A0A087X7A5_POEFO Loading...

E3 ubiquitin-protein ligase TRAF7

AlphaFold DB (A0A3B3TYB4), UniProt , Accession A0A087X7A5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 690 aa.

Structure Viewer

Loading PAE data...

(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	34.8	Very low	32.4	Very low	232 Å²	232	155.8 Å²	155.8	100%	1.143	83%	0.829	S	S	*	*				0	103.1	0	-66.7	158.8	177.4	0	0	106.2
2	S	32.5	Very low	31.9	Very low	112 Å²	112	162.7 Å²	162.7	78%	0.783	84%	0.837	S	S	*	*				63.6	122.9	76	66.2	0	0	0	0	112.2
3	S	32.6	Very low	31.6	Very low	115 Å²	115	159 Å²	159	80%	0.804	84%	0.835	S	S	*	*			cis	-145.6	154.1	14.9	61.4	0	0	0	0	114.8
4	S	33.6	Very low	31.3	Very low	109 Å²	109	153.4 Å²	153.4	76%	0.762	84%	0.835	S	S	*	*			trans	-62.8	155.6	167.7	42.1	0	0	0	0	113.9
5	K	33.8	Very low	31	Very low	204 Å²	204	148.7 Å²	148.7	89%	0.887	84%	0.836	S	S	*	*			trans	-165.7	124.7	142.8	-111.5	163.9	-174.5	178.1	0	113
6	T	31.5	Very low	30.7	Very low	138 Å²	138	145.9 Å²	145.9	85%	0.847	84%	0.838	S	S	*	*			trans	-138.8	138.8	159.6	48.3	0	0	0	0	108.9
7	P	44.1	Very low	30.7	Very low	116 Å²	116	146 Å²	146	75%	0.753	84%	0.841	S	S	*	*			trans	-126.7	133.7	134.4	4.3	17.7	0	0	0	109.5
8	R	30.8	Very low	30.6	Very low	232 Å²	232	143.7 Å²	143.7	88%	0.875	84%	0.843	S	S	*	*				76.5	111.1	70.2	-80.6	-167.1	173.1	-170.6	-0.8	115.2
9	Y	26	Very low	30.5	Very low	191 Å²	191	142.5 Å²	142.5	75%	0.749	84%	0.843	S	S	*	*			trans	49.1	122	134.5	-84	-101.2	0	0	0	120.7	Q11	Y9-Q11 HydrophobicContact CD1-CG 4.11Å; Y9-Q11 HydrophobicContact CE1-CG 4.05Å
10	S	26.9	Very low	30.4	Very low	117 Å²	117	140.4 Å²	140.4	82%	0.818	84%	0.842	S	S	*	*				-133	144.2	113.7	66.2	0	0	0	0	110.1
11	Q	30.2	Very low	30.2	Very low	148 Å²	148	138 Å²	138	69%	0.692	84%	0.838	S	S	*	*			trans	-104.6	147.2	164.9	-73.3	172.7	-45.3	0	0	107.5	Y9	Y9-Q11 HydrophobicContact CD1-CG 4.11Å; Y9-Q11 HydrophobicContact CE1-CG 4.05Å
12	Y	25.6	Very low	29.9	Very low	238 Å²	238	131.6 Å²	131.6	93%	0.933	82%	0.821	S	S	*	*			trans	-135.5	114.7	151.4	-108.3	-81.8	0	0	0	108.9
13	S	28.5	Very low	29.6	Very low	115 Å²	115	132.8 Å²	132.8	80%	0.804	82%	0.824	S	S	*	*			trans	-99.9	140.4	167.5	44.9	0	0	0	0	108.9
14	G	26.7	Very low	29.3	Very low	81 Å²	81	132.7 Å²	132.7	84%	0.835	82%	0.823	S	S	*	*			trans	-170.9	84.5	-178	0	0	0	0	0	109.5
15	G	26.6	Very low	29	Very low	83 Å²	83	135.1 Å²	135.1	86%	0.856	83%	0.826	S	S	*	*			trans	-85.9	146.6	179.9	0	0	0	0	0	112.1
16	A	27.2	Very low	28.7	Very low	104 Å²	104	130.6 Å²	130.6	86%	0.86	82%	0.82	S	S	*	*			trans	-136.2	111.6	166.3	0	0	0	0	0	108.9
17	T	30.2	Very low	28.5	Very low	147 Å²	147	129.4 Å²	129.4	90%	0.902	82%	0.817	S	S	*	*			trans	-90.5	125.5	172.9	46.9	0	0	0	0	109.9
18	A	28.4	Very low	27.8	Very low	105 Å²	105	129.1 Å²	129.1	87%	0.868	82%	0.818	S	S	*	*			trans	-144.7	125.2	165.3	0	0	0	0	0	109.5
19	S	28.7	Very low	28.7	Very low	120 Å²	120	123.9 Å²	123.9	84%	0.839	81%	0.814	S	S	*	*			trans	-116.2	143.1	167.2	55.2	0	0	0	0	108.7
20	A	28.5	Very low	28.7	Very low	101 Å²	101	119.8 Å²	119.8	84%	0.835	81%	0.814	S	S	*	*			trans	-170.3	162.3	153.4	0	0	0	0	0	111.8
21	A	26.9	Very low	28.7	Very low	90 Å²	90	119.7 Å²	119.7	74%	0.744	81%	0.813	S	S	*	*			trans	-18.5	136.2	167.2	0	0	0	0	0	117.3
22	A	28.1	Very low	28.8	Very low	97 Å²	97	118 Å²	118	80%	0.802	82%	0.817	S	S	*	*			cis	65.8	101.7	48	0	0	0	0	0	114
23	T	27.3	Very low	29.7	Very low	138 Å²	138	112.7 Å²	112.7	85%	0.847	81%	0.812	S	S	*	*			trans	-135.3	110.8	157.6	-27.1	0	0	0	0	109
24	S	26.7	Very low	29.9	Very low	112 Å²	112	111.8 Å²	111.8	78%	0.783	81%	0.811	S	S	*	*			trans	-88.3	134.1	170	49.2	0	0	0	0	110.1
25	I	26.7	Very low	30	Very low	160 Å²	160	115.5 Å²	115.5	82%	0.821	81%	0.812	S	S	*	*			trans	-127.9	127.2	157.7	-62.1	-176.2	0	0	0	107.9
26	S	26.5	Very low	30.2	Very low	109 Å²	109	116.9 Å²	116.9	76%	0.762	81%	0.809	S	S	*	*			trans	-138.5	114	-175.8	55.3	0	0	0	0	109.8
27	S	27.1	Very low	30.2	Very low	113 Å²	113	115.4 Å²	115.4	79%	0.79	80%	0.804	S	S	*	*			trans	-159.3	95.8	166.5	57	0	0	0	0	112.5
28	S	29.6	Very low	30.2	Very low	110 Å²	110	115.9 Å²	115.9	77%	0.769	81%	0.807	S	S	*	*			trans	-45.6	-170.7	150.7	-39.4	0	0	0	0	114.4
29	P	50.2	Low	30.2	Very low	122 Å²	122	114 Å²	114	79%	0.792	80%	0.797	S	S	*	*				-138.6	171.6	-66.5	40.4	-23.5	0	0	0	113.7
30	S	25.7	Very low	30.2	Very low	106 Å²	106	116.4 Å²	116.4	74%	0.741	80%	0.8	S	S	*	*			trans	-168.1	109.7	161.4	50	0	0	0	0	109.3
31	S	28.6	Very low	30.2	Very low	114 Å²	114	119.6 Å²	119.6	80%	0.797	80%	0.8	S	S	*	*				83.4	118.5	68.1	71.8	0	0	0	0	113.6
32	S	30.8	Very low	30.1	Very low	112 Å²	112	123.1 Å²	123.1	78%	0.783	80%	0.803	S	S	*	*			trans	-72.5	172.9	167.8	49.5	0	0	0	0	111.8
33	P	45.5	Very low	30	Very low	128 Å²	128	126.7 Å²	126.7	83%	0.831	80%	0.803	S	S	*	*				-130.4	173.1	110.7	38.3	-32.9	0	0	0	112.9
34	A	33.2	Very low	30	Very low	95 Å²	95	125.1 Å²	125.1	79%	0.785	81%	0.805	S	S	*	*			trans	-117.4	150.7	163.9	0	0	0	0	0	108.7
35	D	27.1	Very low	30.2	Very low	159 Å²	159	125.4 Å²	125.4	85%	0.85	80%	0.802	S	S	*	*			trans	-148.8	-175.2	155.5	-147.5	-27.2	0	0	0	109.8
36	S	31.7	Very low	30.2	Very low	112 Å²	112	127.8 Å²	127.8	78%	0.783	81%	0.807	S	S	*	*			trans	-123.9	162.2	-144.9	55.5	0	0	0	0	114
37	G	26	Very low	30.3	Very low	74 Å²	74	125.4 Å²	125.4	76%	0.763	80%	0.799	S	S	*	*			trans	-168.2	121.5	176.4	0	0	0	0	0	112.3
38	V	31.6	Very low	31.3	Very low	157 Å²	157	125.8 Å²	125.8	95%	0.952	80%	0.799	S	S	*	*			trans	-132.3	131.5	177.8	176.4	0	0	0	0	107.9
39	G	29	Very low	31.3	Very low	65 Å²	65	126 Å²	126	67%	0.67	80%	0.796	S	S	*	*			trans	170.8	96	174	0	0	0	0	0	118.7
40	N	28.5	Very low	30.2	Very low	170 Å²	170	129.2 Å²	129.2	91%	0.909	80%	0.798	S	S	*	*			trans	69.8	152.4	139.2	-66.4	-2.9	0	0	0	123.8
41	M	26.7	Very low	30.3	Very low	168 Å²	168	128.6 Å²	128.6	83%	0.828	79%	0.793	S	S	*	*			trans	-96.3	154.9	-179.1	-55.5	166.8	-75.2	0	0	112.1
42	M	26.3	Very low	30.4	Very low	164 Å²	164	128.4 Å²	128.4	81%	0.808	79%	0.792	S	S	*	*				161.9	122.1	124.1	-87.9	174.3	169.6	0	0	107.6
43	E	26.3	Very low	30.2	Very low	172 Å²	172	129.3 Å²	129.3	80%	0.804	80%	0.798	S	S	*	*				74.7	107.7	56.8	-168	177.5	-129.1	0	0	113.4
44	A	25.6	Very low	29.3	Very low	106 Å²	106	127.1 Å²	127.1	88%	0.876	80%	0.798	S	S	*	*			trans	-163.9	100.9	160.2	0	0	0	0	0	110.8
45	T	31.4	Very low	29	Very low	117 Å²	117	127.1 Å²	127.1	72%	0.718	80%	0.798	S	S	*	*			trans	-89.2	152.8	171.7	-54.8	0	0	0	0	110.2
46	F	26.3	Very low	29.1	Very low	211 Å²	211	129.1 Å²	129.1	93%	0.925	80%	0.8	S	S	*	*			trans	-151.8	133.4	146.9	-103.9	-68.4	0	0	0	114.6
47	G	28.5	Very low	28.9	Very low	59 Å²	59	128.2 Å²	128.2	61%	0.608	80%	0.799	S	S	*	*			trans	-93.4	-143.2	157.7	0	0	0	0	0	110.4
48	P	47.9	Very low	29	Very low	121 Å²	121	133.9 Å²	133.9	79%	0.786	81%	0.806	S	S	*	*			cis	-119.9	-153.3	14.8	31.7	-8.4	0	0	0	111.2
49	T	30.8	Very low	28.8	Very low	114 Å²	114	131.9 Å²	131.9	70%	0.699	80%	0.798	S	S	*	*			cis	-157.1	-165.9	6.5	-9.8	0	0	0	0	106.8
50	F	26.5	Very low	28.7	Very low	190 Å²	190	134.1 Å²	134.1	83%	0.833	80%	0.804	S	S	*	*			cis	-149.3	178.8	4.8	-140.5	-78.5	0	0	0	108.2
51	S	27.3	Very low	28.7	Very low	92 Å²	92	130.4 Å²	130.4	64%	0.643	79%	0.791	S	S	*	*			trans	-139.2	149.5	-170.4	60.5	0	0	0	0	118.5
52	S	30.8	Very low	28.7	Very low	110 Å²	110	129.5 Å²	129.5	77%	0.769	80%	0.795	S	S	*	*			trans	68.5	117.8	137.1	63.9	0	0	0	0	124.8
53	S	28.1	Very low	28.7	Very low	132 Å²	132	131.4 Å²	131.4	92%	0.923	80%	0.795	S	S	*	*			trans	-177.7	147.8	143.7	59.2	0	0	0	0	112
54	G	25.6	Very low	28.8	Very low	81 Å²	81	130.9 Å²	130.9	84%	0.835	79%	0.79	S	S	*	*			cis	144.3	74.5	-19	0	0	0	0	0	117.6
55	A	27.6	Very low	29	Very low	95 Å²	95	133.1 Å²	133.1	79%	0.785	78%	0.782	S	S	*	*			trans	-157	136.7	173.6	0	0	0	0	0	117.7
56	K	28.2	Very low	28.8	Very low	202 Å²	202	135.5 Å²	135.5	88%	0.878	79%	0.785	S	S	*	*			trans	50.5	120.8	155.3	-61.1	-177.2	-179.3	-177.1	0	119.3
57	A	28.1	Very low	28.8	Very low	92 Å²	92	134.7 Å²	134.7	76%	0.76	78%	0.776	S	S	*	*				71.7	136.5	69.7	0	0	0	0	0	113.2
58	E	26.8	Very low	28.8	Very low	194 Å²	194	141.3 Å²	141.3	91%	0.907	78%	0.782	S	S	*	*			cis	-140	-162.7	35.1	-60	-175.8	135.1	0	0	116.1
59	S	27.9	Very low	28	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	78%	0.78	S	S	*	*			trans	-63	177.6	-174.2	71.6	0	0	0	0	117.1
60	S	27.9	Very low	28.2	Very low	113 Å²	113	141.4 Å²	141.4	79%	0.79	78%	0.783	S	S	*	*			cis	-155.6	172.5	13.8	-164	0	0	0	0	112.9
61	S	27.8	Very low	28.3	Very low	92 Å²	92	137 Å²	137	64%	0.643	78%	0.776	S	S	*	*			trans	-99.1	157.3	-176.5	61.8	0	0	0	0	115.3
62	T	27.6	Very low	28.4	Very low	148 Å²	148	137.4 Å²	137.4	91%	0.908	78%	0.779	S	S	*	*			trans	-159.2	175.1	139	3.8	0	0	0	0	111.4
63	Y	25.9	Very low	28.2	Very low	204 Å²	204	137.6 Å²	137.6	80%	0.8	78%	0.78	S	S	*	*			trans	-146.9	152.7	-146.9	-134.5	-93.1	0	0	0	114.2
64	K	29	Very low	28.3	Very low	161 Å²	161	136.1 Å²	136.1	70%	0.7	77%	0.77	S	S	*	*			trans	69.8	117.1	158.1	-96.5	161.7	-172.4	170.9	0	122.5
65	Q	29.3	Very low	28.3	Very low	153 Å²	153	138.5 Å²	138.5	72%	0.715	77%	0.768	S	S	*	*				32.2	130.2	118.3	-59	173.9	-38.4	0	0	120.6
66	H	27	Very low	28.3	Very low	168 Å²	168	141.3 Å²	141.3	78%	0.778	77%	0.769	S	S	*	*				-172.3	159.4	99.2	-109.7	-84.1	0	0	0	117.7
67	R	27	Very low	28.2	Very low	194 Å²	194	137.8 Å²	137.8	73%	0.732	77%	0.765	S	S	*	*			trans	-39.5	155.6	176.8	-87.3	176.8	167.9	171.8	-2.9	122.1
68	R	27.2	Very low	28	Very low	198 Å²	198	144.3 Å²	144.3	75%	0.747	77%	0.771	S	S	*	*			trans	87.4	109.6	136.1	-83.4	174.2	178.1	-172.9	-3.6	122.1
69	T	30.9	Very low	28	Very low	121 Å²	121	139.8 Å²	139.8	74%	0.742	76%	0.761	S	S	*	*				31.6	140.3	117.8	57.3	0	0	0	0	120.2
70	P	36.2	Very low	28.3	Very low	115 Å²	115	139.7 Å²	139.7	75%	0.747	76%	0.757	S	S	*	*				-158.2	168.6	63	44.2	-23.7	0	0	0	121.5
71	S	27.7	Very low	28.4	Very low	98 Å²	98	144.7 Å²	144.7	69%	0.685	76%	0.759	S	S	*	*			trans	59.6	133	138.1	63	0	0	0	0	126.6
72	S	29.1	Very low	28.5	Very low	101 Å²	101	146 Å²	146	71%	0.706	76%	0.759	S	S	*	*			trans	75.3	117.9	134.2	61.7	0	0	0	0	123.9
73	S	27.6	Very low	28.6	Very low	113 Å²	113	145.6 Å²	145.6	79%	0.79	75%	0.751	S	S	*	*			trans	51.7	153	131	-38.3	0	0	0	0	121
74	S	29.1	Very low	28.7	Very low	102 Å²	102	142.7 Å²	142.7	71%	0.713	75%	0.749	S	S	*	*			cis	-160.8	156.5	16.4	-25	0	0	0	0	113.2
75	T	27.4	Very low	28.7	Very low	130 Å²	130	142.8 Å²	142.8	80%	0.798	76%	0.757	S	S	*	*			trans	65.5	137.6	142	-40.9	0	0	0	0	123.2
76	L	27	Very low	28.7	Very low	155 Å²	155	138.7 Å²	138.7	81%	0.812	76%	0.756	S	S	*	*			trans	-28.1	154.9	160.1	-53.7	160.8	0	0	0	116.2
77	T	25.6	Very low	28.7	Very low	128 Å²	128	139.3 Å²	139.3	79%	0.785	76%	0.762	S	S	*	*				-162.6	156.2	57.9	45.7	0	0	0	0	116.9
78	Y	23.2	Very low	29.6	Very low	229 Å²	229	135.5 Å²	135.5	90%	0.898	76%	0.762	S	S	*	*			trans	17.5	142.4	150.1	-133.1	-104.1	0	0	0	124
79	S	27.4	Very low	31	Very low	98 Å²	98	131.1 Å²	131.1	69%	0.685	76%	0.759	S	S	*	*			trans	-76.4	171.3	177.3	-36.4	0	0	0	0	114.9
80	P	35.3	Very low	30.7	Very low	112 Å²	112	133.7 Å²	133.7	73%	0.727	77%	0.767	S	S	*	*				-143.5	152.1	87.3	46.4	-32.2	0	0	0	113.7
81	R	29.3	Very low	30.2	Very low	218 Å²	218	131.7 Å²	131.7	82%	0.823	77%	0.767	S	S	*	*				65.9	142.4	106.2	-73.3	-161.8	169.1	172.4	-1.3	117.4
82	D	30	Very low	30.3	Very low	121 Å²	121	133.5 Å²	133.5	65%	0.647	77%	0.774	S	S	*	*			cis	-131.7	-169.7	-4.6	-76	-49.3	0	0	0	107.7
83	D	30.2	Very low	30.5	Very low	139 Å²	139	134 Å²	134	74%	0.743	78%	0.775	S	S	*	*			cis	-160.4	172.1	18.7	-134	-28.7	0	0	0	112.5
84	D	28.1	Very low	30.4	Very low	143 Å²	143	138.5 Å²	138.5	77%	0.765	77%	0.774	S	S	*	*			trans	55.2	135.6	177.3	-71.5	-35.6	0	0	0	118.3
85	D	28.7	Very low	30.2	Very low	162 Å²	162	143.8 Å²	143.8	87%	0.866	78%	0.779	S	S	*	*			cis	-114.5	150.9	15.8	-108.4	-54.1	0	0	0	114.1
86	G	27.9	Very low	30.2	Very low	67 Å²	67	141.4 Å²	141.4	69%	0.691	77%	0.767	S	S	*	*			trans	-93.7	115	-164.7	0	0	0	0	0	118.6
87	M	28.8	Very low	30.1	Very low	181 Å²	181	140.9 Å²	140.9	89%	0.892	77%	0.765	S	S	*	*				28.8	154.2	124.7	-75.2	-70.6	174.1	0	0	123.3
88	P	44.6	Very low	30.3	Very low	114 Å²	114	139.9 Å²	139.9	74%	0.74	76%	0.764	S	S	*	*			trans	-125	-90.1	-132.6	21.8	5.3	0	0	0	119.8
89	P	56.3	Low	30.4	Very low	106 Å²	106	133.4 Å²	133.4	69%	0.688	76%	0.758	S	S	*	*			trans	-108.7	179.4	-149.2	44	-34.4	0	0	0	114.1
90	I	26.3	Very low	30.4	Very low	176 Å²	176	136 Å²	136	90%	0.903	76%	0.762	S	S	*	*			trans	-176.7	150.2	147.3	-101.7	150.3	0	0	0	112.4
91	G	24.1	Very low	30	Very low	73 Å²	73	135.6 Å²	135.6	75%	0.753	76%	0.762	S	S	*	*			trans	102.9	108.7	136.2	0	0	0	0	0	120.6
92	T	30.8	Very low	29.8	Very low	136 Å²	136	133.3 Å²	133.3	83%	0.834	76%	0.764	S	S	*	*			trans	-92.3	150.3	150.9	61.6	0	0	0	0	109.5
93	P	32.8	Very low	29.6	Very low	110 Å²	110	138.8 Å²	138.8	71%	0.714	78%	0.776	S	S	*	*				-160.1	169.6	94.9	41.3	-22.4	0	0	0	118.2
94	R	24.8	Very low	29.3	Very low	208 Å²	208	137.2 Å²	137.2	79%	0.785	78%	0.776	S	S	*	*			trans	62.1	118.6	143.2	-79.3	174.3	-179	-134.5	0.1	120
95	R	24.7	Very low	29.3	Very low	214 Å²	214	137.2 Å²	137.2	81%	0.808	78%	0.775	S	S	*	*				77.3	143.1	95.8	-78.3	-166.4	-179.9	-162.9	0.1	115.1
96	S	27.4	Very low	29.4	Very low	79 Å²	79	137 Å²	137	55%	0.552	77%	0.769	S	S	*	*			cis	-165.9	176.4	-6.7	43.7	0	0	0	0	112
97	D	25.5	Very low	29.4	Very low	145 Å²	145	138.7 Å²	138.7	78%	0.775	77%	0.77	S	S	*	*			trans	82.3	139.4	155.9	-52.9	-50.6	0	0	0	118.4
98	S	29.6	Very low	29.2	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	77%	0.767	S	S	*	*			cis	-158.7	143.4	-8.2	43.7	0	0	0	0	114.3
99	A	26.1	Very low	28.2	Very low	93 Å²	93	137.1 Å²	137.1	77%	0.769	76%	0.76	S	S	*	*			trans	30.1	151.6	142	0	0	0	0	0	122.2
100	I	27.1	Very low	26.6	Very low	152 Å²	152	139.1 Å²	139.1	78%	0.779	77%	0.765	S	S	*	*			cis	-148.7	146.3	37.1	-72.4	172.5	0	0	0	112
101	S	26.1	Very low	26.4	Very low	104 Å²	104	138.4 Å²	138.4	73%	0.727	76%	0.759	S	S	*	*			trans	21.8	142.7	154.3	-56.3	0	0	0	0	121.6
102	I	26.3	Very low	26.4	Very low	169 Å²	169	139.3 Å²	139.3	87%	0.867	75%	0.754	S	S	*	*			cis	-132.3	155.9	49	-69.9	175.2	0	0	0	114
103	R	25.9	Very low	26.3	Very low	236 Å²	236	140.3 Å²	140.3	89%	0.891	75%	0.754	S	S	*	*			trans	-66.5	156.6	-177.9	-64.3	169.2	-178.2	161.3	-2.1	114.3
104	S	23.8	Very low	25.9	Very low	107 Å²	107	146.3 Å²	146.3	75%	0.748	76%	0.762	S	S	*	*			cis	-166.9	151.1	-20.9	-168.2	0	0	0	0	110.3
105	L	28.1	Very low	26.3	Very low	143 Å²	143	141.9 Å²	141.9	75%	0.749	76%	0.763	S	S	*	*			trans	-144.8	162.4	-178.7	-60.5	175.2	0	0	0	108.2
106	H	30	Very low	26.3	Very low	158 Å²	158	137.7 Å²	137.7	73%	0.731	76%	0.761	S	S	*	*			cis	-162.1	170.6	-6.4	-125.7	-12	0	0	0	110.7
107	S	28.7	Very low	26.2	Very low	102 Å²	102	144.8 Å²	144.8	71%	0.713	78%	0.783	S	S	*	*			trans	65	176.7	148.6	63.5	0	0	0	0	121
108	E	23.5	Very low	26.1	Very low	176 Å²	176	142 Å²	142	82%	0.822	78%	0.775	S	S	*	*			trans	75.9	148.8	173.4	-68.4	-153.1	-145	0	0	119.4
109	S	24.4	Very low	26.2	Very low	86 Å²	86	142.5 Å²	142.5	60%	0.601	77%	0.768	S	S	*	*			cis	-164.2	167.7	-25	54.2	0	0	0	0	111.2
110	N	21.9	Very low	26.2	Very low	147 Å²	147	145.8 Å²	145.8	79%	0.786	77%	0.767	S	S	*	*			trans	45.8	137.3	152.6	-92.9	-30.2	0	0	0	124.3
111	M	23	Very low	26.4	Very low	161 Å²	161	146.7 Å²	146.7	79%	0.793	77%	0.768	S	S	*	*			trans	70.3	115.3	139.2	-65.9	-99.1	73.2	0	0	122.5
112	S	23.4	Very low	26.6	Very low	92 Å²	92	150.2 Å²	150.2	64%	0.643	77%	0.773	S	S	*	*				89.4	113.5	129.4	-151.5	0	0	0	0	122.1
113	L	30.3	Very low	27	Very low	157 Å²	157	151.2 Å²	151.2	82%	0.822	77%	0.774	S	S	*	*			trans	35.4	95.3	134.2	-57.8	174.7	0	0	0	119.9
114	R	23.2	Very low	27.6	Very low	237 Å²	237	146.1 Å²	146.1	89%	0.894	76%	0.76	S	S	*	*				171.2	138.4	99.3	-97.2	177.6	171.3	169.2	-1.5	114.3
115	S	32.7	Very low	28.2	Very low	115 Å²	115	148.3 Å²	148.3	80%	0.804	76%	0.764	S	S	*	*			trans	39.5	85	138.3	-175.8	0	0	0	0	119.9
116	T	24.4	Very low	29.4	Very low	125 Å²	125	146.8 Å²	146.8	77%	0.767	76%	0.76	S	S	*	*			trans	-146.4	118.2	131.9	21.9	0	0	0	0	109	S118	T116-S118 PolarHBondContact O-N 2.74Å
117	F	26.8	Very low	30.9	Very low	229 Å²	229	144.8 Å²	144.8	100%	1.004	75%	0.752	S	S	*	*			trans	-81	70.3	170.4	-110.4	-84	0	0	0	109.4	L119	F117-L119 PolarHBondContact O-N 3.34Å
118	S	23.3	Very low	32.6	Very low	87 Å²	87	141.5 Å²	141.5	61%	0.608	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-71	123	169.4	48.2	0	0	0	0	109.4	T116 H120	T116-S118 PolarHBondContact O-N 2.74Å; S118-H120 PolarHBondContact O-N 2.8Å
119	L	31.8	Very low	34.9	Very low	116 Å²	116	137 Å²	137	61%	0.607	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-57.8	122.3	171.9	-70.7	158.7	0	0	0	109.4	F117 T167	F117-L119 PolarHBondContact O-N 3.34Å; L119-T167 HydrophobicContact CD1-CG2 4.39Å
120	H	25.2	Very low	37.6	Very low	163 Å²	163	134.1 Å²	134.1	76%	0.755	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-95.5	127.1	152.1	-93.8	-69.1	0	0	0	108.8	S118 E122	S118-H120 PolarHBondContact O-N 2.8Å; H120-E122 PolarHBondContact O-N 2.9Å
121	E	32.4	Very low	40.5	Very low	171 Å²	171	129.6 Å²	129.6	80%	0.799	66%	0.659	S	S	*	*			trans	-83.9	90.6	171.6	-67.2	168.9	132.6	0	0	107.3	E123	E121-E123 PolarHBondContact O-N 2.7Å
122	E	29.1	Very low	43.2	Very low	177 Å²	177	124.1 Å²	124.1	83%	0.827	64%	0.639	S	S	*	*			trans	-67.5	119.3	150.4	-69.3	-178	153.6	0	0	106.5	H120 E124	H120-E122 PolarHBondContact O-N 2.9Å; E122-E124 VanDerWaalsContact C-N 3.28Å; E122-E124 PolarHBondContact O-N 2.93Å
123	E	35.3	Very low	45.9	Very low	191 Å²	191	127 Å²	127	89%	0.893	64%	0.642	S	S	*	*			trans	-67.9	89.1	174.6	-68.4	-176.2	117.6	0	0	108.7	E121 D125	E121-E123 PolarHBondContact O-N 2.7Å; E123-D125 VanDerWaalsContact C-N 3.32Å; E123-D125 PolarHBondContact O-N 2.87Å
124	E	38.1	Very low	48.1	Very low	128 Å²	128	125.4 Å²	125.4	60%	0.598	64%	0.642	S	S	*	*			trans	-63.2	93	173.1	-173	-172.7	-141.7	0	0	108.5	E122 T126 K149	E122-E124 VanDerWaalsContact C-N 3.28Å; E122-E124 PolarHBondContact O-N 2.93Å; E124-T126 PolarHBondContact O-N 2.88Å; E124-T126 VanDerWaalsContact O-N 3.1Å; E124-K149 IonicContact OE1-NZ 3.58Å; E124-K149 PolarHBondContact OE1-NZ 2.82Å; E124-K149 IonicContact OE2-NZ 3.09Å; E124-K149 PolarHBondContact OE2-NZ 2.75Å
125	D	37.1	Very low	50.8	Low	153 Å²	153	115.9 Å²	115.9	82%	0.818	61%	0.61	S	S	*	*			trans	-47	116.4	178.5	-139.7	-12.2	0	0	0	109	E123 E127	E123-D125 VanDerWaalsContact C-N 3.32Å; E123-D125 PolarHBondContact O-N 2.87Å; D125-E127 PolarHBondContact O-N 3.21Å
126	T	52.9	Low	53.1	Low	111 Å²	111	113.6 Å²	113.6	68%	0.681	59%	0.594	S	S	*	*			trans	-80.8	84.3	-157.4	15.6	0	0	0	0	111	E124	E124-T126 PolarHBondContact O-N 2.88Å; E124-T126 VanDerWaalsContact O-N 3.1Å
127	E	61.3	Low	55.6	Low	117 Å²	117	113.7 Å²	113.7	55%	0.547	59%	0.594	S	S	.	*			trans	-43.7	130.9	-178.8	-75.1	-159.6	150.1	0	0	111.7	D125 Q129 R239	D125-E127 PolarHBondContact O-N 3.21Å; E127-Q129 PolarHBondContact O-N 2.91Å; E127-R239 IonicContact OE2-CZ 2.76Å; E127-R239 IonicContact OE2-NE 3.18Å; E127-R239 IonicContact OE2-NH1 2.67Å; E127-R239 PolarHBondContact OE2-NH1 3.49Å
128	P	64.2	Low	58.2	Low	32 Å²	32	111.7 Å²	111.7	21%	0.208	59%	0.585	C	S	.	*			trans	-55	115.2	178.1	-24	31.1	0	0	0	111	C202 R239	P128-C202 HydrophobicContact CB-CB 4.23Å; P128-R239 PolarHBondContact O-NH2 2.88Å
129	Q	71.6	Confident	61.1	Low	81 Å²	81	108.5 Å²	108.5	38%	0.379	56%	0.561	S	S	.	*			trans	-127.2	81	177.8	-170.9	171	-3.5	0	0	110.1	E127 F131 I196	E127-Q129 PolarHBondContact O-N 2.91Å; Q129-F131 HydrophobicContact CG-CE2 4.13Å; Q129-F131 HydrophobicContact CG-CZ 4.2Å; Q129-I196 HydrophobicContact CG-CG2 4.16Å
130	V	81	Confident	63.7	Low	27 Å²	27	104.2 Å²	104.2	16%	0.164	54%	0.541	C	S	.	.			trans	-93.6	112.2	174.5	-172.8	0	0	0	0	108.2	I196 H197 H223 V225	V130-I196 CarbonylContact O-C 3.52Å; V130-I196 VanDerWaalsContact O-CA 3.3Å; V130-I196 WeakPolarHBondContact O-CA 3.49Å; V130-H197 PolarHBondContact O-N 3.16Å; V130-H223 HydrophobicContact CG2-CB 3.73Å; V130-H223 WeakPolarHBondContact CG2-O 2.84Å; V130-V225 HydrophobicContact CG1-CG2 4.18Å
131	F	82.8	Confident	66.5	Low	52 Å²	52	96.5 Å²	96.5	23%	0.228	51%	0.505	C	S	.	.	B	Isolated β-bridge	trans	-76.6	140.8	172.6	-62.8	-88.8	0	0	0	110.3	Q129 E133 P135 V147 L194 F195 I196	Q129-F131 HydrophobicContact CG-CE2 4.13Å; Q129-F131 HydrophobicContact CG-CZ 4.2Å; F131-E133 WeakPolarHBondContact CB-O 3.45Å; F131-P135 HydrophobicContact CD2-CG 4.27Å; F131-P135 HydrophobicContact CE2-CG 4.29Å; F131-P135 HydrophobicContact CG-CG 4.44Å; F131-P135 HydrophobicContact CZ-CG 4.48Å; F131-V147 HydrophobicContact CE2-CG2 4.28Å; F131-V147 HydrophobicContact CZ-CB 4.38Å; F131-V147 HydrophobicContact CZ-CG2 3.89Å; F131-L194 HydrophobicContact CD1-CB 4.25Å; F131-L194 HydrophobicContact CE1-CB 4.07Å; F131-L194 HydrophobicContact CE1-CD1 3.86Å; F131-F195 WeakPolarHBondContact CA-O 3.2Å; F131-I196 HydrophobicContact CD1-CG2 3.63Å; F131-I196 HydrophobicContact CE1-CG2 3.95Å; F131-I196 HydrophobicContact CG-CG2 4.18Å
132	A	80.8	Confident	69	Low	45 Å²	45	94.8 Å²	94.8	37%	0.372	50%	0.497	S	S	.	.	S	Bend	trans	-77.5	-28	176.9	0	0	0	0	0	112.8	F195 T233	A132-F195 PolarHBondContact N-O 3.19Å; A132-T233 HydrophobicContact CB-CG2 3.41Å; A132-T233 VanDerWaalsContact CB-CG2 3.41Å
133	E	79	Confident	71.5	Confident	153 Å²	153	89 Å²	89	72%	0.715	47%	0.471	S	S	*	.	S	Bend	trans	-124.6	144.8	169.8	-67.5	-171	169.2	0	0	109.7	F131 P135	F131-E133 WeakPolarHBondContact CB-O 3.45Å; E133-P135 WeakPolarHBondContact O-CD 3.49Å
134	P	76.6	Confident	73.8	Confident	124 Å²	124	82.1 Å²	82.1	81%	0.805	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-64.4	122.1	179.3	26	-33.5	0	0	0	110.6
135	P	79.9	Confident	76	Confident	37 Å²	37	80.9 Å²	80.9	24%	0.24	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-65.2	143.6	-174.6	25.7	-34.4	0	0	0	111.7	F131 E133 V137 V147 L194	F131-P135 HydrophobicContact CD2-CG 4.27Å; F131-P135 HydrophobicContact CE2-CG 4.29Å; F131-P135 HydrophobicContact CG-CG 4.44Å; F131-P135 HydrophobicContact CZ-CG 4.48Å; E133-P135 WeakPolarHBondContact O-CD 3.49Å; P135-V137 PolarHBondContact O-N 3.15Å; P135-V147 HydrophobicContact CB-CG2 3.7Å; P135-V147 HydrophobicContact CG-CG2 3.5Å; P135-L194 HydrophobicContact CB-CD1 4.13Å; P135-L194 HydrophobicContact CB-CD2 4.47Å
136	S	80.8	Confident	78.2	Confident	66 Å²	66	77.4 Å²	77.4	46%	0.462	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-59.7	135.7	-179.3	-170.3	0	0	0	0	111.5	K138 L139	S136-K138 PolarHBondContact O-N 3.27Å; S136-L139 PolarHBondContact O-N 3.26Å
137	V	78.4	Confident	79.7	Confident	127 Å²	127	73.2 Å²	73.2	77%	0.77	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-55.5	-23.6	177.5	-171.1	0	0	0	0	112.5	P135 L139 C140	P135-V137 PolarHBondContact O-N 3.15Å; V137-L139 VanDerWaalsContact C-N 3.27Å; V137-L139 PolarHBondContact O-N 2.85Å; V137-C140 PolarHBondContact O-N 3.23Å
138	K	80.3	Confident	80.9	Confident	188 Å²	188	68.6 Å²	68.6	82%	0.817	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-68.2	-20.6	174	-65	-175.6	179.1	-179.3	0	114.3	S136	S136-K138 PolarHBondContact O-N 3.27Å
139	L	84.4	Confident	81.9	Confident	19 Å²	19	72.8 Å²	72.8	10%	0.099	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-97	8.4	175.9	-59.6	177.4	0	0	0	112.3	S136 V137 V147 F148 Q190 I191 L194	S136-L139 PolarHBondContact O-N 3.26Å; V137-L139 VanDerWaalsContact C-N 3.27Å; V137-L139 PolarHBondContact O-N 2.85Å; L139-V147 WeakPolarHBondContact O-CA 3.35Å; L139-F148 VanDerWaalsContact C-CD2 3.46Å; L139-F148 WeakPolarHBondContact O-CD2 3.33Å; L139-F148 PolarHBondContact O-N 3.11Å; L139-F148 VanDerWaalsContact O-N 3.09Å; L139-Q190 HydrophobicContact CD2-CB 3.98Å; L139-I191 HydrophobicContact CB-CG1 4.32Å; L139-I191 HydrophobicContact CD1-CG1 4.49Å; L139-I191 HydrophobicContact CD2-CG1 4.37Å; L139-L194 HydrophobicContact CD1-CD1 4.23Å; L139-L194 HydrophobicContact CD1-CD2 4.06Å; L139-L194 HydrophobicContact CD1-CG 4.4Å
140	C	86.6	Confident	82.4	Confident	27 Å²	27	72.8 Å²	72.8	18%	0.182	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-101.2	138.7	176.1	-65.1	0	0	0	0	111.9	V137 Q142 N146 F148	V137-C140 PolarHBondContact O-N 3.23Å; C140-Q142 PolarHBondContact O-N 2.81Å; C140-N146 CarbonylContact C-O 3.6Å; C140-N146 VanDerWaalsContact CA-O 3.29Å; C140-N146 WeakPolarHBondContact CA-O 3.15Å; C140-F148 WeakPolarHBondContact O-CZ 3.27Å
141	C	85.1	Confident	82.7	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	39%	0.394	C	S	.	.			trans	-75.3	122.1	177.3	-178.1	0	0	0	0	111.1	L143 C144 C145 N146 F148 C161	C141-L143 PolarHBondContact O-N 2.78Å; C141-C144 PolarHBondContact O-N 3.34Å; C141-C145 WeakPolarHBondContact O-CA 3.22Å; C141-C145 PolarHBondContact O-N 3.24Å; C141-N146 PolarHBondContact N-O 2.86Å; C141-F148 HydrophobicContact CB-CD1 3.49Å; C141-F148 VanDerWaalsContact CB-CD1 3.49Å; C141-F148 HydrophobicContact CB-CE1 3.59Å; C141-F148 HydrophobicContact CB-CG 4.27Å; C141-F148 HydrophobicContact CB-CZ 4.43Å; C141-C161 WeakPolarHBondContact CB-SG 3.38Å; C141-C161 VanDerWaalsContact SG-SG 3.65Å
142	Q	83.6	Confident	82.9	Confident	136 Å²	136	69.3 Å²	69.3	64%	0.636	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.9	179.8	-65	-172.2	-3.7	0	0	114.5	C140 P172	C140-Q142 PolarHBondContact O-N 2.81Å; Q142-P172 HydrophobicContact CB-CG 4.47Å
143	L	82.9	Confident	83.1	Confident	54 Å²	54	69.5 Å²	69.5	28%	0.283	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-21.8	176.2	-72.7	173.5	0	0	0	114.4	C141 F160 C164 P172 L178	C141-L143 PolarHBondContact O-N 2.78Å; L143-F160 HydrophobicContact CD1-CB 4.23Å; L143-F160 HydrophobicContact CD1-CD1 3.61Å; L143-F160 HydrophobicContact CD1-CE1 4.14Å; L143-F160 HydrophobicContact CD1-CG 3.88Å; L143-F160 HydrophobicContact CG-CD1 3.8Å; L143-F160 HydrophobicContact CG-CE1 4.07Å; L143-C164 HydrophobicContact CB-CB 3.86Å; L143-C164 HydrophobicContact CD1-CB 3.88Å; L143-P172 HydrophobicContact CD2-CG 3.98Å; L143-P172 HydrophobicContact CG-CG 4.32Å; L143-L178 HydrophobicContact CD1-CD1 4.06Å
144	C	83.6	Confident	83.4	Confident	47 Å²	47	62.4 Å²	62.4	32%	0.318	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	-0.2	179.6	68.8	0	0	0	0	114.9	C141 N146	C141-C144 PolarHBondContact O-N 3.34Å; C144-N146 PolarHBondContact O-N 2.8Å
145	C	82.4	Confident	83.6	Confident	102 Å²	102	60.4 Å²	60.4	69%	0.689	33%	0.33	S	S	*	.	S	Bend	trans	57	9.8	177.7	-58.8	0	0	0	0	116.3	C141	C141-C145 WeakPolarHBondContact O-CA 3.22Å; C141-C145 PolarHBondContact O-N 3.24Å
146	N	83.2	Confident	83.7	Confident	80 Å²	80	60.4 Å²	60.4	43%	0.428	33%	0.33	S	S	.	.	S	Bend	trans	-102.4	166.1	172.9	-55	-37.1	0	0	0	110	C140 C141 C144 K219	C140-N146 CarbonylContact C-O 3.6Å; C140-N146 VanDerWaalsContact CA-O 3.29Å; C140-N146 WeakPolarHBondContact CA-O 3.15Å; C141-N146 PolarHBondContact N-O 2.86Å; C144-N146 PolarHBondContact O-N 2.8Å; N146-K219 PolarHBondContact OD1-NZ 2.79Å
147	V	85.9	Confident	83.7	Confident	23 Å²	23	59.7 Å²	59.7	14%	0.139	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-54.5	142.3	170.2	-180	0	0	0	0	110.3	F131 P135 L139 K149 I191 L194	F131-V147 HydrophobicContact CE2-CG2 4.28Å; F131-V147 HydrophobicContact CZ-CB 4.38Å; F131-V147 HydrophobicContact CZ-CG2 3.89Å; P135-V147 HydrophobicContact CB-CG2 3.7Å; P135-V147 HydrophobicContact CG-CG2 3.5Å; L139-V147 WeakPolarHBondContact O-CA 3.35Å; V147-K149 PolarHBondContact O-N 3.04Å; V147-K149 VanDerWaalsContact O-N 3.16Å; V147-I191 HydrophobicContact CG1-CD1 3.89Å; V147-I191 HydrophobicContact CG1-CG1 3.9Å; V147-I191 HydrophobicContact CG1-CG2 3.87Å; V147-L194 HydrophobicContact CG1-CD1 4.08Å
148	F	86.2	Confident	84.1	Confident	20 Å²	20	56.9 Å²	56.9	9%	0.088	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-61	119.1	-174.8	-60.6	-86.8	0	0	0	112.6	L139 C140 C141 P151 T159 V187 I191	L139-F148 VanDerWaalsContact C-CD2 3.46Å; L139-F148 WeakPolarHBondContact O-CD2 3.33Å; L139-F148 PolarHBondContact O-N 3.11Å; L139-F148 VanDerWaalsContact O-N 3.09Å; C140-F148 WeakPolarHBondContact O-CZ 3.27Å; C141-F148 HydrophobicContact CB-CD1 3.49Å; C141-F148 VanDerWaalsContact CB-CD1 3.49Å; C141-F148 HydrophobicContact CB-CE1 3.59Å; C141-F148 HydrophobicContact CB-CG 4.27Å; C141-F148 HydrophobicContact CB-CZ 4.43Å; F148-P151 HydrophobicContact CB-CB 3.88Å; F148-P151 HydrophobicContact CB-CG 4.38Å; F148-P151 HydrophobicContact CD1-CB 4.35Å; F148-P151 HydrophobicContact CG-CB 4.13Å; F148-T159 HydrophobicContact CE1-CG2 4.1Å; F148-T159 WeakPolarHBondContact CE1-O 3.16Å; F148-T159 HydrophobicContact CZ-CG2 4.24Å; F148-V187 HydrophobicContact CD2-CG1 3.69Å; F148-V187 HydrophobicContact CE2-CG1 4.06Å; F148-V187 HydrophobicContact CG-CG1 4.38Å; F148-I191 HydrophobicContact CB-CD1 3.64Å; F148-I191 HydrophobicContact CD2-CD1 4Å; F148-I191 HydrophobicContact CG-CD1 4.32Å
149	K	84.3	Confident	84.4	Confident	120 Å²	120	49.4 Å²	49.4	52%	0.522	28%	0.282	S	S	.	.	S	Bend	trans	-86.7	119.1	158.4	-75.4	-164.8	174.4	-164.4	0	108.1	E124 V147 C161	E124-K149 IonicContact OE1-NZ 3.58Å; E124-K149 PolarHBondContact OE1-NZ 2.82Å; E124-K149 IonicContact OE2-NZ 3.09Å; E124-K149 PolarHBondContact OE2-NZ 2.75Å; V147-K149 PolarHBondContact O-N 3.04Å; V147-K149 VanDerWaalsContact O-N 3.16Å; K149-C161 PolarHBondContact N-SG 3.28Å; K149-C161 WeakPolarHBondContact O-CA 3.4Å; K149-C161 WeakPolarHBondContact O-CB 3.26Å
150	D	83.4	Confident	84.7	Confident	82 Å²	82	48.6 Å²	48.6	44%	0.439	28%	0.278	S	S	.	.	S	Bend	trans	51.8	73.4	179	-174.8	16	0	0	0	113.4	C161 R162	D150-C161 CarbonylContact O-C 3.53Å; D150-R162 HydrophobicContact CB-CB 4.44Å; D150-R162 VanDerWaalsContact CG-NH2 3.29Å; D150-R162 PolarHBondContact O-N 2.73Å; D150-R162 IonicContact OD1-CZ 2.88Å; D150-R162 IonicContact OD1-NE 3.82Å; D150-R162 IonicContact OD1-NH2 2.99Å; D150-R162 PolarHBondContact OD1-NH2 2.88Å; D150-R162 WeakPolarHBondContact OD2-CB 3.24Å; D150-R162 IonicContact OD2-CZ 3.59Å; D150-R162 VanDerWaalsContact OD2-CZ 3.31Å; D150-R162 IonicContact OD2-NE 3.48Å; D150-R162 PolarHBondContact OD2-NE 2.64Å; D150-R162 IonicContact OD2-NH2 3.63Å; D150-R162 PolarHBondContact OD2-NH2 2.56Å; D150-R162 VanDerWaalsContact OD2-NH2 3.08Å
151	P	86.9	Confident	84.8	Confident	6 Å²	6	47.6 Å²	47.6	4%	0.039	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	133.9	-175.6	29.1	-34.6	0	0	0	112.5	F148 T159 F160 N184 V187 A188	F148-P151 HydrophobicContact CB-CB 3.88Å; F148-P151 HydrophobicContact CB-CG 4.38Å; F148-P151 HydrophobicContact CD1-CB 4.35Å; F148-P151 HydrophobicContact CG-CB 4.13Å; P151-T159 HydrophobicContact CB-CG2 3.96Å; P151-F160 WeakPolarHBondContact CA-O 3.46Å; P151-N184 HydrophobicContact CB-CB 4.26Å; P151-N184 PolarHBondContact O-N 3.4Å; P151-V187 HydrophobicContact CB-CB 4.23Å; P151-V187 HydrophobicContact CB-CG1 3.9Å; P151-V187 HydrophobicContact CG-CB 4.15Å; P151-V187 HydrophobicContact CG-CG1 4Å; P151-A188 HydrophobicContact CG-CB 3.88Å
152	V	86	Confident	84.9	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.7	178	-62.2	0	0	0	0	111.5	T159 F160 R162 A165 V180 V182	V152-T159 VanDerWaalsContact O-CA 3.28Å; V152-T159 WeakPolarHBondContact O-CA 3.46Å; V152-F160 WeakPolarHBondContact CG2-O 3.43Å; V152-F160 PolarHBondContact N-O 3.07Å; V152-F160 PolarHBondContact O-N 2.89Å; V152-R162 HydrophobicContact CG1-CB 3.91Å; V152-R162 HydrophobicContact CG1-CG 4.14Å; V152-R162 HydrophobicContact CG2-CB 4.31Å; V152-A165 HydrophobicContact CG2-CB 3.96Å; V152-V180 HydrophobicContact CB-CG1 3.91Å; V152-V180 HydrophobicContact CG1-CG1 4.06Å; V152-V180 HydrophobicContact CG2-CG1 4.03Å; V152-V180 HydrophobicContact CG2-CG2 3.99Å; V152-V182 CarbonylContact C-O 3.48Å; V152-V182 WeakPolarHBondContact CA-O 3.44Å
153	I	86.6	Confident	85	Confident	49 Å²	49	52 Å²	52	25%	0.251	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	133.1	171.2	-46.9	-175.1	0	0	0	108.3	V181 V182 N184	I153-V181 PolarHBondContact O-N 3.09Å; I153-V182 HydrophobicContact CB-CG2 3.98Å; I153-V182 HydrophobicContact CD1-CG2 4.06Å; I153-V182 HydrophobicContact CG1-CG2 4.17Å; I153-V182 PolarHBondContact N-O 3.05Å; I153-V182 PolarHBondContact O-N 2.78Å; I153-N184 HydrophobicContact CD1-CB 4.32Å; I153-N184 HydrophobicContact CG1-CB 3.73Å
154	T	85	Confident	85.1	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	169.6	177.7	55.1	0	0	0	0	111.8	C156 G157 H158 F160 A165 L178 T179	T154-C156 PolarHBondContact O-N 3.39Å; T154-C156 VanDerWaalsContact O-N 3.08Å; T154-C156 PolarHBondContact OG1-SG 3.47Å; T154-G157 WeakPolarHBondContact O-CA 2.95Å; T154-G157 PolarHBondContact O-N 3Å; T154-H158 PolarHBondContact N-O 2.94Å; T154-H158 PolarHBondContact OG1-O 2.95Å; T154-F160 HydrophobicContact CG2-CD2 4.01Å; T154-A165 HydrophobicContact CG2-CB 3.94Å; T154-L178 HydrophobicContact CG2-CD2 4.06Å; T154-T179 CarbonylContact C-O 3.6Å; T154-T179 WeakPolarHBondContact CA-O 3.14Å; T154-T179 VanDerWaalsContact CB-O 3.32Å; T154-T179 WeakPolarHBondContact CB-O 3.22Å
155	T	80.1	Confident	85.1	Confident	83 Å²	83	48.4 Å²	48.4	51%	0.509	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.2	-175.4	31.5	0	0	0	0	115.5	G157 K177 T179 V181	T155-G157 VanDerWaalsContact C-N 3.32Å; T155-K177 PolarHBondContact OG1-O 3.42Å; T155-T179 WeakPolarHBondContact CG2-OG1 3.45Å; T155-T179 PolarHBondContact N-O 2.86Å; T155-T179 PolarHBondContact OG1-OG1 2.88Å; T155-V181 HydrophobicContact CG2-CG2 3.5Å; T155-V181 VanDerWaalsContact CG2-CG2 3.5Å
156	C	82.4	Confident	85.1	Confident	36 Å²	36	49.6 Å²	49.6	24%	0.243	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	5.1	171.9	59.8	0	0	0	0	114.6	T154 H158 C171 D174 A176	T154-C156 PolarHBondContact O-N 3.39Å; T154-C156 VanDerWaalsContact O-N 3.08Å; T154-C156 PolarHBondContact OG1-SG 3.47Å; C156-H158 PolarHBondContact O-N 2.84Å; C156-C171 VanDerWaalsContact SG-SG 3.68Å; C156-D174 VanDerWaalsContact CB-OD2 3.29Å; C156-D174 WeakPolarHBondContact CB-OD2 3.41Å; C156-A176 HydrophobicContact CB-CB 4.02Å
157	G	79.9	Confident	85.1	Confident	52 Å²	52	50.4 Å²	50.4	54%	0.536	27%	0.268	S	S	.	.	S	Bend	trans	82.3	-11.9	-179.4	0	0	0	0	0	115	T154 T155	T154-G157 WeakPolarHBondContact O-CA 2.95Å; T154-G157 PolarHBondContact O-N 3Å; T155-G157 VanDerWaalsContact C-N 3.32Å
158	H	87.7	Confident	84.7	Confident	67 Å²	67	51.1 Å²	51.1	31%	0.31	28%	0.275	S	S	.	.			trans	-76.1	152.4	177.2	-65.9	108.2	0	0	0	112.5	T154 C156 F160 D174	T154-H158 PolarHBondContact N-O 2.94Å; T154-H158 PolarHBondContact OG1-O 2.95Å; C156-H158 PolarHBondContact O-N 2.84Å; H158-F160 HydrophobicContact CB-CE2 3.58Å; H158-F160 HydrophobicContact CB-CZ 3.76Å; H158-D174 IonicContact CE1-OD2 2.78Å; H158-D174 PolarHBondContact CE1-OD2 2.86Å; H158-D174 IonicContact ND1-OD2 3.94Å; H158-D174 PolarHBondContact ND1-OD2 2.97Å
159	T	86.9	Confident	84.2	Confident	31 Å²	31	55.9 Å²	55.9	19%	0.19	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.2	-177.1	-63.1	0	0	0	0	111.9	F148 P151 V152 N184	F148-T159 HydrophobicContact CE1-CG2 4.1Å; F148-T159 WeakPolarHBondContact CE1-O 3.16Å; F148-T159 HydrophobicContact CZ-CG2 4.24Å; P151-T159 HydrophobicContact CB-CG2 3.96Å; V152-T159 VanDerWaalsContact O-CA 3.28Å; V152-T159 WeakPolarHBondContact O-CA 3.46Å; T159-N184 HydrophobicContact CG2-CB 4.02Å; T159-N184 PolarHBondContact OG1-ND2 2.8Å
160	F	89.5	Confident	84.1	Confident	3 Å²	3	56.6 Å²	56.6	1%	0.013	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	162.7	-179.4	-58.7	-70.6	0	0	0	110.6	L143 P151 V152 T154 H158 A165 P172 L178	L143-F160 HydrophobicContact CD1-CB 4.23Å; L143-F160 HydrophobicContact CD1-CD1 3.61Å; L143-F160 HydrophobicContact CD1-CE1 4.14Å; L143-F160 HydrophobicContact CD1-CG 3.88Å; L143-F160 HydrophobicContact CG-CD1 3.8Å; L143-F160 HydrophobicContact CG-CE1 4.07Å; P151-F160 WeakPolarHBondContact CA-O 3.46Å; V152-F160 WeakPolarHBondContact CG2-O 3.43Å; V152-F160 PolarHBondContact N-O 3.07Å; V152-F160 PolarHBondContact O-N 2.89Å; T154-F160 HydrophobicContact CG2-CD2 4.01Å; H158-F160 HydrophobicContact CB-CE2 3.58Å; H158-F160 HydrophobicContact CB-CZ 3.76Å; F160-A165 HydrophobicContact CB-CB 4.18Å; F160-P172 HydrophobicContact CE1-CG 3.89Å; F160-P172 HydrophobicContact CZ-CG 4.12Å; F160-L178 HydrophobicContact CD2-CD2 3.93Å; F160-L178 HydrophobicContact CE2-CD2 3.6Å
161	C	89.5	Confident	84.1	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	140.4	166.4	-55.5	0	0	0	0	109.4	C141 K149 D150 R163 C164 A165	C141-C161 WeakPolarHBondContact CB-SG 3.38Å; C141-C161 VanDerWaalsContact SG-SG 3.65Å; K149-C161 PolarHBondContact N-SG 3.28Å; K149-C161 WeakPolarHBondContact O-CA 3.4Å; K149-C161 WeakPolarHBondContact O-CB 3.26Å; D150-C161 CarbonylContact O-C 3.53Å; C161-R163 VanDerWaalsContact C-N 3.29Å; C161-R163 PolarHBondContact O-N 3.28Å; C161-C164 HydrophobicContact CB-CB 4.09Å; C161-C164 WeakPolarHBondContact O-CB 3.48Å; C161-C164 PolarHBondContact O-N 3.31Å; C161-A165 PolarHBondContact O-N 2.96Å
162	R	86	Confident	83.9	Confident	71 Å²	71	56 Å²	56	27%	0.268	31%	0.305	S	S	.	.	H	α-helix	trans	-52.3	-46.5	-180	-167.9	-171.3	-49.9	-76.4	-18.3	112.2	D150 V152 C164 A165 L166 N183	D150-R162 HydrophobicContact CB-CB 4.44Å; D150-R162 VanDerWaalsContact CG-NH2 3.29Å; D150-R162 PolarHBondContact O-N 2.73Å; D150-R162 IonicContact OD1-CZ 2.88Å; D150-R162 IonicContact OD1-NE 3.82Å; D150-R162 IonicContact OD1-NH2 2.99Å; D150-R162 PolarHBondContact OD1-NH2 2.88Å; D150-R162 WeakPolarHBondContact OD2-CB 3.24Å; D150-R162 IonicContact OD2-CZ 3.59Å; D150-R162 VanDerWaalsContact OD2-CZ 3.31Å; D150-R162 IonicContact OD2-NE 3.48Å; D150-R162 PolarHBondContact OD2-NE 2.64Å; D150-R162 IonicContact OD2-NH2 3.63Å; D150-R162 PolarHBondContact OD2-NH2 2.56Å; D150-R162 VanDerWaalsContact OD2-NH2 3.08Å; V152-R162 HydrophobicContact CG1-CB 3.91Å; V152-R162 HydrophobicContact CG1-CG 4.14Å; V152-R162 HydrophobicContact CG2-CB 4.31Å; R162-C164 PolarHBondContact O-N 2.94Å; R162-A165 PolarHBondContact O-N 2.92Å; R162-L166 HydrophobicContact CG-CD1 4Å; R162-L166 VanDerWaalsContact O-CG 3.32Å; R162-L166 WeakPolarHBondContact O-CG 3.5Å; R162-L166 PolarHBondContact O-N 3.23Å; R162-L166 VanDerWaalsContact O-N 3.14Å; R162-N183 PolarHBondContact NH1-OD1 3.36Å; R162-N183 VanDerWaalsContact NH1-OD1 3.07Å; R162-N183 PolarHBondContact NH2-OD1 2.64Å
163	R	86.3	Confident	83.6	Confident	156 Å²	156	59.8 Å²	59.8	59%	0.589	33%	0.328	S	S	*	.	H	α-helix	trans	-59.1	-47.6	178.6	-159	167.1	-175.2	149.6	-0	110.9	C161 A165 L166 T167	C161-R163 VanDerWaalsContact C-N 3.29Å; C161-R163 PolarHBondContact O-N 3.28Å; R163-A165 PolarHBondContact O-N 3.25Å; R163-L166 PolarHBondContact O-N 3.2Å; R163-L166 VanDerWaalsContact O-N 3.11Å; R163-T167 PolarHBondContact O-N 3.29Å; R163-T167 PolarHBondContact O-OG1 3.42Å
164	C	85.6	Confident	83.5	Confident	23 Å²	23	60.7 Å²	60.7	16%	0.155	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-37.6	177.5	-59.4	0	0	0	0	113.7	L143 C161 R162 L166 T167 S168	L143-C164 HydrophobicContact CB-CB 3.86Å; L143-C164 HydrophobicContact CD1-CB 3.88Å; C161-C164 HydrophobicContact CB-CB 4.09Å; C161-C164 WeakPolarHBondContact O-CB 3.48Å; C161-C164 PolarHBondContact O-N 3.31Å; R162-C164 PolarHBondContact O-N 2.94Å; C164-L166 PolarHBondContact O-N 3.47Å; C164-T167 PolarHBondContact O-N 3.4Å; C164-S168 WeakPolarHBondContact O-CB 3.22Å; C164-S168 PolarHBondContact O-N 2.88Å; C164-S168 VanDerWaalsContact O-N 3.14Å
165	A	83.8	Confident	83.3	Confident	4 Å²	4	63.7 Å²	63.7	3%	0.033	36%	0.358	C	S	.	.	H	α-helix	trans	-69.1	-16.2	175.6	0	0	0	0	0	113.4	V152 T154 F160 C161 R162 R163 V180	V152-A165 HydrophobicContact CG2-CB 3.96Å; T154-A165 HydrophobicContact CG2-CB 3.94Å; F160-A165 HydrophobicContact CB-CB 4.18Å; C161-A165 PolarHBondContact O-N 2.96Å; R162-A165 PolarHBondContact O-N 2.92Å; R163-A165 PolarHBondContact O-N 3.25Å; A165-V180 HydrophobicContact CB-CG2 3.83Å
166	L	82.1	Confident	83.4	Confident	126 Å²	126	61.7 Å²	61.7	66%	0.66	35%	0.35	S	S	*	.	H	α-helix	trans	-99.4	-25.4	176.3	-67.1	171.2	0	0	0	113.1	R162 R163 C164 V180	R162-L166 HydrophobicContact CG-CD1 4Å; R162-L166 VanDerWaalsContact O-CG 3.32Å; R162-L166 WeakPolarHBondContact O-CG 3.5Å; R162-L166 PolarHBondContact O-N 3.23Å; R162-L166 VanDerWaalsContact O-N 3.14Å; R163-L166 PolarHBondContact O-N 3.2Å; R163-L166 VanDerWaalsContact O-N 3.11Å; C164-L166 PolarHBondContact O-N 3.47Å; L166-V180 HydrophobicContact CD2-CG2 4.24Å; L166-V180 HydrophobicContact CG-CG2 4.46Å
167	T	82.4	Confident	83.3	Confident	97 Å²	97	66.8 Å²	66.8	60%	0.595	37%	0.368	S	S	*	.	H	α-helix	trans	-91.5	-8.6	173.9	17.7	0	0	0	0	115.1	L119 R163 C164	L119-T167 HydrophobicContact CD1-CG2 4.39Å; R163-T167 PolarHBondContact O-N 3.29Å; R163-T167 PolarHBondContact O-OG1 3.42Å; C164-T167 PolarHBondContact O-N 3.4Å
168	S	79	Confident	83.2	Confident	38 Å²	38	64.8 Å²	64.8	27%	0.266	35%	0.345	S	S	.	.			trans	-115.2	123.7	-179.9	-168.3	0	0	0	0	111.3	C164 K170 L178	C164-S168 WeakPolarHBondContact O-CB 3.22Å; C164-S168 PolarHBondContact O-N 2.88Å; C164-S168 VanDerWaalsContact O-N 3.14Å; S168-K170 VanDerWaalsContact C-N 3.32Å; S168-K170 PolarHBondContact O-N 3.22Å; S168-K170 PolarHBondContact OG-O 3.11Å; S168-L178 WeakPolarHBondContact O-CD1 3.3Å
169	D	74.1	Confident	82.8	Confident	120 Å²	120	64.8 Å²	64.8	64%	0.642	35%	0.35	S	S	*	.	S	Bend	trans	-70.4	-24.1	179.3	-94.6	-52.2	0	0	0	113.7	K177 L178	D169-K177 VanDerWaalsContact O-CA 3.31Å; D169-K177 WeakPolarHBondContact O-CA 3.3Å; D169-L178 PolarHBondContact O-N 3.06Å; D169-L178 VanDerWaalsContact O-N 3.07Å
170	K	83.3	Confident	82.4	Confident	136 Å²	136	65.6 Å²	65.6	59%	0.591	36%	0.355	S	S	*	.	B	Isolated β-bridge	trans	-138.8	139.7	-167.5	-66.7	-174.4	-178.5	180	0	113.5	S168 A176	S168-K170 VanDerWaalsContact C-N 3.32Å; S168-K170 PolarHBondContact O-N 3.22Å; S168-K170 PolarHBondContact OG-O 3.11Å; K170-A176 WeakPolarHBondContact CA-O 3.27Å
171	C	83	Confident	81.7	Confident	4 Å²	4	69.5 Å²	69.5	3%	0.027	38%	0.379	C	S	.	.			trans	-65.1	130.1	175.2	-178.7	0	0	0	0	110.9	C156 V173 D174 A175 A176 L178	C156-C171 VanDerWaalsContact SG-SG 3.68Å; C171-V173 PolarHBondContact O-N 2.86Å; C171-V173 PolarHBondContact SG-N 2.87Å; C171-V173 VanDerWaalsContact SG-N 3.44Å; C171-D174 WeakPolarHBondContact CB-OD1 3.49Å; C171-D174 VanDerWaalsContact SG-CG 3.53Å; C171-D174 PolarHBondContact SG-OD1 3.34Å; C171-D174 VanDerWaalsContact SG-OD1 3.4Å; C171-D174 PolarHBondContact SG-OD2 2.9Å; C171-A175 VanDerWaalsContact O-CA 3.22Å; C171-A175 WeakPolarHBondContact O-CA 3.32Å; C171-A175 PolarHBondContact O-N 3.01Å; C171-A176 PolarHBondContact N-O 3.15Å; C171-L178 HydrophobicContact CB-CD2 3.73Å; C171-L178 HydrophobicContact CB-CG 4.3Å
172	P	82.4	Confident	81.4	Confident	72 Å²	72	73 Å²	73	47%	0.468	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-11.2	177.3	29.5	-35.4	0	0	0	113.7	Q142 L143 F160	Q142-P172 HydrophobicContact CB-CG 4.47Å; L143-P172 HydrophobicContact CD2-CG 3.98Å; L143-P172 HydrophobicContact CG-CG 4.32Å; F160-P172 HydrophobicContact CE1-CG 3.89Å; F160-P172 HydrophobicContact CZ-CG 4.12Å
173	V	81.1	Confident	81.4	Confident	78 Å²	78	73.9 Å²	73.9	47%	0.473	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-40.7	-176.9	-168.2	0	0	0	0	112.5	C171	C171-V173 PolarHBondContact O-N 2.86Å; C171-V173 PolarHBondContact SG-N 2.87Å; C171-V173 VanDerWaalsContact SG-N 3.44Å
174	D	84.3	Confident	81.3	Confident	68 Å²	68	67.5 Å²	67.5	36%	0.364	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.4	-0.2	-169.7	57.4	48	0	0	0	114.1	C156 H158 C171 A176	C156-D174 VanDerWaalsContact CB-OD2 3.29Å; C156-D174 WeakPolarHBondContact CB-OD2 3.41Å; H158-D174 IonicContact CE1-OD2 2.78Å; H158-D174 PolarHBondContact CE1-OD2 2.86Å; H158-D174 IonicContact ND1-OD2 3.94Å; H158-D174 PolarHBondContact ND1-OD2 2.97Å; C171-D174 WeakPolarHBondContact CB-OD1 3.49Å; C171-D174 VanDerWaalsContact SG-CG 3.53Å; C171-D174 PolarHBondContact SG-OD1 3.34Å; C171-D174 VanDerWaalsContact SG-OD1 3.4Å; C171-D174 PolarHBondContact SG-OD2 2.9Å; D174-A176 PolarHBondContact O-N 2.81Å; D174-A176 VanDerWaalsContact O-N 3.11Å; D174-A176 WeakPolarHBondContact OD1-CB 3.45Å; D174-A176 PolarHBondContact OD1-N 3.06Å
175	A	80.6	Confident	80.9	Confident	66 Å²	66	71.6 Å²	71.6	55%	0.545	41%	0.407	S	S	.	.			trans	58.7	9	-176.3	0	0	0	0	0	116.6	C171	C171-A175 VanDerWaalsContact O-CA 3.22Å; C171-A175 WeakPolarHBondContact O-CA 3.32Å; C171-A175 PolarHBondContact O-N 3.01Å
176	A	80.8	Confident	80.7	Confident	42 Å²	42	73.8 Å²	73.8	35%	0.347	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-65.6	154.2	173.7	0	0	0	0	0	111.6	C156 K170 C171 D174 L178	C156-A176 HydrophobicContact CB-CB 4.02Å; K170-A176 WeakPolarHBondContact CA-O 3.27Å; C171-A176 PolarHBondContact N-O 3.15Å; D174-A176 PolarHBondContact O-N 2.81Å; D174-A176 VanDerWaalsContact O-N 3.11Å; D174-A176 WeakPolarHBondContact OD1-CB 3.45Å; D174-A176 PolarHBondContact OD1-N 3.06Å; A176-L178 PolarHBondContact O-N 2.8Å
177	K	80.8	Confident	80.8	Confident	142 Å²	142	68.9 Å²	68.9	62%	0.617	40%	0.4	S	S	*	.	B	Isolated β-bridge	trans	-67	126.8	178.4	-175.6	172.2	-176	174.2	0	110.2	T155 D169 T179	T155-K177 PolarHBondContact OG1-O 3.42Å; D169-K177 VanDerWaalsContact O-CA 3.31Å; D169-K177 WeakPolarHBondContact O-CA 3.3Å; K177-T179 PolarHBondContact O-N 2.95Å
178	L	78.3	Confident	80.8	Confident	10 Å²	10	66.3 Å²	66.3	5%	0.052	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-76.8	122.2	177.9	-66.4	173	0	0	0	110.5	L143 T154 F160 S168 D169 C171 A176	L143-L178 HydrophobicContact CD1-CD1 4.06Å; T154-L178 HydrophobicContact CG2-CD2 4.06Å; F160-L178 HydrophobicContact CD2-CD2 3.93Å; F160-L178 HydrophobicContact CE2-CD2 3.6Å; S168-L178 WeakPolarHBondContact O-CD1 3.3Å; D169-L178 PolarHBondContact O-N 3.06Å; D169-L178 VanDerWaalsContact O-N 3.07Å; C171-L178 HydrophobicContact CB-CD2 3.73Å; C171-L178 HydrophobicContact CB-CG 4.3Å; A176-L178 PolarHBondContact O-N 2.8Å
179	T	78.6	Confident	80.9	Confident	67 Å²	67	70.4 Å²	70.4	41%	0.411	40%	0.404	S	S	.	.			trans	-135.8	137.4	163.1	50.9	0	0	0	0	109	T154 T155 K177	T154-T179 CarbonylContact C-O 3.6Å; T154-T179 WeakPolarHBondContact CA-O 3.14Å; T154-T179 VanDerWaalsContact CB-O 3.32Å; T154-T179 WeakPolarHBondContact CB-O 3.22Å; T155-T179 WeakPolarHBondContact CG2-OG1 3.45Å; T155-T179 PolarHBondContact N-O 2.86Å; T155-T179 PolarHBondContact OG1-OG1 2.88Å; K177-T179 PolarHBondContact O-N 2.95Å
180	V	78.6	Confident	81.4	Confident	49 Å²	49	70 Å²	70	30%	0.297	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.3	-178.3	177.7	0	0	0	0	110	V152 A165 L166	V152-V180 HydrophobicContact CB-CG1 3.91Å; V152-V180 HydrophobicContact CG1-CG1 4.06Å; V152-V180 HydrophobicContact CG2-CG1 4.03Å; V152-V180 HydrophobicContact CG2-CG2 3.99Å; A165-V180 HydrophobicContact CB-CG2 3.83Å; L166-V180 HydrophobicContact CD2-CG2 4.24Å; L166-V180 HydrophobicContact CG-CG2 4.46Å
181	V	76	Confident	81.5	Confident	85 Å²	85	64.2 Å²	64.2	52%	0.515	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-55.4	-178.2	-177.7	0	0	0	0	111.4	I153 T155	I153-V181 PolarHBondContact O-N 3.09Å; T155-V181 HydrophobicContact CG2-CG2 3.5Å; T155-V181 VanDerWaalsContact CG2-CG2 3.5Å
182	V	83	Confident	81.4	Confident	80 Å²	80	64.6 Å²	64.6	49%	0.485	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159.6	-178.9	-74.1	0	0	0	0	111.7	V152 I153	V152-V182 CarbonylContact C-O 3.48Å; V152-V182 WeakPolarHBondContact CA-O 3.44Å; I153-V182 HydrophobicContact CB-CG2 3.98Å; I153-V182 HydrophobicContact CD1-CG2 4.06Å; I153-V182 HydrophobicContact CG1-CG2 4.17Å; I153-V182 PolarHBondContact N-O 3.05Å; I153-V182 PolarHBondContact O-N 2.78Å
183	N	84.8	Confident	81.6	Confident	88 Å²	88	66 Å²	66	47%	0.471	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	135.7	172	-60.9	-6.1	0	0	0	110.1	R162 I185	R162-N183 PolarHBondContact NH1-OD1 3.36Å; R162-N183 VanDerWaalsContact NH1-OD1 3.07Å; R162-N183 PolarHBondContact NH2-OD1 2.64Å; N183-I185 HydrophobicContact CB-CG1 4.46Å; N183-I185 PolarHBondContact O-N 3.18Å; N183-I185 VanDerWaalsContact O-N 3.16Å
184	N	84	Confident	81.8	Confident	23 Å²	23	63.7 Å²	63.7	12%	0.123	36%	0.363	C	S	.	.			trans	-89.1	77.2	176.2	-165.2	-22.8	0	0	0	110.3	P151 I153 T159 A186 V187 A188	P151-N184 HydrophobicContact CB-CB 4.26Å; P151-N184 PolarHBondContact O-N 3.4Å; I153-N184 HydrophobicContact CD1-CB 4.32Å; I153-N184 HydrophobicContact CG1-CB 3.73Å; T159-N184 HydrophobicContact CG2-CB 4.02Å; T159-N184 PolarHBondContact OG1-ND2 2.8Å; N184-A186 VanDerWaalsContact C-N 3.29Å; N184-A186 PolarHBondContact O-N 2.88Å; N184-V187 HydrophobicContact CB-CB 4.3Å; N184-V187 WeakPolarHBondContact ND2-CG2 3.13Å; N184-V187 PolarHBondContact O-N 3.04Å; N184-V187 VanDerWaalsContact O-N 3.14Å; N184-V187 PolarHBondContact OD1-N 2.78Å; N184-A188 PolarHBondContact O-N 3.41Å; N184-A188 VanDerWaalsContact O-N 3.09Å
185	I	78.8	Confident	82	Confident	109 Å²	109	65.3 Å²	65.3	56%	0.559	37%	0.367	S	S	*	.	H	α-helix	trans	-56.4	-42.6	-175.5	-59.3	172.7	0	0	0	111.2	N183 V187 A188 E189	N183-I185 HydrophobicContact CB-CG1 4.46Å; N183-I185 PolarHBondContact O-N 3.18Å; N183-I185 VanDerWaalsContact O-N 3.16Å; I185-V187 VanDerWaalsContact C-N 3.32Å; I185-V187 PolarHBondContact O-N 3Å; I185-A188 WeakPolarHBondContact O-CA 3.19Å; I185-A188 WeakPolarHBondContact O-CB 3.29Å; I185-A188 PolarHBondContact O-N 2.92Å; I185-E189 HydrophobicContact CG2-CG 4.31Å; I185-E189 WeakPolarHBondContact O-CG 3.3Å; I185-E189 PolarHBondContact O-N 3.11Å
186	A	78.4	Confident	82.3	Confident	50 Å²	50	62.2 Å²	62.2	41%	0.413	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-34.6	179.8	0	0	0	0	0	113.5	N184 Q190	N184-A186 VanDerWaalsContact C-N 3.29Å; N184-A186 PolarHBondContact O-N 2.88Å; A186-Q190 VanDerWaalsContact O-CG 3.26Å; A186-Q190 WeakPolarHBondContact O-CG 3.5Å; A186-Q190 PolarHBondContact O-N 3.36Å; A186-Q190 VanDerWaalsContact O-N 3.15Å
187	V	83.9	Confident	82.5	Confident	22 Å²	22	61.6 Å²	61.6	13%	0.133	33%	0.331	C	S	.	.	H	α-helix	trans	-75.6	-33.3	173.7	173.9	0	0	0	0	111.2	F148 P151 N184 I185 I191	F148-V187 HydrophobicContact CD2-CG1 3.69Å; F148-V187 HydrophobicContact CE2-CG1 4.06Å; F148-V187 HydrophobicContact CG-CG1 4.38Å; P151-V187 HydrophobicContact CB-CB 4.23Å; P151-V187 HydrophobicContact CB-CG1 3.9Å; P151-V187 HydrophobicContact CG-CB 4.15Å; P151-V187 HydrophobicContact CG-CG1 4Å; N184-V187 HydrophobicContact CB-CB 4.3Å; N184-V187 WeakPolarHBondContact ND2-CG2 3.13Å; N184-V187 PolarHBondContact O-N 3.04Å; N184-V187 VanDerWaalsContact O-N 3.14Å; N184-V187 PolarHBondContact OD1-N 2.78Å; I185-V187 VanDerWaalsContact C-N 3.32Å; I185-V187 PolarHBondContact O-N 3Å; V187-I191 HydrophobicContact CG1-CD1 3.93Å; V187-I191 WeakPolarHBondContact O-CD1 3.25Å; V187-I191 VanDerWaalsContact O-CG1 3.28Å; V187-I191 WeakPolarHBondContact O-CG1 3.22Å; V187-I191 PolarHBondContact O-N 3.35Å; V187-I191 VanDerWaalsContact O-N 3.13Å
188	A	82.5	Confident	82.7	Confident	44 Å²	44	54.9 Å²	54.9	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-65.2	-41.3	173.4	0	0	0	0	0	112	P151 N184 I185 I191 G192	P151-A188 HydrophobicContact CG-CB 3.88Å; N184-A188 PolarHBondContact O-N 3.41Å; N184-A188 VanDerWaalsContact O-N 3.09Å; I185-A188 WeakPolarHBondContact O-CA 3.19Å; I185-A188 WeakPolarHBondContact O-CB 3.29Å; I185-A188 PolarHBondContact O-N 2.92Å; A188-I191 PolarHBondContact O-N 3.42Å; A188-G192 PolarHBondContact O-N 3.44Å
189	E	81.9	Confident	83	Confident	124 Å²	124	57.5 Å²	57.5	58%	0.579	31%	0.313	S	S	*	.	H	α-helix	trans	-62.3	-47.1	174.4	-71.9	170	172.9	0	0	111.7	I185 I191 G192 E193	I185-E189 HydrophobicContact CG2-CG 4.31Å; I185-E189 WeakPolarHBondContact O-CG 3.3Å; I185-E189 PolarHBondContact O-N 3.11Å; E189-I191 PolarHBondContact O-N 2.75Å; E189-G192 PolarHBondContact O-N 2.85Å; E189-G192 VanDerWaalsContact O-N 3.08Å; E189-E193 PolarHBondContact O-N 3.35Å; E189-E193 VanDerWaalsContact O-N 3.08Å
190	Q	83.9	Confident	83.2	Confident	111 Å²	111	58 Å²	58	52%	0.519	31%	0.308	S	S	.	.	H	α-helix	trans	-60.1	-26.4	175.4	-73.9	172.3	15.3	0	0	113.6	L139 A186	L139-Q190 HydrophobicContact CD2-CB 3.98Å; A186-Q190 VanDerWaalsContact O-CG 3.26Å; A186-Q190 WeakPolarHBondContact O-CG 3.5Å; A186-Q190 PolarHBondContact O-N 3.36Å; A186-Q190 VanDerWaalsContact O-N 3.15Å
191	I	85.2	Confident	83.3	Confident	14 Å²	14	55.6 Å²	55.6	7%	0.072	29%	0.294	C	S	.	.	H	α-helix	trans	-84	-34.9	175.2	-71.6	166.9	0	0	0	111.5	L139 V147 F148 V187 A188 E189 E193 L194 L236	L139-I191 HydrophobicContact CB-CG1 4.32Å; L139-I191 HydrophobicContact CD1-CG1 4.49Å; L139-I191 HydrophobicContact CD2-CG1 4.37Å; V147-I191 HydrophobicContact CG1-CD1 3.89Å; V147-I191 HydrophobicContact CG1-CG1 3.9Å; V147-I191 HydrophobicContact CG1-CG2 3.87Å; F148-I191 HydrophobicContact CB-CD1 3.64Å; F148-I191 HydrophobicContact CD2-CD1 4Å; F148-I191 HydrophobicContact CG-CD1 4.32Å; V187-I191 HydrophobicContact CG1-CD1 3.93Å; V187-I191 WeakPolarHBondContact O-CD1 3.25Å; V187-I191 VanDerWaalsContact O-CG1 3.28Å; V187-I191 WeakPolarHBondContact O-CG1 3.22Å; V187-I191 PolarHBondContact O-N 3.35Å; V187-I191 VanDerWaalsContact O-N 3.13Å; A188-I191 PolarHBondContact O-N 3.42Å; E189-I191 PolarHBondContact O-N 2.75Å; I191-E193 PolarHBondContact O-N 2.73Å; I191-L194 HydrophobicContact CB-CD1 4.45Å; I191-L194 HydrophobicContact CG1-CD1 4.37Å; I191-L194 HydrophobicContact CG2-CD1 4.34Å; I191-L194 WeakPolarHBondContact O-CB 3.39Å; I191-L194 PolarHBondContact O-N 3.43Å; I191-L194 VanDerWaalsContact O-N 3.12Å; I191-L236 HydrophobicContact CG2-CD2 3.89Å
192	G	82.5	Confident	83.7	Confident	13 Å²	13	52.5 Å²	52.5	13%	0.134	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-32.1	172.1	0	0	0	0	0	113.1	A188 E189 L194 L236 S237	A188-G192 PolarHBondContact O-N 3.44Å; E189-G192 PolarHBondContact O-N 2.85Å; E189-G192 VanDerWaalsContact O-N 3.08Å; G192-L194 VanDerWaalsContact C-N 3.27Å; G192-L194 PolarHBondContact O-N 3.41Å; G192-L236 PolarHBondContact O-N 2.92Å; G192-S237 PolarHBondContact O-N 2.77Å; G192-S237 PolarHBondContact O-OG 3.49Å
193	E	85.4	Confident	83.5	Confident	101 Å²	101	54.4 Å²	54.4	47%	0.472	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-8.8	175	-71.8	-69.1	102.5	0	0	114.6	E189 I191 K235	E189-E193 PolarHBondContact O-N 3.35Å; E189-E193 VanDerWaalsContact O-N 3.08Å; I191-E193 PolarHBondContact O-N 2.73Å; E193-K235 VanDerWaalsContact OE1-CD 3.31Å; E193-K235 WeakPolarHBondContact OE1-CD 3.28Å; E193-K235 IonicContact OE1-NZ 2.83Å; E193-K235 PolarHBondContact OE1-NZ 2.72Å; E193-K235 IonicContact OE2-NZ 3.14Å; E193-K235 PolarHBondContact OE2-NZ 3.27Å
194	L	86.3	Confident	83	Confident	29 Å²	29	53.1 Å²	53.1	15%	0.152	28%	0.275	C	S	.	.	S	Bend	trans	-69.9	139.6	177.4	-65.9	173	0	0	0	111.7	F131 P135 L139 V147 I191 G192 L236	F131-L194 HydrophobicContact CD1-CB 4.25Å; F131-L194 HydrophobicContact CE1-CB 4.07Å; F131-L194 HydrophobicContact CE1-CD1 3.86Å; P135-L194 HydrophobicContact CB-CD1 4.13Å; P135-L194 HydrophobicContact CB-CD2 4.47Å; L139-L194 HydrophobicContact CD1-CD1 4.23Å; L139-L194 HydrophobicContact CD1-CD2 4.06Å; L139-L194 HydrophobicContact CD1-CG 4.4Å; V147-L194 HydrophobicContact CG1-CD1 4.08Å; I191-L194 HydrophobicContact CB-CD1 4.45Å; I191-L194 HydrophobicContact CG1-CD1 4.37Å; I191-L194 HydrophobicContact CG2-CD1 4.34Å; I191-L194 WeakPolarHBondContact O-CB 3.39Å; I191-L194 PolarHBondContact O-N 3.43Å; I191-L194 VanDerWaalsContact O-N 3.12Å; G192-L194 VanDerWaalsContact C-N 3.27Å; G192-L194 PolarHBondContact O-N 3.41Å; L194-L236 WeakPolarHBondContact O-CB 3.32Å; L194-L236 PolarHBondContact O-N 2.91Å
195	F	87.2	Confident	82.4	Confident	103 Å²	103	54.5 Å²	54.5	45%	0.452	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.8	-178	-79	-78.6	0	0	0	112.3	F131 A132 T233 I234 K235	F131-F195 WeakPolarHBondContact CA-O 3.2Å; A132-F195 PolarHBondContact N-O 3.19Å; F195-T233 HydrophobicContact CB-CG2 3.69Å; F195-T233 HydrophobicContact CD1-CG2 4.01Å; F195-T233 HydrophobicContact CG-CG2 4.28Å; F195-I234 WeakPolarHBondContact CA-O 3.44Å; F195-K235 HydrophobicContact CD1-CG 4.2Å; F195-K235 HydrophobicContact CE1-CG 3.7Å; F195-K235 HydrophobicContact CZ-CG 3.87Å
196	I	88	Confident	81.3	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	156.5	178	57.7	155	0	0	0	111.3	Q129 V130 F131 T233 I234 L236 R239	Q129-I196 HydrophobicContact CG-CG2 4.16Å; V130-I196 CarbonylContact O-C 3.52Å; V130-I196 VanDerWaalsContact O-CA 3.3Å; V130-I196 WeakPolarHBondContact O-CA 3.49Å; F131-I196 HydrophobicContact CD1-CG2 3.63Å; F131-I196 HydrophobicContact CE1-CG2 3.95Å; F131-I196 HydrophobicContact CG-CG2 4.18Å; I196-T233 CarbonylContact O-C 3.6Å; I196-T233 WeakPolarHBondContact O-CA 3.49Å; I196-T233 WeakPolarHBondContact O-CG2 3.37Å; I196-I234 HydrophobicContact CD1-CG1 4.5Å; I196-I234 HydrophobicContact CG1-CG1 4.06Å; I196-I234 WeakPolarHBondContact CG1-O 3.44Å; I196-I234 PolarHBondContact N-O 2.95Å; I196-I234 PolarHBondContact O-N 2.85Å; I196-L236 HydrophobicContact CD1-CD1 3.73Å; I196-L236 HydrophobicContact CG1-CD1 4.35Å; I196-L236 HydrophobicContact CG2-CD1 4.4Å; I196-R239 HydrophobicContact CD1-CB 4.41Å; I196-R239 HydrophobicContact CD1-CG 4.1Å
197	H	84.9	Confident	79.8	Confident	30 Å²	30	61.1 Å²	61.1	14%	0.139	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	142.4	168.6	-67.5	-84.4	0	0	0	110.9	V130 V225 T233	V130-H197 PolarHBondContact O-N 3.16Å; H197-V225 HydrophobicContact CB-CG2 4.45Å; H197-T233 PolarHBondContact CE1-OG1 3.06Å
198	C	85.2	Confident	77.8	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.352	C	S	.	.			trans	-56.3	143.1	173.3	179.2	0	0	0	0	111	Y200 G201 C230 F232 I234	C198-Y200 PolarHBondContact O-N 3.23Å; C198-Y200 VanDerWaalsContact O-N 3.15Å; C198-G201 WeakPolarHBondContact O-CA 3.48Å; C198-G201 PolarHBondContact O-N 2.9Å; C198-C230 HydrophobicContact CB-CB 3.98Å; C198-F232 PolarHBondContact N-O 2.75Å; C198-I234 HydrophobicContact CB-CD1 4.35Å
199	K	83	Confident	75.5	Confident	65 Å²	65	66.7 Å²	66.7	28%	0.283	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-60.2	-27.3	178.1	74.1	-172.7	174	-150.8	0	114	G201 C202 E243	K199-G201 PolarHBondContact O-N 3.06Å; K199-C202 PolarHBondContact O-N 2.87Å; K199-E243 VanDerWaalsContact CD-CD 3.48Å; K199-E243 HydrophobicContact CD-CG 4.39Å; K199-E243 WeakPolarHBondContact CD-OE1 3.22Å; K199-E243 WeakPolarHBondContact CD-OE2 3.5Å; K199-E243 WeakPolarHBondContact CE-OE2 3.37Å; K199-E243 HydrophobicContact CG-CG 4.21Å; K199-E243 WeakPolarHBondContact CG-OE1 3.46Å; K199-E243 PolarHBondContact N-OE1 3.23Å; K199-E243 IonicContact NZ-OE2 2.64Å; K199-E243 PolarHBondContact NZ-OE2 2.95Å
200	Y	83.4	Confident	73.5	Confident	77 Å²	77	68 Å²	68	30%	0.302	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-80	2.8	173.8	-54.8	-63.6	0	0	0	113.3	C198 G229 C230 E243 C246 R249	C198-Y200 PolarHBondContact O-N 3.23Å; C198-Y200 VanDerWaalsContact O-N 3.15Å; Y200-G229 CarbonylContact O-C 3.56Å; Y200-G229 VanDerWaalsContact O-CA 3.25Å; Y200-G229 WeakPolarHBondContact O-CA 3.45Å; Y200-C230 PolarHBondContact O-N 2.76Å; Y200-E243 HydrophobicContact CE2-CB 4.25Å; Y200-E243 HydrophobicContact CE2-CG 4.44Å; Y200-C246 HydrophobicContact CD2-CB 4.26Å; Y200-R249 HydrophobicContact CD2-CB 4.5Å; Y200-R249 HydrophobicContact CE2-CB 4.27Å; Y200-R249 HydrophobicContact CE2-CG 4.16Å
201	G	82	Confident	70.9	Confident	0 Å²	0	67 Å²	67	0%	0	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-113.8	13.5	170	0	0	0	0	0	113.3	C198 K199 V225 D226 C230	C198-G201 WeakPolarHBondContact O-CA 3.48Å; C198-G201 PolarHBondContact O-N 2.9Å; K199-G201 PolarHBondContact O-N 3.06Å; G201-V225 CarbonylContact O-C 3.56Å; G201-V225 WeakPolarHBondContact O-CA 3.47Å; G201-D226 PolarHBondContact O-N 2.89Å; G201-C230 WeakPolarHBondContact CA-O 3.36Å
202	C	82.5	Confident	68.8	Low	19 Å²	19	72.4 Å²	72.4	13%	0.128	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.5	-175.9	-68.8	0	0	0	0	111.4	P128 K199 E224	P128-C202 HydrophobicContact CB-CB 4.23Å; K199-C202 PolarHBondContact O-N 2.87Å; C202-E224 CarbonylContact C-O 3.57Å; C202-E224 WeakPolarHBondContact CA-O 3.43Å
203	R	80.8	Confident	66.6	Low	120 Å²	120	76.7 Å²	76.7	45%	0.453	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.1	175.3	68.2	-176.8	-169.9	-172.4	3.4	111.4	H223 E224 D226	R203-H223 CarbonylContact O-C 3.56Å; R203-H223 VanDerWaalsContact O-CA 3.3Å; R203-H223 WeakPolarHBondContact O-CA 3.4Å; R203-E224 PolarHBondContact N-O 2.9Å; R203-E224 IonicContact NH2-OE2 3.8Å; R203-E224 PolarHBondContact O-N 3.48Å; R203-D226 HydrophobicContact CB-CB 4.36Å; R203-D226 WeakPolarHBondContact CD-OD2 3.21Å; R203-D226 HydrophobicContact CG-CB 4.26Å
204	A	74.3	Confident	64.1	Low	61 Å²	61	76.2 Å²	76.2	50%	0.504	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	140.8	174.8	0	0	0	0	0	111.2	T206	A204-T206 PolarHBondContact O-N 3.37Å
205	V	71.3	Confident	61.3	Low	53 Å²	53	80.1 Å²	80.1	32%	0.321	52%	0.515	S	S	.	.			trans	-81.7	110.5	179.1	-179.3	0	0	0	0	110.7	A222 E224	V205-A222 HydrophobicContact CG2-CB 4.45Å; V205-A222 WeakPolarHBondContact CG2-O 3.39Å; V205-A222 PolarHBondContact N-O 3.01Å; V205-A222 VanDerWaalsContact N-O 3.14Å; V205-E224 HydrophobicContact CG2-CB 4.1Å; V205-E224 VanDerWaalsContact CG2-CD 3.49Å; V205-E224 HydrophobicContact CG2-CG 3.52Å
206	T	54.4	Low	58.6	Low	132 Å²	132	82.2 Å²	82.2	81%	0.81	54%	0.536	S	S	*	.			trans	-89.4	102.5	175.2	49.4	0	0	0	0	110.9	A204 G208	A204-T206 PolarHBondContact O-N 3.37Å; T206-G208 PolarHBondContact O-N 3.31Å; T206-G208 VanDerWaalsContact O-N 3.12Å
207	N	47.5	Very low	55.8	Low	165 Å²	165	87 Å²	87	88%	0.882	58%	0.576	S	S	*	*			trans	-62	113.2	178.9	-77.6	-23.9	0	0	0	111.8
208	G	41.8	Very low	53	Low	80 Å²	80	89.2 Å²	89.2	83%	0.825	61%	0.607	S	S	*	*			trans	-154.5	39.7	-169.4	0	0	0	0	0	116.6	T206	T206-G208 PolarHBondContact O-N 3.31Å; T206-G208 VanDerWaalsContact O-N 3.12Å
209	A	33.5	Very low	50.6	Low	103 Å²	103	97.2 Å²	97.2	85%	0.851	64%	0.642	S	S	*	*			trans	-150.7	159.9	169.6	0	0	0	0	0	111.8
210	V	40.8	Very low	48.2	Very low	153 Å²	153	100.3 Å²	100.3	93%	0.927	67%	0.668	S	S	*	*			trans	-108.9	124.1	-168.7	179.6	0	0	0	0	112.7
211	A	28.6	Very low	46.7	Very low	90 Å²	90	99.2 Å²	99.2	74%	0.744	68%	0.68	S	S	*	*			trans	-156.2	155.4	161.8	0	0	0	0	0	110.7
212	P	40.9	Very low	45.6	Very low	127 Å²	127	102.5 Å²	102.5	83%	0.825	71%	0.707	S	S	*	*			trans	-97.9	140.7	-162.7	36	-35.1	0	0	0	116.8
213	A	38.3	Very low	45	Very low	102 Å²	102	104.1 Å²	104.1	84%	0.843	71%	0.713	S	S	*	*			trans	33	97.2	143.6	0	0	0	0	0	120.5
214	A	31.6	Very low	44.9	Very low	92 Å²	92	102.9 Å²	102.9	76%	0.76	71%	0.712	S	S	*	*				-169.8	151.8	117.7	0	0	0	0	0	113.4
215	S	27.3	Very low	45.2	Very low	111 Å²	111	102.9 Å²	102.9	78%	0.776	71%	0.706	S	S	*	*	S	Bend	trans	72.4	122.3	160.4	74	0	0	0	0	120.7
216	V	30.6	Very low	45.6	Very low	146 Å²	146	102.4 Å²	102.4	89%	0.885	70%	0.702	S	S	*	*			trans	63.5	134.1	157.9	-168	0	0	0	0	118.4
217	A	30.1	Very low	46.5	Very low	101 Å²	101	101.7 Å²	101.7	84%	0.835	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-73.9	133.2	-177.7	0	0	0	0	0	113.1
218	G	26.6	Very low	47.7	Very low	76 Å²	76	101.2 Å²	101.2	78%	0.784	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-87	154.3	176.1	0	0	0	0	0	114
219	K	32.8	Very low	49.5	Very low	169 Å²	169	98 Å²	98	74%	0.735	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-77.9	145.1	165	-77.1	-178.4	173.1	179.8	0	110.2	N146	N146-K219 PolarHBondContact OD1-NZ 2.79Å
220	P	34.5	Very low	51.9	Low	130 Å²	130	93.1 Å²	93.1	84%	0.844	62%	0.622	S	S	*	*	S	Bend	trans	-70.8	161.8	164.1	32.4	-34.8	0	0	0	111.3
221	G	50.1	Low	53.8	Low	54 Å²	54	90 Å²	90	56%	0.557	61%	0.605	S	S	*	*			trans	93.2	18.4	168	0	0	0	0	0	117.3	H223	G221-H223 PolarHBondContact O-N 3.34Å; G221-H223 PolarHBondContact O-ND1 2.94Å
222	A	59.2	Low	56.4	Low	68 Å²	68	91 Å²	91	56%	0.562	59%	0.593	S	S	*	*			trans	-63.5	128.3	172.3	0	0	0	0	0	111.4	V205	V205-A222 HydrophobicContact CG2-CB 4.45Å; V205-A222 WeakPolarHBondContact CG2-O 3.39Å; V205-A222 PolarHBondContact N-O 3.01Å; V205-A222 VanDerWaalsContact N-O 3.14Å
223	H	71.2	Confident	58.5	Low	53 Å²	53	87.6 Å²	87.6	25%	0.245	57%	0.57	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.1	141.1	174.6	-71.2	78	0	0	0	109.2	V130 R203 G221	V130-H223 HydrophobicContact CG2-CB 3.73Å; V130-H223 WeakPolarHBondContact CG2-O 2.84Å; R203-H223 CarbonylContact O-C 3.56Å; R203-H223 VanDerWaalsContact O-CA 3.3Å; R203-H223 WeakPolarHBondContact O-CA 3.4Å; G221-H223 PolarHBondContact O-N 3.34Å; G221-H223 PolarHBondContact O-ND1 2.94Å
224	E	78.4	Confident	60.9	Low	95 Å²	95	83.5 Å²	83.5	44%	0.444	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	155.8	179	-80.7	173.7	-175.3	0	0	110.7	C202 R203 V205	C202-E224 CarbonylContact C-O 3.57Å; C202-E224 WeakPolarHBondContact CA-O 3.43Å; R203-E224 PolarHBondContact N-O 2.9Å; R203-E224 IonicContact NH2-OE2 3.8Å; R203-E224 PolarHBondContact O-N 3.48Å; V205-E224 HydrophobicContact CG2-CB 4.1Å; V205-E224 VanDerWaalsContact CG2-CD 3.49Å; V205-E224 HydrophobicContact CG2-CG 3.52Å
225	V	80.2	Confident	63.6	Low	61 Å²	61	82.3 Å²	82.3	37%	0.37	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	130.7	172.3	-175.1	0	0	0	0	109.1	V130 H197 G201 P227	V130-V225 HydrophobicContact CG1-CG2 4.18Å; H197-V225 HydrophobicContact CB-CG2 4.45Å; G201-V225 CarbonylContact O-C 3.56Å; G201-V225 WeakPolarHBondContact O-CA 3.47Å; V225-P227 WeakPolarHBondContact O-CD 3.36Å
226	D	79.3	Confident	66.3	Low	43 Å²	43	78.9 Å²	78.9	23%	0.23	48%	0.484	C	S	.	.			trans	-93.2	117.3	177.4	-164.3	-36.9	0	0	0	110.5	G201 R203 L228 G229	G201-D226 PolarHBondContact O-N 2.89Å; R203-D226 HydrophobicContact CB-CB 4.36Å; R203-D226 WeakPolarHBondContact CD-OD2 3.21Å; R203-D226 HydrophobicContact CG-CB 4.26Å; D226-L228 PolarHBondContact O-N 3.27Å; D226-L228 VanDerWaalsContact O-N 3.07Å; D226-L228 PolarHBondContact OD1-N 3.08Å; D226-G229 PolarHBondContact O-N 2.98Å
227	P	73.4	Confident	68.9	Low	116 Å²	116	75.3 Å²	75.3	75%	0.753	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-12.9	178.2	-23.5	34.9	0	0	0	115.5	V225	V225-P227 WeakPolarHBondContact O-CD 3.36Å
228	L	73.6	Confident	71.5	Confident	155 Å²	155	73 Å²	73	81%	0.812	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-5.8	177.1	-60.8	177.1	0	0	0	113.3	D226	D226-L228 PolarHBondContact O-N 3.27Å; D226-L228 VanDerWaalsContact O-N 3.07Å; D226-L228 PolarHBondContact OD1-N 3.08Å
229	G	79.8	Confident	74.2	Confident	13 Å²	13	70.1 Å²	70.1	13%	0.134	41%	0.408	C	S	.	.	S	Bend	trans	-91.3	-164.4	179.9	0	0	0	0	0	113.9	Y200 D226 P231 Y248	Y200-G229 CarbonylContact O-C 3.56Å; Y200-G229 VanDerWaalsContact O-CA 3.25Å; Y200-G229 WeakPolarHBondContact O-CA 3.45Å; D226-G229 PolarHBondContact O-N 2.98Å; G229-P231 WeakPolarHBondContact O-CD 3.39Å; G229-Y248 WeakPolarHBondContact O-CE1 3.22Å
230	C	83.3	Confident	76.6	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.007	41%	0.41	C	S	.	.			trans	-61.2	118.8	176.5	-176.9	0	0	0	0	111.3	C198 Y200 G201 F232 C246 Y248	C198-C230 HydrophobicContact CB-CB 3.98Å; Y200-C230 PolarHBondContact O-N 2.76Å; G201-C230 WeakPolarHBondContact CA-O 3.36Å; C230-F232 PolarHBondContact O-N 3.32Å; C230-C246 VanDerWaalsContact SG-SG 3.63Å; C230-Y248 HydrophobicContact CB-CD2 4.12Å; C230-Y248 HydrophobicContact CB-CG 4.16Å
231	P	81.1	Confident	79	Confident	86 Å²	86	71.1 Å²	71.1	56%	0.558	40%	0.401	S	S	*	.			trans	-78.9	-5.8	-177.5	33.3	-37	0	0	0	113.4	G229 Y248	G229-P231 WeakPolarHBondContact O-CD 3.39Å; P231-Y248 VanDerWaalsContact CD-CE2 3.5Å; P231-Y248 HydrophobicContact CG-CE2 4.42Å
232	F	82.6	Confident	80.6	Confident	112 Å²	112	70.3 Å²	70.3	49%	0.491	38%	0.383	S	S	.	.			trans	-80.7	123.4	-172.9	-67.4	-68.3	0	0	0	113	C198 C230 I234 H242	C198-F232 PolarHBondContact N-O 2.75Å; C230-F232 PolarHBondContact O-N 3.32Å; F232-I234 HydrophobicContact CB-CG2 4.28Å; F232-H242 AromaticContact CD2-CE1 3.96Å
233	T	85.2	Confident	81.8	Confident	56 Å²	56	67.6 Å²	67.6	34%	0.344	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	129.6	160.4	-52.4	0	0	0	0	109.3	A132 F195 I196 H197	A132-T233 HydrophobicContact CB-CG2 3.41Å; A132-T233 VanDerWaalsContact CB-CG2 3.41Å; F195-T233 HydrophobicContact CB-CG2 3.69Å; F195-T233 HydrophobicContact CD1-CG2 4.01Å; F195-T233 HydrophobicContact CG-CG2 4.28Å; I196-T233 CarbonylContact O-C 3.6Å; I196-T233 WeakPolarHBondContact O-CA 3.49Å; I196-T233 WeakPolarHBondContact O-CG2 3.37Å; H197-T233 PolarHBondContact CE1-OG1 3.06Å
234	I	88.3	Confident	82.2	Confident	16 Å²	16	67.8 Å²	67.8	8%	0.082	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154	-173.1	63.4	-176.2	0	0	0	110.9	F195 I196 C198 F232 H242	F195-I234 WeakPolarHBondContact CA-O 3.44Å; I196-I234 HydrophobicContact CD1-CG1 4.5Å; I196-I234 HydrophobicContact CG1-CG1 4.06Å; I196-I234 WeakPolarHBondContact CG1-O 3.44Å; I196-I234 PolarHBondContact N-O 2.95Å; I196-I234 PolarHBondContact O-N 2.85Å; C198-I234 HydrophobicContact CB-CD1 4.35Å; F232-I234 HydrophobicContact CB-CG2 4.28Å; I234-H242 HydrophobicContact CD1-CB 4.08Å; I234-H242 HydrophobicContact CG2-CB 4.27Å
235	K	87.7	Confident	82.4	Confident	66 Å²	66	67.2 Å²	67.2	29%	0.287	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	141.6	170.4	-65	-171	178.9	-173	0	110.3	E193 F195 S237 C238 R239	E193-K235 VanDerWaalsContact OE1-CD 3.31Å; E193-K235 WeakPolarHBondContact OE1-CD 3.28Å; E193-K235 IonicContact OE1-NZ 2.83Å; E193-K235 PolarHBondContact OE1-NZ 2.72Å; E193-K235 IonicContact OE2-NZ 3.14Å; E193-K235 PolarHBondContact OE2-NZ 3.27Å; F195-K235 HydrophobicContact CD1-CG 4.2Å; F195-K235 HydrophobicContact CE1-CG 3.7Å; F195-K235 HydrophobicContact CZ-CG 3.87Å; K235-S237 PolarHBondContact O-N 2.66Å; K235-C238 PolarHBondContact O-N 3.27Å; K235-C238 VanDerWaalsContact O-N 3.08Å; K235-R239 PolarHBondContact O-N 3.25Å
236	L	85.1	Confident	82.6	Confident	39 Å²	39	64.5 Å²	64.5	20%	0.204	36%	0.359	C	S	.	.	S	Bend	trans	-59	-32.7	179.3	-176.5	62.3	0	0	0	112.4	I191 G192 L194 I196 R239	I191-L236 HydrophobicContact CG2-CD2 3.89Å; G192-L236 PolarHBondContact O-N 2.92Å; L194-L236 WeakPolarHBondContact O-CB 3.32Å; L194-L236 PolarHBondContact O-N 2.91Å; I196-L236 HydrophobicContact CD1-CD1 3.73Å; I196-L236 HydrophobicContact CG1-CD1 4.35Å; I196-L236 HydrophobicContact CG2-CD1 4.4Å; L236-R239 WeakPolarHBondContact O-CB 3.46Å; L236-R239 PolarHBondContact O-N 3.09Å
237	S	84	Confident	82.8	Confident	72 Å²	72	66 Å²	66	50%	0.503	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-45.6	172.6	52.5	0	0	0	0	113.2	G192 K235 R239	G192-S237 PolarHBondContact O-N 2.77Å; G192-S237 PolarHBondContact O-OG 3.49Å; K235-S237 PolarHBondContact O-N 2.66Å; S237-R239 VanDerWaalsContact C-N 3.28Å; S237-R239 PolarHBondContact O-N 2.84Å
238	C	84.6	Confident	83.3	Confident	51 Å²	51	64.4 Å²	64.4	35%	0.345	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	2.7	-177.8	-61.1	0	0	0	0	114.1	K235 K240 E241 H242	K235-C238 PolarHBondContact O-N 3.27Å; K235-C238 VanDerWaalsContact O-N 3.08Å; C238-K240 VanDerWaalsContact C-N 3.34Å; C238-K240 PolarHBondContact O-N 2.98Å; C238-E241 PolarHBondContact O-N 2.87Å; C238-H242 PolarHBondContact O-N 2.87Å
239	R	84.4	Confident	83.8	Confident	17 Å²	17	61.7 Å²	61.7	6%	0.064	33%	0.326	C	S	.	.	H	α-helix	trans	-48.5	-51.2	-172.3	-175.7	-175.4	-173.1	155	30.7	113.1	E127 P128 I196 K235 L236 S237 E241 E243	E127-R239 IonicContact OE2-CZ 2.76Å; E127-R239 IonicContact OE2-NE 3.18Å; E127-R239 IonicContact OE2-NH1 2.67Å; E127-R239 PolarHBondContact OE2-NH1 3.49Å; P128-R239 PolarHBondContact O-NH2 2.88Å; I196-R239 HydrophobicContact CD1-CB 4.41Å; I196-R239 HydrophobicContact CD1-CG 4.1Å; K235-R239 PolarHBondContact O-N 3.25Å; L236-R239 WeakPolarHBondContact O-CB 3.46Å; L236-R239 PolarHBondContact O-N 3.09Å; S237-R239 VanDerWaalsContact C-N 3.28Å; S237-R239 PolarHBondContact O-N 2.84Å; R239-E241 PolarHBondContact O-N 3.32Å; R239-E243 HydrophobicContact CG-CG 4.38Å; R239-E243 WeakPolarHBondContact CG-OE1 3.49Å; R239-E243 IonicContact CZ-OE1 2.66Å; R239-E243 IonicContact NE-OE1 3.03Å; R239-E243 PolarHBondContact NE-OE1 2.61Å; R239-E243 IonicContact NE-OE2 2.78Å; R239-E243 IonicContact NH2-OE1 2.64Å; R239-E243 PolarHBondContact NH2-OE1 2.89Å; R239-E243 WeakPolarHBondContact O-CB 3.4Å; R239-E243 VanDerWaalsContact O-CG 3.28Å; R239-E243 WeakPolarHBondContact O-CG 3.12Å; R239-E243 PolarHBondContact O-N 2.86Å
240	K	82.9	Confident	83.8	Confident	176 Å²	176	65.1 Å²	65.1	77%	0.765	35%	0.346	S	S	*	.	H	α-helix	trans	-68.5	-33.3	-173.9	-67.1	-173	177	-176.3	0	113.2	C238 A244	C238-K240 VanDerWaalsContact C-N 3.34Å; C238-K240 PolarHBondContact O-N 2.98Å; K240-A244 WeakPolarHBondContact O-CB 3.37Å; K240-A244 PolarHBondContact O-N 2.95Å
241	E	83.9	Confident	83.7	Confident	143 Å²	143	66.6 Å²	66.6	67%	0.668	36%	0.355	S	S	*	.	H	α-helix	trans	-72	-48.2	-178.8	-62	176	157.4	0	0	110.4	C238 R239 A244 S245	C238-E241 PolarHBondContact O-N 2.87Å; R239-E241 PolarHBondContact O-N 3.32Å; E241-A244 WeakPolarHBondContact O-CB 3.33Å; E241-A244 PolarHBondContact O-N 3.2Å; E241-S245 PolarHBondContact O-N 3.43Å; E241-S245 PolarHBondContact O-OG 3.41Å
242	H	84	Confident	83.6	Confident	37 Å²	37	71.3 Å²	71.3	17%	0.171	36%	0.361	C	S	.	.	H	α-helix	trans	-66.2	-42	176.1	176	86.1	0	0	0	112.4	F232 I234 C238 A244 S245 C246	F232-H242 AromaticContact CD2-CE1 3.96Å; I234-H242 HydrophobicContact CD1-CB 4.08Å; I234-H242 HydrophobicContact CG2-CB 4.27Å; C238-H242 PolarHBondContact O-N 2.87Å; H242-A244 PolarHBondContact O-N 3.24Å; H242-S245 PolarHBondContact O-N 3.01Å; H242-S245 VanDerWaalsContact O-N 3.15Å; H242-C246 VanDerWaalsContact O-CB 3.3Å; H242-C246 WeakPolarHBondContact O-CB 3.3Å; H242-C246 PolarHBondContact O-N 3.23Å
243	E	84.2	Confident	83.2	Confident	12 Å²	12	66.2 Å²	66.2	6%	0.056	34%	0.34	C	S	.	.	H	α-helix	trans	-65.5	-22.3	177.1	-73.1	178.1	177.4	0	0	113	K199 Y200 R239	K199-E243 VanDerWaalsContact CD-CD 3.48Å; K199-E243 HydrophobicContact CD-CG 4.39Å; K199-E243 WeakPolarHBondContact CD-OE1 3.22Å; K199-E243 WeakPolarHBondContact CD-OE2 3.5Å; K199-E243 WeakPolarHBondContact CE-OE2 3.37Å; K199-E243 HydrophobicContact CG-CG 4.21Å; K199-E243 WeakPolarHBondContact CG-OE1 3.46Å; K199-E243 PolarHBondContact N-OE1 3.23Å; K199-E243 IonicContact NZ-OE2 2.64Å; K199-E243 PolarHBondContact NZ-OE2 2.95Å; Y200-E243 HydrophobicContact CE2-CB 4.25Å; Y200-E243 HydrophobicContact CE2-CG 4.44Å; R239-E243 HydrophobicContact CG-CG 4.38Å; R239-E243 WeakPolarHBondContact CG-OE1 3.49Å; R239-E243 IonicContact CZ-OE1 2.66Å; R239-E243 IonicContact NE-OE1 3.03Å; R239-E243 PolarHBondContact NE-OE1 2.61Å; R239-E243 IonicContact NE-OE2 2.78Å; R239-E243 IonicContact NH2-OE1 2.64Å; R239-E243 PolarHBondContact NH2-OE1 2.89Å; R239-E243 WeakPolarHBondContact O-CB 3.4Å; R239-E243 VanDerWaalsContact O-CG 3.28Å; R239-E243 WeakPolarHBondContact O-CG 3.12Å; R239-E243 PolarHBondContact O-N 2.86Å
244	A	81.4	Confident	82.6	Confident	57 Å²	57	68.1 Å²	68.1	47%	0.471	35%	0.353	S	S	.	.	H	α-helix	trans	-73.6	-38.5	171.9	0	0	0	0	0	112.4	K240 E241 H242 R249	K240-A244 WeakPolarHBondContact O-CB 3.37Å; K240-A244 PolarHBondContact O-N 2.95Å; E241-A244 WeakPolarHBondContact O-CB 3.33Å; E241-A244 PolarHBondContact O-N 3.2Å; H242-A244 PolarHBondContact O-N 3.24Å; A244-R249 PolarHBondContact O-NH1 3.21Å
245	S	82.1	Confident	81.8	Confident	83 Å²	83	69.4 Å²	69.4	58%	0.58	36%	0.36	S	S	*	.	H	α-helix	trans	-102.9	-3	-173	58.8	0	0	0	0	115.9	E241 H242 D247	E241-S245 PolarHBondContact O-N 3.43Å; E241-S245 PolarHBondContact O-OG 3.41Å; H242-S245 PolarHBondContact O-N 3.01Å; H242-S245 VanDerWaalsContact O-N 3.15Å; S245-D247 PolarHBondContact O-N 3.47Å
246	C	84.9	Confident	81.1	Confident	3 Å²	3	68 Å²	68	2%	0.02	36%	0.355	C	S	.	.			trans	-56.1	132.1	-172.6	179.9	0	0	0	0	114.6	Y200 C230 H242 Y248 R249 T264	Y200-C246 HydrophobicContact CD2-CB 4.26Å; C230-C246 VanDerWaalsContact SG-SG 3.63Å; H242-C246 VanDerWaalsContact O-CB 3.3Å; H242-C246 WeakPolarHBondContact O-CB 3.3Å; H242-C246 PolarHBondContact O-N 3.23Å; C246-Y248 VanDerWaalsContact C-N 3.27Å; C246-Y248 PolarHBondContact O-N 2.96Å; C246-Y248 PolarHBondContact SG-N 3.33Å; C246-R249 HydrophobicContact CB-CB 4.36Å; C246-R249 WeakPolarHBondContact O-CB 3.44Å; C246-R249 PolarHBondContact O-N 2.97Å; C246-T264 PolarHBondContact O-OG1 3.04Å; C246-T264 VanDerWaalsContact O-OG1 3.05Å
247	D	81.7	Confident	80.3	Confident	74 Å²	74	70.3 Å²	70.3	40%	0.396	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-34	178.3	-72	-57.4	0	0	0	113.8	S245 R249 T264 M265	S245-D247 PolarHBondContact O-N 3.47Å; D247-R249 VanDerWaalsContact C-N 3.27Å; D247-R249 PolarHBondContact O-N 3.01Å; D247-T264 PolarHBondContact O-N 2.82Å; D247-M265 HydrophobicContact CB-CB 4.2Å; D247-M265 PolarHBondContact O-N 2.88Å
248	Y	84.3	Confident	79.7	Confident	84 Å²	84	72 Å²	72	33%	0.329	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	4.6	179.4	-65.7	-102.6	0	0	0	112.9	G229 C230 P231 C246 L263	G229-Y248 WeakPolarHBondContact O-CE1 3.22Å; C230-Y248 HydrophobicContact CB-CD2 4.12Å; C230-Y248 HydrophobicContact CB-CG 4.16Å; P231-Y248 VanDerWaalsContact CD-CE2 3.5Å; P231-Y248 HydrophobicContact CG-CE2 4.42Å; C246-Y248 VanDerWaalsContact C-N 3.27Å; C246-Y248 PolarHBondContact O-N 2.96Å; C246-Y248 PolarHBondContact SG-N 3.33Å; Y248-L263 HydrophobicContact CD1-CD1 4.44Å
249	R	84.1	Confident	79	Confident	98 Å²	98	70.7 Å²	70.7	37%	0.37	38%	0.376	S	S	.	.	S	Bend	trans	-71.1	132.4	173.7	-176.9	-177.2	143	176.5	-1.1	109.8	Y200 A244 C246 D247 T264	Y200-R249 HydrophobicContact CD2-CB 4.5Å; Y200-R249 HydrophobicContact CE2-CB 4.27Å; Y200-R249 HydrophobicContact CE2-CG 4.16Å; A244-R249 PolarHBondContact O-NH1 3.21Å; C246-R249 HydrophobicContact CB-CB 4.36Å; C246-R249 WeakPolarHBondContact O-CB 3.44Å; C246-R249 PolarHBondContact O-N 2.97Å; D247-R249 VanDerWaalsContact C-N 3.27Å; D247-R249 PolarHBondContact O-N 3.01Å; R249-T264 PolarHBondContact O-N 3.25Å; R249-T264 PolarHBondContact O-OG1 3.2Å
250	P	80.5	Confident	78.5	Confident	85 Å²	85	74.1 Å²	74.1	55%	0.552	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	134.5	172.3	-24	35.2	0	0	0	112.7	L262	P250-L262 CarbonylContact C-O 3.51Å; P250-L262 WeakPolarHBondContact CA-O 3.36Å
251	V	80.6	Confident	78.1	Confident	31 Å²	31	71.3 Å²	71.3	19%	0.188	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	169.1	176.5	-61.4	0	0	0	0	110.7	L262 L267	V251-L262 HydrophobicContact CG2-CB 4.1Å; V251-L262 PolarHBondContact N-O 2.88Å; V251-L262 PolarHBondContact O-N 2.91Å; V251-L262 VanDerWaalsContact O-N 3.11Å; V251-L267 HydrophobicContact CG2-CD2 4.41Å
252	R	78	Confident	78	Confident	186 Å²	186	65.8 Å²	65.8	70%	0.702	38%	0.375	S	S	*	.			trans	-124	153.6	175.4	-63.3	-170.1	-175.5	-165.2	3.5	110.4	P254	R252-P254 WeakPolarHBondContact O-CD 3.37Å
253	C	75.9	Confident	77.9	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.034	38%	0.383	C	S	.	.			trans	-64.9	128	178.2	-176.3	0	0	0	0	111.7	N255 N256 C259 H270	C253-N255 VanDerWaalsContact C-N 3.31Å; C253-N255 PolarHBondContact O-N 3.15Å; C253-N255 PolarHBondContact SG-N 2.81Å; C253-N256 CarbonylContact O-C 3.59Å; C253-C259 HydrophobicContact CB-CB 3.68Å; C253-H270 VanDerWaalsContact SG-CD2 3.54Å; C253-H270 PolarHBondContact SG-NE2 3.49Å
254	P	72.7	Confident	77.8	Confident	96 Å²	96	68.9 Å²	68.9	62%	0.623	39%	0.394	S	S	*	.	S	Bend	trans	-59.6	-34.8	173.7	-26.8	34.8	0	0	0	114.5	R252	R252-P254 WeakPolarHBondContact O-CD 3.37Å
255	N	70.4	Confident	77.7	Confident	42 Å²	42	72.3 Å²	72.3	23%	0.225	40%	0.402	C	S	.	.	S	Bend	trans	-73.3	-35.7	-173.8	-65	-11.4	0	0	0	112.3	C253 C274	C253-N255 VanDerWaalsContact C-N 3.31Å; C253-N255 PolarHBondContact O-N 3.15Å; C253-N255 PolarHBondContact SG-N 2.81Å; N255-C274 PolarHBondContact ND2-SG 3.49Å; N255-C274 VanDerWaalsContact ND2-SG 3.37Å
256	N	73.8	Confident	77.6	Confident	36 Å²	36	71.8 Å²	71.8	19%	0.193	39%	0.393	C	S	.	.			trans	-151.5	116.2	179.3	-172.7	-2.4	0	0	0	111.6	C253 S258 C259 H276	C253-N256 CarbonylContact O-C 3.59Å; N256-S258 PolarHBondContact O-N 3.32Å; N256-S258 WeakPolarHBondContact OD1-CB 3.48Å; N256-S258 PolarHBondContact OD1-N 3.45Å; N256-S258 VanDerWaalsContact OD1-N 3.08Å; N256-S258 PolarHBondContact OD1-OG 3.03Å; N256-C259 PolarHBondContact O-N 3.3Å; N256-C259 VanDerWaalsContact O-N 3.17Å; N256-H276 HydrophobicContact CB-CB 4.31Å; N256-H276 PolarHBondContact ND2-CD2 2.9Å; N256-H276 VanDerWaalsContact ND2-CD2 3.29Å; N256-H276 PolarHBondContact ND2-NE2 2.82Å
257	P	67.4	Low	77.2	Confident	89 Å²	89	73.5 Å²	73.5	58%	0.578	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.7	175.9	-25.2	35.3	0	0	0	115.7
258	S	70.6	Confident	77	Confident	107 Å²	107	76.1 Å²	76.1	75%	0.748	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.1	178.3	-55.1	0	0	0	0	114.3	N256	N256-S258 PolarHBondContact O-N 3.32Å; N256-S258 WeakPolarHBondContact OD1-CB 3.48Å; N256-S258 PolarHBondContact OD1-N 3.45Å; N256-S258 VanDerWaalsContact OD1-N 3.08Å; N256-S258 PolarHBondContact OD1-OG 3.03Å
259	C	71.1	Confident	76.6	Confident	24 Å²	24	75 Å²	75	16%	0.162	42%	0.42	C	S	.	.	S	Bend	trans	-64.4	157.6	169.5	-67.2	0	0	0	0	111.1	C253 N256	C253-C259 HydrophobicContact CB-CB 3.68Å; N256-C259 PolarHBondContact O-N 3.3Å; N256-C259 VanDerWaalsContact O-N 3.17Å
260	P	74.5	Confident	76.4	Confident	88 Å²	88	72.4 Å²	72.4	57%	0.571	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-53.5	153.4	176.5	-26.4	35.4	0	0	0	113	L262	P260-L262 PolarHBondContact O-N 2.94Å
261	P	74.4	Confident	76.1	Confident	117 Å²	117	71 Å²	71	76%	0.76	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-63	131.2	171.5	27.7	-33.8	0	0	0	109.9
262	L	80.6	Confident	75.7	Confident	27 Å²	27	76.4 Å²	76.4	14%	0.141	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	158.9	-177.3	-68.1	166.3	0	0	0	110.3	P250 V251 P260 N266 L267 H270	P250-L262 CarbonylContact C-O 3.51Å; P250-L262 WeakPolarHBondContact CA-O 3.36Å; V251-L262 HydrophobicContact CG2-CB 4.1Å; V251-L262 PolarHBondContact N-O 2.88Å; V251-L262 PolarHBondContact O-N 2.91Å; V251-L262 VanDerWaalsContact O-N 3.11Å; P260-L262 PolarHBondContact O-N 2.94Å; L262-N266 HydrophobicContact CD2-CB 4.37Å; L262-L267 HydrophobicContact CD1-CD1 4.06Å; L262-H270 HydrophobicContact CD1-CB 3.87Å; L262-H270 VanDerWaalsContact CD1-CD2 3.48Å; L262-H270 WeakPolarHBondContact CD1-CD2 3.28Å
263	L	83.4	Confident	75.4	Confident	66 Å²	66	75.4 Å²	75.4	35%	0.346	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	151.4	161.8	-57.1	-176.3	0	0	0	108.6	Y248 M265 N266	Y248-L263 HydrophobicContact CD1-CD1 4.44Å; L263-M265 PolarHBondContact O-N 2.9Å; L263-M265 VanDerWaalsContact O-N 3.15Å; L263-N266 PolarHBondContact O-N 2.75Å
264	T	80.9	Confident	75.3	Confident	48 Å²	48	75.4 Å²	75.4	29%	0.294	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-48.9	-44.5	-177.5	-44.5	0	0	0	0	112.2	C246 D247 R249 N266 L267	C246-T264 PolarHBondContact O-OG1 3.04Å; C246-T264 VanDerWaalsContact O-OG1 3.05Å; D247-T264 PolarHBondContact O-N 2.82Å; R249-T264 PolarHBondContact O-N 3.25Å; R249-T264 PolarHBondContact O-OG1 3.2Å; T264-N266 VanDerWaalsContact C-N 3.25Å; T264-N266 PolarHBondContact O-N 2.97Å; T264-L267 WeakPolarHBondContact O-CB 3.5Å; T264-L267 PolarHBondContact O-N 2.92Å
265	M	79	Confident	75.3	Confident	129 Å²	129	77.9 Å²	77.9	64%	0.635	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-58.8	-30.8	-180	-165.2	-174	69.8	0	0	114.1	D247 L263	D247-M265 HydrophobicContact CB-CB 4.2Å; D247-M265 PolarHBondContact O-N 2.88Å; L263-M265 PolarHBondContact O-N 2.9Å; L263-M265 VanDerWaalsContact O-N 3.15Å
266	N	79.9	Confident	75.5	Confident	73 Å²	73	79.6 Å²	79.6	39%	0.39	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-89.8	-3.5	-175.5	-65	-14.1	0	0	0	113.1	L262 L263 T264 H270	L262-N266 HydrophobicContact CD2-CB 4.37Å; L263-N266 PolarHBondContact O-N 2.75Å; T264-N266 VanDerWaalsContact C-N 3.25Å; T264-N266 PolarHBondContact O-N 2.97Å; N266-H270 PolarHBondContact O-N 3.16Å
267	L	77.2	Confident	75.6	Confident	38 Å²	38	78.8 Å²	78.8	20%	0.199	43%	0.429	C	S	.	.	H	α-helix	trans	-70.3	-40.6	-171.4	-176.6	60.2	0	0	0	113.1	V251 L262 T264 H270 L271	V251-L267 HydrophobicContact CG2-CD2 4.41Å; L262-L267 HydrophobicContact CD1-CD1 4.06Å; T264-L267 WeakPolarHBondContact O-CB 3.5Å; T264-L267 PolarHBondContact O-N 2.92Å; L267-H270 PolarHBondContact O-N 2.9Å; L267-L271 HydrophobicContact CD1-CD1 4.42Å; L267-L271 HydrophobicContact CD1-CG 4.36Å; L267-L271 HydrophobicContact CG-CD1 4.13Å; L267-L271 WeakPolarHBondContact O-CG 3.45Å; L267-L271 PolarHBondContact O-N 3.37Å
268	E	77	Confident	76	Confident	129 Å²	129	79.5 Å²	79.5	60%	0.603	42%	0.423	S	S	*	.	H	α-helix	trans	-68.4	-37.6	-177	-161.5	-162.5	134.2	0	0	112.4	L271 K272	E268-L271 PolarHBondContact O-N 2.81Å; E268-K272 PolarHBondContact O-N 3.31Å; E268-K272 WeakPolarHBondContact OE1-CE 3.15Å; E268-K272 IonicContact OE1-NZ 3Å; E268-K272 PolarHBondContact OE1-NZ 2.82Å
269	A	77.1	Confident	76.2	Confident	60 Å²	60	74.4 Å²	74.4	50%	0.496	39%	0.387	S	S	.	.	H	α-helix	trans	-63.4	-49.2	173.5	0	0	0	0	0	110.8	L271 K272 E273	A269-L271 VanDerWaalsContact C-N 3.27Å; A269-L271 PolarHBondContact O-N 2.68Å; A269-K272 PolarHBondContact O-N 2.8Å; A269-K272 VanDerWaalsContact O-N 3.16Å; A269-E273 PolarHBondContact O-N 2.79Å
270	H	78.4	Confident	76.1	Confident	44 Å²	44	76.2 Å²	76.2	20%	0.204	40%	0.398	C	S	.	.	H	α-helix	trans	-58.9	-35.8	177.8	176.5	63.3	0	0	0	113.2	C253 L262 N266 L267 K272 E273 C274	C253-H270 VanDerWaalsContact SG-CD2 3.54Å; C253-H270 PolarHBondContact SG-NE2 3.49Å; L262-H270 HydrophobicContact CD1-CB 3.87Å; L262-H270 VanDerWaalsContact CD1-CD2 3.48Å; L262-H270 WeakPolarHBondContact CD1-CD2 3.28Å; N266-H270 PolarHBondContact O-N 3.16Å; L267-H270 PolarHBondContact O-N 2.9Å; H270-K272 VanDerWaalsContact C-N 3.33Å; H270-K272 PolarHBondContact O-N 2.67Å; H270-E273 PolarHBondContact O-N 2.83Å; H270-C274 WeakPolarHBondContact O-CB 3.18Å; H270-C274 PolarHBondContact O-N 2.83Å; H270-C274 VanDerWaalsContact O-N 3.17Å
271	L	74.1	Confident	75.9	Confident	56 Å²	56	73 Å²	73	29%	0.293	38%	0.376	S	S	.	.	H	α-helix	trans	-66.4	-32	179.1	-78	170.6	0	0	0	113.3	L267 E268 A269 C274	L267-L271 HydrophobicContact CD1-CD1 4.42Å; L267-L271 HydrophobicContact CD1-CG 4.36Å; L267-L271 HydrophobicContact CG-CD1 4.13Å; L267-L271 WeakPolarHBondContact O-CG 3.45Å; L267-L271 PolarHBondContact O-N 3.37Å; E268-L271 PolarHBondContact O-N 2.81Å; A269-L271 VanDerWaalsContact C-N 3.27Å; A269-L271 PolarHBondContact O-N 2.68Å; L271-C274 WeakPolarHBondContact O-CB 3.43Å
272	K	73.7	Confident	75.7	Confident	144 Å²	144	69.7 Å²	69.7	63%	0.626	36%	0.356	S	S	*	.	H	α-helix	trans	-74.8	-30.1	178.2	-68.3	167.2	-173.1	169.8	0	112.8	E268 A269 H270	E268-K272 PolarHBondContact O-N 3.31Å; E268-K272 WeakPolarHBondContact OE1-CE 3.15Å; E268-K272 IonicContact OE1-NZ 3Å; E268-K272 PolarHBondContact OE1-NZ 2.82Å; A269-K272 PolarHBondContact O-N 2.8Å; A269-K272 VanDerWaalsContact O-N 3.16Å; H270-K272 VanDerWaalsContact C-N 3.33Å; H270-K272 PolarHBondContact O-N 2.67Å
273	E	71.6	Confident	75.1	Confident	165 Å²	165	75.1 Å²	75.1	77%	0.771	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	10.6	177.2	-62.5	177.4	176.4	0	0	112.5	A269 H270 E275	A269-E273 PolarHBondContact O-N 2.79Å; H270-E273 PolarHBondContact O-N 2.83Å; E273-E275 PolarHBondContact O-N 2.71Å
274	C	73.9	Confident	74.2	Confident	5 Å²	5	75.4 Å²	75.4	3%	0.034	38%	0.375	C	S	.	.			trans	-79.9	106.9	-172.3	-163.2	0	0	0	0	112.2	N255 H270 L271 H276 I277	N255-C274 PolarHBondContact ND2-SG 3.49Å; N255-C274 VanDerWaalsContact ND2-SG 3.37Å; H270-C274 WeakPolarHBondContact O-CB 3.18Å; H270-C274 PolarHBondContact O-N 2.83Å; H270-C274 VanDerWaalsContact O-N 3.17Å; L271-C274 WeakPolarHBondContact O-CB 3.43Å; C274-H276 PolarHBondContact O-N 2.98Å; C274-I277 WeakPolarHBondContact O-CG1 3.48Å
275	E	72.8	Confident	73.6	Confident	149 Å²	149	75.6 Å²	75.6	70%	0.696	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	7.1	175.7	-56	-176.4	135.6	0	0	114.8	E273 G290	E273-E275 PolarHBondContact O-N 2.71Å; E275-G290 CarbonylContact C-O 3.55Å; E275-G290 VanDerWaalsContact C-O 3.25Å; E275-G290 CarbonylContact O-C 3.58Å
276	H	74.9	Confident	73.4	Confident	77 Å²	77	70.1 Å²	70.1	36%	0.356	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	23	-170.7	-67.3	72.2	0	0	0	113.3	N256 C274 K278	N256-H276 HydrophobicContact CB-CB 4.31Å; N256-H276 PolarHBondContact ND2-CD2 2.9Å; N256-H276 VanDerWaalsContact ND2-CD2 3.29Å; N256-H276 PolarHBondContact ND2-NE2 2.82Å; C274-H276 PolarHBondContact O-N 2.98Å; H276-K278 PolarHBondContact O-N 3.15Å
277	I	75.1	Confident	73.3	Confident	20 Å²	20	73.2 Å²	73.2	10%	0.103	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.5	177.8	-59.8	165.7	0	0	0	108.8	C274 I289 G290 Q292 Y295	C274-I277 WeakPolarHBondContact O-CG1 3.48Å; I277-I289 CarbonylContact O-C 3.58Å; I277-I289 WeakPolarHBondContact O-CA 3.34Å; I277-G290 WeakPolarHBondContact CB-O 3.23Å; I277-G290 PolarHBondContact N-O 3.48Å; I277-G290 PolarHBondContact O-N 3.44Å; I277-Q292 HydrophobicContact CD1-CB 4.46Å; I277-Y295 HydrophobicContact CG2-CD2 3.49Å; I277-Y295 VanDerWaalsContact CG2-CD2 3.49Å; I277-Y295 HydrophobicContact CG2-CE2 3.79Å; I277-Y295 HydrophobicContact CG2-CG 3.96Å
278	K	76.1	Confident	73.3	Confident	104 Å²	104	73.3 Å²	73.3	45%	0.452	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	142.5	-178.4	-56	-178	-176.7	163.5	0	110	H276 I289 Y295	H276-K278 PolarHBondContact O-N 3.15Å; K278-I289 HydrophobicContact CG-CG1 4.2Å; K278-I289 HydrophobicContact CG-CG2 4.42Å; K278-Y295 WeakPolarHBondContact O-CE2 3.5Å
279	C	73.9	Confident	73.3	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.376	C	S	.	.			trans	-55.1	141.6	174	174.3	0	0	0	0	111.2	H281 S282 C286 F288 H298	C279-H281 PolarHBondContact O-N 3Å; C279-H281 VanDerWaalsContact O-N 3.14Å; C279-H281 PolarHBondContact SG-N 3.18Å; C279-S282 WeakPolarHBondContact O-CB 3.41Å; C279-S282 PolarHBondContact O-N 3.06Å; C279-S282 PolarHBondContact O-OG 3.47Å; C279-C286 HydrophobicContact CB-CB 4.34Å; C279-F288 HydrophobicContact CB-CB 3.96Å; C279-F288 HydrophobicContact CB-CD1 4.12Å; C279-F288 HydrophobicContact CB-CG 4.45Å; C279-F288 PolarHBondContact N-O 2.81Å; C279-H298 PolarHBondContact SG-NE2 2.68Å; C279-H298 VanDerWaalsContact SG-NE2 3.36Å
280	P	70.2	Confident	73.3	Confident	61 Å²	61	69.4 Å²	69.4	40%	0.396	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-61.6	-25	178.9	-22.3	35.6	0	0	0	112.7	S282 K283 Y295 L299	P280-S282 PolarHBondContact O-N 2.97Å; P280-K283 WeakPolarHBondContact O-CG 3.2Å; P280-Y295 HydrophobicContact CG-CE2 4.34Å; P280-Y295 VanDerWaalsContact CG-OH 3.23Å; P280-Y295 WeakPolarHBondContact CG-OH 3.37Å; P280-L299 HydrophobicContact CG-CD2 4.38Å
281	H	70.2	Confident	73.4	Confident	21 Å²	21	70.6 Å²	70.6	10%	0.097	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-84	7.3	175.7	-53.7	-85.9	0	0	0	113.3	C279 K283 Y284 G285 C286 F304 E305	C279-H281 PolarHBondContact O-N 3Å; C279-H281 VanDerWaalsContact O-N 3.14Å; C279-H281 PolarHBondContact SG-N 3.18Å; H281-K283 VanDerWaalsContact C-N 3.26Å; H281-K283 PolarHBondContact O-N 2.83Å; H281-Y284 HydrophobicContact CB-CD2 4.16Å; H281-Y284 AromaticContact ND1-CD2 3.95Å; H281-Y284 CarbonylContact O-C 3.56Å; H281-Y284 WeakPolarHBondContact O-CA 3.32Å; H281-Y284 PolarHBondContact O-N 3.26Å; H281-G285 PolarHBondContact O-N 2.81Å; H281-C286 HydrophobicContact CB-CB 4.12Å; H281-C286 WeakPolarHBondContact O-CB 3.24Å; H281-C286 PolarHBondContact O-N 3.14Å; H281-C286 VanDerWaalsContact O-N 3.14Å; H281-F304 HydrophobicContact CB-CB 3.79Å; H281-F304 HydrophobicContact CB-CD2 4.38Å; H281-F304 HydrophobicContact CB-CG 4.24Å; H281-E305 IonicContact NE2-OE2 2.62Å
282	S	70.9	Confident	73.3	Confident	48 Å²	48	71.9 Å²	71.9	34%	0.336	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-62.5	-32.1	174.4	57	0	0	0	0	112.9	C279 P280 Y284 G285 C286	C279-S282 WeakPolarHBondContact O-CB 3.41Å; C279-S282 PolarHBondContact O-N 3.06Å; C279-S282 PolarHBondContact O-OG 3.47Å; P280-S282 PolarHBondContact O-N 2.97Å; S282-Y284 PolarHBondContact O-N 2.81Å; S282-G285 PolarHBondContact O-N 3.43Å; S282-C286 WeakPolarHBondContact CA-O 3.39Å; S282-C286 WeakPolarHBondContact CB-O 3.5Å
283	K	66.1	Low	73.2	Confident	141 Å²	141	70.6 Å²	70.6	61%	0.613	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-58.2	-23.2	168	51.2	161.1	169.1	164.6	0	114	P280 H281 D315	P280-K283 WeakPolarHBondContact O-CG 3.2Å; H281-K283 VanDerWaalsContact C-N 3.26Å; H281-K283 PolarHBondContact O-N 2.83Å; K283-D315 IonicContact NZ-OD2 2.8Å; K283-D315 PolarHBondContact NZ-OD2 2.78Å
284	Y	66.4	Low	73.5	Confident	71 Å²	71	65.8 Å²	65.8	28%	0.278	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-103.3	11	177.4	-48.7	-64.6	0	0	0	113.2	H281 S282 F304 L311 D315	H281-Y284 HydrophobicContact CB-CD2 4.16Å; H281-Y284 AromaticContact ND1-CD2 3.95Å; H281-Y284 CarbonylContact O-C 3.56Å; H281-Y284 WeakPolarHBondContact O-CA 3.32Å; H281-Y284 PolarHBondContact O-N 3.26Å; S282-Y284 PolarHBondContact O-N 2.81Å; Y284-F304 WeakPolarHBondContact O-CE1 3.27Å; Y284-L311 HydrophobicContact CD1-CD1 4.13Å; Y284-L311 HydrophobicContact CD2-CD1 4.2Å; Y284-L311 HydrophobicContact CE1-CD1 4.09Å; Y284-L311 HydrophobicContact CE2-CD1 4.18Å; Y284-L311 HydrophobicContact CG-CD1 4.18Å; Y284-D315 PolarHBondContact OH-OD2 2.78Å
285	G	68.1	Low	73.6	Confident	52 Å²	52	67.7 Å²	67.7	54%	0.536	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	104	6.6	175.7	0	0	0	0	0	116	H281 S282 T287	H281-G285 PolarHBondContact O-N 2.81Å; S282-G285 PolarHBondContact O-N 3.43Å; G285-T287 PolarHBondContact O-N 3.17Å
286	C	74.3	Confident	73.7	Confident	15 Å²	15	65.8 Å²	65.8	10%	0.101	35%	0.35	C	S	.	.			trans	-71.4	117.2	171.6	-169.4	0	0	0	0	111.6	C279 H281 S282 F288 H298 F304	C279-C286 HydrophobicContact CB-CB 4.34Å; H281-C286 HydrophobicContact CB-CB 4.12Å; H281-C286 WeakPolarHBondContact O-CB 3.24Å; H281-C286 PolarHBondContact O-N 3.14Å; H281-C286 VanDerWaalsContact O-N 3.14Å; S282-C286 WeakPolarHBondContact CA-O 3.39Å; S282-C286 WeakPolarHBondContact CB-O 3.5Å; C286-F288 VanDerWaalsContact C-N 3.28Å; C286-F288 PolarHBondContact O-N 3.47Å; C286-H298 VanDerWaalsContact SG-CE1 3.55Å; C286-H298 PolarHBondContact SG-NE2 2.86Å; C286-F304 HydrophobicContact CB-CD2 4.01Å; C286-F304 HydrophobicContact CB-CE2 4Å
287	T	77.1	Confident	73.8	Confident	137 Å²	137	66.4 Å²	66.4	84%	0.84	36%	0.36	S	S	*	.			trans	-83.6	7.5	-176.6	51.4	0	0	0	0	114.8	G285 I289	G285-T287 PolarHBondContact O-N 3.17Å; T287-I289 PolarHBondContact O-N 2.83Å
288	F	77.5	Confident	74	Confident	41 Å²	41	67.4 Å²	67.4	18%	0.18	36%	0.364	C	S	.	.			trans	-68.5	128.7	-177.5	179	-85.6	0	0	0	112.6	C279 C286 T294 Y295 H298	C279-F288 HydrophobicContact CB-CB 3.96Å; C279-F288 HydrophobicContact CB-CD1 4.12Å; C279-F288 HydrophobicContact CB-CG 4.45Å; C279-F288 PolarHBondContact N-O 2.81Å; C286-F288 VanDerWaalsContact C-N 3.28Å; C286-F288 PolarHBondContact O-N 3.47Å; F288-T294 VanDerWaalsContact CZ-C 3.45Å; F288-T294 VanDerWaalsContact CZ-O 3.27Å; F288-T294 WeakPolarHBondContact CZ-O 3.49Å; F288-Y295 HydrophobicContact CE1-CD2 4.31Å; F288-H298 HydrophobicContact CD1-CB 4.39Å; F288-H298 AromaticContact CD1-CD2 3.98Å; F288-H298 HydrophobicContact CD2-CB 3.84Å; F288-H298 AromaticContact CD2-CG 3.58Å; F288-H298 AromaticContact CD2-ND1 3.66Å; F288-H298 HydrophobicContact CE1-CB 4.4Å; F288-H298 HydrophobicContact CE2-CB 3.83Å; F288-H298 HydrophobicContact CG-CB 4.14Å; F288-H298 AromaticContact CG-CD2 3.7Å; F288-H298 AromaticContact CG-CG 3.58Å; F288-H298 AromaticContact CG-ND1 3.83Å; F288-H298 HydrophobicContact CZ-CB 4.13Å
289	I	77.3	Confident	73.8	Confident	96 Å²	96	65 Å²	65	49%	0.492	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135	169.2	-47	-174.6	0	0	0	107.2	I277 K278 T287	I277-I289 CarbonylContact O-C 3.58Å; I277-I289 WeakPolarHBondContact O-CA 3.34Å; K278-I289 HydrophobicContact CG-CG1 4.2Å; K278-I289 HydrophobicContact CG-CG2 4.42Å; T287-I289 PolarHBondContact O-N 2.83Å
290	G	77.7	Confident	73.9	Confident	11 Å²	11	73.4 Å²	73.4	11%	0.113	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	-163.1	178.8	0	0	0	0	0	114.1	E275 I277	E275-G290 CarbonylContact C-O 3.55Å; E275-G290 VanDerWaalsContact C-O 3.25Å; E275-G290 CarbonylContact O-C 3.58Å; I277-G290 WeakPolarHBondContact CB-O 3.23Å; I277-G290 PolarHBondContact N-O 3.48Å; I277-G290 PolarHBondContact O-N 3.44Å
291	N	79.2	Confident	74.1	Confident	69 Å²	69	76.1 Å²	76.1	37%	0.369	41%	0.41	S	S	.	.			trans	-93.8	177.6	171.3	69.5	2.6	0	0	0	111	D293 T294 Y295	N291-D293 PolarHBondContact O-N 3.07Å; N291-T294 PolarHBondContact N-OG1 2.86Å; N291-T294 PolarHBondContact O-N 3.34Å; N291-T294 PolarHBondContact O-OG1 3.39Å; N291-T294 VanDerWaalsContact O-OG1 3.12Å; N291-T294 WeakPolarHBondContact OD1-CB 3.41Å; N291-T294 WeakPolarHBondContact OD1-CG2 3.37Å; N291-T294 PolarHBondContact OD1-N 3.46Å; N291-T294 PolarHBondContact OD1-OG1 2.92Å; N291-Y295 WeakPolarHBondContact O-CB 3.26Å; N291-Y295 PolarHBondContact O-N 2.65Å
292	Q	72.8	Confident	74.1	Confident	82 Å²	82	75.6 Å²	75.6	38%	0.383	41%	0.408	S	S	.	.	H	α-helix	trans	-56.5	-50.4	-174.2	-170.4	64.9	25.3	0	0	113.4	I277 T294 Y295 E296	I277-Q292 HydrophobicContact CD1-CB 4.46Å; Q292-T294 PolarHBondContact O-N 2.74Å; Q292-Y295 WeakPolarHBondContact O-CB 3.44Å; Q292-Y295 PolarHBondContact O-N 2.99Å; Q292-Y295 VanDerWaalsContact O-N 3.16Å; Q292-E296 PolarHBondContact NE2-OE1 2.89Å; Q292-E296 PolarHBondContact O-N 2.86Å
293	D	72.1	Confident	73.9	Confident	118 Å²	118	82.4 Å²	82.4	63%	0.631	43%	0.432	S	S	*	.	H	α-helix	trans	-64.9	-39.2	-176.1	-50.7	-19.5	0	0	0	112.7	N291 Y295 T297	N291-D293 PolarHBondContact O-N 3.07Å; D293-Y295 VanDerWaalsContact C-N 3.35Å; D293-T297 PolarHBondContact O-N 2.86Å; D293-T297 PolarHBondContact O-OG1 2.69Å
294	T	76.7	Confident	73.9	Confident	64 Å²	64	78.7 Å²	78.7	39%	0.393	42%	0.416	S	S	.	.	H	α-helix	trans	-74.5	-27	176.2	56	0	0	0	0	112.4	F288 N291 Q292 T297 H298	F288-T294 VanDerWaalsContact CZ-C 3.45Å; F288-T294 VanDerWaalsContact CZ-O 3.27Å; F288-T294 WeakPolarHBondContact CZ-O 3.49Å; N291-T294 PolarHBondContact N-OG1 2.86Å; N291-T294 PolarHBondContact O-N 3.34Å; N291-T294 PolarHBondContact O-OG1 3.39Å; N291-T294 VanDerWaalsContact O-OG1 3.12Å; N291-T294 WeakPolarHBondContact OD1-CB 3.41Å; N291-T294 WeakPolarHBondContact OD1-CG2 3.37Å; N291-T294 PolarHBondContact OD1-N 3.46Å; N291-T294 PolarHBondContact OD1-OG1 2.92Å; Q292-T294 PolarHBondContact O-N 2.74Å; T294-T297 WeakPolarHBondContact CA-OG1 3.44Å; T294-T297 PolarHBondContact O-OG1 3.48Å; T294-H298 VanDerWaalsContact O-CB 3.24Å; T294-H298 WeakPolarHBondContact O-CB 3.4Å; T294-H298 PolarHBondContact O-N 2.82Å; T294-H298 VanDerWaalsContact O-N 3.15Å
295	Y	75.6	Confident	73.9	Confident	45 Å²	45	79.1 Å²	79.1	18%	0.176	42%	0.42	C	S	.	.	H	α-helix	trans	-70.1	-45.2	173.7	166.9	-86.3	0	0	0	111.9	I277 K278 P280 F288 N291 Q292 D293 H298 L299	I277-Y295 HydrophobicContact CG2-CD2 3.49Å; I277-Y295 VanDerWaalsContact CG2-CD2 3.49Å; I277-Y295 HydrophobicContact CG2-CE2 3.79Å; I277-Y295 HydrophobicContact CG2-CG 3.96Å; K278-Y295 WeakPolarHBondContact O-CE2 3.5Å; P280-Y295 HydrophobicContact CG-CE2 4.34Å; P280-Y295 VanDerWaalsContact CG-OH 3.23Å; P280-Y295 WeakPolarHBondContact CG-OH 3.37Å; F288-Y295 HydrophobicContact CE1-CD2 4.31Å; N291-Y295 WeakPolarHBondContact O-CB 3.26Å; N291-Y295 PolarHBondContact O-N 2.65Å; Q292-Y295 WeakPolarHBondContact O-CB 3.44Å; Q292-Y295 PolarHBondContact O-N 2.99Å; Q292-Y295 VanDerWaalsContact O-N 3.16Å; D293-Y295 VanDerWaalsContact C-N 3.35Å; Y295-H298 WeakPolarHBondContact O-CB 3.44Å; Y295-H298 PolarHBondContact O-N 3.4Å; Y295-L299 HydrophobicContact CD1-CD1 4.3Å; Y295-L299 HydrophobicContact CE1-CD1 3.7Å; Y295-L299 HydrophobicContact CE1-CG 4.46Å; Y295-L299 PolarHBondContact O-N 2.94Å
296	E	75	Confident	73.7	Confident	108 Å²	108	80.2 Å²	80.2	51%	0.505	43%	0.432	S	S	.	.	H	α-helix	trans	-64	-47.6	179.9	-71.5	179.2	-166.7	0	0	111.4	Q292 H298 L299	Q292-E296 PolarHBondContact NE2-OE1 2.89Å; Q292-E296 PolarHBondContact O-N 2.86Å; E296-H298 VanDerWaalsContact C-N 3.25Å; E296-H298 PolarHBondContact O-N 3.2Å; E296-L299 PolarHBondContact O-N 3.47Å
297	T	77.9	Confident	73.3	Confident	91 Å²	91	84 Å²	84	56%	0.558	45%	0.45	S	S	*	.	H	α-helix	trans	-65.8	-24.1	175.4	49.9	0	0	0	0	113.8	D293 T294	D293-T297 PolarHBondContact O-N 2.86Å; D293-T297 PolarHBondContact O-OG1 2.69Å; T294-T297 WeakPolarHBondContact CA-OG1 3.44Å; T294-T297 PolarHBondContact O-OG1 3.48Å
298	H	79.1	Confident	72.8	Confident	41 Å²	41	81.7 Å²	81.7	19%	0.19	43%	0.429	C	S	.	.	H	α-helix	trans	-71.3	-35.2	173.2	169.7	72.6	0	0	0	112.9	C279 C286 F288 T294 Y295 E296 E300 V301 C302	C279-H298 PolarHBondContact SG-NE2 2.68Å; C279-H298 VanDerWaalsContact SG-NE2 3.36Å; C286-H298 VanDerWaalsContact SG-CE1 3.55Å; C286-H298 PolarHBondContact SG-NE2 2.86Å; F288-H298 HydrophobicContact CD1-CB 4.39Å; F288-H298 AromaticContact CD1-CD2 3.98Å; F288-H298 HydrophobicContact CD2-CB 3.84Å; F288-H298 AromaticContact CD2-CG 3.58Å; F288-H298 AromaticContact CD2-ND1 3.66Å; F288-H298 HydrophobicContact CE1-CB 4.4Å; F288-H298 HydrophobicContact CE2-CB 3.83Å; F288-H298 HydrophobicContact CG-CB 4.14Å; F288-H298 AromaticContact CG-CD2 3.7Å; F288-H298 AromaticContact CG-CG 3.58Å; F288-H298 AromaticContact CG-ND1 3.83Å; F288-H298 HydrophobicContact CZ-CB 4.13Å; T294-H298 VanDerWaalsContact O-CB 3.24Å; T294-H298 WeakPolarHBondContact O-CB 3.4Å; T294-H298 PolarHBondContact O-N 2.82Å; T294-H298 VanDerWaalsContact O-N 3.15Å; Y295-H298 WeakPolarHBondContact O-CB 3.44Å; Y295-H298 PolarHBondContact O-N 3.4Å; E296-H298 VanDerWaalsContact C-N 3.25Å; E296-H298 PolarHBondContact O-N 3.2Å; H298-E300 PolarHBondContact O-N 2.69Å; H298-V301 PolarHBondContact O-N 3.35Å; H298-C302 PolarHBondContact NE2-SG 2.99Å; H298-C302 VanDerWaalsContact NE2-SG 3.42Å; H298-C302 PolarHBondContact O-N 2.94Å
299	L	72.6	Confident	72.2	Confident	52 Å²	52	87.8 Å²	87.8	27%	0.272	46%	0.458	S	S	.	.	H	α-helix	trans	-62.9	-42.9	-175.7	-72.1	173.3	0	0	0	112.3	P280 Y295 E296 V301 C302	P280-L299 HydrophobicContact CG-CD2 4.38Å; Y295-L299 HydrophobicContact CD1-CD1 4.3Å; Y295-L299 HydrophobicContact CE1-CD1 3.7Å; Y295-L299 HydrophobicContact CE1-CG 4.46Å; Y295-L299 PolarHBondContact O-N 2.94Å; E296-L299 PolarHBondContact O-N 3.47Å; L299-V301 PolarHBondContact O-N 3.02Å; L299-V301 VanDerWaalsContact O-N 3.1Å; L299-C302 WeakPolarHBondContact O-CB 3.44Å; L299-C302 PolarHBondContact O-N 3.22Å; L299-C302 VanDerWaalsContact O-N 3.13Å
300	E	74.4	Confident	71.9	Confident	177 Å²	177	90 Å²	90	83%	0.827	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.1	-178.4	-60.2	-168.6	146.6	0	0	113.9	H298	H298-E300 PolarHBondContact O-N 2.69Å
301	V	74.6	Confident	71.5	Confident	119 Å²	119	91.1 Å²	91.1	72%	0.721	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	10.5	-176	-149.9	0	0	0	0	111.9	H298 L299 K303	H298-V301 PolarHBondContact O-N 3.35Å; L299-V301 PolarHBondContact O-N 3.02Å; L299-V301 VanDerWaalsContact O-N 3.1Å; V301-K303 PolarHBondContact O-N 3.32Å
302	C	71.8	Confident	71.2	Confident	9 Å²	9	92.3 Å²	92.3	6%	0.061	47%	0.471	C	S	.	.			trans	-73.3	115.6	-173.5	-162	0	0	0	0	111.5	H298 L299 F304 E305	H298-C302 PolarHBondContact NE2-SG 2.99Å; H298-C302 VanDerWaalsContact NE2-SG 3.42Å; H298-C302 PolarHBondContact O-N 2.94Å; L299-C302 WeakPolarHBondContact O-CB 3.44Å; L299-C302 PolarHBondContact O-N 3.22Å; L299-C302 VanDerWaalsContact O-N 3.13Å; C302-F304 PolarHBondContact O-N 3.17Å; C302-E305 VanDerWaalsContact O-CB 3.23Å; C302-E305 WeakPolarHBondContact O-CB 3.4Å; C302-E305 PolarHBondContact O-N 3.03Å
303	K	66.8	Low	71.3	Confident	192 Å²	192	95.1 Å²	95.1	84%	0.835	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-17.1	-178.5	-67.6	-176.6	177.7	179.7	0	115.1	V301	V301-K303 PolarHBondContact O-N 3.32Å
304	F	65	Low	71.5	Confident	63 Å²	63	92.7 Å²	92.7	28%	0.276	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-13.1	178.3	-62.9	-82.1	0	0	0	113.5	H281 Y284 C286 C302 G306 L307	H281-F304 HydrophobicContact CB-CB 3.79Å; H281-F304 HydrophobicContact CB-CD2 4.38Å; H281-F304 HydrophobicContact CB-CG 4.24Å; Y284-F304 WeakPolarHBondContact O-CE1 3.27Å; C286-F304 HydrophobicContact CB-CD2 4.01Å; C286-F304 HydrophobicContact CB-CE2 4Å; C302-F304 PolarHBondContact O-N 3.17Å; F304-G306 PolarHBondContact O-N 3.06Å; F304-L307 PolarHBondContact O-N 3.09Å
305	E	66.8	Low	71.6	Confident	79 Å²	79	92.5 Å²	92.5	37%	0.369	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-61.3	-32.7	174.8	-174.5	68.7	-172.5	0	0	111.2	H281 C302 L307 K308	H281-E305 IonicContact NE2-OE2 2.62Å; C302-E305 VanDerWaalsContact O-CB 3.23Å; C302-E305 WeakPolarHBondContact O-CB 3.4Å; C302-E305 PolarHBondContact O-N 3.03Å; E305-L307 VanDerWaalsContact C-N 3.28Å; E305-L307 PolarHBondContact O-N 2.96Å; E305-K308 VanDerWaalsContact CD-CD 3.44Å; E305-K308 WeakPolarHBondContact O-CB 3.48Å; E305-K308 PolarHBondContact O-N 3.33Å; E305-K308 VanDerWaalsContact O-N 3.1Å; E305-K308 VanDerWaalsContact OE1-CD 3.3Å; E305-K308 WeakPolarHBondContact OE1-CD 3.35Å; E305-K308 IonicContact OE1-NZ 3.29Å; E305-K308 PolarHBondContact OE1-NZ 2.93Å; E305-K308 WeakPolarHBondContact OE2-CD 3.4Å; E305-K308 IonicContact OE2-NZ 3.82Å; E305-K308 PolarHBondContact OE2-NZ 3.1Å
306	G	64.4	Low	71.9	Confident	75 Å²	75	94.1 Å²	94.1	77%	0.773	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-70.4	-16.1	174.3	0	0	0	0	0	115.2	F304	F304-G306 PolarHBondContact O-N 3.06Å
307	L	65.6	Low	72.3	Confident	94 Å²	94	98.1 Å²	98.1	49%	0.492	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-91.4	-4.4	171.1	-104.5	79.2	0	0	0	112.5	F304 E305 E309 F310 L311	F304-L307 PolarHBondContact O-N 3.09Å; E305-L307 VanDerWaalsContact C-N 3.28Å; E305-L307 PolarHBondContact O-N 2.96Å; L307-E309 PolarHBondContact O-N 2.84Å; L307-F310 PolarHBondContact O-N 3.27Å; L307-L311 HydrophobicContact CB-CD1 3.93Å; L307-L311 HydrophobicContact CB-CG 4.23Å; L307-L311 HydrophobicContact CD2-CD1 4.14Å; L307-L311 HydrophobicContact CD2-CG 4.36Å; L307-L311 WeakPolarHBondContact O-CB 3.17Å; L307-L311 PolarHBondContact O-N 3.18Å
308	K	65.3	Low	72.6	Confident	90 Å²	90	99.3 Å²	99.3	39%	0.391	49%	0.49	S	S	.	.	H	α-helix	trans	-56.7	-49.1	-170.1	-176.4	167.2	-179.6	168.9	0	112.8	E305 F310 L311 Q312	E305-K308 VanDerWaalsContact CD-CD 3.44Å; E305-K308 WeakPolarHBondContact O-CB 3.48Å; E305-K308 PolarHBondContact O-N 3.33Å; E305-K308 VanDerWaalsContact O-N 3.1Å; E305-K308 VanDerWaalsContact OE1-CD 3.3Å; E305-K308 WeakPolarHBondContact OE1-CD 3.35Å; E305-K308 IonicContact OE1-NZ 3.29Å; E305-K308 PolarHBondContact OE1-NZ 2.93Å; E305-K308 WeakPolarHBondContact OE2-CD 3.4Å; E305-K308 IonicContact OE2-NZ 3.82Å; E305-K308 PolarHBondContact OE2-NZ 3.1Å; K308-F310 VanDerWaalsContact C-N 3.34Å; K308-F310 PolarHBondContact O-N 3.43Å; K308-L311 PolarHBondContact O-N 3.38Å; K308-Q312 WeakPolarHBondContact O-CA 3.41Å; K308-Q312 WeakPolarHBondContact O-CB 3.4Å; K308-Q312 PolarHBondContact O-N 2.89Å
309	E	65.6	Low	72.9	Confident	169 Å²	169	102.3 Å²	102.3	79%	0.79	50%	0.504	S	S	*	.	H	α-helix	trans	-62.9	-38.8	-177.7	-63.7	-173.2	162.3	0	0	113.1	L307 Q313	L307-E309 PolarHBondContact O-N 2.84Å; E309-Q313 WeakPolarHBondContact O-CB 3.4Å; E309-Q313 WeakPolarHBondContact O-CG 3.27Å; E309-Q313 PolarHBondContact O-N 2.89Å
310	F	71.5	Confident	73.6	Confident	142 Å²	142	106.4 Å²	106.4	62%	0.623	52%	0.521	S	S	*	.	H	α-helix	trans	-73.9	-44.1	178.7	-180	-96.9	0	0	0	112.1	L307 K308 Q312 T314	L307-F310 PolarHBondContact O-N 3.27Å; K308-F310 VanDerWaalsContact C-N 3.34Å; K308-F310 PolarHBondContact O-N 3.43Å; F310-Q312 VanDerWaalsContact C-N 3.33Å; F310-T314 WeakPolarHBondContact O-CB 3.45Å; F310-T314 PolarHBondContact O-N 3.08Å; F310-T314 PolarHBondContact O-OG1 2.94Å
311	L	68.8	Low	74.3	Confident	35 Å²	35	102.7 Å²	102.7	18%	0.183	51%	0.505	C	S	.	.	H	α-helix	trans	-67.6	-34.8	175.3	-69.3	178.4	0	0	0	111.4	Y284 L307 K308 T314 D315	Y284-L311 HydrophobicContact CD1-CD1 4.13Å; Y284-L311 HydrophobicContact CD2-CD1 4.2Å; Y284-L311 HydrophobicContact CE1-CD1 4.09Å; Y284-L311 HydrophobicContact CE2-CD1 4.18Å; Y284-L311 HydrophobicContact CG-CD1 4.18Å; L307-L311 HydrophobicContact CB-CD1 3.93Å; L307-L311 HydrophobicContact CB-CG 4.23Å; L307-L311 HydrophobicContact CD2-CD1 4.14Å; L307-L311 HydrophobicContact CD2-CG 4.36Å; L307-L311 WeakPolarHBondContact O-CB 3.17Å; L307-L311 PolarHBondContact O-N 3.18Å; K308-L311 PolarHBondContact O-N 3.38Å; L311-T314 PolarHBondContact O-N 2.9Å; L311-D315 VanDerWaalsContact O-CB 3.29Å; L311-D315 WeakPolarHBondContact O-CB 3.38Å; L311-D315 PolarHBondContact O-N 2.8Å
312	Q	72.3	Confident	74.9	Confident	93 Å²	93	102.1 Å²	102.1	44%	0.435	50%	0.495	S	S	.	.	H	α-helix	trans	-68.6	-46.9	174.8	-168.3	70.4	53.1	0	0	110.4	K308 F310 T314 D315 D316	K308-Q312 WeakPolarHBondContact O-CA 3.41Å; K308-Q312 WeakPolarHBondContact O-CB 3.4Å; K308-Q312 PolarHBondContact O-N 2.89Å; F310-Q312 VanDerWaalsContact C-N 3.33Å; Q312-T314 PolarHBondContact O-N 3.26Å; Q312-D315 PolarHBondContact O-N 2.88Å; Q312-D316 PolarHBondContact NE2-OD1 3.48Å; Q312-D316 WeakPolarHBondContact O-CA 3.45Å; Q312-D316 WeakPolarHBondContact O-CB 3.25Å; Q312-D316 PolarHBondContact O-N 3.31Å
313	Q	75.8	Confident	75.8	Confident	142 Å²	142	106.5 Å²	106.5	66%	0.664	52%	0.517	S	S	*	.	H	α-helix	trans	-59.2	-32.3	172	-80.7	-169.6	-3.2	0	0	112.9	E309 R317	E309-Q313 WeakPolarHBondContact O-CB 3.4Å; E309-Q313 WeakPolarHBondContact O-CG 3.27Å; E309-Q313 PolarHBondContact O-N 2.89Å; Q313-R317 WeakPolarHBondContact O-CB 3.21Å; Q313-R317 PolarHBondContact O-N 2.96Å; Q313-R317 VanDerWaalsContact O-N 3.09Å
314	T	77.1	Confident	76.9	Confident	67 Å²	67	100 Å²	100	41%	0.411	50%	0.499	S	S	.	.	H	α-helix	trans	-75.7	-45.6	177.8	-53.2	0	0	0	0	111.6	F310 L311 Q312 F318	F310-T314 WeakPolarHBondContact O-CB 3.45Å; F310-T314 PolarHBondContact O-N 3.08Å; F310-T314 PolarHBondContact O-OG1 2.94Å; L311-T314 PolarHBondContact O-N 2.9Å; Q312-T314 PolarHBondContact O-N 3.26Å; T314-F318 VanDerWaalsContact O-CB 3.24Å; T314-F318 WeakPolarHBondContact O-CB 3.17Å; T314-F318 PolarHBondContact O-N 3.24Å
315	D	78.4	Confident	78.2	Confident	60 Å²	60	101.6 Å²	101.6	32%	0.321	51%	0.51	S	S	.	.	H	α-helix	trans	-67.7	-37.2	176.2	-81.5	10	0	0	0	111	K283 Y284 L311 Q312 F318 H319	K283-D315 IonicContact NZ-OD2 2.8Å; K283-D315 PolarHBondContact NZ-OD2 2.78Å; Y284-D315 PolarHBondContact OH-OD2 2.78Å; L311-D315 VanDerWaalsContact O-CB 3.29Å; L311-D315 WeakPolarHBondContact O-CB 3.38Å; L311-D315 PolarHBondContact O-N 2.8Å; Q312-D315 PolarHBondContact O-N 2.88Å; D315-F318 CarbonylContact O-C 3.49Å; D315-F318 PolarHBondContact O-N 2.91Å; D315-H319 WeakPolarHBondContact O-CB 3.34Å; D315-H319 PolarHBondContact O-N 2.81Å
316	D	81.7	Confident	79.2	Confident	79 Å²	79	100.5 Å²	100.5	42%	0.422	51%	0.511	S	S	.	.	H	α-helix	trans	-65.1	-46.4	174.9	-72.6	-15.3	0	0	0	110.7	Q312 F318 H319 E320	Q312-D316 PolarHBondContact NE2-OD1 3.48Å; Q312-D316 WeakPolarHBondContact O-CA 3.45Å; Q312-D316 WeakPolarHBondContact O-CB 3.25Å; Q312-D316 PolarHBondContact O-N 3.31Å; D316-F318 VanDerWaalsContact C-N 3.33Å; D316-H319 CarbonylContact O-C 3.6Å; D316-H319 WeakPolarHBondContact O-CB 3.37Å; D316-H319 PolarHBondContact O-N 3.44Å; D316-E320 WeakPolarHBondContact O-CB 3.47Å; D316-E320 PolarHBondContact O-N 3.49Å
317	R	83.8	Confident	80.5	Confident	191 Å²	191	101.5 Å²	101.5	72%	0.721	50%	0.496	S	S	*	.	H	α-helix	trans	-69.2	-33.4	176.5	-169.2	178.5	-171.8	-173.1	3.2	111.8	Q313 M321	Q313-R317 WeakPolarHBondContact O-CB 3.21Å; Q313-R317 PolarHBondContact O-N 2.96Å; Q313-R317 VanDerWaalsContact O-N 3.09Å; R317-M321 VanDerWaalsContact O-CB 3.28Å; R317-M321 WeakPolarHBondContact O-CB 3.39Å; R317-M321 PolarHBondContact O-N 2.86Å
318	F	82.4	Confident	81.7	Confident	117 Å²	117	102.7 Å²	102.7	51%	0.513	50%	0.497	S	S	.	.	H	α-helix	trans	-67.5	-38.2	170.6	-169.8	-88.1	0	0	0	110.9	T314 D315 D316 M321 Q322	T314-F318 VanDerWaalsContact O-CB 3.24Å; T314-F318 WeakPolarHBondContact O-CB 3.17Å; T314-F318 PolarHBondContact O-N 3.24Å; D315-F318 CarbonylContact O-C 3.49Å; D315-F318 PolarHBondContact O-N 2.91Å; D316-F318 VanDerWaalsContact C-N 3.33Å; F318-M321 HydrophobicContact CD2-CE 3.71Å; F318-M321 HydrophobicContact CE2-CE 3.9Å; F318-M321 HydrophobicContact CG-CE 4.46Å; F318-M321 CarbonylContact O-C 3.53Å; F318-M321 PolarHBondContact O-N 2.92Å; F318-Q322 WeakPolarHBondContact O-CB 3.49Å; F318-Q322 PolarHBondContact O-N 2.8Å
319	H	86	Confident	82.9	Confident	104 Å²	104	103 Å²	103	48%	0.481	50%	0.503	S	S	.	.	H	α-helix	trans	-69.7	-41.6	176.8	-173	66.9	0	0	0	112.1	D315 D316 Q322 L323	D315-H319 WeakPolarHBondContact O-CB 3.34Å; D315-H319 PolarHBondContact O-N 2.81Å; D316-H319 CarbonylContact O-C 3.6Å; D316-H319 WeakPolarHBondContact O-CB 3.37Å; D316-H319 PolarHBondContact O-N 3.44Å; H319-Q322 CarbonylContact O-C 3.56Å; H319-Q322 PolarHBondContact O-N 2.9Å; H319-L323 WeakPolarHBondContact O-CB 3.25Å; H319-L323 VanDerWaalsContact O-CG 3.3Å; H319-L323 WeakPolarHBondContact O-CG 3.46Å; H319-L323 PolarHBondContact O-N 3.47Å
320	E	87.5	Confident	84.2	Confident	137 Å²	137	100.2 Å²	100.2	64%	0.64	49%	0.49	S	S	*	.	H	α-helix	trans	-60.4	-45.1	171	-175.2	-177.6	-145.4	0	0	110.7	D316 Q322 L323 A324	D316-E320 WeakPolarHBondContact O-CB 3.47Å; D316-E320 PolarHBondContact O-N 3.49Å; E320-Q322 VanDerWaalsContact C-N 3.33Å; E320-Q322 PolarHBondContact O-N 2.86Å; E320-L323 PolarHBondContact O-N 2.94Å; E320-A324 VanDerWaalsContact O-CB 3.32Å; E320-A324 WeakPolarHBondContact O-CB 3.38Å; E320-A324 PolarHBondContact O-N 2.87Å
321	M	88.9	Confident	85.2	Confident	100 Å²	100	95.9 Å²	95.9	49%	0.493	47%	0.473	S	S	.	.	H	α-helix	trans	-63.9	-35.8	173.4	-175.1	177.2	66.7	0	0	112.4	R317 F318 A324 L325	R317-M321 VanDerWaalsContact O-CB 3.28Å; R317-M321 WeakPolarHBondContact O-CB 3.39Å; R317-M321 PolarHBondContact O-N 2.86Å; F318-M321 HydrophobicContact CD2-CE 3.71Å; F318-M321 HydrophobicContact CE2-CE 3.9Å; F318-M321 HydrophobicContact CG-CE 4.46Å; F318-M321 CarbonylContact O-C 3.53Å; F318-M321 PolarHBondContact O-N 2.92Å; M321-A324 PolarHBondContact O-N 2.9Å; M321-L325 HydrophobicContact CG-CD1 4.26Å; M321-L325 WeakPolarHBondContact O-CB 3.44Å; M321-L325 VanDerWaalsContact O-CG 3.31Å; M321-L325 WeakPolarHBondContact O-CG 3.27Å; M321-L325 PolarHBondContact O-N 2.87Å
322	Q	86.9	Confident	86.3	Confident	107 Å²	107	97.4 Å²	97.4	50%	0.5	48%	0.481	S	S	.	.	H	α-helix	trans	-74.9	-34.7	178.7	-170.8	175	10.9	0	0	112.2	F318 H319 E320 S326	F318-Q322 WeakPolarHBondContact O-CB 3.49Å; F318-Q322 PolarHBondContact O-N 2.8Å; H319-Q322 CarbonylContact O-C 3.56Å; H319-Q322 PolarHBondContact O-N 2.9Å; E320-Q322 VanDerWaalsContact C-N 3.33Å; E320-Q322 PolarHBondContact O-N 2.86Å; Q322-S326 WeakPolarHBondContact O-CB 3.48Å; Q322-S326 PolarHBondContact O-N 2.84Å
323	L	90.4	Very high	87.1	Confident	100 Å²	100	95.7 Å²	95.7	52%	0.524	48%	0.482	S	S	.	.	H	α-helix	trans	-66.2	-44.3	168.9	-75.5	169.2	0	0	0	110.5	H319 E320 S326 Q327	H319-L323 WeakPolarHBondContact O-CB 3.25Å; H319-L323 VanDerWaalsContact O-CG 3.3Å; H319-L323 WeakPolarHBondContact O-CG 3.46Å; H319-L323 PolarHBondContact O-N 3.47Å; E320-L323 PolarHBondContact O-N 2.94Å; L323-S326 PolarHBondContact O-N 2.94Å; L323-Q327 WeakPolarHBondContact O-CB 3.43Å; L323-Q327 PolarHBondContact O-N 3.01Å
324	A	90.8	Very high	87.9	Confident	55 Å²	55	95.3 Å²	95.3	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-63.2	-40.9	174.9	0	0	0	0	0	111.9	E320 M321 Q327 K328	E320-A324 VanDerWaalsContact O-CB 3.32Å; E320-A324 WeakPolarHBondContact O-CB 3.38Å; E320-A324 PolarHBondContact O-N 2.87Å; M321-A324 PolarHBondContact O-N 2.9Å; A324-Q327 PolarHBondContact O-N 3.03Å; A324-K328 VanDerWaalsContact O-CG 3.27Å; A324-K328 WeakPolarHBondContact O-CG 3.4Å; A324-K328 PolarHBondContact O-N 2.79Å
325	L	91.8	Very high	88.7	Confident	98 Å²	98	97 Å²	97	51%	0.513	49%	0.485	S	S	.	.	H	α-helix	trans	-61.7	-47.5	171.3	-81.9	163.1	0	0	0	111.4	M321 Q327 K328 D329	M321-L325 HydrophobicContact CG-CD1 4.26Å; M321-L325 WeakPolarHBondContact O-CB 3.44Å; M321-L325 VanDerWaalsContact O-CG 3.31Å; M321-L325 WeakPolarHBondContact O-CG 3.27Å; M321-L325 PolarHBondContact O-N 2.87Å; L325-Q327 VanDerWaalsContact C-N 3.33Å; L325-Q327 PolarHBondContact O-N 3.4Å; L325-K328 CarbonylContact O-C 3.42Å; L325-K328 WeakPolarHBondContact O-CA 3.47Å; L325-K328 PolarHBondContact O-N 2.76Å; L325-D329 PolarHBondContact O-N 2.81Å
326	S	87.8	Confident	89.3	Confident	56 Å²	56	102.7 Å²	102.7	39%	0.392	50%	0.502	S	S	.	.	H	α-helix	trans	-61.7	-39.2	177.8	-173.2	0	0	0	0	112.5	Q322 L323 D329 Q330	Q322-S326 WeakPolarHBondContact O-CB 3.48Å; Q322-S326 PolarHBondContact O-N 2.84Å; L323-S326 PolarHBondContact O-N 2.94Å; S326-D329 PolarHBondContact O-N 3.46Å; S326-Q330 WeakPolarHBondContact O-CG 3.22Å; S326-Q330 PolarHBondContact O-N 2.92Å
327	Q	91.4	Very high	89.7	Confident	95 Å²	95	101.6 Å²	101.6	44%	0.444	50%	0.501	S	S	.	.	H	α-helix	trans	-64.1	-40.2	171.8	-176.6	59.4	59.1	0	0	111.3	L323 A324 L325 Q330 D331	L323-Q327 WeakPolarHBondContact O-CB 3.43Å; L323-Q327 PolarHBondContact O-N 3.01Å; A324-Q327 PolarHBondContact O-N 3.03Å; L325-Q327 VanDerWaalsContact C-N 3.33Å; L325-Q327 PolarHBondContact O-N 3.4Å; Q327-Q330 WeakPolarHBondContact O-CB 3.49Å; Q327-Q330 PolarHBondContact O-N 2.98Å; Q327-D331 PolarHBondContact NE2-OD1 3.29Å; Q327-D331 PolarHBondContact O-N 3.11Å; Q327-D331 VanDerWaalsContact O-OD1 3.14Å
328	K	91.4	Very high	90	Very high	119 Å²	119	96.5 Å²	96.5	52%	0.517	49%	0.486	S	S	.	.	H	α-helix	trans	-68.4	-34.4	175.5	-69.6	-69.9	151.9	-141.1	0	112.7	A324 L325 D331 I332	A324-K328 VanDerWaalsContact O-CG 3.27Å; A324-K328 WeakPolarHBondContact O-CG 3.4Å; A324-K328 PolarHBondContact O-N 2.79Å; L325-K328 CarbonylContact O-C 3.42Å; L325-K328 WeakPolarHBondContact O-CA 3.47Å; L325-K328 PolarHBondContact O-N 2.76Å; K328-D331 IonicContact NZ-OD2 2.93Å; K328-D331 PolarHBondContact NZ-OD2 2.77Å; K328-D331 PolarHBondContact O-N 3.29Å; K328-I332 VanDerWaalsContact O-CB 3.3Å; K328-I332 WeakPolarHBondContact O-CB 3.41Å; K328-I332 WeakPolarHBondContact O-CD1 3.46Å; K328-I332 WeakPolarHBondContact O-CG1 3.37Å; K328-I332 PolarHBondContact O-N 3.27Å
329	D	90	Very high	90.5	Very high	98 Å²	98	96.6 Å²	96.6	52%	0.524	49%	0.491	S	S	.	.	H	α-helix	trans	-67	-36.4	172.1	-77.1	-37.8	0	0	0	111.7	L325 S326 I332 A333	L325-D329 PolarHBondContact O-N 2.81Å; S326-D329 PolarHBondContact O-N 3.46Å; D329-I332 PolarHBondContact O-N 3.28Å; D329-A333 VanDerWaalsContact O-CB 3.3Å; D329-A333 WeakPolarHBondContact O-CB 3.31Å; D329-A333 PolarHBondContact O-N 2.97Å
330	Q	92.9	Very high	90.8	Very high	110 Å²	110	93.2 Å²	93.2	51%	0.514	48%	0.484	S	S	.	.	H	α-helix	trans	-65.4	-45.9	170.5	-71.3	173.7	53.6	0	0	111.9	S326 Q327 I332 A333 F334	S326-Q330 WeakPolarHBondContact O-CG 3.22Å; S326-Q330 PolarHBondContact O-N 2.92Å; Q327-Q330 WeakPolarHBondContact O-CB 3.49Å; Q327-Q330 PolarHBondContact O-N 2.98Å; Q330-I332 VanDerWaalsContact C-N 3.3Å; Q330-I332 PolarHBondContact O-N 3.45Å; Q330-A333 PolarHBondContact O-N 3.44Å; Q330-F334 WeakPolarHBondContact O-CB 3.33Å; Q330-F334 PolarHBondContact O-N 3.46Å
331	D	92.2	Very high	90.9	Very high	51 Å²	51	92.4 Å²	92.4	27%	0.273	48%	0.478	S	S	.	.	H	α-helix	trans	-58	-44.1	174.3	-62.7	-11.3	0	0	0	110.7	Q327 K328 F334 L335	Q327-D331 PolarHBondContact NE2-OD1 3.29Å; Q327-D331 PolarHBondContact O-N 3.11Å; Q327-D331 VanDerWaalsContact O-OD1 3.14Å; K328-D331 IonicContact NZ-OD2 2.93Å; K328-D331 PolarHBondContact NZ-OD2 2.77Å; K328-D331 PolarHBondContact O-N 3.29Å; D331-F334 PolarHBondContact O-N 3.48Å; D331-L335 WeakPolarHBondContact O-CB 3.41Å; D331-L335 VanDerWaalsContact O-CG 3.26Å; D331-L335 WeakPolarHBondContact O-CG 3.35Å; D331-L335 PolarHBondContact O-N 2.84Å
332	I	93.5	Very high	91	Very high	67 Å²	67	92.2 Å²	92.2	34%	0.344	48%	0.479	S	S	.	.	H	α-helix	trans	-65.8	-41.1	177.4	-73.3	164.1	0	0	0	111.1	K328 D329 Q330 L335 R336	K328-I332 VanDerWaalsContact O-CB 3.3Å; K328-I332 WeakPolarHBondContact O-CB 3.41Å; K328-I332 WeakPolarHBondContact O-CD1 3.46Å; K328-I332 WeakPolarHBondContact O-CG1 3.37Å; K328-I332 PolarHBondContact O-N 3.27Å; D329-I332 PolarHBondContact O-N 3.28Å; Q330-I332 VanDerWaalsContact C-N 3.3Å; Q330-I332 PolarHBondContact O-N 3.45Å; I332-L335 PolarHBondContact O-N 3.21Å; I332-R336 HydrophobicContact CG2-CG 4.47Å; I332-R336 WeakPolarHBondContact O-CB 3.21Å; I332-R336 VanDerWaalsContact O-CG 3.23Å; I332-R336 WeakPolarHBondContact O-CG 3.22Å; I332-R336 PolarHBondContact O-N 2.88Å
333	A	89.1	Confident	91.2	Very high	56 Å²	56	89.8 Å²	89.8	46%	0.463	47%	0.474	S	S	.	.	H	α-helix	trans	-65	-41	175.7	0	0	0	0	0	111.8	D329 Q330 R336 S337	D329-A333 VanDerWaalsContact O-CB 3.3Å; D329-A333 WeakPolarHBondContact O-CB 3.31Å; D329-A333 PolarHBondContact O-N 2.97Å; Q330-A333 PolarHBondContact O-N 3.44Å; A333-R336 PolarHBondContact O-N 2.61Å; A333-S337 PolarHBondContact O-N 2.97Å
334	F	92.2	Very high	91.3	Very high	134 Å²	134	91.2 Å²	91.2	59%	0.588	48%	0.478	S	S	*	.	H	α-helix	trans	-63.5	-46.3	174.1	177.2	-104.1	0	0	0	111.8	Q330 D331 R336 S337 M338	Q330-F334 WeakPolarHBondContact O-CB 3.33Å; Q330-F334 PolarHBondContact O-N 3.46Å; D331-F334 PolarHBondContact O-N 3.48Å; F334-R336 PolarHBondContact O-N 3.18Å; F334-S337 WeakPolarHBondContact O-CB 3.31Å; F334-S337 PolarHBondContact O-N 2.91Å; F334-S337 VanDerWaalsContact O-N 3.15Å; F334-M338 HydrophobicContact CD1-SD 4.07Å; F334-M338 HydrophobicContact CE1-CG 4.24Å; F334-M338 HydrophobicContact CE1-SD 3.33Å; F334-M338 WeakPolarHBondContact CE1-SD 3.49Å; F334-M338 HydrophobicContact CZ-CG 4.2Å; F334-M338 HydrophobicContact CZ-SD 3.61Å; F334-M338 PolarHBondContact O-N 2.86Å
335	L	93.6	Very high	91.3	Very high	103 Å²	103	95.3 Å²	95.3	54%	0.539	49%	0.485	S	S	.	.	H	α-helix	trans	-63.8	-37.8	176	-72.3	171.3	0	0	0	112.4	D331 I332 M338 L339	D331-L335 WeakPolarHBondContact O-CB 3.41Å; D331-L335 VanDerWaalsContact O-CG 3.26Å; D331-L335 WeakPolarHBondContact O-CG 3.35Å; D331-L335 PolarHBondContact O-N 2.84Å; I332-L335 PolarHBondContact O-N 3.21Å; L335-M338 PolarHBondContact O-N 2.94Å; L335-L339 WeakPolarHBondContact O-CB 3.37Å; L335-L339 PolarHBondContact O-N 2.83Å
336	R	90.8	Very high	91.4	Very high	179 Å²	179	96 Å²	96	68%	0.675	49%	0.489	S	S	*	.	H	α-helix	trans	-62.8	-40.8	171.1	-75.5	168.9	177.8	161.5	1.6	111.8	I332 A333 F334 L339 G340	I332-R336 HydrophobicContact CG2-CG 4.47Å; I332-R336 WeakPolarHBondContact O-CB 3.21Å; I332-R336 VanDerWaalsContact O-CG 3.23Å; I332-R336 WeakPolarHBondContact O-CG 3.22Å; I332-R336 PolarHBondContact O-N 2.88Å; A333-R336 PolarHBondContact O-N 2.61Å; F334-R336 PolarHBondContact O-N 3.18Å; R336-L339 PolarHBondContact O-N 2.96Å; R336-G340 PolarHBondContact O-N 2.88Å
337	S	89.7	Confident	91.6	Very high	57 Å²	57	96.4 Å²	96.4	40%	0.399	49%	0.487	S	S	.	.	H	α-helix	trans	-65.9	-40.4	174.7	-172.7	0	0	0	0	112.4	A333 F334 G340 K341	A333-S337 PolarHBondContact O-N 2.97Å; F334-S337 WeakPolarHBondContact O-CB 3.31Å; F334-S337 PolarHBondContact O-N 2.91Å; F334-S337 VanDerWaalsContact O-N 3.15Å; S337-G340 PolarHBondContact O-N 2.85Å; S337-K341 WeakPolarHBondContact O-CG 3.45Å; S337-K341 PolarHBondContact O-N 2.83Å; S337-K341 VanDerWaalsContact O-N 3.07Å
338	M	91.2	Very high	91.5	Very high	84 Å²	84	97.7 Å²	97.7	41%	0.414	49%	0.493	S	S	.	.	H	α-helix	trans	-62.9	-43.5	172	-84.4	-178.7	48.7	0	0	112.1	F334 L335 K341 L342	F334-M338 HydrophobicContact CD1-SD 4.07Å; F334-M338 HydrophobicContact CE1-CG 4.24Å; F334-M338 HydrophobicContact CE1-SD 3.33Å; F334-M338 WeakPolarHBondContact CE1-SD 3.49Å; F334-M338 HydrophobicContact CZ-CG 4.2Å; F334-M338 HydrophobicContact CZ-SD 3.61Å; F334-M338 PolarHBondContact O-N 2.86Å; L335-M338 PolarHBondContact O-N 2.94Å; M338-K341 PolarHBondContact O-N 2.82Å; M338-L342 WeakPolarHBondContact O-CB 3.25Å; M338-L342 WeakPolarHBondContact O-CG 3.46Å; M338-L342 PolarHBondContact O-N 2.78Å
339	L	93.4	Very high	91.5	Very high	119 Å²	119	97 Å²	97	62%	0.623	49%	0.494	S	S	*	.	H	α-helix	trans	-62.4	-42.2	177.7	-175.2	63.1	0	0	0	111.4	L335 R336 L342 S343	L335-L339 WeakPolarHBondContact O-CB 3.37Å; L335-L339 PolarHBondContact O-N 2.83Å; R336-L339 PolarHBondContact O-N 2.96Å; L339-L342 PolarHBondContact O-N 3.21Å; L339-S343 PolarHBondContact O-N 2.82Å
340	G	91.3	Very high	91.7	Very high	32 Å²	32	98.1 Å²	98.1	33%	0.33	50%	0.496	S	S	.	.	H	α-helix	trans	-57.2	-50.9	172.1	0	0	0	0	0	112.4	R336 S337 L342 S343 E344	R336-G340 PolarHBondContact O-N 2.88Å; S337-G340 PolarHBondContact O-N 2.85Å; G340-L342 PolarHBondContact O-N 3.11Å; G340-S343 WeakPolarHBondContact O-CA 3.46Å; G340-S343 WeakPolarHBondContact O-CB 3.23Å; G340-S343 PolarHBondContact O-N 2.9Å; G340-E344 WeakPolarHBondContact O-CG 3.38Å; G340-E344 PolarHBondContact O-N 2.8Å
341	K	89.9	Confident	91.7	Very high	121 Å²	121	97.8 Å²	97.8	53%	0.526	49%	0.493	S	S	.	.	H	α-helix	trans	-64.6	-22	177	-69.7	169.4	-176.4	169.5	0	114.2	S337 M338 K345	S337-K341 WeakPolarHBondContact O-CG 3.45Å; S337-K341 PolarHBondContact O-N 2.83Å; S337-K341 VanDerWaalsContact O-N 3.07Å; M338-K341 PolarHBondContact O-N 2.82Å; K341-K345 VanDerWaalsContact O-CG 3.32Å; K341-K345 WeakPolarHBondContact O-CG 3.41Å
342	L	90.5	Very high	91.7	Very high	95 Å²	95	98.5 Å²	98.5	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-81.7	-38.3	171.5	-73.5	169	0	0	0	111.1	M338 L339 G340 K345 L346	M338-L342 WeakPolarHBondContact O-CB 3.25Å; M338-L342 WeakPolarHBondContact O-CG 3.46Å; M338-L342 PolarHBondContact O-N 2.78Å; L339-L342 PolarHBondContact O-N 3.21Å; G340-L342 PolarHBondContact O-N 3.11Å; L342-K345 PolarHBondContact O-N 2.83Å; L342-L346 WeakPolarHBondContact O-CG 3.47Å; L342-L346 PolarHBondContact O-N 3.01Å
343	S	92.3	Very high	91.6	Very high	57 Å²	57	99.7 Å²	99.7	40%	0.399	50%	0.504	S	S	.	.	H	α-helix	trans	-60.9	-52.3	171.3	-155.7	0	0	0	0	110.8	L339 G340 K345 L346 D347	L339-S343 PolarHBondContact O-N 2.82Å; G340-S343 WeakPolarHBondContact O-CA 3.46Å; G340-S343 WeakPolarHBondContact O-CB 3.23Å; G340-S343 PolarHBondContact O-N 2.9Å; S343-K345 PolarHBondContact O-N 2.72Å; S343-L346 CarbonylContact O-C 3.54Å; S343-L346 WeakPolarHBondContact O-CA 3.25Å; S343-L346 WeakPolarHBondContact O-CB 3.45Å; S343-L346 PolarHBondContact O-N 3.17Å; S343-D347 PolarHBondContact O-N 3.27Å
344	E	92.1	Very high	91.8	Very high	130 Å²	130	102.2 Å²	102.2	61%	0.607	51%	0.506	S	S	*	.	H	α-helix	trans	-51.7	-36.4	176	-70.9	170.5	173	0	0	112.7	G340 Q348	G340-E344 WeakPolarHBondContact O-CG 3.38Å; G340-E344 PolarHBondContact O-N 2.8Å; E344-Q348 WeakPolarHBondContact O-CB 3.44Å; E344-Q348 PolarHBondContact O-N 2.96Å; E344-Q348 VanDerWaalsContact O-N 3.09Å
345	K	90.9	Very high	91.7	Very high	140 Å²	140	101 Å²	101	61%	0.609	51%	0.505	S	S	*	.	H	α-helix	trans	-75.1	-34.8	175.4	-77.1	178	178	-176.3	0	113.4	K341 L342 S343 L349	K341-K345 VanDerWaalsContact O-CG 3.32Å; K341-K345 WeakPolarHBondContact O-CG 3.41Å; L342-K345 PolarHBondContact O-N 2.83Å; S343-K345 PolarHBondContact O-N 2.72Å; K345-L349 WeakPolarHBondContact O-CB 3.21Å; K345-L349 WeakPolarHBondContact O-CD1 3.45Å; K345-L349 VanDerWaalsContact O-CG 3.23Å; K345-L349 WeakPolarHBondContact O-CG 3.5Å; K345-L349 PolarHBondContact O-N 3.41Å
346	L	94.2	Very high	91.6	Very high	114 Å²	114	101.1 Å²	101.1	60%	0.597	50%	0.501	S	S	*	.	H	α-helix	trans	-67.1	-51.6	172.8	-72.3	167.5	0	0	0	110.1	L342 S343 Q348 L349 E350	L342-L346 WeakPolarHBondContact O-CG 3.47Å; L342-L346 PolarHBondContact O-N 3.01Å; S343-L346 CarbonylContact O-C 3.54Å; S343-L346 WeakPolarHBondContact O-CA 3.25Å; S343-L346 WeakPolarHBondContact O-CB 3.45Å; S343-L346 PolarHBondContact O-N 3.17Å; L346-Q348 PolarHBondContact O-N 2.95Å; L346-L349 CarbonylContact O-C 3.53Å; L346-L349 WeakPolarHBondContact O-CA 3.45Å; L346-L349 PolarHBondContact O-N 3.27Å; L346-E350 WeakPolarHBondContact O-CB 3.11Å; L346-E350 PolarHBondContact O-N 2.96Å
347	D	91.1	Very high	91.8	Very high	64 Å²	64	98.5 Å²	98.5	34%	0.342	50%	0.495	S	S	.	.	H	α-helix	trans	-52.7	-39.2	174.6	-62.5	19.3	0	0	0	112.2	S343 K351	S343-D347 PolarHBondContact O-N 3.27Å; D347-K351 VanDerWaalsContact O-CD 3.28Å; D347-K351 WeakPolarHBondContact O-CD 3.42Å; D347-K351 VanDerWaalsContact O-CG 3.27Å; D347-K351 WeakPolarHBondContact O-CG 3.16Å; D347-K351 PolarHBondContact O-N 3.11Å; D347-K351 VanDerWaalsContact O-N 3.12Å
348	Q	89.8	Confident	91.9	Very high	122 Å²	122	100.5 Å²	100.5	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-77.5	-27.6	179.7	-174.5	56.4	74	0	0	113.1	E344 L346 N352	E344-Q348 WeakPolarHBondContact O-CB 3.44Å; E344-Q348 PolarHBondContact O-N 2.96Å; E344-Q348 VanDerWaalsContact O-N 3.09Å; L346-Q348 PolarHBondContact O-N 2.95Å; Q348-N352 WeakPolarHBondContact O-CB 3.32Å; Q348-N352 PolarHBondContact O-N 2.89Å
349	L	91.6	Very high	91.9	Very high	104 Å²	104	102.2 Å²	102.2	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-77.7	-38.1	171.6	-77.9	167.5	0	0	0	111.5	K345 L346 N352 L353	K345-L349 WeakPolarHBondContact O-CB 3.21Å; K345-L349 WeakPolarHBondContact O-CD1 3.45Å; K345-L349 VanDerWaalsContact O-CG 3.23Å; K345-L349 WeakPolarHBondContact O-CG 3.5Å; K345-L349 PolarHBondContact O-N 3.41Å; L346-L349 CarbonylContact O-C 3.53Å; L346-L349 WeakPolarHBondContact O-CA 3.45Å; L346-L349 PolarHBondContact O-N 3.27Å; L349-N352 CarbonylContact O-C 3.53Å; L349-N352 WeakPolarHBondContact O-CB 3.43Å; L349-N352 PolarHBondContact O-N 3.18Å; L349-N352 VanDerWaalsContact O-N 3.15Å; L349-L353 WeakPolarHBondContact O-CG 3.41Å; L349-L353 PolarHBondContact O-N 2.73Å
350	E	94	Very high	91.8	Very high	122 Å²	122	101.4 Å²	101.4	57%	0.57	51%	0.505	S	S	*	.	H	α-helix	trans	-60.3	-53	174.8	-173.9	165.9	-140.2	0	0	110.2	L346 N352 L353 E354	L346-E350 WeakPolarHBondContact O-CB 3.11Å; L346-E350 PolarHBondContact O-N 2.96Å; E350-N352 PolarHBondContact O-N 2.97Å; E350-N352 VanDerWaalsContact O-N 3.15Å; E350-L353 CarbonylContact O-C 3.59Å; E350-L353 WeakPolarHBondContact O-CA 3.25Å; E350-L353 WeakPolarHBondContact O-CB 3.32Å; E350-L353 PolarHBondContact O-N 3.48Å; E350-E354 WeakPolarHBondContact O-CG 3.41Å; E350-E354 PolarHBondContact O-N 2.97Å
351	K	92.1	Very high	91.8	Very high	103 Å²	103	104.7 Å²	104.7	45%	0.448	52%	0.515	S	S	.	.	H	α-helix	trans	-58.3	-29.6	172.8	-69.2	160.7	-167.2	151.9	0	113.6	D347 E354 L355	D347-K351 VanDerWaalsContact O-CD 3.28Å; D347-K351 WeakPolarHBondContact O-CD 3.42Å; D347-K351 VanDerWaalsContact O-CG 3.27Å; D347-K351 WeakPolarHBondContact O-CG 3.16Å; D347-K351 PolarHBondContact O-N 3.11Å; D347-K351 VanDerWaalsContact O-N 3.12Å; K351-E354 WeakPolarHBondContact CA-OE2 3.46Å; K351-L355 WeakPolarHBondContact O-CD1 3.21Å; K351-L355 VanDerWaalsContact O-CG 3.29Å; K351-L355 WeakPolarHBondContact O-CG 3.35Å; K351-L355 PolarHBondContact O-N 2.87Å
352	N	91.9	Very high	91.8	Very high	66 Å²	66	104.3 Å²	104.3	35%	0.353	52%	0.515	S	S	.	.	H	α-helix	trans	-77.1	-25	174.9	-166.7	-103.4	0	0	0	112.9	Q348 L349 E350 K356	Q348-N352 WeakPolarHBondContact O-CB 3.32Å; Q348-N352 PolarHBondContact O-N 2.89Å; L349-N352 CarbonylContact O-C 3.53Å; L349-N352 WeakPolarHBondContact O-CB 3.43Å; L349-N352 PolarHBondContact O-N 3.18Å; L349-N352 VanDerWaalsContact O-N 3.15Å; E350-N352 PolarHBondContact O-N 2.97Å; E350-N352 VanDerWaalsContact O-N 3.15Å; N352-K356 VanDerWaalsContact O-CD 3.29Å; N352-K356 WeakPolarHBondContact O-CD 3.35Å; N352-K356 VanDerWaalsContact O-CG 3.25Å; N352-K356 WeakPolarHBondContact O-CG 3.41Å; N352-K356 PolarHBondContact O-N 2.85Å; N352-K356 WeakPolarHBondContact OD1-CE 3.21Å; N352-K356 PolarHBondContact OD1-NZ 2.81Å
353	L	93	Very high	91.7	Very high	92 Å²	92	104 Å²	104	48%	0.482	51%	0.514	S	S	.	.	H	α-helix	trans	-80.4	-43.9	172.4	-72.9	165.3	0	0	0	111	L349 E350 L355 K356 F357	L349-L353 WeakPolarHBondContact O-CG 3.41Å; L349-L353 PolarHBondContact O-N 2.73Å; E350-L353 CarbonylContact O-C 3.59Å; E350-L353 WeakPolarHBondContact O-CA 3.25Å; E350-L353 WeakPolarHBondContact O-CB 3.32Å; E350-L353 PolarHBondContact O-N 3.48Å; L353-L355 PolarHBondContact O-N 2.74Å; L353-K356 CarbonylContact O-C 3.57Å; L353-K356 WeakPolarHBondContact O-CA 3.5Å; L353-K356 WeakPolarHBondContact O-CB 3.35Å; L353-K356 PolarHBondContact O-N 3.35Å; L353-F357 HydrophobicContact CB-CD2 4.47Å; L353-F357 HydrophobicContact CB-CE2 4.22Å; L353-F357 WeakPolarHBondContact O-CD2 3.33Å; L353-F357 PolarHBondContact O-N 3.11Å
354	E	92.2	Very high	91.7	Very high	109 Å²	109	107.9 Å²	107.9	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-51.1	-56.2	172.6	-69.4	179	135	0	0	110.9	E350 K351 K356 F357 D358	E350-E354 WeakPolarHBondContact O-CG 3.41Å; E350-E354 PolarHBondContact O-N 2.97Å; K351-E354 WeakPolarHBondContact CA-OE2 3.46Å; E354-K356 PolarHBondContact O-N 3.24Å; E354-K356 VanDerWaalsContact O-N 3.1Å; E354-F357 WeakPolarHBondContact O-CA 3.42Å; E354-F357 PolarHBondContact O-N 3.18Å; E354-D358 PolarHBondContact O-N 2.94Å
355	L	90.5	Very high	91.6	Very high	108 Å²	108	104.3 Å²	104.3	57%	0.565	52%	0.515	S	S	*	.	H	α-helix	trans	-59.1	-26.1	176.9	-70.3	170.7	0	0	0	113.6	K351 L353 M359	K351-L355 WeakPolarHBondContact O-CD1 3.21Å; K351-L355 VanDerWaalsContact O-CG 3.29Å; K351-L355 WeakPolarHBondContact O-CG 3.35Å; K351-L355 PolarHBondContact O-N 2.87Å; L353-L355 PolarHBondContact O-N 2.74Å; L355-M359 WeakPolarHBondContact O-CB 3.38Å; L355-M359 VanDerWaalsContact O-CG 3.24Å; L355-M359 WeakPolarHBondContact O-CG 3.24Å; L355-M359 PolarHBondContact O-N 2.67Å
356	K	92.3	Very high	91.6	Very high	106 Å²	106	101.8 Å²	101.8	46%	0.461	50%	0.504	S	S	.	.	H	α-helix	trans	-81.2	-31.5	174.2	-79.3	169.9	180	158.7	0	112.6	N352 L353 E354 L360	N352-K356 VanDerWaalsContact O-CD 3.29Å; N352-K356 WeakPolarHBondContact O-CD 3.35Å; N352-K356 VanDerWaalsContact O-CG 3.25Å; N352-K356 WeakPolarHBondContact O-CG 3.41Å; N352-K356 PolarHBondContact O-N 2.85Å; N352-K356 WeakPolarHBondContact OD1-CE 3.21Å; N352-K356 PolarHBondContact OD1-NZ 2.81Å; L353-K356 CarbonylContact O-C 3.57Å; L353-K356 WeakPolarHBondContact O-CA 3.5Å; L353-K356 WeakPolarHBondContact O-CB 3.35Å; L353-K356 PolarHBondContact O-N 3.35Å; E354-K356 PolarHBondContact O-N 3.24Å; E354-K356 VanDerWaalsContact O-N 3.1Å; K356-L360 WeakPolarHBondContact O-CB 3.11Å; K356-L360 WeakPolarHBondContact O-CG 3.36Å; K356-L360 PolarHBondContact O-N 3.27Å
357	F	93.8	Very high	91.4	Very high	124 Å²	124	102 Å²	102	54%	0.544	51%	0.505	S	S	.	.	H	α-helix	trans	-68.8	-45.1	171.2	-73.2	-63.2	0	0	0	110.6	L353 E354 M359 L360 D361	L353-F357 HydrophobicContact CB-CD2 4.47Å; L353-F357 HydrophobicContact CB-CE2 4.22Å; L353-F357 WeakPolarHBondContact O-CD2 3.33Å; L353-F357 PolarHBondContact O-N 3.11Å; E354-F357 WeakPolarHBondContact O-CA 3.42Å; E354-F357 PolarHBondContact O-N 3.18Å; F357-M359 VanDerWaalsContact C-N 3.31Å; F357-M359 PolarHBondContact O-N 3.09Å; F357-L360 HydrophobicContact CD1-CD1 4.47Å; F357-L360 WeakPolarHBondContact O-CA 3.34Å; F357-L360 PolarHBondContact O-N 3.4Å; F357-D361 PolarHBondContact O-N 2.99Å
358	D	92.3	Very high	91.4	Very high	98 Å²	98	101.5 Å²	101.5	52%	0.524	51%	0.507	S	S	.	.	H	α-helix	trans	-53.6	-48.1	172.1	-67.1	-27.3	0	0	0	111.3	E354 L360 D361 E362	E354-D358 PolarHBondContact O-N 2.94Å; D358-L360 VanDerWaalsContact C-N 3.33Å; D358-L360 PolarHBondContact O-N 2.98Å; D358-D361 PolarHBondContact O-N 3.19Å; D358-E362 WeakPolarHBondContact O-CB 3.2Å; D358-E362 PolarHBondContact O-N 2.76Å
359	M	89.9	Confident	91.5	Very high	120 Å²	120	101.8 Å²	101.8	59%	0.591	51%	0.508	S	S	*	.	H	α-helix	trans	-65.5	-30.8	175.5	-75.7	-177.3	72.4	0	0	113.6	L355 F357 N363	L355-M359 WeakPolarHBondContact O-CB 3.38Å; L355-M359 VanDerWaalsContact O-CG 3.24Å; L355-M359 WeakPolarHBondContact O-CG 3.24Å; L355-M359 PolarHBondContact O-N 2.67Å; F357-M359 VanDerWaalsContact C-N 3.31Å; F357-M359 PolarHBondContact O-N 3.09Å; M359-N363 WeakPolarHBondContact O-CB 3.47Å; M359-N363 PolarHBondContact O-N 2.83Å; M359-N363 VanDerWaalsContact O-N 3.14Å; M359-N363 PolarHBondContact O-ND2 3.15Å
360	L	91.9	Very high	91.5	Very high	102 Å²	102	101.3 Å²	101.3	53%	0.534	51%	0.506	S	S	.	.	H	α-helix	trans	-74.2	-42.1	176.8	-80	167.1	0	0	0	111.1	K356 F357 D358 N363 Q364	K356-L360 WeakPolarHBondContact O-CB 3.11Å; K356-L360 WeakPolarHBondContact O-CG 3.36Å; K356-L360 PolarHBondContact O-N 3.27Å; F357-L360 HydrophobicContact CD1-CD1 4.47Å; F357-L360 WeakPolarHBondContact O-CA 3.34Å; F357-L360 PolarHBondContact O-N 3.4Å; D358-L360 VanDerWaalsContact C-N 3.33Å; D358-L360 PolarHBondContact O-N 2.98Å; L360-N363 CarbonylContact O-C 3.25Å; L360-N363 PolarHBondContact O-N 3.43Å; L360-N363 VanDerWaalsContact O-N 3.14Å; L360-Q364 WeakPolarHBondContact O-CB 3.44Å; L360-Q364 PolarHBondContact O-N 2.83Å
361	D	90.8	Very high	91.4	Very high	101 Å²	101	99.8 Å²	99.8	54%	0.54	50%	0.502	S	S	.	.	H	α-helix	trans	-65.4	-40.5	175.5	-79.5	0.3	0	0	0	111.2	F357 D358 N363 Q364 S365	F357-D361 PolarHBondContact O-N 2.99Å; D358-D361 PolarHBondContact O-N 3.19Å; D361-N363 VanDerWaalsContact C-N 3.29Å; D361-N363 PolarHBondContact O-N 2.79Å; D361-Q364 PolarHBondContact O-N 3.17Å; D361-S365 WeakPolarHBondContact O-CB 3.11Å; D361-S365 PolarHBondContact O-N 3.04Å; D361-S365 PolarHBondContact O-OG 2.79Å
362	E	90	Very high	91.2	Very high	114 Å²	114	99.5 Å²	99.5	53%	0.533	50%	0.503	S	S	.	.	H	α-helix	trans	-60.6	-34.1	170.4	-100.4	-158.3	-137	0	0	113.3	D358 S365 K366	D358-E362 WeakPolarHBondContact O-CB 3.2Å; D358-E362 PolarHBondContact O-N 2.76Å; E362-S365 PolarHBondContact O-OG 3.2Å; E362-S365 VanDerWaalsContact O-OG 3.05Å; E362-K366 WeakPolarHBondContact O-CD 3.38Å; E362-K366 WeakPolarHBondContact O-CE 3.38Å; E362-K366 WeakPolarHBondContact O-CG 3.47Å; E362-K366 PolarHBondContact O-N 2.83Å; E362-K366 IonicContact OE2-NZ 3.93Å; E362-K366 PolarHBondContact OE2-NZ 3.36Å
363	N	89.6	Confident	91	Very high	88 Å²	88	101.7 Å²	101.7	47%	0.471	51%	0.511	S	S	.	.	H	α-helix	trans	-82.2	-30.8	177.5	-74.5	-43.1	0	0	0	111.8	M359 L360 D361 L367	M359-N363 WeakPolarHBondContact O-CB 3.47Å; M359-N363 PolarHBondContact O-N 2.83Å; M359-N363 VanDerWaalsContact O-N 3.14Å; M359-N363 PolarHBondContact O-ND2 3.15Å; L360-N363 CarbonylContact O-C 3.25Å; L360-N363 PolarHBondContact O-N 3.43Å; L360-N363 VanDerWaalsContact O-N 3.14Å; D361-N363 VanDerWaalsContact C-N 3.29Å; D361-N363 PolarHBondContact O-N 2.79Å; N363-L367 WeakPolarHBondContact O-CB 3.42Å; N363-L367 PolarHBondContact O-N 3.17Å
364	Q	92.4	Very high	90.8	Very high	138 Å²	138	104.6 Å²	104.6	65%	0.645	52%	0.52	S	S	*	.	H	α-helix	trans	-71.3	-36.7	174.7	-177.8	171.2	-50.3	0	0	111.7	L360 D361 S368	L360-Q364 WeakPolarHBondContact O-CB 3.44Å; L360-Q364 PolarHBondContact O-N 2.83Å; D361-Q364 PolarHBondContact O-N 3.17Å; Q364-S368 VanDerWaalsContact O-CB 3.23Å; Q364-S368 WeakPolarHBondContact O-CB 3.16Å; Q364-S368 PolarHBondContact O-N 3.31Å
365	S	90.1	Very high	90.6	Very high	55 Å²	55	107.6 Å²	107.6	39%	0.385	53%	0.527	S	S	.	.	H	α-helix	trans	-65.9	-49.2	173.5	62.4	0	0	0	0	111.2	D361 E362 L367 S368 E369	D361-S365 WeakPolarHBondContact O-CB 3.11Å; D361-S365 PolarHBondContact O-N 3.04Å; D361-S365 PolarHBondContact O-OG 2.79Å; E362-S365 PolarHBondContact O-OG 3.2Å; E362-S365 VanDerWaalsContact O-OG 3.05Å; S365-L367 PolarHBondContact O-N 2.55Å; S365-S368 CarbonylContact O-C 3.57Å; S365-S368 WeakPolarHBondContact O-CA 3.46Å; S365-S368 VanDerWaalsContact O-CB 3.31Å; S365-S368 WeakPolarHBondContact O-CB 3.3Å; S365-S368 PolarHBondContact O-N 3.12Å; S365-S368 VanDerWaalsContact O-N 3.08Å; S365-E369 WeakPolarHBondContact O-CG 3.38Å; S365-E369 PolarHBondContact O-N 3.2Å
366	K	90.6	Very high	90.6	Very high	87 Å²	87	109.5 Å²	109.5	38%	0.378	53%	0.526	S	S	.	.	H	α-helix	trans	-57.4	-48.4	174.6	-68.4	162.5	-158.3	157.3	0	112	E362 S368 E369 D370	E362-K366 WeakPolarHBondContact O-CD 3.38Å; E362-K366 WeakPolarHBondContact O-CE 3.38Å; E362-K366 WeakPolarHBondContact O-CG 3.47Å; E362-K366 PolarHBondContact O-N 2.83Å; E362-K366 IonicContact OE2-NZ 3.93Å; E362-K366 PolarHBondContact OE2-NZ 3.36Å; K366-S368 PolarHBondContact O-N 3.33Å; K366-E369 PolarHBondContact O-N 2.87Å; K366-E369 VanDerWaalsContact O-N 3.09Å; K366-D370 WeakPolarHBondContact O-CB 3.15Å; K366-D370 VanDerWaalsContact O-CG 3.26Å; K366-D370 PolarHBondContact O-N 3.47Å
367	L	89.1	Confident	90.4	Very high	118 Å²	118	109.1 Å²	109.1	62%	0.618	53%	0.529	S	S	*	.	H	α-helix	trans	-63.6	-29	177.2	-174.8	63.9	0	0	0	112.8	N363 S365 L371	N363-L367 WeakPolarHBondContact O-CB 3.42Å; N363-L367 PolarHBondContact O-N 3.17Å; S365-L367 PolarHBondContact O-N 2.55Å; L367-L371 WeakPolarHBondContact O-CB 3.42Å; L367-L371 PolarHBondContact O-N 2.95Å
368	S	92.2	Very high	90	Very high	54 Å²	54	105.4 Å²	105.4	38%	0.378	52%	0.522	S	S	.	.	H	α-helix	trans	-72.2	-40.9	172.4	-176.2	0	0	0	0	111.7	Q364 S365 K366 L371 M372	Q364-S368 VanDerWaalsContact O-CB 3.23Å; Q364-S368 WeakPolarHBondContact O-CB 3.16Å; Q364-S368 PolarHBondContact O-N 3.31Å; S365-S368 CarbonylContact O-C 3.57Å; S365-S368 WeakPolarHBondContact O-CA 3.46Å; S365-S368 VanDerWaalsContact O-CB 3.31Å; S365-S368 WeakPolarHBondContact O-CB 3.3Å; S365-S368 PolarHBondContact O-N 3.12Å; S365-S368 VanDerWaalsContact O-N 3.08Å; K366-S368 PolarHBondContact O-N 3.33Å; S368-L371 PolarHBondContact O-N 3.32Å; S368-M372 WeakPolarHBondContact O-CG 3.37Å; S368-M372 PolarHBondContact O-N 2.94Å
369	E	91.9	Very high	89.7	Confident	129 Å²	129	103.6 Å²	103.6	60%	0.603	52%	0.517	S	S	*	.	H	α-helix	trans	-64.9	-48.5	174.2	-70.9	179.8	167.4	0	0	111.4	S365 K366 L371 M372 E373	S365-E369 WeakPolarHBondContact O-CG 3.38Å; S365-E369 PolarHBondContact O-N 3.2Å; K366-E369 PolarHBondContact O-N 2.87Å; K366-E369 VanDerWaalsContact O-N 3.09Å; E369-L371 VanDerWaalsContact C-N 3.28Å; E369-L371 PolarHBondContact O-N 2.89Å; E369-M372 CarbonylContact O-C 3.52Å; E369-M372 WeakPolarHBondContact O-CA 3.27Å; E369-M372 WeakPolarHBondContact O-CB 3.43Å; E369-M372 PolarHBondContact O-N 3.28Å; E369-E373 PolarHBondContact O-N 2.8Å
370	D	91.1	Very high	89.4	Confident	94 Å²	94	103.8 Å²	103.8	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-53.5	-44.1	171.7	-68.5	-17.8	0	0	0	111.1	K366 E373 F374	K366-D370 WeakPolarHBondContact O-CB 3.15Å; K366-D370 VanDerWaalsContact O-CG 3.26Å; K366-D370 PolarHBondContact O-N 3.47Å; D370-E373 PolarHBondContact O-N 2.8Å; D370-F374 VanDerWaalsContact O-CB 3.28Å; D370-F374 WeakPolarHBondContact O-CB 3.21Å; D370-F374 PolarHBondContact O-N 2.83Å
371	L	91.7	Very high	88.9	Confident	90 Å²	90	104.3 Å²	104.3	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-69.9	-30.8	178.1	-177.5	63.8	0	0	0	112.5	L367 S368 E369 R375	L367-L371 WeakPolarHBondContact O-CB 3.42Å; L367-L371 PolarHBondContact O-N 2.95Å; S368-L371 PolarHBondContact O-N 3.32Å; E369-L371 VanDerWaalsContact C-N 3.28Å; E369-L371 PolarHBondContact O-N 2.89Å; L371-R375 WeakPolarHBondContact O-CB 3.4Å; L371-R375 WeakPolarHBondContact O-CG 3.24Å; L371-R375 PolarHBondContact O-N 2.87Å
372	M	87.9	Confident	88.6	Confident	97 Å²	97	104.2 Å²	104.2	48%	0.478	52%	0.52	S	S	.	.	H	α-helix	trans	-72.9	-39.5	171.9	-72.6	-167.5	-156.8	0	0	111.8	S368 E369 R375 R376	S368-M372 WeakPolarHBondContact O-CG 3.37Å; S368-M372 PolarHBondContact O-N 2.94Å; E369-M372 CarbonylContact O-C 3.52Å; E369-M372 WeakPolarHBondContact O-CA 3.27Å; E369-M372 WeakPolarHBondContact O-CB 3.43Å; E369-M372 PolarHBondContact O-N 3.28Å; M372-R375 PolarHBondContact O-N 3.31Å; M372-R376 WeakPolarHBondContact O-CG 3.34Å; M372-R376 PolarHBondContact O-N 3.3Å
373	E	87.9	Confident	88.1	Confident	112 Å²	112	102.2 Å²	102.2	52%	0.523	51%	0.513	S	S	.	.	H	α-helix	trans	-64.4	-50	173.7	-171.9	163	-130.6	0	0	110.8	E369 D370 R375 R376 D377	E369-E373 PolarHBondContact O-N 2.8Å; D370-E373 PolarHBondContact O-N 2.8Å; E373-R375 PolarHBondContact O-N 3.14Å; E373-R375 VanDerWaalsContact O-N 3.15Å; E373-R376 CarbonylContact O-C 3.57Å; E373-R376 WeakPolarHBondContact O-CA 3.27Å; E373-R376 WeakPolarHBondContact O-CB 3.41Å; E373-R376 PolarHBondContact O-N 3.23Å; E373-D377 PolarHBondContact O-N 2.85Å
374	F	89.1	Confident	87.6	Confident	152 Å²	152	103.3 Å²	103.3	67%	0.667	52%	0.515	S	S	*	.	H	α-helix	trans	-58.9	-30	174.6	-164.1	-87.1	0	0	0	112.9	D370 A378	D370-F374 VanDerWaalsContact O-CB 3.28Å; D370-F374 WeakPolarHBondContact O-CB 3.21Å; D370-F374 PolarHBondContact O-N 2.83Å; F374-A378 WeakPolarHBondContact O-CB 3.5Å; F374-A378 PolarHBondContact O-N 3.46Å
375	R	88.3	Confident	87	Confident	172 Å²	172	100.7 Å²	100.7	65%	0.649	51%	0.505	S	S	*	.	H	α-helix	trans	-72.9	-35.1	171.2	-81.6	174.8	177.7	-163.8	2.1	113.3	L371 M372 E373 S379	L371-R375 WeakPolarHBondContact O-CB 3.4Å; L371-R375 WeakPolarHBondContact O-CG 3.24Å; L371-R375 PolarHBondContact O-N 2.87Å; M372-R375 PolarHBondContact O-N 3.31Å; E373-R375 PolarHBondContact O-N 3.14Å; E373-R375 VanDerWaalsContact O-N 3.15Å; R375-S379 WeakPolarHBondContact O-CB 3.25Å; R375-S379 PolarHBondContact O-N 3.09Å
376	R	89.4	Confident	86.4	Confident	148 Å²	148	100.9 Å²	100.9	56%	0.558	51%	0.506	S	S	*	.	H	α-helix	trans	-66.4	-47.4	171.7	-67.9	174.9	-161.7	108	1.9	109.9	M372 E373 A378 S379 M380	M372-R376 WeakPolarHBondContact O-CG 3.34Å; M372-R376 PolarHBondContact O-N 3.3Å; E373-R376 CarbonylContact O-C 3.57Å; E373-R376 WeakPolarHBondContact O-CA 3.27Å; E373-R376 WeakPolarHBondContact O-CB 3.41Å; E373-R376 PolarHBondContact O-N 3.23Å; R376-A378 PolarHBondContact O-N 3.04Å; R376-S379 WeakPolarHBondContact O-CA 3.36Å; R376-S379 WeakPolarHBondContact O-CB 3.26Å; R376-S379 PolarHBondContact O-N 2.91Å; R376-S379 VanDerWaalsContact O-N 3.08Å; R376-M380 VanDerWaalsContact O-CG 3.31Å; R376-M380 WeakPolarHBondContact O-CG 3.32Å; R376-M380 PolarHBondContact O-N 2.84Å
377	D	87.9	Confident	85.4	Confident	98 Å²	98	102.3 Å²	102.3	52%	0.524	51%	0.514	S	S	.	.	H	α-helix	trans	-60.9	-42.6	176.3	-76	-0.2	0	0	0	111.9	E373 S379 M380 L381	E373-D377 PolarHBondContact O-N 2.85Å; D377-S379 VanDerWaalsContact C-N 3.32Å; D377-S379 PolarHBondContact O-N 3.15Å; D377-M380 PolarHBondContact O-N 3.16Å; D377-L381 WeakPolarHBondContact O-CB 3.49Å; D377-L381 PolarHBondContact O-N 3.32Å
378	A	85.6	Confident	84.4	Confident	46 Å²	46	99.3 Å²	99.3	38%	0.38	50%	0.498	S	S	.	.	H	α-helix	trans	-66	-32.6	174.1	0	0	0	0	0	112.8	F374 R376 N382	F374-A378 WeakPolarHBondContact O-CB 3.5Å; F374-A378 PolarHBondContact O-N 3.46Å; R376-A378 PolarHBondContact O-N 3.04Å; A378-N382 WeakPolarHBondContact O-CB 3.48Å; A378-N382 PolarHBondContact O-N 3.37Å
379	S	85.8	Confident	83.5	Confident	60 Å²	60	100.7 Å²	100.7	42%	0.42	50%	0.501	S	S	.	.	H	α-helix	trans	-68.1	-51.3	171.8	-163.7	0	0	0	0	110.8	R375 R376 D377 L381 N382 D383	R375-S379 WeakPolarHBondContact O-CB 3.25Å; R375-S379 PolarHBondContact O-N 3.09Å; R376-S379 WeakPolarHBondContact O-CA 3.36Å; R376-S379 WeakPolarHBondContact O-CB 3.26Å; R376-S379 PolarHBondContact O-N 2.91Å; R376-S379 VanDerWaalsContact O-N 3.08Å; D377-S379 VanDerWaalsContact C-N 3.32Å; D377-S379 PolarHBondContact O-N 3.15Å; S379-L381 VanDerWaalsContact C-N 3.29Å; S379-L381 PolarHBondContact O-N 3.12Å; S379-N382 CarbonylContact O-C 3.5Å; S379-N382 WeakPolarHBondContact O-CA 2.79Å; S379-N382 WeakPolarHBondContact O-CB 3.41Å; S379-N382 PolarHBondContact O-N 3.08Å; S379-D383 WeakPolarHBondContact O-CB 3.41Å; S379-D383 PolarHBondContact O-N 3.2Å
380	M	83.9	Confident	82.3	Confident	125 Å²	125	97 Å²	97	62%	0.616	49%	0.493	S	S	*	.	H	α-helix	trans	-55.6	-43.8	176.2	-69.3	-73.9	-68.1	0	0	111.4	R376 D377 D383 E384	R376-M380 VanDerWaalsContact O-CG 3.31Å; R376-M380 WeakPolarHBondContact O-CG 3.32Å; R376-M380 PolarHBondContact O-N 2.84Å; D377-M380 PolarHBondContact O-N 3.16Å; M380-D383 PolarHBondContact O-N 3.41Å; M380-E384 WeakPolarHBondContact O-CB 3.39Å; M380-E384 WeakPolarHBondContact O-CG 3.47Å; M380-E384 PolarHBondContact O-N 3.08Å
381	L	82.3	Confident	80.6	Confident	113 Å²	113	100.9 Å²	100.9	59%	0.592	50%	0.5	S	S	*	.	H	α-helix	trans	-67.5	-34.6	176	-167.5	76.9	0	0	0	112.2	D377 S379 L385	D377-L381 WeakPolarHBondContact O-CB 3.49Å; D377-L381 PolarHBondContact O-N 3.32Å; S379-L381 VanDerWaalsContact C-N 3.29Å; S379-L381 PolarHBondContact O-N 3.12Å; L381-L385 VanDerWaalsContact O-CB 3.24Å; L381-L385 WeakPolarHBondContact O-CB 3.33Å; L381-L385 WeakPolarHBondContact O-CG 3.26Å; L381-L385 PolarHBondContact O-N 3.25Å
382	N	83.8	Confident	78.7	Confident	99 Å²	99	100.6 Å²	100.6	53%	0.529	50%	0.499	S	S	.	.	H	α-helix	trans	-70.9	-36.2	174.4	-180	86.1	0	0	0	111.9	A378 S379 L385 S386	A378-N382 WeakPolarHBondContact O-CB 3.48Å; A378-N382 PolarHBondContact O-N 3.37Å; S379-N382 CarbonylContact O-C 3.5Å; S379-N382 WeakPolarHBondContact O-CA 2.79Å; S379-N382 WeakPolarHBondContact O-CB 3.41Å; S379-N382 PolarHBondContact O-N 3.08Å; N382-L385 CarbonylContact O-C 3.53Å; N382-L385 WeakPolarHBondContact O-CB 3.1Å; N382-L385 PolarHBondContact O-N 3.13Å; N382-S386 WeakPolarHBondContact O-CB 3.41Å; N382-S386 PolarHBondContact O-N 2.97Å
383	D	79.1	Confident	77.3	Confident	72 Å²	72	102.9 Å²	102.9	39%	0.385	51%	0.513	S	S	.	.	H	α-helix	trans	-72.3	-42.3	177	-63.1	-30.8	0	0	0	110.5	S379 M380 S386 H387	S379-D383 WeakPolarHBondContact O-CB 3.41Å; S379-D383 PolarHBondContact O-N 3.2Å; M380-D383 PolarHBondContact O-N 3.41Å; D383-S386 CarbonylContact O-C 3.56Å; D383-S386 WeakPolarHBondContact O-CA 3.38Å; D383-S386 WeakPolarHBondContact O-CB 3.2Å; D383-S386 PolarHBondContact O-N 2.95Å; D383-S386 VanDerWaalsContact O-N 3.07Å; D383-S386 PolarHBondContact O-OG 2.81Å; D383-H387 PolarHBondContact O-CD2 3.27Å; D383-H387 VanDerWaalsContact O-CD2 3.24Å; D383-H387 PolarHBondContact O-N 3.32Å
384	E	79.8	Confident	75.5	Confident	110 Å²	110	105.1 Å²	105.1	51%	0.514	53%	0.526	S	S	.	.	H	α-helix	trans	-59.4	-42.8	166.5	-78.1	-67.3	162.1	0	0	111.9	M380 S386 H387 I388	M380-E384 WeakPolarHBondContact O-CB 3.39Å; M380-E384 WeakPolarHBondContact O-CG 3.47Å; M380-E384 PolarHBondContact O-N 3.08Å; E384-S386 VanDerWaalsContact C-N 3.27Å; E384-S386 PolarHBondContact O-N 2.92Å; E384-H387 CarbonylContact O-C 3.5Å; E384-H387 PolarHBondContact O-N 3.19Å; E384-I388 WeakPolarHBondContact O-CB 3.32Å; E384-I388 VanDerWaalsContact O-CG1 3.25Å; E384-I388 WeakPolarHBondContact O-CG1 3.39Å; E384-I388 PolarHBondContact O-N 2.84Å
385	L	79.3	Confident	73.4	Confident	83 Å²	83	100.4 Å²	100.4	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-61.7	-34.2	171.3	-90.5	162.5	0	0	0	112.1	L381 N382 N389	L381-L385 VanDerWaalsContact O-CB 3.24Å; L381-L385 WeakPolarHBondContact O-CB 3.33Å; L381-L385 WeakPolarHBondContact O-CG 3.26Å; L381-L385 PolarHBondContact O-N 3.25Å; N382-L385 CarbonylContact O-C 3.53Å; N382-L385 WeakPolarHBondContact O-CB 3.1Å; N382-L385 PolarHBondContact O-N 3.13Å; L385-N389 VanDerWaalsContact O-CB 3.23Å; L385-N389 WeakPolarHBondContact O-CB 3.4Å; L385-N389 VanDerWaalsContact O-CG 3.24Å; L385-N389 PolarHBondContact O-N 2.87Å; L385-N389 PolarHBondContact O-ND2 3.09Å
386	S	77.9	Confident	71.3	Confident	59 Å²	59	98 Å²	98	41%	0.413	52%	0.519	S	S	.	.	H	α-helix	trans	-68.2	-40.9	174.4	90.8	0	0	0	0	111.1	N382 D383 E384 N389 A390	N382-S386 WeakPolarHBondContact O-CB 3.41Å; N382-S386 PolarHBondContact O-N 2.97Å; D383-S386 CarbonylContact O-C 3.56Å; D383-S386 WeakPolarHBondContact O-CA 3.38Å; D383-S386 WeakPolarHBondContact O-CB 3.2Å; D383-S386 PolarHBondContact O-N 2.95Å; D383-S386 VanDerWaalsContact O-N 3.07Å; D383-S386 PolarHBondContact O-OG 2.81Å; E384-S386 VanDerWaalsContact C-N 3.27Å; E384-S386 PolarHBondContact O-N 2.92Å; S386-N389 PolarHBondContact O-N 3.24Å; S386-A390 WeakPolarHBondContact O-CB 3.47Å; S386-A390 PolarHBondContact O-N 2.95Å
387	H	70.5	Confident	69	Low	118 Å²	118	99.4 Å²	99.4	55%	0.546	54%	0.536	S	S	.	.	H	α-helix	trans	-67.4	-39.7	174.3	-76.5	-60.7	0	0	0	112.3	D383 E384 A390 R391	D383-H387 PolarHBondContact O-CD2 3.27Å; D383-H387 VanDerWaalsContact O-CD2 3.24Å; D383-H387 PolarHBondContact O-N 3.32Å; E384-H387 CarbonylContact O-C 3.5Å; E384-H387 PolarHBondContact O-N 3.19Å; H387-A390 PolarHBondContact O-N 3.49Å; H387-R391 WeakPolarHBondContact O-CB 3.16Å; H387-R391 VanDerWaalsContact O-CG 3.25Å; H387-R391 WeakPolarHBondContact O-CG 3.38Å; H387-R391 PolarHBondContact O-N 3.48Å
388	I	68.3	Low	66.6	Low	55 Å²	55	97.2 Å²	97.2	28%	0.282	54%	0.537	S	S	.	.	H	α-helix	trans	-65.7	-46.3	174.2	-70.1	164.6	0	0	0	110	E384 A390 R391 L392	E384-I388 WeakPolarHBondContact O-CB 3.32Å; E384-I388 VanDerWaalsContact O-CG1 3.25Å; E384-I388 WeakPolarHBondContact O-CG1 3.39Å; E384-I388 PolarHBondContact O-N 2.84Å; I388-A390 VanDerWaalsContact C-N 3.33Å; I388-A390 PolarHBondContact O-N 2.81Å; I388-R391 CarbonylContact O-C 3.54Å; I388-R391 PolarHBondContact O-N 3.44Å; I388-R391 VanDerWaalsContact O-N 3.13Å; I388-L392 HydrophobicContact CG2-CD1 3.87Å; I388-L392 HydrophobicContact CG2-CG 4.33Å; I388-L392 WeakPolarHBondContact O-CB 3.3Å; I388-L392 VanDerWaalsContact O-CG 3.3Å; I388-L392 WeakPolarHBondContact O-CG 3.34Å; I388-L392 PolarHBondContact O-N 3.4Å
389	N	72.2	Confident	64.2	Low	83 Å²	83	100.9 Å²	100.9	44%	0.444	56%	0.559	S	S	.	*	H	α-helix	trans	-62	-38.6	174.8	-78.2	-45.8	0	0	0	112.1	L385 S386 L392 N393	L385-N389 VanDerWaalsContact O-CB 3.23Å; L385-N389 WeakPolarHBondContact O-CB 3.4Å; L385-N389 VanDerWaalsContact O-CG 3.24Å; L385-N389 PolarHBondContact O-N 2.87Å; L385-N389 PolarHBondContact O-ND2 3.09Å; S386-N389 PolarHBondContact O-N 3.24Å; N389-L392 PolarHBondContact O-N 2.85Å; N389-N393 VanDerWaalsContact O-CB 3.29Å; N389-N393 WeakPolarHBondContact O-CB 3.41Å; N389-N393 PolarHBondContact O-N 2.96Å; N389-N393 PolarHBondContact O-ND2 3.39Å
390	A	66.4	Low	61.8	Low	51 Å²	51	107 Å²	107	42%	0.421	58%	0.575	S	S	.	*	H	α-helix	trans	-63.1	-40.3	172.7	0	0	0	0	0	111.9	S386 H387 I388 N393 M394	S386-A390 WeakPolarHBondContact O-CB 3.47Å; S386-A390 PolarHBondContact O-N 2.95Å; H387-A390 PolarHBondContact O-N 3.49Å; I388-A390 VanDerWaalsContact C-N 3.33Å; I388-A390 PolarHBondContact O-N 2.81Å; A390-N393 PolarHBondContact O-N 3.42Å; A390-M394 WeakPolarHBondContact O-CB 3.38Å; A390-M394 VanDerWaalsContact O-CG 3.24Å; A390-M394 WeakPolarHBondContact O-CG 3.48Å; A390-M394 PolarHBondContact O-N 3.33Å
391	R	55.6	Low	59.7	Low	175 Å²	175	105.8 Å²	105.8	66%	0.66	57%	0.571	S	S	*	*	H	α-helix	trans	-70.5	-34.4	176.3	-71.6	171.7	70.6	173.7	3.2	113.2	H387 I388 M394	H387-R391 WeakPolarHBondContact O-CB 3.16Å; H387-R391 VanDerWaalsContact O-CG 3.25Å; H387-R391 WeakPolarHBondContact O-CG 3.38Å; H387-R391 PolarHBondContact O-N 3.48Å; I388-R391 CarbonylContact O-C 3.54Å; I388-R391 PolarHBondContact O-N 3.44Å; I388-R391 VanDerWaalsContact O-N 3.13Å; R391-M394 PolarHBondContact O-N 3.26Å
392	L	51.7	Low	58	Low	85 Å²	85	105.5 Å²	105.5	45%	0.445	58%	0.576	S	S	.	*	H	α-helix	trans	-68.7	-43.7	172.7	-70.8	169.1	0	0	0	111.2	I388 N389 M394 G395	I388-L392 HydrophobicContact CG2-CD1 3.87Å; I388-L392 HydrophobicContact CG2-CG 4.33Å; I388-L392 WeakPolarHBondContact O-CB 3.3Å; I388-L392 VanDerWaalsContact O-CG 3.3Å; I388-L392 WeakPolarHBondContact O-CG 3.34Å; I388-L392 PolarHBondContact O-N 3.4Å; N389-L392 PolarHBondContact O-N 2.85Å; L392-M394 PolarHBondContact O-N 3.11Å; L392-G395 PolarHBondContact O-N 2.91Å
393	N	58.9	Low	56.7	Low	144 Å²	144	107.8 Å²	107.8	77%	0.77	58%	0.583	S	S	*	*	H	α-helix	trans	-65.2	-22	173.3	-71.8	-24.6	0	0	0	112.9	N389 A390 G395	N389-N393 VanDerWaalsContact O-CB 3.29Å; N389-N393 WeakPolarHBondContact O-CB 3.41Å; N389-N393 PolarHBondContact O-N 2.96Å; N389-N393 PolarHBondContact O-ND2 3.39Å; A390-N393 PolarHBondContact O-N 3.42Å; N393-G395 PolarHBondContact O-N 2.99Å
394	M	50.8	Low	56.1	Low	160 Å²	160	108.6 Å²	108.6	79%	0.788	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	13	169.5	-72.2	-70.6	-178.5	0	0	113.9	A390 R391 L392 I396	A390-M394 WeakPolarHBondContact O-CB 3.38Å; A390-M394 VanDerWaalsContact O-CG 3.24Å; A390-M394 WeakPolarHBondContact O-CG 3.48Å; A390-M394 PolarHBondContact O-N 3.33Å; R391-M394 PolarHBondContact O-N 3.26Å; L392-M394 PolarHBondContact O-N 3.11Å; M394-I396 PolarHBondContact O-N 2.86Å
395	G	45.1	Very low	56.2	Low	53 Å²	53	107.3 Å²	107.3	55%	0.546	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	78.7	13.1	160.5	0	0	0	0	0	116.8	L392 N393 L397	L392-G395 PolarHBondContact O-N 2.91Å; N393-G395 PolarHBondContact O-N 2.99Å; G395-L397 PolarHBondContact O-N 2.97Å; G395-L397 VanDerWaalsContact O-N 3.12Å
396	I	42.9	Very low	56.7	Low	121 Å²	121	103.6 Å²	103.6	62%	0.621	56%	0.561	S	S	*	*			trans	-81.6	92	175	-56.1	-179.2	0	0	0	109.4	M394 G398	M394-I396 PolarHBondContact O-N 2.86Å; I396-G398 VanDerWaalsContact C-N 3.26Å; I396-G398 PolarHBondContact O-N 2.78Å
397	L	42.2	Very low	57.3	Low	178 Å²	178	106.4 Å²	106.4	93%	0.932	57%	0.566	S	S	*	*			trans	-70	79.6	168.7	-90.2	108.8	0	0	0	111.3	G395	G395-L397 PolarHBondContact O-N 2.97Å; G395-L397 VanDerWaalsContact O-N 3.12Å
398	G	36.9	Very low	58.3	Low	52 Å²	52	102.8 Å²	102.8	54%	0.536	55%	0.553	S	S	.	*			trans	-86.1	127	155.4	0	0	0	0	0	109.6	I396 Y400	I396-G398 VanDerWaalsContact C-N 3.26Å; I396-G398 PolarHBondContact O-N 2.78Å; G398-Y400 PolarHBondContact O-N 3.19Å; G398-Y400 VanDerWaalsContact O-N 3.15Å
399	S	35.3	Very low	59.4	Low	122 Å²	122	106.2 Å²	106.2	85%	0.853	57%	0.566	S	S	*	*			trans	-67.8	108.8	-177.1	51	0	0	0	0	112.3	D401	S399-D401 PolarHBondContact O-N 3.07Å; S399-D401 VanDerWaalsContact O-N 3.13Å
400	Y	34.4	Very low	60.2	Low	188 Å²	188	103.6 Å²	103.6	74%	0.737	56%	0.559	S	S	*	*			trans	-72.1	96.2	165.5	-105.6	-97.9	0	0	0	109.7	G398	G398-Y400 PolarHBondContact O-N 3.19Å; G398-Y400 VanDerWaalsContact O-N 3.15Å
401	D	40	Very low	61.5	Low	100 Å²	100	104.1 Å²	104.1	54%	0.535	56%	0.557	S	S	.	*			trans	-67.6	125.7	165.5	-176	47.3	0	0	0	109	S399 Q403	S399-D401 PolarHBondContact O-N 3.07Å; S399-D401 VanDerWaalsContact O-N 3.13Å; D401-Q403 PolarHBondContact O-N 3.2Å
402	P	48	Very low	63.4	Low	108 Å²	108	96.3 Å²	96.3	70%	0.701	53%	0.528	S	S	*	.			trans	-63	108.6	175.7	25	-34.3	0	0	0	110	Q404	P402-Q404 PolarHBondContact O-N 2.8Å; P402-Q404 VanDerWaalsContact O-N 3.15Å
403	Q	56.5	Low	65.5	Low	146 Å²	146	97.2 Å²	97.2	68%	0.682	54%	0.536	S	S	*	.			trans	-40	119.6	-172.7	-70.2	-177.4	-9.7	0	0	112.7	D401 I405	D401-Q403 PolarHBondContact O-N 3.2Å; Q403-I405 VanDerWaalsContact C-N 3.34Å; Q403-I405 WeakPolarHBondContact O-CG1 3.31Å; Q403-I405 PolarHBondContact O-N 2.81Å
404	Q	65	Low	67.1	Low	89 Å²	89	91.7 Å²	91.7	42%	0.416	51%	0.514	S	S	.	.			trans	-64.9	88.7	177	-70.5	176.2	22.8	0	0	111.5	P402 C690	P402-Q404 PolarHBondContact O-N 2.8Å; P402-Q404 VanDerWaalsContact O-N 3.15Å; Q404-C690 HydrophobicContact CB-CB 3.74Å; Q404-C690 HydrophobicContact CG-CB 4.16Å
405	I	83.3	Confident	69.4	Low	84 Å²	84	84.6 Å²	84.6	43%	0.431	48%	0.479	S	S	.	.			trans	-77.1	113.2	178.3	-69	164	0	0	0	109.7	Q403 K407	Q403-I405 VanDerWaalsContact C-N 3.34Å; Q403-I405 WeakPolarHBondContact O-CG1 3.31Å; Q403-I405 PolarHBondContact O-N 2.81Å; I405-K407 HydrophobicContact CG2-CG 4.38Å
406	F	89.3	Confident	71.9	Confident	4 Å²	4	89.9 Å²	89.9	2%	0.018	49%	0.489	C	S	.	.			trans	-68.9	132.6	177.7	-77.7	-96.8	0	0	0	111.4	I628 K635 F637 Q657 L659 L676 W688 T689	F406-I628 HydrophobicContact CE1-CD1 4.45Å; F406-I628 HydrophobicContact CZ-CD1 4.05Å; F406-K635 HydrophobicContact CE2-CD 4.22Å; F406-F637 HydrophobicContact CD1-CE1 4.41Å; F406-F637 AromaticContact CD2-CE1 3.98Å; F406-F637 HydrophobicContact CD2-CE1 3.98Å; F406-F637 HydrophobicContact CD2-CZ 4.3Å; F406-F637 HydrophobicContact CE1-CE1 4.23Å; F406-F637 HydrophobicContact CE1-CZ 4.17Å; F406-F637 AromaticContact CE2-CE1 3.79Å; F406-F637 HydrophobicContact CE2-CE1 3.79Å; F406-F637 AromaticContact CE2-CZ 3.63Å; F406-F637 HydrophobicContact CE2-CZ 3.63Å; F406-F637 HydrophobicContact CG-CE1 4.3Å; F406-F637 AromaticContact CZ-CE1 3.93Å; F406-F637 HydrophobicContact CZ-CE1 3.93Å; F406-F637 AromaticContact CZ-CZ 3.56Å; F406-F637 HydrophobicContact CZ-CZ 3.56Å; F406-Q657 PolarHBondContact O-NE2 3.42Å; F406-L659 HydrophobicContact CB-CD1 4.14Å; F406-L659 HydrophobicContact CB-CD2 4.12Å; F406-L659 WeakPolarHBondContact O-CD2 2.99Å; F406-L676 HydrophobicContact CE1-CB 4.43Å; F406-W688 HydrophobicContact CD1-CB 4.17Å; F406-T689 CarbonylContact C-O 3.57Å; F406-T689 WeakPolarHBondContact CA-O 3.32Å
407	K	89.8	Confident	74.5	Confident	118 Å²	118	84.4 Å²	84.4	51%	0.513	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.3	179	-66.8	168.3	-172	166.6	0	108.9	I405 K409 W688 T689	I405-K407 HydrophobicContact CG2-CG 4.38Å; K407-K409 PolarHBondContact O-N 3.15Å; K407-W688 WeakPolarHBondContact O-CA 3.42Å; K407-T689 PolarHBondContact N-O 3.04Å; K407-T689 PolarHBondContact O-N 2.76Å; K407-T689 VanDerWaalsContact O-N 3.17Å
408	C	92.3	Very high	77.2	Confident	43 Å²	43	77.5 Å²	77.5	29%	0.291	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	116.9	172.8	-178.2	0	0	0	0	108.6	G410 R661 V687 W688	C408-G410 PolarHBondContact SG-O 3.4Å; C408-R661 HydrophobicContact CB-CG 4.01Å; C408-V687 CarbonylContact C-O 3.56Å; C408-V687 WeakPolarHBondContact CA-O 3.2Å; C408-W688 HydrophobicContact CB-CD2 4.2Å; C408-W688 HydrophobicContact CB-CE3 3.69Å; C408-W688 HydrophobicContact CB-CH2 4.3Å; C408-W688 HydrophobicContact CB-CZ3 3.74Å
409	K	90.4	Very high	80.1	Confident	127 Å²	127	75 Å²	75	55%	0.552	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	-23.9	178.1	-58	-67.7	-169.6	176.5	0	112.4	K407 V687 T689 C690	K407-K409 PolarHBondContact O-N 3.15Å; K409-V687 PolarHBondContact N-O 3.25Å; K409-T689 WeakPolarHBondContact CE-OG1 3.44Å; K409-T689 HydrophobicContact CG-CG2 4.06Å; K409-C690 WeakPolarHBondContact CE-O 3.26Å; K409-C690 PolarHBondContact NZ-O 3.45Å
410	G	89.9	Confident	83.1	Confident	28 Å²	28	73 Å²	73	29%	0.289	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	166.9	-175.8	0	0	0	0	0	113.8	C408 V687	C408-G410 PolarHBondContact SG-O 3.4Å; G410-V687 PolarHBondContact O-N 3.14Å
411	T	94.3	Very high	86.2	Confident	61 Å²	61	64.6 Å²	64.6	37%	0.374	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	122.2	174.7	-64.8	0	0	0	0	109	V413 T684 V685 K686	T411-V413 HydrophobicContact CG2-CG2 3.82Å; T411-T684 HydrophobicContact CG2-CG2 3.93Å; T411-V685 CarbonylContact C-O 3.57Å; T411-V685 WeakPolarHBondContact CA-O 3.24Å; T411-K686 HydrophobicContact CG2-CG 4.16Å; T411-K686 VanDerWaalsContact CG2-NZ 3.32Å; T411-K686 PolarHBondContact OG1-NZ 3.24Å
412	F	95.5	Very high	89	Confident	11 Å²	11	60.6 Å²	60.6	5%	0.048	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.6	166.1	-58.3	-51.5	0	0	0	109.6	L431 W443 Y449 F677 T684 V685 V687	F412-L431 HydrophobicContact CD2-CD2 4.2Å; F412-L431 HydrophobicContact CE2-CD2 3.98Å; F412-W443 HydrophobicContact CB-CD2 3.89Å; F412-W443 HydrophobicContact CB-CE3 3.63Å; F412-W443 HydrophobicContact CB-CH2 4.04Å; F412-W443 HydrophobicContact CB-CZ2 4.26Å; F412-W443 HydrophobicContact CB-CZ3 3.71Å; F412-W443 HydrophobicContact CD1-CD2 4.37Å; F412-W443 AromaticContact CD1-CE3 3.83Å; F412-W443 HydrophobicContact CD1-CE3 3.83Å; F412-W443 HydrophobicContact CD1-CZ3 4.45Å; F412-W443 HydrophobicContact CD2-CB 4.36Å; F412-W443 HydrophobicContact CD2-CD2 4.31Å; F412-W443 HydrophobicContact CD2-CG 4.21Å; F412-W443 HydrophobicContact CE2-CB 4.23Å; F412-W443 AromaticContact CG-CD2 3.96Å; F412-W443 HydrophobicContact CG-CD2 3.96Å; F412-W443 AromaticContact CG-CE3 3.77Å; F412-W443 HydrophobicContact CG-CE3 3.77Å; F412-W443 HydrophobicContact CG-CG 4.3Å; F412-W443 HydrophobicContact CG-CZ3 4.33Å; F412-W443 HydrophobicContact CZ-CB 4.33Å; F412-Y449 HydrophobicContact CE1-CD1 4.17Å; F412-Y449 WeakPolarHBondContact CE1-O 3.36Å; F412-Y449 HydrophobicContact CZ-CD1 4.22Å; F412-F677 HydrophobicContact CE2-CD1 4.28Å; F412-F677 HydrophobicContact CE2-CE1 4.19Å; F412-T684 WeakPolarHBondContact O-CA 3.4Å; F412-V685 HydrophobicContact CB-CB 4.24Å; F412-V685 HydrophobicContact CD2-CB 4.21Å; F412-V685 HydrophobicContact CD2-CG1 4.25Å; F412-V685 PolarHBondContact N-O 3.38Å; F412-V685 PolarHBondContact O-N 3.18Å; F412-V687 HydrophobicContact CD2-CG2 4.09Å; F412-V687 HydrophobicContact CE2-CG2 3.56Å; F412-V687 HydrophobicContact CZ-CG2 3.88Å
413	V	94.4	Very high	91.3	Very high	104 Å²	104	56.5 Å²	56.5	63%	0.63	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.2	-177.5	-175.4	0	0	0	0	108.5	T411 W443 T684	T411-V413 HydrophobicContact CG2-CG2 3.82Å; V413-W443 WeakPolarHBondContact O-CH2 3.5Å; V413-T684 HydrophobicContact CG2-CG2 4.16Å
414	G	93.3	Very high	93.1	Very high	29 Å²	29	50.8 Å²	50.8	30%	0.299	27%	0.273	S	S	.	.			trans	151.8	-14.5	175.2	0	0	0	0	0	115.6	Q416 K441	G414-Q416 PolarHBondContact O-NE2 2.72Å; G414-K441 VanDerWaalsContact O-CE 3.27Å; G414-K441 WeakPolarHBondContact O-CE 3.29Å
415	H	97.8	Very high	94.5	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.046	26%	0.261	C	S	.	.			trans	-66.5	147	164.8	-84.5	-65.3	0	0	0	110.8	V419 S433 S435 D437 K441	H415-V419 HydrophobicContact CB-CG2 4.3Å; H415-S433 PolarHBondContact CD2-OG 2.99Å; H415-S433 PolarHBondContact CE1-O 3.26Å; H415-S433 PolarHBondContact NE2-O 3.19Å; H415-S433 PolarHBondContact NE2-OG 3.07Å; H415-S435 WeakPolarHBondContact CE1-CB 3.32Å; H415-S435 WeakPolarHBondContact ND1-CB 3.5Å; H415-D437 VanDerWaalsContact CA-OD2 3.25Å; H415-D437 WeakPolarHBondContact CA-OD2 3.48Å; H415-D437 WeakPolarHBondContact CB-OD2 3.37Å; H415-D437 IonicContact CE1-OD1 3.27Å; H415-D437 IonicContact CE1-OD2 2.72Å; H415-D437 IonicContact CG-OD2 3.39Å; H415-D437 IonicContact ND1-OD1 3.47Å; H415-D437 PolarHBondContact ND1-OD1 3.44Å; H415-D437 IonicContact ND1-OD2 2.64Å; H415-D437 PolarHBondContact ND1-OD2 2.85Å; H415-K441 WeakPolarHBondContact ND1-CE 3.35Å
416	Q	97.7	Very high	94.2	Very high	164 Å²	164	48 Å²	48	77%	0.766	26%	0.264	S	S	*	.	S	Bend	trans	-98.9	10.1	178.5	-54.2	-55.2	-60.9	0	0	112.3	G414 D437	G414-Q416 PolarHBondContact O-NE2 2.72Å; Q416-D437 HydrophobicContact CB-CB 4.02Å; Q416-D437 PolarHBondContact N-OD2 3.26Å
417	G	97.9	Very high	93.9	Very high	7 Å²	7	52.9 Å²	52.9	7%	0.072	29%	0.294	C	S	.	.	S	Bend	trans	-167.4	170.4	174.7	0	0	0	0	0	113.4	V419 S435 S683	G417-V419 PolarHBondContact O-N 2.72Å; G417-S435 PolarHBondContact O-OG 3.46Å; G417-S683 WeakPolarHBondContact CA-OG 3.41Å; G417-S683 PolarHBondContact N-OG 3.43Å; G417-S683 PolarHBondContact O-OG 3.45Å
418	P	98.6	Very high	92.9	Very high	32 Å²	32	49 Å²	49	21%	0.208	29%	0.287	C	S	.	.			trans	-35.6	129.5	175.8	-36.9	35	0	0	0	116	W420 S435 S436 V681	P418-W420 VanDerWaalsContact O-CD1 3.29Å; P418-S435 CarbonylContact O-C 3.57Å; P418-S435 VanDerWaalsContact O-CA 3.23Å; P418-S435 WeakPolarHBondContact O-CA 3.44Å; P418-S435 WeakPolarHBondContact O-CB 3.5Å; P418-S435 PolarHBondContact O-OG 2.87Å; P418-S435 VanDerWaalsContact O-OG 3.07Å; P418-S436 VanDerWaalsContact CD-OG 3.25Å; P418-S436 WeakPolarHBondContact CD-OG 3.34Å; P418-S436 PolarHBondContact O-N 3.45Å; P418-V681 HydrophobicContact CB-CG2 4.35Å; P418-V681 HydrophobicContact CG-CB 4.34Å; P418-V681 HydrophobicContact CG-CG1 4.06Å; P418-V681 HydrophobicContact CG-CG2 4.48Å
419	V	98.8	Very high	92.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	112.1	176.6	-179.2	0	0	0	0	109.5	H415 G417 L422 G434 T667 A680 V685	H415-V419 HydrophobicContact CB-CG2 4.3Å; G417-V419 PolarHBondContact O-N 2.72Å; V419-L422 HydrophobicContact CG1-CD2 4.02Å; V419-G434 CarbonylContact C-O 3.58Å; V419-T667 PolarHBondContact O-OG1 2.84Å; V419-A680 PolarHBondContact N-O 3.16Å; V419-V685 HydrophobicContact CB-CG2 4.43Å; V419-V685 HydrophobicContact CG1-CG2 3.99Å; V419-V685 HydrophobicContact CG2-CG2 4.05Å
420	W	98.6	Very high	92.7	Very high	80 Å²	80	43 Å²	43	30%	0.303	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-22.1	-171.8	-75	98.7	0	0	0	114.5	P418 G434 I461 L463 T667	P418-W420 VanDerWaalsContact O-CD1 3.29Å; W420-G434 PolarHBondContact N-O 3.39Å; W420-I461 HydrophobicContact CG-CG2 3.98Å; W420-L463 HydrophobicContact CB-CD2 4.31Å; W420-L463 HydrophobicContact CD2-CD2 4.39Å; W420-L463 HydrophobicContact CG-CD2 4.22Å; W420-T667 HydrophobicContact CE3-CG2 3.91Å; W420-T667 HydrophobicContact CH2-CG2 4.09Å; W420-T667 HydrophobicContact CZ3-CG2 3.62Å
421	C	98.4	Very high	93.1	Very high	11 Å²	11	41.7 Å²	41.7	7%	0.074	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	151.7	179.6	52.9	0	0	0	0	112.4	S433 G434 V462 L463 L465	C421-S433 WeakPolarHBondContact O-CA 3.49Å; C421-G434 PolarHBondContact N-O 3.43Å; C421-G434 PolarHBondContact O-N 3.38Å; C421-V462 PolarHBondContact SG-O 3.31Å; C421-V462 VanDerWaalsContact SG-O 3.33Å; C421-L463 WeakPolarHBondContact CB-O 3.39Å; C421-L463 VanDerWaalsContact SG-C 3.57Å; C421-L465 HydrophobicContact CB-CG 4.49Å
422	L	98.4	Very high	93.3	Very high	17 Å²	17	38.8 Å²	38.8	9%	0.089	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.7	175.9	-67.7	-177.1	0	0	0	109.7	V419 L431 F432 S433 A668 A670 F677 V685	V419-L422 HydrophobicContact CG1-CD2 4.02Å; L422-L431 HydrophobicContact CB-CD1 4.25Å; L422-L431 HydrophobicContact CD2-CD1 4.26Å; L422-L431 HydrophobicContact CD2-CD2 4.47Å; L422-F432 CarbonylContact C-O 3.54Å; L422-F432 WeakPolarHBondContact CA-O 3.39Å; L422-S433 VanDerWaalsContact CD2-CB 3.45Å; L422-A668 HydrophobicContact CB-CB 4.4Å; L422-A668 HydrophobicContact CD1-CB 4.4Å; L422-A668 HydrophobicContact CG-CB 3.88Å; L422-A670 HydrophobicContact CB-CB 3.65Å; L422-A670 HydrophobicContact CD1-CB 4.29Å; L422-F677 HydrophobicContact CD1-CB 3.92Å; L422-F677 WeakPolarHBondContact CD1-O 3.28Å; L422-V685 HydrophobicContact CD1-CG1 4.07Å; L422-V685 HydrophobicContact CD2-CG1 3.98Å; L422-V685 HydrophobicContact CD2-CG2 3.99Å
423	C	97.1	Very high	93.4	Very high	22 Å²	22	38.3 Å²	38.3	15%	0.149	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	139.4	170.8	-161.4	0	0	0	0	110.4	F432 L465 I467	C423-F432 PolarHBondContact N-O 2.83Å; C423-F432 PolarHBondContact O-N 3.25Å; C423-L465 HydrophobicContact CB-CB 3.68Å; C423-I467 HydrophobicContact CB-CD1 4.42Å
424	V	94.8	Very high	93.6	Very high	26 Å²	26	33.3 Å²	33.3	16%	0.158	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.6	-177.1	-179.6	0	0	0	0	111.4	S426 L431 A670 S672 F677	V424-S426 PolarHBondContact O-N 3.43Å; V424-L431 HydrophobicContact CG2-CD1 3.51Å; V424-A670 HydrophobicContact CG2-CB 3.95Å; V424-S672 VanDerWaalsContact CG1-CB 3.49Å; V424-F677 HydrophobicContact CG2-CD2 4.26Å; V424-F677 HydrophobicContact CG2-CE2 4.45Å
425	Y	93.6	Very high	93.9	Very high	44 Å²	44	32 Å²	32	17%	0.173	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	90.1	168.4	-172.1	-125	0	0	0	109.7	T427 G428 D429 L430 I467 G469 I486	Y425-T427 WeakPolarHBondContact CE1-OG1 3.28Å; Y425-T427 WeakPolarHBondContact CE2-OG1 3.09Å; Y425-T427 PolarHBondContact O-N 2.93Å; Y425-T427 PolarHBondContact OH-OG1 2.81Å; Y425-G428 PolarHBondContact O-N 3.02Å; Y425-D429 PolarHBondContact O-N 3.08Å; Y425-L430 PolarHBondContact N-O 3.08Å; Y425-L430 PolarHBondContact O-N 3.22Å; Y425-I467 HydrophobicContact CD2-CD1 4.46Å; Y425-I467 HydrophobicContact CD2-CG2 4.07Å; Y425-G469 WeakPolarHBondContact CE2-O 3.25Å; Y425-I486 HydrophobicContact CD1-CG2 3.63Å; Y425-I486 HydrophobicContact CD2-CD1 3.92Å; Y425-I486 HydrophobicContact CD2-CG2 4.28Å; Y425-I486 HydrophobicContact CE1-CG2 3.58Å; Y425-I486 HydrophobicContact CE2-CD1 4.07Å; Y425-I486 HydrophobicContact CE2-CG2 4.22Å; Y425-I486 HydrophobicContact CG-CD1 4.41Å; Y425-I486 HydrophobicContact CG-CG2 3.99Å
426	S	78.1	Confident	93.9	Very high	70 Å²	70	33.2 Å²	33.2	49%	0.49	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.1	-170.2	56.1	0	0	0	0	115.2	V424 R673	V424-S426 PolarHBondContact O-N 3.43Å; S426-R673 PolarHBondContact O-NH2 2.9Å
427	T	81.4	Confident	94	Very high	106 Å²	106	27 Å²	27	65%	0.65	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-29.7	177.1	45.2	0	0	0	0	113.7	Y425	Y425-T427 WeakPolarHBondContact CE1-OG1 3.28Å; Y425-T427 WeakPolarHBondContact CE2-OG1 3.09Å; Y425-T427 PolarHBondContact O-N 2.93Å; Y425-T427 PolarHBondContact OH-OG1 2.81Å
428	G	69.6	Low	94	Very high	36 Å²	36	31.4 Å²	31.4	37%	0.371	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	4.9	179.4	0	0	0	0	0	114.9	Y425 L430	Y425-G428 PolarHBondContact O-N 3.02Å; G428-L430 PolarHBondContact O-N 3.21Å; G428-L430 VanDerWaalsContact O-N 3.15Å
429	D	85.6	Confident	94	Very high	28 Å²	28	30.8 Å²	30.8	15%	0.15	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	23.9	-178.4	-78.5	-57.1	0	0	0	115.7	Y425 T445 C446 R673 R675	Y425-D429 PolarHBondContact O-N 3.08Å; D429-T445 WeakPolarHBondContact O-CB 3.29Å; D429-T445 PolarHBondContact O-N 3.35Å; D429-T445 PolarHBondContact O-OG1 3.36Å; D429-C446 HydrophobicContact CB-CB 3.89Å; D429-C446 PolarHBondContact OD1-SG 3.08Å; D429-R673 VanDerWaalsContact CG-CZ 3.42Å; D429-R673 IonicContact OD1-CZ 3.83Å; D429-R673 IonicContact OD1-NE 3.69Å; D429-R673 IonicContact OD1-NH1 3.11Å; D429-R673 PolarHBondContact OD1-NH1 3.28Å; D429-R673 IonicContact OD1-NH2 3.42Å; D429-R673 PolarHBondContact OD1-NH2 2.71Å; D429-R673 VanDerWaalsContact OD1-NH2 3.14Å; D429-R673 IonicContact OD2-CZ 3.69Å; D429-R673 IonicContact OD2-NH1 3.31Å; D429-R673 PolarHBondContact OD2-NH1 3.45Å; D429-R673 IonicContact OD2-NH2 2.68Å; D429-R673 PolarHBondContact OD2-NH2 3.17Å; D429-R675 IonicContact OD1-NH2 2.71Å
430	L	93.8	Very high	94	Very high	17 Å²	17	30.9 Å²	30.9	9%	0.089	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	137.6	176.5	-53.1	-178.8	0	0	0	111.5	Y425 G428 F432 V442 W443 Q452 I486	Y425-L430 PolarHBondContact N-O 3.08Å; Y425-L430 PolarHBondContact O-N 3.22Å; G428-L430 PolarHBondContact O-N 3.21Å; G428-L430 VanDerWaalsContact O-N 3.15Å; L430-F432 HydrophobicContact CB-CE2 3.93Å; L430-F432 HydrophobicContact CB-CZ 4.35Å; L430-F432 HydrophobicContact CD1-CE2 4.4Å; L430-F432 HydrophobicContact CD1-CZ 4.1Å; L430-V442 HydrophobicContact CB-CG1 4.26Å; L430-V442 HydrophobicContact CD1-CG1 3.93Å; L430-V442 HydrophobicContact CD2-CG1 4.32Å; L430-V442 HydrophobicContact CG-CG1 4.4Å; L430-W443 WeakPolarHBondContact CA-O 3.39Å; L430-Q452 VanDerWaalsContact CD2-OE1 3.25Å; L430-I486 HydrophobicContact CD1-CG2 4.43Å
431	L	97.1	Very high	94	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.8	164.3	173.3	73.2	0	0	0	108.8	F412 L422 V424 W443 T445 A670 F677 V685	F412-L431 HydrophobicContact CD2-CD2 4.2Å; F412-L431 HydrophobicContact CE2-CD2 3.98Å; L422-L431 HydrophobicContact CB-CD1 4.25Å; L422-L431 HydrophobicContact CD2-CD1 4.26Å; L422-L431 HydrophobicContact CD2-CD2 4.47Å; V424-L431 HydrophobicContact CG2-CD1 3.51Å; L431-W443 HydrophobicContact CB-CB 4.34Å; L431-W443 PolarHBondContact N-O 3.38Å; L431-W443 PolarHBondContact O-N 2.88Å; L431-T445 HydrophobicContact CB-CG2 3.45Å; L431-T445 VanDerWaalsContact CB-CG2 3.45Å; L431-A670 HydrophobicContact CD1-CB 4.39Å; L431-F677 HydrophobicContact CD1-CB 4.32Å; L431-F677 HydrophobicContact CD1-CG 4.32Å; L431-F677 HydrophobicContact CD2-CB 4.14Å; L431-F677 HydrophobicContact CD2-CD1 3.62Å; L431-F677 HydrophobicContact CD2-CE1 4.24Å; L431-F677 HydrophobicContact CD2-CG 3.98Å; L431-V685 HydrophobicContact CD2-CG1 3.91Å
432	F	98.4	Very high	94	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132	171.2	-64.1	-91.6	0	0	0	109.1	L422 C423 L430 I440 K441 V442 L455 L465 I467 L472 I486 L489	L422-F432 CarbonylContact C-O 3.54Å; L422-F432 WeakPolarHBondContact CA-O 3.39Å; C423-F432 PolarHBondContact N-O 2.83Å; C423-F432 PolarHBondContact O-N 3.25Å; L430-F432 HydrophobicContact CB-CE2 3.93Å; L430-F432 HydrophobicContact CB-CZ 4.35Å; L430-F432 HydrophobicContact CD1-CE2 4.4Å; L430-F432 HydrophobicContact CD1-CZ 4.1Å; F432-I440 HydrophobicContact CB-CG2 4.09Å; F432-I440 HydrophobicContact CD1-CG2 4.09Å; F432-K441 WeakPolarHBondContact CA-O 3.46Å; F432-V442 HydrophobicContact CD1-CB 4.4Å; F432-V442 HydrophobicContact CD1-CG1 4.25Å; F432-V442 HydrophobicContact CD1-CG2 3.77Å; F432-V442 HydrophobicContact CE1-CB 4.21Å; F432-V442 HydrophobicContact CE1-CG1 3.76Å; F432-V442 HydrophobicContact CE1-CG2 3.55Å; F432-V442 HydrophobicContact CZ-CG1 4.04Å; F432-L455 HydrophobicContact CD1-CD1 4.43Å; F432-L455 HydrophobicContact CE1-CD1 4.34Å; F432-L465 HydrophobicContact CB-CD1 4.02Å; F432-I467 HydrophobicContact CD2-CD1 3.92Å; F432-I467 HydrophobicContact CE2-CD1 4.08Å; F432-L472 HydrophobicContact CB-CD1 4.46Å; F432-L472 HydrophobicContact CB-CD2 4.39Å; F432-L472 HydrophobicContact CD1-CD2 3.47Å; F432-L472 VanDerWaalsContact CD1-CD2 3.47Å; F432-L472 HydrophobicContact CD2-CD1 4.48Å; F432-L472 HydrophobicContact CE1-CD2 3.79Å; F432-L472 HydrophobicContact CG-CD1 4.29Å; F432-L472 HydrophobicContact CG-CD2 3.91Å; F432-L472 HydrophobicContact CZ-CD2 4.48Å; F432-I486 HydrophobicContact CZ-CG1 4.33Å; F432-I486 HydrophobicContact CZ-CG2 4.25Å; F432-L489 HydrophobicContact CE1-CD2 4.04Å; F432-L489 HydrophobicContact CZ-CD2 4.14Å
433	S	98.7	Very high	93.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.8	174.5	61.8	0	0	0	0	111.3	H415 C421 L422 I440 K441 W443	H415-S433 PolarHBondContact CD2-OG 2.99Å; H415-S433 PolarHBondContact CE1-O 3.26Å; H415-S433 PolarHBondContact NE2-O 3.19Å; H415-S433 PolarHBondContact NE2-OG 3.07Å; C421-S433 WeakPolarHBondContact O-CA 3.49Å; L422-S433 VanDerWaalsContact CD2-CB 3.45Å; S433-I440 CarbonylContact O-C 3.55Å; S433-I440 VanDerWaalsContact O-CA 3.24Å; S433-I440 WeakPolarHBondContact O-CA 3.3Å; S433-K441 PolarHBondContact N-O 2.84Å; S433-K441 PolarHBondContact O-N 2.94Å; S433-W443 PolarHBondContact OG-NE1 2.99Å
434	G	98.8	Very high	93.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140.3	176.7	0	0	0	0	0	111.2	V419 W420 C421	V419-G434 CarbonylContact C-O 3.58Å; W420-G434 PolarHBondContact N-O 3.39Å; C421-G434 PolarHBondContact N-O 3.43Å; C421-G434 PolarHBondContact O-N 3.38Å
435	S	98.8	Very high	93.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	164.8	-171.2	170.2	0	0	0	0	113.3	H415 G417 P418 D437 K438 T439 V462	H415-S435 WeakPolarHBondContact CE1-CB 3.32Å; H415-S435 WeakPolarHBondContact ND1-CB 3.5Å; G417-S435 PolarHBondContact O-OG 3.46Å; P418-S435 CarbonylContact O-C 3.57Å; P418-S435 VanDerWaalsContact O-CA 3.23Å; P418-S435 WeakPolarHBondContact O-CA 3.44Å; P418-S435 WeakPolarHBondContact O-CB 3.5Å; P418-S435 PolarHBondContact O-OG 2.87Å; P418-S435 VanDerWaalsContact O-OG 3.07Å; S435-D437 WeakPolarHBondContact CB-OD1 3.03Å; S435-D437 PolarHBondContact O-N 2.9Å; S435-D437 VanDerWaalsContact OG-CG 3.32Å; S435-D437 PolarHBondContact OG-N 3.15Å; S435-D437 PolarHBondContact OG-OD1 2.82Å; S435-K438 PolarHBondContact O-N 3.38Å; S435-T439 PolarHBondContact N-O 3.39Å; S435-V462 PolarHBondContact O-N 3.16Å
436	S	98.7	Very high	92.9	Very high	37 Å²	37	25 Å²	25	26%	0.259	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-7.9	165.2	60.5	0	0	0	0	114.4	P418 K438	P418-S436 VanDerWaalsContact CD-OG 3.25Å; P418-S436 WeakPolarHBondContact CD-OG 3.34Å; P418-S436 PolarHBondContact O-N 3.45Å; S436-K438 PolarHBondContact O-N 3.06Å
437	D	98.5	Very high	93.1	Very high	34 Å²	34	27.3 Å²	27.3	18%	0.182	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	5.9	164.2	73.6	16.5	0	0	0	113.6	H415 Q416 S435 T439	H415-D437 VanDerWaalsContact CA-OD2 3.25Å; H415-D437 WeakPolarHBondContact CA-OD2 3.48Å; H415-D437 WeakPolarHBondContact CB-OD2 3.37Å; H415-D437 IonicContact CE1-OD1 3.27Å; H415-D437 IonicContact CE1-OD2 2.72Å; H415-D437 IonicContact CG-OD2 3.39Å; H415-D437 IonicContact ND1-OD1 3.47Å; H415-D437 PolarHBondContact ND1-OD1 3.44Å; H415-D437 IonicContact ND1-OD2 2.64Å; H415-D437 PolarHBondContact ND1-OD2 2.85Å; Q416-D437 HydrophobicContact CB-CB 4.02Å; Q416-D437 PolarHBondContact N-OD2 3.26Å; S435-D437 WeakPolarHBondContact CB-OD1 3.03Å; S435-D437 PolarHBondContact O-N 2.9Å; S435-D437 VanDerWaalsContact OG-CG 3.32Å; S435-D437 PolarHBondContact OG-N 3.15Å; S435-D437 PolarHBondContact OG-OD1 2.82Å; D437-T439 PolarHBondContact O-N 3.39Å; D437-T439 WeakPolarHBondContact OD1-CA 3.38Å; D437-T439 WeakPolarHBondContact OD1-CB 3.43Å; D437-T439 PolarHBondContact OD1-N 2.85Å; D437-T439 PolarHBondContact OD1-OG1 3.29Å
438	K	98.6	Very high	93.2	Very high	99 Å²	99	25.6 Å²	25.6	43%	0.43	15%	0.152	S	C	.	.	S	Bend	trans	68.4	0.5	-179.6	-42.5	-179.5	179.9	-162.5	0	115.1	S435 S436 D459 G460	S435-K438 PolarHBondContact O-N 3.38Å; S436-K438 PolarHBondContact O-N 3.06Å; K438-D459 WeakPolarHBondContact CD-O 3.22Å; K438-D459 WeakPolarHBondContact CE-O 3.09Å; K438-D459 PolarHBondContact NZ-O 3.07Å; K438-G460 WeakPolarHBondContact CA-O 3.48Å; K438-G460 WeakPolarHBondContact CB-O 3.36Å
439	T	98.6	Very high	94	Very high	19 Å²	19	29.8 Å²	29.8	12%	0.117	16%	0.158	C	C	.	.			trans	-99.6	161.5	-179.2	77.5	0	0	0	0	112.5	S435 D437 T454 L455 E456	S435-T439 PolarHBondContact N-O 3.39Å; D437-T439 PolarHBondContact O-N 3.39Å; D437-T439 WeakPolarHBondContact OD1-CA 3.38Å; D437-T439 WeakPolarHBondContact OD1-CB 3.43Å; D437-T439 PolarHBondContact OD1-N 2.85Å; D437-T439 PolarHBondContact OD1-OG1 3.29Å; T439-T454 VanDerWaalsContact CB-CG2 3.45Å; T439-T454 HydrophobicContact CG2-CG2 3.74Å; T439-L455 WeakPolarHBondContact CA-O 3.31Å; T439-E456 HydrophobicContact CG2-CG 4.08Å
440	I	98.9	Very high	94.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.6	163.5	-54	160.2	0	0	0	107.4	F432 S433 T454 L455 V462 L465 L472 W484	F432-I440 HydrophobicContact CB-CG2 4.09Å; F432-I440 HydrophobicContact CD1-CG2 4.09Å; S433-I440 CarbonylContact O-C 3.55Å; S433-I440 VanDerWaalsContact O-CA 3.24Å; S433-I440 WeakPolarHBondContact O-CA 3.3Å; I440-T454 CarbonylContact O-C 3.5Å; I440-T454 WeakPolarHBondContact O-CA 3.16Å; I440-L455 HydrophobicContact CB-CB 4.12Å; I440-L455 HydrophobicContact CB-CD1 4.15Å; I440-L455 HydrophobicContact CB-CG 4.28Å; I440-L455 HydrophobicContact CD1-CD1 4.38Å; I440-L455 HydrophobicContact CG2-CD1 4.21Å; I440-L455 PolarHBondContact N-O 2.82Å; I440-L455 PolarHBondContact O-N 2.68Å; I440-V462 HydrophobicContact CD1-CG1 4.46Å; I440-V462 HydrophobicContact CG1-CG1 4.06Å; I440-V462 HydrophobicContact CG1-CG2 4.24Å; I440-L465 HydrophobicContact CD1-CD2 3.81Å; I440-L465 HydrophobicContact CG1-CD2 4.11Å; I440-L465 HydrophobicContact CG2-CD1 4.21Å; I440-L465 HydrophobicContact CG2-CD2 4.21Å; I440-L472 HydrophobicContact CD1-CD2 4.46Å; I440-L472 HydrophobicContact CG2-CD2 4.47Å; I440-W484 HydrophobicContact CD1-CZ2 3.91Å
441	K	98.5	Very high	94.3	Very high	24 Å²	24	37 Å²	37	10%	0.104	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136.4	174	-68.6	-179.8	-165.8	-70.1	0	110.8	G414 H415 F432 S433 W443 T454	G414-K441 VanDerWaalsContact O-CE 3.27Å; G414-K441 WeakPolarHBondContact O-CE 3.29Å; H415-K441 WeakPolarHBondContact ND1-CE 3.35Å; F432-K441 WeakPolarHBondContact CA-O 3.46Å; S433-K441 PolarHBondContact N-O 2.84Å; S433-K441 PolarHBondContact O-N 2.94Å; K441-W443 HydrophobicContact CB-CZ2 3.68Å; K441-W443 HydrophobicContact CD-CH2 4.29Å; K441-W443 HydrophobicContact CD-CZ2 3.88Å; K441-W443 HydrophobicContact CG-CZ2 4.38Å; K441-T454 HydrophobicContact CG-CG2 4.16Å; K441-T454 PolarHBondContact NZ-OG1 3.47Å
442	V	98	Very high	94.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.8	-179.7	-167.9	0	0	0	0	107.4	L430 F432 C451 Q452 K453 L455 L489	L430-V442 HydrophobicContact CB-CG1 4.26Å; L430-V442 HydrophobicContact CD1-CG1 3.93Å; L430-V442 HydrophobicContact CD2-CG1 4.32Å; L430-V442 HydrophobicContact CG-CG1 4.4Å; F432-V442 HydrophobicContact CD1-CB 4.4Å; F432-V442 HydrophobicContact CD1-CG1 4.25Å; F432-V442 HydrophobicContact CD1-CG2 3.77Å; F432-V442 HydrophobicContact CE1-CB 4.21Å; F432-V442 HydrophobicContact CE1-CG1 3.76Å; F432-V442 HydrophobicContact CE1-CG2 3.55Å; F432-V442 HydrophobicContact CZ-CG1 4.04Å; V442-C451 CarbonylContact O-C 3.57Å; V442-C451 WeakPolarHBondContact O-CA 3.32Å; V442-Q452 PolarHBondContact O-N 3.34Å; V442-K453 HydrophobicContact CB-CB 4.2Å; V442-K453 HydrophobicContact CG2-CB 4.04Å; V442-K453 PolarHBondContact N-O 3.25Å; V442-L455 HydrophobicContact CG2-CD1 4.17Å; V442-L455 HydrophobicContact CG2-CD2 4.03Å; V442-L455 HydrophobicContact CG2-CG 3.95Å; V442-L489 HydrophobicContact CG1-CD1 4.23Å; V442-L489 HydrophobicContact CG1-CD2 4.35Å; V442-L489 HydrophobicContact CG2-CD1 4.36Å; V442-L489 HydrophobicContact CG2-CD2 4.27Å
443	W	96.5	Very high	94.1	Very high	7 Å²	7	46.3 Å²	46.3	3%	0.027	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.3	-177.9	-48.5	89	0	0	0	110.2	F412 V413 L430 L431 S433 K441 T445 K450 C451	F412-W443 HydrophobicContact CB-CD2 3.89Å; F412-W443 HydrophobicContact CB-CE3 3.63Å; F412-W443 HydrophobicContact CB-CH2 4.04Å; F412-W443 HydrophobicContact CB-CZ2 4.26Å; F412-W443 HydrophobicContact CB-CZ3 3.71Å; F412-W443 HydrophobicContact CD1-CD2 4.37Å; F412-W443 AromaticContact CD1-CE3 3.83Å; F412-W443 HydrophobicContact CD1-CE3 3.83Å; F412-W443 HydrophobicContact CD1-CZ3 4.45Å; F412-W443 HydrophobicContact CD2-CB 4.36Å; F412-W443 HydrophobicContact CD2-CD2 4.31Å; F412-W443 HydrophobicContact CD2-CG 4.21Å; F412-W443 HydrophobicContact CE2-CB 4.23Å; F412-W443 AromaticContact CG-CD2 3.96Å; F412-W443 HydrophobicContact CG-CD2 3.96Å; F412-W443 AromaticContact CG-CE3 3.77Å; F412-W443 HydrophobicContact CG-CE3 3.77Å; F412-W443 HydrophobicContact CG-CG 4.3Å; F412-W443 HydrophobicContact CG-CZ3 4.33Å; F412-W443 HydrophobicContact CZ-CB 4.33Å; V413-W443 WeakPolarHBondContact O-CH2 3.5Å; L430-W443 WeakPolarHBondContact CA-O 3.39Å; L431-W443 HydrophobicContact CB-CB 4.34Å; L431-W443 PolarHBondContact N-O 3.38Å; L431-W443 PolarHBondContact O-N 2.88Å; S433-W443 PolarHBondContact OG-NE1 2.99Å; K441-W443 HydrophobicContact CB-CZ2 3.68Å; K441-W443 HydrophobicContact CD-CH2 4.29Å; K441-W443 HydrophobicContact CD-CZ2 3.88Å; K441-W443 HydrophobicContact CG-CZ2 4.38Å; W443-T445 PolarHBondContact O-N 3.14Å; W443-K450 WeakPolarHBondContact CA-O 3.46Å; W443-C451 HydrophobicContact CD2-CB 4.41Å; W443-C451 HydrophobicContact CE3-CB 3.74Å; W443-C451 HydrophobicContact CH2-CB 4.09Å; W443-C451 HydrophobicContact CZ3-CB 3.57Å
444	D	91.7	Very high	94.1	Very high	6 Å²	6	48 Å²	48	3%	0.032	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	124.9	162.2	-173.9	-26.5	0	0	0	109.1	C446 T447 T448 Y449 K450 Q452	D444-C446 PolarHBondContact OD1-N 3.13Å; D444-T447 PolarHBondContact OD1-N 3.15Å; D444-T447 PolarHBondContact OD2-OG1 2.76Å; D444-T448 WeakPolarHBondContact CB-OG1 3.39Å; D444-T448 VanDerWaalsContact CG-N 3.31Å; D444-T448 VanDerWaalsContact CG-OG1 3.25Å; D444-T448 WeakPolarHBondContact OD2-CB 3.36Å; D444-T448 PolarHBondContact OD2-N 2.79Å; D444-T448 PolarHBondContact OD2-OG1 2.82Å; D444-Y449 WeakPolarHBondContact O-CA 3.09Å; D444-K450 PolarHBondContact N-O 3.15Å; D444-Q452 HydrophobicContact CB-CG 4.12Å
445	T	89.3	Confident	94.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-100.7	-2.2	177.8	69.4	0	0	0	0	114.4	D429 L431 W443 Y449 R675 F677	D429-T445 WeakPolarHBondContact O-CB 3.29Å; D429-T445 PolarHBondContact O-N 3.35Å; D429-T445 PolarHBondContact O-OG1 3.36Å; L431-T445 HydrophobicContact CB-CG2 3.45Å; L431-T445 VanDerWaalsContact CB-CG2 3.45Å; W443-T445 PolarHBondContact O-N 3.14Å; T445-Y449 WeakPolarHBondContact O-CE1 3.45Å; T445-Y449 VanDerWaalsContact O-CZ 3.28Å; T445-Y449 PolarHBondContact O-OH 2.61Å; T445-R675 PolarHBondContact O-NH1 3.21Å; T445-R675 PolarHBondContact OG1-NH2 3.07Å; T445-F677 HydrophobicContact CG2-CE1 3.79Å; T445-F677 HydrophobicContact CG2-CZ 3.79Å
446	C	83.3	Confident	94	Very high	41 Å²	41	55 Å²	55	28%	0.277	28%	0.278	S	S	.	.	S	Bend	trans	-131	-37.8	-169.9	-80.8	0	0	0	0	115.3	D429 D444 Y449 R675	D429-C446 HydrophobicContact CB-CB 3.89Å; D429-C446 PolarHBondContact OD1-SG 3.08Å; D444-C446 PolarHBondContact OD1-N 3.13Å; C446-Y449 WeakPolarHBondContact O-CE2 3.15Å; C446-R675 PolarHBondContact SG-NH1 3.09Å; C446-R675 VanDerWaalsContact SG-NH1 3.35Å; C446-R675 PolarHBondContact SG-NH2 3.01Å
447	T	81.9	Confident	93.9	Very high	117 Å²	117	55 Å²	55	72%	0.718	28%	0.284	S	S	*	.	S	Bend	trans	-106.7	-55.3	-172.9	82.8	0	0	0	0	113.1	D444	D444-T447 PolarHBondContact OD1-N 3.15Å; D444-T447 PolarHBondContact OD2-OG1 2.76Å
448	T	84	Confident	93.9	Very high	71 Å²	71	53.8 Å²	53.8	44%	0.436	28%	0.278	S	S	.	.	S	Bend	trans	-103.6	-18.5	-174.2	62.5	0	0	0	0	114.8	D444 K450	D444-T448 WeakPolarHBondContact CB-OG1 3.39Å; D444-T448 VanDerWaalsContact CG-N 3.31Å; D444-T448 VanDerWaalsContact CG-OG1 3.25Å; D444-T448 WeakPolarHBondContact OD2-CB 3.36Å; D444-T448 PolarHBondContact OD2-N 2.79Å; D444-T448 PolarHBondContact OD2-OG1 2.82Å; T448-K450 WeakPolarHBondContact O-CG 3.44Å; T448-K450 PolarHBondContact O-N 3.22Å
449	Y	86.8	Confident	93.9	Very high	123 Å²	123	55.2 Å²	55.2	48%	0.482	29%	0.29	S	S	.	.			trans	51.7	34.6	-175.1	-67.9	-92.1	0	0	0	114.1	F412 D444 T445 C446	F412-Y449 HydrophobicContact CE1-CD1 4.17Å; F412-Y449 WeakPolarHBondContact CE1-O 3.36Å; F412-Y449 HydrophobicContact CZ-CD1 4.22Å; D444-Y449 WeakPolarHBondContact O-CA 3.09Å; T445-Y449 WeakPolarHBondContact O-CE1 3.45Å; T445-Y449 VanDerWaalsContact O-CZ 3.28Å; T445-Y449 PolarHBondContact O-OH 2.61Å; C446-Y449 WeakPolarHBondContact O-CE2 3.15Å
450	K	89.9	Confident	93.9	Very high	145 Å²	145	54.9 Å²	54.9	63%	0.63	29%	0.29	S	S	*	.	S	Bend	trans	-126	161.4	-175.2	-76.1	169.4	-173.4	179.7	0	112.1	W443 D444 T448 Q452	W443-K450 WeakPolarHBondContact CA-O 3.46Å; D444-K450 PolarHBondContact N-O 3.15Å; T448-K450 WeakPolarHBondContact O-CG 3.44Å; T448-K450 PolarHBondContact O-N 3.22Å; K450-Q452 PolarHBondContact O-N 3.28Å
451	C	95.6	Very high	93.9	Very high	53 Å²	53	57.7 Å²	57.7	36%	0.358	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	116.7	165.8	-172.4	0	0	0	0	108.8	V442 W443 K453	V442-C451 CarbonylContact O-C 3.57Å; V442-C451 WeakPolarHBondContact O-CA 3.32Å; W443-C451 HydrophobicContact CD2-CB 4.41Å; W443-C451 HydrophobicContact CE3-CB 3.74Å; W443-C451 HydrophobicContact CH2-CB 4.09Å; W443-C451 HydrophobicContact CZ3-CB 3.57Å; C451-K453 PolarHBondContact SG-O 3.19Å
452	Q	94.3	Very high	93.9	Very high	98 Å²	98	56.5 Å²	56.5	46%	0.458	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-36.3	174.4	-65.8	-176.1	-12	0	0	111.4	L430 V442 D444 K450	L430-Q452 VanDerWaalsContact CD2-OE1 3.25Å; V442-Q452 PolarHBondContact O-N 3.34Å; D444-Q452 HydrophobicContact CB-CG 4.12Å; K450-Q452 PolarHBondContact O-N 3.28Å
453	K	96.6	Very high	93.9	Very high	97 Å²	97	58.2 Å²	58.2	42%	0.422	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	148.2	-175.6	-168.8	63.8	-179.6	179.2	0	111.5	V442 C451 L455 L489	V442-K453 HydrophobicContact CB-CB 4.2Å; V442-K453 HydrophobicContact CG2-CB 4.04Å; V442-K453 PolarHBondContact N-O 3.25Å; C451-K453 PolarHBondContact SG-O 3.19Å; K453-L455 HydrophobicContact CG-CD2 3.79Å; K453-L489 HydrophobicContact CB-CD1 3.75Å; K453-L489 HydrophobicContact CG-CB 4.27Å; K453-L489 HydrophobicContact CG-CD1 4.15Å
454	T	98.3	Very high	94	Very high	35 Å²	35	58.1 Å²	58.1	22%	0.215	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.8	160.5	-58.2	0	0	0	0	107.9	T439 I440 K441 E456	T439-T454 VanDerWaalsContact CB-CG2 3.45Å; T439-T454 HydrophobicContact CG2-CG2 3.74Å; I440-T454 CarbonylContact O-C 3.5Å; I440-T454 WeakPolarHBondContact O-CA 3.16Å; K441-T454 HydrophobicContact CG-CG2 4.16Å; K441-T454 PolarHBondContact NZ-OG1 3.47Å; T454-E456 HydrophobicContact CG2-CG 4.11Å
455	L	98.5	Very high	94.4	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.2	174.7	-41	178.9	0	0	0	108.3	F432 T439 I440 V442 K453 L472 W484 L489	F432-L455 HydrophobicContact CD1-CD1 4.43Å; F432-L455 HydrophobicContact CE1-CD1 4.34Å; T439-L455 WeakPolarHBondContact CA-O 3.31Å; I440-L455 HydrophobicContact CB-CB 4.12Å; I440-L455 HydrophobicContact CB-CD1 4.15Å; I440-L455 HydrophobicContact CB-CG 4.28Å; I440-L455 HydrophobicContact CD1-CD1 4.38Å; I440-L455 HydrophobicContact CG2-CD1 4.21Å; I440-L455 PolarHBondContact N-O 2.82Å; I440-L455 PolarHBondContact O-N 2.68Å; V442-L455 HydrophobicContact CG2-CD1 4.17Å; V442-L455 HydrophobicContact CG2-CD2 4.03Å; V442-L455 HydrophobicContact CG2-CG 3.95Å; K453-L455 HydrophobicContact CG-CD2 3.79Å; L455-L472 HydrophobicContact CD1-CD2 4.16Å; L455-W484 HydrophobicContact CB-CD2 4.42Å; L455-W484 HydrophobicContact CB-CE3 4Å; L455-W484 HydrophobicContact CB-CH2 3.92Å; L455-W484 HydrophobicContact CB-CZ2 4.33Å; L455-W484 HydrophobicContact CB-CZ3 3.74Å; L455-W484 HydrophobicContact CD1-CD2 3.99Å; L455-W484 HydrophobicContact CD1-CE3 4.11Å; L455-W484 HydrophobicContact CD1-CG 4.19Å; L455-W484 HydrophobicContact CG-CE3 4.49Å; L455-L489 HydrophobicContact CD2-CB 3.99Å; L455-L489 WeakPolarHBondContact CD2-O 3.3Å
456	E	98	Very high	94.7	Very high	141 Å²	141	59 Å²	59	66%	0.659	31%	0.314	S	S	*	.			trans	-131.5	143.1	-170.9	-67.3	171.3	-163.7	0	0	109.8	T439 T454 W484	T439-E456 HydrophobicContact CG2-CG 4.08Å; T454-E456 HydrophobicContact CG2-CG 4.11Å; E456-W484 WeakPolarHBondContact O-CH2 3.44Å
457	G	97	Very high	95.3	Very high	37 Å²	37	58.5 Å²	58.5	38%	0.381	31%	0.309	S	S	.	.			trans	141.7	1.8	179.6	0	0	0	0	0	116.5	I482	G457-I482 WeakPolarHBondContact O-CD1 3.44Å
458	H	98.4	Very high	95.9	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.046	29%	0.286	C	S	.	.			trans	-87.6	145	161.8	-88	-60.8	0	0	0	110.2	V462 S474 S476 D478 T480 I482	H458-V462 HydrophobicContact CB-CG2 4.17Å; H458-S474 PolarHBondContact CD2-OG 3.19Å; H458-S474 WeakPolarHBondContact NE2-CB 3.42Å; H458-S474 PolarHBondContact NE2-O 3.22Å; H458-S474 PolarHBondContact NE2-OG 3.15Å; H458-S476 WeakPolarHBondContact CE1-CB 3.37Å; H458-S476 WeakPolarHBondContact ND1-CB 3.46Å; H458-D478 WeakPolarHBondContact CA-OD2 3.19Å; H458-D478 WeakPolarHBondContact CB-OD2 3.42Å; H458-D478 IonicContact CE1-OD1 3.08Å; H458-D478 IonicContact CG-OD2 3.26Å; H458-D478 IonicContact ND1-OD1 2.76Å; H458-D478 PolarHBondContact ND1-OD1 2.9Å; H458-D478 IonicContact ND1-OD2 3.79Å; H458-D478 PolarHBondContact ND1-OD2 3.45Å; H458-T480 PolarHBondContact CE1-OG1 3.03Å; H458-T480 VanDerWaalsContact CE1-OG1 3.28Å; H458-T480 PolarHBondContact ND1-OG1 2.64Å; H458-I482 HydrophobicContact CB-CD1 4.43Å; H458-I482 VanDerWaalsContact CE1-CG1 3.5Å; H458-I482 WeakPolarHBondContact CE1-CG1 3.13Å
459	D	98.1	Very high	96.2	Very high	129 Å²	129	54.8 Å²	54.8	69%	0.69	29%	0.293	S	S	*	.	S	Bend	trans	-96.2	-11.2	176.3	-76.2	-51.9	0	0	0	112.5	K438 D478	K438-D459 WeakPolarHBondContact CD-O 3.22Å; K438-D459 WeakPolarHBondContact CE-O 3.09Å; K438-D459 PolarHBondContact NZ-O 3.07Å; D459-D478 HydrophobicContact CB-CB 4.09Å; D459-D478 PolarHBondContact N-OD2 3.03Å
460	G	98.4	Very high	96.5	Very high	11 Å²	11	50.8 Å²	50.8	11%	0.113	28%	0.28	C	S	.	.	S	Bend	trans	-120.6	-178.8	178.1	0	0	0	0	0	114.2	K438 V462 S476 D478	K438-G460 WeakPolarHBondContact CA-O 3.48Å; K438-G460 WeakPolarHBondContact CB-O 3.36Å; G460-V462 PolarHBondContact O-N 3.42Å; G460-S476 WeakPolarHBondContact CA-OG 3.42Å; G460-S476 PolarHBondContact O-OG 3.47Å; G460-D478 PolarHBondContact N-OD2 2.86Å
461	I	98.7	Very high	96.7	Very high	60 Å²	60	46 Å²	46	31%	0.308	26%	0.259	S	S	.	.			trans	-59.6	128.1	172	-57.8	179.4	0	0	0	109.3	W420 L463 S476 A477	W420-I461 HydrophobicContact CG-CG2 3.98Å; I461-L463 HydrophobicContact CB-CD2 4.39Å; I461-L463 HydrophobicContact CB-CG 4.43Å; I461-L463 HydrophobicContact CG2-CD2 3.64Å; I461-L463 HydrophobicContact CG2-CG 4.03Å; I461-L463 PolarHBondContact O-N 3.49Å; I461-S476 CarbonylContact O-C 3.6Å; I461-S476 WeakPolarHBondContact O-CA 3.49Å; I461-S476 PolarHBondContact O-OG 3.14Å; I461-A477 HydrophobicContact CB-CB 4.07Å; I461-A477 PolarHBondContact O-N 3.07Å
462	V	98.9	Very high	96.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	105.5	172.9	-170.2	0	0	0	0	109.1	C421 S435 I440 H458 G460 L465	C421-V462 PolarHBondContact SG-O 3.31Å; C421-V462 VanDerWaalsContact SG-O 3.33Å; S435-V462 PolarHBondContact O-N 3.16Å; I440-V462 HydrophobicContact CD1-CG1 4.46Å; I440-V462 HydrophobicContact CG1-CG1 4.06Å; I440-V462 HydrophobicContact CG1-CG2 4.24Å; H458-V462 HydrophobicContact CB-CG2 4.17Å; G460-V462 PolarHBondContact O-N 3.42Å; V462-L465 HydrophobicContact CG1-CD2 4.31Å
463	L	98.8	Very high	97	Very high	35 Å²	35	39.1 Å²	39.1	18%	0.183	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-23.1	-171.7	-69.1	171.6	0	0	0	113.4	W420 C421 I461 G475 A477 P501	W420-L463 HydrophobicContact CB-CD2 4.31Å; W420-L463 HydrophobicContact CD2-CD2 4.39Å; W420-L463 HydrophobicContact CG-CD2 4.22Å; C421-L463 WeakPolarHBondContact CB-O 3.39Å; C421-L463 VanDerWaalsContact SG-C 3.57Å; I461-L463 HydrophobicContact CB-CD2 4.39Å; I461-L463 HydrophobicContact CB-CG 4.43Å; I461-L463 HydrophobicContact CG2-CD2 3.64Å; I461-L463 HydrophobicContact CG2-CG 4.03Å; I461-L463 PolarHBondContact O-N 3.49Å; L463-G475 PolarHBondContact N-O 3.35Å; L463-A477 HydrophobicContact CD1-CB 4.2Å; L463-P501 HydrophobicContact CD1-CB 3.97Å
464	A	98.4	Very high	97.1	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.6	-175.7	0	0	0	0	0	112.3	S474 G475 L505	A464-S474 CarbonylContact O-C 3.56Å; A464-S474 WeakPolarHBondContact O-CA 3.3Å; A464-G475 PolarHBondContact N-O 3.11Å; A464-G475 PolarHBondContact O-N 3.22Å; A464-L505 HydrophobicContact CB-CB 4.09Å; A464-L505 HydrophobicContact CB-CD1 4.14Å; A464-L505 HydrophobicContact CB-CG 3.78Å
465	L	98.7	Very high	97.1	Very high	15 Å²	15	32.8 Å²	32.8	8%	0.079	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.2	172.8	-71	169.4	0	0	0	109.7	C421 C423 F432 I440 V462 L472 Y473	C421-L465 HydrophobicContact CB-CG 4.49Å; C423-L465 HydrophobicContact CB-CB 3.68Å; F432-L465 HydrophobicContact CB-CD1 4.02Å; I440-L465 HydrophobicContact CD1-CD2 3.81Å; I440-L465 HydrophobicContact CG1-CD2 4.11Å; I440-L465 HydrophobicContact CG2-CD1 4.21Å; I440-L465 HydrophobicContact CG2-CD2 4.21Å; V462-L465 HydrophobicContact CG1-CD2 4.31Å; L465-L472 HydrophobicContact CB-CD1 4.38Å; L465-L472 HydrophobicContact CD2-CD1 4.01Å; L465-L472 HydrophobicContact CD2-CD2 4.23Å; L465-L472 HydrophobicContact CD2-CG 4.3Å; L465-Y473 WeakPolarHBondContact CA-O 3.38Å
466	C	97.1	Very high	97.1	Very high	11 Å²	11	32.5 Å²	32.5	7%	0.074	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	145.3	177.6	-173.1	0	0	0	0	110.5	Y473 L505 V506 S507 L512	C466-Y473 PolarHBondContact N-O 3.5Å; C466-Y473 PolarHBondContact O-N 3.41Å; C466-L505 HydrophobicContact CB-CB 3.62Å; C466-V506 VanDerWaalsContact SG-CA 3.58Å; C466-S507 PolarHBondContact SG-N 3.13Å; C466-S507 PolarHBondContact SG-OG 2.92Å; C466-S507 VanDerWaalsContact SG-OG 3.37Å; C466-L512 HydrophobicContact CB-CD1 4.37Å
467	I	95.8	Very high	97.1	Very high	30 Å²	30	27.5 Å²	27.5	15%	0.154	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.5	-178.5	-67.7	171.8	0	0	0	109.9	C423 Y425 F432 K471 L472 I486 S507	C423-I467 HydrophobicContact CB-CD1 4.42Å; Y425-I467 HydrophobicContact CD2-CD1 4.46Å; Y425-I467 HydrophobicContact CD2-CG2 4.07Å; F432-I467 HydrophobicContact CD2-CD1 3.92Å; F432-I467 HydrophobicContact CE2-CD1 4.08Å; I467-K471 WeakPolarHBondContact CA-O 3.32Å; I467-L472 HydrophobicContact CD1-CD1 4.12Å; I467-L472 HydrophobicContact CG1-CB 4.38Å; I467-L472 HydrophobicContact CG1-CD1 3.51Å; I467-I486 HydrophobicContact CD1-CD1 4.18Å; I467-I486 HydrophobicContact CG1-CD1 4.11Å; I467-I486 HydrophobicContact CG2-CD1 3.69Å; I467-S507 PolarHBondContact O-OG 3.05Å
468	Q	93.6	Very high	97.2	Very high	53 Å²	53	27.3 Å²	27.3	25%	0.248	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	122.5	161.4	-166.8	179.4	-57.2	0	0	110.8	N470 K471 Y473 N510 I525	Q468-N470 PolarHBondContact O-N 2.88Å; Q468-K471 PolarHBondContact N-O 2.81Å; Q468-K471 PolarHBondContact O-N 2.68Å; Q468-K471 VanDerWaalsContact O-N 3.11Å; Q468-Y473 HydrophobicContact CB-CE2 4.25Å; Q468-N510 PolarHBondContact NE2-OD1 2.87Å; Q468-I525 HydrophobicContact CB-CD1 4.26Å; Q468-I525 HydrophobicContact CG-CD1 4.49Å
469	G	91	Very high	97.2	Very high	56 Å²	56	27.7 Å²	27.7	58%	0.577	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	-126.2	-177.7	0	0	0	0	0	111.2	Y425 K471	Y425-G469 WeakPolarHBondContact CE2-O 3.25Å; G469-K471 VanDerWaalsContact C-N 3.34Å
470	N	92.1	Very high	97.3	Very high	39 Å²	39	22.8 Å²	22.8	21%	0.209	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	6.1	177.4	-146.9	68	0	0	0	114.3	Q468 D485 I486 Q487	Q468-N470 PolarHBondContact O-N 2.88Å; N470-D485 PolarHBondContact ND2-OD2 3.42Å; N470-I486 WeakPolarHBondContact O-CB 3.35Å; N470-I486 WeakPolarHBondContact O-CG1 3.28Å; N470-I486 PolarHBondContact O-N 3.41Å; N470-Q487 VanDerWaalsContact CG-NE2 3.3Å; N470-Q487 WeakPolarHBondContact ND2-CG 3.35Å; N470-Q487 PolarHBondContact ND2-N 3Å; N470-Q487 PolarHBondContact ND2-NE2 3.46Å; N470-Q487 WeakPolarHBondContact OD1-CG 3.49Å; N470-Q487 PolarHBondContact OD1-NE2 3.16Å
471	K	94.6	Very high	97.3	Very high	46 Å²	46	22.2 Å²	22.2	20%	0.2	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.3	-176.8	-68.2	179	179.6	-179.3	0	111.8	I467 Q468 G469 Y473 V483 W484 G527	I467-K471 WeakPolarHBondContact CA-O 3.32Å; Q468-K471 PolarHBondContact N-O 2.81Å; Q468-K471 PolarHBondContact O-N 2.68Å; Q468-K471 VanDerWaalsContact O-N 3.11Å; G469-K471 VanDerWaalsContact C-N 3.34Å; K471-Y473 HydrophobicContact CB-CE2 3.88Å; K471-Y473 VanDerWaalsContact CD-OH 3.24Å; K471-Y473 WeakPolarHBondContact CD-OH 3.39Å; K471-V483 HydrophobicContact CB-CG1 4.31Å; K471-V483 HydrophobicContact CD-CG1 3.93Å; K471-V483 HydrophobicContact CG-CG1 4.18Å; K471-W484 WeakPolarHBondContact CA-O 3.4Å; K471-G527 PolarHBondContact NZ-O 3.02Å
472	L	97.5	Very high	97.2	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.4	163.4	175.1	73.6	0	0	0	108.7	F432 I440 L455 L465 I467 V483 W484 I486	F432-L472 HydrophobicContact CB-CD1 4.46Å; F432-L472 HydrophobicContact CB-CD2 4.39Å; F432-L472 HydrophobicContact CD1-CD2 3.47Å; F432-L472 VanDerWaalsContact CD1-CD2 3.47Å; F432-L472 HydrophobicContact CD2-CD1 4.48Å; F432-L472 HydrophobicContact CE1-CD2 3.79Å; F432-L472 HydrophobicContact CG-CD1 4.29Å; F432-L472 HydrophobicContact CG-CD2 3.91Å; F432-L472 HydrophobicContact CZ-CD2 4.48Å; I440-L472 HydrophobicContact CD1-CD2 4.46Å; I440-L472 HydrophobicContact CG2-CD2 4.47Å; L455-L472 HydrophobicContact CD1-CD2 4.16Å; L465-L472 HydrophobicContact CB-CD1 4.38Å; L465-L472 HydrophobicContact CD2-CD1 4.01Å; L465-L472 HydrophobicContact CD2-CD2 4.23Å; L465-L472 HydrophobicContact CD2-CG 4.3Å; I467-L472 HydrophobicContact CD1-CD1 4.12Å; I467-L472 HydrophobicContact CG1-CB 4.38Å; I467-L472 HydrophobicContact CG1-CD1 3.51Å; L472-V483 WeakPolarHBondContact O-CA 3.35Å; L472-W484 HydrophobicContact CB-CB 4.26Å; L472-W484 HydrophobicContact CD2-CG 4.36Å; L472-W484 PolarHBondContact N-O 2.89Å; L472-W484 PolarHBondContact O-N 3.12Å; L472-I486 HydrophobicContact CB-CD1 4.22Å; L472-I486 HydrophobicContact CB-CG1 4.03Å
473	Y	98.3	Very high	97.2	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.016	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.8	172.8	-56.3	-87.4	0	0	0	108.4	L465 C466 Q468 K471 I481 I482 V483 L512 I525 L530	L465-Y473 WeakPolarHBondContact CA-O 3.38Å; C466-Y473 PolarHBondContact N-O 3.5Å; C466-Y473 PolarHBondContact O-N 3.41Å; Q468-Y473 HydrophobicContact CB-CE2 4.25Å; K471-Y473 HydrophobicContact CB-CE2 3.88Å; K471-Y473 VanDerWaalsContact CD-OH 3.24Å; K471-Y473 WeakPolarHBondContact CD-OH 3.39Å; Y473-I481 HydrophobicContact CD1-CG2 4.47Å; Y473-I482 WeakPolarHBondContact CA-O 3.34Å; Y473-V483 HydrophobicContact CD1-CG1 4.35Å; Y473-V483 HydrophobicContact CD1-CG2 3.89Å; Y473-V483 HydrophobicContact CE1-CG1 4.03Å; Y473-V483 HydrophobicContact CE1-CG2 3.88Å; Y473-L512 HydrophobicContact CD1-CD2 3.65Å; Y473-L512 HydrophobicContact CD2-CD1 4.15Å; Y473-L512 HydrophobicContact CE1-CD2 4.25Å; Y473-L512 HydrophobicContact CG-CD1 4.11Å; Y473-L512 HydrophobicContact CG-CD2 3.81Å; Y473-I525 HydrophobicContact CE1-CG2 4.01Å; Y473-I525 HydrophobicContact CE2-CD1 4.37Å; Y473-L530 HydrophobicContact CD1-CD1 4.28Å; Y473-L530 HydrophobicContact CE1-CD1 4.26Å; Y473-L530 HydrophobicContact CE1-CD2 4.27Å; Y473-L530 HydrophobicContact CE1-CG 4.45Å
474	S	98.7	Very high	97.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.5	175.6	59.2	0	0	0	0	111.3	H458 A464 I481 I482 W484	H458-S474 PolarHBondContact CD2-OG 3.19Å; H458-S474 WeakPolarHBondContact NE2-CB 3.42Å; H458-S474 PolarHBondContact NE2-O 3.22Å; H458-S474 PolarHBondContact NE2-OG 3.15Å; A464-S474 CarbonylContact O-C 3.56Å; A464-S474 WeakPolarHBondContact O-CA 3.3Å; S474-I481 CarbonylContact O-C 3.57Å; S474-I481 VanDerWaalsContact O-CA 3.22Å; S474-I481 WeakPolarHBondContact O-CA 3.3Å; S474-I482 PolarHBondContact N-O 3.12Å; S474-I482 PolarHBondContact O-N 3.38Å; S474-W484 PolarHBondContact OG-NE1 2.64Å
475	G	98.7	Very high	97	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	139.7	177.8	0	0	0	0	0	110.6	L463 A464 V502	L463-G475 PolarHBondContact N-O 3.35Å; A464-G475 PolarHBondContact N-O 3.11Å; A464-G475 PolarHBondContact O-N 3.22Å; G475-V502 CarbonylContact C-O 3.48Å
476	S	98.8	Very high	96.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	163.4	-167.5	170.4	0	0	0	0	114	H458 G460 I461 D478 C479 T480 V502	H458-S476 WeakPolarHBondContact CE1-CB 3.37Å; H458-S476 WeakPolarHBondContact ND1-CB 3.46Å; G460-S476 WeakPolarHBondContact CA-OG 3.42Å; G460-S476 PolarHBondContact O-OG 3.47Å; I461-S476 CarbonylContact O-C 3.6Å; I461-S476 WeakPolarHBondContact O-CA 3.49Å; I461-S476 PolarHBondContact O-OG 3.14Å; S476-D478 VanDerWaalsContact CB-OD1 3.3Å; S476-D478 WeakPolarHBondContact CB-OD1 3.44Å; S476-D478 VanDerWaalsContact CB-OD2 3.32Å; S476-D478 WeakPolarHBondContact CB-OD2 3.34Å; S476-D478 PolarHBondContact O-N 3.27Å; S476-D478 PolarHBondContact OG-N 3.45Å; S476-D478 VanDerWaalsContact OG-N 3.16Å; S476-D478 PolarHBondContact OG-OD1 3.14Å; S476-D478 PolarHBondContact OG-OD2 3.01Å; S476-C479 PolarHBondContact O-N 2.95Å; S476-C479 VanDerWaalsContact O-N 3.11Å; S476-T480 PolarHBondContact N-O 3.01Å; S476-V502 PolarHBondContact O-N 2.83Å
477	A	98.7	Very high	96.6	Very high	35 Å²	35	26.2 Å²	26.2	29%	0.289	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.3	168.8	0	0	0	0	0	114.5	I461 L463 C479 P501	I461-A477 HydrophobicContact CB-CB 4.07Å; I461-A477 PolarHBondContact O-N 3.07Å; L463-A477 HydrophobicContact CD1-CB 4.2Å; A477-C479 PolarHBondContact O-N 3.06Å; A477-P501 HydrophobicContact CB-CB 4.42Å; A477-P501 HydrophobicContact CB-CG 4.39Å
478	D	98.6	Very high	96.6	Very high	34 Å²	34	28.7 Å²	28.7	18%	0.182	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	4.6	167.2	58.1	44.4	0	0	0	113.9	H458 D459 G460 S476 T480	H458-D478 WeakPolarHBondContact CA-OD2 3.19Å; H458-D478 WeakPolarHBondContact CB-OD2 3.42Å; H458-D478 IonicContact CE1-OD1 3.08Å; H458-D478 IonicContact CG-OD2 3.26Å; H458-D478 IonicContact ND1-OD1 2.76Å; H458-D478 PolarHBondContact ND1-OD1 2.9Å; H458-D478 IonicContact ND1-OD2 3.79Å; H458-D478 PolarHBondContact ND1-OD2 3.45Å; D459-D478 HydrophobicContact CB-CB 4.09Å; D459-D478 PolarHBondContact N-OD2 3.03Å; G460-D478 PolarHBondContact N-OD2 2.86Å; S476-D478 VanDerWaalsContact CB-OD1 3.3Å; S476-D478 WeakPolarHBondContact CB-OD1 3.44Å; S476-D478 VanDerWaalsContact CB-OD2 3.32Å; S476-D478 WeakPolarHBondContact CB-OD2 3.34Å; S476-D478 PolarHBondContact O-N 3.27Å; S476-D478 PolarHBondContact OG-N 3.45Å; S476-D478 VanDerWaalsContact OG-N 3.16Å; S476-D478 PolarHBondContact OG-OD1 3.14Å; S476-D478 PolarHBondContact OG-OD2 3.01Å; D478-T480 PolarHBondContact O-N 2.78Å; D478-T480 VanDerWaalsContact OD1-CB 3.27Å; D478-T480 WeakPolarHBondContact OD1-CB 3.48Å; D478-T480 WeakPolarHBondContact OD1-CG2 3.09Å; D478-T480 PolarHBondContact OD1-N 3.47Å; D478-T480 PolarHBondContact OD1-OG1 2.9Å
479	C	98.6	Very high	96.7	Very high	17 Å²	17	27.5 Å²	27.5	12%	0.115	16%	0.162	C	C	.	.	S	Bend	trans	67	8.1	179.3	-43.7	0	0	0	0	114.9	S476 A477 A497 H498 N500	S476-C479 PolarHBondContact O-N 2.95Å; S476-C479 VanDerWaalsContact O-N 3.11Å; A477-C479 PolarHBondContact O-N 3.06Å; C479-A497 PolarHBondContact O-N 2.87Å; C479-A497 VanDerWaalsContact O-N 3.11Å; C479-H498 WeakPolarHBondContact CB-O 3.47Å; C479-H498 PolarHBondContact O-N 3.47Å; C479-N500 WeakPolarHBondContact CB-O 3.45Å; C479-N500 PolarHBondContact SG-O 2.77Å
480	T	98.6	Very high	96.9	Very high	26 Å²	26	29.9 Å²	29.9	16%	0.16	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	162.6	175.7	73.9	0	0	0	0	113.2	H458 S476 D478 T494 I495 V502	H458-T480 PolarHBondContact CE1-OG1 3.03Å; H458-T480 VanDerWaalsContact CE1-OG1 3.28Å; H458-T480 PolarHBondContact ND1-OG1 2.64Å; S476-T480 PolarHBondContact N-O 3.01Å; D478-T480 PolarHBondContact O-N 2.78Å; D478-T480 VanDerWaalsContact OD1-CB 3.27Å; D478-T480 WeakPolarHBondContact OD1-CB 3.48Å; D478-T480 WeakPolarHBondContact OD1-CG2 3.09Å; D478-T480 PolarHBondContact OD1-N 3.47Å; D478-T480 PolarHBondContact OD1-OG1 2.9Å; T480-T494 HydrophobicContact CG2-CG2 4.38Å; T480-I495 CarbonylContact C-O 3.51Å; T480-I495 WeakPolarHBondContact CA-O 3.25Å; T480-I495 VanDerWaalsContact CB-O 3.22Å; T480-I495 WeakPolarHBondContact CB-O 3.4Å; T480-V502 WeakPolarHBondContact O-CG2 3.32Å
481	I	98.6	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.3	157.2	-64.3	168.3	0	0	0	108.1	Y473 S474 I495 A497 V502 L505 L512 L530	Y473-I481 HydrophobicContact CD1-CG2 4.47Å; S474-I481 CarbonylContact O-C 3.57Å; S474-I481 VanDerWaalsContact O-CA 3.22Å; S474-I481 WeakPolarHBondContact O-CA 3.3Å; I481-I495 HydrophobicContact CB-CD1 4.32Å; I481-I495 HydrophobicContact CB-CG1 3.93Å; I481-I495 PolarHBondContact N-O 3.4Å; I481-I495 PolarHBondContact O-N 3.11Å; I481-A497 HydrophobicContact CB-CB 4.34Å; I481-A497 HydrophobicContact CD1-CB 3.59Å; I481-A497 HydrophobicContact CG1-CB 3.66Å; I481-V502 HydrophobicContact CD1-CG1 4.3Å; I481-V502 HydrophobicContact CG1-CG1 4.07Å; I481-V502 HydrophobicContact CG1-CG2 4.26Å; I481-L505 HydrophobicContact CD1-CD2 3.77Å; I481-L505 HydrophobicContact CG1-CD2 4.25Å; I481-L512 HydrophobicContact CD1-CD2 4.19Å; I481-L512 HydrophobicContact CG2-CD2 4.26Å; I481-L530 HydrophobicContact CG2-CD1 4.21Å
482	I	98.3	Very high	97.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137.8	171.6	-60.6	179.1	0	0	0	109.5	G457 H458 Y473 S474 W484 K491 N493 T494	G457-I482 WeakPolarHBondContact O-CD1 3.44Å; H458-I482 HydrophobicContact CB-CD1 4.43Å; H458-I482 VanDerWaalsContact CE1-CG1 3.5Å; H458-I482 WeakPolarHBondContact CE1-CG1 3.13Å; Y473-I482 WeakPolarHBondContact CA-O 3.34Å; S474-I482 PolarHBondContact N-O 3.12Å; S474-I482 PolarHBondContact O-N 3.38Å; I482-W484 HydrophobicContact CB-CZ2 4.04Å; I482-W484 HydrophobicContact CD1-CZ2 4.12Å; I482-W484 HydrophobicContact CG2-CD2 3.92Å; I482-W484 HydrophobicContact CG2-CE3 4.48Å; I482-W484 HydrophobicContact CG2-CG 4.42Å; I482-W484 HydrophobicContact CG2-CH2 4.1Å; I482-W484 HydrophobicContact CG2-CZ2 3.49Å; I482-W484 VanDerWaalsContact CG2-CZ2 3.49Å; I482-K491 HydrophobicContact CD1-CD 4.32Å; I482-K491 HydrophobicContact CG2-CD 3.61Å; I482-K491 HydrophobicContact CG2-CG 3.6Å; I482-N493 WeakPolarHBondContact CA-O 3.24Å; I482-N493 WeakPolarHBondContact CG2-O 3.45Å; I482-T494 HydrophobicContact CD1-CG2 4.48Å; I482-T494 HydrophobicContact CG1-CG2 3.88Å
483	V	97.5	Very high	97	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.4	172.7	-170.8	0	0	0	0	108.6	K471 L472 Y473 V492 N493 L530	K471-V483 HydrophobicContact CB-CG1 4.31Å; K471-V483 HydrophobicContact CD-CG1 3.93Å; K471-V483 HydrophobicContact CG-CG1 4.18Å; L472-V483 WeakPolarHBondContact O-CA 3.35Å; Y473-V483 HydrophobicContact CD1-CG1 4.35Å; Y473-V483 HydrophobicContact CD1-CG2 3.89Å; Y473-V483 HydrophobicContact CE1-CG1 4.03Å; Y473-V483 HydrophobicContact CE1-CG2 3.88Å; V483-V492 HydrophobicContact CB-CB 4.36Å; V483-V492 HydrophobicContact CG1-CB 4.26Å; V483-V492 PolarHBondContact O-N 3.27Å; V483-N493 HydrophobicContact CB-CB 4.06Å; V483-N493 HydrophobicContact CG2-CB 4Å; V483-N493 PolarHBondContact N-O 2.82Å; V483-N493 PolarHBondContact O-N 3.22Å; V483-L530 HydrophobicContact CG2-CD1 3.41Å; V483-L530 VanDerWaalsContact CG2-CD1 3.41Å; V483-L530 HydrophobicContact CG2-CG 4.39Å
484	W	97.5	Very high	96.9	Very high	9 Å²	9	39.5 Å²	39.5	3%	0.034	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.3	175.1	-41	80.7	0	0	0	110	I440 L455 E456 K471 L472 S474 I482 Q490 K491	I440-W484 HydrophobicContact CD1-CZ2 3.91Å; L455-W484 HydrophobicContact CB-CD2 4.42Å; L455-W484 HydrophobicContact CB-CE3 4Å; L455-W484 HydrophobicContact CB-CH2 3.92Å; L455-W484 HydrophobicContact CB-CZ2 4.33Å; L455-W484 HydrophobicContact CB-CZ3 3.74Å; L455-W484 HydrophobicContact CD1-CD2 3.99Å; L455-W484 HydrophobicContact CD1-CE3 4.11Å; L455-W484 HydrophobicContact CD1-CG 4.19Å; L455-W484 HydrophobicContact CG-CE3 4.49Å; E456-W484 WeakPolarHBondContact O-CH2 3.44Å; K471-W484 WeakPolarHBondContact CA-O 3.4Å; L472-W484 HydrophobicContact CB-CB 4.26Å; L472-W484 HydrophobicContact CD2-CG 4.36Å; L472-W484 PolarHBondContact N-O 2.89Å; L472-W484 PolarHBondContact O-N 3.12Å; S474-W484 PolarHBondContact OG-NE1 2.64Å; I482-W484 HydrophobicContact CB-CZ2 4.04Å; I482-W484 HydrophobicContact CD1-CZ2 4.12Å; I482-W484 HydrophobicContact CG2-CD2 3.92Å; I482-W484 HydrophobicContact CG2-CE3 4.48Å; I482-W484 HydrophobicContact CG2-CG 4.42Å; I482-W484 HydrophobicContact CG2-CH2 4.1Å; I482-W484 HydrophobicContact CG2-CZ2 3.49Å; I482-W484 VanDerWaalsContact CG2-CZ2 3.49Å; W484-Q490 VanDerWaalsContact CA-O 3.26Å; W484-Q490 WeakPolarHBondContact CA-O 3.37Å; W484-K491 HydrophobicContact CE3-CB 3.88Å; W484-K491 HydrophobicContact CE3-CG 4.45Å; W484-K491 HydrophobicContact CH2-CD 4.45Å; W484-K491 HydrophobicContact CZ3-CB 3.78Å; W484-K491 HydrophobicContact CZ3-CD 4.45Å; W484-K491 HydrophobicContact CZ3-CG 4.32Å
485	D	95.5	Very high	96.8	Very high	35 Å²	35	40.8 Å²	40.8	19%	0.187	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.4	169.9	175	-93.5	0	0	0	110.1	N470 Q487 T488 L489 Q490 V492	N470-D485 PolarHBondContact ND2-OD2 3.42Å; D485-Q487 PolarHBondContact OD1-N 2.76Å; D485-Q487 VanDerWaalsContact OD1-N 3.09Å; D485-T488 WeakPolarHBondContact CB-OG1 3.35Å; D485-T488 WeakPolarHBondContact OD1-CB 3.32Å; D485-T488 PolarHBondContact OD1-N 3.46Å; D485-T488 PolarHBondContact OD1-OG1 3Å; D485-L489 WeakPolarHBondContact O-CA 3.42Å; D485-L489 PolarHBondContact O-N 3.38Å; D485-Q490 PolarHBondContact N-O 3.19Å; D485-V492 HydrophobicContact CB-CG2 3.66Å
486	I	95.1	Very high	96.7	Very high	8 Å²	8	49 Å²	49	4%	0.041	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-23.6	-171.5	-67	173.8	0	0	0	112.5	Y425 L430 F432 I467 N470 L472 L489	Y425-I486 HydrophobicContact CD1-CG2 3.63Å; Y425-I486 HydrophobicContact CD2-CD1 3.92Å; Y425-I486 HydrophobicContact CD2-CG2 4.28Å; Y425-I486 HydrophobicContact CE1-CG2 3.58Å; Y425-I486 HydrophobicContact CE2-CD1 4.07Å; Y425-I486 HydrophobicContact CE2-CG2 4.22Å; Y425-I486 HydrophobicContact CG-CD1 4.41Å; Y425-I486 HydrophobicContact CG-CG2 3.99Å; L430-I486 HydrophobicContact CD1-CG2 4.43Å; F432-I486 HydrophobicContact CZ-CG1 4.33Å; F432-I486 HydrophobicContact CZ-CG2 4.25Å; I467-I486 HydrophobicContact CD1-CD1 4.18Å; I467-I486 HydrophobicContact CG1-CD1 4.11Å; I467-I486 HydrophobicContact CG2-CD1 3.69Å; N470-I486 WeakPolarHBondContact O-CB 3.35Å; N470-I486 WeakPolarHBondContact O-CG1 3.28Å; N470-I486 PolarHBondContact O-N 3.41Å; L472-I486 HydrophobicContact CB-CD1 4.22Å; L472-I486 HydrophobicContact CB-CG1 4.03Å; I486-L489 WeakPolarHBondContact O-CD2 3.48Å
487	Q	92.9	Very high	96.6	Very high	156 Å²	156	49.1 Å²	49.1	73%	0.729	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-41.3	179	-78.2	168.9	32.6	0	0	112	N470 D485	N470-Q487 VanDerWaalsContact CG-NE2 3.3Å; N470-Q487 WeakPolarHBondContact ND2-CG 3.35Å; N470-Q487 PolarHBondContact ND2-N 3Å; N470-Q487 PolarHBondContact ND2-NE2 3.46Å; N470-Q487 WeakPolarHBondContact OD1-CG 3.49Å; N470-Q487 PolarHBondContact OD1-NE2 3.16Å; D485-Q487 PolarHBondContact OD1-N 2.76Å; D485-Q487 VanDerWaalsContact OD1-N 3.09Å
488	T	95.1	Very high	96.6	Very high	81 Å²	81	47.8 Å²	47.8	50%	0.497	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-15.8	-177.6	59.8	0	0	0	0	113.3	D485 Q490	D485-T488 WeakPolarHBondContact CB-OG1 3.35Å; D485-T488 WeakPolarHBondContact OD1-CB 3.32Å; D485-T488 PolarHBondContact OD1-N 3.46Å; D485-T488 PolarHBondContact OD1-OG1 3Å; T488-Q490 PolarHBondContact O-N 3.27Å; T488-Q490 PolarHBondContact O-NE2 3.46Å
489	L	95.8	Very high	96.5	Very high	28 Å²	28	51.3 Å²	51.3	15%	0.147	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	37.1	-173.2	-59.4	179.2	0	0	0	112.5	F432 V442 K453 L455 D485 I486	F432-L489 HydrophobicContact CE1-CD2 4.04Å; F432-L489 HydrophobicContact CZ-CD2 4.14Å; V442-L489 HydrophobicContact CG1-CD1 4.23Å; V442-L489 HydrophobicContact CG1-CD2 4.35Å; V442-L489 HydrophobicContact CG2-CD1 4.36Å; V442-L489 HydrophobicContact CG2-CD2 4.27Å; K453-L489 HydrophobicContact CB-CD1 3.75Å; K453-L489 HydrophobicContact CG-CB 4.27Å; K453-L489 HydrophobicContact CG-CD1 4.15Å; L455-L489 HydrophobicContact CD2-CB 3.99Å; L455-L489 WeakPolarHBondContact CD2-O 3.3Å; D485-L489 WeakPolarHBondContact O-CA 3.42Å; D485-L489 PolarHBondContact O-N 3.38Å; I486-L489 WeakPolarHBondContact O-CD2 3.48Å
490	Q	96.1	Very high	96.5	Very high	107 Å²	107	53.5 Å²	53.5	50%	0.5	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	155.6	178.8	-61.5	-47.8	-53.4	0	0	112.7	W484 D485 T488	W484-Q490 VanDerWaalsContact CA-O 3.26Å; W484-Q490 WeakPolarHBondContact CA-O 3.37Å; D485-Q490 PolarHBondContact N-O 3.19Å; T488-Q490 PolarHBondContact O-N 3.27Å; T488-Q490 PolarHBondContact O-NE2 3.46Å
491	K	96.9	Very high	96.5	Very high	106 Å²	106	53.5 Å²	53.5	46%	0.461	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	124.4	171.6	-171.6	164.8	76.7	171.7	0	110.2	I482 W484	I482-K491 HydrophobicContact CD1-CD 4.32Å; I482-K491 HydrophobicContact CG2-CD 3.61Å; I482-K491 HydrophobicContact CG2-CG 3.6Å; W484-K491 HydrophobicContact CE3-CB 3.88Å; W484-K491 HydrophobicContact CE3-CG 4.45Å; W484-K491 HydrophobicContact CH2-CD 4.45Å; W484-K491 HydrophobicContact CZ3-CB 3.78Å; W484-K491 HydrophobicContact CZ3-CD 4.45Å; W484-K491 HydrophobicContact CZ3-CG 4.32Å
492	V	95.1	Very high	96.5	Very high	78 Å²	78	53.5 Å²	53.5	47%	0.473	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-42.1	-179.5	180	0	0	0	0	111.6	V483 D485	V483-V492 HydrophobicContact CB-CB 4.36Å; V483-V492 HydrophobicContact CG1-CB 4.26Å; V483-V492 PolarHBondContact O-N 3.27Å; D485-V492 HydrophobicContact CB-CG2 3.66Å
493	N	94.4	Very high	96.5	Very high	47 Å²	47	54.1 Å²	54.1	25%	0.251	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	159	-174.8	-159.8	-13.1	0	0	0	111	I482 V483	I482-N493 WeakPolarHBondContact CA-O 3.24Å; I482-N493 WeakPolarHBondContact CG2-O 3.45Å; V483-N493 HydrophobicContact CB-CB 4.06Å; V483-N493 HydrophobicContact CG2-CB 4Å; V483-N493 PolarHBondContact N-O 2.82Å; V483-N493 PolarHBondContact O-N 3.22Å
494	T	96.6	Very high	96.6	Very high	60 Å²	60	54.9 Å²	54.9	37%	0.368	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	122.6	174.6	-58.5	0	0	0	0	108.9	T480 I482	T480-T494 HydrophobicContact CG2-CG2 4.38Å; I482-T494 HydrophobicContact CD1-CG2 4.48Å; I482-T494 HydrophobicContact CG1-CG2 3.88Å
495	I	96.4	Very high	96.6	Very high	28 Å²	28	55 Å²	55	14%	0.144	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.5	177.1	59.5	154.5	0	0	0	111.1	T480 I481 A497 W523 L530	T480-I495 CarbonylContact C-O 3.51Å; T480-I495 WeakPolarHBondContact CA-O 3.25Å; T480-I495 VanDerWaalsContact CB-O 3.22Å; T480-I495 WeakPolarHBondContact CB-O 3.4Å; I481-I495 HydrophobicContact CB-CD1 4.32Å; I481-I495 HydrophobicContact CB-CG1 3.93Å; I481-I495 PolarHBondContact N-O 3.4Å; I481-I495 PolarHBondContact O-N 3.11Å; I495-A497 HydrophobicContact CD1-CB 4.21Å; I495-A497 PolarHBondContact O-N 2.82Å; I495-W523 HydrophobicContact CD1-CD2 3.98Å; I495-W523 HydrophobicContact CD1-CE3 3.77Å; I495-W523 HydrophobicContact CD1-CH2 3.83Å; I495-W523 HydrophobicContact CD1-CZ2 4.02Å; I495-W523 HydrophobicContact CD1-CZ3 3.68Å; I495-L530 HydrophobicContact CD1-CB 3.76Å; I495-L530 HydrophobicContact CD1-CD1 3.78Å; I495-L530 HydrophobicContact CD1-CG 4.28Å; I495-L530 HydrophobicContact CG1-CB 4.47Å; I495-L530 HydrophobicContact CG1-CD1 3.92Å; I495-L530 HydrophobicContact CG2-CB 4.34Å
496	R	96.8	Very high	96.8	Very high	173 Å²	173	54.5 Å²	54.5	65%	0.653	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	102.2	163.4	-175.5	-178.3	177.2	104.8	-0.8	107.5	D499	R496-D499 IonicContact CZ-OD1 2.74Å; R496-D499 IonicContact NE-OD1 3.48Å; R496-D499 PolarHBondContact NE-OD1 3.1Å; R496-D499 IonicContact NH2-OD1 2.81Å; R496-D499 PolarHBondContact NH2-OD1 2.97Å
497	A	96.4	Very high	96.8	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.008	28%	0.283	C	S	.	.			trans	-85	-44.1	-170.8	0	0	0	0	0	111.7	C479 I481 I495 V502 K521 W523	C479-A497 PolarHBondContact O-N 2.87Å; C479-A497 VanDerWaalsContact O-N 3.11Å; I481-A497 HydrophobicContact CB-CB 4.34Å; I481-A497 HydrophobicContact CD1-CB 3.59Å; I481-A497 HydrophobicContact CG1-CB 3.66Å; I495-A497 HydrophobicContact CD1-CB 4.21Å; I495-A497 PolarHBondContact O-N 2.82Å; A497-V502 HydrophobicContact CB-CG2 4.16Å; A497-K521 WeakPolarHBondContact O-CD 3.25Å; A497-K521 PolarHBondContact O-NZ 3.41Å; A497-W523 HydrophobicContact CB-CH2 4.36Å; A497-W523 HydrophobicContact CB-CZ2 3.7Å
498	H	97.8	Very high	96.9	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.037	25%	0.254	C	S	.	.			trans	-134.7	173	-174.9	-70.6	-92.2	0	0	0	110.3	C479 N500 S514 S516	C479-H498 WeakPolarHBondContact CB-O 3.47Å; C479-H498 PolarHBondContact O-N 3.47Å; H498-N500 VanDerWaalsContact CB-O 3.25Å; H498-N500 WeakPolarHBondContact CB-O 3.28Å; H498-S514 PolarHBondContact CE1-O 2.82Å; H498-S514 PolarHBondContact NE2-O 3.37Å; H498-S514 VanDerWaalsContact NE2-O 3.15Å; H498-S514 PolarHBondContact NE2-OG 2.8Å; H498-S516 WeakPolarHBondContact ND1-CB 3.46Å
499	D	97.4	Very high	96.8	Very high	108 Å²	108	50.2 Å²	50.2	58%	0.578	26%	0.255	S	S	*	.	S	Bend	trans	-101.3	2	170	-62.8	-65.7	0	0	0	112.5	R496	R496-D499 IonicContact CZ-OD1 2.74Å; R496-D499 IonicContact NE-OD1 3.48Å; R496-D499 PolarHBondContact NE-OD1 3.1Å; R496-D499 IonicContact NH2-OD1 2.81Å; R496-D499 PolarHBondContact NH2-OD1 2.97Å
500	N	98.4	Very high	96.6	Very high	62 Å²	62	52.9 Å²	52.9	33%	0.332	27%	0.269	S	S	.	.	S	Bend	trans	-129.8	161.1	172.2	-78.2	-98.2	0	0	0	108.8	C479 H498 V502 S516 L517	C479-N500 WeakPolarHBondContact CB-O 3.45Å; C479-N500 PolarHBondContact SG-O 2.77Å; H498-N500 VanDerWaalsContact CB-O 3.25Å; H498-N500 WeakPolarHBondContact CB-O 3.28Å; N500-V502 PolarHBondContact O-N 3.37Å; N500-S516 VanDerWaalsContact C-OG 3.3Å; N500-S516 VanDerWaalsContact CB-OG 3.3Å; N500-S516 WeakPolarHBondContact CB-OG 3.46Å; N500-S516 PolarHBondContact O-OG 3.45Å; N500-S516 VanDerWaalsContact O-OG 3.06Å; N500-L517 HydrophobicContact CB-CB 3.9Å; N500-L517 WeakPolarHBondContact OD1-CD2 3.14Å
501	P	98.7	Very high	96.6	Very high	27 Å²	27	48.2 Å²	48.2	18%	0.175	25%	0.248	C	C	.	.			trans	-47.5	137.3	-179.8	-35.6	39.7	0	0	0	114.6	L463 A477 C503 S516 W542	L463-P501 HydrophobicContact CD1-CB 3.97Å; A477-P501 HydrophobicContact CB-CB 4.42Å; A477-P501 HydrophobicContact CB-CG 4.39Å; P501-C503 PolarHBondContact O-N 2.83Å; P501-C503 PolarHBondContact O-SG 3.29Å; P501-S516 WeakPolarHBondContact O-CB 3.2Å; P501-S516 PolarHBondContact O-OG 3.37Å; P501-W542 HydrophobicContact CB-CH2 4.43Å; P501-W542 HydrophobicContact CB-CZ3 4Å; P501-W542 HydrophobicContact CG-CH2 4.05Å; P501-W542 HydrophobicContact CG-CZ3 4.12Å
502	V	98.8	Very high	96.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.			trans	-83.1	101.9	174.5	-169.3	0	0	0	0	108	G475 S476 T480 I481 A497 N500 L505	G475-V502 CarbonylContact C-O 3.48Å; S476-V502 PolarHBondContact O-N 2.83Å; T480-V502 WeakPolarHBondContact O-CG2 3.32Å; I481-V502 HydrophobicContact CD1-CG1 4.3Å; I481-V502 HydrophobicContact CG1-CG1 4.07Å; I481-V502 HydrophobicContact CG1-CG2 4.26Å; A497-V502 HydrophobicContact CB-CG2 4.16Å; N500-V502 PolarHBondContact O-N 3.37Å; V502-L505 HydrophobicContact CG1-CD2 3.93Å; V502-L505 HydrophobicContact CG1-CG 4.36Å
503	C	98.4	Very high	96.8	Very high	13 Å²	13	39.5 Å²	39.5	9%	0.088	20%	0.203	C	C	.	.			trans	-92.8	-18.2	-165.6	-66.9	0	0	0	0	114.1	P501 G515 W542 R544	P501-C503 PolarHBondContact O-N 2.83Å; P501-C503 PolarHBondContact O-SG 3.29Å; C503-G515 PolarHBondContact N-O 3.45Å; C503-W542 WeakPolarHBondContact SG-CZ3 3.38Å; C503-R544 PolarHBondContact SG-NH1 3.15Å
504	T	98.5	Very high	97	Very high	17 Å²	17	37.2 Å²	37.2	10%	0.104	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	146.4	-176.8	-173.5	0	0	0	0	110.7	S514 G515 V543 R544 L546	T504-S514 WeakPolarHBondContact O-CA 3.25Å; T504-G515 PolarHBondContact O-N 2.77Å; T504-V543 HydrophobicContact CG2-CG1 4.21Å; T504-V543 WeakPolarHBondContact CG2-O 3.39Å; T504-R544 VanDerWaalsContact CB-O 3.26Å; T504-R544 WeakPolarHBondContact CB-O 3.42Å; T504-R544 PolarHBondContact OG1-O 3.2Å; T504-L546 HydrophobicContact CG2-CB 3.47Å; T504-L546 VanDerWaalsContact CG2-CB 3.47Å; T504-L546 HydrophobicContact CG2-CD2 4.07Å; T504-L546 HydrophobicContact CG2-CG 4.41Å; T504-L546 WeakPolarHBondContact OG1-CB 3.48Å
505	L	98.5	Very high	97.1	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.068	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	132	-178.7	-70	178.4	0	0	0	109.3	A464 C466 I481 V502 L512 F513	A464-L505 HydrophobicContact CB-CB 4.09Å; A464-L505 HydrophobicContact CB-CD1 4.14Å; A464-L505 HydrophobicContact CB-CG 3.78Å; C466-L505 HydrophobicContact CB-CB 3.62Å; I481-L505 HydrophobicContact CD1-CD2 3.77Å; I481-L505 HydrophobicContact CG1-CD2 4.25Å; V502-L505 HydrophobicContact CG1-CD2 3.93Å; V502-L505 HydrophobicContact CG1-CG 4.36Å; L505-L512 HydrophobicContact CB-CD1 4.44Å; L505-L512 HydrophobicContact CD2-CD1 4.33Å; L505-L512 HydrophobicContact CD2-CD2 4.26Å; L505-L512 HydrophobicContact CD2-CG 4.31Å; L505-F513 WeakPolarHBondContact CA-O 3.29Å
506	V	97.9	Very high	97.2	Very high	24 Å²	24	33.1 Å²	33.1	15%	0.145	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.1	167.3	72.7	0	0	0	0	109.9	C466 F513 L546 A548 L553	C466-V506 VanDerWaalsContact SG-CA 3.58Å; V506-F513 HydrophobicContact CG1-CB 3.99Å; V506-F513 HydrophobicContact CG1-CD2 4.41Å; V506-F513 HydrophobicContact CG1-CG 4.49Å; V506-F513 PolarHBondContact N-O 3.47Å; V506-F513 VanDerWaalsContact N-O 3.08Å; V506-F513 PolarHBondContact O-N 3.38Å; V506-L546 HydrophobicContact CG1-CD2 3.93Å; V506-L546 HydrophobicContact CG1-CG 3.77Å; V506-A548 HydrophobicContact CG1-CB 4.14Å; V506-A548 HydrophobicContact CG2-CB 3.99Å; V506-L553 HydrophobicContact CG1-CD1 3.71Å
507	S	96.4	Very high	97.3	Very high	27 Å²	27	27.6 Å²	27.6	19%	0.189	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.9	-179.6	59.8	0	0	0	0	111.5	C466 I467 M511	C466-S507 PolarHBondContact SG-N 3.13Å; C466-S507 PolarHBondContact SG-OG 2.92Å; C466-S507 VanDerWaalsContact SG-OG 3.37Å; I467-S507 PolarHBondContact O-OG 3.05Å; S507-M511 CarbonylContact C-O 3.51Å; S507-M511 VanDerWaalsContact CA-O 3.29Å; S507-M511 WeakPolarHBondContact CA-O 3.35Å
508	S	95.6	Very high	97.3	Very high	17 Å²	17	33.2 Å²	33.2	12%	0.119	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	144.7	175.4	-172.8	0	0	0	0	109.6	N510 M511	S508-N510 VanDerWaalsContact C-N 3.31Å; S508-N510 PolarHBondContact O-N 3.41Å; S508-M511 PolarHBondContact N-O 3.45Å; S508-M511 WeakPolarHBondContact O-CB 3.23Å; S508-M511 PolarHBondContact O-N 3.4Å
509	H	91.4	Very high	97.3	Very high	111 Å²	111	33.2 Å²	33.2	51%	0.514	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	42.6	174.8	-66.4	74.4	0	0	0	114.9	M511 Q550 I566	H509-M511 HydrophobicContact CB-CE 3.96Å; H509-M511 PolarHBondContact O-N 2.82Å; H509-Q550 PolarHBondContact CE1-O 3.42Å; H509-I566 HydrophobicContact CB-CG2 4.11Å
510	N	92.9	Very high	97.3	Very high	84 Å²	84	28.1 Å²	28.1	45%	0.449	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	29.8	-175.2	-57.3	-23.8	0	0	0	114.2	Q468 S508 I525 V526	Q468-N510 PolarHBondContact NE2-OD1 2.87Å; S508-N510 VanDerWaalsContact C-N 3.31Å; S508-N510 PolarHBondContact O-N 3.41Å; N510-I525 WeakPolarHBondContact O-CG1 3.48Å; N510-I525 PolarHBondContact O-N 2.81Å; N510-V526 HydrophobicContact CB-CG2 3.6Å
511	M	96.1	Very high	97.3	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.044	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139	170.1	-63.8	174	-71.2	0	0	110.1	S507 S508 H509 F513 V522 W523 K533 I566 L569	S507-M511 CarbonylContact C-O 3.51Å; S507-M511 VanDerWaalsContact CA-O 3.29Å; S507-M511 WeakPolarHBondContact CA-O 3.35Å; S508-M511 PolarHBondContact N-O 3.45Å; S508-M511 WeakPolarHBondContact O-CB 3.23Å; S508-M511 PolarHBondContact O-N 3.4Å; H509-M511 HydrophobicContact CB-CE 3.96Å; H509-M511 PolarHBondContact O-N 2.82Å; M511-F513 HydrophobicContact CB-CD2 4.48Å; M511-F513 HydrophobicContact CB-CE2 3.8Å; M511-F513 HydrophobicContact CB-CZ 4.1Å; M511-F513 HydrophobicContact CE-CZ 4.06Å; M511-F513 HydrophobicContact SD-CZ 4.48Å; M511-V522 HydrophobicContact CB-CG1 3.95Å; M511-V522 HydrophobicContact CG-CG1 4.2Å; M511-V522 HydrophobicContact SD-CG1 3.86Å; M511-W523 CarbonylContact C-O 3.58Å; M511-W523 WeakPolarHBondContact CA-O 3.47Å; M511-K533 HydrophobicContact CG-CD 4.25Å; M511-K533 HydrophobicContact SD-CD 3.8Å; M511-K533 PolarHBondContact SD-NZ 2.84Å; M511-I566 HydrophobicContact CE-CG2 3.77Å; M511-L569 HydrophobicContact SD-CD1 4.38Å; M511-L569 HydrophobicContact SD-CD2 4.47Å
512	L	97.8	Very high	97.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	127	167.7	-177.8	70.9	0	0	0	108.7	C466 Y473 I481 L505 W523 I525 L530	C466-L512 HydrophobicContact CB-CD1 4.37Å; Y473-L512 HydrophobicContact CD1-CD2 3.65Å; Y473-L512 HydrophobicContact CD2-CD1 4.15Å; Y473-L512 HydrophobicContact CE1-CD2 4.25Å; Y473-L512 HydrophobicContact CG-CD1 4.11Å; Y473-L512 HydrophobicContact CG-CD2 3.81Å; I481-L512 HydrophobicContact CD1-CD2 4.19Å; I481-L512 HydrophobicContact CG2-CD2 4.26Å; L505-L512 HydrophobicContact CB-CD1 4.44Å; L505-L512 HydrophobicContact CD2-CD1 4.33Å; L505-L512 HydrophobicContact CD2-CD2 4.26Å; L505-L512 HydrophobicContact CD2-CG 4.31Å; L512-W523 HydrophobicContact CB-CB 4.36Å; L512-W523 PolarHBondContact N-O 3.27Å; L512-W523 PolarHBondContact O-N 3.46Å; L512-I525 HydrophobicContact CB-CG2 4.04Å; L512-L530 HydrophobicContact CB-CD2 4.3Å; L512-L530 HydrophobicContact CD2-CD2 3.81Å
513	F	98.5	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.1	176	-59.6	-99.6	0	0	0	108.8	L505 V506 M511 I520 V522 L546 L553 I566 L569	L505-F513 WeakPolarHBondContact CA-O 3.29Å; V506-F513 HydrophobicContact CG1-CB 3.99Å; V506-F513 HydrophobicContact CG1-CD2 4.41Å; V506-F513 HydrophobicContact CG1-CG 4.49Å; V506-F513 PolarHBondContact N-O 3.47Å; V506-F513 VanDerWaalsContact N-O 3.08Å; V506-F513 PolarHBondContact O-N 3.38Å; M511-F513 HydrophobicContact CB-CD2 4.48Å; M511-F513 HydrophobicContact CB-CE2 3.8Å; M511-F513 HydrophobicContact CB-CZ 4.1Å; M511-F513 HydrophobicContact CE-CZ 4.06Å; M511-F513 HydrophobicContact SD-CZ 4.48Å; F513-I520 HydrophobicContact CB-CG2 4.27Å; F513-V522 HydrophobicContact CD1-CB 4.37Å; F513-V522 HydrophobicContact CD1-CG1 4.02Å; F513-V522 HydrophobicContact CD1-CG2 3.73Å; F513-V522 HydrophobicContact CE1-CB 4.39Å; F513-V522 HydrophobicContact CE1-CG1 3.72Å; F513-V522 HydrophobicContact CE1-CG2 3.81Å; F513-V522 HydrophobicContact CZ-CG1 4.09Å; F513-L546 HydrophobicContact CB-CD2 3.86Å; F513-L553 HydrophobicContact CB-CD1 4.22Å; F513-L553 HydrophobicContact CD1-CD1 4.01Å; F513-L553 HydrophobicContact CD1-CD2 3.45Å; F513-L553 VanDerWaalsContact CD1-CD2 3.45Å; F513-L553 HydrophobicContact CD1-CG 4.34Å; F513-L553 HydrophobicContact CD2-CD1 4.27Å; F513-L553 HydrophobicContact CE1-CD1 4.44Å; F513-L553 HydrophobicContact CE1-CD2 3.82Å; F513-L553 HydrophobicContact CG-CD1 3.92Å; F513-L553 HydrophobicContact CG-CD2 4.16Å; F513-I566 HydrophobicContact CZ-CG2 4.38Å; F513-L569 HydrophobicContact CE1-CD2 3.69Å; F513-L569 HydrophobicContact CZ-CD2 4.02Å
514	S	98.6	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	114.1	-173.4	60	0	0	0	0	111.8	H498 T504 I520 K521 W523	H498-S514 PolarHBondContact CE1-O 2.82Å; H498-S514 PolarHBondContact NE2-O 3.37Å; H498-S514 VanDerWaalsContact NE2-O 3.15Å; H498-S514 PolarHBondContact NE2-OG 2.8Å; T504-S514 WeakPolarHBondContact O-CA 3.25Å; S514-I520 CarbonylContact O-C 3.56Å; S514-I520 VanDerWaalsContact O-CA 3.28Å; S514-I520 WeakPolarHBondContact O-CA 3.37Å; S514-K521 PolarHBondContact N-O 2.93Å; S514-K521 PolarHBondContact O-N 2.71Å; S514-K521 PolarHBondContact OG-O 2.76Å; S514-W523 PolarHBondContact OG-NE1 3.09Å
515	G	98.5	Very high	96.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	136.9	-178.6	0	0	0	0	0	112.8	C503 T504	C503-G515 PolarHBondContact N-O 3.45Å; T504-G515 PolarHBondContact O-N 2.77Å
516	S	98.3	Very high	96.3	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.014	17%	0.169	C	C	.	.			trans	-142.9	-154.5	173.9	-165.8	0	0	0	0	110.4	H498 N500 P501 K518 A519 V543	H498-S516 WeakPolarHBondContact ND1-CB 3.46Å; N500-S516 VanDerWaalsContact C-OG 3.3Å; N500-S516 VanDerWaalsContact CB-OG 3.3Å; N500-S516 WeakPolarHBondContact CB-OG 3.46Å; N500-S516 PolarHBondContact O-OG 3.45Å; N500-S516 VanDerWaalsContact O-OG 3.06Å; P501-S516 WeakPolarHBondContact O-CB 3.2Å; P501-S516 PolarHBondContact O-OG 3.37Å; S516-K518 PolarHBondContact O-N 3.32Å; S516-A519 PolarHBondContact N-O 2.86Å; S516-V543 PolarHBondContact O-N 3Å
517	L	97.9	Very high	95.3	Very high	57 Å²	57	33.4 Å²	33.4	30%	0.298	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-69.3	113.3	175.9	-179.3	60.1	0	0	0	110.9	N500 A519 W542	N500-L517 HydrophobicContact CB-CB 3.9Å; N500-L517 WeakPolarHBondContact OD1-CD2 3.14Å; L517-A519 PolarHBondContact O-N 2.94Å; L517-W542 HydrophobicContact CD1-CD2 4.47Å; L517-W542 HydrophobicContact CD1-CG 4.06Å
518	K	97.1	Very high	94.2	Very high	118 Å²	118	37.2 Å²	37.2	51%	0.513	21%	0.208	S	C	.	.	S	Bend	trans	60.9	1.8	174.4	-59.1	-176.9	-175.6	-176.5	0	117.3	S516 L539 N540 H541	S516-K518 PolarHBondContact O-N 3.32Å; K518-L539 WeakPolarHBondContact CB-O 3.41Å; K518-N540 VanDerWaalsContact CE-O 3.28Å; K518-N540 WeakPolarHBondContact CE-O 3.21Å; K518-H541 WeakPolarHBondContact CA-O 3.19Å; K518-H541 PolarHBondContact N-O 3.09Å
519	A	97.1	Very high	93.6	Very high	9 Å²	9	41.5 Å²	41.5	7%	0.074	23%	0.226	C	C	.	.			trans	-135.8	150.1	-178.2	0	0	0	0	0	112.3	S516 L517 E535	S516-A519 PolarHBondContact N-O 2.86Å; L517-A519 PolarHBondContact O-N 2.94Å; A519-E535 HydrophobicContact CB-CG 4.17Å; A519-E535 WeakPolarHBondContact CB-OE1 3.38Å
520	I	98.6	Very high	93.6	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.1	164.8	-56.7	160.4	0	0	0	107.6	F513 S514 L536 L539 V543 L546 S555 W564	F513-I520 HydrophobicContact CB-CG2 4.27Å; S514-I520 CarbonylContact O-C 3.56Å; S514-I520 VanDerWaalsContact O-CA 3.28Å; S514-I520 WeakPolarHBondContact O-CA 3.37Å; I520-L536 HydrophobicContact CB-CB 4.13Å; I520-L536 HydrophobicContact CB-CD1 4.23Å; I520-L536 HydrophobicContact CB-CG 4.28Å; I520-L536 HydrophobicContact CD1-CD1 4.49Å; I520-L536 HydrophobicContact CG2-CD1 4.23Å; I520-L536 PolarHBondContact N-O 3.36Å; I520-L536 PolarHBondContact O-N 3.24Å; I520-L539 HydrophobicContact CD1-CD1 3.87Å; I520-L539 HydrophobicContact CD1-CD2 4.26Å; I520-L539 HydrophobicContact CG1-CD1 3.86Å; I520-V543 HydrophobicContact CD1-CG1 4.23Å; I520-V543 HydrophobicContact CG1-CB 4.44Å; I520-V543 HydrophobicContact CG1-CG1 4.08Å; I520-V543 HydrophobicContact CG1-CG2 4.07Å; I520-L546 HydrophobicContact CD1-CD1 3.92Å; I520-L546 HydrophobicContact CG2-CD2 4.25Å; I520-S555 VanDerWaalsContact CD1-CB 3.42Å; I520-W564 HydrophobicContact CD1-CZ2 4.36Å
521	K	98.5	Very high	93.6	Very high	29 Å²	29	38.9 Å²	38.9	13%	0.126	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.7	174.3	-74.5	178	-176.6	179.8	0	110.2	A497 S514 W523 L532 E535	A497-K521 WeakPolarHBondContact O-CD 3.25Å; A497-K521 PolarHBondContact O-NZ 3.41Å; S514-K521 PolarHBondContact N-O 2.93Å; S514-K521 PolarHBondContact O-N 2.71Å; S514-K521 PolarHBondContact OG-O 2.76Å; K521-W523 HydrophobicContact CB-CZ2 3.93Å; K521-W523 HydrophobicContact CD-CH2 4.38Å; K521-W523 HydrophobicContact CD-CZ2 3.84Å; K521-L532 HydrophobicContact CB-CD1 3.74Å; K521-L532 HydrophobicContact CD-CD1 4.07Å; K521-L532 HydrophobicContact CG-CD1 3.88Å; K521-E535 WeakPolarHBondContact CE-OE2 3.41Å; K521-E535 HydrophobicContact CG-CB 4.37Å; K521-E535 HydrophobicContact CG-CG 3.94Å
522	V	98.1	Very high	93.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.7	177.7	-168.5	0	0	0	0	108.1	M511 F513 K533 K534 L536 L569	M511-V522 HydrophobicContact CB-CG1 3.95Å; M511-V522 HydrophobicContact CG-CG1 4.2Å; M511-V522 HydrophobicContact SD-CG1 3.86Å; F513-V522 HydrophobicContact CD1-CB 4.37Å; F513-V522 HydrophobicContact CD1-CG1 4.02Å; F513-V522 HydrophobicContact CD1-CG2 3.73Å; F513-V522 HydrophobicContact CE1-CB 4.39Å; F513-V522 HydrophobicContact CE1-CG1 3.72Å; F513-V522 HydrophobicContact CE1-CG2 3.81Å; F513-V522 HydrophobicContact CZ-CG1 4.09Å; V522-K533 WeakPolarHBondContact O-CB 3.2Å; V522-K533 PolarHBondContact O-N 2.83Å; V522-K534 HydrophobicContact CB-CB 4.41Å; V522-K534 HydrophobicContact CG2-CB 4.43Å; V522-K534 PolarHBondContact N-O 3.06Å; V522-K534 PolarHBondContact O-N 2.93Å; V522-L536 HydrophobicContact CG2-CD1 4.01Å; V522-L536 HydrophobicContact CG2-CD2 3.9Å; V522-L536 HydrophobicContact CG2-CG 3.82Å; V522-L569 HydrophobicContact CB-CD1 4.44Å; V522-L569 HydrophobicContact CG1-CD1 4.08Å; V522-L569 HydrophobicContact CG1-CD2 4.34Å; V522-L569 HydrophobicContact CG2-CD1 4.36Å; V522-L569 HydrophobicContact CG2-CD2 4.4Å
523	W	97.6	Very high	93.5	Very high	18 Å²	18	48.2 Å²	48.2	7%	0.068	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.8	-179.9	-49.1	85.9	0	0	0	109.9	I495 A497 M511 L512 S514 K521 L530 K531 L532	I495-W523 HydrophobicContact CD1-CD2 3.98Å; I495-W523 HydrophobicContact CD1-CE3 3.77Å; I495-W523 HydrophobicContact CD1-CH2 3.83Å; I495-W523 HydrophobicContact CD1-CZ2 4.02Å; I495-W523 HydrophobicContact CD1-CZ3 3.68Å; A497-W523 HydrophobicContact CB-CH2 4.36Å; A497-W523 HydrophobicContact CB-CZ2 3.7Å; M511-W523 CarbonylContact C-O 3.58Å; M511-W523 WeakPolarHBondContact CA-O 3.47Å; L512-W523 HydrophobicContact CB-CB 4.36Å; L512-W523 PolarHBondContact N-O 3.27Å; L512-W523 PolarHBondContact O-N 3.46Å; S514-W523 PolarHBondContact OG-NE1 3.09Å; K521-W523 HydrophobicContact CB-CZ2 3.93Å; K521-W523 HydrophobicContact CD-CH2 4.38Å; K521-W523 HydrophobicContact CD-CZ2 3.84Å; W523-L530 HydrophobicContact CB-CD2 3.51Å; W523-L530 HydrophobicContact CE3-CB 4.3Å; W523-L530 HydrophobicContact CG-CD2 3.96Å; W523-K531 CarbonylContact C-O 3.49Å; W523-K531 VanDerWaalsContact CA-O 3.27Å; W523-K531 WeakPolarHBondContact CA-O 3.31Å; W523-L532 HydrophobicContact CD2-CD1 4.39Å; W523-L532 HydrophobicContact CE3-CB 3.99Å; W523-L532 HydrophobicContact CE3-CD1 4.38Å; W523-L532 HydrophobicContact CH2-CB 4.38Å; W523-L532 HydrophobicContact CH2-CD1 4.28Å; W523-L532 HydrophobicContact CZ2-CD1 4.3Å; W523-L532 HydrophobicContact CZ3-CB 3.78Å; W523-L532 HydrophobicContact CZ3-CD1 4.33Å
524	D	95.1	Very high	93.4	Very high	53 Å²	53	51 Å²	51	28%	0.283	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.9	162.2	-155.1	-45.6	0	0	0	109.4	V526 K531	D524-V526 WeakPolarHBondContact OD1-CB 3.49Å; D524-V526 WeakPolarHBondContact OD1-CG2 3.42Å; D524-V526 PolarHBondContact OD1-N 3.37Å; D524-K531 PolarHBondContact N-O 3.03Å; D524-K531 PolarHBondContact O-N 3.38Å; D524-K531 VanDerWaalsContact O-N 3.15Å
525	I	93.4	Very high	93.3	Very high	15 Å²	15	55 Å²	55	8%	0.077	29%	0.285	C	S	.	.			trans	-124.3	12.5	178.4	50	170.7	0	0	0	112.9	Q468 Y473 N510 L512 G527 L530	Q468-I525 HydrophobicContact CB-CD1 4.26Å; Q468-I525 HydrophobicContact CG-CD1 4.49Å; Y473-I525 HydrophobicContact CE1-CG2 4.01Å; Y473-I525 HydrophobicContact CE2-CD1 4.37Å; N510-I525 WeakPolarHBondContact O-CG1 3.48Å; N510-I525 PolarHBondContact O-N 2.81Å; L512-I525 HydrophobicContact CB-CG2 4.04Å; I525-G527 VanDerWaalsContact C-N 3.26Å; I525-G527 PolarHBondContact O-N 3.34Å; I525-L530 HydrophobicContact CG2-CD2 3.29Å; I525-L530 HydrophobicContact CG2-CG 4.11Å
526	V	86.6	Confident	93.3	Very high	105 Å²	105	55.2 Å²	55.2	64%	0.636	29%	0.286	S	S	*	.	S	Bend	trans	-73.2	78.8	169.3	-174.7	0	0	0	0	109.7	N510 D524	N510-V526 HydrophobicContact CB-CG2 3.6Å; D524-V526 WeakPolarHBondContact OD1-CB 3.49Å; D524-V526 WeakPolarHBondContact OD1-CG2 3.42Å; D524-V526 PolarHBondContact OD1-N 3.37Å
527	G	78.2	Confident	93	Very high	48 Å²	48	59.4 Å²	59.4	50%	0.495	31%	0.311	S	S	.	.	S	Bend	trans	150.6	-156.7	176.6	0	0	0	0	0	113.8	K471 I525	K471-G527 PolarHBondContact NZ-O 3.02Å; I525-G527 VanDerWaalsContact C-N 3.26Å; I525-G527 PolarHBondContact O-N 3.34Å
528	T	73.1	Confident	92.7	Very high	107 Å²	107	59.5 Å²	59.5	66%	0.656	33%	0.327	S	S	*	.	S	Bend	trans	-86.9	-35.9	173.8	44.9	0	0	0	0	112.5
529	E	82.8	Confident	92.7	Very high	106 Å²	106	54.3 Å²	54.3	50%	0.495	30%	0.304	S	S	.	.	S	Bend	trans	-94.2	143.9	-176.9	-62	174.9	144.2	0	0	112.3	K531	E529-K531 HydrophobicContact CB-CG 4.42Å; E529-K531 WeakPolarHBondContact OE2-CE 3.4Å; E529-K531 IonicContact OE2-NZ 3.43Å; E529-K531 PolarHBondContact OE2-NZ 2.81Å
530	L	90.3	Very high	92.7	Very high	16 Å²	16	57.4 Å²	57.4	8%	0.084	32%	0.32	C	S	.	.			trans	-82.7	117.3	166	-85.2	151.1	0	0	0	109.1	Y473 I481 V483 I495 L512 W523 I525	Y473-L530 HydrophobicContact CD1-CD1 4.28Å; Y473-L530 HydrophobicContact CE1-CD1 4.26Å; Y473-L530 HydrophobicContact CE1-CD2 4.27Å; Y473-L530 HydrophobicContact CE1-CG 4.45Å; I481-L530 HydrophobicContact CG2-CD1 4.21Å; V483-L530 HydrophobicContact CG2-CD1 3.41Å; V483-L530 VanDerWaalsContact CG2-CD1 3.41Å; V483-L530 HydrophobicContact CG2-CG 4.39Å; I495-L530 HydrophobicContact CD1-CB 3.76Å; I495-L530 HydrophobicContact CD1-CD1 3.78Å; I495-L530 HydrophobicContact CD1-CG 4.28Å; I495-L530 HydrophobicContact CG1-CB 4.47Å; I495-L530 HydrophobicContact CG1-CD1 3.92Å; I495-L530 HydrophobicContact CG2-CB 4.34Å; L512-L530 HydrophobicContact CB-CD2 4.3Å; L512-L530 HydrophobicContact CD2-CD2 3.81Å; W523-L530 HydrophobicContact CB-CD2 3.51Å; W523-L530 HydrophobicContact CE3-CB 4.3Å; W523-L530 HydrophobicContact CG-CD2 3.96Å; I525-L530 HydrophobicContact CG2-CD2 3.29Å; I525-L530 HydrophobicContact CG2-CG 4.11Å
531	K	92.4	Very high	92.6	Very high	124 Å²	124	60.4 Å²	60.4	54%	0.539	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.7	-178.5	-69.9	-178.7	176	169.2	0	111.1	W523 D524 E529 K533	W523-K531 CarbonylContact C-O 3.49Å; W523-K531 VanDerWaalsContact CA-O 3.27Å; W523-K531 WeakPolarHBondContact CA-O 3.31Å; D524-K531 PolarHBondContact N-O 3.03Å; D524-K531 PolarHBondContact O-N 3.38Å; D524-K531 VanDerWaalsContact O-N 3.15Å; E529-K531 HydrophobicContact CB-CG 4.42Å; E529-K531 WeakPolarHBondContact OE2-CE 3.4Å; E529-K531 IonicContact OE2-NZ 3.43Å; E529-K531 PolarHBondContact OE2-NZ 2.81Å; K531-K533 PolarHBondContact O-N 2.9Å
532	L	96.2	Very high	92.6	Very high	92 Å²	92	62.1 Å²	62.1	48%	0.482	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	120	179.9	-176.5	62.9	0	0	0	109.9	K521 W523	K521-L532 HydrophobicContact CB-CD1 3.74Å; K521-L532 HydrophobicContact CD-CD1 4.07Å; K521-L532 HydrophobicContact CG-CD1 3.88Å; W523-L532 HydrophobicContact CD2-CD1 4.39Å; W523-L532 HydrophobicContact CE3-CB 3.99Å; W523-L532 HydrophobicContact CE3-CD1 4.38Å; W523-L532 HydrophobicContact CH2-CB 4.38Å; W523-L532 HydrophobicContact CH2-CD1 4.28Å; W523-L532 HydrophobicContact CZ2-CD1 4.3Å; W523-L532 HydrophobicContact CZ3-CB 3.78Å; W523-L532 HydrophobicContact CZ3-CD1 4.33Å
533	K	95.5	Very high	92.6	Very high	114 Å²	114	62.1 Å²	62.1	50%	0.496	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-41.2	-175.8	-178.1	175.6	178.9	174.9	0	112.6	M511 V522 K531	M511-K533 HydrophobicContact CG-CD 4.25Å; M511-K533 HydrophobicContact SD-CD 3.8Å; M511-K533 PolarHBondContact SD-NZ 2.84Å; V522-K533 WeakPolarHBondContact O-CB 3.2Å; V522-K533 PolarHBondContact O-N 2.83Å; K531-K533 PolarHBondContact O-N 2.9Å
534	K	96.8	Very high	92.6	Very high	59 Å²	59	64.4 Å²	64.4	26%	0.257	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	154.8	175.8	-156.3	-179.6	-175.2	-175.1	0	110.1	V522 L536 S568 L569 E570	V522-K534 HydrophobicContact CB-CB 4.41Å; V522-K534 HydrophobicContact CG2-CB 4.43Å; V522-K534 PolarHBondContact N-O 3.06Å; V522-K534 PolarHBondContact O-N 2.93Å; K534-L536 HydrophobicContact CD-CD2 3.93Å; K534-L536 HydrophobicContact CG-CD2 4.28Å; K534-S568 PolarHBondContact NZ-O 3.31Å; K534-L569 HydrophobicContact CB-CD1 3.93Å; K534-L569 HydrophobicContact CD-CB 3.54Å; K534-L569 HydrophobicContact CD-CD1 3.91Å; K534-L569 HydrophobicContact CD-CG 4.39Å; K534-L569 PolarHBondContact NZ-O 2.83Å; K534-E570 IonicContact NZ-OE1 2.61Å; K534-E570 PolarHBondContact NZ-OE1 2.97Å
535	E	97.6	Very high	92.8	Very high	84 Å²	84	62 Å²	62	39%	0.393	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.5	163.9	-169.8	170.3	135	0	0	109.1	A519 K521 T537	A519-E535 HydrophobicContact CB-CG 4.17Å; A519-E535 WeakPolarHBondContact CB-OE1 3.38Å; K521-E535 WeakPolarHBondContact CE-OE2 3.41Å; K521-E535 HydrophobicContact CG-CB 4.37Å; K521-E535 HydrophobicContact CG-CG 3.94Å; E535-T537 HydrophobicContact CG-CG2 4.06Å
536	L	97.6	Very high	93	Very high	3 Å²	3	62 Å²	62	2%	0.016	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.7	177.8	-39.6	-178.2	0	0	0	108	I520 V522 K534 L553 W564 L569	I520-L536 HydrophobicContact CB-CB 4.13Å; I520-L536 HydrophobicContact CB-CD1 4.23Å; I520-L536 HydrophobicContact CB-CG 4.28Å; I520-L536 HydrophobicContact CD1-CD1 4.49Å; I520-L536 HydrophobicContact CG2-CD1 4.23Å; I520-L536 PolarHBondContact N-O 3.36Å; I520-L536 PolarHBondContact O-N 3.24Å; V522-L536 HydrophobicContact CG2-CD1 4.01Å; V522-L536 HydrophobicContact CG2-CD2 3.9Å; V522-L536 HydrophobicContact CG2-CG 3.82Å; K534-L536 HydrophobicContact CD-CD2 3.93Å; K534-L536 HydrophobicContact CG-CD2 4.28Å; L536-L553 HydrophobicContact CD1-CD2 3.85Å; L536-W564 HydrophobicContact CB-CE3 4.18Å; L536-W564 HydrophobicContact CB-CH2 3.75Å; L536-W564 HydrophobicContact CB-CZ2 4.18Å; L536-W564 HydrophobicContact CB-CZ3 3.74Å; L536-W564 HydrophobicContact CD1-CD2 4.04Å; L536-W564 HydrophobicContact CD1-CE3 4.13Å; L536-W564 HydrophobicContact CD1-CG 4.38Å; L536-L569 HydrophobicContact CD2-CB 4.01Å
537	T	92.7	Very high	93.5	Very high	90 Å²	90	58.6 Å²	58.6	55%	0.552	32%	0.315	S	S	*	.			trans	-118	177.5	-169.2	60.3	0	0	0	0	111.8	E535 W564	E535-T537 HydrophobicContact CG-CG2 4.06Å; T537-W564 WeakPolarHBondContact O-CH2 3.39Å
538	G	91.5	Very high	94.4	Very high	60 Å²	60	57.5 Å²	57.5	62%	0.619	30%	0.301	S	S	*	.			trans	79.8	18	-178.4	0	0	0	0	0	114.4	K562	G538-K562 WeakPolarHBondContact O-CE 3.37Å
539	L	96.9	Very high	95.4	Very high	8 Å²	8	54.2 Å²	54.2	4%	0.042	28%	0.283	C	S	.	.			trans	-82.6	143.9	165.4	-60.4	126.5	0	0	0	109.2	K518 I520 V543 K562 W564	K518-L539 WeakPolarHBondContact CB-O 3.41Å; I520-L539 HydrophobicContact CD1-CD1 3.87Å; I520-L539 HydrophobicContact CD1-CD2 4.26Å; I520-L539 HydrophobicContact CG1-CD1 3.86Å; L539-V543 HydrophobicContact CB-CG2 4.34Å; L539-V543 HydrophobicContact CD1-CG2 4Å; L539-V543 HydrophobicContact CD2-CG2 3.85Å; L539-V543 HydrophobicContact CG-CG2 4.28Å; L539-K562 HydrophobicContact CD2-CD 3.95Å; L539-K562 HydrophobicContact CG-CD 4.14Å; L539-W564 HydrophobicContact CD1-CZ2 4.15Å; L539-W564 HydrophobicContact CD2-CZ2 4.17Å; L539-W564 HydrophobicContact CG-CZ2 4.16Å
540	N	96.5	Very high	95.7	Very high	75 Å²	75	57 Å²	57	40%	0.401	30%	0.295	S	S	.	.			trans	-89.2	-17.2	-170.6	63.9	5.1	0	0	0	114.5	K518 S557 Y558	K518-N540 VanDerWaalsContact CE-O 3.28Å; K518-N540 WeakPolarHBondContact CE-O 3.21Å; N540-S557 VanDerWaalsContact OD1-CB 3.27Å; N540-S557 WeakPolarHBondContact OD1-CB 3.2Å; N540-S557 PolarHBondContact OD1-OG 3.44Å; N540-Y558 PolarHBondContact ND2-O 3.01Å; N540-Y558 WeakPolarHBondContact OD1-CB 3.32Å; N540-Y558 PolarHBondContact OD1-N 3.38Å; N540-Y558 PolarHBondContact OD1-O 2.99Å
541	H	97.6	Very high	95.9	Very high	62 Å²	62	59.3 Å²	59.3	29%	0.287	31%	0.308	S	S	.	.	S	Bend	trans	-150.7	-167.8	-170.9	-164.3	-119.5	0	0	0	112	K518 V543 S581	K518-H541 WeakPolarHBondContact CA-O 3.19Å; K518-H541 PolarHBondContact N-O 3.09Å; H541-V543 PolarHBondContact O-N 3.18Å; H541-S581 PolarHBondContact ND1-OG 3.31Å
542	W	98.1	Very high	96.1	Very high	65 Å²	65	55.8 Å²	55.8	25%	0.246	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-57.9	130.9	170.3	-68.6	73.7	0	0	0	111.5	P501 C503 L517 R544	P501-W542 HydrophobicContact CB-CH2 4.43Å; P501-W542 HydrophobicContact CB-CZ3 4Å; P501-W542 HydrophobicContact CG-CH2 4.05Å; P501-W542 HydrophobicContact CG-CZ3 4.12Å; C503-W542 WeakPolarHBondContact SG-CZ3 3.38Å; L517-W542 HydrophobicContact CD1-CD2 4.47Å; L517-W542 HydrophobicContact CD1-CG 4.06Å; W542-R544 HydrophobicContact CB-CG 4.21Å; W542-R544 PolarHBondContact O-N 3.15Å
543	V	98.4	Very high	96.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.271	C	S	.	.			trans	-89.3	98.4	169.6	-171.9	0	0	0	0	108.7	T504 S516 I520 L539 H541 L546 G556	T504-V543 HydrophobicContact CG2-CG1 4.21Å; T504-V543 WeakPolarHBondContact CG2-O 3.39Å; S516-V543 PolarHBondContact O-N 3Å; I520-V543 HydrophobicContact CD1-CG1 4.23Å; I520-V543 HydrophobicContact CG1-CB 4.44Å; I520-V543 HydrophobicContact CG1-CG1 4.08Å; I520-V543 HydrophobicContact CG1-CG2 4.07Å; L539-V543 HydrophobicContact CB-CG2 4.34Å; L539-V543 HydrophobicContact CD1-CG2 4Å; L539-V543 HydrophobicContact CD2-CG2 3.85Å; L539-V543 HydrophobicContact CG-CG2 4.28Å; H541-V543 PolarHBondContact O-N 3.18Å; V543-L546 HydrophobicContact CG1-CD1 4.47Å; V543-G556 WeakPolarHBondContact CA-O 3.43Å
544	R	98.1	Very high	96.4	Very high	66 Å²	66	46.3 Å²	46.3	25%	0.249	25%	0.248	C	C	.	.			trans	-100.3	-35.3	176.4	-60.3	-163.6	-177.9	-64.8	-4.1	112.3	C503 T504 W542 Y583	C503-R544 PolarHBondContact SG-NH1 3.15Å; T504-R544 VanDerWaalsContact CB-O 3.26Å; T504-R544 WeakPolarHBondContact CB-O 3.42Å; T504-R544 PolarHBondContact OG1-O 3.2Å; W542-R544 HydrophobicContact CB-CG 4.21Å; W542-R544 PolarHBondContact O-N 3.15Å; R544-Y583 CarbonylContact C-O 3.53Å
545	A	97.7	Very high	96.4	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.017	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.5	173.6	0	0	0	0	0	111.4	S555 G556 V582 Y583 S584 I585	A545-S555 WeakPolarHBondContact O-CA 3.5Å; A545-G556 PolarHBondContact O-N 3.5Å; A545-V582 HydrophobicContact CB-CG1 3.86Å; A545-Y583 PolarHBondContact N-O 3.39Å; A545-S584 VanDerWaalsContact CB-C 3.49Å; A545-I585 HydrophobicContact CB-CB 4.08Å; A545-I585 HydrophobicContact CB-CD1 3.68Å; A545-I585 HydrophobicContact CB-CG1 3.59Å
546	L	98.1	Very high	96.5	Very high	15 Å²	15	39.5 Å²	39.5	8%	0.079	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	127	173.9	-166.9	67.3	0	0	0	109.6	T504 V506 F513 I520 V543 L553 Y554	T504-L546 HydrophobicContact CG2-CB 3.47Å; T504-L546 VanDerWaalsContact CG2-CB 3.47Å; T504-L546 HydrophobicContact CG2-CD2 4.07Å; T504-L546 HydrophobicContact CG2-CG 4.41Å; T504-L546 WeakPolarHBondContact OG1-CB 3.48Å; V506-L546 HydrophobicContact CG1-CD2 3.93Å; V506-L546 HydrophobicContact CG1-CG 3.77Å; F513-L546 HydrophobicContact CB-CD2 3.86Å; I520-L546 HydrophobicContact CD1-CD1 3.92Å; I520-L546 HydrophobicContact CG2-CD2 4.25Å; V543-L546 HydrophobicContact CG1-CD1 4.47Å; L546-L553 HydrophobicContact CD1-CD1 3.88Å; L546-L553 HydrophobicContact CD1-CD2 4.06Å; L546-L553 HydrophobicContact CD1-CG 3.91Å; L546-L553 HydrophobicContact CG-CD1 4.11Å; L546-Y554 WeakPolarHBondContact CA-O 3.43Å
547	V	97.7	Very high	96.5	Very high	34 Å²	34	39.3 Å²	39.3	21%	0.206	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	148	176.6	63.1	0	0	0	0	110	Y554 I585 V587	V547-Y554 HydrophobicContact CG1-CD2 4.32Å; V547-Y554 HydrophobicContact CG1-CG 4.46Å; V547-Y554 PolarHBondContact N-O 2.99Å; V547-Y554 PolarHBondContact O-N 3.1Å; V547-I585 HydrophobicContact CG1-CB 4.09Å; V547-I585 HydrophobicContact CG1-CG2 3.59Å; V547-V587 HydrophobicContact CG1-CG2 3.77Å
548	A	96.4	Very high	96.7	Very high	26 Å²	26	39.7 Å²	39.7	22%	0.215	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137	178.8	0	0	0	0	0	110.5	V506 L553 I566	V506-A548 HydrophobicContact CG1-CB 4.14Å; V506-A548 HydrophobicContact CG2-CB 3.99Å; A548-L553 HydrophobicContact CB-CD1 4.07Å; A548-I566 HydrophobicContact CB-CD1 4.16Å
549	S	93.7	Very high	97	Very high	38 Å²	38	40.3 Å²	40.3	27%	0.266	20%	0.195	S	C	.	.			trans	-98.3	-165.8	162.7	75.7	0	0	0	0	110	N551 H552 I566	S549-N551 PolarHBondContact OG-N 3.33Å; S549-H552 PolarHBondContact N-O 3.25Å; S549-H552 PolarHBondContact OG-N 3.46Å; S549-H552 VanDerWaalsContact OG-N 3.15Å; S549-H552 PolarHBondContact OG-O 3.21Å; S549-I566 VanDerWaalsContact O-CD1 3.3Å; S549-I566 WeakPolarHBondContact O-CD1 3.23Å
550	Q	90	Very high	97	Very high	163 Å²	163	40.6 Å²	40.6	76%	0.762	20%	0.197	S	C	*	.	S	Bend	trans	-66.4	-38.8	175	-64.4	178.9	0.1	0	0	112.5	H509	H509-Q550 PolarHBondContact CE1-O 3.42Å
551	N	94.3	Very high	97.1	Very high	66 Å²	66	37 Å²	37	35%	0.353	18%	0.178	S	C	.	.	S	Bend	trans	-108.2	-27.8	-175.9	-75.3	-53.5	0	0	0	113.6	S549 I566 R567	S549-N551 PolarHBondContact OG-N 3.33Å; N551-I566 PolarHBondContact O-N 3.44Å; N551-R567 VanDerWaalsContact OD1-CZ 3.31Å; N551-R567 PolarHBondContact OD1-NH1 3.5Å; N551-R567 PolarHBondContact OD1-NH2 3.43Å
552	H	97.1	Very high	97.2	Very high	50 Å²	50	35.6 Å²	35.6	23%	0.231	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138.7	-166.2	-62.3	117.5	0	0	0	113.7	S549 Y554 I563 W564	S549-H552 PolarHBondContact N-O 3.25Å; S549-H552 PolarHBondContact OG-N 3.46Å; S549-H552 VanDerWaalsContact OG-N 3.15Å; S549-H552 PolarHBondContact OG-O 3.21Å; H552-Y554 HydrophobicContact CB-CD2 4.36Å; H552-Y554 HydrophobicContact CB-CE2 3.61Å; H552-Y554 WeakPolarHBondContact O-CE2 3.29Å; H552-I563 HydrophobicContact CB-CG2 3.88Å; H552-W564 CarbonylContact C-O 3.57Å; H552-W564 VanDerWaalsContact CA-O 3.22Å; H552-W564 WeakPolarHBondContact CA-O 3.37Å
553	L	98.3	Very high	97.2	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	138.8	163.7	-173.7	75.5	0	0	0	108.5	V506 F513 L536 L546 A548 I563 W564 I566	V506-L553 HydrophobicContact CG1-CD1 3.71Å; F513-L553 HydrophobicContact CB-CD1 4.22Å; F513-L553 HydrophobicContact CD1-CD1 4.01Å; F513-L553 HydrophobicContact CD1-CD2 3.45Å; F513-L553 VanDerWaalsContact CD1-CD2 3.45Å; F513-L553 HydrophobicContact CD1-CG 4.34Å; F513-L553 HydrophobicContact CD2-CD1 4.27Å; F513-L553 HydrophobicContact CE1-CD1 4.44Å; F513-L553 HydrophobicContact CE1-CD2 3.82Å; F513-L553 HydrophobicContact CG-CD1 3.92Å; F513-L553 HydrophobicContact CG-CD2 4.16Å; L536-L553 HydrophobicContact CD1-CD2 3.85Å; L546-L553 HydrophobicContact CD1-CD1 3.88Å; L546-L553 HydrophobicContact CD1-CD2 4.06Å; L546-L553 HydrophobicContact CD1-CG 3.91Å; L546-L553 HydrophobicContact CG-CD1 4.11Å; A548-L553 HydrophobicContact CB-CD1 4.07Å; L553-I563 WeakPolarHBondContact O-CA 3.24Å; L553-W564 HydrophobicContact CB-CB 4.22Å; L553-W564 HydrophobicContact CD2-CG 4.44Å; L553-W564 PolarHBondContact N-O 3.29Å; L553-W564 PolarHBondContact O-N 2.97Å; L553-I566 HydrophobicContact CB-CG1 4.25Å
554	Y	98.4	Very high	97.2	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.02	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.8	177.4	-55.8	-103.3	0	0	0	108.4	L546 V547 H552 K562 I563 V587 I592	L546-Y554 WeakPolarHBondContact CA-O 3.43Å; V547-Y554 HydrophobicContact CG1-CD2 4.32Å; V547-Y554 HydrophobicContact CG1-CG 4.46Å; V547-Y554 PolarHBondContact N-O 2.99Å; V547-Y554 PolarHBondContact O-N 3.1Å; H552-Y554 HydrophobicContact CB-CD2 4.36Å; H552-Y554 HydrophobicContact CB-CE2 3.61Å; H552-Y554 WeakPolarHBondContact O-CE2 3.29Å; Y554-K562 WeakPolarHBondContact CA-O 3.46Å; Y554-I563 HydrophobicContact CD1-CD1 4.22Å; Y554-I563 HydrophobicContact CD1-CG1 3.91Å; Y554-I563 HydrophobicContact CD1-CG2 4.19Å; Y554-I563 HydrophobicContact CE1-CD1 3.98Å; Y554-I563 HydrophobicContact CE1-CG1 4.11Å; Y554-I563 HydrophobicContact CE1-CG2 3.94Å; Y554-V587 HydrophobicContact CD1-CG2 4.32Å; Y554-V587 HydrophobicContact CD2-CG2 3.76Å; Y554-V587 HydrophobicContact CE1-CG2 4.39Å; Y554-V587 HydrophobicContact CE2-CG1 4.33Å; Y554-V587 HydrophobicContact CE2-CG2 3.86Å; Y554-V587 HydrophobicContact CG-CG2 4.01Å; Y554-I592 HydrophobicContact CD1-CD1 4.11Å; Y554-I592 HydrophobicContact CD1-CG1 4.34Å; Y554-I592 HydrophobicContact CD1-CG2 4.27Å; Y554-I592 HydrophobicContact CE1-CD1 3.61Å; Y554-I592 HydrophobicContact CE1-CG1 3.84Å
555	S	98.6	Very high	97.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.2	-177.5	63.6	0	0	0	0	111.8	I520 A545 I561 K562 W564	I520-S555 VanDerWaalsContact CD1-CB 3.42Å; A545-S555 WeakPolarHBondContact O-CA 3.5Å; S555-I561 WeakPolarHBondContact O-CA 3.41Å; S555-K562 PolarHBondContact N-O 3.14Å; S555-K562 PolarHBondContact O-N 3.49Å; S555-W564 PolarHBondContact OG-NE1 3.26Å
556	G	98.2	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.7	176.9	0	0	0	0	0	111.8	V543 A545 I585	V543-G556 WeakPolarHBondContact CA-O 3.43Å; A545-G556 PolarHBondContact O-N 3.5Å; G556-I585 VanDerWaalsContact N-CD1 3.3Å
557	S	97.6	Very high	96.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.182	C	C	.	.			trans	-126.4	-143.9	169.3	47.8	0	0	0	0	110	N540 T560 V582	N540-S557 VanDerWaalsContact OD1-CB 3.27Å; N540-S557 WeakPolarHBondContact OD1-CB 3.2Å; N540-S557 PolarHBondContact OD1-OG 3.44Å; S557-T560 PolarHBondContact N-O 2.93Å; S557-T560 PolarHBondContact OG-OG1 2.74Å; S557-V582 WeakPolarHBondContact O-CB 3.17Å; S557-V582 PolarHBondContact O-N 3.08Å
558	Y	97.9	Very high	96.7	Very high	98 Å²	98	39.6 Å²	39.6	38%	0.384	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123	177.6	-174.4	-93.2	0	0	0	110.1	N540 T560	N540-Y558 PolarHBondContact ND2-O 3.01Å; N540-Y558 WeakPolarHBondContact OD1-CB 3.32Å; N540-Y558 PolarHBondContact OD1-N 3.38Å; N540-Y558 PolarHBondContact OD1-O 2.99Å; Y558-T560 PolarHBondContact O-N 3.05Å; Y558-T560 PolarHBondContact O-OG1 3.43Å
559	Q	97.3	Very high	96.7	Very high	73 Å²	73	38.8 Å²	38.8	34%	0.341	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.9	21.8	177.9	-69.3	179.1	-21.4	0	0	114.9	T577 G580	Q559-T577 WeakPolarHBondContact CA-O 3.14Å; Q559-T577 WeakPolarHBondContact CA-OG1 3.2Å; Q559-T577 VanDerWaalsContact CB-O 3.22Å; Q559-T577 WeakPolarHBondContact CB-O 3.5Å; Q559-T577 WeakPolarHBondContact CG-O 3.44Å; Q559-T577 PolarHBondContact O-N 3.39Å; Q559-G580 WeakPolarHBondContact CG-O 3.49Å; Q559-G580 PolarHBondContact N-O 3.29Å
560	T	97.8	Very high	96.9	Very high	13 Å²	13	42.2 Å²	42.2	8%	0.08	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	139.5	-169.9	45.6	0	0	0	0	112.5	S557 Y558 V574 L575	S557-T560 PolarHBondContact N-O 2.93Å; S557-T560 PolarHBondContact OG-OG1 2.74Å; Y558-T560 PolarHBondContact O-N 3.05Å; Y558-T560 PolarHBondContact O-OG1 3.43Å; T560-V574 HydrophobicContact CG2-CG1 4.31Å; T560-L575 WeakPolarHBondContact CA-O 3.24Å
561	I	98.4	Very high	97.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.2	164.2	-53	169	0	0	0	108.2	S555 V574 L575 T577 V582 I585 I592 C594 W604	S555-I561 WeakPolarHBondContact O-CA 3.41Å; I561-V574 CarbonylContact O-C 3.53Å; I561-V574 WeakPolarHBondContact O-CA 3.28Å; I561-L575 HydrophobicContact CB-CB 4.22Å; I561-L575 HydrophobicContact CB-CD1 4.36Å; I561-L575 HydrophobicContact CD1-CD1 4.33Å; I561-L575 PolarHBondContact N-O 2.79Å; I561-L575 PolarHBondContact O-N 3.17Å; I561-T577 HydrophobicContact CD1-CG2 4.1Å; I561-T577 HydrophobicContact CG1-CG2 3.88Å; I561-V582 HydrophobicContact CG1-CG2 4.38Å; I561-I585 HydrophobicContact CD1-CD1 4.38Å; I561-I585 HydrophobicContact CD1-CG1 4.45Å; I561-I585 HydrophobicContact CG1-CD1 4.12Å; I561-I585 HydrophobicContact CG2-CD1 3.74Å; I561-I592 HydrophobicContact CD1-CG2 4.43Å; I561-C594 HydrophobicContact CD1-CB 3.65Å; I561-W604 HydrophobicContact CD1-CE3 4.15Å; I561-W604 HydrophobicContact CD1-CH2 3.81Å; I561-W604 HydrophobicContact CD1-CZ3 3.51Å
562	K	98.4	Very high	97.3	Very high	33 Å²	33	37.7 Å²	37.7	14%	0.143	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.6	171.6	-75.3	174.6	165.7	-83.2	0	110.2	G538 L539 Y554 S555 W564 C571 V574	G538-K562 WeakPolarHBondContact O-CE 3.37Å; L539-K562 HydrophobicContact CD2-CD 3.95Å; L539-K562 HydrophobicContact CG-CD 4.14Å; Y554-K562 WeakPolarHBondContact CA-O 3.46Å; S555-K562 PolarHBondContact N-O 3.14Å; S555-K562 PolarHBondContact O-N 3.49Å; K562-W564 HydrophobicContact CB-CZ2 3.89Å; K562-W564 HydrophobicContact CD-CH2 4.08Å; K562-W564 HydrophobicContact CD-CZ2 3.65Å; K562-W564 HydrophobicContact CG-CZ2 4.4Å; K562-C571 PolarHBondContact NZ-SG 3.29Å; K562-V574 HydrophobicContact CG-CG1 4.05Å; K562-V574 HydrophobicContact CG-CG2 4.13Å
563	I	98.2	Very high	97.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.5	174.4	-47.5	-177.2	0	0	0	107.6	H552 L553 Y554 V572 H573 L575 I592 K609	H552-I563 HydrophobicContact CB-CG2 3.88Å; L553-I563 WeakPolarHBondContact O-CA 3.24Å; Y554-I563 HydrophobicContact CD1-CD1 4.22Å; Y554-I563 HydrophobicContact CD1-CG1 3.91Å; Y554-I563 HydrophobicContact CD1-CG2 4.19Å; Y554-I563 HydrophobicContact CE1-CD1 3.98Å; Y554-I563 HydrophobicContact CE1-CG1 4.11Å; Y554-I563 HydrophobicContact CE1-CG2 3.94Å; I563-V572 PolarHBondContact O-N 3.08Å; I563-H573 HydrophobicContact CB-CB 4.18Å; I563-H573 HydrophobicContact CD1-CB 4.22Å; I563-H573 HydrophobicContact CG1-CB 4.38Å; I563-H573 PolarHBondContact N-O 3.26Å; I563-H573 PolarHBondContact O-N 2.87Å; I563-L575 HydrophobicContact CD1-CD1 4.32Å; I563-L575 HydrophobicContact CD1-CG 4.36Å; I563-I592 HydrophobicContact CD1-CD1 3.9Å; I563-K609 HydrophobicContact CD1-CD 4.28Å
564	W	98.3	Very high	97.3	Very high	10 Å²	10	41.4 Å²	41.4	4%	0.038	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.9	-178.2	-37.7	73.7	0	0	0	110	I520 L536 T537 L539 H552 L553 S555 K562 E570 C571	I520-W564 HydrophobicContact CD1-CZ2 4.36Å; L536-W564 HydrophobicContact CB-CE3 4.18Å; L536-W564 HydrophobicContact CB-CH2 3.75Å; L536-W564 HydrophobicContact CB-CZ2 4.18Å; L536-W564 HydrophobicContact CB-CZ3 3.74Å; L536-W564 HydrophobicContact CD1-CD2 4.04Å; L536-W564 HydrophobicContact CD1-CE3 4.13Å; L536-W564 HydrophobicContact CD1-CG 4.38Å; T537-W564 WeakPolarHBondContact O-CH2 3.39Å; L539-W564 HydrophobicContact CD1-CZ2 4.15Å; L539-W564 HydrophobicContact CD2-CZ2 4.17Å; L539-W564 HydrophobicContact CG-CZ2 4.16Å; H552-W564 CarbonylContact C-O 3.57Å; H552-W564 VanDerWaalsContact CA-O 3.22Å; H552-W564 WeakPolarHBondContact CA-O 3.37Å; L553-W564 HydrophobicContact CB-CB 4.22Å; L553-W564 HydrophobicContact CD2-CG 4.44Å; L553-W564 PolarHBondContact N-O 3.29Å; L553-W564 PolarHBondContact O-N 2.97Å; S555-W564 PolarHBondContact OG-NE1 3.26Å; K562-W564 HydrophobicContact CB-CZ2 3.89Å; K562-W564 HydrophobicContact CD-CH2 4.08Å; K562-W564 HydrophobicContact CD-CZ2 3.65Å; K562-W564 HydrophobicContact CG-CZ2 4.4Å; W564-E570 CarbonylContact C-O 3.57Å; W564-E570 WeakPolarHBondContact CA-O 3.36Å; W564-E570 WeakPolarHBondContact CB-O 3.45Å; W564-C571 HydrophobicContact CD2-CB 4.26Å; W564-C571 HydrophobicContact CE3-CB 3.63Å; W564-C571 HydrophobicContact CH2-CB 4.35Å; W564-C571 HydrophobicContact CZ3-CB 3.67Å
565	D	97.3	Very high	97.3	Very high	21 Å²	21	41.4 Å²	41.4	11%	0.112	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	132	169.9	162.2	-88.1	0	0	0	109.8	R567 S568 L569 E570 V572	D565-R567 VanDerWaalsContact C-N 3.3Å; D565-R567 PolarHBondContact O-N 2.91Å; D565-R567 WeakPolarHBondContact OD1-CB 3.29Å; D565-R567 PolarHBondContact OD1-N 3.24Å; D565-R567 IonicContact OD2-CZ 2.8Å; D565-R567 IonicContact OD2-NE 3.95Å; D565-R567 PolarHBondContact OD2-NE 2.87Å; D565-R567 IonicContact OD2-NH2 2.88Å; D565-R567 PolarHBondContact OD2-NH2 3Å; D565-S568 WeakPolarHBondContact CB-OG 3.47Å; D565-S568 WeakPolarHBondContact OD1-CB 3.48Å; D565-S568 PolarHBondContact OD1-N 2.8Å; D565-S568 PolarHBondContact OD1-OG 3.46Å; D565-L569 WeakPolarHBondContact O-CA 3.5Å; D565-L569 PolarHBondContact O-N 2.89Å; D565-E570 PolarHBondContact N-O 3.15Å; D565-E570 VanDerWaalsContact N-O 3.09Å; D565-V572 HydrophobicContact CB-CG2 3.74Å
566	I	95.6	Very high	97.2	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.015	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-22.3	-171.4	-71.4	175.1	0	0	0	112.7	H509 M511 F513 A548 S549 N551 L553 L569	H509-I566 HydrophobicContact CB-CG2 4.11Å; M511-I566 HydrophobicContact CE-CG2 3.77Å; F513-I566 HydrophobicContact CZ-CG2 4.38Å; A548-I566 HydrophobicContact CB-CD1 4.16Å; S549-I566 VanDerWaalsContact O-CD1 3.3Å; S549-I566 WeakPolarHBondContact O-CD1 3.23Å; N551-I566 PolarHBondContact O-N 3.44Å; L553-I566 HydrophobicContact CB-CG1 4.25Å; I566-L569 VanDerWaalsContact O-CD2 3.32Å; I566-L569 WeakPolarHBondContact O-CD2 3.32Å
567	R	94	Very high	97	Very high	170 Å²	170	47.9 Å²	47.9	64%	0.642	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-48.2	-177.2	-68.2	165.7	-72.9	-110.7	-10.9	112.3	N551 D565	N551-R567 VanDerWaalsContact OD1-CZ 3.31Å; N551-R567 PolarHBondContact OD1-NH1 3.5Å; N551-R567 PolarHBondContact OD1-NH2 3.43Å; D565-R567 VanDerWaalsContact C-N 3.3Å; D565-R567 PolarHBondContact O-N 2.91Å; D565-R567 WeakPolarHBondContact OD1-CB 3.29Å; D565-R567 PolarHBondContact OD1-N 3.24Å; D565-R567 IonicContact OD2-CZ 2.8Å; D565-R567 IonicContact OD2-NE 3.95Å; D565-R567 PolarHBondContact OD2-NE 2.87Å; D565-R567 IonicContact OD2-NH2 2.88Å; D565-R567 PolarHBondContact OD2-NH2 3Å
568	S	95.6	Very high	96.8	Very high	59 Å²	59	50.8 Å²	50.8	41%	0.413	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-26.1	177.8	59.1	0	0	0	0	112.8	K534 D565 E570	K534-S568 PolarHBondContact NZ-O 3.31Å; D565-S568 WeakPolarHBondContact CB-OG 3.47Å; D565-S568 WeakPolarHBondContact OD1-CB 3.48Å; D565-S568 PolarHBondContact OD1-N 2.8Å; D565-S568 PolarHBondContact OD1-OG 3.46Å; S568-E570 PolarHBondContact O-N 3.07Å; S568-E570 PolarHBondContact OG-N 3.35Å
569	L	96.3	Very high	96.5	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.052	24%	0.237	C	C	.	.			trans	58.2	33.7	-171.4	-56.4	173.4	0	0	0	112.1	M511 F513 V522 K534 L536 D565 I566	M511-L569 HydrophobicContact SD-CD1 4.38Å; M511-L569 HydrophobicContact SD-CD2 4.47Å; F513-L569 HydrophobicContact CE1-CD2 3.69Å; F513-L569 HydrophobicContact CZ-CD2 4.02Å; V522-L569 HydrophobicContact CB-CD1 4.44Å; V522-L569 HydrophobicContact CG1-CD1 4.08Å; V522-L569 HydrophobicContact CG1-CD2 4.34Å; V522-L569 HydrophobicContact CG2-CD1 4.36Å; V522-L569 HydrophobicContact CG2-CD2 4.4Å; K534-L569 HydrophobicContact CB-CD1 3.93Å; K534-L569 HydrophobicContact CD-CB 3.54Å; K534-L569 HydrophobicContact CD-CD1 3.91Å; K534-L569 HydrophobicContact CD-CG 4.39Å; K534-L569 PolarHBondContact NZ-O 2.83Å; L536-L569 HydrophobicContact CD2-CB 4.01Å; D565-L569 WeakPolarHBondContact O-CA 3.5Å; D565-L569 PolarHBondContact O-N 2.89Å; I566-L569 VanDerWaalsContact O-CD2 3.32Å; I566-L569 WeakPolarHBondContact O-CD2 3.32Å
570	E	96.6	Very high	96.5	Very high	109 Å²	109	42.7 Å²	42.7	51%	0.509	22%	0.222	S	C	.	.			trans	-105.3	151	177.3	-69.4	-54.8	147.4	0	0	112.5	K534 W564 D565 S568 V572	K534-E570 IonicContact NZ-OE1 2.61Å; K534-E570 PolarHBondContact NZ-OE1 2.97Å; W564-E570 CarbonylContact C-O 3.57Å; W564-E570 WeakPolarHBondContact CA-O 3.36Å; W564-E570 WeakPolarHBondContact CB-O 3.45Å; D565-E570 PolarHBondContact N-O 3.15Å; D565-E570 VanDerWaalsContact N-O 3.09Å; S568-E570 PolarHBondContact O-N 3.07Å; S568-E570 PolarHBondContact OG-N 3.35Å; E570-V572 PolarHBondContact O-N 3.06Å
571	C	97.4	Very high	96.5	Very high	46 Å²	46	42.4 Å²	42.4	31%	0.311	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	102.6	179.5	-174	0	0	0	0	110.3	K562 W564	K562-C571 PolarHBondContact NZ-SG 3.29Å; W564-C571 HydrophobicContact CD2-CB 4.26Å; W564-C571 HydrophobicContact CE3-CB 3.63Å; W564-C571 HydrophobicContact CH2-CB 4.35Å; W564-C571 HydrophobicContact CZ3-CB 3.67Å
572	V	96.9	Very high	96.5	Very high	89 Å²	89	42.4 Å²	42.4	54%	0.539	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-36	-177.1	-177.6	0	0	0	0	111.9	I563 D565 E570	I563-V572 PolarHBondContact O-N 3.08Å; D565-V572 HydrophobicContact CB-CG2 3.74Å; E570-V572 PolarHBondContact O-N 3.06Å
573	H	97.2	Very high	96.5	Very high	74 Å²	74	43.5 Å²	43.5	34%	0.343	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	157.6	-174.8	-162.3	80.5	0	0	0	112.7	I563	I563-H573 HydrophobicContact CB-CB 4.18Å; I563-H573 HydrophobicContact CD1-CB 4.22Å; I563-H573 HydrophobicContact CG1-CB 4.38Å; I563-H573 PolarHBondContact N-O 3.26Å; I563-H573 PolarHBondContact O-N 2.87Å
574	V	97.9	Very high	96.5	Very high	54 Å²	54	43.8 Å²	43.8	33%	0.327	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	106	178.2	-166.4	0	0	0	0	110.4	T560 I561 K562	T560-V574 HydrophobicContact CG2-CG1 4.31Å; I561-V574 CarbonylContact O-C 3.53Å; I561-V574 WeakPolarHBondContact O-CA 3.28Å; K562-V574 HydrophobicContact CG-CG1 4.05Å; K562-V574 HydrophobicContact CG-CG2 4.13Å
575	L	97.8	Very high	96.5	Very high	6 Å²	6	44 Å²	44	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	138	170.3	-52.6	172.5	0	0	0	109.2	T560 I561 I563 I592 W604 K609	T560-L575 WeakPolarHBondContact CA-O 3.24Å; I561-L575 HydrophobicContact CB-CB 4.22Å; I561-L575 HydrophobicContact CB-CD1 4.36Å; I561-L575 HydrophobicContact CD1-CD1 4.33Å; I561-L575 PolarHBondContact N-O 2.79Å; I561-L575 PolarHBondContact O-N 3.17Å; I563-L575 HydrophobicContact CD1-CD1 4.32Å; I563-L575 HydrophobicContact CD1-CG 4.36Å; L575-I592 HydrophobicContact CD1-CD1 3.81Å; L575-I592 HydrophobicContact CD1-CG2 4.47Å; L575-W604 HydrophobicContact CD1-CB 4.33Å; L575-W604 HydrophobicContact CD1-CD2 3.95Å; L575-W604 HydrophobicContact CD1-CE3 4.29Å; L575-W604 HydrophobicContact CD1-CG 3.95Å; L575-W604 HydrophobicContact CD2-CG 4.44Å; L575-K609 HydrophobicContact CD2-CB 3.95Å
576	Q	96.6	Very high	96.5	Very high	123 Å²	123	43.2 Å²	43.2	58%	0.575	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	145.9	167.9	-55.6	-54.8	-56.3	0	0	109.7	W604	Q576-W604 WeakPolarHBondContact O-CZ2 3.47Å
577	T	94.4	Very high	96.5	Very high	13 Å²	13	44.6 Å²	44.6	8%	0.08	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	154.7	177	91.1	0	0	0	0	109.5	Q559 I561 V582 W604	Q559-T577 WeakPolarHBondContact CA-O 3.14Å; Q559-T577 WeakPolarHBondContact CA-OG1 3.2Å; Q559-T577 VanDerWaalsContact CB-O 3.22Å; Q559-T577 WeakPolarHBondContact CB-O 3.5Å; Q559-T577 WeakPolarHBondContact CG-O 3.44Å; Q559-T577 PolarHBondContact O-N 3.39Å; I561-T577 HydrophobicContact CD1-CG2 4.1Å; I561-T577 HydrophobicContact CG1-CG2 3.88Å; T577-V582 HydrophobicContact CG2-CG2 4.21Å; T577-W604 HydrophobicContact CG2-CH2 3.43Å; T577-W604 VanDerWaalsContact CG2-CH2 3.43Å; T577-W604 HydrophobicContact CG2-CZ2 3.71Å
578	S	93.9	Very high	96.6	Very high	60 Å²	60	37.1 Å²	37.1	42%	0.42	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-161.8	159	57.9	0	0	0	0	109.2	G580 H602	S578-G580 PolarHBondContact O-N 2.78Å; S578-H602 PolarHBondContact N-NE2 2.69Å; S578-H602 PolarHBondContact O-NE2 2.9Å; S578-H602 PolarHBondContact OG-CE1 3.3Å; S578-H602 PolarHBondContact OG-NE2 2.95Å
579	G	91.8	Very high	96.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.6	9.7	174	0	0	0	0	0	116.2	T596 Y597 E598	G579-T596 WeakPolarHBondContact O-CB 3.35Å; G579-Y597 WeakPolarHBondContact O-CB 3.4Å; G579-Y597 PolarHBondContact O-N 3.47Å; G579-E598 WeakPolarHBondContact CA-OE2 3.19Å; G579-E598 PolarHBondContact N-OE2 3.14Å; G579-E598 PolarHBondContact O-N 2.85Å
580	G	96.1	Very high	96.1	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.3	-127.8	-179.7	0	0	0	0	0	113.5	Q559 S578 E598	Q559-G580 WeakPolarHBondContact CG-O 3.49Å; Q559-G580 PolarHBondContact N-O 3.29Å; S578-G580 PolarHBondContact O-N 2.78Å; G580-E598 PolarHBondContact N-OE2 2.96Å
581	S	97.4	Very high	96.1	Very high	7 Å²	7	41.2 Å²	41.2	5%	0.049	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.6	-179.9	-160.4	0	0	0	0	111.5	H541 Y583 T596 Y597	H541-S581 PolarHBondContact ND1-OG 3.31Å; S581-Y583 WeakPolarHBondContact O-CD2 3.47Å; S581-Y583 PolarHBondContact O-N 2.91Å; S581-T596 CarbonylContact O-C 3.57Å; S581-Y597 PolarHBondContact O-N 2.86Å
582	V	98.4	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	121.5	168.6	-176.7	0	0	0	0	108.6	A545 S557 I561 T577 S584 I585 C594	A545-V582 HydrophobicContact CB-CG1 3.86Å; S557-V582 WeakPolarHBondContact O-CB 3.17Å; S557-V582 PolarHBondContact O-N 3.08Å; I561-V582 HydrophobicContact CG1-CG2 4.38Å; T577-V582 HydrophobicContact CG2-CG2 4.21Å; V582-S584 WeakPolarHBondContact CG1-O 3.49Å; V582-I585 HydrophobicContact CG1-CD1 4.2Å; V582-I585 HydrophobicContact CG1-CG1 3.83Å; V582-C594 HydrophobicContact CG1-CB 3.83Å
583	Y	98.4	Very high	96.2	Very high	55 Å²	55	34.8 Å²	34.8	22%	0.216	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-36.9	179.6	-92.3	-93.2	0	0	0	112.2	R544 A545 S581 G595 Y597 T621 V622 Y623	R544-Y583 CarbonylContact C-O 3.53Å; A545-Y583 PolarHBondContact N-O 3.39Å; S581-Y583 WeakPolarHBondContact O-CD2 3.47Å; S581-Y583 PolarHBondContact O-N 2.91Å; Y583-G595 PolarHBondContact N-O 2.99Å; Y583-Y597 AromaticContact CE2-CD2 3.75Å; Y583-Y597 HydrophobicContact CE2-CD2 3.75Å; Y583-Y597 HydrophobicContact CE2-CG 4.3Å; Y583-T621 HydrophobicContact CD1-CG2 4.07Å; Y583-T621 HydrophobicContact CD2-CG2 3.47Å; Y583-T621 VanDerWaalsContact CD2-CG2 3.47Å; Y583-T621 HydrophobicContact CE1-CG2 4.33Å; Y583-T621 HydrophobicContact CE2-CG2 3.78Å; Y583-T621 HydrophobicContact CG-CG2 3.63Å; Y583-V622 WeakPolarHBondContact CB-O 3.5Å; Y583-Y623 AromaticContact CD1-CD1 3.73Å; Y583-Y623 HydrophobicContact CD1-CD1 3.73Å; Y583-Y623 HydrophobicContact CD1-CE1 4.1Å; Y583-Y623 HydrophobicContact CE1-CD1 4.03Å; Y583-Y623 AromaticContact CE1-CE1 3.93Å; Y583-Y623 HydrophobicContact CE1-CE1 3.93Å; Y583-Y623 HydrophobicContact CG-CD1 4.42Å
584	S	98.2	Very high	96.2	Very high	8 Å²	8	31.2 Å²	31.2	6%	0.056	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.9	-178.4	51.9	0	0	0	0	112.1	A545 V582 C594 G595 V622 L625	A545-S584 VanDerWaalsContact CB-C 3.49Å; V582-S584 WeakPolarHBondContact CG1-O 3.49Å; S584-C594 CarbonylContact O-C 3.59Å; S584-C594 VanDerWaalsContact O-CA 3.25Å; S584-C594 WeakPolarHBondContact O-CA 3.41Å; S584-C594 WeakPolarHBondContact O-CB 3.44Å; S584-G595 PolarHBondContact N-O 3.47Å; S584-G595 PolarHBondContact O-N 2.86Å; S584-G595 WeakPolarHBondContact OG-CA 3.17Å; S584-V622 PolarHBondContact OG-O 2.87Å; S584-L625 WeakPolarHBondContact OG-CG 3.4Å
585	I	98.4	Very high	96.3	Very high	14 Å²	14	28.7 Å²	28.7	7%	0.072	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137	169.2	-65.8	162	0	0	0	107.8	A545 V547 G556 I561 V582 V587 I592 V593 C594	A545-I585 HydrophobicContact CB-CB 4.08Å; A545-I585 HydrophobicContact CB-CD1 3.68Å; A545-I585 HydrophobicContact CB-CG1 3.59Å; V547-I585 HydrophobicContact CG1-CB 4.09Å; V547-I585 HydrophobicContact CG1-CG2 3.59Å; G556-I585 VanDerWaalsContact N-CD1 3.3Å; I561-I585 HydrophobicContact CD1-CD1 4.38Å; I561-I585 HydrophobicContact CD1-CG1 4.45Å; I561-I585 HydrophobicContact CG1-CD1 4.12Å; I561-I585 HydrophobicContact CG2-CD1 3.74Å; V582-I585 HydrophobicContact CG1-CD1 4.2Å; V582-I585 HydrophobicContact CG1-CG1 3.83Å; I585-V587 HydrophobicContact CG2-CG2 4.35Å; I585-I592 HydrophobicContact CG2-CG2 4.29Å; I585-V593 CarbonylContact C-O 3.58Å; I585-V593 VanDerWaalsContact CA-O 3.27Å; I585-V593 WeakPolarHBondContact CA-O 3.33Å; I585-C594 HydrophobicContact CG1-CB 3.79Å
586	A	97.4	Very high	96.3	Very high	5 Å²	5	28.4 Å²	28.4	4%	0.041	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	151.2	165.4	0	0	0	0	0	109.6	V593 L625 V627	A586-V593 PolarHBondContact N-O 2.83Å; A586-V593 PolarHBondContact O-N 3.45Å; A586-V593 VanDerWaalsContact O-O 3.11Å; A586-L625 HydrophobicContact CB-CB 3.76Å; A586-L625 HydrophobicContact CB-CD1 4.37Å; A586-V627 HydrophobicContact CB-CG2 3.68Å
587	V	96.4	Very high	96.3	Very high	32 Å²	32	28.7 Å²	28.7	19%	0.194	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.7	176.4	173.9	0	0	0	0	107.8	V547 Y554 I585 I606	V547-V587 HydrophobicContact CG1-CG2 3.77Å; Y554-V587 HydrophobicContact CD1-CG2 4.32Å; Y554-V587 HydrophobicContact CD2-CG2 3.76Å; Y554-V587 HydrophobicContact CE1-CG2 4.39Å; Y554-V587 HydrophobicContact CE2-CG1 4.33Å; Y554-V587 HydrophobicContact CE2-CG2 3.86Å; Y554-V587 HydrophobicContact CG-CG2 4.01Å; I585-V587 HydrophobicContact CG2-CG2 4.35Å; V587-I606 HydrophobicContact CG1-CD1 3.92Å
588	T	94.6	Very high	96.4	Very high	13 Å²	13	33.1 Å²	33.1	8%	0.08	17%	0.165	C	C	.	.			trans	-107.7	-171.5	176	67.4	0	0	0	0	109.2	H590 H591 I606 V627 T634 V636	T588-H590 VanDerWaalsContact C-N 3.31Å; T588-H590 PolarHBondContact O-N 3.23Å; T588-H591 PolarHBondContact N-O 2.85Å; T588-H591 WeakPolarHBondContact OG1-CA 3.47Å; T588-H591 WeakPolarHBondContact OG1-CB 3.37Å; T588-H591 PolarHBondContact OG1-N 3.37Å; T588-H591 PolarHBondContact OG1-O 3.41Å; T588-I606 WeakPolarHBondContact O-CD1 3.33Å; T588-V627 HydrophobicContact CG2-CG1 3.96Å; T588-V627 HydrophobicContact CG2-CG2 4.2Å; T588-T634 HydrophobicContact CG2-CG2 3.79Å; T588-V636 HydrophobicContact CG2-CG2 4.05Å
589	N	90.8	Very high	96.4	Very high	118 Å²	118	32.8 Å²	32.8	63%	0.631	16%	0.158	S	C	*	.	S	Bend	trans	-66.1	-32.7	175.7	-66.2	-9.3	0	0	0	113.1
590	H	92.4	Very high	96.6	Very high	114 Å²	114	34.6 Å²	34.6	53%	0.528	17%	0.168	S	C	.	.	S	Bend	trans	-121.6	-18.7	-173.2	-55.8	-68.8	0	0	0	114.1	T588 I606	T588-H590 VanDerWaalsContact C-N 3.31Å; T588-H590 PolarHBondContact O-N 3.23Å; H590-I606 WeakPolarHBondContact O-CB 3.36Å; H590-I606 WeakPolarHBondContact O-CG1 3.44Å; H590-I606 PolarHBondContact O-N 2.87Å
591	H	96.1	Very high	96.7	Very high	32 Å²	32	34.6 Å²	34.6	15%	0.148	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.9	-172.4	-54.8	102.4	0	0	0	114.1	T588 V593 V603 W604 M650 M653	T588-H591 PolarHBondContact N-O 2.85Å; T588-H591 WeakPolarHBondContact OG1-CA 3.47Å; T588-H591 WeakPolarHBondContact OG1-CB 3.37Å; T588-H591 PolarHBondContact OG1-N 3.37Å; T588-H591 PolarHBondContact OG1-O 3.41Å; H591-V593 HydrophobicContact CB-CG2 4.31Å; H591-V603 HydrophobicContact CB-CG1 3.87Å; H591-W604 CarbonylContact C-O 3.59Å; H591-W604 WeakPolarHBondContact CA-O 3.38Å; H591-M650 HydrophobicContact CB-CE 4Å; H591-M653 WeakPolarHBondContact CE1-CE 3.36Å; H591-M653 VanDerWaalsContact NE2-CE 3.26Å; H591-M653 WeakPolarHBondContact NE2-CE 3.49Å
592	I	97.8	Very high	96.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.5	163	-51.3	166.9	0	0	0	106.8	Y554 I561 I563 L575 I585 V603 W604 I606	Y554-I592 HydrophobicContact CD1-CD1 4.11Å; Y554-I592 HydrophobicContact CD1-CG1 4.34Å; Y554-I592 HydrophobicContact CD1-CG2 4.27Å; Y554-I592 HydrophobicContact CE1-CD1 3.61Å; Y554-I592 HydrophobicContact CE1-CG1 3.84Å; I561-I592 HydrophobicContact CD1-CG2 4.43Å; I563-I592 HydrophobicContact CD1-CD1 3.9Å; L575-I592 HydrophobicContact CD1-CD1 3.81Å; L575-I592 HydrophobicContact CD1-CG2 4.47Å; I585-I592 HydrophobicContact CG2-CG2 4.29Å; I592-V603 WeakPolarHBondContact O-CA 3.23Å; I592-W604 HydrophobicContact CB-CB 4.44Å; I592-W604 PolarHBondContact N-O 3.29Å; I592-W604 PolarHBondContact O-N 2.88Å; I592-I606 HydrophobicContact CD1-CG1 4.46Å; I592-I606 HydrophobicContact CG1-CG1 3.7Å
593	V	98.3	Very high	96.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.1	-178.5	-173.7	0	0	0	0	109.2	I585 A586 H591 I601 H602 V603 L625 V636 M650	I585-V593 CarbonylContact C-O 3.58Å; I585-V593 VanDerWaalsContact CA-O 3.27Å; I585-V593 WeakPolarHBondContact CA-O 3.33Å; A586-V593 PolarHBondContact N-O 2.83Å; A586-V593 PolarHBondContact O-N 3.45Å; A586-V593 VanDerWaalsContact O-O 3.11Å; H591-V593 HydrophobicContact CB-CG2 4.31Å; V593-I601 HydrophobicContact CG1-CG2 3.44Å; V593-I601 VanDerWaalsContact CG1-CG2 3.44Å; V593-H602 CarbonylContact C-O 3.54Å; V593-H602 VanDerWaalsContact CA-O 3.32Å; V593-H602 WeakPolarHBondContact CA-O 3.31Å; V593-V603 HydrophobicContact CG1-CG2 4.29Å; V593-V603 HydrophobicContact CG2-CG1 4.38Å; V593-V603 HydrophobicContact CG2-CG2 4.3Å; V593-L625 HydrophobicContact CG1-CD1 4.04Å; V593-L625 HydrophobicContact CG1-CD2 4.5Å; V593-V636 HydrophobicContact CG1-CG1 4.4Å; V593-V636 HydrophobicContact CG2-CG2 4.45Å; V593-M650 HydrophobicContact CG2-CE 3.66Å
594	C	98.1	Very high	96.7	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143	175.4	89.8	0	0	0	0	113.3	I561 V582 S584 I585 I601 H602 W604	I561-C594 HydrophobicContact CD1-CB 3.65Å; V582-C594 HydrophobicContact CG1-CB 3.83Å; S584-C594 CarbonylContact O-C 3.59Å; S584-C594 VanDerWaalsContact O-CA 3.25Å; S584-C594 WeakPolarHBondContact O-CA 3.41Å; S584-C594 WeakPolarHBondContact O-CB 3.44Å; I585-C594 HydrophobicContact CG1-CB 3.79Å; C594-I601 CarbonylContact O-C 3.52Å; C594-I601 WeakPolarHBondContact O-CA 3.47Å; C594-H602 PolarHBondContact N-O 3.4Å; C594-H602 PolarHBondContact O-N 3.37Å; C594-W604 HydrophobicContact CB-CZ3 4.14Å
595	G	98.4	Very high	96.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.7	174.4	0	0	0	0	0	110.6	Y583 S584	Y583-G595 PolarHBondContact N-O 2.99Å; S584-G595 PolarHBondContact N-O 3.47Å; S584-G595 PolarHBondContact O-N 2.86Å; S584-G595 WeakPolarHBondContact OG-CA 3.17Å
596	T	98.4	Very high	96.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	173.3	-168.6	69	0	0	0	0	113.2	G579 S581 L600 T621 V622	G579-T596 WeakPolarHBondContact O-CB 3.35Å; S581-T596 CarbonylContact O-C 3.57Å; T596-L600 PolarHBondContact N-O 3.07Å; T596-L600 WeakPolarHBondContact OG1-CB 3.32Å; T596-L600 PolarHBondContact OG1-N 3.15Å; T596-L600 PolarHBondContact OG1-O 3.48Å; T596-T621 WeakPolarHBondContact O-CA 3.39Å; T596-V622 PolarHBondContact O-N 2.94Å
597	Y	97.7	Very high	96.4	Very high	130 Å²	130	42.1 Å²	42.1	51%	0.51	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-45.7	176.5	178.8	-111.2	0	0	0	111.8	G579 S581 Y583 N599 T621	G579-Y597 WeakPolarHBondContact O-CB 3.4Å; G579-Y597 PolarHBondContact O-N 3.47Å; S581-Y597 PolarHBondContact O-N 2.86Å; Y583-Y597 AromaticContact CE2-CD2 3.75Å; Y583-Y597 HydrophobicContact CE2-CD2 3.75Å; Y583-Y597 HydrophobicContact CE2-CG 4.3Å; Y597-N599 PolarHBondContact O-N 3.42Å; Y597-N599 VanDerWaalsContact O-N 3.11Å; Y597-T621 HydrophobicContact CD2-CG2 4.32Å; Y597-T621 WeakPolarHBondContact CD2-OG1 3.48Å; Y597-T621 WeakPolarHBondContact O-CA 3.12Å; Y597-T621 PolarHBondContact O-N 2.88Å; Y597-T621 PolarHBondContact O-OG1 2.95Å
598	E	95.4	Very high	96.3	Very high	106 Å²	106	43.6 Å²	43.6	50%	0.495	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	46.7	-176.5	-49.7	171.5	132.3	0	0	111.7	G579 G580 L600	G579-E598 WeakPolarHBondContact CA-OE2 3.19Å; G579-E598 PolarHBondContact N-OE2 3.14Å; G579-E598 PolarHBondContact O-N 2.85Å; G580-E598 PolarHBondContact N-OE2 2.96Å; E598-L600 PolarHBondContact O-N 3.21Å
599	N	93.8	Very high	96.4	Very high	53 Å²	53	45.3 Å²	45.3	28%	0.283	22%	0.221	S	C	.	.	S	Bend	trans	61.1	-11.6	174.6	81.4	56.4	0	0	0	119.6	Y597 H618 G620	Y597-N599 PolarHBondContact O-N 3.42Å; Y597-N599 VanDerWaalsContact O-N 3.11Å; N599-H618 HydrophobicContact CB-CB 4.21Å; N599-H618 WeakPolarHBondContact CB-O 3.41Å; N599-H618 VanDerWaalsContact CG-O 3.24Å; N599-H618 PolarHBondContact OD1-O 3.24Å; N599-G620 VanDerWaalsContact CA-O 3.24Å; N599-G620 WeakPolarHBondContact CA-O 3.5Å; N599-G620 VanDerWaalsContact CB-O 3.25Å; N599-G620 WeakPolarHBondContact CB-O 3.39Å
600	L	96.6	Very high	96.6	Very high	38 Å²	38	46.5 Å²	46.5	20%	0.199	22%	0.223	C	C	.	.			trans	-69.7	144	-179.2	-54	-177.1	0	0	0	112.3	T596 E598 T614 T616	T596-L600 PolarHBondContact N-O 3.07Å; T596-L600 WeakPolarHBondContact OG1-CB 3.32Å; T596-L600 PolarHBondContact OG1-N 3.15Å; T596-L600 PolarHBondContact OG1-O 3.48Å; E598-L600 PolarHBondContact O-N 3.21Å; L600-T614 HydrophobicContact CB-CG2 3.99Å; L600-T614 HydrophobicContact CD1-CG2 4.37Å; L600-T614 HydrophobicContact CD2-CG2 4.08Å; L600-T614 HydrophobicContact CG-CG2 4.37Å; L600-T616 HydrophobicContact CD2-CG2 4.03Å
601	I	98.3	Very high	96.8	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116	163.3	-60	174.7	0	0	0	108.3	V593 C594 T614 L615 V622 L625 S638 W648	V593-I601 HydrophobicContact CG1-CG2 3.44Å; V593-I601 VanDerWaalsContact CG1-CG2 3.44Å; C594-I601 CarbonylContact O-C 3.52Å; C594-I601 WeakPolarHBondContact O-CA 3.47Å; I601-T614 CarbonylContact O-C 3.5Å; I601-T614 WeakPolarHBondContact O-CA 3.3Å; I601-L615 HydrophobicContact CB-CB 4.18Å; I601-L615 HydrophobicContact CG2-CD1 4.17Å; I601-L615 HydrophobicContact CG2-CG 4.47Å; I601-L615 PolarHBondContact N-O 2.92Å; I601-L615 VanDerWaalsContact N-O 3.11Å; I601-L615 PolarHBondContact O-N 3.24Å; I601-V622 HydrophobicContact CD1-CG1 4.17Å; I601-V622 HydrophobicContact CD1-CG2 4.36Å; I601-V622 HydrophobicContact CG1-CB 4.45Å; I601-V622 HydrophobicContact CG1-CG1 4.12Å; I601-V622 HydrophobicContact CG1-CG2 3.93Å; I601-L625 HydrophobicContact CD1-CD2 4.39Å; I601-S638 VanDerWaalsContact CD1-CB 3.49Å; I601-W648 HydrophobicContact CD1-CZ2 3.82Å
602	H	98.2	Very high	96.8	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	147.1	178.6	-60.8	-62.4	0	0	0	111.4	S578 V593 C594 W604 Q611 T614	S578-H602 PolarHBondContact N-NE2 2.69Å; S578-H602 PolarHBondContact O-NE2 2.9Å; S578-H602 PolarHBondContact OG-CE1 3.3Å; S578-H602 PolarHBondContact OG-NE2 2.95Å; V593-H602 CarbonylContact C-O 3.54Å; V593-H602 VanDerWaalsContact CA-O 3.32Å; V593-H602 WeakPolarHBondContact CA-O 3.31Å; C594-H602 PolarHBondContact N-O 3.4Å; C594-H602 PolarHBondContact O-N 3.37Å; H602-W604 HydrophobicContact CB-CE3 4.23Å; H602-W604 HydrophobicContact CB-CH2 3.17Å; H602-W604 HydrophobicContact CB-CZ2 3.84Å; H602-W604 HydrophobicContact CB-CZ3 3.4Å; H602-W604 AromaticContact CG-CH2 3.91Å; H602-Q611 PolarHBondContact ND1-NE2 2.88Å; H602-Q611 VanDerWaalsContact ND1-NE2 3.19Å; H602-T614 WeakPolarHBondContact ND1-CG2 3.5Å; H602-T614 PolarHBondContact ND1-OG1 2.85Å
603	V	98.1	Very high	96.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.9	-178.7	-175.4	0	0	0	0	109.4	H591 I592 V593 Q611 V612 R613 L615 M650 M653	H591-V603 HydrophobicContact CB-CG1 3.87Å; I592-V603 WeakPolarHBondContact O-CA 3.23Å; V593-V603 HydrophobicContact CG1-CG2 4.29Å; V593-V603 HydrophobicContact CG2-CG1 4.38Å; V593-V603 HydrophobicContact CG2-CG2 4.3Å; V603-Q611 CarbonylContact O-C 3.51Å; V603-V612 PolarHBondContact O-N 2.9Å; V603-R613 PolarHBondContact N-O 2.9Å; V603-R613 PolarHBondContact O-N 2.86Å; V603-L615 HydrophobicContact CG2-CD1 3.95Å; V603-L615 HydrophobicContact CG2-CD2 4.28Å; V603-L615 HydrophobicContact CG2-CG 3.89Å; V603-M650 HydrophobicContact CG1-CE 3.97Å; V603-M650 HydrophobicContact CG2-CE 4.37Å; V603-M653 HydrophobicContact CG1-CE 3.88Å; V603-M653 HydrophobicContact CG1-SD 4.21Å; V603-M653 HydrophobicContact CG2-SD 4.49Å
604	W	98.1	Very high	96.7	Very high	8 Å²	8	55.6 Å²	55.6	3%	0.03	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	152.2	171.2	-60.9	-101.3	0	0	0	110.7	I561 L575 Q576 T577 H591 I592 C594 H602 E610 Q611	I561-W604 HydrophobicContact CD1-CE3 4.15Å; I561-W604 HydrophobicContact CD1-CH2 3.81Å; I561-W604 HydrophobicContact CD1-CZ3 3.51Å; L575-W604 HydrophobicContact CD1-CB 4.33Å; L575-W604 HydrophobicContact CD1-CD2 3.95Å; L575-W604 HydrophobicContact CD1-CE3 4.29Å; L575-W604 HydrophobicContact CD1-CG 3.95Å; L575-W604 HydrophobicContact CD2-CG 4.44Å; Q576-W604 WeakPolarHBondContact O-CZ2 3.47Å; T577-W604 HydrophobicContact CG2-CH2 3.43Å; T577-W604 VanDerWaalsContact CG2-CH2 3.43Å; T577-W604 HydrophobicContact CG2-CZ2 3.71Å; H591-W604 CarbonylContact C-O 3.59Å; H591-W604 WeakPolarHBondContact CA-O 3.38Å; I592-W604 HydrophobicContact CB-CB 4.44Å; I592-W604 PolarHBondContact N-O 3.29Å; I592-W604 PolarHBondContact O-N 2.88Å; C594-W604 HydrophobicContact CB-CZ3 4.14Å; H602-W604 HydrophobicContact CB-CE3 4.23Å; H602-W604 HydrophobicContact CB-CH2 3.17Å; H602-W604 HydrophobicContact CB-CZ2 3.84Å; H602-W604 HydrophobicContact CB-CZ3 3.4Å; H602-W604 AromaticContact CG-CH2 3.91Å; W604-E610 CarbonylContact C-O 3.57Å; W604-E610 WeakPolarHBondContact CA-O 3.46Å; W604-E610 WeakPolarHBondContact CB-O 3.42Å; W604-Q611 HydrophobicContact CG-CB 4.4Å
605	D	96.7	Very high	96.5	Very high	38 Å²	38	55.9 Å²	55.9	20%	0.203	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	146.9	168.1	-177.8	-99	0	0	0	111.4	E607 S608 K609 E610 V612	D605-E607 WeakPolarHBondContact OD1-CA 3.49Å; D605-E607 WeakPolarHBondContact OD1-CB 3.38Å; D605-E607 PolarHBondContact OD1-N 2.86Å; D605-S608 PolarHBondContact OD1-N 2.95Å; D605-K609 WeakPolarHBondContact O-CA 3.4Å; D605-K609 PolarHBondContact O-N 2.82Å; D605-E610 PolarHBondContact N-O 3.36Å; D605-V612 HydrophobicContact CB-CG2 3.84Å
606	I	94.7	Very high	96.4	Very high	33 Å²	33	60.2 Å²	60.2	17%	0.169	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-25.8	-178.4	-80.4	175.6	0	0	0	112.7	V587 T588 H590 I592 K609	V587-I606 HydrophobicContact CG1-CD1 3.92Å; T588-I606 WeakPolarHBondContact O-CD1 3.33Å; H590-I606 WeakPolarHBondContact O-CB 3.36Å; H590-I606 WeakPolarHBondContact O-CG1 3.44Å; H590-I606 PolarHBondContact O-N 2.87Å; I592-I606 HydrophobicContact CD1-CG1 4.46Å; I592-I606 HydrophobicContact CG1-CG1 3.7Å; I606-K609 WeakPolarHBondContact O-CE 3.41Å; I606-K609 PolarHBondContact O-NZ 2.78Å
607	E	94.6	Very high	96	Very high	168 Å²	168	61.6 Å²	61.6	79%	0.785	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-56.1	-176.7	-59.9	-169.9	178.4	0	0	111.1	D605 K609	D605-E607 WeakPolarHBondContact OD1-CA 3.49Å; D605-E607 WeakPolarHBondContact OD1-CB 3.38Å; D605-E607 PolarHBondContact OD1-N 2.86Å; E607-K609 PolarHBondContact O-N 3.06Å
608	S	96	Very high	95.8	Very high	63 Å²	63	55.7 Å²	55.7	44%	0.441	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-23.6	-179	79.2	0	0	0	0	114	D605 E610	D605-S608 PolarHBondContact OD1-N 2.95Å; S608-E610 PolarHBondContact O-N 3.12Å; S608-E610 WeakPolarHBondContact OG-CB 3.44Å; S608-E610 PolarHBondContact OG-N 2.83Å; S608-E610 VanDerWaalsContact OG-N 3.11Å
609	K	95.8	Very high	95.7	Very high	49 Å²	49	56.4 Å²	56.4	21%	0.213	30%	0.299	C	S	.	.			trans	65.5	6.5	-170	-48.2	-53.2	-176.7	-172.1	0	114.9	I563 L575 D605 I606 E607	I563-K609 HydrophobicContact CD1-CD 4.28Å; L575-K609 HydrophobicContact CD2-CB 3.95Å; D605-K609 WeakPolarHBondContact O-CA 3.4Å; D605-K609 PolarHBondContact O-N 2.82Å; I606-K609 WeakPolarHBondContact O-CE 3.41Å; I606-K609 PolarHBondContact O-NZ 2.78Å; E607-K609 PolarHBondContact O-N 3.06Å
610	E	96.1	Very high	95.8	Very high	142 Å²	142	54.5 Å²	54.5	66%	0.664	29%	0.292	S	S	*	.			trans	-77.7	152.9	178.6	-61.2	-176.9	141.6	0	0	111.6	W604 D605 S608 V612	W604-E610 CarbonylContact C-O 3.57Å; W604-E610 WeakPolarHBondContact CA-O 3.46Å; W604-E610 WeakPolarHBondContact CB-O 3.42Å; D605-E610 PolarHBondContact N-O 3.36Å; S608-E610 PolarHBondContact O-N 3.12Å; S608-E610 WeakPolarHBondContact OG-CB 3.44Å; S608-E610 PolarHBondContact OG-N 2.83Å; S608-E610 VanDerWaalsContact OG-N 3.11Å; E610-V612 PolarHBondContact O-N 2.84Å
611	Q	96.6	Very high	95.8	Very high	92 Å²	92	53.1 Å²	53.1	43%	0.43	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	108.2	-179.8	-169.1	176	-16.1	0	0	110.4	H602 V603 W604 T614	H602-Q611 PolarHBondContact ND1-NE2 2.88Å; H602-Q611 VanDerWaalsContact ND1-NE2 3.19Å; V603-Q611 CarbonylContact O-C 3.51Å; W604-Q611 HydrophobicContact CG-CB 4.4Å; Q611-T614 PolarHBondContact NE2-OG1 2.95Å
612	V	95.8	Very high	95.8	Very high	72 Å²	72	53 Å²	53	44%	0.436	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-41.1	-177.4	178.6	0	0	0	0	111.6	V603 D605 E610 M653	V603-V612 PolarHBondContact O-N 2.9Å; D605-V612 HydrophobicContact CB-CG2 3.84Å; E610-V612 PolarHBondContact O-N 2.84Å; V612-M653 HydrophobicContact CG1-CE 4.43Å
613	R	96.1	Very high	95.9	Very high	124 Å²	124	55.3 Å²	55.3	47%	0.468	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	163.6	-179.1	-162.3	162.3	-76.8	-161.3	-5.7	113	V603 L615	V603-R613 PolarHBondContact N-O 2.9Å; V603-R613 PolarHBondContact O-N 2.86Å; R613-L615 HydrophobicContact CB-CD2 4.34Å; R613-L615 HydrophobicContact CG-CD2 4Å
614	T	96.5	Very high	95.9	Very high	49 Å²	49	55.9 Å²	55.9	30%	0.301	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.7	156.1	-57.8	0	0	0	0	108.2	L600 I601 H602 Q611 T616	L600-T614 HydrophobicContact CB-CG2 3.99Å; L600-T614 HydrophobicContact CD1-CG2 4.37Å; L600-T614 HydrophobicContact CD2-CG2 4.08Å; L600-T614 HydrophobicContact CG-CG2 4.37Å; I601-T614 CarbonylContact O-C 3.5Å; I601-T614 WeakPolarHBondContact O-CA 3.3Å; H602-T614 WeakPolarHBondContact ND1-CG2 3.5Å; H602-T614 PolarHBondContact ND1-OG1 2.85Å; Q611-T614 PolarHBondContact NE2-OG1 2.95Å; T614-T616 HydrophobicContact CG2-CG2 4.16Å
615	L	95.9	Very high	95.9	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	132.3	173.9	-38.3	176.5	0	0	0	108.4	I601 V603 R613 W648 M653	I601-L615 HydrophobicContact CB-CB 4.18Å; I601-L615 HydrophobicContact CG2-CD1 4.17Å; I601-L615 HydrophobicContact CG2-CG 4.47Å; I601-L615 PolarHBondContact N-O 2.92Å; I601-L615 VanDerWaalsContact N-O 3.11Å; I601-L615 PolarHBondContact O-N 3.24Å; V603-L615 HydrophobicContact CG2-CD1 3.95Å; V603-L615 HydrophobicContact CG2-CD2 4.28Å; V603-L615 HydrophobicContact CG2-CG 3.89Å; R613-L615 HydrophobicContact CB-CD2 4.34Å; R613-L615 HydrophobicContact CG-CD2 4Å; L615-W648 HydrophobicContact CB-CD2 4.42Å; L615-W648 HydrophobicContact CB-CE3 3.88Å; L615-W648 HydrophobicContact CB-CH2 3.93Å; L615-W648 HydrophobicContact CB-CZ2 4.46Å; L615-W648 HydrophobicContact CB-CZ3 3.61Å; L615-W648 HydrophobicContact CD1-CB 4.33Å; L615-W648 HydrophobicContact CD1-CD2 3.87Å; L615-W648 HydrophobicContact CD1-CE3 3.79Å; L615-W648 HydrophobicContact CD1-CG 4.1Å; L615-W648 HydrophobicContact CD1-CZ3 4.41Å; L615-W648 HydrophobicContact CG-CE3 4.32Å; L615-M653 HydrophobicContact CD2-CB 4.01Å
616	T	94.6	Very high	95.9	Very high	91 Å²	91	55.2 Å²	55.2	56%	0.558	30%	0.297	S	S	*	.			trans	-127.7	158.8	-172.7	54.9	0	0	0	0	111.6	L600 T614 W648	L600-T616 HydrophobicContact CD2-CG2 4.03Å; T614-T616 HydrophobicContact CG2-CG2 4.16Å; T616-W648 WeakPolarHBondContact O-CH2 3.38Å
617	G	89.8	Confident	95.9	Very high	30 Å²	30	55.4 Å²	55.4	31%	0.309	30%	0.3	S	S	.	.			trans	127.7	-5.6	175.6	0	0	0	0	0	115.3	R646	G617-R646 VanDerWaalsContact O-CZ 3.24Å; G617-R646 PolarHBondContact O-NE 2.83Å; G617-R646 VanDerWaalsContact O-NE 3.12Å; G617-R646 PolarHBondContact O-NH2 3.36Å
618	H	94.9	Very high	95.7	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.028	27%	0.269	C	S	.	.			trans	-72.8	152.6	159.2	-83.4	-55.6	0	0	0	110.2	N599 V622 S638 S640 D642 S644	N599-H618 HydrophobicContact CB-CB 4.21Å; N599-H618 WeakPolarHBondContact CB-O 3.41Å; N599-H618 VanDerWaalsContact CG-O 3.24Å; N599-H618 PolarHBondContact OD1-O 3.24Å; H618-V622 HydrophobicContact CB-CG2 4.24Å; H618-S638 PolarHBondContact NE2-OG 3.05Å; H618-S640 WeakPolarHBondContact CE1-CB 3.43Å; H618-S640 WeakPolarHBondContact ND1-CB 3.42Å; H618-D642 VanDerWaalsContact CA-OD2 3.3Å; H618-D642 WeakPolarHBondContact CA-OD2 3.12Å; H618-D642 WeakPolarHBondContact CB-OD2 3.46Å; H618-D642 IonicContact CE1-OD2 3.26Å; H618-D642 IonicContact CG-OD2 3.48Å; H618-D642 IonicContact ND1-OD1 3.97Å; H618-D642 IonicContact ND1-OD2 3.48Å; H618-D642 PolarHBondContact ND1-OD2 2.87Å; H618-S644 PolarHBondContact CE1-OG 2.93Å; H618-S644 PolarHBondContact ND1-OG 3.03Å
619	V	93	Very high	95.1	Very high	120 Å²	120	48.1 Å²	48.1	73%	0.727	27%	0.265	S	S	*	.	S	Bend	trans	-114	26.3	-178.4	-159	0	0	0	0	110.5	D642	V619-D642 HydrophobicContact CB-CB 4.14Å; V619-D642 PolarHBondContact N-OD2 3.27Å
620	G	94.7	Very high	94.2	Very high	13 Å²	13	48.8 Å²	48.8	13%	0.134	27%	0.273	C	S	.	.	S	Bend	trans	177.9	180	177.7	0	0	0	0	0	112.6	N599 V622 S640	N599-G620 VanDerWaalsContact CA-O 3.24Å; N599-G620 WeakPolarHBondContact CA-O 3.5Å; N599-G620 VanDerWaalsContact CB-O 3.25Å; N599-G620 WeakPolarHBondContact CB-O 3.39Å; G620-V622 PolarHBondContact O-N 2.83Å; G620-S640 PolarHBondContact O-OG 2.66Å
621	T	98.2	Very high	93.2	Very high	9 Å²	9	48.2 Å²	48.2	6%	0.055	28%	0.282	C	S	.	.			trans	-51.3	132.1	-175.7	-59.3	0	0	0	0	113.8	Y583 T596 Y597 Y623 S640 Y641	Y583-T621 HydrophobicContact CD1-CG2 4.07Å; Y583-T621 HydrophobicContact CD2-CG2 3.47Å; Y583-T621 VanDerWaalsContact CD2-CG2 3.47Å; Y583-T621 HydrophobicContact CE1-CG2 4.33Å; Y583-T621 HydrophobicContact CE2-CG2 3.78Å; Y583-T621 HydrophobicContact CG-CG2 3.63Å; T596-T621 WeakPolarHBondContact O-CA 3.39Å; Y597-T621 HydrophobicContact CD2-CG2 4.32Å; Y597-T621 WeakPolarHBondContact CD2-OG1 3.48Å; Y597-T621 WeakPolarHBondContact O-CA 3.12Å; Y597-T621 PolarHBondContact O-N 2.88Å; Y597-T621 PolarHBondContact O-OG1 2.95Å; T621-Y623 HydrophobicContact CG2-CD1 3.74Å; T621-Y623 HydrophobicContact CG2-CE1 3.63Å; T621-Y623 HydrophobicContact CG2-CG 4.33Å; T621-Y623 PolarHBondContact O-N 3.3Å; T621-S640 CarbonylContact O-C 3.54Å; T621-S640 VanDerWaalsContact O-CA 3.27Å; T621-S640 WeakPolarHBondContact O-CA 3.39Å; T621-Y641 PolarHBondContact O-N 3.2Å
622	V	98.5	Very high	92.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	86	178.1	-175.3	0	0	0	0	110	Y583 S584 T596 I601 H618 G620 A624 L625 A639	Y583-V622 WeakPolarHBondContact CB-O 3.5Å; S584-V622 PolarHBondContact OG-O 2.87Å; T596-V622 PolarHBondContact O-N 2.94Å; I601-V622 HydrophobicContact CD1-CG1 4.17Å; I601-V622 HydrophobicContact CD1-CG2 4.36Å; I601-V622 HydrophobicContact CG1-CB 4.45Å; I601-V622 HydrophobicContact CG1-CG1 4.12Å; I601-V622 HydrophobicContact CG1-CG2 3.93Å; H618-V622 HydrophobicContact CB-CG2 4.24Å; G620-V622 PolarHBondContact O-N 2.83Å; V622-A624 PolarHBondContact O-N 2.89Å; V622-L625 HydrophobicContact CG1-CD2 4.41Å; V622-L625 HydrophobicContact CG1-CG 4.47Å; V622-A639 CarbonylContact C-O 3.58Å; V622-A639 WeakPolarHBondContact CA-O 3.49Å
623	Y	98.5	Very high	91.6	Very high	48 Å²	48	50.3 Å²	50.3	19%	0.188	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	-37.7	-172.5	-71.6	-57.6	0	0	0	114.4	Y583 T621 A639 Y641 T667	Y583-Y623 AromaticContact CD1-CD1 3.73Å; Y583-Y623 HydrophobicContact CD1-CD1 3.73Å; Y583-Y623 HydrophobicContact CD1-CE1 4.1Å; Y583-Y623 HydrophobicContact CE1-CD1 4.03Å; Y583-Y623 AromaticContact CE1-CE1 3.93Å; Y583-Y623 HydrophobicContact CE1-CE1 3.93Å; Y583-Y623 HydrophobicContact CG-CD1 4.42Å; T621-Y623 HydrophobicContact CG2-CD1 3.74Å; T621-Y623 HydrophobicContact CG2-CE1 3.63Å; T621-Y623 HydrophobicContact CG2-CG 4.33Å; T621-Y623 PolarHBondContact O-N 3.3Å; Y623-A639 PolarHBondContact N-O 3.18Å; Y623-Y641 HydrophobicContact CE2-CD2 4.05Å; Y623-Y641 HydrophobicContact CE2-CG 4.43Å; Y623-Y641 WeakPolarHBondContact OH-CD2 3.33Å; Y623-T667 HydrophobicContact CD2-CG2 3.89Å; Y623-T667 HydrophobicContact CE2-CG2 4.16Å; Y623-T667 HydrophobicContact CG-CG2 4.25Å
624	A	98.3	Very high	91.3	Very high	13 Å²	13	45.3 Å²	45.3	11%	0.107	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	148	-177.1	0	0	0	0	0	112.4	V622 S638 A639 L669	V622-A624 PolarHBondContact O-N 2.89Å; A624-S638 WeakPolarHBondContact O-CA 3.34Å; A624-A639 HydrophobicContact CB-CB 4.23Å; A624-A639 PolarHBondContact N-O 3.3Å; A624-A639 PolarHBondContact O-N 3.33Å; A624-L669 HydrophobicContact CB-CB 4.17Å; A624-L669 HydrophobicContact CB-CD1 4.47Å; A624-L669 HydrophobicContact CB-CG 4.03Å
625	L	98.3	Very high	91.2	Very high	20 Å²	20	43.8 Å²	43.8	11%	0.105	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.2	171.7	-74.4	167.5	0	0	0	109.2	S584 A586 V593 I601 V622 V636 F637	S584-L625 WeakPolarHBondContact OG-CG 3.4Å; A586-L625 HydrophobicContact CB-CB 3.76Å; A586-L625 HydrophobicContact CB-CD1 4.37Å; V593-L625 HydrophobicContact CG1-CD1 4.04Å; V593-L625 HydrophobicContact CG1-CD2 4.5Å; I601-L625 HydrophobicContact CD1-CD2 4.39Å; V622-L625 HydrophobicContact CG1-CD2 4.41Å; V622-L625 HydrophobicContact CG1-CG 4.47Å; L625-V636 HydrophobicContact CD2-CG1 3.76Å; L625-F637 CarbonylContact C-O 3.59Å; L625-F637 VanDerWaalsContact CA-O 3.25Å; L625-F637 WeakPolarHBondContact CA-O 3.3Å
626	A	96.6	Very high	91.2	Very high	11 Å²	11	43.5 Å²	43.5	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	160.2	171.8	0	0	0	0	0	110.9	V636 F637 L669 V671	A626-V636 CarbonylContact O-C 3.51Å; A626-V636 WeakPolarHBondContact O-CA 3.27Å; A626-F637 PolarHBondContact N-O 2.96Å; A626-F637 PolarHBondContact O-N 3.37Å; A626-L669 HydrophobicContact CB-CB 3.89Å; A626-L669 HydrophobicContact CB-CD1 4.24Å; A626-V671 HydrophobicContact CB-CG2 3.83Å
627	V	94.8	Very high	91.3	Very high	38 Å²	38	39.1 Å²	39.1	23%	0.23	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.3	-176.4	-170.3	0	0	0	0	110.4	A586 T588 T634 K635 V636	A586-V627 HydrophobicContact CB-CG2 3.68Å; T588-V627 HydrophobicContact CG2-CG1 3.96Å; T588-V627 HydrophobicContact CG2-CG2 4.2Å; V627-T634 HydrophobicContact CG1-CG2 4Å; V627-K635 WeakPolarHBondContact CA-O 3.46Å; V627-V636 HydrophobicContact CG2-CG2 4.41Å
628	I	90.3	Very high	91.7	Very high	25 Å²	25	37.7 Å²	37.7	13%	0.128	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	113.9	155.6	-66.2	173.6	0	0	0	106.8	F406 T630 K635 F637 V671	F406-I628 HydrophobicContact CE1-CD1 4.45Å; F406-I628 HydrophobicContact CZ-CD1 4.05Å; I628-T630 HydrophobicContact CG2-CG2 4.4Å; I628-K635 PolarHBondContact N-O 2.91Å; I628-K635 PolarHBondContact O-N 3.18Å; I628-F637 HydrophobicContact CB-CE2 3.97Å; I628-F637 HydrophobicContact CD1-CE2 3.61Å; I628-F637 HydrophobicContact CD1-CZ 3.81Å; I628-F637 HydrophobicContact CG1-CE2 3.7Å; I628-F637 HydrophobicContact CG1-CZ 4.4Å; I628-V671 HydrophobicContact CD1-CG1 4.1Å; I628-V671 HydrophobicContact CD1-CG2 4.41Å; I628-V671 HydrophobicContact CG1-CB 4.43Å; I628-V671 HydrophobicContact CG1-CG1 3.48Å; I628-V671 VanDerWaalsContact CG1-CG1 3.48Å; I628-V671 HydrophobicContact CG1-CG2 4.03Å
629	S	84.4	Confident	91.9	Very high	52 Å²	52	37.4 Å²	37.4	36%	0.364	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.6	165.7	-67.5	0	0	0	0	108.9	T634	S629-T634 WeakPolarHBondContact CB-OG1 3.46Å; S629-T634 VanDerWaalsContact OG-CG2 3.3Å; S629-T634 WeakPolarHBondContact OG-CG2 3.23Å; S629-T634 PolarHBondContact OG-OG1 3.12Å
630	T	77	Confident	92.2	Very high	63 Å²	63	31.7 Å²	31.7	39%	0.387	19%	0.186	S	C	.	.			trans	-94.2	173.2	158.2	64.9	0	0	0	0	108.4	I628 D632 Q633	I628-T630 HydrophobicContact CG2-CG2 4.4Å; T630-D632 PolarHBondContact O-N 3.41Å; T630-Q633 PolarHBondContact N-O 3.24Å; T630-Q633 PolarHBondContact OG1-N 3.16Å; T630-Q633 PolarHBondContact OG1-O 2.93Å
631	P	75	Confident	92.3	Very high	131 Å²	131	37.6 Å²	37.6	85%	0.851	21%	0.205	S	C	*	.	S	Bend	trans	-58.1	-32.5	172.6	-25.4	36.8	0	0	0	113.1
632	D	74.1	Confident	92.2	Very high	145 Å²	145	38.8 Å²	38.8	78%	0.775	21%	0.211	S	C	*	.	S	Bend	trans	-99.1	-19.9	-168.4	-34.2	-82.4	0	0	0	114	T630	T630-D632 PolarHBondContact O-N 3.41Å
633	Q	83.9	Confident	92.1	Very high	62 Å²	62	45 Å²	45	29%	0.29	23%	0.234	S	C	.	.			trans	-155.1	139.4	-177.4	171.2	155	80.6	0	0	112.3	T630 K635 S649 D651	T630-Q633 PolarHBondContact N-O 3.24Å; T630-Q633 PolarHBondContact OG1-N 3.16Å; T630-Q633 PolarHBondContact OG1-O 2.93Å; Q633-K635 HydrophobicContact CG-CG 4.11Å; Q633-S649 PolarHBondContact NE2-OG 3.17Å; Q633-D651 WeakPolarHBondContact CG-OD2 3.49Å; Q633-D651 PolarHBondContact NE2-OD2 3.41Å
634	T	91.3	Very high	92	Very high	20 Å²	20	43 Å²	43	12%	0.123	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.6	166.5	-68.2	0	0	0	0	112	T588 V627 S629 M650 D651	T588-T634 HydrophobicContact CG2-CG2 3.79Å; V627-T634 HydrophobicContact CG1-CG2 4Å; S629-T634 WeakPolarHBondContact CB-OG1 3.46Å; S629-T634 VanDerWaalsContact OG-CG2 3.3Å; S629-T634 WeakPolarHBondContact OG-CG2 3.23Å; S629-T634 PolarHBondContact OG-OG1 3.12Å; T634-M650 HydrophobicContact CG2-CB 4.12Å; T634-M650 HydrophobicContact CG2-CG 3.83Å; T634-M650 WeakPolarHBondContact O-CB 3.3Å; T634-M650 PolarHBondContact O-N 3.29Å; T634-D651 PolarHBondContact N-OD1 2.66Å
635	K	92.4	Very high	92	Very high	16 Å²	16	42.4 Å²	42.4	7%	0.07	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.4	172.1	-64.2	179.3	-172.6	171.8	0	110.9	F406 V627 I628 Q633 F637 V647 W648	F406-K635 HydrophobicContact CE2-CD 4.22Å; V627-K635 WeakPolarHBondContact CA-O 3.46Å; I628-K635 PolarHBondContact N-O 2.91Å; I628-K635 PolarHBondContact O-N 3.18Å; Q633-K635 HydrophobicContact CG-CG 4.11Å; K635-F637 HydrophobicContact CB-CE2 3.8Å; K635-F637 HydrophobicContact CB-CZ 4.03Å; K635-F637 HydrophobicContact CD-CZ 4.33Å; K635-V647 HydrophobicContact CD-CG1 4.17Å; K635-W648 CarbonylContact C-O 3.59Å; K635-W648 VanDerWaalsContact CA-O 3.26Å; K635-W648 WeakPolarHBondContact CA-O 3.38Å
636	V	96.4	Very high	91.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.3	165.9	171.7	0	0	0	0	108.8	T588 V593 L625 A626 V627 W648 M650	T588-V636 HydrophobicContact CG2-CG2 4.05Å; V593-V636 HydrophobicContact CG1-CG1 4.4Å; V593-V636 HydrophobicContact CG2-CG2 4.45Å; L625-V636 HydrophobicContact CD2-CG1 3.76Å; A626-V636 CarbonylContact O-C 3.51Å; A626-V636 WeakPolarHBondContact O-CA 3.27Å; V627-V636 HydrophobicContact CG2-CG2 4.41Å; V636-W648 HydrophobicContact CB-CB 4.41Å; V636-W648 PolarHBondContact N-O 2.97Å; V636-W648 PolarHBondContact O-N 2.73Å; V636-M650 HydrophobicContact CB-CG 4.35Å; V636-M650 HydrophobicContact CB-SD 3.94Å; V636-M650 HydrophobicContact CG2-CE 4.41Å; V636-M650 HydrophobicContact CG2-CG 3.67Å; V636-M650 HydrophobicContact CG2-SD 3.53Å; V636-M650 VanDerWaalsContact CG2-SD 3.53Å
637	F	97.6	Very high	91.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.6	175.9	-60.5	-93.8	0	0	0	108.2	F406 L625 A626 I628 K635 R646 V647 L669 L676	F406-F637 HydrophobicContact CD1-CE1 4.41Å; F406-F637 AromaticContact CD2-CE1 3.98Å; F406-F637 HydrophobicContact CD2-CE1 3.98Å; F406-F637 HydrophobicContact CD2-CZ 4.3Å; F406-F637 HydrophobicContact CE1-CE1 4.23Å; F406-F637 HydrophobicContact CE1-CZ 4.17Å; F406-F637 AromaticContact CE2-CE1 3.79Å; F406-F637 HydrophobicContact CE2-CE1 3.79Å; F406-F637 AromaticContact CE2-CZ 3.63Å; F406-F637 HydrophobicContact CE2-CZ 3.63Å; F406-F637 HydrophobicContact CG-CE1 4.3Å; F406-F637 AromaticContact CZ-CE1 3.93Å; F406-F637 HydrophobicContact CZ-CE1 3.93Å; F406-F637 AromaticContact CZ-CZ 3.56Å; F406-F637 HydrophobicContact CZ-CZ 3.56Å; L625-F637 CarbonylContact C-O 3.59Å; L625-F637 VanDerWaalsContact CA-O 3.25Å; L625-F637 WeakPolarHBondContact CA-O 3.3Å; A626-F637 PolarHBondContact N-O 2.96Å; A626-F637 PolarHBondContact O-N 3.37Å; I628-F637 HydrophobicContact CB-CE2 3.97Å; I628-F637 HydrophobicContact CD1-CE2 3.61Å; I628-F637 HydrophobicContact CD1-CZ 3.81Å; I628-F637 HydrophobicContact CG1-CE2 3.7Å; I628-F637 HydrophobicContact CG1-CZ 4.4Å; K635-F637 HydrophobicContact CB-CE2 3.8Å; K635-F637 HydrophobicContact CB-CZ 4.03Å; K635-F637 HydrophobicContact CD-CZ 4.33Å; F637-R646 WeakPolarHBondContact CA-O 3.2Å; F637-V647 HydrophobicContact CD1-CB 4.38Å; F637-V647 HydrophobicContact CD1-CG1 4.17Å; F637-V647 HydrophobicContact CD1-CG2 3.83Å; F637-V647 HydrophobicContact CE1-CB 4.24Å; F637-V647 HydrophobicContact CE1-CG1 3.67Å; F637-V647 HydrophobicContact CE1-CG2 3.72Å; F637-V647 HydrophobicContact CZ-CG1 4.1Å; F637-L669 HydrophobicContact CB-CD1 3.95Å; F637-L669 WeakPolarHBondContact O-CD1 3.33Å; F637-L676 HydrophobicContact CB-CD1 4Å; F637-L676 HydrophobicContact CB-CD2 4.36Å; F637-L676 HydrophobicContact CD1-CD1 4.12Å; F637-L676 HydrophobicContact CD1-CD2 3.46Å; F637-L676 VanDerWaalsContact CD1-CD2 3.46Å; F637-L676 HydrophobicContact CD1-CG 4.34Å; F637-L676 HydrophobicContact CD2-CD1 4.25Å; F637-L676 HydrophobicContact CE1-CD2 3.98Å; F637-L676 HydrophobicContact CG-CD1 3.85Å; F637-L676 HydrophobicContact CG-CD2 4.03Å
638	S	98.5	Very high	91.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	145.8	173.7	59	0	0	0	0	111	I601 H618 A624 L645 R646 W648	I601-S638 VanDerWaalsContact CD1-CB 3.49Å; H618-S638 PolarHBondContact NE2-OG 3.05Å; A624-S638 WeakPolarHBondContact O-CA 3.34Å; S638-L645 CarbonylContact O-C 3.52Å; S638-L645 WeakPolarHBondContact O-CA 3.38Å; S638-L645 WeakPolarHBondContact O-CB 3.32Å; S638-R646 PolarHBondContact N-O 3.41Å; S638-R646 PolarHBondContact O-N 3Å; S638-W648 PolarHBondContact OG-NE1 3.08Å
639	A	98.3	Very high	92	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.8	176.4	0	0	0	0	0	109.8	V622 Y623 A624 V666 L669	V622-A639 CarbonylContact C-O 3.58Å; V622-A639 WeakPolarHBondContact CA-O 3.49Å; Y623-A639 PolarHBondContact N-O 3.18Å; A624-A639 HydrophobicContact CB-CB 4.23Å; A624-A639 PolarHBondContact N-O 3.3Å; A624-A639 PolarHBondContact O-N 3.33Å; A639-V666 CarbonylContact C-O 3.58Å; A639-V666 HydrophobicContact CB-CB 3.8Å; A639-V666 HydrophobicContact CB-CG1 3.59Å; A639-L669 HydrophobicContact CB-CD1 3.81Å; A639-L669 HydrophobicContact CB-CD2 3.9Å; A639-L669 HydrophobicContact CB-CG 3.65Å
640	S	98.4	Very high	92.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	156.8	-167	172.4	0	0	0	0	114.4	H618 G620 T621 D642 R643 S644 V666	H618-S640 WeakPolarHBondContact CE1-CB 3.43Å; H618-S640 WeakPolarHBondContact ND1-CB 3.42Å; G620-S640 PolarHBondContact O-OG 2.66Å; T621-S640 CarbonylContact O-C 3.54Å; T621-S640 VanDerWaalsContact O-CA 3.27Å; T621-S640 WeakPolarHBondContact O-CA 3.39Å; S640-D642 WeakPolarHBondContact CB-OD1 3.43Å; S640-D642 WeakPolarHBondContact CB-OD2 3.26Å; S640-D642 PolarHBondContact O-N 2.76Å; S640-D642 PolarHBondContact OG-N 3.17Å; S640-D642 VanDerWaalsContact OG-N 3.11Å; S640-D642 PolarHBondContact OG-OD1 2.87Å; S640-D642 PolarHBondContact OG-OD2 2.75Å; S640-R643 PolarHBondContact O-N 3.17Å; S640-R643 VanDerWaalsContact O-N 3.17Å; S640-S644 PolarHBondContact N-O 2.77Å; S640-V666 PolarHBondContact N-O 3.45Å; S640-V666 PolarHBondContact O-N 2.92Å
641	Y	98.2	Very high	92.8	Very high	136 Å²	136	40.3 Å²	40.3	53%	0.533	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-35.3	164.6	-178.1	-101	0	0	0	113.2	T621 Y623 R643 S665	T621-Y641 PolarHBondContact O-N 3.2Å; Y623-Y641 HydrophobicContact CE2-CD2 4.05Å; Y623-Y641 HydrophobicContact CE2-CG 4.43Å; Y623-Y641 WeakPolarHBondContact OH-CD2 3.33Å; Y641-R643 PolarHBondContact O-N 2.77Å; Y641-S665 VanDerWaalsContact CD2-OG 3.27Å; Y641-S665 WeakPolarHBondContact CD2-OG 3.15Å; Y641-S665 WeakPolarHBondContact O-CB 3.24Å; Y641-S665 PolarHBondContact O-OG 2.68Å
642	D	96.1	Very high	93.3	Very high	34 Å²	34	38.2 Å²	38.2	18%	0.182	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-0.1	-179.4	64.1	39.6	0	0	0	115.5	H618 V619 S640 S644	H618-D642 VanDerWaalsContact CA-OD2 3.3Å; H618-D642 WeakPolarHBondContact CA-OD2 3.12Å; H618-D642 WeakPolarHBondContact CB-OD2 3.46Å; H618-D642 IonicContact CE1-OD2 3.26Å; H618-D642 IonicContact CG-OD2 3.48Å; H618-D642 IonicContact ND1-OD1 3.97Å; H618-D642 IonicContact ND1-OD2 3.48Å; H618-D642 PolarHBondContact ND1-OD2 2.87Å; V619-D642 HydrophobicContact CB-CB 4.14Å; V619-D642 PolarHBondContact N-OD2 3.27Å; S640-D642 WeakPolarHBondContact CB-OD1 3.43Å; S640-D642 WeakPolarHBondContact CB-OD2 3.26Å; S640-D642 PolarHBondContact O-N 2.76Å; S640-D642 PolarHBondContact OG-N 3.17Å; S640-D642 VanDerWaalsContact OG-N 3.11Å; S640-D642 PolarHBondContact OG-OD1 2.87Å; S640-D642 PolarHBondContact OG-OD2 2.75Å; D642-S644 VanDerWaalsContact C-N 3.27Å; D642-S644 PolarHBondContact O-N 3.43Å; D642-S644 WeakPolarHBondContact OD1-CA 3.49Å; D642-S644 WeakPolarHBondContact OD1-CB 3.44Å; D642-S644 PolarHBondContact OD1-N 3.45Å; D642-S644 PolarHBondContact OD1-OG 3.48Å
643	R	96.8	Very high	94.1	Very high	132 Å²	132	32.2 Å²	32.2	50%	0.498	15%	0.147	S	C	.	.	S	Bend	trans	76.9	1.4	179.6	-42.8	168.2	-76.3	-172.8	-4	114.7	S640 Y641 Q663	S640-R643 PolarHBondContact O-N 3.17Å; S640-R643 VanDerWaalsContact O-N 3.17Å; Y641-R643 PolarHBondContact O-N 2.77Å; R643-Q663 WeakPolarHBondContact CD-O 3.41Å
644	S	95.6	Very high	94.4	Very high	5 Å²	5	33.1 Å²	33.1	4%	0.035	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	160	172.4	76.8	0	0	0	0	112.5	H618 S640 D642 L659	H618-S644 PolarHBondContact CE1-OG 2.93Å; H618-S644 PolarHBondContact ND1-OG 3.03Å; S640-S644 PolarHBondContact N-O 2.77Å; D642-S644 VanDerWaalsContact C-N 3.27Å; D642-S644 PolarHBondContact O-N 3.43Å; D642-S644 WeakPolarHBondContact OD1-CA 3.49Å; D642-S644 WeakPolarHBondContact OD1-CB 3.44Å; D642-S644 PolarHBondContact OD1-N 3.45Å; D642-S644 PolarHBondContact OD1-OG 3.48Å; S644-L659 WeakPolarHBondContact CA-O 3.3Å
645	L	97.8	Very high	94.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	150.3	149.8	-48.6	71.8	0	0	0	108.5	S638 L659 V666 L669 L676 W688	S638-L645 CarbonylContact O-C 3.52Å; S638-L645 WeakPolarHBondContact O-CA 3.38Å; S638-L645 WeakPolarHBondContact O-CB 3.32Å; L645-L659 HydrophobicContact CB-CB 4.05Å; L645-L659 HydrophobicContact CB-CD1 4.22Å; L645-L659 HydrophobicContact CD1-CB 4.23Å; L645-L659 HydrophobicContact CD2-CD1 4.35Å; L645-L659 PolarHBondContact N-O 3.3Å; L645-L659 PolarHBondContact O-N 2.78Å; L645-V666 HydrophobicContact CD1-CG1 4.24Å; L645-V666 HydrophobicContact CD1-CG2 4.03Å; L645-V666 HydrophobicContact CG-CG1 4.24Å; L645-L669 HydrophobicContact CD2-CD2 3.6Å; L645-L669 HydrophobicContact CG-CD2 4.35Å; L645-L676 HydrophobicContact CD2-CD2 3.64Å; L645-W688 HydrophobicContact CD1-CH2 4.26Å; L645-W688 HydrophobicContact CD1-CZ2 3.63Å
646	R	96.9	Very high	94.5	Very high	51 Å²	51	36 Å²	36	19%	0.192	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.9	168.2	-72.4	176.9	173.1	-89.8	3.7	110.4	G617 F637 S638 W648 C655 Q657 T658	G617-R646 VanDerWaalsContact O-CZ 3.24Å; G617-R646 PolarHBondContact O-NE 2.83Å; G617-R646 VanDerWaalsContact O-NE 3.12Å; G617-R646 PolarHBondContact O-NH2 3.36Å; F637-R646 WeakPolarHBondContact CA-O 3.2Å; S638-R646 PolarHBondContact N-O 3.41Å; S638-R646 PolarHBondContact O-N 3Å; R646-W648 HydrophobicContact CB-CZ2 3.8Å; R646-W648 VanDerWaalsContact CD-CZ2 3.47Å; R646-W648 HydrophobicContact CG-CZ2 4.28Å; R646-C655 PolarHBondContact NH1-SG 3.25Å; R646-Q657 WeakPolarHBondContact CA-O 3.22Å; R646-T658 HydrophobicContact CG-CG2 4.19Å; R646-T658 PolarHBondContact NH1-OG1 3.15Å
647	V	95.6	Very high	94.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.3	174.8	-170.8	0	0	0	0	107.1	K635 F637 C655 T656 Q657 L659	K635-V647 HydrophobicContact CD-CG1 4.17Å; F637-V647 HydrophobicContact CD1-CB 4.38Å; F637-V647 HydrophobicContact CD1-CG1 4.17Å; F637-V647 HydrophobicContact CD1-CG2 3.83Å; F637-V647 HydrophobicContact CE1-CB 4.24Å; F637-V647 HydrophobicContact CE1-CG1 3.67Å; F637-V647 HydrophobicContact CE1-CG2 3.72Å; F637-V647 HydrophobicContact CZ-CG1 4.1Å; V647-C655 CarbonylContact O-C 3.52Å; V647-C655 WeakPolarHBondContact O-CA 3.27Å; V647-T656 PolarHBondContact O-N 3.46Å; V647-T656 PolarHBondContact O-OG1 3.47Å; V647-Q657 HydrophobicContact CB-CB 4.01Å; V647-Q657 HydrophobicContact CG2-CB 3.95Å; V647-Q657 PolarHBondContact N-O 2.83Å; V647-Q657 PolarHBondContact O-N 3.14Å; V647-L659 HydrophobicContact CG2-CD1 3.96Å; V647-L659 HydrophobicContact CG2-CG 4.3Å
648	W	95.1	Very high	94.1	Very high	7 Å²	7	40.6 Å²	40.6	3%	0.027	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.1	-178.6	-50.8	89.1	0	0	0	109.3	I601 L615 T616 K635 V636 S638 R646 I654 C655	I601-W648 HydrophobicContact CD1-CZ2 3.82Å; L615-W648 HydrophobicContact CB-CD2 4.42Å; L615-W648 HydrophobicContact CB-CE3 3.88Å; L615-W648 HydrophobicContact CB-CH2 3.93Å; L615-W648 HydrophobicContact CB-CZ2 4.46Å; L615-W648 HydrophobicContact CB-CZ3 3.61Å; L615-W648 HydrophobicContact CD1-CB 4.33Å; L615-W648 HydrophobicContact CD1-CD2 3.87Å; L615-W648 HydrophobicContact CD1-CE3 3.79Å; L615-W648 HydrophobicContact CD1-CG 4.1Å; L615-W648 HydrophobicContact CD1-CZ3 4.41Å; L615-W648 HydrophobicContact CG-CE3 4.32Å; T616-W648 WeakPolarHBondContact O-CH2 3.38Å; K635-W648 CarbonylContact C-O 3.59Å; K635-W648 VanDerWaalsContact CA-O 3.26Å; K635-W648 WeakPolarHBondContact CA-O 3.38Å; V636-W648 HydrophobicContact CB-CB 4.41Å; V636-W648 PolarHBondContact N-O 2.97Å; V636-W648 PolarHBondContact O-N 2.73Å; S638-W648 PolarHBondContact OG-NE1 3.08Å; R646-W648 HydrophobicContact CB-CZ2 3.8Å; R646-W648 VanDerWaalsContact CD-CZ2 3.47Å; R646-W648 HydrophobicContact CG-CZ2 4.28Å; W648-I654 WeakPolarHBondContact CA-O 3.45Å; W648-C655 HydrophobicContact CD2-CB 4.32Å; W648-C655 HydrophobicContact CE3-CB 3.69Å; W648-C655 HydrophobicContact CH2-CB 4.05Å; W648-C655 HydrophobicContact CZ3-CB 3.53Å
649	S	92.2	Very high	93.9	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.7	166.9	174.9	0	0	0	0	108.3	Q633 D651 N652 M653 I654	Q633-S649 PolarHBondContact NE2-OG 3.17Å; S649-D651 VanDerWaalsContact C-N 3.33Å; S649-D651 PolarHBondContact OG-OD2 3.1Å; S649-N652 WeakPolarHBondContact CB-OD1 3.23Å; S649-N652 PolarHBondContact OG-OD1 3.48Å; S649-M653 WeakPolarHBondContact O-CA 3.14Å; S649-M653 PolarHBondContact O-N 2.93Å; S649-I654 PolarHBondContact N-O 2.85Å; S649-I654 PolarHBondContact O-N 2.62Å
650	M	91.2	Very high	93.7	Very high	7 Å²	7	46.5 Å²	46.5	3%	0.034	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-17.5	-178.4	-63.2	-57.2	-67.1	0	0	112.7	H591 V593 V603 T634 V636 N652 M653	H591-M650 HydrophobicContact CB-CE 4Å; V593-M650 HydrophobicContact CG2-CE 3.66Å; V603-M650 HydrophobicContact CG1-CE 3.97Å; V603-M650 HydrophobicContact CG2-CE 4.37Å; T634-M650 HydrophobicContact CG2-CB 4.12Å; T634-M650 HydrophobicContact CG2-CG 3.83Å; T634-M650 WeakPolarHBondContact O-CB 3.3Å; T634-M650 PolarHBondContact O-N 3.29Å; V636-M650 HydrophobicContact CB-CG 4.35Å; V636-M650 HydrophobicContact CB-SD 3.94Å; V636-M650 HydrophobicContact CG2-CE 4.41Å; V636-M650 HydrophobicContact CG2-CG 3.67Å; V636-M650 HydrophobicContact CG2-SD 3.53Å; V636-M650 VanDerWaalsContact CG2-SD 3.53Å; M650-N652 VanDerWaalsContact C-N 3.29Å; M650-N652 PolarHBondContact O-N 3.37Å; M650-M653 HydrophobicContact CE-CE 3.8Å; M650-M653 HydrophobicContact CE-SD 3.62Å; M650-M653 WeakPolarHBondContact O-CE 3.36Å; M650-M653 HydrophobicContact SD-SD 4.12Å
651	D	87.8	Confident	93.4	Very high	97 Å²	97	54.3 Å²	54.3	52%	0.519	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-30.4	-176.6	-31.6	-47.6	0	0	0	111.3	Q633 T634 S649	Q633-D651 WeakPolarHBondContact CG-OD2 3.49Å; Q633-D651 PolarHBondContact NE2-OD2 3.41Å; T634-D651 PolarHBondContact N-OD1 2.66Å; S649-D651 VanDerWaalsContact C-N 3.33Å; S649-D651 PolarHBondContact OG-OD2 3.1Å
652	N	85.9	Confident	93.3	Very high	87 Å²	87	48.3 Å²	48.3	47%	0.465	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	4	179	52.4	-3.1	0	0	0	113.9	S649 M650 I654	S649-N652 WeakPolarHBondContact CB-OD1 3.23Å; S649-N652 PolarHBondContact OG-OD1 3.48Å; M650-N652 VanDerWaalsContact C-N 3.29Å; M650-N652 PolarHBondContact O-N 3.37Å; N652-I654 PolarHBondContact O-N 3.13Å
653	M	91.1	Very high	93.2	Very high	19 Å²	19	53.7 Å²	53.7	9%	0.094	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	46.8	173	-57.1	-72.1	-176.8	0	0	114.6	H591 V603 V612 L615 S649 M650	H591-M653 WeakPolarHBondContact CE1-CE 3.36Å; H591-M653 VanDerWaalsContact NE2-CE 3.26Å; H591-M653 WeakPolarHBondContact NE2-CE 3.49Å; V603-M653 HydrophobicContact CG1-CE 3.88Å; V603-M653 HydrophobicContact CG1-SD 4.21Å; V603-M653 HydrophobicContact CG2-SD 4.49Å; V612-M653 HydrophobicContact CG1-CE 4.43Å; L615-M653 HydrophobicContact CD2-CB 4.01Å; S649-M653 WeakPolarHBondContact O-CA 3.14Å; S649-M653 PolarHBondContact O-N 2.93Å; M650-M653 HydrophobicContact CE-CE 3.8Å; M650-M653 HydrophobicContact CE-SD 3.62Å; M650-M653 WeakPolarHBondContact O-CE 3.36Å; M650-M653 HydrophobicContact SD-SD 4.12Å
654	I	89.3	Confident	93.2	Very high	81 Å²	81	48 Å²	48	42%	0.415	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.6	179.1	59.6	172.1	0	0	0	112.5	W648 S649 N652 T656	W648-I654 WeakPolarHBondContact CA-O 3.45Å; S649-I654 PolarHBondContact N-O 2.85Å; S649-I654 PolarHBondContact O-N 2.62Å; N652-I654 PolarHBondContact O-N 3.13Å; I654-T656 HydrophobicContact CD1-CG2 4.44Å; I654-T656 HydrophobicContact CG1-CG2 4.21Å; I654-T656 PolarHBondContact O-N 3.25Å
655	C	93.4	Very high	93.3	Very high	41 Å²	41	48.4 Å²	48.4	28%	0.277	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	105	168.7	178.2	0	0	0	0	109.5	R646 V647 W648 Q657	R646-C655 PolarHBondContact NH1-SG 3.25Å; V647-C655 CarbonylContact O-C 3.52Å; V647-C655 WeakPolarHBondContact O-CA 3.27Å; W648-C655 HydrophobicContact CD2-CB 4.32Å; W648-C655 HydrophobicContact CE3-CB 3.69Å; W648-C655 HydrophobicContact CH2-CB 4.05Å; W648-C655 HydrophobicContact CZ3-CB 3.53Å; C655-Q657 PolarHBondContact SG-O 3.36Å
656	T	91.4	Very high	93.3	Very high	55 Å²	55	48.4 Å²	48.4	34%	0.337	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-25.3	178.1	54.1	0	0	0	0	112.9	V647 I654	V647-T656 PolarHBondContact O-N 3.46Å; V647-T656 PolarHBondContact O-OG1 3.47Å; I654-T656 HydrophobicContact CD1-CG2 4.44Å; I654-T656 HydrophobicContact CG1-CG2 4.21Å; I654-T656 PolarHBondContact O-N 3.25Å
657	Q	92.5	Very high	93.4	Very high	39 Å²	39	46.4 Å²	46.4	18%	0.182	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	143.4	179	-161.9	-176.7	0.9	0	0	112.6	F406 R646 V647 C655 L659	F406-Q657 PolarHBondContact O-NE2 3.42Å; R646-Q657 WeakPolarHBondContact CA-O 3.22Å; V647-Q657 HydrophobicContact CB-CB 4.01Å; V647-Q657 HydrophobicContact CG2-CB 3.95Å; V647-Q657 PolarHBondContact N-O 2.83Å; V647-Q657 PolarHBondContact O-N 3.14Å; C655-Q657 PolarHBondContact SG-O 3.36Å; Q657-L659 HydrophobicContact CG-CD2 4.12Å; Q657-L659 VanDerWaalsContact NE2-CD2 3.26Å
658	T	94.7	Very high	93.5	Very high	57 Å²	57	46.5 Å²	46.5	35%	0.35	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.1	165.2	-54.1	0	0	0	0	109.7	R646 L660	R646-T658 HydrophobicContact CG-CG2 4.19Å; R646-T658 PolarHBondContact NH1-OG1 3.15Å; T658-L660 HydrophobicContact CG2-CD2 4.37Å; T658-L660 HydrophobicContact CG2-CG 4.25Å
659	L	94.3	Very high	93.6	Very high	6 Å²	6	47 Å²	47	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	110.2	-173.1	-63.3	176.2	0	0	0	110	F406 S644 L645 V647 Q657 L676 W688	F406-L659 HydrophobicContact CB-CD1 4.14Å; F406-L659 HydrophobicContact CB-CD2 4.12Å; F406-L659 WeakPolarHBondContact O-CD2 2.99Å; S644-L659 WeakPolarHBondContact CA-O 3.3Å; L645-L659 HydrophobicContact CB-CB 4.05Å; L645-L659 HydrophobicContact CB-CD1 4.22Å; L645-L659 HydrophobicContact CD1-CB 4.23Å; L645-L659 HydrophobicContact CD2-CD1 4.35Å; L645-L659 PolarHBondContact N-O 3.3Å; L645-L659 PolarHBondContact O-N 2.78Å; V647-L659 HydrophobicContact CG2-CD1 3.96Å; V647-L659 HydrophobicContact CG2-CG 4.3Å; Q657-L659 HydrophobicContact CG-CD2 4.12Å; Q657-L659 VanDerWaalsContact NE2-CD2 3.26Å; L659-L676 HydrophobicContact CD1-CD2 4.43Å; L659-W688 HydrophobicContact CB-CE3 4.26Å; L659-W688 HydrophobicContact CB-CH2 3.76Å; L659-W688 HydrophobicContact CB-CZ2 4.42Å; L659-W688 HydrophobicContact CB-CZ3 3.68Å; L659-W688 HydrophobicContact CD1-CD2 4.16Å; L659-W688 HydrophobicContact CD1-CE3 3.94Å; L659-W688 HydrophobicContact CD1-CZ3 4.24Å; L659-W688 HydrophobicContact CD2-CE3 3.92Å; L659-W688 HydrophobicContact CD2-CZ3 3.83Å; L659-W688 HydrophobicContact CG-CE3 4.27Å; L659-W688 HydrophobicContact CG-CZ3 4.13Å
660	L	92.9	Very high	93.8	Very high	118 Å²	118	47.5 Å²	47.5	62%	0.618	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	95.1	-175.4	-64.1	172.7	0	0	0	110.6	T658	T658-L660 HydrophobicContact CG2-CD2 4.37Å; T658-L660 HydrophobicContact CG2-CG 4.25Å
661	R	93.3	Very high	93.9	Very high	165 Å²	165	49.3 Å²	49.3	62%	0.623	26%	0.258	S	S	*	.			trans	-143.1	-18.3	173.4	-66	-64.1	179.7	-153.3	3	115.5	C408 K686 W688	C408-R661 HydrophobicContact CB-CG 4.01Å; R661-K686 HydrophobicContact CB-CD 3.96Å; R661-K686 WeakPolarHBondContact O-CE 3.37Å; R661-W688 HydrophobicContact CB-CH2 3.58Å; R661-W688 HydrophobicContact CB-CZ2 4.22Å; R661-W688 HydrophobicContact CB-CZ3 4.33Å; R661-W688 HydrophobicContact CG-CH2 3.65Å; R661-W688 HydrophobicContact CG-CZ3 3.9Å
662	H	95.1	Very high	93.9	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.042	24%	0.236	C	C	.	.			trans	-76.4	149.6	173.1	-79.1	-76.7	0	0	0	111.1	G664 V666 S678 A680 D682 K686	H662-G664 WeakPolarHBondContact CB-O 3.39Å; H662-V666 HydrophobicContact CB-CG2 3.87Å; H662-S678 PolarHBondContact CE1-O 2.99Å; H662-S678 PolarHBondContact NE2-O 3.41Å; H662-S678 PolarHBondContact NE2-OG 3.45Å; H662-A680 HydrophobicContact CB-CB 4.2Å; H662-A680 VanDerWaalsContact CE1-CB 3.42Å; H662-A680 WeakPolarHBondContact CE1-CB 3.18Å; H662-A680 WeakPolarHBondContact ND1-CB 3.17Å; H662-D682 VanDerWaalsContact CA-OD2 3.24Å; H662-D682 WeakPolarHBondContact CA-OD2 2.97Å; H662-D682 WeakPolarHBondContact CB-OD2 3.41Å; H662-D682 IonicContact CE1-OD1 3.41Å; H662-D682 IonicContact CG-OD2 2.81Å; H662-D682 IonicContact ND1-OD1 3.56Å; H662-D682 PolarHBondContact ND1-OD1 2.93Å; H662-D682 IonicContact ND1-OD2 2.68Å; H662-D682 PolarHBondContact ND1-OD2 3.34Å; H662-K686 VanDerWaalsContact CE1-CG 3.47Å; H662-K686 WeakPolarHBondContact CE1-CG 3.45Å; H662-K686 WeakPolarHBondContact ND1-CE 3.21Å
663	Q	94.2	Very high	93.8	Very high	148 Å²	148	48 Å²	48	69%	0.692	24%	0.241	S	C	*	.	S	Bend	trans	-96.1	-24.3	177.3	-58.8	-54.9	-48.4	0	0	112.1	R643 D682	R643-Q663 WeakPolarHBondContact CD-O 3.41Å; Q663-D682 HydrophobicContact CB-CB 4.19Å; Q663-D682 PolarHBondContact N-OD2 2.93Å
664	G	96.1	Very high	93.5	Very high	12 Å²	12	48.9 Å²	48.9	12%	0.124	26%	0.255	C	S	.	.	S	Bend	trans	-114.6	168.4	172.5	0	0	0	0	0	111.8	H662	H662-G664 WeakPolarHBondContact CB-O 3.39Å
665	S	98.1	Very high	93.5	Very high	14 Å²	14	46.4 Å²	46.4	10%	0.098	24%	0.24	C	C	.	.			trans	-51.5	137.9	179.5	-57.9	0	0	0	0	112.2	Y641 A680 V681	Y641-S665 VanDerWaalsContact CD2-OG 3.27Å; Y641-S665 WeakPolarHBondContact CD2-OG 3.15Å; Y641-S665 WeakPolarHBondContact O-CB 3.24Å; Y641-S665 PolarHBondContact O-OG 2.68Å; S665-A680 CarbonylContact O-C 3.55Å; S665-A680 VanDerWaalsContact O-CA 3.23Å; S665-A680 WeakPolarHBondContact O-CA 3.31Å; S665-A680 VanDerWaalsContact O-CB 3.25Å; S665-A680 WeakPolarHBondContact O-CB 3.27Å; S665-V681 PolarHBondContact O-N 2.7Å
666	V	98.6	Very high	93.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115.8	-179.8	-166.1	0	0	0	0	108.6	A639 S640 L645 H662 G679	A639-V666 CarbonylContact C-O 3.58Å; A639-V666 HydrophobicContact CB-CB 3.8Å; A639-V666 HydrophobicContact CB-CG1 3.59Å; S640-V666 PolarHBondContact N-O 3.45Å; S640-V666 PolarHBondContact O-N 2.92Å; L645-V666 HydrophobicContact CD1-CG1 4.24Å; L645-V666 HydrophobicContact CD1-CG2 4.03Å; L645-V666 HydrophobicContact CG-CG1 4.24Å; H662-V666 HydrophobicContact CB-CG2 3.87Å; V666-G679 WeakPolarHBondContact CG1-O 3.28Å
667	T	98.4	Very high	93.9	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.049	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-23	-163.7	31.7	0	0	0	0	113.3	V419 W420 Y623 G679 A680 V681	V419-T667 PolarHBondContact O-OG1 2.84Å; W420-T667 HydrophobicContact CE3-CG2 3.91Å; W420-T667 HydrophobicContact CH2-CG2 4.09Å; W420-T667 HydrophobicContact CZ3-CG2 3.62Å; Y623-T667 HydrophobicContact CD2-CG2 3.89Å; Y623-T667 HydrophobicContact CE2-CG2 4.16Å; Y623-T667 HydrophobicContact CG-CG2 4.25Å; T667-G679 PolarHBondContact N-O 3.34Å; T667-G679 PolarHBondContact OG1-O 3.1Å; T667-A680 WeakPolarHBondContact OG1-CA 3.34Å; T667-V681 HydrophobicContact CG2-CG2 3.98Å
668	A	97.9	Very high	94.2	Very high	4 Å²	4	40 Å²	40	3%	0.033	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145	-178.1	0	0	0	0	0	112.2	L422 S678 G679	L422-A668 HydrophobicContact CB-CB 4.4Å; L422-A668 HydrophobicContact CD1-CB 4.4Å; L422-A668 HydrophobicContact CG-CB 3.88Å; A668-S678 CarbonylContact O-C 3.6Å; A668-S678 VanDerWaalsContact O-CA 3.31Å; A668-S678 WeakPolarHBondContact O-CA 3.18Å; A668-G679 PolarHBondContact N-O 3.4Å; A668-G679 VanDerWaalsContact N-O 3.08Å; A668-G679 PolarHBondContact O-N 2.86Å
669	L	98.3	Very high	94.3	Very high	18 Å²	18	37.3 Å²	37.3	9%	0.094	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.2	171.1	-66.9	-179.4	0	0	0	110.7	A624 A626 F637 A639 L645 L676 F677	A624-L669 HydrophobicContact CB-CB 4.17Å; A624-L669 HydrophobicContact CB-CD1 4.47Å; A624-L669 HydrophobicContact CB-CG 4.03Å; A626-L669 HydrophobicContact CB-CB 3.89Å; A626-L669 HydrophobicContact CB-CD1 4.24Å; F637-L669 HydrophobicContact CB-CD1 3.95Å; F637-L669 WeakPolarHBondContact O-CD1 3.33Å; A639-L669 HydrophobicContact CB-CD1 3.81Å; A639-L669 HydrophobicContact CB-CD2 3.9Å; A639-L669 HydrophobicContact CB-CG 3.65Å; L645-L669 HydrophobicContact CD2-CD2 3.6Å; L645-L669 HydrophobicContact CG-CD2 4.35Å; L669-L676 HydrophobicContact CD2-CD1 4.28Å; L669-F677 WeakPolarHBondContact CA-O 3.45Å
670	A	95.9	Very high	94.5	Very high	12 Å²	12	37 Å²	37	10%	0.099	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.2	164.3	0	0	0	0	0	110.6	L422 V424 L431 F677	L422-A670 HydrophobicContact CB-CB 3.65Å; L422-A670 HydrophobicContact CD1-CB 4.29Å; V424-A670 HydrophobicContact CG2-CB 3.95Å; L431-A670 HydrophobicContact CD1-CB 4.39Å; A670-F677 PolarHBondContact N-O 3.31Å; A670-F677 PolarHBondContact O-N 3.49Å
671	V	92.4	Very high	94.8	Very high	45 Å²	45	34.1 Å²	34.1	27%	0.273	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.8	-175.5	161.6	0	0	0	0	109.7	A626 I628 R675 L676	A626-V671 HydrophobicContact CB-CG2 3.83Å; I628-V671 HydrophobicContact CD1-CG1 4.1Å; I628-V671 HydrophobicContact CD1-CG2 4.41Å; I628-V671 HydrophobicContact CG1-CB 4.43Å; I628-V671 HydrophobicContact CG1-CG1 3.48Å; I628-V671 VanDerWaalsContact CG1-CG1 3.48Å; I628-V671 HydrophobicContact CG1-CG2 4.03Å; V671-R675 WeakPolarHBondContact CA-O 3.47Å; V671-L676 HydrophobicContact CG2-CD1 3.7Å
672	S	89.3	Confident	95	Very high	9 Å²	9	28 Å²	28	6%	0.063	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	131.8	170	179.6	0	0	0	0	112.6	V424 G674 R675	V424-S672 VanDerWaalsContact CG1-CB 3.49Å; S672-G674 VanDerWaalsContact C-N 3.33Å; S672-G674 PolarHBondContact O-N 3.47Å; S672-R675 PolarHBondContact N-O 3.29Å; S672-R675 VanDerWaalsContact O-CB 3.31Å; S672-R675 WeakPolarHBondContact O-CB 3.4Å; S672-R675 PolarHBondContact O-N 3.36Å
673	R	83.8	Confident	95.1	Very high	148 Å²	148	29 Å²	29	56%	0.558	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	48.3	177.7	-55.5	-175.4	-171.7	165.8	10.3	113.1	S426 D429 R675	S426-R673 PolarHBondContact O-NH2 2.9Å; D429-R673 VanDerWaalsContact CG-CZ 3.42Å; D429-R673 IonicContact OD1-CZ 3.83Å; D429-R673 IonicContact OD1-NE 3.69Å; D429-R673 IonicContact OD1-NH1 3.11Å; D429-R673 PolarHBondContact OD1-NH1 3.28Å; D429-R673 IonicContact OD1-NH2 3.42Å; D429-R673 PolarHBondContact OD1-NH2 2.71Å; D429-R673 VanDerWaalsContact OD1-NH2 3.14Å; D429-R673 IonicContact OD2-CZ 3.69Å; D429-R673 IonicContact OD2-NH1 3.31Å; D429-R673 PolarHBondContact OD2-NH1 3.45Å; D429-R673 IonicContact OD2-NH2 2.68Å; D429-R673 PolarHBondContact OD2-NH2 3.17Å; R673-R675 PolarHBondContact O-N 3.3Å
674	G	84.1	Confident	95.3	Very high	38 Å²	38	22.8 Å²	22.8	39%	0.392	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	-5	-178.1	0	0	0	0	0	115.6	S672	S672-G674 VanDerWaalsContact C-N 3.33Å; S672-G674 PolarHBondContact O-N 3.47Å
675	R	89.8	Confident	95.4	Very high	28 Å²	28	22.3 Å²	22.3	11%	0.106	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	141.2	180	-48.6	178.2	-70.4	179.7	2.8	110.3	D429 T445 C446 V671 S672 R673 F677 T689	D429-R675 IonicContact OD1-NH2 2.71Å; T445-R675 PolarHBondContact O-NH1 3.21Å; T445-R675 PolarHBondContact OG1-NH2 3.07Å; C446-R675 PolarHBondContact SG-NH1 3.09Å; C446-R675 VanDerWaalsContact SG-NH1 3.35Å; C446-R675 PolarHBondContact SG-NH2 3.01Å; V671-R675 WeakPolarHBondContact CA-O 3.47Å; S672-R675 PolarHBondContact N-O 3.29Å; S672-R675 VanDerWaalsContact O-CB 3.31Å; S672-R675 WeakPolarHBondContact O-CB 3.4Å; S672-R675 PolarHBondContact O-N 3.36Å; R673-R675 PolarHBondContact O-N 3.3Å; R675-F677 HydrophobicContact CB-CE2 4.03Å; R675-F677 HydrophobicContact CB-CZ 4.25Å; R675-T689 HydrophobicContact CB-CG2 4.18Å; R675-T689 HydrophobicContact CG-CG2 3.76Å
676	L	94.9	Very high	95.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	138	173.4	-179.8	75.6	0	0	0	109.2	F406 F637 L645 L659 L669 V671 W688	F406-L676 HydrophobicContact CE1-CB 4.43Å; F637-L676 HydrophobicContact CB-CD1 4Å; F637-L676 HydrophobicContact CB-CD2 4.36Å; F637-L676 HydrophobicContact CD1-CD1 4.12Å; F637-L676 HydrophobicContact CD1-CD2 3.46Å; F637-L676 VanDerWaalsContact CD1-CD2 3.46Å; F637-L676 HydrophobicContact CD1-CG 4.34Å; F637-L676 HydrophobicContact CD2-CD1 4.25Å; F637-L676 HydrophobicContact CE1-CD2 3.98Å; F637-L676 HydrophobicContact CG-CD1 3.85Å; F637-L676 HydrophobicContact CG-CD2 4.03Å; L645-L676 HydrophobicContact CD2-CD2 3.64Å; L659-L676 HydrophobicContact CD1-CD2 4.43Å; L669-L676 HydrophobicContact CD2-CD1 4.28Å; V671-L676 HydrophobicContact CG2-CD1 3.7Å; L676-W688 HydrophobicContact CB-CB 4.24Å; L676-W688 HydrophobicContact CD2-CG 4.41Å; L676-W688 PolarHBondContact N-O 3.32Å; L676-W688 PolarHBondContact O-N 3.33Å
677	F	96.9	Very high	95.1	Very high	1 Å²	1	22.7 Å²	22.7	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138	174.3	-59.6	-89.1	0	0	0	109	F412 L422 V424 L431 T445 L669 A670 R675 K686 V687	F412-F677 HydrophobicContact CE2-CD1 4.28Å; F412-F677 HydrophobicContact CE2-CE1 4.19Å; L422-F677 HydrophobicContact CD1-CB 3.92Å; L422-F677 WeakPolarHBondContact CD1-O 3.28Å; V424-F677 HydrophobicContact CG2-CD2 4.26Å; V424-F677 HydrophobicContact CG2-CE2 4.45Å; L431-F677 HydrophobicContact CD1-CB 4.32Å; L431-F677 HydrophobicContact CD1-CG 4.32Å; L431-F677 HydrophobicContact CD2-CB 4.14Å; L431-F677 HydrophobicContact CD2-CD1 3.62Å; L431-F677 HydrophobicContact CD2-CE1 4.24Å; L431-F677 HydrophobicContact CD2-CG 3.98Å; T445-F677 HydrophobicContact CG2-CE1 3.79Å; T445-F677 HydrophobicContact CG2-CZ 3.79Å; L669-F677 WeakPolarHBondContact CA-O 3.45Å; A670-F677 PolarHBondContact N-O 3.31Å; A670-F677 PolarHBondContact O-N 3.49Å; R675-F677 HydrophobicContact CB-CE2 4.03Å; R675-F677 HydrophobicContact CB-CZ 4.25Å; F677-K686 WeakPolarHBondContact CA-O 3.23Å; F677-V687 HydrophobicContact CD1-CB 4.43Å; F677-V687 HydrophobicContact CD1-CG1 4.21Å; F677-V687 HydrophobicContact CD1-CG2 3.91Å; F677-V687 HydrophobicContact CE1-CB 4.35Å; F677-V687 HydrophobicContact CE1-CG1 3.78Å; F677-V687 HydrophobicContact CE1-CG2 3.85Å; F677-V687 HydrophobicContact CZ-CG1 4.38Å
678	S	98.5	Very high	94.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	124.9	-179.3	63.4	0	0	0	0	113	H662 A668 V685 K686 W688	H662-S678 PolarHBondContact CE1-O 2.99Å; H662-S678 PolarHBondContact NE2-O 3.41Å; H662-S678 PolarHBondContact NE2-OG 3.45Å; A668-S678 CarbonylContact O-C 3.6Å; A668-S678 VanDerWaalsContact O-CA 3.31Å; A668-S678 WeakPolarHBondContact O-CA 3.18Å; S678-V685 CarbonylContact O-C 3.56Å; S678-V685 VanDerWaalsContact O-CA 3.22Å; S678-V685 WeakPolarHBondContact O-CA 3.29Å; S678-K686 PolarHBondContact N-O 2.9Å; S678-K686 PolarHBondContact O-N 3.4Å; S678-W688 PolarHBondContact OG-NE1 3.05Å
679	G	98.4	Very high	94.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	146	175.1	0	0	0	0	0	110.7	V666 T667 A668	V666-G679 WeakPolarHBondContact CG1-O 3.28Å; T667-G679 PolarHBondContact N-O 3.34Å; T667-G679 PolarHBondContact OG1-O 3.1Å; A668-G679 PolarHBondContact N-O 3.4Å; A668-G679 VanDerWaalsContact N-O 3.08Å; A668-G679 PolarHBondContact O-N 2.86Å
680	A	98.6	Very high	93.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	170.6	-173.6	0	0	0	0	0	113.9	V419 H662 S665 T667 D682 S683 T684	V419-A680 PolarHBondContact N-O 3.16Å; H662-A680 HydrophobicContact CB-CB 4.2Å; H662-A680 VanDerWaalsContact CE1-CB 3.42Å; H662-A680 WeakPolarHBondContact CE1-CB 3.18Å; H662-A680 WeakPolarHBondContact ND1-CB 3.17Å; S665-A680 CarbonylContact O-C 3.55Å; S665-A680 VanDerWaalsContact O-CA 3.23Å; S665-A680 WeakPolarHBondContact O-CA 3.31Å; S665-A680 VanDerWaalsContact O-CB 3.25Å; S665-A680 WeakPolarHBondContact O-CB 3.27Å; T667-A680 WeakPolarHBondContact OG1-CA 3.34Å; A680-D682 PolarHBondContact O-N 3.42Å; A680-S683 PolarHBondContact O-N 2.92Å; A680-T684 PolarHBondContact N-O 2.93Å
681	V	98.4	Very high	93.5	Very high	57 Å²	57	27.2 Å²	27.2	35%	0.345	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21	171.1	172.4	0	0	0	0	112.7	P418 S665 T667 S683	P418-V681 HydrophobicContact CB-CG2 4.35Å; P418-V681 HydrophobicContact CG-CB 4.34Å; P418-V681 HydrophobicContact CG-CG1 4.06Å; P418-V681 HydrophobicContact CG-CG2 4.48Å; S665-V681 PolarHBondContact O-N 2.7Å; T667-V681 HydrophobicContact CG2-CG2 3.98Å; V681-S683 PolarHBondContact O-N 2.79Å; V681-S683 VanDerWaalsContact O-N 3.09Å
682	D	97.4	Very high	93.5	Very high	37 Å²	37	26.3 Å²	26.3	20%	0.198	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	9	172.6	67.4	25.4	0	0	0	114.8	H662 Q663 A680 T684	H662-D682 VanDerWaalsContact CA-OD2 3.24Å; H662-D682 WeakPolarHBondContact CA-OD2 2.97Å; H662-D682 WeakPolarHBondContact CB-OD2 3.41Å; H662-D682 IonicContact CE1-OD1 3.41Å; H662-D682 IonicContact CG-OD2 2.81Å; H662-D682 IonicContact ND1-OD1 3.56Å; H662-D682 PolarHBondContact ND1-OD1 2.93Å; H662-D682 IonicContact ND1-OD2 2.68Å; H662-D682 PolarHBondContact ND1-OD2 3.34Å; Q663-D682 HydrophobicContact CB-CB 4.19Å; Q663-D682 PolarHBondContact N-OD2 2.93Å; A680-D682 PolarHBondContact O-N 3.42Å; D682-T684 PolarHBondContact O-N 3.24Å; D682-T684 VanDerWaalsContact O-N 3.1Å; D682-T684 WeakPolarHBondContact OD1-CB 3.48Å; D682-T684 PolarHBondContact OD1-N 3.42Å; D682-T684 PolarHBondContact OD1-OG1 2.76Å
683	S	98	Very high	93.8	Very high	29 Å²	29	27.2 Å²	27.2	20%	0.203	15%	0.153	C	C	.	.	S	Bend	trans	62	11.4	179.8	-45.8	0	0	0	0	114.6	G417 A680 V681	G417-S683 WeakPolarHBondContact CA-OG 3.41Å; G417-S683 PolarHBondContact N-OG 3.43Å; G417-S683 PolarHBondContact O-OG 3.45Å; A680-S683 PolarHBondContact O-N 2.92Å; V681-S683 PolarHBondContact O-N 2.79Å; V681-S683 VanDerWaalsContact O-N 3.09Å
684	T	97.4	Very high	94.4	Very high	19 Å²	19	20.1 Å²	20.1	12%	0.117	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	158.1	175.6	77.7	0	0	0	0	112.3	T411 F412 V413 A680 D682 K686	T411-T684 HydrophobicContact CG2-CG2 3.93Å; F412-T684 WeakPolarHBondContact O-CA 3.4Å; V413-T684 HydrophobicContact CG2-CG2 4.16Å; A680-T684 PolarHBondContact N-O 2.93Å; D682-T684 PolarHBondContact O-N 3.24Å; D682-T684 VanDerWaalsContact O-N 3.1Å; D682-T684 WeakPolarHBondContact OD1-CB 3.48Å; D682-T684 PolarHBondContact OD1-N 3.42Å; D682-T684 PolarHBondContact OD1-OG1 2.76Å; T684-K686 PolarHBondContact OG1-NZ 3.37Å
685	V	98.2	Very high	95	Very high	1 Å²	1	19 Å²	19	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.7	166.6	-176.2	0	0	0	0	109	T411 F412 V419 L422 L431 S678	T411-V685 CarbonylContact C-O 3.57Å; T411-V685 WeakPolarHBondContact CA-O 3.24Å; F412-V685 HydrophobicContact CB-CB 4.24Å; F412-V685 HydrophobicContact CD2-CB 4.21Å; F412-V685 HydrophobicContact CD2-CG1 4.25Å; F412-V685 PolarHBondContact N-O 3.38Å; F412-V685 PolarHBondContact O-N 3.18Å; V419-V685 HydrophobicContact CB-CG2 4.43Å; V419-V685 HydrophobicContact CG1-CG2 3.99Å; V419-V685 HydrophobicContact CG2-CG2 4.05Å; L422-V685 HydrophobicContact CD1-CG1 4.07Å; L422-V685 HydrophobicContact CD2-CG1 3.98Å; L422-V685 HydrophobicContact CD2-CG2 3.99Å; L431-V685 HydrophobicContact CD2-CG1 3.91Å; S678-V685 CarbonylContact O-C 3.56Å; S678-V685 VanDerWaalsContact O-CA 3.22Å; S678-V685 WeakPolarHBondContact O-CA 3.29Å
686	K	96.3	Very high	95.3	Very high	16 Å²	16	18.4 Å²	18.4	7%	0.07	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	145.5	-178	-61.7	-168.3	-169.6	-38.5	0	111.8	T411 R661 H662 F677 S678 T684 W688	T411-K686 HydrophobicContact CG2-CG 4.16Å; T411-K686 VanDerWaalsContact CG2-NZ 3.32Å; T411-K686 PolarHBondContact OG1-NZ 3.24Å; R661-K686 HydrophobicContact CB-CD 3.96Å; R661-K686 WeakPolarHBondContact O-CE 3.37Å; H662-K686 VanDerWaalsContact CE1-CG 3.47Å; H662-K686 WeakPolarHBondContact CE1-CG 3.45Å; H662-K686 WeakPolarHBondContact ND1-CE 3.21Å; F677-K686 WeakPolarHBondContact CA-O 3.23Å; S678-K686 PolarHBondContact N-O 2.9Å; S678-K686 PolarHBondContact O-N 3.4Å; T684-K686 PolarHBondContact OG1-NZ 3.37Å; K686-W688 HydrophobicContact CB-CZ2 4.28Å; K686-W688 HydrophobicContact CD-CZ2 4.41Å
687	V	94.9	Very high	95.4	Very high	7 Å²	7	19.7 Å²	19.7	4%	0.042	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.2	-179.7	-170.7	0	0	0	0	108.8	C408 K409 G410 F412 F677	C408-V687 CarbonylContact C-O 3.56Å; C408-V687 WeakPolarHBondContact CA-O 3.2Å; K409-V687 PolarHBondContact N-O 3.25Å; G410-V687 PolarHBondContact O-N 3.14Å; F412-V687 HydrophobicContact CD2-CG2 4.09Å; F412-V687 HydrophobicContact CE2-CG2 3.56Å; F412-V687 HydrophobicContact CZ-CG2 3.88Å; F677-V687 HydrophobicContact CD1-CB 4.43Å; F677-V687 HydrophobicContact CD1-CG1 4.21Å; F677-V687 HydrophobicContact CD1-CG2 3.91Å; F677-V687 HydrophobicContact CE1-CB 4.35Å; F677-V687 HydrophobicContact CE1-CG1 3.78Å; F677-V687 HydrophobicContact CE1-CG2 3.85Å; F677-V687 HydrophobicContact CZ-CG1 4.38Å
688	W	93.7	Very high	95.2	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.015	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.9	179.9	-40.8	76.7	0	0	0	110.1	F406 K407 C408 L645 L659 R661 L676 S678 K686	F406-W688 HydrophobicContact CD1-CB 4.17Å; K407-W688 WeakPolarHBondContact O-CA 3.42Å; C408-W688 HydrophobicContact CB-CD2 4.2Å; C408-W688 HydrophobicContact CB-CE3 3.69Å; C408-W688 HydrophobicContact CB-CH2 4.3Å; C408-W688 HydrophobicContact CB-CZ3 3.74Å; L645-W688 HydrophobicContact CD1-CH2 4.26Å; L645-W688 HydrophobicContact CD1-CZ2 3.63Å; L659-W688 HydrophobicContact CB-CE3 4.26Å; L659-W688 HydrophobicContact CB-CH2 3.76Å; L659-W688 HydrophobicContact CB-CZ2 4.42Å; L659-W688 HydrophobicContact CB-CZ3 3.68Å; L659-W688 HydrophobicContact CD1-CD2 4.16Å; L659-W688 HydrophobicContact CD1-CE3 3.94Å; L659-W688 HydrophobicContact CD1-CZ3 4.24Å; L659-W688 HydrophobicContact CD2-CE3 3.92Å; L659-W688 HydrophobicContact CD2-CZ3 3.83Å; L659-W688 HydrophobicContact CG-CE3 4.27Å; L659-W688 HydrophobicContact CG-CZ3 4.13Å; R661-W688 HydrophobicContact CB-CH2 3.58Å; R661-W688 HydrophobicContact CB-CZ2 4.22Å; R661-W688 HydrophobicContact CB-CZ3 4.33Å; R661-W688 HydrophobicContact CG-CH2 3.65Å; R661-W688 HydrophobicContact CG-CZ3 3.9Å; L676-W688 HydrophobicContact CB-CB 4.24Å; L676-W688 HydrophobicContact CD2-CG 4.41Å; L676-W688 PolarHBondContact N-O 3.32Å; L676-W688 PolarHBondContact O-N 3.33Å; S678-W688 PolarHBondContact OG-NE1 3.05Å; K686-W688 HydrophobicContact CB-CZ2 4.28Å; K686-W688 HydrophobicContact CD-CZ2 4.41Å
689	T	88.1	Confident	95	Very high	30 Å²	30	22.9 Å²	22.9	18%	0.184	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	163	169.6	82	0	0	0	0	108.6	F406 K407 K409 R675	F406-T689 CarbonylContact C-O 3.57Å; F406-T689 WeakPolarHBondContact CA-O 3.32Å; K407-T689 PolarHBondContact N-O 3.04Å; K407-T689 PolarHBondContact O-N 2.76Å; K407-T689 VanDerWaalsContact O-N 3.17Å; K409-T689 WeakPolarHBondContact CE-OG1 3.44Å; K409-T689 HydrophobicContact CG-CG2 4.06Å; R675-T689 HydrophobicContact CB-CG2 4.18Å; R675-T689 HydrophobicContact CG-CG2 3.76Å
690	C	80.2	Confident	94.7	Very high	75 Å²	75	25 Å²	25	51%	0.507	15%	0.153	S	C	.	.			trans	-60.3	0	157.8	37.9	0	0	0	0	112.7	Q404 K409	Q404-C690 HydrophobicContact CB-CB 3.74Å; Q404-C690 HydrophobicContact CG-CB 4.16Å; K409-C690 WeakPolarHBondContact CE-O 3.26Å; K409-C690 PolarHBondContact NZ-O 3.45Å

Retrieved 690 of 690 residues in 447.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).