A0A087X743_POEFO Loading...

Nitric oxide associated 1

AlphaFold DB , UniProt , Accession A0A087X743, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 683 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	24.8	Very low	228 Å²	228	157.2 Å²	157.2	100%	1.123	76%	0.761	S	S	*	*				0	118.8	0	-63	167.5	-168.7	0	0	106.1
2	L	27.6	Very low	24.6	Very low	147 Å²	147	155.5 Å²	155.5	77%	0.77	75%	0.751	S	S	*	*				65.7	126.8	67.7	-75.4	80.3	0	0	0	111.5
3	K	26.3	Very low	24.5	Very low	170 Å²	170	151.7 Å²	151.7	74%	0.739	74%	0.742	S	S	*	*			cis	-165.1	144.8	-0.2	-128.1	176.7	-174.8	-177.4	0	113.1
4	L	25.6	Very low	24.4	Very low	131 Å²	131	158.1 Å²	158.1	69%	0.686	75%	0.754	S	S	*	*			trans	59.6	139.6	155.4	-62.1	142.5	0	0	0	118.4
5	L	24.5	Very low	24.3	Very low	136 Å²	136	161.6 Å²	161.6	71%	0.712	76%	0.757	S	S	*	*			cis	74.5	145.2	37.8	-57.7	165	0	0	0	112.3
6	Q	24	Very low	24.2	Very low	153 Å²	153	158.6 Å²	158.6	72%	0.715	76%	0.759	S	S	*	*			cis	-156.8	144.4	-0.5	-110	161	-50.1	0	0	107.4
7	V	23.6	Very low	24.2	Very low	129 Å²	129	157 Å²	157	78%	0.782	76%	0.762	S	S	*	*				75.3	139.7	71.5	174.3	0	0	0	0	115.7
8	S	21.6	Very low	24.2	Very low	108 Å²	108	155.3 Å²	155.3	76%	0.755	77%	0.767	S	S	*	*			trans	76.1	159.9	155.8	168.2	0	0	0	0	119.5
9	F	20.5	Very low	24.2	Very low	168 Å²	168	153.4 Å²	153.4	74%	0.737	77%	0.771	S	S	*	*			cis	-178.6	155	-39	-147.6	-130.9	0	0	0	109.1
10	R	20.8	Very low	24.2	Very low	175 Å²	175	149.9 Å²	149.9	66%	0.66	77%	0.766	S	S	*	*			trans	36.8	125.1	156.3	-79.8	-176.2	179.5	178.6	1.2	123.3
11	R	22.8	Very low	24.2	Very low	184 Å²	184	147.9 Å²	147.9	69%	0.694	77%	0.772	S	S	*	*			trans	63.8	178.2	135.1	-54.1	-178.4	-179.4	177.8	-4.8	116.3
12	H	22.6	Very low	23.7	Very low	137 Å²	137	142 Å²	142	63%	0.634	76%	0.759	S	S	*	*			cis	-142.2	143	8.7	-109.1	-73.1	0	0	0	109.6
13	V	24.2	Very low	23.5	Very low	106 Å²	106	138 Å²	138	64%	0.642	76%	0.755	S	S	*	*				50.5	130	104.8	176.2	0	0	0	0	117.6
14	W	22.9	Very low	23.5	Very low	241 Å²	241	142.7 Å²	142.7	91%	0.913	77%	0.768	S	S	*	*			trans	-155.5	136.8	132.2	-99.4	25.5	0	0	0	106.4
15	R	22.8	Very low	23.5	Very low	211 Å²	211	140.6 Å²	140.6	80%	0.796	78%	0.778	S	S	*	*				68.6	101.7	58.4	-73.5	-168.8	169.8	-162.3	-2.5	112.9
16	S	23.1	Very low	23.6	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	79%	0.785	S	S	*	*				95.6	154.2	99.1	-146.3	0	0	0	0	110.1
17	V	24.4	Very low	23.8	Very low	132 Å²	132	136.2 Å²	136.2	80%	0.8	79%	0.787	S	S	*	*			cis	-148.1	167.3	31	170.9	0	0	0	0	109.9
18	C	23	Very low	23.9	Very low	127 Å²	127	142.5 Å²	142.5	86%	0.858	80%	0.797	S	S	*	*			trans	-90.1	144.6	176	-58.3	0	0	0	0	114.5
19	S	24.3	Very low	24.1	Very low	119 Å²	119	140.7 Å²	140.7	83%	0.832	80%	0.795	S	S	*	*			trans	-164	178.5	156.7	-161.6	0	0	0	0	110.9
20	A	24	Very low	24.3	Very low	82 Å²	82	138 Å²	138	68%	0.678	80%	0.804	S	S	*	*				-175	139.2	-97.6	0	0	0	0	0	110.6
21	A	23.8	Very low	24.5	Very low	108 Å²	108	134.6 Å²	134.6	89%	0.893	81%	0.813	S	S	*	*			trans	60.8	153.8	-177.8	0	0	0	0	0	115.1
22	A	25.4	Very low	24.5	Very low	104 Å²	104	131 Å²	131	86%	0.86	82%	0.822	S	S	*	*			cis	-162.6	171.7	-17.6	0	0	0	0	0	107
23	G	23.9	Very low	24.7	Very low	65 Å²	65	128.8 Å²	128.8	67%	0.67	83%	0.828	S	S	*	*			cis	162.1	177.8	-1.6	0	0	0	0	0	110.9
24	R	26.8	Very low	24.8	Very low	268 Å²	268	128.8 Å²	128.8	100%	1.011	84%	0.839	S	S	*	*			trans	73.4	146.3	-177.2	-53.4	-179.3	173.8	-166	-2.5	116.3
25	G	25.5	Very low	24.9	Very low	87 Å²	87	128.7 Å²	128.7	90%	0.897	84%	0.838	S	S	*	*			trans	137.6	100.3	171.1	0	0	0	0	0	114.7
26	A	26.7	Very low	25	Very low	106 Å²	106	130.9 Å²	130.9	88%	0.876	85%	0.847	S	S	*	*			trans	-122.1	157.5	176.3	0	0	0	0	0	108.5
27	A	26.7	Very low	25.1	Very low	90 Å²	90	130.4 Å²	130.4	74%	0.744	85%	0.85	S	S	*	*			cis	-161.7	-178.6	-3.2	0	0	0	0	0	110.1
28	R	26.7	Very low	25	Very low	262 Å²	262	127.2 Å²	127.2	99%	0.989	84%	0.843	S	S	*	*			trans	72.7	143.5	177.3	-54	175.9	171.6	178.3	-3.5	114.4
29	G	24.6	Very low	25.1	Very low	69 Å²	69	128.4 Å²	128.4	71%	0.711	85%	0.846	S	S	*	*			cis	-179.7	172.4	-5	0	0	0	0	0	112.1
30	A	25.9	Very low	25.1	Very low	113 Å²	113	133.8 Å²	133.8	93%	0.934	85%	0.848	S	S	*	*			trans	68.8	152.7	-170.7	0	0	0	0	0	115.3
31	A	23.4	Very low	25.2	Very low	103 Å²	103	135 Å²	135	85%	0.851	85%	0.852	S	S	*	*			trans	-146.2	135.8	-158.8	0	0	0	0	0	115.4
32	A	24.3	Very low	25.4	Very low	108 Å²	108	135.8 Å²	135.8	89%	0.893	85%	0.849	S	S	*	*			trans	-150.3	88.1	162.3	0	0	0	0	0	108.8
33	A	25.5	Very low	25.6	Very low	91 Å²	91	138 Å²	138	75%	0.752	85%	0.845	S	S	*	*			trans	-107.5	109.3	-166.8	0	0	0	0	0	113.3
34	A	27.4	Very low	25.9	Very low	105 Å²	105	141.1 Å²	141.1	87%	0.868	85%	0.851	S	S	*	*			trans	-66	144.1	163.6	0	0	0	0	0	110.7
35	R	24	Very low	26	Very low	239 Å²	239	134.7 Å²	134.7	90%	0.902	84%	0.837	S	S	*	*			trans	-134.9	122	172.3	-85.1	-169.8	164.4	-174.3	-4.1	113
36	R	24.9	Very low	26.6	Very low	257 Å²	257	135.4 Å²	135.4	97%	0.97	82%	0.824	S	S	*	*			trans	-73	139.4	157	-74.9	174.2	166.6	166.9	-5.4	109.5
37	A	25.2	Very low	26.9	Very low	104 Å²	104	137.3 Å²	137.3	86%	0.86	82%	0.819	S	S	*	*			trans	-143.6	148.8	153.4	0	0	0	0	0	106.8
38	G	23.3	Very low	27.2	Very low	64 Å²	64	140.6 Å²	140.6	66%	0.66	82%	0.824	S	S	*	*			cis	134.8	58.5	9.5	0	0	0	0	0	109.2	R40	G38-R40 PolarHBondContact O-N 3.4Å; G38-R40 VanDerWaalsContact O-N 3.14Å
39	V	25.3	Very low	27.2	Very low	152 Å²	152	136.1 Å²	136.1	92%	0.921	81%	0.814	S	S	*	*			trans	-66.9	112.5	-170.6	-179.1	0	0	0	0	110
40	R	25	Very low	27.3	Very low	232 Å²	232	141.8 Å²	141.8	88%	0.875	82%	0.822	S	S	*	*			trans	-98.6	124.7	166	-78.3	-177.2	166.6	-178.3	-5.4	109.4	G38	G38-R40 PolarHBondContact O-N 3.4Å; G38-R40 VanDerWaalsContact O-N 3.14Å
41	S	25.5	Very low	27.1	Very low	109 Å²	109	142.9 Å²	142.9	76%	0.762	81%	0.808	S	S	*	*			trans	-80.6	135.1	166	50.4	0	0	0	0	110.3
42	C	27.6	Very low	27.2	Very low	123 Å²	123	146.5 Å²	146.5	83%	0.831	80%	0.804	S	S	*	*			trans	-122.4	133.2	168.4	-61.8	0	0	0	0	109.1
43	I	29.8	Very low	27.1	Very low	150 Å²	150	147 Å²	147	77%	0.769	80%	0.797	S	S	*	*			trans	-120.7	132.5	176.7	-58.5	170.8	0	0	0	106.4
44	V	30.5	Very low	27.1	Very low	131 Å²	131	152 Å²	152	79%	0.794	80%	0.801	S	S	*	*			trans	-149.1	141.9	167.3	-175.2	0	0	0	0	107.6
45	D	28.6	Very low	27	Very low	133 Å²	133	154.9 Å²	154.9	71%	0.711	80%	0.801	S	S	*	*			trans	-85.7	-162.1	-161.3	-55.7	-79.4	0	0	0	115.4
46	T	37.3	Very low	27	Very low	103 Å²	103	150.5 Å²	150.5	63%	0.632	80%	0.796	S	S	*	*			trans	-131.6	-0.8	-144.5	42.8	0	0	0	0	116.9
47	N	34.3	Very low	27	Very low	145 Å²	145	144.9 Å²	144.9	78%	0.775	79%	0.794	S	S	*	*			trans	-105.9	95.8	-158.2	-60.5	10.1	0	0	0	113
48	L	31.6	Very low	26.9	Very low	160 Å²	160	145 Å²	145	84%	0.838	80%	0.795	S	S	*	*			trans	-168.5	111.1	158.5	-108.6	157.7	0	0	0	109.4
49	E	26.6	Very low	26.9	Very low	168 Å²	168	145.2 Å²	145.2	79%	0.785	80%	0.798	S	S	*	*			trans	-127.3	143.8	173.9	-69.9	-178.7	-176.3	0	0	109.1
50	E	27.1	Very low	26.8	Very low	188 Å²	188	145 Å²	145	88%	0.879	79%	0.791	S	S	*	*			trans	-138.4	143.6	170.3	-67.6	-176.3	159.7	0	0	108.2
51	Q	22.3	Very low	26.7	Very low	135 Å²	135	142 Å²	142	63%	0.631	79%	0.786	S	S	*	*			trans	-132	167.9	-159.3	-63.1	-179.4	-43.7	0	0	113.7
52	F	25.1	Very low	26.6	Very low	179 Å²	179	145.7 Å²	145.7	79%	0.785	79%	0.792	S	S	*	*			trans	73	156.3	159.6	-52.8	-53.6	0	0	0	117.4
53	V	23.1	Very low	26.3	Very low	120 Å²	120	148.6 Å²	148.6	73%	0.727	79%	0.793	S	S	*	*			cis	-146.6	163.2	-4.8	97.1	0	0	0	0	110.6
54	F	25.4	Very low	26.6	Very low	194 Å²	194	145.9 Å²	145.9	85%	0.851	79%	0.786	S	S	*	*			trans	-104.9	164.2	169.7	-81.6	-91.7	0	0	0	111.7
55	L	24.2	Very low	26.2	Very low	166 Å²	166	146.3 Å²	146.3	87%	0.869	78%	0.783	S	S	*	*			trans	-122.9	130.9	168.3	-126.8	78.6	0	0	0	109.7
56	D	24.8	Very low	26	Very low	148 Å²	148	148 Å²	148	79%	0.791	79%	0.787	S	S	*	*			trans	-91	161.8	-177.8	-55.7	-61.6	0	0	0	113.2
57	C	24	Very low	25.4	Very low	138 Å²	138	149.4 Å²	149.4	93%	0.932	79%	0.786	S	S	*	*			trans	-149.2	147.4	152.7	-89.5	0	0	0	0	108.3
58	A	24.3	Very low	24.9	Very low	107 Å²	107	150.5 Å²	150.5	88%	0.884	79%	0.787	S	S	*	*			trans	-141.2	174.3	-160.2	0	0	0	0	0	114.6
59	G	23.5	Very low	24.5	Very low	69 Å²	69	149.6 Å²	149.6	71%	0.711	78%	0.778	S	S	*	*			trans	103.1	151.4	174.2	0	0	0	0	0	114.1
60	L	23.2	Very low	24.3	Very low	148 Å²	148	149.9 Å²	149.9	78%	0.775	78%	0.784	S	S	*	*			cis	-148.9	146.5	-6.2	-81.4	171.8	0	0	0	106.4
61	E	22.4	Very low	24.1	Very low	167 Å²	167	151 Å²	151	78%	0.78	78%	0.78	S	S	*	*				47.1	133.8	91.6	-67.5	165	-177.5	0	0	113.7
62	E	23	Very low	24.1	Very low	188 Å²	188	151.5 Å²	151.5	88%	0.879	79%	0.792	S	S	*	*			cis	-153.7	-168.8	26	-139	166.3	-162.4	0	0	113.1
63	E	21.8	Very low	24.1	Very low	183 Å²	183	147.2 Å²	147.2	86%	0.855	79%	0.79	S	S	*	*			trans	-102.9	-127.6	-165.2	-75.5	-107.5	143.4	0	0	117.5
64	P	35.2	Very low	24.2	Very low	94 Å²	94	147.3 Å²	147.3	61%	0.61	80%	0.796	S	S	*	*				-122.9	-173.5	-109.1	37.7	-21	0	0	0	116
65	D	21.6	Very low	24.1	Very low	139 Å²	139	141.9 Å²	141.9	74%	0.743	80%	0.795	S	S	*	*				175	145	122.7	-89.8	-19.7	0	0	0	116.3
66	E	24.4	Very low	24.2	Very low	170 Å²	170	140.1 Å²	140.1	79%	0.794	80%	0.796	S	S	*	*			trans	19.3	154.7	136.3	-58.9	-161.5	156	0	0	122.5
67	E	24.5	Very low	24.2	Very low	131 Å²	131	137.1 Å²	137.1	61%	0.612	80%	0.801	S	S	*	*			cis	-164.8	177.8	-10.1	-128.1	-134.8	142.2	0	0	111
68	Q	24.2	Very low	24.3	Very low	168 Å²	168	136.7 Å²	136.7	79%	0.785	80%	0.799	S	S	*	*				120.1	150.5	129.2	-123.4	149.5	83	0	0	119.9
69	Q	23.7	Very low	24.4	Very low	141 Å²	141	135.7 Å²	135.7	66%	0.659	80%	0.799	S	S	*	*			trans	-118.9	159.8	-162.4	-52.8	170	23.1	0	0	111.6
70	L	22.3	Very low	24.6	Very low	175 Å²	175	138.3 Å²	138.3	92%	0.916	81%	0.807	S	S	*	*			trans	-152.7	151.1	145.8	-111.1	158.3	0	0	0	111.7
71	R	23.1	Very low	24.7	Very low	210 Å²	210	133.6 Å²	133.6	79%	0.792	79%	0.794	S	S	*	*			trans	-116.4	165.6	-176.8	-57.9	174.8	179.3	175.2	-0.9	109.8
72	V	23	Very low	25	Very low	146 Å²	146	130.2 Å²	130.2	89%	0.885	79%	0.788	S	S	*	*				-173.9	155.8	126.5	139.7	0	0	0	0	110.4
73	A	23.9	Very low	25.8	Very low	89 Å²	89	124 Å²	124	74%	0.736	78%	0.775	S	S	*	*			trans	-95.2	-168.5	177.7	0	0	0	0	0	110.7
74	S	25.8	Very low	26.3	Very low	123 Å²	123	120.6 Å²	120.6	86%	0.86	77%	0.772	S	S	*	*			cis	-165.1	177.7	12.3	57.6	0	0	0	0	108.9
75	G	24.1	Very low	26.1	Very low	80 Å²	80	119 Å²	119	83%	0.825	76%	0.758	S	S	*	*			trans	164.4	129.4	164.8	0	0	0	0	0	115.2
76	S	26	Very low	26.5	Very low	128 Å²	128	121.3 Å²	121.3	90%	0.895	76%	0.756	S	S	*	*			trans	-131.7	141.4	-177.7	58.5	0	0	0	0	112.4
77	G	24.4	Very low	26.9	Very low	86 Å²	86	121 Å²	121	89%	0.887	76%	0.755	S	S	*	*			trans	-159.6	142.7	174.8	0	0	0	0	0	113
78	S	26.7	Very low	27.1	Very low	129 Å²	129	121 Å²	121	90%	0.902	75%	0.754	S	S	*	*			trans	-121.3	144.3	-171.1	55.9	0	0	0	0	113.1
79	G	25.2	Very low	27.4	Very low	85 Å²	85	117.2 Å²	117.2	88%	0.876	73%	0.733	S	S	*	*			trans	-172.6	141.4	172.5	0	0	0	0	0	113.9
80	S	28.7	Very low	28	Very low	125 Å²	125	114.8 Å²	114.8	87%	0.874	73%	0.728	S	S	*	*			trans	-119.7	143.1	-172.6	55.2	0	0	0	0	112.9
81	G	25.2	Very low	28.7	Very low	49 Å²	49	111.5 Å²	111.5	51%	0.505	71%	0.708	S	S	.	*			trans	176.3	122.2	170.4	0	0	0	0	0	116.7	R89	G81-R89 PolarHBondContact O-NH1 2.79Å
82	S	28.4	Very low	29.3	Very low	95 Å²	95	104.9 Å²	104.9	66%	0.664	69%	0.687	S	S	*	*			trans	50	164.6	153	68	0	0	0	0	121.5
83	G	39.4	Very low	30.2	Very low	58 Å²	58	104.5 Å²	104.5	60%	0.598	67%	0.67	S	S	*	*	S	Bend	trans	-116.6	-30.3	-160.7	0	0	0	0	0	118	R86	G83-R86 VanDerWaalsContact O-CB 3.24Å; G83-R86 WeakPolarHBondContact O-CB 3.45Å
84	S	32.1	Very low	30.9	Very low	112 Å²	112	102.8 Å²	102.8	78%	0.783	66%	0.656	S	S	*	*	S	Bend	trans	-75.8	-43.2	178.6	45.9	0	0	0	0	112.1	R86	S84-R86 PolarHBondContact O-N 2.99Å
85	D	31.8	Very low	31.7	Very low	60 Å²	60	98.7 Å²	98.7	32%	0.321	62%	0.624	S	S	.	*	H	α-helix	trans	-49.9	-23.2	169.8	-179.7	31.4	0	0	0	113.4	Q87 H88 R89	D85-Q87 PolarHBondContact O-N 3.46Å; D85-H88 PolarHBondContact O-N 2.7Å; D85-R89 WeakPolarHBondContact O-CB 3.27Å; D85-R89 PolarHBondContact O-N 3.36Å; D85-R89 WeakPolarHBondContact OD1-CD 3.19Å; D85-R89 WeakPolarHBondContact OD1-CG 3.25Å; D85-R89 WeakPolarHBondContact OD2-CD 3.41Å; D85-R89 IonicContact OD2-CZ 3.08Å; D85-R89 IonicContact OD2-NE 3.14Å; D85-R89 IonicContact OD2-NH1 3.41Å; D85-R89 PolarHBondContact OD2-NH1 3.44Å
86	R	30.7	Very low	32.6	Very low	187 Å²	187	100.1 Å²	100.1	71%	0.706	61%	0.609	S	S	*	*	H	α-helix	trans	-64.9	-33.1	-173.2	-158	174	-170.9	174.1	4.7	114.6	G83 S84 T90	G83-R86 VanDerWaalsContact O-CB 3.24Å; G83-R86 WeakPolarHBondContact O-CB 3.45Å; S84-R86 PolarHBondContact O-N 2.99Å; R86-T90 WeakPolarHBondContact O-CG2 3.34Å; R86-T90 PolarHBondContact O-N 3.5Å; R86-T90 PolarHBondContact O-OG1 2.91Å; R86-T90 VanDerWaalsContact O-OG1 3.11Å
87	Q	31.6	Very low	33.8	Very low	165 Å²	165	102.7 Å²	102.7	77%	0.771	60%	0.6	S	S	*	*	H	α-helix	trans	-73.7	-43.6	175.2	-83.3	-176.3	-52.9	0	0	111.6	D85 T90 H91	D85-Q87 PolarHBondContact O-N 3.46Å; Q87-T90 WeakPolarHBondContact CA-OG1 3.21Å; Q87-T90 PolarHBondContact O-N 3.3Å; Q87-T90 VanDerWaalsContact O-N 3.15Å; Q87-T90 PolarHBondContact O-OG1 3.38Å; Q87-H91 PolarHBondContact O-N 3.02Å; Q87-H91 VanDerWaalsContact O-N 3.08Å
88	H	29.6	Very low	34.9	Very low	129 Å²	129	100.2 Å²	100.2	60%	0.597	57%	0.565	S	S	*	*	H	α-helix	trans	-65	-43.1	178.1	-143.1	-6.2	0	0	0	110.5	D85 T90 H91 L92	D85-H88 PolarHBondContact O-N 2.7Å; H88-T90 VanDerWaalsContact C-N 3.35Å; H88-T90 PolarHBondContact O-N 3.19Å; H88-H91 WeakPolarHBondContact O-CB 3.5Å; H88-H91 PolarHBondContact O-N 3.13Å; H88-H91 VanDerWaalsContact O-N 3.15Å; H88-L92 WeakPolarHBondContact O-CB 3.38Å; H88-L92 WeakPolarHBondContact O-CG 3.24Å; H88-L92 PolarHBondContact O-N 3.02Å
89	R	29.9	Very low	36	Very low	89 Å²	89	96.7 Å²	96.7	34%	0.336	54%	0.536	S	S	.	.	H	α-helix	trans	-65.9	-24.8	171.3	-81.4	163	74.5	-166.4	4.3	114.7	G81 D85 R93	G81-R89 PolarHBondContact O-NH1 2.79Å; D85-R89 WeakPolarHBondContact O-CB 3.27Å; D85-R89 PolarHBondContact O-N 3.36Å; D85-R89 WeakPolarHBondContact OD1-CD 3.19Å; D85-R89 WeakPolarHBondContact OD1-CG 3.25Å; D85-R89 WeakPolarHBondContact OD2-CD 3.41Å; D85-R89 IonicContact OD2-CZ 3.08Å; D85-R89 IonicContact OD2-NE 3.14Å; D85-R89 IonicContact OD2-NH1 3.41Å; D85-R89 PolarHBondContact OD2-NH1 3.44Å; R89-R93 WeakPolarHBondContact O-CB 3.34Å; R89-R93 WeakPolarHBondContact O-CD 3.37Å; R89-R93 WeakPolarHBondContact O-CG 3.21Å; R89-R93 PolarHBondContact O-N 2.96Å
90	T	37.3	Very low	37.2	Very low	90 Å²	90	98 Å²	98	55%	0.552	52%	0.519	S	S	*	.	H	α-helix	trans	-73.5	-34.7	168.7	42.3	0	0	0	0	112.6	R86 Q87 H88 A94	R86-T90 WeakPolarHBondContact O-CG2 3.34Å; R86-T90 PolarHBondContact O-N 3.5Å; R86-T90 PolarHBondContact O-OG1 2.91Å; R86-T90 VanDerWaalsContact O-OG1 3.11Å; Q87-T90 WeakPolarHBondContact CA-OG1 3.21Å; Q87-T90 PolarHBondContact O-N 3.3Å; Q87-T90 VanDerWaalsContact O-N 3.15Å; Q87-T90 PolarHBondContact O-OG1 3.38Å; H88-T90 VanDerWaalsContact C-N 3.35Å; H88-T90 PolarHBondContact O-N 3.19Å; T90-A94 WeakPolarHBondContact O-CB 3.18Å; T90-A94 PolarHBondContact O-N 3.24Å; T90-A94 VanDerWaalsContact O-N 3.1Å
91	H	35.9	Very low	38.2	Very low	107 Å²	107	95.8 Å²	95.8	50%	0.495	50%	0.5	S	S	.	.	H	α-helix	trans	-68.3	-49.8	173.2	-167.6	-86.4	0	0	0	110.8	Q87 H88 R93 A94 L95	Q87-H91 PolarHBondContact O-N 3.02Å; Q87-H91 VanDerWaalsContact O-N 3.08Å; H88-H91 WeakPolarHBondContact O-CB 3.5Å; H88-H91 PolarHBondContact O-N 3.13Å; H88-H91 VanDerWaalsContact O-N 3.15Å; H91-R93 PolarHBondContact O-N 3.11Å; H91-A94 WeakPolarHBondContact O-CB 3.28Å; H91-A94 PolarHBondContact O-N 3.27Å; H91-A94 VanDerWaalsContact O-N 3.12Å; H91-L95 PolarHBondContact O-N 3.05Å
92	L	36.5	Very low	39.4	Very low	70 Å²	70	95 Å²	95	37%	0.366	48%	0.484	S	S	.	.	H	α-helix	trans	-59.8	-42	176	-68	166.3	0	0	0	111.7	H88 A94 L95 E96	H88-L92 WeakPolarHBondContact O-CB 3.38Å; H88-L92 WeakPolarHBondContact O-CG 3.24Å; H88-L92 PolarHBondContact O-N 3.02Å; L92-A94 VanDerWaalsContact C-N 3.31Å; L92-A94 PolarHBondContact O-N 3.22Å; L92-L95 CarbonylContact O-C 3.57Å; L92-L95 WeakPolarHBondContact O-CA 3.48Å; L92-L95 VanDerWaalsContact O-CB 3.23Å; L92-L95 WeakPolarHBondContact O-CB 3.48Å; L92-L95 PolarHBondContact O-N 3.25Å; L92-L95 VanDerWaalsContact O-N 3.17Å; L92-E96 WeakPolarHBondContact O-CB 3.2Å; L92-E96 WeakPolarHBondContact O-CG 3.37Å; L92-E96 PolarHBondContact O-N 2.82Å
93	R	40.5	Very low	40	Very low	138 Å²	138	99.3 Å²	99.3	52%	0.521	49%	0.486	S	S	.	.	H	α-helix	trans	-70.3	-21.9	175.5	-75.4	169	168	-161.5	-8	114.8	R89 H91 E96 R97	R89-R93 WeakPolarHBondContact O-CB 3.34Å; R89-R93 WeakPolarHBondContact O-CD 3.37Å; R89-R93 WeakPolarHBondContact O-CG 3.21Å; R89-R93 PolarHBondContact O-N 2.96Å; H91-R93 PolarHBondContact O-N 3.11Å; R93-E96 WeakPolarHBondContact CA-OE2 3.27Å; R93-E96 WeakPolarHBondContact CG-OE2 3.08Å; R93-R97 WeakPolarHBondContact O-CB 3.32Å; R93-R97 WeakPolarHBondContact O-CD 3.47Å; R93-R97 WeakPolarHBondContact O-CG 3.4Å; R93-R97 PolarHBondContact O-N 2.96Å
94	A	40	Very low	40.1	Very low	54 Å²	54	102.2 Å²	102.2	45%	0.446	49%	0.488	S	S	.	.	H	α-helix	trans	-74.4	-44.3	168.3	0	0	0	0	0	110.1	T90 H91 L92 R97 Q98	T90-A94 WeakPolarHBondContact O-CB 3.18Å; T90-A94 PolarHBondContact O-N 3.24Å; T90-A94 VanDerWaalsContact O-N 3.1Å; H91-A94 WeakPolarHBondContact O-CB 3.28Å; H91-A94 PolarHBondContact O-N 3.27Å; H91-A94 VanDerWaalsContact O-N 3.12Å; L92-A94 VanDerWaalsContact C-N 3.31Å; L92-A94 PolarHBondContact O-N 3.22Å; A94-R97 PolarHBondContact O-N 3.48Å; A94-Q98 WeakPolarHBondContact O-CB 3.42Å; A94-Q98 PolarHBondContact O-N 3.42Å
95	L	41.7	Very low	40.4	Very low	36 Å²	36	100 Å²	100	19%	0.188	48%	0.482	C	S	.	.	H	α-helix	trans	-55.1	-54.3	171.8	-121.6	76.2	0	0	0	112	H91 L92 R97 Q98 L99 L170	H91-L95 PolarHBondContact O-N 3.05Å; L92-L95 CarbonylContact O-C 3.57Å; L92-L95 WeakPolarHBondContact O-CA 3.48Å; L92-L95 VanDerWaalsContact O-CB 3.23Å; L92-L95 WeakPolarHBondContact O-CB 3.48Å; L92-L95 PolarHBondContact O-N 3.25Å; L92-L95 VanDerWaalsContact O-N 3.17Å; L95-R97 VanDerWaalsContact C-N 3.33Å; L95-R97 PolarHBondContact O-N 3.48Å; L95-Q98 PolarHBondContact O-N 3.28Å; L95-Q98 VanDerWaalsContact O-N 3.16Å; L95-L99 VanDerWaalsContact O-CB 3.29Å; L95-L99 WeakPolarHBondContact O-CB 3.46Å; L95-L99 VanDerWaalsContact O-CG 3.26Å; L95-L99 WeakPolarHBondContact O-CG 3.44Å; L95-L99 PolarHBondContact O-N 3.17Å; L95-L170 HydrophobicContact CD1-CD1 3.7Å; L95-L170 HydrophobicContact CD1-CD2 4.16Å; L95-L170 HydrophobicContact CD1-CG 3.82Å; L95-L170 HydrophobicContact CD2-CD1 4.18Å; L95-L170 HydrophobicContact CG-CD1 3.68Å; L95-L170 HydrophobicContact CG-CG 4.38Å
96	E	44	Very low	40.4	Very low	110 Å²	110	101 Å²	101	51%	0.514	50%	0.499	S	S	.	.	H	α-helix	trans	-54.5	-46.6	179.4	-73.7	161.1	-175.5	0	0	111	L92 R93 L99 Q100	L92-E96 WeakPolarHBondContact O-CB 3.2Å; L92-E96 WeakPolarHBondContact O-CG 3.37Å; L92-E96 PolarHBondContact O-N 2.82Å; R93-E96 WeakPolarHBondContact CA-OE2 3.27Å; R93-E96 WeakPolarHBondContact CG-OE2 3.08Å; E96-L99 PolarHBondContact O-N 3.32Å; E96-Q100 VanDerWaalsContact O-CB 3.22Å; E96-Q100 WeakPolarHBondContact O-CB 3.47Å; E96-Q100 PolarHBondContact O-N 2.72Å
97	R	51.3	Low	40.4	Very low	182 Å²	182	97 Å²	97	69%	0.687	50%	0.5	S	S	*	.	H	α-helix	trans	-67.1	-41.6	177.7	-73.4	172.7	-176.1	-144	-4.6	112.6	R93 A94 L95 Q100 V101	R93-R97 WeakPolarHBondContact O-CB 3.32Å; R93-R97 WeakPolarHBondContact O-CD 3.47Å; R93-R97 WeakPolarHBondContact O-CG 3.4Å; R93-R97 PolarHBondContact O-N 2.96Å; A94-R97 PolarHBondContact O-N 3.48Å; L95-R97 VanDerWaalsContact C-N 3.33Å; L95-R97 PolarHBondContact O-N 3.48Å; R97-Q100 PolarHBondContact O-N 2.77Å; R97-V101 WeakPolarHBondContact O-CG2 3.31Å; R97-V101 PolarHBondContact O-N 2.71Å
98	Q	47.6	Very low	40.3	Very low	34 Å²	34	98.3 Å²	98.3	16%	0.159	51%	0.506	C	S	.	.	H	α-helix	trans	-64.8	-44.8	177.1	-173.9	169.4	-10.5	0	0	110.3	A94 L95 Q100 L102 P179	A94-Q98 WeakPolarHBondContact O-CB 3.42Å; A94-Q98 PolarHBondContact O-N 3.42Å; L95-Q98 PolarHBondContact O-N 3.28Å; L95-Q98 VanDerWaalsContact O-N 3.16Å; Q98-Q100 VanDerWaalsContact C-N 3.29Å; Q98-Q100 PolarHBondContact O-N 3.41Å; Q98-L102 HydrophobicContact CG-CD1 3.78Å; Q98-L102 VanDerWaalsContact O-CB 3.28Å; Q98-L102 WeakPolarHBondContact O-CB 3.48Å; Q98-L102 VanDerWaalsContact O-CD1 3.27Å; Q98-L102 WeakPolarHBondContact O-CD1 3.47Å; Q98-L102 WeakPolarHBondContact O-CG 3.33Å; Q98-L102 PolarHBondContact O-N 2.8Å; Q98-P179 PolarHBondContact NE2-O 3.48Å
99	L	49.6	Very low	40.1	Very low	55 Å²	55	101.5 Å²	101.5	29%	0.288	52%	0.521	S	S	.	.	H	α-helix	trans	-67.5	-21.9	174.8	-70.6	169.1	0	0	0	114.1	L95 E96 R103 V159	L95-L99 VanDerWaalsContact O-CB 3.29Å; L95-L99 WeakPolarHBondContact O-CB 3.46Å; L95-L99 VanDerWaalsContact O-CG 3.26Å; L95-L99 WeakPolarHBondContact O-CG 3.44Å; L95-L99 PolarHBondContact O-N 3.17Å; E96-L99 PolarHBondContact O-N 3.32Å; L99-R103 WeakPolarHBondContact O-CG 3.31Å; L99-R103 PolarHBondContact O-NE 3.5Å; L99-V159 HydrophobicContact CD2-CB 3.91Å; L99-V159 HydrophobicContact CD2-CG1 4.05Å; L99-V159 HydrophobicContact CD2-CG2 4.04Å
100	Q	49.2	Very low	40	Very low	114 Å²	114	103.2 Å²	103.2	53%	0.533	54%	0.543	S	S	.	.	H	α-helix	trans	-80.6	-50.2	174.3	-175.3	169.6	7.1	0	0	110.8	E96 R97 Q98 L102 R103 D104	E96-Q100 VanDerWaalsContact O-CB 3.22Å; E96-Q100 WeakPolarHBondContact O-CB 3.47Å; E96-Q100 PolarHBondContact O-N 2.72Å; R97-Q100 PolarHBondContact O-N 2.77Å; Q98-Q100 VanDerWaalsContact C-N 3.29Å; Q98-Q100 PolarHBondContact O-N 3.41Å; Q100-L102 PolarHBondContact O-N 2.73Å; Q100-R103 WeakPolarHBondContact O-CB 3.47Å; Q100-R103 PolarHBondContact O-N 2.72Å; Q100-D104 PolarHBondContact O-N 3.46Å
101	V	50.6	Low	39.6	Very low	77 Å²	77	102.3 Å²	102.3	47%	0.467	55%	0.552	S	S	.	*	H	α-helix	trans	-57.1	-35.4	173	172.4	0	0	0	0	111.5	R97 R103 D104 G105 L178	R97-V101 WeakPolarHBondContact O-CG2 3.31Å; R97-V101 PolarHBondContact O-N 2.71Å; V101-R103 VanDerWaalsContact C-N 3.28Å; V101-R103 PolarHBondContact O-N 3.39Å; V101-D104 PolarHBondContact O-N 3.28Å; V101-G105 PolarHBondContact O-N 3.15Å; V101-L178 HydrophobicContact CG1-CD1 3.92Å; V101-L178 HydrophobicContact CG1-CD2 3.94Å
102	L	49.6	Very low	39.4	Very low	32 Å²	32	103.4 Å²	103.4	17%	0.168	57%	0.569	C	S	.	*	H	α-helix	trans	-73.5	-9.5	175.6	-73.4	163.3	0	0	0	114.7	Q98 Q100 V159 A174 L178	Q98-L102 HydrophobicContact CG-CD1 3.78Å; Q98-L102 VanDerWaalsContact O-CB 3.28Å; Q98-L102 WeakPolarHBondContact O-CB 3.48Å; Q98-L102 VanDerWaalsContact O-CD1 3.27Å; Q98-L102 WeakPolarHBondContact O-CD1 3.47Å; Q98-L102 WeakPolarHBondContact O-CG 3.33Å; Q98-L102 PolarHBondContact O-N 2.8Å; Q100-L102 PolarHBondContact O-N 2.73Å; L102-V159 HydrophobicContact CB-CG2 4.39Å; L102-V159 HydrophobicContact CD1-CG1 4.42Å; L102-V159 HydrophobicContact CD1-CG2 3.63Å; L102-V159 HydrophobicContact CG-CG2 4.47Å; L102-A174 HydrophobicContact CD2-CB 3.79Å; L102-L178 HydrophobicContact CD2-CD1 3.54Å; L102-L178 HydrophobicContact CG-CD1 3.93Å
103	R	41.9	Very low	39	Very low	187 Å²	187	107.3 Å²	107.3	71%	0.706	59%	0.59	S	S	*	*	H	α-helix	trans	-95	-38.8	168.1	-69.7	170.9	-152.1	-166.5	1.5	111.9	L99 Q100 V101 G105	L99-R103 WeakPolarHBondContact O-CG 3.31Å; L99-R103 PolarHBondContact O-NE 3.5Å; Q100-R103 WeakPolarHBondContact O-CB 3.47Å; Q100-R103 PolarHBondContact O-N 2.72Å; V101-R103 VanDerWaalsContact C-N 3.28Å; V101-R103 PolarHBondContact O-N 3.39Å; R103-G105 VanDerWaalsContact C-N 3.33Å; R103-G105 PolarHBondContact O-N 2.98Å
104	D	41.5	Very low	38.3	Very low	119 Å²	119	103.6 Å²	103.6	64%	0.636	59%	0.586	S	S	*	*	H	α-helix	trans	-78	-17.9	-172.3	-58.8	-23.5	0	0	0	112.6	Q100 V101 A106	Q100-D104 PolarHBondContact O-N 3.46Å; V101-D104 PolarHBondContact O-N 3.28Å; D104-A106 PolarHBondContact O-N 2.84Å
105	G	37.4	Very low	37.7	Very low	64 Å²	64	110.2 Å²	110.2	66%	0.66	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	14.3	-177.4	0	0	0	0	0	117.1	V101 R103 S107	V101-G105 PolarHBondContact O-N 3.15Å; R103-G105 VanDerWaalsContact C-N 3.33Å; R103-G105 PolarHBondContact O-N 2.98Å; G105-S107 VanDerWaalsContact C-N 3.26Å; G105-S107 PolarHBondContact O-N 3.16Å
106	A	32	Very low	36.9	Very low	83 Å²	83	116.3 Å²	116.3	69%	0.686	63%	0.634	S	S	*	*			trans	-77.9	22.8	-163.6	0	0	0	0	0	117	D104	D104-A106 PolarHBondContact O-N 2.84Å
107	S	31.7	Very low	36	Very low	103 Å²	103	117.2 Å²	117.2	72%	0.72	64%	0.643	S	S	*	*			trans	-155.1	77.3	-173.2	63.9	0	0	0	0	116	G105	G105-S107 VanDerWaalsContact C-N 3.26Å; G105-S107 PolarHBondContact O-N 3.16Å
108	Q	27.6	Very low	35	Very low	191 Å²	191	113.4 Å²	113.4	89%	0.893	63%	0.631	S	S	*	*			trans	-167.9	119.5	149.6	-109.3	163.3	31.9	0	0	110.4
109	E	26.2	Very low	33.9	Very low	196 Å²	196	120.3 Å²	120.3	92%	0.916	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-100	127.5	173.3	-70.4	-170.4	156.1	0	0	111.1
110	P	28.2	Very low	33.2	Very low	125 Å²	125	120 Å²	120	81%	0.812	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-86.6	138.2	163.1	32.9	-30.2	0	0	0	111.1
111	G	28.7	Very low	32.7	Very low	72 Å²	72	124 Å²	124	74%	0.742	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-71.8	160.8	-177.2	0	0	0	0	0	114.8
112	P	32.3	Very low	32	Very low	130 Å²	130	127.7 Å²	127.7	84%	0.844	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-88.2	132.8	-173	33.4	-34	0	0	0	113.6
113	D	26.6	Very low	31.5	Very low	151 Å²	151	131.9 Å²	131.9	81%	0.807	72%	0.715	S	S	*	*			trans	-164.9	166.1	131.3	-132	-32.1	0	0	0	114.4
114	S	26.5	Very low	31.1	Very low	61 Å²	61	128.5 Å²	128.5	43%	0.427	72%	0.717	S	S	.	*			trans	69.2	82.9	169.1	66.5	0	0	0	0	119	R148	S114-R148 PolarHBondContact OG-NH1 3Å
115	F	26.7	Very low	30.8	Very low	193 Å²	193	130 Å²	130	85%	0.846	72%	0.724	S	S	*	*			trans	-71.5	153.4	162.9	-69.2	-99.8	0	0	0	113
116	M	26.1	Very low	30.6	Very low	164 Å²	164	132.5 Å²	132.5	81%	0.808	72%	0.722	S	S	*	*			trans	-119.3	137.9	154.4	-76.8	-174.3	62.8	0	0	109
117	D	23.8	Very low	30.7	Very low	129 Å²	129	134.4 Å²	134.4	69%	0.69	72%	0.717	S	S	*	*			trans	-70.1	138.5	-176.5	-57.8	-59.8	0	0	0	111.3
118	F	30.2	Very low	30.8	Very low	102 Å²	102	132.8 Å²	132.8	45%	0.447	71%	0.705	S	S	.	*			trans	-127.3	133.4	179.9	-173	-81.9	0	0	0	108.9	D120 F150	F118-D120 HydrophobicContact CD1-CB 4.33Å; F118-D120 HydrophobicContact CE1-CB 4.01Å; F118-F150 HydrophobicContact CB-CE1 4.2Å; F118-F150 HydrophobicContact CB-CE2 4.18Å; F118-F150 HydrophobicContact CB-CZ 3.47Å; F118-F150 VanDerWaalsContact CB-CZ 3.47Å; F118-F150 HydrophobicContact CD2-CE2 4.44Å; F118-F150 HydrophobicContact CD2-CZ 4.15Å; F118-F150 HydrophobicContact CG-CE1 4.31Å; F118-F150 AromaticContact CG-CZ 3.95Å; F118-F150 HydrophobicContact CG-CZ 3.95Å
119	H	26.3	Very low	31.2	Very low	179 Å²	179	130.5 Å²	130.5	83%	0.829	70%	0.699	S	S	*	*			trans	-110	121.3	171.1	-93	1	0	0	0	109.4
120	D	34	Very low	31.7	Very low	49 Å²	49	125.5 Å²	125.5	26%	0.262	68%	0.677	S	S	.	*			trans	-102.6	104.1	170.4	-150.6	-6.1	0	0	0	104.7	F118 D122 F123 K186	F118-D120 HydrophobicContact CD1-CB 4.33Å; F118-D120 HydrophobicContact CE1-CB 4.01Å; D120-D122 PolarHBondContact O-N 2.87Å; D120-D122 VanDerWaalsContact O-N 3.09Å; D120-F123 CarbonylContact O-C 3.55Å; D120-F123 PolarHBondContact O-N 2.61Å; D120-K186 IonicContact OD2-NZ 3.6Å; D120-K186 PolarHBondContact OD2-NZ 2.85Å
121	E	38	Very low	31.8	Very low	197 Å²	197	126.5 Å²	126.5	92%	0.921	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-20.7	-171	-69.7	-161.4	134.3	0	0	112.9
122	D	37.2	Very low	31.9	Very low	154 Å²	154	128.1 Å²	128.1	82%	0.824	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-8.6	173.6	-72.4	-47.7	0	0	0	114.3	D120	D120-D122 PolarHBondContact O-N 2.87Å; D120-D122 VanDerWaalsContact O-N 3.09Å
123	F	38	Very low	31.9	Very low	121 Å²	121	130.3 Å²	130.3	53%	0.531	67%	0.668	S	S	.	*			trans	-155.7	84.7	-175.9	-140.8	-89.8	0	0	0	115.2	D120 V189	D120-F123 CarbonylContact O-C 3.55Å; D120-F123 PolarHBondContact O-N 2.61Å; F123-V189 HydrophobicContact CE1-CG1 4.29Å; F123-V189 HydrophobicContact CZ-CG1 3.86Å
124	P	34.2	Very low	32.1	Very low	115 Å²	115	130.6 Å²	130.6	75%	0.747	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-71.6	140.5	175.5	29.4	-34.5	0	0	0	112.7
125	L	34.3	Very low	32.2	Very low	150 Å²	150	137 Å²	137	79%	0.785	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-103.1	147.9	172.4	-68.6	171.9	0	0	0	110.7
126	D	33.3	Very low	32.2	Very low	118 Å²	118	137.5 Å²	137.5	63%	0.631	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-70.1	130.3	-174.8	-179.9	28.7	0	0	0	113	S128	D126-S128 PolarHBondContact O-N 2.85Å; D126-S128 VanDerWaalsContact O-N 3.17Å; D126-S128 VanDerWaalsContact OD2-CB 3.32Å; D126-S128 WeakPolarHBondContact OD2-CB 3.48Å; D126-S128 PolarHBondContact OD2-OG 3.42Å
127	E	33.9	Very low	32.2	Very low	123 Å²	123	140.1 Å²	140.1	58%	0.575	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-68.4	-13.9	-174.6	-66.5	-161.3	155.3	0	0	114.3	L129 I130 K131	E127-L129 VanDerWaalsContact C-N 3.25Å; E127-L129 PolarHBondContact O-N 2.92Å; E127-I130 PolarHBondContact O-N 2.89Å; E127-K131 IonicContact OE2-NZ 3.57Å; E127-K131 PolarHBondContact OE2-NZ 3.01Å
128	S	33.8	Very low	32.6	Very low	68 Å²	68	145 Å²	145	48%	0.476	70%	0.699	S	S	.	*	G	3₁₀ helix	trans	-58.6	-33.1	-170.4	62.5	0	0	0	0	113.7	D126	D126-S128 PolarHBondContact O-N 2.85Å; D126-S128 VanDerWaalsContact O-N 3.17Å; D126-S128 VanDerWaalsContact OD2-CB 3.32Å; D126-S128 WeakPolarHBondContact OD2-CB 3.48Å; D126-S128 PolarHBondContact OD2-OG 3.42Å
129	L	37.9	Very low	32.7	Very low	144 Å²	144	150 Å²	150	75%	0.754	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-79.6	-27.9	-175.3	-63.7	173.5	0	0	0	114.2	E127 K131	E127-L129 VanDerWaalsContact C-N 3.25Å; E127-L129 PolarHBondContact O-N 2.92Å; L129-K131 PolarHBondContact O-N 2.96Å
130	I	35.8	Very low	32.6	Very low	90 Å²	90	145.2 Å²	145.2	46%	0.462	72%	0.72	S	S	.	*	G	3₁₀ helix	trans	-75.1	-25.5	-166.7	-59.7	174.6	0	0	0	112.4	E127 S132	E127-I130 PolarHBondContact O-N 2.89Å; I130-S132 PolarHBondContact O-N 3.4Å
131	K	29.6	Very low	32.7	Very low	147 Å²	147	148 Å²	148	64%	0.639	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-80.6	-12.2	-167.2	-70.5	160	-173.8	162.4	0	114.1	E127 L129	E127-K131 IonicContact OE2-NZ 3.57Å; E127-K131 PolarHBondContact OE2-NZ 3.01Å; L129-K131 PolarHBondContact O-N 2.96Å
132	S	32.2	Very low	32.3	Very low	106 Å²	106	145 Å²	145	74%	0.741	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-83.2	-18.3	-170.3	-59.1	0	0	0	0	116.1	I130	I130-S132 PolarHBondContact O-N 3.4Å
133	Q	32.3	Very low	32	Very low	175 Å²	175	143.3 Å²	143.3	82%	0.818	73%	0.733	S	S	*	*	S	Bend	trans	-112	-19.6	-169.6	-66.1	-175.1	-5.1	0	0	115.9	K135	Q133-K135 PolarHBondContact O-N 2.78Å
134	K	29.6	Very low	31.9	Very low	158 Å²	158	147.8 Å²	147.8	69%	0.687	75%	0.753	S	S	*	*			trans	-74.1	43.8	-170.7	-74.9	-179.3	173.4	172.2	0	115.1
135	K	28.2	Very low	31.8	Very low	195 Å²	195	145.9 Å²	145.9	85%	0.848	75%	0.754	S	S	*	*			trans	-136.2	30.5	-174.9	-144.1	175.6	-174.8	175.8	0	118	Q133	Q133-K135 PolarHBondContact O-N 2.78Å
136	K	28.1	Very low	31.8	Very low	204 Å²	204	147.6 Å²	147.6	89%	0.887	76%	0.758	S	S	*	*	S	Bend	trans	-168.3	91.5	161.5	-115.5	171.6	-174.2	178.7	0	116
137	K	26.5	Very low	32.3	Very low	219 Å²	219	149 Å²	149	95%	0.952	76%	0.76	S	S	*	*			trans	171.8	169.2	132.7	-104.2	178	172.6	179.2	0	111.8
138	R	31.2	Very low	32.8	Very low	231 Å²	231	151.1 Å²	151.1	87%	0.872	76%	0.763	S	S	*	*			trans	-157.8	144.8	-174.6	-159.7	-179.9	-176.7	-169.1	2	109.8
139	K	31.6	Very low	33.5	Very low	206 Å²	206	151.2 Å²	151.2	90%	0.896	76%	0.761	S	S	*	*			trans	68.3	115.1	177.7	-62.2	-173.1	174.3	-173.5	0	116.7
140	G	24.6	Very low	34.4	Very low	79 Å²	79	149.5 Å²	149.5	81%	0.814	75%	0.747	S	S	*	*			trans	-172.9	146.1	163.7	0	0	0	0	0	106.5
141	A	35.7	Very low	35.8	Very low	108 Å²	108	146.6 Å²	146.6	89%	0.893	74%	0.74	S	S	*	*			trans	-122.2	126.6	174.5	0	0	0	0	0	108
142	E	30.2	Very low	37.9	Very low	133 Å²	133	142.9 Å²	142.9	62%	0.621	73%	0.73	S	S	*	*			trans	-114.3	153.4	-169.5	-81	-178	179.5	0	0	112.6	R148	E142-R148 IonicContact OE2-CZ 3.65Å; E142-R148 IonicContact OE2-NH2 3.48Å; E142-R148 PolarHBondContact OE2-NH2 3.04Å
143	P	30.5	Very low	39.9	Very low	119 Å²	119	140.6 Å²	140.6	77%	0.773	72%	0.717	S	S	*	*			trans	-71.6	148.3	-178	30.4	-35.9	0	0	0	112.3
144	K	35.5	Very low	41.9	Very low	215 Å²	215	134.6 Å²	134.6	94%	0.935	69%	0.69	S	S	*	*	S	Bend	trans	-96.9	120.4	166.1	-69.3	178	177	177.7	0	108.6
145	G	33.2	Very low	43.9	Very low	75 Å²	75	130.6 Å²	130.6	77%	0.773	69%	0.687	S	S	*	*			trans	-174.7	-37.1	177.7	0	0	0	0	0	114.7
146	E	33.7	Very low	45.6	Very low	186 Å²	186	124.8 Å²	124.8	87%	0.869	68%	0.683	S	S	*	*	S	Bend	trans	-104	145.9	-170.9	-67.1	177.2	160.7	0	0	113.9	R148	E146-R148 PolarHBondContact O-N 2.9Å; E146-R148 VanDerWaalsContact O-N 3.13Å
147	H	43.7	Very low	47.8	Very low	148 Å²	148	116.8 Å²	116.8	69%	0.685	65%	0.651	S	S	*	*			trans	-77.5	94.7	-179.5	-65.5	-74.4	0	0	0	110.8	V149	H147-V149 PolarHBondContact O-N 3.07Å; H147-V149 VanDerWaalsContact O-N 3.1Å
148	R	44.5	Very low	49.7	Very low	167 Å²	167	110.1 Å²	110.1	63%	0.63	64%	0.636	S	S	*	*			trans	-63.3	113.6	174.8	-66.9	-173.1	177.8	-168.9	-3.7	110.8	S114 E142 E146	S114-R148 PolarHBondContact OG-NH1 3Å; E142-R148 IonicContact OE2-CZ 3.65Å; E142-R148 IonicContact OE2-NH2 3.48Å; E142-R148 PolarHBondContact OE2-NH2 3.04Å; E146-R148 PolarHBondContact O-N 2.9Å; E146-R148 VanDerWaalsContact O-N 3.13Å
149	V	48.5	Very low	51.8	Low	71 Å²	71	100.8 Å²	100.8	43%	0.43	61%	0.605	S	S	.	*			trans	-56.9	136.9	172.2	178.5	0	0	0	0	109.4	H147 A176 F181	H147-V149 PolarHBondContact O-N 3.07Å; H147-V149 VanDerWaalsContact O-N 3.1Å; V149-A176 HydrophobicContact CB-CB 4.09Å; V149-A176 HydrophobicContact CG1-CB 3.51Å; V149-A176 HydrophobicContact CG2-CB 3.37Å; V149-F181 HydrophobicContact CG1-CE1 3.92Å; V149-F181 HydrophobicContact CG1-CZ 4.28Å
150	F	57.6	Low	53.9	Low	107 Å²	107	91.6 Å²	91.6	47%	0.469	57%	0.566	S	S	.	*			trans	-94	128.7	174.1	-161.3	-88.8	0	0	0	111	F118 P183 Q202	F118-F150 HydrophobicContact CB-CE1 4.2Å; F118-F150 HydrophobicContact CB-CE2 4.18Å; F118-F150 HydrophobicContact CB-CZ 3.47Å; F118-F150 VanDerWaalsContact CB-CZ 3.47Å; F118-F150 HydrophobicContact CD2-CE2 4.44Å; F118-F150 HydrophobicContact CD2-CZ 4.15Å; F118-F150 HydrophobicContact CG-CE1 4.31Å; F118-F150 AromaticContact CG-CZ 3.95Å; F118-F150 HydrophobicContact CG-CZ 3.95Å; F150-P183 WeakPolarHBondContact O-CG 3.21Å; F150-Q202 PolarHBondContact O-NE2 2.72Å
151	G	64.7	Low	56.3	Low	30 Å²	30	95 Å²	95	31%	0.309	57%	0.566	S	S	.	*	S	Bend	trans	78.4	164.8	-179.6	0	0	0	0	0	114.7
152	T	72.9	Confident	58.2	Low	69 Å²	69	92 Å²	92	42%	0.423	54%	0.537	S	S	.	.			trans	-76.4	139	-175.1	55.3	0	0	0	0	112.5	S184 E185	T152-S184 WeakPolarHBondContact O-CB 3.31Å; T152-S184 PolarHBondContact O-N 3.19Å; T152-S184 PolarHBondContact OG1-OG 3.03Å; T152-E185 WeakPolarHBondContact CB-OE1 2.99Å; T152-E185 WeakPolarHBondContact CG2-OE1 3.49Å; T152-E185 PolarHBondContact N-OE1 2.9Å; T152-E185 PolarHBondContact OG1-OE1 2.83Å
153	A	75.7	Confident	60.4	Low	57 Å²	57	88.6 Å²	88.6	47%	0.471	53%	0.528	S	S	.	.			trans	-85.2	146.3	160.4	0	0	0	0	0	109.6	C173 F181	A153-C173 CarbonylContact C-O 3.58Å; A153-C173 WeakPolarHBondContact CA-O 3.45Å; A153-F181 HydrophobicContact CB-CE2 3.92Å; A153-F181 HydrophobicContact CB-CZ 4.17Å
154	D	74.6	Confident	62.3	Low	49 Å²	49	83.1 Å²	83.1	26%	0.262	49%	0.492	S	S	.	.			trans	-142.5	100.4	178.6	-175.6	-14.6	0	0	0	109.1	G156 V157 C173 K188	D154-G156 PolarHBondContact O-N 2.9Å; D154-G156 WeakPolarHBondContact OD1-CA 3.5Å; D154-G156 PolarHBondContact OD1-N 3.19Å; D154-V157 HydrophobicContact CB-CG2 4.28Å; D154-V157 WeakPolarHBondContact OD2-CG2 3.48Å; D154-C173 PolarHBondContact N-O 2.83Å; D154-K188 VanDerWaalsContact OD2-CE 3.29Å; D154-K188 WeakPolarHBondContact OD2-CE 3.32Å; D154-K188 IonicContact OD2-NZ 2.87Å; D154-K188 PolarHBondContact OD2-NZ 3.36Å
155	A	71.3	Confident	63.7	Low	75 Å²	75	76.4 Å²	76.4	62%	0.62	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-8.6	179	0	0	0	0	0	113.7	V157	A155-V157 VanDerWaalsContact C-N 3.33Å
156	G	64	Low	64.8	Low	73 Å²	73	75.4 Å²	75.4	75%	0.753	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.2	177.5	0	0	0	0	0	114.3	D154	D154-G156 PolarHBondContact O-N 2.9Å; D154-G156 WeakPolarHBondContact OD1-CA 3.5Å; D154-G156 PolarHBondContact OD1-N 3.19Å
157	V	73.1	Confident	65.9	Low	36 Å²	36	68.4 Å²	68.4	22%	0.218	43%	0.433	C	S	.	.	S	Bend	trans	-98.2	131.8	-176.8	-173.8	0	0	0	0	111.2	D154 A155 F187 M191	D154-V157 HydrophobicContact CB-CG2 4.28Å; D154-V157 WeakPolarHBondContact OD2-CG2 3.48Å; A155-V157 VanDerWaalsContact C-N 3.33Å; V157-F187 HydrophobicContact CG1-CD1 4.18Å; V157-F187 HydrophobicContact CG1-CE1 3.8Å; V157-M191 HydrophobicContact CG1-CE 4.38Å
158	A	67.6	Low	66.7	Low	78 Å²	78	63.5 Å²	63.5	65%	0.645	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-62.1	143	177.3	0	0	0	0	0	113
159	V	74	Confident	67.8	Low	36 Å²	36	56.3 Å²	56.3	22%	0.218	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-62.8	137.9	173.5	-178.3	0	0	0	0	109.8	L99 L102 L170 H172	L99-V159 HydrophobicContact CD2-CB 3.91Å; L99-V159 HydrophobicContact CD2-CG1 4.05Å; L99-V159 HydrophobicContact CD2-CG2 4.04Å; L102-V159 HydrophobicContact CB-CG2 4.39Å; L102-V159 HydrophobicContact CD1-CG1 4.42Å; L102-V159 HydrophobicContact CD1-CG2 3.63Å; L102-V159 HydrophobicContact CG-CG2 4.47Å; V159-L170 HydrophobicContact CG1-CB 4.14Å; V159-L170 HydrophobicContact CG1-CD1 4.04Å; V159-H172 HydrophobicContact CG1-CB 4.28Å; V159-H172 HydrophobicContact CG2-CB 4.28Å
160	S	75.8	Confident	69.2	Low	12 Å²	12	53.4 Å²	53.4	8%	0.084	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-87.6	148.1	178.5	73.3	0	0	0	0	112.5	T162 L171 L196	S160-T162 PolarHBondContact O-N 3.4Å; S160-T162 VanDerWaalsContact O-N 3.16Å; S160-L171 PolarHBondContact N-O 2.95Å; S160-L171 VanDerWaalsContact N-O 3.1Å; S160-L171 PolarHBondContact OG-O 2.88Å; S160-L196 WeakPolarHBondContact OG-CD2 3.35Å
161	D	74.8	Confident	70.3	Confident	150 Å²	150	48.3 Å²	48.3	80%	0.802	36%	0.359	S	S	*	.	S	Bend	trans	-72.3	2.4	172.9	-61.9	-55.8	0	0	0	113.8
162	T	76.3	Confident	71.2	Confident	46 Å²	46	47 Å²	47	28%	0.282	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-95.5	127.9	-176.7	-52.9	0	0	0	0	111.3	S160 L171 L196	S160-T162 PolarHBondContact O-N 3.4Å; S160-T162 VanDerWaalsContact O-N 3.16Å; T162-L171 PolarHBondContact O-N 2.83Å; T162-L196 HydrophobicContact CG2-CB 4.18Å; T162-L196 HydrophobicContact CG2-CG 4.43Å
163	S	76.9	Confident	71.6	Confident	62 Å²	62	43.7 Å²	43.7	43%	0.434	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-81.6	141.3	175.7	49.1	0	0	0	0	112.6	S165 G168 A169	S163-S165 PolarHBondContact O-N 2.6Å; S163-G168 VanDerWaalsContact CB-O 3.23Å; S163-G168 WeakPolarHBondContact CB-O 3.36Å; S163-A169 WeakPolarHBondContact CA-O 3.42Å
164	C	71.1	Confident	71.7	Confident	3 Å²	3	42 Å²	42	2%	0.02	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-58.7	128.5	170.8	166.3	0	0	0	0	110.9	G166 C167 G168 A169 L171 C201	C164-G166 PolarHBondContact O-N 3.36Å; C164-G166 VanDerWaalsContact O-N 3.15Å; C164-G166 PolarHBondContact SG-N 3.17Å; C164-G166 VanDerWaalsContact SG-N 3.42Å; C164-C167 PolarHBondContact O-N 2.9Å; C164-C167 PolarHBondContact SG-N 2.83Å; C164-G168 WeakPolarHBondContact O-CA 3.34Å; C164-G168 PolarHBondContact O-N 3.22Å; C164-A169 WeakPolarHBondContact CB-O 3.42Å; C164-A169 PolarHBondContact N-O 3.26Å; C164-L171 HydrophobicContact CB-CD2 3.81Å; C164-L171 HydrophobicContact CB-CG 4.24Å; C164-C201 HydrophobicContact CB-CB 4.18Å; C164-C201 PolarHBondContact SG-N 2.62Å
165	S	63.8	Low	71.7	Confident	75 Å²	75	41.3 Å²	41.3	52%	0.524	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31	-179	55.9	0	0	0	0	114.3	S163 G198 A199 T200	S163-S165 PolarHBondContact O-N 2.6Å; S165-G198 WeakPolarHBondContact CB-O 3.28Å; S165-G198 PolarHBondContact OG-O 2.63Å; S165-A199 PolarHBondContact N-O 2.6Å; S165-A199 VanDerWaalsContact N-O 3.09Å; S165-A199 PolarHBondContact OG-O 2.93Å; S165-T200 WeakPolarHBondContact OG-CG2 3.49Å
166	G	57.2	Low	71.6	Confident	54 Å²	54	38.6 Å²	38.6	56%	0.557	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-49	177.5	0	0	0	0	0	116.4	C164	C164-G166 PolarHBondContact O-N 3.36Å; C164-G166 VanDerWaalsContact O-N 3.15Å; C164-G166 PolarHBondContact SG-N 3.17Å; C164-G166 VanDerWaalsContact SG-N 3.42Å
167	C	56.6	Low	71.4	Confident	39 Å²	39	42.4 Å²	42.4	26%	0.264	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-2.6	-172	67.2	0	0	0	0	115.8	C164 A169 C201 C204	C164-C167 PolarHBondContact O-N 2.9Å; C164-C167 PolarHBondContact SG-N 2.83Å; C167-A169 PolarHBondContact O-N 2.84Å; C167-A169 VanDerWaalsContact O-N 3.08Å; C167-C201 PolarHBondContact SG-SG 3.19Å; C167-C204 VanDerWaalsContact CB-SG 3.52Å; C167-C204 PolarHBondContact N-SG 2.89Å; C167-C204 VanDerWaalsContact N-SG 3.4Å
168	G	59.6	Low	71.1	Confident	44 Å²	44	42.9 Å²	42.9	45%	0.454	29%	0.293	S	S	.	.			trans	72.7	-10.1	178.1	0	0	0	0	0	116.4	S163 C164	S163-G168 VanDerWaalsContact CB-O 3.23Å; S163-G168 WeakPolarHBondContact CB-O 3.36Å; C164-G168 WeakPolarHBondContact O-CA 3.34Å; C164-G168 PolarHBondContact O-N 3.22Å
169	A	68.5	Low	70.9	Confident	16 Å²	16	41.1 Å²	41.1	13%	0.132	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-67.8	147.4	174.8	0	0	0	0	0	111.6	S163 C164 C167 P179	S163-A169 WeakPolarHBondContact CA-O 3.42Å; C164-A169 WeakPolarHBondContact CB-O 3.42Å; C164-A169 PolarHBondContact N-O 3.26Å; C167-A169 PolarHBondContact O-N 2.84Å; C167-A169 VanDerWaalsContact O-N 3.08Å; A169-P179 HydrophobicContact CB-CB 4.02Å
170	L	78	Confident	70.6	Confident	11 Å²	11	39.4 Å²	39.4	6%	0.058	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-60.5	139.5	175.8	-69.8	-171.3	0	0	0	111.5	L95 V159 H172 G180	L95-L170 HydrophobicContact CD1-CD1 3.7Å; L95-L170 HydrophobicContact CD1-CD2 4.16Å; L95-L170 HydrophobicContact CD1-CG 3.82Å; L95-L170 HydrophobicContact CD2-CD1 4.18Å; L95-L170 HydrophobicContact CG-CD1 3.68Å; L95-L170 HydrophobicContact CG-CG 4.38Å; V159-L170 HydrophobicContact CG1-CB 4.14Å; V159-L170 HydrophobicContact CG1-CD1 4.04Å; L170-H172 PolarHBondContact O-CD2 2.9Å; L170-G180 WeakPolarHBondContact O-CA 3.25Å
171	L	80.8	Confident	70.9	Confident	0 Å²	0	39 Å²	39	0%	0	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-78.6	131.2	177.4	-67.2	166.4	0	0	0	110.8	S160 T162 C164 G180 F187 L196 A199 C201	S160-L171 PolarHBondContact N-O 2.95Å; S160-L171 VanDerWaalsContact N-O 3.1Å; S160-L171 PolarHBondContact OG-O 2.88Å; T162-L171 PolarHBondContact O-N 2.83Å; C164-L171 HydrophobicContact CB-CD2 3.81Å; C164-L171 HydrophobicContact CB-CG 4.24Å; L171-G180 WeakPolarHBondContact CA-O 3.33Å; L171-F187 HydrophobicContact CB-CD2 4.42Å; L171-F187 HydrophobicContact CB-CE2 3.92Å; L171-F187 WeakPolarHBondContact O-CE2 3.47Å; L171-F187 WeakPolarHBondContact O-CZ 3.47Å; L171-L196 HydrophobicContact CD1-CD1 4.43Å; L171-L196 HydrophobicContact CD1-CG 3.92Å; L171-A199 HydrophobicContact CD1-CB 3.94Å; L171-C201 HydrophobicContact CD2-CB 3.85Å
172	H	83	Confident	71.2	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-148.8	165	179	62.6	84	0	0	0	110.6	V159 L170 A175 L178 P179 G180 F181 L182	V159-H172 HydrophobicContact CG1-CB 4.28Å; V159-H172 HydrophobicContact CG2-CB 4.28Å; L170-H172 PolarHBondContact O-CD2 2.9Å; H172-A175 PolarHBondContact CE1-O 2.84Å; H172-L178 WeakPolarHBondContact CE1-CB 3.29Å; H172-L178 PolarHBondContact CE1-O 3.15Å; H172-L178 PolarHBondContact NE2-O 3.45Å; H172-P179 PolarHBondContact NE2-O 3.39Å; H172-G180 PolarHBondContact N-O 3.21Å; H172-G180 WeakPolarHBondContact NE2-CA 3.12Å; H172-G180 PolarHBondContact NE2-N 2.99Å; H172-F181 WeakPolarHBondContact CE1-CB 3.49Å; H172-F181 AromaticContact CE1-CD2 3.84Å; H172-F181 PolarHBondContact NE2-N 2.77Å; H172-F181 CarbonylContact O-C 3.34Å; H172-F181 WeakPolarHBondContact O-CA 3.35Å; H172-L182 PolarHBondContact O-N 2.84Å
173	C	81.8	Confident	71.6	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.007	22%	0.217	C	C	.	.	S	Bend	trans	-120.7	15.2	171.1	63.5	0	0	0	0	113.6	A153 D154 F181 L182 F187	A153-C173 CarbonylContact C-O 3.58Å; A153-C173 WeakPolarHBondContact CA-O 3.45Å; D154-C173 PolarHBondContact N-O 2.83Å; C173-F181 WeakPolarHBondContact O-CE2 3.36Å; C173-L182 WeakPolarHBondContact CA-O 3.3Å; C173-L182 WeakPolarHBondContact CB-O 3.28Å; C173-F187 HydrophobicContact CB-CB 4.07Å; C173-F187 HydrophobicContact CB-CD1 3.93Å; C173-F187 HydrophobicContact CB-CG 4.14Å; C173-F187 WeakPolarHBondContact SG-CD1 3.14Å
174	A	77.8	Confident	71.8	Confident	20 Å²	20	28.2 Å²	28.2	17%	0.165	20%	0.198	C	C	.	.	S	Bend	trans	-80.3	-39.9	-168.1	0	0	0	0	0	114.6	L102	L102-A174 HydrophobicContact CD2-CB 3.79Å
175	A	73.9	Confident	72.3	Confident	35 Å²	35	32.2 Å²	32.2	29%	0.289	22%	0.217	S	C	.	.			trans	-147.9	133	-179.8	0	0	0	0	0	111.7	H172 D177 L178 F181	H172-A175 PolarHBondContact CE1-O 2.84Å; A175-D177 PolarHBondContact O-N 2.91Å; A175-L178 HydrophobicContact CB-CD1 4.03Å; A175-L178 HydrophobicContact CB-CG 4.25Å; A175-L178 PolarHBondContact O-N 3.35Å; A175-F181 VanDerWaalsContact O-CD2 3.28Å; A175-F181 WeakPolarHBondContact O-CD2 3.48Å
176	A	68.4	Low	73	Confident	18 Å²	18	32.7 Å²	32.7	15%	0.149	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-37.1	-168.7	0	0	0	0	0	114.6	V149 L178 F181	V149-A176 HydrophobicContact CB-CB 4.09Å; V149-A176 HydrophobicContact CG1-CB 3.51Å; V149-A176 HydrophobicContact CG2-CB 3.37Å; A176-L178 PolarHBondContact O-N 3.04Å; A176-F181 HydrophobicContact CB-CD1 4.27Å; A176-F181 HydrophobicContact CB-CE1 4.19Å; A176-F181 HydrophobicContact CB-CE2 4.47Å; A176-F181 HydrophobicContact CB-CG 4.46Å; A176-F181 HydrophobicContact CB-CZ 4.29Å
177	D	60.4	Low	74.2	Confident	154 Å²	154	30.1 Å²	30.1	82%	0.824	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.1	-174.8	-50.9	-70.4	0	0	0	113.2	A175	A175-D177 PolarHBondContact O-N 2.91Å
178	L	66.3	Low	75.3	Confident	46 Å²	46	32.5 Å²	32.5	24%	0.241	19%	0.189	C	C	.	.	S	Bend	trans	-87.5	137.2	-177.4	-64	-179.2	0	0	0	112.1	V101 L102 H172 A175 A176 G180 F181	V101-L178 HydrophobicContact CG1-CD1 3.92Å; V101-L178 HydrophobicContact CG1-CD2 3.94Å; L102-L178 HydrophobicContact CD2-CD1 3.54Å; L102-L178 HydrophobicContact CG-CD1 3.93Å; H172-L178 WeakPolarHBondContact CE1-CB 3.29Å; H172-L178 PolarHBondContact CE1-O 3.15Å; H172-L178 PolarHBondContact NE2-O 3.45Å; A175-L178 HydrophobicContact CB-CD1 4.03Å; A175-L178 HydrophobicContact CB-CG 4.25Å; A175-L178 PolarHBondContact O-N 3.35Å; A176-L178 PolarHBondContact O-N 3.04Å; L178-G180 PolarHBondContact O-N 3.48Å; L178-F181 PolarHBondContact O-N 2.9Å
179	P	63.9	Low	76.2	Confident	40 Å²	40	33.2 Å²	33.2	26%	0.26	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	133.8	-179.8	27.5	-35.1	0	0	0	110.5	Q98 A169 H172	Q98-P179 PolarHBondContact NE2-O 3.48Å; A169-P179 HydrophobicContact CB-CB 4.02Å; H172-P179 PolarHBondContact NE2-O 3.39Å
180	G	68.4	Low	76.7	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.01	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.2	-5.4	-175	0	0	0	0	0	115.1	L170 L171 H172 L178 L182	L170-G180 WeakPolarHBondContact O-CA 3.25Å; L171-G180 WeakPolarHBondContact CA-O 3.33Å; H172-G180 PolarHBondContact N-O 3.21Å; H172-G180 WeakPolarHBondContact NE2-CA 3.12Å; H172-G180 PolarHBondContact NE2-N 2.99Å; L178-G180 PolarHBondContact O-N 3.48Å; G180-L182 PolarHBondContact O-N 3.21Å
181	F	80.8	Confident	76.8	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.018	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-55.9	135	177	-178.2	-103.6	0	0	0	113.1	V149 A153 H172 C173 A175 A176 L178 C201 Q202	V149-F181 HydrophobicContact CG1-CE1 3.92Å; V149-F181 HydrophobicContact CG1-CZ 4.28Å; A153-F181 HydrophobicContact CB-CE2 3.92Å; A153-F181 HydrophobicContact CB-CZ 4.17Å; H172-F181 WeakPolarHBondContact CE1-CB 3.49Å; H172-F181 AromaticContact CE1-CD2 3.84Å; H172-F181 PolarHBondContact NE2-N 2.77Å; H172-F181 CarbonylContact O-C 3.34Å; H172-F181 WeakPolarHBondContact O-CA 3.35Å; C173-F181 WeakPolarHBondContact O-CE2 3.36Å; A175-F181 VanDerWaalsContact O-CD2 3.28Å; A175-F181 WeakPolarHBondContact O-CD2 3.48Å; A176-F181 HydrophobicContact CB-CD1 4.27Å; A176-F181 HydrophobicContact CB-CE1 4.19Å; A176-F181 HydrophobicContact CB-CE2 4.47Å; A176-F181 HydrophobicContact CB-CG 4.46Å; A176-F181 HydrophobicContact CB-CZ 4.29Å; L178-F181 PolarHBondContact O-N 2.9Å; F181-C201 WeakPolarHBondContact O-CB 3.22Å; F181-Q202 HydrophobicContact CD1-CB 4.25Å; F181-Q202 WeakPolarHBondContact O-CB 3.22Å; F181-Q202 PolarHBondContact O-N 2.88Å
182	L	82.8	Confident	76.5	Confident	8 Å²	8	42 Å²	42	4%	0.042	24%	0.24	C	C	.	.			trans	-136.8	138.6	171.6	-171.3	70.2	0	0	0	108.1	H172 C173 G180 K186 F187 L190	H172-L182 PolarHBondContact O-N 2.84Å; C173-L182 WeakPolarHBondContact CA-O 3.3Å; C173-L182 WeakPolarHBondContact CB-O 3.28Å; G180-L182 PolarHBondContact O-N 3.21Å; L182-K186 HydrophobicContact CG-CB 4.41Å; L182-F187 HydrophobicContact CB-CB 4.41Å; L182-F187 HydrophobicContact CB-CD2 4.49Å; L182-F187 HydrophobicContact CD2-CB 4.12Å; L182-F187 HydrophobicContact CD2-CD2 4.21Å; L182-F187 HydrophobicContact CG-CB 4.4Å; L182-L190 HydrophobicContact CD2-CD1 4.17Å
183	P	84.6	Confident	76.1	Confident	15 Å²	15	45.8 Å²	45.8	10%	0.097	26%	0.263	C	S	.	.			trans	-52.4	141.1	179.4	-29.7	37.4	0	0	0	113.3	F150 E185 K186 F187	F150-P183 WeakPolarHBondContact O-CG 3.21Å; P183-E185 WeakPolarHBondContact CB-OE2 3.33Å; P183-E185 PolarHBondContact O-N 3.26Å; P183-E185 VanDerWaalsContact O-N 3.15Å; P183-K186 PolarHBondContact O-N 2.82Å; P183-K186 VanDerWaalsContact O-N 3.08Å; P183-F187 WeakPolarHBondContact O-CB 3.46Å; P183-F187 PolarHBondContact O-N 3.13Å
184	S	81.4	Confident	75.6	Confident	7 Å²	7	48.9 Å²	48.9	5%	0.049	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-32.2	-172.7	94.5	0	0	0	0	112.7	T152 K188	T152-S184 WeakPolarHBondContact O-CB 3.31Å; T152-S184 PolarHBondContact O-N 3.19Å; T152-S184 PolarHBondContact OG1-OG 3.03Å; S184-K188 VanDerWaalsContact O-CB 3.32Å; S184-K188 WeakPolarHBondContact O-CB 3.14Å; S184-K188 VanDerWaalsContact O-CD 3.27Å; S184-K188 WeakPolarHBondContact O-CD 3.29Å; S184-K188 WeakPolarHBondContact O-CG 3.47Å; S184-K188 PolarHBondContact O-N 3.31Å; S184-K188 PolarHBondContact OG-NZ 2.72Å
185	E	80.4	Confident	75.3	Confident	87 Å²	87	55.3 Å²	55.3	41%	0.407	32%	0.319	S	S	.	.	H	α-helix	trans	-65.1	-48.1	177.8	-43	79.4	-174.9	0	0	110.5	T152 P183 V189	T152-E185 WeakPolarHBondContact CB-OE1 2.99Å; T152-E185 WeakPolarHBondContact CG2-OE1 3.49Å; T152-E185 PolarHBondContact N-OE1 2.9Å; T152-E185 PolarHBondContact OG1-OE1 2.83Å; P183-E185 WeakPolarHBondContact CB-OE2 3.33Å; P183-E185 PolarHBondContact O-N 3.26Å; P183-E185 VanDerWaalsContact O-N 3.15Å; E185-V189 WeakPolarHBondContact O-CG2 3.42Å; E185-V189 PolarHBondContact O-N 2.82Å
186	K	79.2	Confident	75.3	Confident	86 Å²	86	54.2 Å²	54.2	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-75.3	-33.9	-178.6	-159	156.9	-173.8	168.7	0	111.8	D120 L182 P183 L190	D120-K186 IonicContact OD2-NZ 3.6Å; D120-K186 PolarHBondContact OD2-NZ 2.85Å; L182-K186 HydrophobicContact CG-CB 4.41Å; P183-K186 PolarHBondContact O-N 2.82Å; P183-K186 VanDerWaalsContact O-N 3.08Å; K186-L190 HydrophobicContact CG-CD1 3.96Å; K186-L190 WeakPolarHBondContact O-CB 3.09Å; K186-L190 VanDerWaalsContact O-CG 3.27Å; K186-L190 WeakPolarHBondContact O-CG 3.37Å; K186-L190 PolarHBondContact O-N 3.25Å
187	F	80.9	Confident	74.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-67	-48.4	176.3	-174	-112.2	0	0	0	112.2	V157 L171 C173 L182 P183 V189 L190 M191 L196	V157-F187 HydrophobicContact CG1-CD1 4.18Å; V157-F187 HydrophobicContact CG1-CE1 3.8Å; L171-F187 HydrophobicContact CB-CD2 4.42Å; L171-F187 HydrophobicContact CB-CE2 3.92Å; L171-F187 WeakPolarHBondContact O-CE2 3.47Å; L171-F187 WeakPolarHBondContact O-CZ 3.47Å; C173-F187 HydrophobicContact CB-CB 4.07Å; C173-F187 HydrophobicContact CB-CD1 3.93Å; C173-F187 HydrophobicContact CB-CG 4.14Å; C173-F187 WeakPolarHBondContact SG-CD1 3.14Å; L182-F187 HydrophobicContact CB-CB 4.41Å; L182-F187 HydrophobicContact CB-CD2 4.49Å; L182-F187 HydrophobicContact CD2-CB 4.12Å; L182-F187 HydrophobicContact CD2-CD2 4.21Å; L182-F187 HydrophobicContact CG-CB 4.4Å; P183-F187 WeakPolarHBondContact O-CB 3.46Å; P183-F187 PolarHBondContact O-N 3.13Å; F187-V189 PolarHBondContact O-N 2.81Å; F187-L190 PolarHBondContact O-N 2.92Å; F187-M191 HydrophobicContact CD1-CE 4.11Å; F187-M191 HydrophobicContact CE1-CE 3.39Å; F187-M191 HydrophobicContact CE2-CE 4.41Å; F187-M191 HydrophobicContact CZ-CE 3.57Å; F187-M191 VanDerWaalsContact O-CB 3.29Å; F187-M191 WeakPolarHBondContact O-CB 3.46Å; F187-M191 PolarHBondContact O-N 3.39Å; F187-L196 HydrophobicContact CD2-CD1 4.17Å; F187-L196 HydrophobicContact CE2-CD1 4.36Å; F187-L196 HydrophobicContact CE2-CD2 4.17Å
188	K	80.4	Confident	75.2	Confident	89 Å²	89	51.6 Å²	51.6	39%	0.387	32%	0.32	S	S	.	.	H	α-helix	trans	-60.8	-43.6	178.2	-70.8	163.5	-173.6	161.6	0	111.8	D154 S184 A192	D154-K188 VanDerWaalsContact OD2-CE 3.29Å; D154-K188 WeakPolarHBondContact OD2-CE 3.32Å; D154-K188 IonicContact OD2-NZ 2.87Å; D154-K188 PolarHBondContact OD2-NZ 3.36Å; S184-K188 VanDerWaalsContact O-CB 3.32Å; S184-K188 WeakPolarHBondContact O-CB 3.14Å; S184-K188 VanDerWaalsContact O-CD 3.27Å; S184-K188 WeakPolarHBondContact O-CD 3.29Å; S184-K188 WeakPolarHBondContact O-CG 3.47Å; S184-K188 PolarHBondContact O-N 3.31Å; S184-K188 PolarHBondContact OG-NZ 2.72Å; K188-A192 WeakPolarHBondContact O-CB 3.39Å; K188-A192 PolarHBondContact O-N 2.77Å
189	V	79.7	Confident	75.5	Confident	59 Å²	59	50 Å²	50	36%	0.358	31%	0.314	S	S	.	.	H	α-helix	trans	-66.2	-44.1	177.6	171.9	0	0	0	0	112.4	F123 E185 F187 M191 A192 T193	F123-V189 HydrophobicContact CE1-CG1 4.29Å; F123-V189 HydrophobicContact CZ-CG1 3.86Å; E185-V189 WeakPolarHBondContact O-CG2 3.42Å; E185-V189 PolarHBondContact O-N 2.82Å; F187-V189 PolarHBondContact O-N 2.81Å; V189-M191 VanDerWaalsContact C-N 3.35Å; V189-A192 PolarHBondContact O-N 3.32Å; V189-T193 WeakPolarHBondContact O-CB 3.32Å; V189-T193 WeakPolarHBondContact O-CG2 3.42Å; V189-T193 PolarHBondContact O-N 2.85Å; V189-T193 PolarHBondContact O-OG1 3.39Å
190	L	78.9	Confident	76	Confident	35 Å²	35	50.6 Å²	50.6	18%	0.183	32%	0.316	C	S	.	.	H	α-helix	trans	-73.3	-26.4	-180	-69.4	172.7	0	0	0	113.2	L182 K186 F187 T193 G194 K195 L196 A199	L182-L190 HydrophobicContact CD2-CD1 4.17Å; K186-L190 HydrophobicContact CG-CD1 3.96Å; K186-L190 WeakPolarHBondContact O-CB 3.09Å; K186-L190 VanDerWaalsContact O-CG 3.27Å; K186-L190 WeakPolarHBondContact O-CG 3.37Å; K186-L190 PolarHBondContact O-N 3.25Å; F187-L190 PolarHBondContact O-N 2.92Å; L190-T193 WeakPolarHBondContact CA-OG1 3.27Å; L190-G194 PolarHBondContact O-N 2.73Å; L190-K195 HydrophobicContact CD2-CB 3.96Å; L190-K195 PolarHBondContact O-N 2.79Å; L190-K195 VanDerWaalsContact O-N 3.11Å; L190-L196 HydrophobicContact CB-CD1 3.6Å; L190-L196 PolarHBondContact O-N 3.15Å; L190-A199 HydrophobicContact CD1-CB 4.12Å
191	M	78.5	Confident	76.3	Confident	87 Å²	87	50.5 Å²	50.5	43%	0.429	32%	0.316	S	S	.	.	H	α-helix	trans	-68.5	-52	169.3	-174.6	-173.1	-67.8	0	0	110.5	V157 F187 V189 T193 G194	V157-M191 HydrophobicContact CG1-CE 4.38Å; F187-M191 HydrophobicContact CD1-CE 4.11Å; F187-M191 HydrophobicContact CE1-CE 3.39Å; F187-M191 HydrophobicContact CE2-CE 4.41Å; F187-M191 HydrophobicContact CZ-CE 3.57Å; F187-M191 VanDerWaalsContact O-CB 3.29Å; F187-M191 WeakPolarHBondContact O-CB 3.46Å; F187-M191 PolarHBondContact O-N 3.39Å; V189-M191 VanDerWaalsContact C-N 3.35Å; M191-T193 VanDerWaalsContact C-N 3.26Å; M191-T193 PolarHBondContact O-N 2.77Å; M191-G194 PolarHBondContact O-N 2.91Å; M191-G194 VanDerWaalsContact O-N 3.13Å
192	A	74.6	Confident	75.9	Confident	90 Å²	90	51.5 Å²	51.5	74%	0.744	32%	0.32	S	S	*	.	H	α-helix	trans	-62.7	-29.2	179.9	0	0	0	0	0	113.8	K188 V189	K188-A192 WeakPolarHBondContact O-CB 3.39Å; K188-A192 PolarHBondContact O-N 2.77Å; V189-A192 PolarHBondContact O-N 3.32Å
193	T	75.4	Confident	75	Confident	80 Å²	80	52.6 Å²	52.6	49%	0.491	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	0.1	177.4	56	0	0	0	0	114.3	V189 L190 M191 K195	V189-T193 WeakPolarHBondContact O-CB 3.32Å; V189-T193 WeakPolarHBondContact O-CG2 3.42Å; V189-T193 PolarHBondContact O-N 2.85Å; V189-T193 PolarHBondContact O-OG1 3.39Å; L190-T193 WeakPolarHBondContact CA-OG1 3.27Å; M191-T193 VanDerWaalsContact C-N 3.26Å; M191-T193 PolarHBondContact O-N 2.77Å; T193-K195 PolarHBondContact O-N 2.88Å; T193-K195 VanDerWaalsContact O-N 3.16Å
194	G	70.9	Confident	73.8	Confident	66 Å²	66	52.5 Å²	52.5	68%	0.68	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	8.8	179.4	0	0	0	0	0	115.6	L190 M191 L196	L190-G194 PolarHBondContact O-N 2.73Å; M191-G194 PolarHBondContact O-N 2.91Å; M191-G194 VanDerWaalsContact O-N 3.13Å; G194-L196 VanDerWaalsContact C-N 3.32Å; G194-L196 PolarHBondContact O-N 2.66Å
195	K	72.3	Confident	73.1	Confident	154 Å²	154	54.8 Å²	54.8	67%	0.67	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-88.7	8	-174.8	-72.1	-176.9	178.6	-179.7	0	114.4	L190 T193 G197 G198	L190-K195 HydrophobicContact CD2-CB 3.96Å; L190-K195 PolarHBondContact O-N 2.79Å; L190-K195 VanDerWaalsContact O-N 3.11Å; T193-K195 PolarHBondContact O-N 2.88Å; T193-K195 VanDerWaalsContact O-N 3.16Å; K195-G197 PolarHBondContact O-N 2.83Å; K195-G197 VanDerWaalsContact O-N 3.14Å; K195-G198 PolarHBondContact O-N 3.1Å
196	L	72.5	Confident	72.3	Confident	12 Å²	12	52.8 Å²	52.8	6%	0.063	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-55.2	-32.1	-177.6	-140.4	65.8	0	0	0	113.4	S160 T162 L171 F187 L190 G194 G198 A199	S160-L196 WeakPolarHBondContact OG-CD2 3.35Å; T162-L196 HydrophobicContact CG2-CB 4.18Å; T162-L196 HydrophobicContact CG2-CG 4.43Å; L171-L196 HydrophobicContact CD1-CD1 4.43Å; L171-L196 HydrophobicContact CD1-CG 3.92Å; F187-L196 HydrophobicContact CD2-CD1 4.17Å; F187-L196 HydrophobicContact CE2-CD1 4.36Å; F187-L196 HydrophobicContact CE2-CD2 4.17Å; L190-L196 HydrophobicContact CB-CD1 3.6Å; L190-L196 PolarHBondContact O-N 3.15Å; G194-L196 VanDerWaalsContact C-N 3.32Å; G194-L196 PolarHBondContact O-N 2.66Å; L196-G198 PolarHBondContact O-N 3.13Å; L196-G198 VanDerWaalsContact O-N 3.08Å; L196-A199 WeakPolarHBondContact O-CB 3.24Å; L196-A199 PolarHBondContact O-N 3.21Å
197	G	60	Low	71.3	Confident	64 Å²	64	51.6 Å²	51.6	66%	0.66	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-65.7	-6.7	-176.3	0	0	0	0	0	117.2	K195	K195-G197 PolarHBondContact O-N 2.83Å; K195-G197 VanDerWaalsContact O-N 3.14Å
198	G	66.6	Low	69.9	Low	54 Å²	54	55.9 Å²	55.9	56%	0.557	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-106.2	-13	169.9	0	0	0	0	0	114.3	S165 K195 L196	S165-G198 WeakPolarHBondContact CB-O 3.28Å; S165-G198 PolarHBondContact OG-O 2.63Å; K195-G198 PolarHBondContact O-N 3.1Å; L196-G198 PolarHBondContact O-N 3.13Å; L196-G198 VanDerWaalsContact O-N 3.08Å
199	A	73.5	Confident	68.4	Low	13 Å²	13	57.2 Å²	57.2	11%	0.107	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-71.4	138.7	-162	0	0	0	0	0	113.5	S165 L171 L190 L196	S165-A199 PolarHBondContact N-O 2.6Å; S165-A199 VanDerWaalsContact N-O 3.09Å; S165-A199 PolarHBondContact OG-O 2.93Å; L171-A199 HydrophobicContact CD1-CB 3.94Å; L190-A199 HydrophobicContact CD1-CB 4.12Å; L196-A199 WeakPolarHBondContact O-CB 3.24Å; L196-A199 PolarHBondContact O-N 3.21Å
200	T	74.4	Confident	66.9	Low	51 Å²	51	58.2 Å²	58.2	31%	0.313	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-90.8	134.6	167.3	46.3	0	0	0	0	109.6	S165 C204	S165-T200 WeakPolarHBondContact OG-CG2 3.49Å; T200-C204 HydrophobicContact CG2-CB 4.23Å
201	C	75.1	Confident	65.2	Low	0 Å²	0	62.6 Å²	62.6	0%	0	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-68.7	162.3	170.9	71	0	0	0	0	110.6	C164 C167 L171 F181 R203 C204 H205	C164-C201 HydrophobicContact CB-CB 4.18Å; C164-C201 PolarHBondContact SG-N 2.62Å; C167-C201 PolarHBondContact SG-SG 3.19Å; L171-C201 HydrophobicContact CD2-CB 3.85Å; F181-C201 WeakPolarHBondContact O-CB 3.22Å; C201-R203 PolarHBondContact O-N 2.89Å; C201-R203 VanDerWaalsContact O-N 3.16Å; C201-C204 PolarHBondContact O-N 2.8Å; C201-H205 PolarHBondContact O-N 3.07Å
202	Q	72.3	Confident	63.3	Low	25 Å²	25	64.9 Å²	64.9	12%	0.117	38%	0.383	C	S	.	.	H	α-helix	trans	-52.3	-41.9	-178.8	-179.7	173.9	75.9	0	0	112	F150 F181 C204 H205 L206	F150-Q202 PolarHBondContact O-NE2 2.72Å; F181-Q202 HydrophobicContact CD1-CB 4.25Å; F181-Q202 WeakPolarHBondContact O-CB 3.22Å; F181-Q202 PolarHBondContact O-N 2.88Å; Q202-C204 PolarHBondContact O-N 3.18Å; Q202-H205 PolarHBondContact O-N 3.32Å; Q202-L206 HydrophobicContact CG-CD1 3.89Å; Q202-L206 HydrophobicContact CG-CG 4.22Å; Q202-L206 WeakPolarHBondContact O-CB 3.22Å; Q202-L206 VanDerWaalsContact O-CG 3.28Å; Q202-L206 WeakPolarHBondContact O-CG 3.28Å; Q202-L206 PolarHBondContact O-N 3.01Å
203	R	64.4	Low	61.7	Low	31 Å²	31	62.6 Å²	62.6	12%	0.117	37%	0.365	C	S	.	.	H	α-helix	trans	-57.2	-44.4	175.6	-174.8	168.1	-168.4	-133.6	-1.5	112.8	C201 L207 L214 G374	C201-R203 PolarHBondContact O-N 2.89Å; C201-R203 VanDerWaalsContact O-N 3.16Å; R203-L207 HydrophobicContact CG-CD1 4.15Å; R203-L207 WeakPolarHBondContact O-CB 3.31Å; R203-L207 WeakPolarHBondContact O-CD1 3.06Å; R203-L207 WeakPolarHBondContact O-CG 3.48Å; R203-L207 PolarHBondContact O-N 3.11Å; R203-L214 HydrophobicContact CB-CD1 3.77Å; R203-L214 HydrophobicContact CG-CB 4.43Å; R203-L214 HydrophobicContact CG-CD1 3.77Å; R203-L214 HydrophobicContact CG-CG 4.31Å; R203-G374 PolarHBondContact NH2-O 3.37Å
204	C	59.1	Low	60	Low	13 Å²	13	61.5 Å²	61.5	9%	0.088	36%	0.356	C	S	.	.	H	α-helix	trans	-69.6	-43.8	177.8	-73.4	0	0	0	0	111.7	C167 T200 C201 Q202 L206 L207 T208	C167-C204 VanDerWaalsContact CB-SG 3.52Å; C167-C204 PolarHBondContact N-SG 2.89Å; C167-C204 VanDerWaalsContact N-SG 3.4Å; T200-C204 HydrophobicContact CG2-CB 4.23Å; C201-C204 PolarHBondContact O-N 2.8Å; Q202-C204 PolarHBondContact O-N 3.18Å; C204-L206 PolarHBondContact O-N 3.27Å; C204-L207 PolarHBondContact O-N 2.8Å; C204-T208 PolarHBondContact O-N 3Å; C204-T208 PolarHBondContact O-OG1 2.93Å
205	H	66.8	Low	58.4	Low	54 Å²	54	65 Å²	65	25%	0.25	35%	0.354	C	S	.	.	H	α-helix	trans	-61.9	-44.1	178.9	-176.3	78.5	0	0	0	112.1	C201 Q202 L207 T208 H209	C201-H205 PolarHBondContact O-N 3.07Å; Q202-H205 PolarHBondContact O-N 3.32Å; H205-L207 PolarHBondContact O-N 3.31Å; H205-T208 PolarHBondContact O-N 2.98Å; H205-H209 AromaticContact CE1-CD2 3.39Å; H205-H209 PolarHBondContact CE1-CD2 3.09Å; H205-H209 AromaticContact CE1-CG 3.8Å; H205-H209 AromaticContact CE1-NE2 3.7Å; H205-H209 AromaticContact CG-CD2 3.85Å; H205-H209 AromaticContact ND1-CD2 3.13Å; H205-H209 PolarHBondContact ND1-CD2 3.19Å; H205-H209 AromaticContact ND1-CG 3.98Å; H205-H209 AromaticContact ND1-NE2 3.42Å; H205-H209 PolarHBondContact ND1-NE2 3.13Å; H205-H209 PolarHBondContact O-CD2 3.14Å; H205-H209 PolarHBondContact O-N 2.89Å
206	L	62.7	Low	57	Low	45 Å²	45	60.7 Å²	60.7	24%	0.236	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-38.9	175	-70.4	174.6	0	0	0	113	Q202 C204 H210 H211 K212 L214	Q202-L206 HydrophobicContact CG-CD1 3.89Å; Q202-L206 HydrophobicContact CG-CG 4.22Å; Q202-L206 WeakPolarHBondContact O-CB 3.22Å; Q202-L206 VanDerWaalsContact O-CG 3.28Å; Q202-L206 WeakPolarHBondContact O-CG 3.28Å; Q202-L206 PolarHBondContact O-N 3.01Å; C204-L206 PolarHBondContact O-N 3.27Å; L206-H210 CarbonylContact O-C 3.59Å; L206-H210 WeakPolarHBondContact O-CA 3.21Å; L206-H210 WeakPolarHBondContact O-CB 3.29Å; L206-H210 PolarHBondContact O-N 2.85Å; L206-H210 VanDerWaalsContact O-N 3.15Å; L206-H211 PolarHBondContact O-N 3.39Å; L206-H211 VanDerWaalsContact O-N 3.07Å; L206-K212 PolarHBondContact O-N 3.18Å; L206-L214 HydrophobicContact CD1-CD2 4.24Å
207	L	57.5	Low	55.8	Low	61 Å²	61	67.2 Å²	67.2	32%	0.319	37%	0.368	S	S	.	.	H	α-helix	trans	-68.5	-42.3	176.5	-74.4	167.2	0	0	0	112.1	R203 C204 H205 H211	R203-L207 HydrophobicContact CG-CD1 4.15Å; R203-L207 WeakPolarHBondContact O-CB 3.31Å; R203-L207 WeakPolarHBondContact O-CD1 3.06Å; R203-L207 WeakPolarHBondContact O-CG 3.48Å; R203-L207 PolarHBondContact O-N 3.11Å; C204-L207 PolarHBondContact O-N 2.8Å; H205-L207 PolarHBondContact O-N 3.31Å; L207-H211 WeakPolarHBondContact O-CA 3.4Å; L207-H211 PolarHBondContact O-N 3.48Å; L207-H211 PolarHBondContact O-ND1 2.79Å
208	T	51.9	Low	55.7	Low	91 Å²	91	66.4 Å²	66.4	56%	0.558	35%	0.348	S	S	*	.	H	α-helix	trans	-73.8	-50.8	-178.5	-62.7	0	0	0	0	112.6	C204 H205 H211	C204-T208 PolarHBondContact O-N 3Å; C204-T208 PolarHBondContact O-OG1 2.93Å; H205-T208 PolarHBondContact O-N 2.98Å; T208-H211 PolarHBondContact O-CE1 2.99Å; T208-H211 VanDerWaalsContact O-CE1 3.31Å
209	H	50.2	Low	55.4	Low	116 Å²	116	67.5 Å²	67.5	54%	0.537	34%	0.344	S	S	.	.	H	α-helix	trans	-94.5	-20.9	-169.8	-63.3	-94.5	0	0	0	114.5	H205	H205-H209 AromaticContact CE1-CD2 3.39Å; H205-H209 PolarHBondContact CE1-CD2 3.09Å; H205-H209 AromaticContact CE1-CG 3.8Å; H205-H209 AromaticContact CE1-NE2 3.7Å; H205-H209 AromaticContact CG-CD2 3.85Å; H205-H209 AromaticContact ND1-CD2 3.13Å; H205-H209 PolarHBondContact ND1-CD2 3.19Å; H205-H209 AromaticContact ND1-CG 3.98Å; H205-H209 AromaticContact ND1-NE2 3.42Å; H205-H209 PolarHBondContact ND1-NE2 3.13Å; H205-H209 PolarHBondContact O-CD2 3.14Å; H205-H209 PolarHBondContact O-N 2.89Å
210	H	47.9	Very low	55.1	Low	81 Å²	81	71.9 Å²	71.9	38%	0.375	36%	0.358	S	S	.	.	H	α-helix	trans	-125.2	-2.5	-177.6	-62.7	-58.9	0	0	0	114.2	L206 K212	L206-H210 CarbonylContact O-C 3.59Å; L206-H210 WeakPolarHBondContact O-CA 3.21Å; L206-H210 WeakPolarHBondContact O-CB 3.29Å; L206-H210 PolarHBondContact O-N 2.85Å; L206-H210 VanDerWaalsContact O-N 3.15Å; H210-K212 HydrophobicContact CB-CD 4.19Å; H210-K212 HydrophobicContact CB-CG 4.46Å; H210-K212 WeakPolarHBondContact O-CG 3.4Å; H210-K212 PolarHBondContact O-N 3.1Å
211	H	42.7	Very low	54.9	Low	127 Å²	127	73.3 Å²	73.3	59%	0.588	36%	0.364	S	S	*	.			trans	53.8	13.8	-178.4	-54.6	-31.1	0	0	0	115.9	L206 L207 T208 W372	L206-H211 PolarHBondContact O-N 3.39Å; L206-H211 VanDerWaalsContact O-N 3.07Å; L207-H211 WeakPolarHBondContact O-CA 3.4Å; L207-H211 PolarHBondContact O-N 3.48Å; L207-H211 PolarHBondContact O-ND1 2.79Å; T208-H211 PolarHBondContact O-CE1 2.99Å; T208-H211 VanDerWaalsContact O-CE1 3.31Å; H211-W372 PolarHBondContact O-NE1 2.77Å
212	K	39.4	Very low	54.5	Low	134 Å²	134	78.2 Å²	78.2	58%	0.583	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-85.9	126.9	-177.6	-76.3	165.9	-171.7	175.3	0	110.5	L206 H210	L206-K212 PolarHBondContact O-N 3.18Å; H210-K212 HydrophobicContact CB-CD 4.19Å; H210-K212 HydrophobicContact CB-CG 4.46Å; H210-K212 WeakPolarHBondContact O-CG 3.4Å; H210-K212 PolarHBondContact O-N 3.1Å
213	A	39.4	Very low	54.3	Low	42 Å²	42	77.4 Å²	77.4	35%	0.347	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-80.3	138.4	178.4	0	0	0	0	0	111.6	W372	A213-W372 HydrophobicContact CB-CB 4.11Å; A213-W372 HydrophobicContact CB-CG 3.92Å
214	L	40	Very low	54.7	Low	58 Å²	58	77.7 Å²	77.7	30%	0.304	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-87	122.9	158	-66	-174.9	0	0	0	108.8	R203 L206 L216	R203-L214 HydrophobicContact CB-CD1 3.77Å; R203-L214 HydrophobicContact CG-CB 4.43Å; R203-L214 HydrophobicContact CG-CD1 3.77Å; R203-L214 HydrophobicContact CG-CG 4.31Å; L206-L214 HydrophobicContact CD1-CD2 4.24Å; L214-L216 PolarHBondContact O-N 2.87Å
215	H	38.8	Very low	55.3	Low	138 Å²	138	81.2 Å²	81.2	64%	0.639	40%	0.402	S	S	*	.			trans	-77.3	82.8	-169.1	-173.7	86.4	0	0	0	112	Q217	H215-Q217 WeakPolarHBondContact CD2-CG 3.27Å; H215-Q217 PolarHBondContact CD2-NE2 3.28Å; H215-Q217 WeakPolarHBondContact NE2-CG 3.16Å; H215-Q217 PolarHBondContact NE2-NE2 3.49Å; H215-Q217 PolarHBondContact O-N 2.9Å; H215-Q217 VanDerWaalsContact O-N 3.14Å
216	L	43	Very low	55.4	Low	65 Å²	65	79.3 Å²	79.3	34%	0.34	39%	0.394	S	S	.	.			trans	-82.4	92.7	-175.9	-159.9	161.1	0	0	0	110.9	L214 L218 T376	L214-L216 PolarHBondContact O-N 2.87Å; L216-L218 HydrophobicContact CD2-CD2 3.99Å; L216-L218 HydrophobicContact CD2-CG 3.96Å; L216-L218 PolarHBondContact O-N 3.01Å; L216-T376 HydrophobicContact CD1-CG2 4.08Å
217	Q	47.3	Very low	55.9	Low	148 Å²	148	77.2 Å²	77.2	69%	0.692	38%	0.383	S	S	*	.			trans	-70.6	91.8	178.7	-64.5	-169.9	-8.5	0	0	112	H215 T219	H215-Q217 WeakPolarHBondContact CD2-CG 3.27Å; H215-Q217 PolarHBondContact CD2-NE2 3.28Å; H215-Q217 WeakPolarHBondContact NE2-CG 3.16Å; H215-Q217 PolarHBondContact NE2-NE2 3.49Å; H215-Q217 PolarHBondContact O-N 2.9Å; H215-Q217 VanDerWaalsContact O-N 3.14Å; Q217-T219 PolarHBondContact O-N 3.35Å
218	L	55.9	Low	56.9	Low	48 Å²	48	79.7 Å²	79.7	25%	0.251	39%	0.388	S	S	.	.			trans	-69.2	119.5	164.7	-72.3	172.8	0	0	0	109.4	L216	L216-L218 HydrophobicContact CD2-CD2 3.99Å; L216-L218 HydrophobicContact CD2-CG 3.96Å; L216-L218 PolarHBondContact O-N 3.01Å
219	T	62.3	Low	58	Low	76 Å²	76	82.1 Å²	82.1	47%	0.466	39%	0.387	S	S	.	.			trans	-68.1	155.5	177.7	66.1	0	0	0	0	111.1	Q217 D221 Q222 Y223	Q217-T219 PolarHBondContact O-N 3.35Å; T219-D221 VanDerWaalsContact C-N 3.26Å; T219-D221 PolarHBondContact O-N 2.86Å; T219-D221 VanDerWaalsContact O-N 3.16Å; T219-Q222 WeakPolarHBondContact O-CB 3.33Å; T219-Q222 PolarHBondContact O-N 2.34Å; T219-Q222 VanDerWaalsContact OG1-CD 3.3Å; T219-Q222 VanDerWaalsContact OG1-CG 3.31Å; T219-Q222 WeakPolarHBondContact OG1-CG 3.28Å; T219-Y223 PolarHBondContact O-N 3.35Å; T219-Y223 VanDerWaalsContact O-N 3.07Å
220	R	66.2	Low	59.2	Low	105 Å²	105	76.7 Å²	76.7	40%	0.396	36%	0.362	S	S	.	.	H	α-helix	trans	-52.6	-43.9	-172.9	-168.9	-177.9	79	165.2	2	112.7	Y223 R224 E492	R220-Y223 WeakPolarHBondContact O-CB 3.36Å; R220-Y223 PolarHBondContact O-N 3.11Å; R220-R224 WeakPolarHBondContact O-CG 3.35Å; R220-R224 PolarHBondContact O-N 3.49Å; R220-E492 IonicContact CZ-OE1 3.89Å; R220-E492 IonicContact NH1-OE1 3.92Å; R220-E492 PolarHBondContact NH1-OE1 2.8Å
221	D	70.6	Confident	60.6	Low	82 Å²	82	79.9 Å²	79.9	44%	0.439	37%	0.371	S	S	.	.	H	α-helix	trans	-79.3	-31.6	-173	-57.1	-55.6	0	0	0	112.6	T219 Y223 R224 D225	T219-D221 VanDerWaalsContact C-N 3.26Å; T219-D221 PolarHBondContact O-N 2.86Å; T219-D221 VanDerWaalsContact O-N 3.16Å; D221-Y223 VanDerWaalsContact C-N 3.27Å; D221-Y223 PolarHBondContact O-N 2.93Å; D221-R224 PolarHBondContact O-N 2.91Å; D221-D225 PolarHBondContact O-N 3.01Å
222	Q	66	Low	62.2	Low	103 Å²	103	78.4 Å²	78.4	48%	0.481	38%	0.381	S	S	.	.	H	α-helix	trans	-57.3	-43.3	165.5	-67.3	173.4	4.1	0	0	110.7	T219 D225 V226	T219-Q222 WeakPolarHBondContact O-CB 3.33Å; T219-Q222 PolarHBondContact O-N 2.34Å; T219-Q222 VanDerWaalsContact OG1-CD 3.3Å; T219-Q222 VanDerWaalsContact OG1-CG 3.31Å; T219-Q222 WeakPolarHBondContact OG1-CG 3.28Å; Q222-D225 PolarHBondContact O-N 2.82Å; Q222-V226 WeakPolarHBondContact O-CG2 3Å; Q222-V226 PolarHBondContact O-N 3.22Å; Q222-V226 VanDerWaalsContact O-N 3.08Å
223	Y	68.5	Low	64.1	Low	8 Å²	8	77.3 Å²	77.3	3%	0.031	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-44.5	174.3	174.8	-93.6	0	0	0	112.6	T219 R220 D221 D225 V226 V227 T486 P487 I489	T219-Y223 PolarHBondContact O-N 3.35Å; T219-Y223 VanDerWaalsContact O-N 3.07Å; R220-Y223 WeakPolarHBondContact O-CB 3.36Å; R220-Y223 PolarHBondContact O-N 3.11Å; D221-Y223 VanDerWaalsContact C-N 3.27Å; D221-Y223 PolarHBondContact O-N 2.93Å; Y223-D225 PolarHBondContact O-N 3.13Å; Y223-V226 WeakPolarHBondContact O-CB 3.41Å; Y223-V226 PolarHBondContact O-N 3.4Å; Y223-V227 HydrophobicContact CD1-CG2 4.3Å; Y223-V227 HydrophobicContact CE1-CG2 3.49Å; Y223-V227 VanDerWaalsContact CE1-CG2 3.49Å; Y223-V227 HydrophobicContact CE2-CG2 3.95Å; Y223-V227 PolarHBondContact O-N 3.41Å; Y223-V227 VanDerWaalsContact O-N 3.12Å; Y223-V227 WeakPolarHBondContact OH-CG2 3.2Å; Y223-T486 PolarHBondContact OH-OG1 2.85Å; Y223-P487 HydrophobicContact CD2-CB 3.82Å; Y223-P487 HydrophobicContact CD2-CG 4.24Å; Y223-P487 HydrophobicContact CE2-CB 3.67Å; Y223-P487 HydrophobicContact CE2-CG 4.13Å; Y223-P487 VanDerWaalsContact CE2-O 3.23Å; Y223-P487 WeakPolarHBondContact CE2-O 3.46Å; Y223-P487 PolarHBondContact OH-O 3.2Å; Y223-P487 VanDerWaalsContact OH-O 3.05Å; Y223-I489 HydrophobicContact CD1-CG2 4.16Å; Y223-I489 HydrophobicContact CE1-CB 3.91Å; Y223-I489 HydrophobicContact CE1-CD1 3.84Å; Y223-I489 HydrophobicContact CE1-CG1 3.51Å; Y223-I489 HydrophobicContact CE1-CG2 3.9Å
224	R	72.6	Confident	66.1	Low	36 Å²	36	84.4 Å²	84.4	14%	0.136	40%	0.396	C	S	.	.	H	α-helix	trans	-58.7	-36.5	176.6	-67.4	179.1	78.9	124.4	4.6	111.1	R220 D221 V227 R228 D253 L257	R220-R224 WeakPolarHBondContact O-CG 3.35Å; R220-R224 PolarHBondContact O-N 3.49Å; D221-R224 PolarHBondContact O-N 2.91Å; R224-V227 PolarHBondContact O-N 3.18Å; R224-R228 WeakPolarHBondContact O-CB 3.29Å; R224-R228 WeakPolarHBondContact O-CD 3.27Å; R224-R228 WeakPolarHBondContact O-CG 3.38Å; R224-R228 PolarHBondContact O-N 2.75Å; R224-D253 IonicContact CZ-OD2 2.87Å; R224-D253 IonicContact NH1-OD2 3.46Å; R224-D253 PolarHBondContact NH1-OD2 2.86Å; R224-D253 IonicContact NH2-OD2 2.63Å; R224-D253 PolarHBondContact NH2-OD2 3.04Å; R224-L257 HydrophobicContact CB-CD2 3.88Å; R224-L257 HydrophobicContact CG-CD2 3.89Å
225	D	71.5	Confident	68.3	Low	88 Å²	88	81.9 Å²	81.9	47%	0.471	38%	0.384	S	S	.	.	H	α-helix	trans	-68.8	-33.6	173.4	-76.4	-13.8	0	0	0	114	D221 Q222 Y223 V227 R228 R229	D221-D225 PolarHBondContact O-N 3.01Å; Q222-D225 PolarHBondContact O-N 2.82Å; Y223-D225 PolarHBondContact O-N 3.13Å; D225-V227 VanDerWaalsContact C-N 3.34Å; D225-V227 PolarHBondContact O-N 2.87Å; D225-R228 VanDerWaalsContact OD1-CD 3.22Å; D225-R228 WeakPolarHBondContact OD1-CD 3.18Å; D225-R228 IonicContact OD1-CZ 2.62Å; D225-R228 IonicContact OD1-NE 2.64Å; D225-R228 IonicContact OD1-NH1 2.8Å; D225-R228 PolarHBondContact OD1-NH1 3.03Å; D225-R229 PolarHBondContact O-N 2.9Å
226	V	69.8	Low	70.7	Confident	14 Å²	14	75.4 Å²	75.4	9%	0.085	35%	0.353	C	S	.	.	H	α-helix	trans	-59	-46.2	169.5	173.9	0	0	0	0	110.7	Q222 Y223 L379	Q222-V226 WeakPolarHBondContact O-CG2 3Å; Q222-V226 PolarHBondContact O-N 3.22Å; Q222-V226 VanDerWaalsContact O-N 3.08Å; Y223-V226 WeakPolarHBondContact O-CB 3.41Å; Y223-V226 PolarHBondContact O-N 3.4Å; V226-L379 HydrophobicContact CG1-CD2 3.89Å
227	V	72.9	Confident	73	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-72.7	-38.6	-179.4	-174.5	0	0	0	0	112.4	Y223 R224 D225 R229 V230 L257	Y223-V227 HydrophobicContact CD1-CG2 4.3Å; Y223-V227 HydrophobicContact CE1-CG2 3.49Å; Y223-V227 VanDerWaalsContact CE1-CG2 3.49Å; Y223-V227 HydrophobicContact CE2-CG2 3.95Å; Y223-V227 PolarHBondContact O-N 3.41Å; Y223-V227 VanDerWaalsContact O-N 3.12Å; Y223-V227 WeakPolarHBondContact OH-CG2 3.2Å; R224-V227 PolarHBondContact O-N 3.18Å; D225-V227 VanDerWaalsContact C-N 3.34Å; D225-V227 PolarHBondContact O-N 2.87Å; V227-R229 PolarHBondContact O-N 3.18Å; V227-R229 VanDerWaalsContact O-N 3.07Å; V227-V230 WeakPolarHBondContact O-CA 3.5Å; V227-V230 WeakPolarHBondContact O-CB 3.37Å; V227-V230 WeakPolarHBondContact O-CG2 3.35Å; V227-V230 PolarHBondContact O-N 3.47Å; V227-L257 HydrophobicContact CG1-CB 3.93Å
228	R	78.3	Confident	75.2	Confident	114 Å²	114	65.2 Å²	65.2	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-54.7	-28.9	176.1	-76.7	160.6	175.5	154.4	-0.8	112.5	R224 D225 V230 R231	R224-R228 WeakPolarHBondContact O-CB 3.29Å; R224-R228 WeakPolarHBondContact O-CD 3.27Å; R224-R228 WeakPolarHBondContact O-CG 3.38Å; R224-R228 PolarHBondContact O-N 2.75Å; D225-R228 VanDerWaalsContact OD1-CD 3.22Å; D225-R228 WeakPolarHBondContact OD1-CD 3.18Å; D225-R228 IonicContact OD1-CZ 2.62Å; D225-R228 IonicContact OD1-NE 2.64Å; D225-R228 IonicContact OD1-NH1 2.8Å; D225-R228 PolarHBondContact OD1-NH1 3.03Å; R228-V230 PolarHBondContact O-N 3.21Å; R228-R231 VanDerWaalsContact O-CB 3.26Å; R228-R231 WeakPolarHBondContact O-CB 3.2Å; R228-R231 PolarHBondContact O-N 2.8Å; R228-R231 VanDerWaalsContact O-N 3.13Å
229	R	74.3	Confident	76.9	Confident	141 Å²	141	63 Å²	63	53%	0.532	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-24	172.8	-66.6	-176.3	-67.7	173.9	-0.2	113.8	D225 V227	D225-R229 PolarHBondContact O-N 2.9Å; V227-R229 PolarHBondContact O-N 3.18Å; V227-R229 VanDerWaalsContact O-N 3.07Å
230	V	75.4	Confident	78.3	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-72.2	-30.2	175.3	-174.5	0	0	0	0	111.5	V227 R228 A232 R233 K262 F334	V227-V230 WeakPolarHBondContact O-CA 3.5Å; V227-V230 WeakPolarHBondContact O-CB 3.37Å; V227-V230 WeakPolarHBondContact O-CG2 3.35Å; V227-V230 PolarHBondContact O-N 3.47Å; R228-V230 PolarHBondContact O-N 3.21Å; V230-A232 PolarHBondContact O-N 2.99Å; V230-A232 VanDerWaalsContact O-N 3.15Å; V230-R233 PolarHBondContact O-N 3.33Å; V230-K262 VanDerWaalsContact O-CE 3.29Å; V230-K262 WeakPolarHBondContact O-CE 3.18Å; V230-K262 PolarHBondContact O-NZ 2.9Å; V230-F334 HydrophobicContact CG1-CB 4.3Å; V230-F334 HydrophobicContact CG1-CD1 4.09Å; V230-F334 HydrophobicContact CG1-CD2 3.62Å; V230-F334 HydrophobicContact CG1-CE1 4.37Å; V230-F334 HydrophobicContact CG1-CE2 3.94Å; V230-F334 HydrophobicContact CG1-CG 3.72Å; V230-F334 HydrophobicContact CG1-CZ 4.32Å; V230-F334 HydrophobicContact CG2-CD1 3.61Å; V230-F334 HydrophobicContact CG2-CE1 3.77Å; V230-F334 HydrophobicContact CG2-CG 4.09Å; V230-F334 HydrophobicContact CG2-CZ 4.36Å
231	R	78.7	Confident	79.6	Confident	147 Å²	147	54.4 Å²	54.4	56%	0.555	25%	0.252	S	S	*	.	H	α-helix	trans	-54.4	-37.3	-179.5	-176.4	170.1	166.6	175	-5.7	112.7	R228 R233 V258 K262	R228-R231 VanDerWaalsContact O-CB 3.26Å; R228-R231 WeakPolarHBondContact O-CB 3.2Å; R228-R231 PolarHBondContact O-N 2.8Å; R228-R231 VanDerWaalsContact O-N 3.13Å; R231-R233 PolarHBondContact O-N 3.44Å; R231-V258 VanDerWaalsContact CA-O 3.31Å; R231-V258 WeakPolarHBondContact CA-O 3.28Å; R231-V258 WeakPolarHBondContact CB-O 3.48Å; R231-K262 PolarHBondContact O-NZ 2.73Å
232	A	76.2	Confident	80.6	Confident	97 Å²	97	50.8 Å²	50.8	80%	0.802	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-15.1	-180	0	0	0	0	0	115.5	V230	V230-A232 PolarHBondContact O-N 2.99Å; V230-A232 VanDerWaalsContact O-N 3.15Å
233	R	78.4	Confident	81.8	Confident	110 Å²	110	46 Å²	46	42%	0.415	21%	0.21	S	C	.	.	S	Bend	trans	-95.3	148.2	-177.5	-63.8	-170.5	-177.6	-161.8	6.6	112.6	V230 R231 A235 K262 D332 Y484	V230-R233 PolarHBondContact O-N 3.33Å; R231-R233 PolarHBondContact O-N 3.44Å; R233-A235 PolarHBondContact O-N 3.08Å; R233-K262 PolarHBondContact O-NZ 2.91Å; R233-D332 IonicContact CZ-OD2 3.85Å; R233-D332 IonicContact NH1-OD2 3.65Å; R233-D332 PolarHBondContact NH1-OD2 3.01Å; R233-Y484 PolarHBondContact NH1-OH 2.85Å
234	K	80.8	Confident	82.7	Confident	192 Å²	192	46.3 Å²	46.3	84%	0.835	21%	0.212	S	C	*	.			trans	-77.3	108	162.9	-70.4	-176.8	179.3	179	0	108.1
235	A	86.4	Confident	83.3	Confident	5 Å²	5	45.1 Å²	45.1	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	157.6	-172.6	0	0	0	0	0	112.2	R233 D332 F334	R233-A235 PolarHBondContact O-N 3.08Å; A235-D332 CarbonylContact C-O 3.53Å; A235-D332 WeakPolarHBondContact CA-O 3.41Å; A235-D332 HydrophobicContact CB-CB 4.19Å; A235-D332 WeakPolarHBondContact CB-O 3.43Å; A235-F334 HydrophobicContact CB-CD2 3.66Å; A235-F334 HydrophobicContact CB-CE2 3.61Å
236	L	90.3	Very high	83.9	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	143.2	168.2	-172.4	73.5	0	0	0	110	L238 Q263 V265 L323 W327 D332 V333 F334	L236-L238 HydrophobicContact CD2-CD2 3.78Å; L236-L238 HydrophobicContact CG-CD2 4.27Å; L236-Q263 HydrophobicContact CD1-CB 3.76Å; L236-V265 HydrophobicContact CD1-CG2 4.2Å; L236-L323 HydrophobicContact CD2-CD2 3.75Å; L236-W327 HydrophobicContact CB-CD2 3.76Å; L236-W327 HydrophobicContact CB-CE3 4.02Å; L236-W327 HydrophobicContact CB-CG 4.2Å; L236-W327 HydrophobicContact CB-CH2 4.35Å; L236-W327 HydrophobicContact CB-CZ2 4.11Å; L236-W327 HydrophobicContact CB-CZ3 4.3Å; L236-W327 HydrophobicContact CD1-CD2 4.29Å; L236-W327 HydrophobicContact CD1-CE3 3.92Å; L236-W327 HydrophobicContact CD1-CZ3 4.42Å; L236-W327 HydrophobicContact CD2-CB 4.05Å; L236-W327 HydrophobicContact CD2-CD2 4.36Å; L236-W327 HydrophobicContact CD2-CG 4.02Å; L236-W327 HydrophobicContact CG-CD2 4.37Å; L236-W327 HydrophobicContact CG-CE3 4.46Å; L236-D332 PolarHBondContact N-O 3.24Å; L236-V333 HydrophobicContact CB-CG1 4.27Å; L236-V333 HydrophobicContact CB-CG2 4.05Å; L236-V333 HydrophobicContact CD2-CG1 4.23Å; L236-V333 HydrophobicContact CD2-CG2 4.36Å; L236-V333 WeakPolarHBondContact O-CA 3.36Å; L236-F334 PolarHBondContact O-N 3.15Å
237	V	91.1	Very high	84.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.8	170.3	174.8	0	0	0	0	110.6	V258 K262 Q263 V264 V265 V336	V237-V258 HydrophobicContact CG2-CG1 3.66Å; V237-V258 HydrophobicContact CG2-CG2 4.34Å; V237-K262 HydrophobicContact CG2-CD 4.29Å; V237-Q263 PolarHBondContact N-O 3.09Å; V237-Q263 VanDerWaalsContact N-O 3.1Å; V237-V264 CarbonylContact O-C 3.53Å; V237-V264 WeakPolarHBondContact O-CA 3.21Å; V237-V265 PolarHBondContact O-N 2.7Å; V237-V336 HydrophobicContact CG1-CB 3.93Å; V237-V336 HydrophobicContact CG1-CG2 3.81Å
238	L	92.5	Very high	84.3	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	99.5	173	-58.7	-173.9	0	0	0	108.1	L236 V240 V265 L267 L323 V333 F334 L335 V336 L483	L236-L238 HydrophobicContact CD2-CD2 3.78Å; L236-L238 HydrophobicContact CG-CD2 4.27Å; L238-V240 PolarHBondContact O-N 2.73Å; L238-V265 CarbonylContact C-O 3.52Å; L238-V265 WeakPolarHBondContact CA-O 3.44Å; L238-V265 HydrophobicContact CD2-CB 3.9Å; L238-V265 HydrophobicContact CD2-CG1 4.4Å; L238-L267 HydrophobicContact CB-CD1 4.03Å; L238-L267 HydrophobicContact CD1-CD1 4.48Å; L238-L323 HydrophobicContact CD1-CD1 4.25Å; L238-L323 HydrophobicContact CD2-CD2 3.68Å; L238-V333 HydrophobicContact CD1-CG1 3.65Å; L238-V333 HydrophobicContact CD2-CG1 4.3Å; L238-V333 HydrophobicContact CG-CG1 3.61Å; L238-F334 PolarHBondContact N-O 2.68Å; L238-L335 HydrophobicContact CB-CD2 3.94Å; L238-L335 HydrophobicContact CD1-CD2 3.95Å; L238-V336 PolarHBondContact O-N 3.16Å; L238-L483 HydrophobicContact CD1-CD1 4.05Å
239	L	92.6	Very high	84.3	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	107.3	180	-177.7	70.1	0	0	0	109.7	V241 V251 L254 V264 V265 V266 L267 F298 V336	L239-V241 HydrophobicContact CD2-CG2 4.06Å; L239-V241 HydrophobicContact CG-CG2 3.94Å; L239-V251 HydrophobicContact CD1-CG2 4.34Å; L239-L254 HydrophobicContact CD1-CD1 4.09Å; L239-L254 HydrophobicContact CD1-CD2 3.92Å; L239-L254 HydrophobicContact CD2-CD2 3.72Å; L239-L254 HydrophobicContact CG-CD2 4.3Å; L239-V264 HydrophobicContact CB-CG1 3.9Å; L239-V265 PolarHBondContact N-O 3.27Å; L239-V266 HydrophobicContact CB-CG1 4.4Å; L239-V266 HydrophobicContact CB-CG2 4.38Å; L239-V266 HydrophobicContact CD2-CG1 4.08Å; L239-V266 HydrophobicContact CD2-CG2 4.21Å; L239-V266 HydrophobicContact CG-CG1 4.45Å; L239-L267 PolarHBondContact O-N 2.65Å; L239-F298 HydrophobicContact CD2-CE1 4.38Å; L239-F298 HydrophobicContact CD2-CE2 3.71Å; L239-F298 HydrophobicContact CD2-CZ 3.47Å; L239-F298 VanDerWaalsContact CD2-CZ 3.47Å; L239-V336 CarbonylContact C-O 3.57Å; L239-V336 WeakPolarHBondContact CA-O 3.4Å
240	V	92.1	Very high	84.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.5	176.2	-170	0	0	0	0	109.8	L238 L267 N269 L335 V336 V341 K343 L346	L238-V240 PolarHBondContact O-N 2.73Å; V240-L267 HydrophobicContact CG2-CD1 4.46Å; V240-N269 HydrophobicContact CG1-CB 4Å; V240-L335 HydrophobicContact CG2-CD2 4.05Å; V240-V336 PolarHBondContact N-O 3.08Å; V240-V341 HydrophobicContact CB-CG2 3.96Å; V240-V341 HydrophobicContact CG1-CB 4.28Å; V240-V341 HydrophobicContact CG1-CG2 3.79Å; V240-K343 HydrophobicContact CB-CG 4Å; V240-K343 HydrophobicContact CG1-CG 4.45Å; V240-K343 HydrophobicContact CG2-CG 4.07Å; V240-L346 HydrophobicContact CG2-CD2 3.81Å
241	V	92.3	Very high	84.8	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.3	-175.8	-172.9	0	0	0	0	108.8	L239 L250 V266 L267 G268 N269 L289	L239-V241 HydrophobicContact CD2-CG2 4.06Å; L239-V241 HydrophobicContact CG-CG2 3.94Å; V241-L250 HydrophobicContact CB-CD2 4.33Å; V241-L250 HydrophobicContact CG1-CD2 3.65Å; V241-L250 HydrophobicContact CG1-CG 4.32Å; V241-L250 HydrophobicContact CG2-CD2 3.65Å; V241-V266 HydrophobicContact CG2-CG1 3.7Å; V241-L267 PolarHBondContact N-O 3.09Å; V241-G268 WeakPolarHBondContact O-CA 3.47Å; V241-N269 PolarHBondContact O-N 3.22Å; V241-L289 HydrophobicContact CB-CD1 4.28Å; V241-L289 HydrophobicContact CG1-CD1 4.15Å
242	D	91.2	Very high	84.4	Confident	6 Å²	6	33 Å²	33	3%	0.032	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	124.5	171.2	-163.2	-31.5	0	0	0	110.6	L244 S249 K270 V341	D242-L244 VanDerWaalsContact C-N 3.29Å; D242-L244 PolarHBondContact O-N 3.21Å; D242-L244 WeakPolarHBondContact OD1-CB 3.33Å; D242-L244 WeakPolarHBondContact OD1-CG 3.22Å; D242-L244 PolarHBondContact OD1-N 3.08Å; D242-S249 PolarHBondContact N-OG 3.04Å; D242-K270 WeakPolarHBondContact OD2-CD 3.39Å; D242-K270 WeakPolarHBondContact OD2-CE 3.11Å; D242-K270 IonicContact OD2-NZ 2.66Å; D242-K270 PolarHBondContact OD2-NZ 2.86Å; D242-V341 HydrophobicContact CB-CB 4.47Å; D242-V341 HydrophobicContact CB-CG1 4.24Å
243	L	91.2	Very high	84.4	Confident	3 Å²	3	31 Å²	31	2%	0.016	17%	0.168	C	C	.	.	S	Bend	trans	-75	-13.7	177.9	-72.8	170.2	0	0	0	114.2	P246 G268 N269 V271 L274 L289 L307 L648	L243-P246 VanDerWaalsContact O-CD 3.27Å; L243-P246 WeakPolarHBondContact O-CD 3.27Å; L243-G268 WeakPolarHBondContact CD1-O 3.2Å; L243-N269 VanDerWaalsContact CB-O 3.31Å; L243-N269 WeakPolarHBondContact CB-O 3.35Å; L243-N269 WeakPolarHBondContact CD1-O 3.32Å; L243-N269 VanDerWaalsContact CG-O 3.27Å; L243-N269 WeakPolarHBondContact CG-O 3.16Å; L243-N269 PolarHBondContact N-O 2.9Å; L243-V271 HydrophobicContact CD1-CB 3.62Å; L243-V271 HydrophobicContact CD1-CG2 3.84Å; L243-L274 HydrophobicContact CB-CD1 3.85Å; L243-L274 HydrophobicContact CD1-CD1 4.36Å; L243-L289 HydrophobicContact CD2-CD1 3.62Å; L243-L307 HydrophobicContact CD1-CD2 4.17Å; L243-L307 HydrophobicContact CD2-CD2 4.03Å; L243-L648 VanDerWaalsContact O-CD2 3.3Å; L243-L648 WeakPolarHBondContact O-CD2 3.37Å
244	L	88.6	Confident	84.6	Confident	13 Å²	13	25.9 Å²	25.9	7%	0.068	15%	0.149	C	C	.	.	S	Bend	trans	-75.7	-33.3	175.1	-57.7	-176.3	0	0	0	112	D242 L273 L274 P509 I513 W618 R644	D242-L244 VanDerWaalsContact C-N 3.29Å; D242-L244 PolarHBondContact O-N 3.21Å; D242-L244 WeakPolarHBondContact OD1-CB 3.33Å; D242-L244 WeakPolarHBondContact OD1-CG 3.22Å; D242-L244 PolarHBondContact OD1-N 3.08Å; L244-L273 HydrophobicContact CD1-CD1 3.95Å; L244-L273 HydrophobicContact CD2-CB 4.28Å; L244-L274 HydrophobicContact CD2-CD2 3.66Å; L244-L274 HydrophobicContact CD2-CG 4.05Å; L244-P509 HydrophobicContact CD1-CG 3.45Å; L244-P509 VanDerWaalsContact CD1-CG 3.45Å; L244-I513 HydrophobicContact CD1-CD1 3.86Å; L244-I513 HydrophobicContact CD2-CD1 3.6Å; L244-I513 HydrophobicContact CG-CD1 4.38Å; L244-W618 HydrophobicContact CB-CZ3 4.14Å; L244-W618 HydrophobicContact CD2-CH2 4.26Å; L244-W618 HydrophobicContact CD2-CZ3 4.1Å; L244-W618 VanDerWaalsContact O-CZ3 3.31Å; L244-W618 WeakPolarHBondContact O-CZ3 3.44Å; L244-R644 PolarHBondContact O-NH1 3.25Å
245	D	85.5	Confident	84.6	Confident	12 Å²	12	18 Å²	18	6%	0.064	12%	0.117	C	C	.	.	S	Bend	trans	-119.5	38.2	-167.8	-155.2	6.2	0	0	0	115.2	P247 G248 S249 R491 S615	D245-P247 CarbonylContact O-C 3.52Å; D245-G248 CarbonylContact O-C 3.59Å; D245-G248 WeakPolarHBondContact O-CA 3.2Å; D245-G248 PolarHBondContact O-N 3.41Å; D245-S249 PolarHBondContact O-N 3.26Å; D245-R491 IonicContact OD2-CZ 3.63Å; D245-R491 IonicContact OD2-NH1 3.32Å; D245-R491 PolarHBondContact OD2-NH1 3.47Å; D245-R491 IonicContact OD2-NH2 3.59Å; D245-S615 WeakPolarHBondContact OD2-CA 3.05Å; D245-S615 PolarHBondContact OD2-N 3.38Å; D245-S615 PolarHBondContact OD2-OG 3.22Å
246	P	82.7	Confident	84.5	Confident	10 Å²	10	22.8 Å²	22.8	7%	0.065	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	140.2	167.4	32.1	-33.5	0	0	0	110.1	L243 R644 L648	L243-P246 VanDerWaalsContact O-CD 3.27Å; L243-P246 WeakPolarHBondContact O-CD 3.27Å; P246-R644 WeakPolarHBondContact O-CD 3.28Å; P246-R644 PolarHBondContact O-NH1 2.91Å; P246-L648 HydrophobicContact CG-CD1 3.99Å; P246-L648 HydrophobicContact CG-CD2 4.43Å
247	P	75.6	Confident	83.9	Confident	80 Å²	80	22.9 Å²	22.9	52%	0.519	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	cis	-83.6	-11.6	1.9	34.2	-36.1	0	0	0	114.8	D245 S249 L250	D245-P247 CarbonylContact O-C 3.52Å; P247-S249 PolarHBondContact O-N 2.98Å; P247-L250 VanDerWaalsContact O-CB 3.31Å; P247-L250 WeakPolarHBondContact O-CB 3.42Å; P247-L250 PolarHBondContact O-N 2.82Å
248	G	75.3	Confident	83.4	Confident	37 Å²	37	23 Å²	23	38%	0.381	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-12.9	-172	0	0	0	0	0	117.1	D245 R491	D245-G248 CarbonylContact O-C 3.59Å; D245-G248 WeakPolarHBondContact O-CA 3.2Å; D245-G248 PolarHBondContact O-N 3.41Å; G248-R491 WeakPolarHBondContact O-CD 3.47Å; G248-R491 PolarHBondContact O-NH1 3.16Å
249	S	79.4	Confident	82.9	Confident	4 Å²	4	23.4 Å²	23.4	3%	0.028	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-7.5	170.7	-179.4	0	0	0	0	114	D242 D245 P247 V341	D242-S249 PolarHBondContact N-OG 3.04Å; D245-S249 PolarHBondContact O-N 3.26Å; P247-S249 PolarHBondContact O-N 2.98Å; S249-V341 VanDerWaalsContact OG-CG1 3.32Å; S249-V341 WeakPolarHBondContact OG-CG1 3.37Å
250	L	82.4	Confident	82.3	Confident	21 Å²	21	27.4 Å²	27.4	11%	0.11	17%	0.173	C	C	.	.	S	Bend	trans	-78.6	152.5	176.4	-64.4	176.4	0	0	0	111.1	V241 P247 P252 C292 A296 F298	V241-L250 HydrophobicContact CB-CD2 4.33Å; V241-L250 HydrophobicContact CG1-CD2 3.65Å; V241-L250 HydrophobicContact CG1-CG 4.32Å; V241-L250 HydrophobicContact CG2-CD2 3.65Å; P247-L250 VanDerWaalsContact O-CB 3.31Å; P247-L250 WeakPolarHBondContact O-CB 3.42Å; P247-L250 PolarHBondContact O-N 2.82Å; L250-P252 WeakPolarHBondContact O-CD 3.02Å; L250-C292 HydrophobicContact CD1-CB 3.54Å; L250-C292 WeakPolarHBondContact CD1-O 3.14Å; L250-A296 HydrophobicContact CD1-CB 4.35Å; L250-F298 HydrophobicContact CD2-CZ 4.28Å
251	V	78.1	Confident	81.6	Confident	13 Å²	13	35 Å²	35	8%	0.079	21%	0.213	C	C	.	.			trans	-97.5	109.6	173.2	-178.5	0	0	0	0	107	L239 L254 L257 I489	L239-V251 HydrophobicContact CD1-CG2 4.34Å; V251-L254 HydrophobicContact CB-CB 4.2Å; V251-L254 HydrophobicContact CB-CD1 4.37Å; V251-L254 HydrophobicContact CG1-CB 4.11Å; V251-L254 HydrophobicContact CG1-CD1 4.35Å; V251-L254 WeakPolarHBondContact O-CB 3.37Å; V251-L257 HydrophobicContact CG1-CD1 3.91Å; V251-I489 HydrophobicContact CB-CD1 4.22Å; V251-I489 HydrophobicContact CG1-CD1 3.61Å; V251-I489 HydrophobicContact CG2-CD1 3.51Å; V251-I489 HydrophobicContact CG2-CG1 4.13Å
252	P	70	Confident	81.2	Confident	87 Å²	87	36.1 Å²	36.1	57%	0.565	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-52.3	-179.5	22.8	-30.3	0	0	0	110.8	L250 L254 P255	L250-P252 WeakPolarHBondContact O-CD 3.02Å; P252-L254 PolarHBondContact O-N 2.94Å; P252-P255 WeakPolarHBondContact O-CD 3.4Å
253	D	77.1	Confident	81	Confident	56 Å²	56	40 Å²	40	30%	0.299	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	19.5	-176.5	-44.6	-3.6	0	0	0	113.9	R224 P255 D256 L257	R224-D253 IonicContact CZ-OD2 2.87Å; R224-D253 IonicContact NH1-OD2 3.46Å; R224-D253 PolarHBondContact NH1-OD2 2.86Å; R224-D253 IonicContact NH2-OD2 2.63Å; R224-D253 PolarHBondContact NH2-OD2 3.04Å; D253-P255 VanDerWaalsContact C-CD 3.47Å; D253-D256 PolarHBondContact O-N 2.79Å; D253-D256 VanDerWaalsContact O-N 3.09Å; D253-L257 WeakPolarHBondContact O-CG 3.41Å; D253-L257 PolarHBondContact O-N 3.29Å; D253-L257 VanDerWaalsContact O-N 3.11Å
254	L	80.8	Confident	80.9	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-57	-41	-177.9	-170.3	70.1	0	0	0	112.8	L239 V251 P252 D256 L257 V258 V264 F298 V336	L239-L254 HydrophobicContact CD1-CD1 4.09Å; L239-L254 HydrophobicContact CD1-CD2 3.92Å; L239-L254 HydrophobicContact CD2-CD2 3.72Å; L239-L254 HydrophobicContact CG-CD2 4.3Å; V251-L254 HydrophobicContact CB-CB 4.2Å; V251-L254 HydrophobicContact CB-CD1 4.37Å; V251-L254 HydrophobicContact CG1-CB 4.11Å; V251-L254 HydrophobicContact CG1-CD1 4.35Å; V251-L254 WeakPolarHBondContact O-CB 3.37Å; P252-L254 PolarHBondContact O-N 2.94Å; L254-D256 VanDerWaalsContact C-N 3.27Å; L254-D256 PolarHBondContact O-N 3Å; L254-L257 PolarHBondContact O-N 3.34Å; L254-V258 HydrophobicContact CD1-CG2 3.69Å; L254-V258 HydrophobicContact CG-CG2 4.23Å; L254-V258 WeakPolarHBondContact O-CB 3.46Å; L254-V258 PolarHBondContact O-N 3.41Å; L254-V264 HydrophobicContact CD2-CG1 4.45Å; L254-F298 HydrophobicContact CB-CD1 4.33Å; L254-F298 HydrophobicContact CD2-CD1 4.25Å; L254-F298 HydrophobicContact CD2-CD2 4.17Å; L254-F298 HydrophobicContact CD2-CE1 4.29Å; L254-F298 HydrophobicContact CD2-CE2 4.22Å; L254-F298 HydrophobicContact CD2-CG 4.2Å; L254-F298 HydrophobicContact CD2-CZ 4.29Å; L254-V336 HydrophobicContact CD1-CG1 4.04Å
255	P	82	Confident	81.1	Confident	27 Å²	27	39.3 Å²	39.3	18%	0.175	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-33.2	174.5	-26.1	37.1	0	0	0	114.1	P252 D253 G259 T260 F298	P252-P255 WeakPolarHBondContact O-CD 3.4Å; D253-P255 VanDerWaalsContact C-CD 3.47Å; P255-G259 WeakPolarHBondContact O-CA 3.42Å; P255-G259 PolarHBondContact O-N 3.36Å; P255-T260 HydrophobicContact CB-CG2 4.26Å; P255-F298 HydrophobicContact CG-CB 3.95Å
256	D	83.3	Confident	81.5	Confident	106 Å²	106	38.8 Å²	38.8	57%	0.567	23%	0.23	S	C	*	.	H	α-helix	trans	-80.9	-38.5	-178.1	-63.5	-44.6	0	0	0	112.4	D253 L254	D253-D256 PolarHBondContact O-N 2.79Å; D253-D256 VanDerWaalsContact O-N 3.09Å; L254-D256 VanDerWaalsContact C-N 3.27Å; L254-D256 PolarHBondContact O-N 3Å
257	L	78.9	Confident	82.1	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-68.6	-44.6	177.3	-67.4	173.6	0	0	0	111.9	R224 V227 V251 D253 L254 I489	R224-L257 HydrophobicContact CB-CD2 3.88Å; R224-L257 HydrophobicContact CG-CD2 3.89Å; V227-L257 HydrophobicContact CG1-CB 3.93Å; V251-L257 HydrophobicContact CG1-CD1 3.91Å; D253-L257 WeakPolarHBondContact O-CG 3.41Å; D253-L257 PolarHBondContact O-N 3.29Å; D253-L257 VanDerWaalsContact O-N 3.11Å; L254-L257 PolarHBondContact O-N 3.34Å; L257-I489 HydrophobicContact CD1-CD1 4.05Å
258	V	80.8	Confident	83	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-95.9	-35	-174.1	175.3	0	0	0	0	112.3	R231 V237 L254 K262	R231-V258 VanDerWaalsContact CA-O 3.31Å; R231-V258 WeakPolarHBondContact CA-O 3.28Å; R231-V258 WeakPolarHBondContact CB-O 3.48Å; V237-V258 HydrophobicContact CG2-CG1 3.66Å; V237-V258 HydrophobicContact CG2-CG2 4.34Å; L254-V258 HydrophobicContact CD1-CG2 3.69Å; L254-V258 HydrophobicContact CG-CG2 4.23Å; L254-V258 WeakPolarHBondContact O-CB 3.46Å; L254-V258 PolarHBondContact O-N 3.41Å; V258-K262 HydrophobicContact CG1-CB 4.14Å; V258-K262 HydrophobicContact CG1-CD 3.64Å; V258-K262 HydrophobicContact CG1-CG 4.05Å; V258-K262 WeakPolarHBondContact O-CE 3.41Å
259	G	80.3	Confident	83.9	Confident	10 Å²	10	32.9 Å²	32.9	10%	0.103	19%	0.185	C	C	.	.			trans	86.2	133.9	-169	0	0	0	0	0	112.5	P255 N261	P255-G259 WeakPolarHBondContact O-CA 3.42Å; P255-G259 PolarHBondContact O-N 3.36Å; G259-N261 PolarHBondContact O-N 3.07Å
260	T	79.9	Confident	84.5	Confident	85 Å²	85	34.2 Å²	34.2	52%	0.521	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.1	-175.2	51.1	0	0	0	0	115.9	P255 K262	P255-T260 HydrophobicContact CB-CG2 4.26Å; T260-K262 PolarHBondContact O-N 3.25Å; T260-K262 VanDerWaalsContact O-N 3.17Å
261	N	79.3	Confident	84.9	Confident	160 Å²	160	33.2 Å²	33.2	86%	0.856	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	26.1	-174.6	-64.1	-15.4	0	0	0	113.9	G259	G259-N261 PolarHBondContact O-N 3.07Å
262	K	82.4	Confident	85.5	Confident	24 Å²	24	32.8 Å²	32.8	10%	0.104	18%	0.182	C	C	.	.	S	Bend	trans	-123.5	153	179.8	-56	-156.3	-156.1	-54.7	0	112.1	V230 R231 R233 V237 V258 T260	V230-K262 VanDerWaalsContact O-CE 3.29Å; V230-K262 WeakPolarHBondContact O-CE 3.18Å; V230-K262 PolarHBondContact O-NZ 2.9Å; R231-K262 PolarHBondContact O-NZ 2.73Å; R233-K262 PolarHBondContact O-NZ 2.91Å; V237-K262 HydrophobicContact CG2-CD 4.29Å; V258-K262 HydrophobicContact CG1-CB 4.14Å; V258-K262 HydrophobicContact CG1-CD 3.64Å; V258-K262 HydrophobicContact CG1-CG 4.05Å; V258-K262 WeakPolarHBondContact O-CE 3.41Å; T260-K262 PolarHBondContact O-N 3.25Å; T260-K262 VanDerWaalsContact O-N 3.17Å
263	Q	86.9	Confident	86.4	Confident	86 Å²	86	28.9 Å²	28.9	40%	0.402	16%	0.156	S	C	.	.			trans	-82.2	128.1	168.8	-69.6	-179.6	-22	0	0	109.1	L236 V237 A303	L236-Q263 HydrophobicContact CD1-CB 3.76Å; V237-Q263 PolarHBondContact N-O 3.09Å; V237-Q263 VanDerWaalsContact N-O 3.1Å; Q263-A303 HydrophobicContact CB-CB 4.34Å
264	V	90.3	Very high	87.1	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.4	175.5	-176.1	0	0	0	0	108.7	V237 L239 L254 V266 Q301 V302 A303	V237-V264 CarbonylContact O-C 3.53Å; V237-V264 WeakPolarHBondContact O-CA 3.21Å; L239-V264 HydrophobicContact CB-CG1 3.9Å; L254-V264 HydrophobicContact CD2-CG1 4.45Å; V264-V266 HydrophobicContact CG1-CG2 3.98Å; V264-Q301 HydrophobicContact CG2-CB 4.09Å; V264-Q301 PolarHBondContact N-O 3.27Å; V264-V302 CarbonylContact O-C 3.57Å; V264-V302 WeakPolarHBondContact O-CA 3.35Å; V264-A303 PolarHBondContact O-N 3.44Å
265	V	93.1	Very high	87.5	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.2	168.2	175.2	0	0	0	0	107.5	L236 V237 L238 L239 L267 A303 D304 L319	L236-V265 HydrophobicContact CD1-CG2 4.2Å; V237-V265 PolarHBondContact O-N 2.7Å; L238-V265 CarbonylContact C-O 3.52Å; L238-V265 WeakPolarHBondContact CA-O 3.44Å; L238-V265 HydrophobicContact CD2-CB 3.9Å; L238-V265 HydrophobicContact CD2-CG1 4.4Å; L239-V265 PolarHBondContact N-O 3.27Å; V265-L267 HydrophobicContact CG1-CD2 3.9Å; V265-A303 HydrophobicContact CG2-CB 4.3Å; V265-D304 WeakPolarHBondContact CA-O 3.45Å; V265-L319 HydrophobicContact CG1-CD1 4.49Å
266	V	93.9	Very high	87.7	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.5	-172.6	-168.8	0	0	0	0	110.7	L239 V241 V264 L289 F298 V302 D304 L305 H306	L239-V266 HydrophobicContact CB-CG1 4.4Å; L239-V266 HydrophobicContact CB-CG2 4.38Å; L239-V266 HydrophobicContact CD2-CG1 4.08Å; L239-V266 HydrophobicContact CD2-CG2 4.21Å; L239-V266 HydrophobicContact CG-CG1 4.45Å; V241-V266 HydrophobicContact CG2-CG1 3.7Å; V264-V266 HydrophobicContact CG1-CG2 3.98Å; V266-L289 HydrophobicContact CB-CD2 4.33Å; V266-L289 HydrophobicContact CG1-CD2 3.59Å; V266-F298 HydrophobicContact CG2-CE2 4.2Å; V266-V302 HydrophobicContact CG2-CG1 3.95Å; V266-V302 HydrophobicContact CG2-CG2 3.86Å; V266-D304 PolarHBondContact N-O 2.8Å; V266-L305 HydrophobicContact CB-CG 4.44Å; V266-L305 CarbonylContact O-C 3.21Å; V266-L305 VanDerWaalsContact O-CA 3.26Å; V266-L305 WeakPolarHBondContact O-CA 3.4Å; V266-H306 PolarHBondContact O-N 2.73Å
267	L	94.9	Very high	87.8	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	97.4	-170	-54.3	-175.9	0	0	0	109.5	L238 L239 V240 V241 V265 N269 H306 I308 L319 L346	L238-L267 HydrophobicContact CB-CD1 4.03Å; L238-L267 HydrophobicContact CD1-CD1 4.48Å; L239-L267 PolarHBondContact O-N 2.65Å; V240-L267 HydrophobicContact CG2-CD1 4.46Å; V241-L267 PolarHBondContact N-O 3.09Å; V265-L267 HydrophobicContact CG1-CD2 3.9Å; L267-N269 PolarHBondContact O-N 2.79Å; L267-H306 WeakPolarHBondContact CA-O 3.35Å; L267-H306 HydrophobicContact CD2-CB 4Å; L267-I308 HydrophobicContact CB-CD1 3.96Å; L267-I308 HydrophobicContact CD1-CD1 4.35Å; L267-L319 HydrophobicContact CD1-CD1 4.47Å; L267-L319 HydrophobicContact CD1-CD2 3.9Å; L267-L319 HydrophobicContact CD2-CD1 3.49Å; L267-L319 VanDerWaalsContact CD2-CD1 3.49Å; L267-L319 HydrophobicContact CD2-CD2 3.95Å; L267-L319 HydrophobicContact CD2-CG 4.34Å; L267-L346 HydrophobicContact CD1-CD2 3.62Å
268	G	94.6	Very high	88.1	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	102.5	171.5	0	0	0	0	0	109.8	V241 L243 H306 L307 I308	V241-G268 WeakPolarHBondContact O-CA 3.47Å; L243-G268 WeakPolarHBondContact CD1-O 3.2Å; G268-H306 PolarHBondContact N-O 3.1Å; G268-L307 WeakPolarHBondContact O-CA 3.47Å; G268-I308 PolarHBondContact O-N 2.99Å
269	N	93.2	Very high	88.3	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	170.5	-178.4	-166.2	24.9	0	0	0	112	V240 V241 L243 L267 V271 I308 A310 V341	V240-N269 HydrophobicContact CG1-CB 4Å; V241-N269 PolarHBondContact O-N 3.22Å; L243-N269 VanDerWaalsContact CB-O 3.31Å; L243-N269 WeakPolarHBondContact CB-O 3.35Å; L243-N269 WeakPolarHBondContact CD1-O 3.32Å; L243-N269 VanDerWaalsContact CG-O 3.27Å; L243-N269 WeakPolarHBondContact CG-O 3.16Å; L243-N269 PolarHBondContact N-O 2.9Å; L267-N269 PolarHBondContact O-N 2.79Å; N269-V271 VanDerWaalsContact C-N 3.28Å; N269-V271 PolarHBondContact O-N 2.98Å; N269-I308 CarbonylContact C-O 3.49Å; N269-I308 WeakPolarHBondContact CA-O 3.42Å; N269-I308 HydrophobicContact CB-CG1 4.27Å; N269-A310 PolarHBondContact OD1-N 2.87Å; N269-V341 PolarHBondContact ND2-O 2.79Å
270	K	91.5	Very high	88.6	Confident	31 Å²	31	33 Å²	33	14%	0.135	19%	0.19	C	C	.	.			trans	63.7	25.5	-179	-51.2	-171	-168.9	169	0	114.6	D242 D272 L273 I308 N340	D242-K270 WeakPolarHBondContact OD2-CD 3.39Å; D242-K270 WeakPolarHBondContact OD2-CE 3.11Å; D242-K270 IonicContact OD2-NZ 2.66Å; D242-K270 PolarHBondContact OD2-NZ 2.86Å; K270-D272 WeakPolarHBondContact CA-OD1 3.48Å; K270-D272 PolarHBondContact O-N 2.85Å; K270-D272 VanDerWaalsContact O-N 3.14Å; K270-L273 HydrophobicContact CB-CD1 3.93Å; K270-L273 HydrophobicContact CB-CG 4.19Å; K270-L273 HydrophobicContact CD-CD1 3.94Å; K270-L273 HydrophobicContact CG-CD1 4.32Å; K270-L273 WeakPolarHBondContact O-CB 3.29Å; K270-L273 PolarHBondContact O-N 2.91Å; K270-I308 PolarHBondContact N-O 2.75Å; K270-N340 WeakPolarHBondContact CE-O 3.48Å; K270-N340 PolarHBondContact NZ-O 2.93Å
271	V	91.9	Very high	89.1	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-62.1	-20.9	178.3	78	0	0	0	0	113.1	L243 N269 L273 L274 L282 L307 I308 F314 L427	L243-V271 HydrophobicContact CD1-CB 3.62Å; L243-V271 HydrophobicContact CD1-CG2 3.84Å; N269-V271 VanDerWaalsContact C-N 3.28Å; N269-V271 PolarHBondContact O-N 2.98Å; V271-L273 VanDerWaalsContact C-N 3.29Å; V271-L273 PolarHBondContact O-N 2.85Å; V271-L274 PolarHBondContact O-N 3.16Å; V271-L282 HydrophobicContact CG2-CD2 3.61Å; V271-L307 HydrophobicContact CG2-CB 4.31Å; V271-I308 VanDerWaalsContact CG1-O 3.28Å; V271-I308 WeakPolarHBondContact CG1-O 3.22Å; V271-I308 PolarHBondContact N-O 3.37Å; V271-F314 HydrophobicContact CG1-CD1 3.48Å; V271-F314 VanDerWaalsContact CG1-CD1 3.48Å; V271-F314 HydrophobicContact CG1-CE1 3.93Å; V271-F314 HydrophobicContact CG1-CG 4.27Å; V271-L427 HydrophobicContact CG1-CD1 3.95Å; V271-L427 HydrophobicContact CG2-CD1 4.06Å
272	D	89.7	Confident	89.6	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.021	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-70.7	-19.2	173.5	61.5	-66.4	0	0	0	114.1	K270 S309 T312 G425 Y426 L427	K270-D272 WeakPolarHBondContact CA-OD1 3.48Å; K270-D272 PolarHBondContact O-N 2.85Å; K270-D272 VanDerWaalsContact O-N 3.14Å; D272-S309 WeakPolarHBondContact OD1-CB 3.48Å; D272-S309 PolarHBondContact OD1-OG 3.39Å; D272-T312 HydrophobicContact CB-CG2 3.7Å; D272-G425 CarbonylContact O-C 3.5Å; D272-G425 WeakPolarHBondContact O-CA 3.21Å; D272-Y426 PolarHBondContact O-N 3.02Å; D272-L427 WeakPolarHBondContact CB-O 3.41Å
273	L	90.5	Very high	90.1	Very high	6 Å²	6	29 Å²	29	3%	0.031	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-83.7	-18.6	176.8	-57	-175.5	0	0	0	112.5	L244 K270 V271 P509 I513	L244-L273 HydrophobicContact CD1-CD1 3.95Å; L244-L273 HydrophobicContact CD2-CB 4.28Å; K270-L273 HydrophobicContact CB-CD1 3.93Å; K270-L273 HydrophobicContact CB-CG 4.19Å; K270-L273 HydrophobicContact CD-CD1 3.94Å; K270-L273 HydrophobicContact CG-CD1 4.32Å; K270-L273 WeakPolarHBondContact O-CB 3.29Å; K270-L273 PolarHBondContact O-N 2.91Å; V271-L273 VanDerWaalsContact C-N 3.29Å; V271-L273 PolarHBondContact O-N 2.85Å; L273-P509 HydrophobicContact CD1-CB 4.35Å; L273-P509 HydrophobicContact CD1-CG 4.09Å; L273-P509 WeakPolarHBondContact CD1-O 3.38Å; L273-I513 HydrophobicContact CB-CD1 4.37Å; L273-I513 HydrophobicContact CB-CG1 4.5Å; L273-I513 WeakPolarHBondContact O-CB 3.32Å; L273-I513 PolarHBondContact O-N 3.06Å
274	L	91	Very high	90.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-84.7	128	-177	-72.8	175.2	0	0	0	112.5	L243 L244 V271 L285 Y426 W618 L648 L649	L243-L274 HydrophobicContact CB-CD1 3.85Å; L243-L274 HydrophobicContact CD1-CD1 4.36Å; L244-L274 HydrophobicContact CD2-CD2 3.66Å; L244-L274 HydrophobicContact CD2-CG 4.05Å; V271-L274 PolarHBondContact O-N 3.16Å; L274-L285 HydrophobicContact CD1-CD1 3.7Å; L274-L285 HydrophobicContact CD1-CD2 4.22Å; L274-Y426 VanDerWaalsContact C-CD2 3.4Å; L274-Y426 WeakPolarHBondContact O-CD2 3.15Å; L274-W618 HydrophobicContact CD2-CH2 3.65Å; L274-W618 HydrophobicContact CD2-CZ2 4.39Å; L274-L648 HydrophobicContact CD2-CD2 4.4Å; L274-L649 HydrophobicContact CD2-CD1 4.26Å
275	P	88.9	Confident	90.3	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.013	15%	0.149	C	C	.	.			trans	-73.9	142.7	173.7	30.3	-34.2	0	0	0	111.8	D277 Y426 P515 L548 L649 L655	P275-D277 PolarHBondContact O-N 2.94Å; P275-Y426 HydrophobicContact CB-CD2 4.33Å; P275-Y426 HydrophobicContact CB-CE2 3.66Å; P275-Y426 HydrophobicContact CG-CE2 4.43Å; P275-P515 HydrophobicContact CB-CG 4.35Å; P275-P515 HydrophobicContact CG-CG 3.8Å; P275-L548 HydrophobicContact CG-CD2 4.05Å; P275-L649 HydrophobicContact CG-CD1 3.91Å; P275-L655 HydrophobicContact CB-CD1 3.82Å; P275-L655 HydrophobicContact CG-CD1 4.18Å
276	A	86.4	Confident	90.3	Very high	42 Å²	42	30.5 Å²	30.5	35%	0.347	17%	0.166	S	C	.	.			trans	-75.9	100.6	174.9	0	0	0	0	0	111.2	Y281	A276-Y281 HydrophobicContact CB-CD1 3.9Å; A276-Y281 HydrophobicContact CB-CE1 3.47Å; A276-Y281 VanDerWaalsContact CB-CE1 3.47Å; A276-Y281 HydrophobicContact CB-CE2 4.24Å; A276-Y281 HydrophobicContact CB-CG 4.45Å
277	D	85.4	Confident	90.2	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.053	19%	0.193	C	C	.	.	S	Bend	trans	-79.9	-27.6	-179.4	69.9	-33.2	0	0	0	114.1	P275 Y281 R284 L649 H651 L655	P275-D277 PolarHBondContact O-N 2.94Å; D277-Y281 WeakPolarHBondContact OD1-CB 3.45Å; D277-R284 IonicContact OD1-CZ 2.7Å; D277-R284 IonicContact OD1-NH2 2.68Å; D277-R284 PolarHBondContact OD1-NH2 3.01Å; D277-R284 IonicContact OD2-CZ 3.17Å; D277-R284 IonicContact OD2-NH2 2.73Å; D277-R284 PolarHBondContact OD2-NH2 2.99Å; D277-L649 HydrophobicContact CB-CB 4.38Å; D277-H651 HydrophobicContact CB-CB 4.13Å; D277-H651 IonicContact OD2-CD2 2.76Å; D277-H651 PolarHBondContact OD2-N 2.84Å; D277-L655 HydrophobicContact CB-CD1 4.27Å
278	A	85.8	Confident	90	Very high	25 Å²	25	40.1 Å²	40.1	21%	0.207	20%	0.202	C	C	.	.	S	Bend	trans	-162.3	153.8	175.4	0	0	0	0	0	110.2	N280 Y281 H651	A278-N280 VanDerWaalsContact C-N 3.27Å; A278-N280 PolarHBondContact O-N 2.98Å; A278-Y281 VanDerWaalsContact O-CB 3.28Å; A278-Y281 WeakPolarHBondContact O-CB 3.4Å; A278-Y281 WeakPolarHBondContact O-CD1 3.3Å; A278-Y281 PolarHBondContact O-N 2.97Å; A278-H651 HydrophobicContact CB-CB 4.44Å
279	P	83.5	Confident	89.8	Confident	121 Å²	121	40.3 Å²	40.3	79%	0.786	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-37.7	-168.6	16	-31.6	0	0	0	115.2	Y281	P279-Y281 VanDerWaalsContact C-N 3.29Å; P279-Y281 PolarHBondContact O-N 2.86Å
280	N	88.1	Confident	89.8	Confident	90 Å²	90	41.8 Å²	41.8	48%	0.481	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	19.8	-179.6	-64.6	-23.3	0	0	0	114.3	A278 L282 Q283 R284	A278-N280 VanDerWaalsContact C-N 3.27Å; A278-N280 PolarHBondContact O-N 2.98Å; N280-L282 PolarHBondContact O-N 2.85Å; N280-Q283 PolarHBondContact O-N 2.92Å; N280-Q283 VanDerWaalsContact O-N 3.17Å; N280-R284 PolarHBondContact O-N 2.14Å
281	Y	89.3	Confident	89.7	Confident	15 Å²	15	47 Å²	47	6%	0.059	24%	0.235	C	C	.	.	H	α-helix	trans	-59.5	-46.2	-174.7	77.3	-71.9	0	0	0	113.3	A276 D277 A278 P279 Q283 R284 L285 L427	A276-Y281 HydrophobicContact CB-CD1 3.9Å; A276-Y281 HydrophobicContact CB-CE1 3.47Å; A276-Y281 VanDerWaalsContact CB-CE1 3.47Å; A276-Y281 HydrophobicContact CB-CE2 4.24Å; A276-Y281 HydrophobicContact CB-CG 4.45Å; D277-Y281 WeakPolarHBondContact OD1-CB 3.45Å; A278-Y281 VanDerWaalsContact O-CB 3.28Å; A278-Y281 WeakPolarHBondContact O-CB 3.4Å; A278-Y281 WeakPolarHBondContact O-CD1 3.3Å; A278-Y281 PolarHBondContact O-N 2.97Å; P279-Y281 VanDerWaalsContact C-N 3.29Å; P279-Y281 PolarHBondContact O-N 2.86Å; Y281-Q283 PolarHBondContact O-N 3.07Å; Y281-R284 CarbonylContact O-C 3.58Å; Y281-R284 WeakPolarHBondContact O-CA 3.45Å; Y281-R284 WeakPolarHBondContact O-CB 3.42Å; Y281-R284 PolarHBondContact O-N 2.86Å; Y281-L285 HydrophobicContact CD2-CD1 3.85Å; Y281-L285 HydrophobicContact CE2-CD1 4.38Å; Y281-L285 WeakPolarHBondContact O-CG 3.41Å; Y281-L285 PolarHBondContact O-N 2.93Å; Y281-L427 WeakPolarHBondContact OH-CD1 3.26Å
282	L	90.6	Very high	89.5	Confident	53 Å²	53	48.3 Å²	48.3	28%	0.277	24%	0.243	S	C	.	.	H	α-helix	trans	-56.8	-37	176.3	-63.4	176.4	0	0	0	112.4	V271 N280 L285 K286 L307 F314 L427	V271-L282 HydrophobicContact CG2-CD2 3.61Å; N280-L282 PolarHBondContact O-N 2.85Å; L282-L285 HydrophobicContact CD2-CD1 4.42Å; L282-L285 PolarHBondContact O-N 3.48Å; L282-K286 PolarHBondContact O-N 2.86Å; L282-L307 HydrophobicContact CB-CD1 4.18Å; L282-L307 HydrophobicContact CD2-CD1 3.98Å; L282-L307 WeakPolarHBondContact O-CD1 3.39Å; L282-F314 HydrophobicContact CD1-CZ 4.29Å; L282-L427 HydrophobicContact CD2-CD1 4.13Å
283	Q	91.8	Very high	89.5	Confident	117 Å²	117	48.2 Å²	48.2	55%	0.547	24%	0.243	S	C	.	.	H	α-helix	trans	-74.3	-25.2	174.9	-61.8	-178.4	-1.6	0	0	113.2	N280 Y281 R287	N280-Q283 PolarHBondContact O-N 2.92Å; N280-Q283 VanDerWaalsContact O-N 3.17Å; Y281-Q283 PolarHBondContact O-N 3.07Å; Q283-R287 WeakPolarHBondContact O-CB 3.27Å; Q283-R287 WeakPolarHBondContact O-CG 3.27Å; Q283-R287 PolarHBondContact O-N 3.01Å; Q283-R287 PolarHBondContact O-NE 2.76Å
284	R	91.3	Very high	89.4	Confident	36 Å²	36	53.9 Å²	53.9	14%	0.136	27%	0.269	C	S	.	.	H	α-helix	trans	-73.8	-44.1	168.8	-67.1	-163.8	-57.4	-72.9	-3	110.4	D277 N280 Y281 R287 R288	D277-R284 IonicContact OD1-CZ 2.7Å; D277-R284 IonicContact OD1-NH2 2.68Å; D277-R284 PolarHBondContact OD1-NH2 3.01Å; D277-R284 IonicContact OD2-CZ 3.17Å; D277-R284 IonicContact OD2-NH2 2.73Å; D277-R284 PolarHBondContact OD2-NH2 2.99Å; N280-R284 PolarHBondContact O-N 2.14Å; Y281-R284 CarbonylContact O-C 3.58Å; Y281-R284 WeakPolarHBondContact O-CA 3.45Å; Y281-R284 WeakPolarHBondContact O-CB 3.42Å; Y281-R284 PolarHBondContact O-N 2.86Å; R284-R287 CarbonylContact O-C 3.51Å; R284-R287 PolarHBondContact O-N 3.31Å; R284-R288 WeakPolarHBondContact O-CG 3.35Å; R284-R288 PolarHBondContact O-N 3.1Å
285	L	91.8	Very high	89.3	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-49.6	177.4	-66.6	171.2	0	0	0	112.1	L274 Y281 L282 R287 R288 L289 L307 L648 L649	L274-L285 HydrophobicContact CD1-CD1 3.7Å; L274-L285 HydrophobicContact CD1-CD2 4.22Å; Y281-L285 HydrophobicContact CD2-CD1 3.85Å; Y281-L285 HydrophobicContact CE2-CD1 4.38Å; Y281-L285 WeakPolarHBondContact O-CG 3.41Å; Y281-L285 PolarHBondContact O-N 2.93Å; L282-L285 HydrophobicContact CD2-CD1 4.42Å; L282-L285 PolarHBondContact O-N 3.48Å; L285-R287 VanDerWaalsContact C-N 3.28Å; L285-R287 PolarHBondContact O-N 2.91Å; L285-R288 PolarHBondContact O-N 3.16Å; L285-R288 VanDerWaalsContact O-N 3.14Å; L285-L289 PolarHBondContact O-N 3.35Å; L285-L307 HydrophobicContact CB-CD1 3.96Å; L285-L648 HydrophobicContact CD2-CD1 3.52Å; L285-L648 HydrophobicContact CD2-CG 3.84Å; L285-L649 HydrophobicContact CD2-CD2 4.35Å
286	K	92.7	Very high	89.1	Confident	82 Å²	82	61.1 Å²	61.1	36%	0.357	31%	0.312	S	S	.	.	H	α-helix	trans	-57.3	-39.5	173.9	174.1	155.3	-180	161.7	0	111.8	L282 A290 D304 L305 L307	L282-K286 PolarHBondContact O-N 2.86Å; K286-A290 VanDerWaalsContact O-CB 3.24Å; K286-A290 WeakPolarHBondContact O-CB 3.44Å; K286-A290 PolarHBondContact O-N 3.48Å; K286-D304 IonicContact NZ-OD1 2.73Å; K286-D304 PolarHBondContact NZ-OD1 3Å; K286-L305 HydrophobicContact CB-CD2 4.3Å; K286-L305 HydrophobicContact CD-CD2 4.19Å; K286-L305 WeakPolarHBondContact CD-O 3.29Å; K286-L305 VanDerWaalsContact CE-O 3.27Å; K286-L305 WeakPolarHBondContact CE-O 3.49Å; K286-L305 HydrophobicContact CG-CD1 4.16Å; K286-L305 HydrophobicContact CG-CD2 3.91Å; K286-L305 HydrophobicContact CG-CG 4.46Å; K286-L305 PolarHBondContact NZ-O 3.13Å; K286-L305 WeakPolarHBondContact O-CD1 3.35Å; K286-L307 HydrophobicContact CB-CD1 4.39Å
287	R	91.9	Very high	88.9	Confident	149 Å²	149	61.9 Å²	61.9	56%	0.562	32%	0.323	S	S	*	.	H	α-helix	trans	-73.3	-30.7	176.1	-75.8	-176.8	-68.1	165.5	-5.1	114.3	Q283 R284 L285 R291	Q283-R287 WeakPolarHBondContact O-CB 3.27Å; Q283-R287 WeakPolarHBondContact O-CG 3.27Å; Q283-R287 PolarHBondContact O-N 3.01Å; Q283-R287 PolarHBondContact O-NE 2.76Å; R284-R287 CarbonylContact O-C 3.51Å; R284-R287 PolarHBondContact O-N 3.31Å; L285-R287 VanDerWaalsContact C-N 3.28Å; L285-R287 PolarHBondContact O-N 2.91Å; R287-R291 WeakPolarHBondContact O-CG 3.16Å; R287-R291 PolarHBondContact O-N 3.31Å
288	R	89.8	Confident	88.9	Confident	54 Å²	54	61.4 Å²	61.4	20%	0.204	32%	0.321	C	S	.	.	H	α-helix	trans	-69	-53.3	173.4	-75.6	-75	-173.4	-91.2	-1.8	110.1	R284 L285 A290 R291 C292 P646 P647	R284-R288 WeakPolarHBondContact O-CG 3.35Å; R284-R288 PolarHBondContact O-N 3.1Å; L285-R288 PolarHBondContact O-N 3.16Å; L285-R288 VanDerWaalsContact O-N 3.14Å; R288-A290 VanDerWaalsContact C-N 3.29Å; R288-A290 PolarHBondContact O-N 3.28Å; R288-R291 WeakPolarHBondContact O-CA 3.39Å; R288-R291 WeakPolarHBondContact O-CB 3.43Å; R288-R291 PolarHBondContact O-N 3.43Å; R288-C292 PolarHBondContact O-N 3.31Å; R288-C292 PolarHBondContact O-SG 3.16Å; R288-P646 VanDerWaalsContact CZ-CG 3.48Å; R288-P647 PolarHBondContact NE-O 3.24Å
289	L	91.4	Very high	88.7	Confident	4 Å²	4	61.2 Å²	61.2	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-35.4	-178.8	-167.6	147.4	0	0	0	111.9	V241 L243 V266 L285 R291 C292 C293 L305	V241-L289 HydrophobicContact CB-CD1 4.28Å; V241-L289 HydrophobicContact CG1-CD1 4.15Å; L243-L289 HydrophobicContact CD2-CD1 3.62Å; V266-L289 HydrophobicContact CB-CD2 4.33Å; V266-L289 HydrophobicContact CG1-CD2 3.59Å; L285-L289 PolarHBondContact O-N 3.35Å; L289-R291 PolarHBondContact O-N 3.37Å; L289-C292 PolarHBondContact O-N 2.92Å; L289-C293 PolarHBondContact O-N 2.67Å; L289-C293 PolarHBondContact O-SG 2.98Å; L289-L305 HydrophobicContact CB-CD1 4.31Å; L289-L305 HydrophobicContact CD2-CD1 3.56Å; L289-L305 HydrophobicContact CD2-CD2 4.04Å; L289-L305 HydrophobicContact CD2-CG 3.72Å
290	A	91.8	Very high	88.6	Confident	35 Å²	35	62.1 Å²	62.1	29%	0.289	33%	0.325	S	S	.	.	H	α-helix	trans	-60.1	-41.2	171.3	0	0	0	0	0	113.1	K286 R288 C293 Q294 L305	K286-A290 VanDerWaalsContact O-CB 3.24Å; K286-A290 WeakPolarHBondContact O-CB 3.44Å; K286-A290 PolarHBondContact O-N 3.48Å; R288-A290 VanDerWaalsContact C-N 3.29Å; R288-A290 PolarHBondContact O-N 3.28Å; A290-C293 PolarHBondContact O-N 2.94Å; A290-Q294 WeakPolarHBondContact O-CG 3.48Å; A290-Q294 PolarHBondContact O-N 2.94Å; A290-L305 HydrophobicContact CB-CD1 3.8Å
291	R	90.1	Very high	88.5	Confident	141 Å²	141	58.9 Å²	58.9	53%	0.532	31%	0.307	S	S	.	.	H	α-helix	trans	-64.9	-48.8	173.3	-72.4	176.7	-177.3	-166	-3.9	111.1	R287 R288 L289 C293 Q294 D295	R287-R291 WeakPolarHBondContact O-CG 3.16Å; R287-R291 PolarHBondContact O-N 3.31Å; R288-R291 WeakPolarHBondContact O-CA 3.39Å; R288-R291 WeakPolarHBondContact O-CB 3.43Å; R288-R291 PolarHBondContact O-N 3.43Å; L289-R291 PolarHBondContact O-N 3.37Å; R291-C293 PolarHBondContact O-N 3.32Å; R291-Q294 CarbonylContact O-C 3.54Å; R291-Q294 VanDerWaalsContact O-CA 3.31Å; R291-Q294 WeakPolarHBondContact O-CA 3.47Å; R291-Q294 VanDerWaalsContact O-CB 3.28Å; R291-Q294 WeakPolarHBondContact O-CB 3.38Å; R291-Q294 PolarHBondContact O-N 3.16Å; R291-D295 PolarHBondContact O-N 2.89Å
292	C	88.8	Confident	88.4	Confident	26 Å²	26	60.1 Å²	60.1	18%	0.176	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-27.5	179.2	-54.9	0	0	0	0	113.1	L250 R288 L289 D295 A296	L250-C292 HydrophobicContact CD1-CB 3.54Å; L250-C292 WeakPolarHBondContact CD1-O 3.14Å; R288-C292 PolarHBondContact O-N 3.31Å; R288-C292 PolarHBondContact O-SG 3.16Å; L289-C292 PolarHBondContact O-N 2.92Å; C292-D295 WeakPolarHBondContact CA-OD2 3.34Å; C292-D295 PolarHBondContact N-OD2 3.22Å; C292-A296 WeakPolarHBondContact O-CB 3.38Å; C292-A296 PolarHBondContact O-N 3.29Å
293	C	89.3	Confident	88.3	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.014	33%	0.326	C	S	.	.	H	α-helix	trans	-74.7	-29	170.7	-60.9	0	0	0	0	113.7	L289 A290 R291 F298 G299 V302	L289-C293 PolarHBondContact O-N 2.67Å; L289-C293 PolarHBondContact O-SG 2.98Å; A290-C293 PolarHBondContact O-N 2.94Å; R291-C293 PolarHBondContact O-N 3.32Å; C293-F298 HydrophobicContact CB-CD2 4.28Å; C293-F298 HydrophobicContact CB-CE2 3.65Å; C293-F298 HydrophobicContact CB-CZ 3.89Å; C293-F298 PolarHBondContact O-N 2.85Å; C293-G299 WeakPolarHBondContact O-CA 3.33Å; C293-G299 PolarHBondContact O-N 2.86Å; C293-V302 HydrophobicContact CB-CG2 4.24Å
294	Q	88.8	Confident	88.2	Confident	125 Å²	125	57.7 Å²	57.7	58%	0.584	32%	0.315	S	S	*	.	H	α-helix	trans	-73.1	-45.8	170.9	-66.2	166.6	-24.3	0	0	110.6	A290 R291 A296 G297	A290-Q294 WeakPolarHBondContact O-CG 3.48Å; A290-Q294 PolarHBondContact O-N 2.94Å; R291-Q294 CarbonylContact O-C 3.54Å; R291-Q294 VanDerWaalsContact O-CA 3.31Å; R291-Q294 WeakPolarHBondContact O-CA 3.47Å; R291-Q294 VanDerWaalsContact O-CB 3.28Å; R291-Q294 WeakPolarHBondContact O-CB 3.38Å; R291-Q294 PolarHBondContact O-N 3.16Å; Q294-A296 VanDerWaalsContact C-N 3.26Å; Q294-A296 PolarHBondContact O-N 3.4Å; Q294-G297 PolarHBondContact O-N 2.92Å
295	D	87.4	Confident	88.3	Confident	127 Å²	127	56.3 Å²	56.3	68%	0.679	31%	0.311	S	S	*	.	H	α-helix	trans	-60.6	-36.2	176.8	-50.6	-35.9	0	0	0	111	R291 C292 G297	R291-D295 PolarHBondContact O-N 2.89Å; C292-D295 WeakPolarHBondContact CA-OD2 3.34Å; C292-D295 PolarHBondContact N-OD2 3.22Å; D295-G297 VanDerWaalsContact C-N 3.25Å; D295-G297 PolarHBondContact O-N 3.49Å
296	A	84.7	Confident	88.4	Confident	28 Å²	28	57.7 Å²	57.7	23%	0.231	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	15.1	172.2	0	0	0	0	0	114.6	L250 C292 Q294 F298	L250-A296 HydrophobicContact CD1-CB 4.35Å; C292-A296 WeakPolarHBondContact O-CB 3.38Å; C292-A296 PolarHBondContact O-N 3.29Å; Q294-A296 VanDerWaalsContact C-N 3.26Å; Q294-A296 PolarHBondContact O-N 3.4Å; A296-F298 VanDerWaalsContact C-N 3.26Å; A296-F298 HydrophobicContact CB-CD1 3.95Å; A296-F298 HydrophobicContact CB-CE1 3.67Å; A296-F298 WeakPolarHBondContact O-CD1 3.45Å; A296-F298 PolarHBondContact O-N 3.4Å
297	G	83.7	Confident	88.5	Confident	57 Å²	57	54.8 Å²	54.8	59%	0.588	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	-9	168.5	0	0	0	0	0	117.7	Q294 D295	Q294-G297 PolarHBondContact O-N 2.92Å; D295-G297 VanDerWaalsContact C-N 3.25Å; D295-G297 PolarHBondContact O-N 3.49Å
298	F	84.6	Confident	88.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.278	C	S	.	.			trans	-102.4	3.9	-178	67.8	-99	0	0	0	114.9	L239 L250 L254 P255 V266 C293 A296 T300 Q301 V302	L239-F298 HydrophobicContact CD2-CE1 4.38Å; L239-F298 HydrophobicContact CD2-CE2 3.71Å; L239-F298 HydrophobicContact CD2-CZ 3.47Å; L239-F298 VanDerWaalsContact CD2-CZ 3.47Å; L250-F298 HydrophobicContact CD2-CZ 4.28Å; L254-F298 HydrophobicContact CB-CD1 4.33Å; L254-F298 HydrophobicContact CD2-CD1 4.25Å; L254-F298 HydrophobicContact CD2-CD2 4.17Å; L254-F298 HydrophobicContact CD2-CE1 4.29Å; L254-F298 HydrophobicContact CD2-CE2 4.22Å; L254-F298 HydrophobicContact CD2-CG 4.2Å; L254-F298 HydrophobicContact CD2-CZ 4.29Å; P255-F298 HydrophobicContact CG-CB 3.95Å; V266-F298 HydrophobicContact CG2-CE2 4.2Å; C293-F298 HydrophobicContact CB-CD2 4.28Å; C293-F298 HydrophobicContact CB-CE2 3.65Å; C293-F298 HydrophobicContact CB-CZ 3.89Å; C293-F298 PolarHBondContact O-N 2.85Å; A296-F298 VanDerWaalsContact C-N 3.26Å; A296-F298 HydrophobicContact CB-CD1 3.95Å; A296-F298 HydrophobicContact CB-CE1 3.67Å; A296-F298 WeakPolarHBondContact O-CD1 3.45Å; A296-F298 PolarHBondContact O-N 3.4Å; F298-T300 PolarHBondContact O-N 2.81Å; F298-Q301 WeakPolarHBondContact O-CB 3.43Å; F298-Q301 PolarHBondContact O-N 3.26Å; F298-V302 HydrophobicContact CD2-CG2 3.95Å; F298-V302 HydrophobicContact CE2-CG2 4.08Å
299	G	80.8	Confident	88.7	Confident	22 Å²	22	45.2 Å²	45.2	23%	0.227	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-55.9	-23.1	-174.3	0	0	0	0	0	116.1	C293 Q301	C293-G299 WeakPolarHBondContact O-CA 3.33Å; C293-G299 PolarHBondContact O-N 2.86Å; G299-Q301 VanDerWaalsContact C-N 3.32Å
300	T	82.3	Confident	88.5	Confident	139 Å²	139	45.4 Å²	45.4	85%	0.853	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-74.3	-17.8	175	50.6	0	0	0	0	114.1	F298	F298-T300 PolarHBondContact O-N 2.81Å
301	Q	85.1	Confident	88.2	Confident	23 Å²	23	45.5 Å²	45.5	11%	0.107	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-93.3	-6.3	179.3	-61.2	165.9	44.5	0	0	112.5	V264 F298 G299 A303	V264-Q301 HydrophobicContact CG2-CB 4.09Å; V264-Q301 PolarHBondContact N-O 3.27Å; F298-Q301 WeakPolarHBondContact O-CB 3.43Å; F298-Q301 PolarHBondContact O-N 3.26Å; G299-Q301 VanDerWaalsContact C-N 3.32Å; Q301-A303 PolarHBondContact O-N 3Å
302	V	88.4	Confident	87.9	Confident	41 Å²	41	39 Å²	39	25%	0.248	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	109	-175.3	179.5	0	0	0	0	110.6	V264 V266 C293 F298	V264-V302 CarbonylContact O-C 3.57Å; V264-V302 WeakPolarHBondContact O-CA 3.35Å; V266-V302 HydrophobicContact CG2-CG1 3.95Å; V266-V302 HydrophobicContact CG2-CG2 3.86Å; C293-V302 HydrophobicContact CB-CG2 4.24Å; F298-V302 HydrophobicContact CD2-CG2 3.95Å; F298-V302 HydrophobicContact CE2-CG2 4.08Å
303	A	87.9	Confident	87.7	Confident	57 Å²	57	38.2 Å²	38.2	47%	0.471	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-38.5	-177.6	0	0	0	0	0	113.5	Q263 V264 V265 Q301	Q263-A303 HydrophobicContact CB-CB 4.34Å; V264-A303 PolarHBondContact O-N 3.44Å; V265-A303 HydrophobicContact CG2-CB 4.3Å; Q301-A303 PolarHBondContact O-N 3Å
304	D	90.6	Very high	87.8	Confident	62 Å²	62	38.8 Å²	38.8	33%	0.332	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	169.6	164	-159.9	-5.2	0	0	0	109.1	V265 V266 K286 H306	V265-D304 WeakPolarHBondContact CA-O 3.45Å; V266-D304 PolarHBondContact N-O 2.8Å; K286-D304 IonicContact NZ-OD1 2.73Å; K286-D304 PolarHBondContact NZ-OD1 3Å; D304-H306 IonicContact OD2-CE1 2.91Å; D304-H306 PolarHBondContact OD2-CE1 2.91Å; D304-H306 IonicContact OD2-NE2 2.73Å
305	L	92.9	Very high	87.8	Confident	7 Å²	7	34 Å²	34	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	116.6	-177.6	-172.1	177.7	0	0	0	108.8	V266 K286 L289 A290 L307	V266-L305 HydrophobicContact CB-CG 4.44Å; V266-L305 CarbonylContact O-C 3.21Å; V266-L305 VanDerWaalsContact O-CA 3.26Å; V266-L305 WeakPolarHBondContact O-CA 3.4Å; K286-L305 HydrophobicContact CB-CD2 4.3Å; K286-L305 HydrophobicContact CD-CD2 4.19Å; K286-L305 WeakPolarHBondContact CD-O 3.29Å; K286-L305 VanDerWaalsContact CE-O 3.27Å; K286-L305 WeakPolarHBondContact CE-O 3.49Å; K286-L305 HydrophobicContact CG-CD1 4.16Å; K286-L305 HydrophobicContact CG-CD2 3.91Å; K286-L305 HydrophobicContact CG-CG 4.46Å; K286-L305 PolarHBondContact NZ-O 3.13Å; K286-L305 WeakPolarHBondContact O-CD1 3.35Å; L289-L305 HydrophobicContact CB-CD1 4.31Å; L289-L305 HydrophobicContact CD2-CD1 3.56Å; L289-L305 HydrophobicContact CD2-CD2 4.04Å; L289-L305 HydrophobicContact CD2-CG 3.72Å; A290-L305 HydrophobicContact CB-CD1 3.8Å; L305-L307 HydrophobicContact CD2-CD2 3.93Å
306	H	94.1	Very high	87.9	Confident	30 Å²	30	28.1 Å²	28.1	14%	0.139	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.7	177.6	-56.7	-70.3	0	0	0	111.2	V266 L267 G268 D304 I308 L319 A322	V266-H306 PolarHBondContact O-N 2.73Å; L267-H306 WeakPolarHBondContact CA-O 3.35Å; L267-H306 HydrophobicContact CD2-CB 4Å; G268-H306 PolarHBondContact N-O 3.1Å; D304-H306 IonicContact OD2-CE1 2.91Å; D304-H306 PolarHBondContact OD2-CE1 2.91Å; D304-H306 IonicContact OD2-NE2 2.73Å; H306-I308 HydrophobicContact CB-CG2 4.2Å; H306-L319 VanDerWaalsContact CD2-CD1 3.48Å; H306-L319 WeakPolarHBondContact CD2-CD1 3.28Å; H306-A322 VanDerWaalsContact CE1-CB 3.49Å; H306-A322 WeakPolarHBondContact CE1-CB 3.37Å; H306-A322 WeakPolarHBondContact NE2-CB 3.43Å
307	L	94.5	Very high	88.2	Confident	22 Å²	22	27.4 Å²	27.4	12%	0.115	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.9	166.7	-53.1	-176.3	0	0	0	107.7	L243 G268 V271 L282 L285 K286 L305	L243-L307 HydrophobicContact CD1-CD2 4.17Å; L243-L307 HydrophobicContact CD2-CD2 4.03Å; G268-L307 WeakPolarHBondContact O-CA 3.47Å; V271-L307 HydrophobicContact CG2-CB 4.31Å; L282-L307 HydrophobicContact CB-CD1 4.18Å; L282-L307 HydrophobicContact CD2-CD1 3.98Å; L282-L307 WeakPolarHBondContact O-CD1 3.39Å; L285-L307 HydrophobicContact CB-CD1 3.96Å; K286-L307 HydrophobicContact CB-CD1 4.39Å; L305-L307 HydrophobicContact CD2-CD2 3.93Å
308	I	94.2	Very high	88.4	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	18%	0.177	C	C	.	.			trans	-139.1	161.4	-171.8	62.7	170.9	0	0	0	111.4	L267 G268 N269 K270 V271 H306 F314 L316 L319 L346	L267-I308 HydrophobicContact CB-CD1 3.96Å; L267-I308 HydrophobicContact CD1-CD1 4.35Å; G268-I308 PolarHBondContact O-N 2.99Å; N269-I308 CarbonylContact C-O 3.49Å; N269-I308 WeakPolarHBondContact CA-O 3.42Å; N269-I308 HydrophobicContact CB-CG1 4.27Å; K270-I308 PolarHBondContact N-O 2.75Å; V271-I308 VanDerWaalsContact CG1-O 3.28Å; V271-I308 WeakPolarHBondContact CG1-O 3.22Å; V271-I308 PolarHBondContact N-O 3.37Å; H306-I308 HydrophobicContact CB-CG2 4.2Å; I308-F314 CarbonylContact C-O 3.52Å; I308-F314 VanDerWaalsContact CA-O 3.29Å; I308-F314 WeakPolarHBondContact CA-O 3.27Å; I308-L316 HydrophobicContact CB-CD2 4.02Å; I308-L316 HydrophobicContact CD1-CD2 4.02Å; I308-L316 HydrophobicContact CG2-CD2 4.1Å; I308-L319 HydrophobicContact CD1-CD2 4.39Å; I308-L319 HydrophobicContact CG2-CB 4.42Å; I308-L319 HydrophobicContact CG2-CD2 4.37Å; I308-L346 HydrophobicContact CD1-CD1 3.92Å; I308-L346 HydrophobicContact CD1-CD2 3.93Å
309	S	92.3	Very high	88.8	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.007	18%	0.177	C	C	.	.			trans	-123.4	117.2	154.5	-179.8	0	0	0	0	109	D272 K311 T312 G313 F314	D272-S309 WeakPolarHBondContact OD1-CB 3.48Å; D272-S309 PolarHBondContact OD1-OG 3.39Å; S309-K311 PolarHBondContact O-N 3.15Å; S309-K311 PolarHBondContact OG-N 2.6Å; S309-T312 WeakPolarHBondContact CB-OG1 3.47Å; S309-T312 PolarHBondContact OG-N 3.09Å; S309-T312 PolarHBondContact OG-OG1 3.07Å; S309-G313 CarbonylContact O-C 3.56Å; S309-G313 WeakPolarHBondContact O-CA 3.4Å; S309-G313 PolarHBondContact O-N 3.05Å; S309-G313 VanDerWaalsContact O-N 3.07Å; S309-F314 PolarHBondContact N-O 3.04Å; S309-F314 PolarHBondContact O-N 3.37Å
310	A	87.4	Confident	89.2	Confident	8 Å²	8	25.6 Å²	25.6	7%	0.066	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.2	168.5	0	0	0	0	0	112.3	N269 T345 L346	N269-A310 PolarHBondContact OD1-N 2.87Å; A310-T345 HydrophobicContact CB-CG2 3.84Å; A310-L346 HydrophobicContact CB-CB 3.97Å
311	K	84.9	Confident	89.6	Confident	38 Å²	38	20.3 Å²	20.3	17%	0.165	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-44.8	-177.9	179.5	170.8	-178.7	-179.7	0	112.8	S309 P449 D450 T510	S309-K311 PolarHBondContact O-N 3.15Å; S309-K311 PolarHBondContact OG-N 2.6Å; K311-P449 HydrophobicContact CD-CB 4.39Å; K311-P449 HydrophobicContact CD-CG 4.38Å; K311-P449 HydrophobicContact CG-CB 3.93Å; K311-P449 HydrophobicContact CG-CG 3.9Å; K311-D450 IonicContact NZ-OD1 3.63Å; K311-D450 PolarHBondContact NZ-OD1 3.2Å; K311-D450 IonicContact NZ-OD2 2.62Å; K311-D450 PolarHBondContact NZ-OD2 2.91Å; K311-T510 PolarHBondContact NZ-O 2.85Å
312	T	84.3	Confident	89.8	Confident	5 Å²	5	19.7 Å²	19.7	3%	0.031	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	1.4	-175.3	73	0	0	0	0	113.9	D272 S309 F314 L421 L427 G429	D272-T312 HydrophobicContact CB-CG2 3.7Å; S309-T312 WeakPolarHBondContact CB-OG1 3.47Å; S309-T312 PolarHBondContact OG-N 3.09Å; S309-T312 PolarHBondContact OG-OG1 3.07Å; T312-F314 PolarHBondContact O-N 3Å; T312-L421 HydrophobicContact CG2-CD2 4.46Å; T312-L427 VanDerWaalsContact CB-O 3.29Å; T312-L427 WeakPolarHBondContact CB-O 3.45Å; T312-L427 PolarHBondContact OG1-O 3.09Å; T312-G429 PolarHBondContact O-N 3.32Å
313	G	84.4	Confident	89.9	Confident	9 Å²	9	17.9 Å²	17.9	9%	0.093	12%	0.122	C	C	.	.			trans	74.8	1.5	-178.2	0	0	0	0	0	115	S309 G315 L316	S309-G313 CarbonylContact O-C 3.56Å; S309-G313 WeakPolarHBondContact O-CA 3.4Å; S309-G313 PolarHBondContact O-N 3.05Å; S309-G313 VanDerWaalsContact O-N 3.07Å; G313-G315 PolarHBondContact O-N 3.39Å; G313-L316 PolarHBondContact O-N 3.11Å
314	F	89.9	Confident	89.8	Confident	13 Å²	13	15.9 Å²	15.9	6%	0.057	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	136.8	-179.8	-177.9	-88.1	0	0	0	111.7	V271 L282 I308 S309 T312 L316 L427 H676	V271-F314 HydrophobicContact CG1-CD1 3.48Å; V271-F314 VanDerWaalsContact CG1-CD1 3.48Å; V271-F314 HydrophobicContact CG1-CE1 3.93Å; V271-F314 HydrophobicContact CG1-CG 4.27Å; L282-F314 HydrophobicContact CD1-CZ 4.29Å; I308-F314 CarbonylContact C-O 3.52Å; I308-F314 VanDerWaalsContact CA-O 3.29Å; I308-F314 WeakPolarHBondContact CA-O 3.27Å; S309-F314 PolarHBondContact N-O 3.04Å; S309-F314 PolarHBondContact O-N 3.37Å; T312-F314 PolarHBondContact O-N 3Å; F314-L316 PolarHBondContact O-N 3.36Å; F314-L427 HydrophobicContact CB-CB 4.35Å; F314-L427 HydrophobicContact CD1-CD1 4.29Å; F314-L427 HydrophobicContact CD2-CB 3.75Å; F314-L427 HydrophobicContact CD2-CD1 4.28Å; F314-L427 HydrophobicContact CD2-CD2 4.28Å; F314-L427 HydrophobicContact CD2-CG 4.34Å; F314-L427 HydrophobicContact CE1-CD1 4.04Å; F314-L427 HydrophobicContact CE2-CB 4.18Å; F314-L427 HydrophobicContact CE2-CD1 4Å; F314-L427 HydrophobicContact CE2-CD2 3.89Å; F314-L427 HydrophobicContact CE2-CG 4.26Å; F314-L427 HydrophobicContact CG-CB 3.98Å; F314-L427 HydrophobicContact CG-CD1 4.41Å; F314-L427 HydrophobicContact CZ-CD1 3.88Å; F314-L427 HydrophobicContact CZ-CD2 4.44Å; F314-H676 HydrophobicContact CD2-CB 3.89Å; F314-H676 HydrophobicContact CE2-CB 3.83Å; F314-H676 AromaticContact CE2-CD2 3.57Å; F314-H676 AromaticContact CE2-CG 3.68Å
315	G	89	Confident	89.6	Confident	26 Å²	26	21 Å²	21	27%	0.268	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	-16.4	177	0	0	0	0	0	116.2	G313 E317 G318 L319	G313-G315 PolarHBondContact O-N 3.39Å; G315-E317 PolarHBondContact O-N 2.87Å; G315-G318 WeakPolarHBondContact O-CA 3.34Å; G315-G318 PolarHBondContact O-N 3.49Å; G315-G318 VanDerWaalsContact O-N 3.08Å; G315-L319 PolarHBondContact O-N 3.12Å
316	L	90.4	Very high	89.1	Confident	3 Å²	3	23 Å²	23	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-64.6	-41.7	-170.8	-64.1	-174.5	0	0	0	114.2	I308 G313 F314 G318 L319 V320 L346 A349 V431	I308-L316 HydrophobicContact CB-CD2 4.02Å; I308-L316 HydrophobicContact CD1-CD2 4.02Å; I308-L316 HydrophobicContact CG2-CD2 4.1Å; G313-L316 PolarHBondContact O-N 3.11Å; F314-L316 PolarHBondContact O-N 3.36Å; L316-G318 PolarHBondContact O-N 3.44Å; L316-L319 HydrophobicContact CD2-CD2 4.23Å; L316-L319 WeakPolarHBondContact O-CB 3.48Å; L316-L319 PolarHBondContact O-N 3.03Å; L316-V320 WeakPolarHBondContact O-CG2 3.47Å; L316-V320 PolarHBondContact O-N 3.01Å; L316-L346 HydrophobicContact CD2-CD1 3.54Å; L316-A349 HydrophobicContact CD1-CB 3.54Å; L316-V431 HydrophobicContact CB-CG2 4.16Å; L316-V431 HydrophobicContact CD1-CG2 3.86Å
317	E	89.6	Confident	88.6	Confident	13 Å²	13	22.7 Å²	22.7	6%	0.061	13%	0.13	C	C	.	.	H	α-helix	trans	-60.8	-33.7	174.4	-70.5	-77	-166.5	0	0	112	G315 S321 R395 R398 L399 R430 G432	G315-E317 PolarHBondContact O-N 2.87Å; E317-S321 VanDerWaalsContact O-CB 3.23Å; E317-S321 WeakPolarHBondContact O-CB 3.46Å; E317-S321 PolarHBondContact O-N 2.92Å; E317-S321 VanDerWaalsContact O-N 3.07Å; E317-S321 PolarHBondContact O-OG 2.86Å; E317-R395 IonicContact OE2-CZ 3.09Å; E317-R395 IonicContact OE2-NE 2.73Å; E317-R395 PolarHBondContact OE2-NE 3.33Å; E317-R395 IonicContact OE2-NH2 3.53Å; E317-R395 PolarHBondContact OE2-NH2 3.08Å; E317-R398 VanDerWaalsContact CD-NH2 3.35Å; E317-R398 IonicContact OE1-CZ 2.96Å; E317-R398 VanDerWaalsContact OE1-CZ 3.26Å; E317-R398 IonicContact OE1-NH1 3.32Å; E317-R398 PolarHBondContact OE1-NH1 2.9Å; E317-R398 IonicContact OE1-NH2 2.81Å; E317-R398 PolarHBondContact OE1-NH2 3.18Å; E317-R398 IonicContact OE2-NH2 2.78Å; E317-R398 PolarHBondContact OE2-NH2 3.43Å; E317-R398 VanDerWaalsContact OE2-NH2 3.15Å; E317-L399 HydrophobicContact CB-CD2 4.03Å; E317-L399 HydrophobicContact CG-CD2 4.04Å; E317-R430 VanDerWaalsContact CG-O 3.26Å; E317-R430 WeakPolarHBondContact CG-O 3.3Å; E317-G432 PolarHBondContact OE1-N 3.01Å
318	G	89.5	Confident	87.8	Confident	41 Å²	41	24.3 Å²	24.3	42%	0.423	14%	0.143	S	C	.	.	H	α-helix	trans	-70.4	-44.4	174.1	0	0	0	0	0	112.5	G315 L316 S321 A322	G315-G318 WeakPolarHBondContact O-CA 3.34Å; G315-G318 PolarHBondContact O-N 3.49Å; G315-G318 VanDerWaalsContact O-N 3.08Å; L316-G318 PolarHBondContact O-N 3.44Å; G318-S321 PolarHBondContact O-N 2.86Å; G318-A322 PolarHBondContact O-N 3.31Å
319	L	91.5	Very high	87.2	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-56.5	-55.3	173.3	167.8	59.9	0	0	0	111.1	V265 L267 H306 I308 G315 L316 S321 A322 L323 L346	V265-L319 HydrophobicContact CG1-CD1 4.49Å; L267-L319 HydrophobicContact CD1-CD1 4.47Å; L267-L319 HydrophobicContact CD1-CD2 3.9Å; L267-L319 HydrophobicContact CD2-CD1 3.49Å; L267-L319 VanDerWaalsContact CD2-CD1 3.49Å; L267-L319 HydrophobicContact CD2-CD2 3.95Å; L267-L319 HydrophobicContact CD2-CG 4.34Å; H306-L319 VanDerWaalsContact CD2-CD1 3.48Å; H306-L319 WeakPolarHBondContact CD2-CD1 3.28Å; I308-L319 HydrophobicContact CD1-CD2 4.39Å; I308-L319 HydrophobicContact CG2-CB 4.42Å; I308-L319 HydrophobicContact CG2-CD2 4.37Å; G315-L319 PolarHBondContact O-N 3.12Å; L316-L319 HydrophobicContact CD2-CD2 4.23Å; L316-L319 WeakPolarHBondContact O-CB 3.48Å; L316-L319 PolarHBondContact O-N 3.03Å; L319-S321 VanDerWaalsContact C-N 3.25Å; L319-S321 PolarHBondContact O-N 3.28Å; L319-A322 WeakPolarHBondContact O-CA 3.38Å; L319-A322 WeakPolarHBondContact O-CB 3.19Å; L319-A322 PolarHBondContact O-N 2.87Å; L319-L323 HydrophobicContact CD1-CD1 3.98Å; L319-L323 HydrophobicContact CD1-CD2 4.17Å; L319-L323 HydrophobicContact CD1-CG 3.88Å; L319-L323 HydrophobicContact CG-CD1 4.12Å; L319-L323 HydrophobicContact CG-CG 4.38Å; L319-L323 WeakPolarHBondContact O-CG 3.44Å; L319-L323 PolarHBondContact O-N 2.96Å; L319-L346 HydrophobicContact CD2-CD1 4.49Å
320	V	90.6	Very high	86.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.3	-35.2	-177.8	-174.3	0	0	0	0	110.9	L316 A322 L323 Q324 L350 Y355	L316-V320 WeakPolarHBondContact O-CG2 3.47Å; L316-V320 PolarHBondContact O-N 3.01Å; V320-A322 VanDerWaalsContact C-N 3.27Å; V320-A322 PolarHBondContact O-N 2.79Å; V320-L323 PolarHBondContact O-N 2.81Å; V320-Q324 HydrophobicContact CG1-CG 4.26Å; V320-Q324 WeakPolarHBondContact O-CB 3.4Å; V320-Q324 WeakPolarHBondContact O-CG 3.45Å; V320-Q324 PolarHBondContact O-N 2.78Å; V320-L350 HydrophobicContact CG2-CD2 3.6Å; V320-Y355 HydrophobicContact CG1-CD2 3.64Å; V320-Y355 HydrophobicContact CG1-CG 3.99Å
321	S	90.1	Very high	86.5	Confident	27 Å²	27	32.5 Å²	32.5	19%	0.189	18%	0.178	C	C	.	.	H	α-helix	trans	-64.3	-28.1	171.7	-61	0	0	0	0	113.1	E317 G318 L319 R325	E317-S321 VanDerWaalsContact O-CB 3.23Å; E317-S321 WeakPolarHBondContact O-CB 3.46Å; E317-S321 PolarHBondContact O-N 2.92Å; E317-S321 VanDerWaalsContact O-N 3.07Å; E317-S321 PolarHBondContact O-OG 2.86Å; G318-S321 PolarHBondContact O-N 2.86Å; L319-S321 VanDerWaalsContact C-N 3.25Å; L319-S321 PolarHBondContact O-N 3.28Å; S321-R325 WeakPolarHBondContact O-CG 3.46Å; S321-R325 PolarHBondContact O-NE 2.9Å; S321-R325 PolarHBondContact O-NH2 3.43Å
322	A	89.7	Confident	86.5	Confident	10 Å²	10	31.8 Å²	31.8	8%	0.083	18%	0.176	C	C	.	.	H	α-helix	trans	-75.1	-49.9	170.6	0	0	0	0	0	111.3	H306 G318 L319 V320 Q324 R325 S326	H306-A322 VanDerWaalsContact CE1-CB 3.49Å; H306-A322 WeakPolarHBondContact CE1-CB 3.37Å; H306-A322 WeakPolarHBondContact NE2-CB 3.43Å; G318-A322 PolarHBondContact O-N 3.31Å; L319-A322 WeakPolarHBondContact O-CA 3.38Å; L319-A322 WeakPolarHBondContact O-CB 3.19Å; L319-A322 PolarHBondContact O-N 2.87Å; V320-A322 VanDerWaalsContact C-N 3.27Å; V320-A322 PolarHBondContact O-N 2.79Å; A322-Q324 VanDerWaalsContact C-N 3.3Å; A322-Q324 PolarHBondContact O-N 2.83Å; A322-R325 WeakPolarHBondContact O-CA 3.2Å; A322-R325 PolarHBondContact O-N 3.37Å; A322-S326 PolarHBondContact O-N 2.74Å; A322-S326 PolarHBondContact O-OG 3.17Å; A322-S326 VanDerWaalsContact O-OG 3.1Å
323	L	89.3	Confident	86.8	Confident	3 Å²	3	31.5 Å²	31.5	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-56	-41.6	179.1	-62.4	179	0	0	0	112.8	L236 L238 L319 V320 R325 W327 S328 Y355	L236-L323 HydrophobicContact CD2-CD2 3.75Å; L238-L323 HydrophobicContact CD1-CD1 4.25Å; L238-L323 HydrophobicContact CD2-CD2 3.68Å; L319-L323 HydrophobicContact CD1-CD1 3.98Å; L319-L323 HydrophobicContact CD1-CD2 4.17Å; L319-L323 HydrophobicContact CD1-CG 3.88Å; L319-L323 HydrophobicContact CG-CD1 4.12Å; L319-L323 HydrophobicContact CG-CG 4.38Å; L319-L323 WeakPolarHBondContact O-CG 3.44Å; L319-L323 PolarHBondContact O-N 2.96Å; V320-L323 PolarHBondContact O-N 2.81Å; L323-R325 PolarHBondContact O-N 3.06Å; L323-W327 WeakPolarHBondContact O-CB 3.35Å; L323-W327 PolarHBondContact O-N 3.39Å; L323-W327 VanDerWaalsContact O-N 3.17Å; L323-S328 PolarHBondContact O-N 3.1Å; L323-Y355 HydrophobicContact CB-CE2 4.17Å; L323-Y355 HydrophobicContact CD1-CE2 4.3Å
324	Q	87.4	Confident	86.9	Confident	16 Å²	16	31.2 Å²	31.2	8%	0.075	17%	0.17	C	C	.	.	H	α-helix	trans	-69.6	-15.9	177	-72	-179.3	-28.5	0	0	113.7	V320 A322 D354 P387	V320-Q324 HydrophobicContact CG1-CG 4.26Å; V320-Q324 WeakPolarHBondContact O-CB 3.4Å; V320-Q324 WeakPolarHBondContact O-CG 3.45Å; V320-Q324 PolarHBondContact O-N 2.78Å; A322-Q324 VanDerWaalsContact C-N 3.3Å; A322-Q324 PolarHBondContact O-N 2.83Å; Q324-D354 PolarHBondContact NE2-O 3.24Å; Q324-P387 HydrophobicContact CB-CB 4.03Å; Q324-P387 HydrophobicContact CG-CB 4.03Å
325	R	85.9	Confident	86.8	Confident	170 Å²	170	30.6 Å²	30.6	64%	0.642	17%	0.168	S	C	*	.	H	α-helix	trans	-102.4	-34.4	177.9	-75.4	-178.3	-67.6	163.3	3.2	114.3	S321 A322 L323 S328 M392	S321-R325 WeakPolarHBondContact O-CG 3.46Å; S321-R325 PolarHBondContact O-NE 2.9Å; S321-R325 PolarHBondContact O-NH2 3.43Å; A322-R325 WeakPolarHBondContact O-CA 3.2Å; A322-R325 PolarHBondContact O-N 3.37Å; L323-R325 PolarHBondContact O-N 3.06Å; R325-S328 PolarHBondContact O-OG 3.12Å; R325-S328 VanDerWaalsContact O-OG 3.09Å; R325-M392 HydrophobicContact CG-CE 3.76Å
326	S	83	Confident	86.7	Confident	48 Å²	48	29.4 Å²	29.4	34%	0.336	16%	0.155	S	C	.	.	H	α-helix	trans	-88.2	-49	-177.9	58.6	0	0	0	0	112.1	A322 K330	A322-S326 PolarHBondContact O-N 2.74Å; A322-S326 PolarHBondContact O-OG 3.17Å; A322-S326 VanDerWaalsContact O-OG 3.1Å; S326-K330 PolarHBondContact O-NZ 3.02Å
327	W	83.1	Confident	86.5	Confident	23 Å²	23	29.2 Å²	29.2	9%	0.087	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-30.5	-176.5	-169.4	-120.6	0	0	0	112.9	L236 L323 Y329 K330 G331	L236-W327 HydrophobicContact CB-CD2 3.76Å; L236-W327 HydrophobicContact CB-CE3 4.02Å; L236-W327 HydrophobicContact CB-CG 4.2Å; L236-W327 HydrophobicContact CB-CH2 4.35Å; L236-W327 HydrophobicContact CB-CZ2 4.11Å; L236-W327 HydrophobicContact CB-CZ3 4.3Å; L236-W327 HydrophobicContact CD1-CD2 4.29Å; L236-W327 HydrophobicContact CD1-CE3 3.92Å; L236-W327 HydrophobicContact CD1-CZ3 4.42Å; L236-W327 HydrophobicContact CD2-CB 4.05Å; L236-W327 HydrophobicContact CD2-CD2 4.36Å; L236-W327 HydrophobicContact CD2-CG 4.02Å; L236-W327 HydrophobicContact CG-CD2 4.37Å; L236-W327 HydrophobicContact CG-CE3 4.46Å; L323-W327 WeakPolarHBondContact O-CB 3.35Å; L323-W327 PolarHBondContact O-N 3.39Å; L323-W327 VanDerWaalsContact O-N 3.17Å; W327-Y329 PolarHBondContact O-N 3.05Å; W327-K330 HydrophobicContact CD2-CB 4.09Å; W327-K330 HydrophobicContact CE3-CB 4.23Å; W327-K330 HydrophobicContact CE3-CD 4.35Å; W327-K330 HydrophobicContact CH2-CB 4.17Å; W327-K330 HydrophobicContact CZ2-CB 4.02Å; W327-K330 HydrophobicContact CZ3-CB 4.27Å; W327-K330 VanDerWaalsContact O-CB 3.3Å; W327-K330 WeakPolarHBondContact O-CB 3.19Å; W327-K330 WeakPolarHBondContact O-CD 3.31Å; W327-K330 WeakPolarHBondContact O-CG 3.42Å; W327-K330 PolarHBondContact O-N 3.3Å; W327-G331 PolarHBondContact NE1-O 3.41Å
328	S	77.9	Confident	86	Confident	56 Å²	56	28.8 Å²	28.8	39%	0.392	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	41	168.4	-46.8	0	0	0	0	115	L323 R325 K330	L323-S328 PolarHBondContact O-N 3.1Å; R325-S328 PolarHBondContact O-OG 3.12Å; R325-S328 VanDerWaalsContact O-OG 3.09Å; S328-K330 PolarHBondContact O-N 3.06Å
329	Y	80.6	Confident	85.4	Confident	50 Å²	50	27.8 Å²	27.8	20%	0.196	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	32.1	-179.6	-140.2	-105.1	0	0	0	115.9	W327 G331 I384 N386 H481	W327-Y329 PolarHBondContact O-N 3.05Å; Y329-G331 VanDerWaalsContact C-N 3.28Å; Y329-G331 PolarHBondContact O-N 2.87Å; Y329-I384 HydrophobicContact CD2-CG2 4.13Å; Y329-I384 HydrophobicContact CE2-CB 3.83Å; Y329-I384 HydrophobicContact CE2-CG2 3.84Å; Y329-I384 VanDerWaalsContact CE2-O 3.25Å; Y329-I384 WeakPolarHBondContact CE2-O 3.38Å; Y329-I384 PolarHBondContact OH-O 3.5Å; Y329-N386 HydrophobicContact CD1-CB 4.46Å; Y329-N386 HydrophobicContact CD2-CB 4.23Å; Y329-N386 HydrophobicContact CE1-CB 4.4Å; Y329-N386 HydrophobicContact CE2-CB 4.15Å; Y329-N386 HydrophobicContact CG-CB 4.38Å; Y329-H481 AromaticContact CD1-CD2 3.41Å; Y329-H481 VanDerWaalsContact CD1-CD2 3.41Å; Y329-H481 WeakPolarHBondContact CD1-CD2 3.41Å; Y329-H481 HydrophobicContact CE1-CB 4.12Å; Y329-H481 AromaticContact CE1-CD2 3.5Å; Y329-H481 AromaticContact CE1-CG 3.95Å; Y329-H481 HydrophobicContact CE2-CB 4.25Å; Y329-H481 AromaticContact CG-CD2 3.99Å; Y329-H481 PolarHBondContact O-CD2 3.43Å; Y329-H481 PolarHBondContact O-NE2 3.36Å; Y329-H481 PolarHBondContact OH-N 3.42Å; Y329-H481 VanDerWaalsContact OH-N 3.11Å
330	K	80.6	Confident	84.7	Confident	126 Å²	126	32.1 Å²	32.1	55%	0.548	16%	0.164	S	C	.	.			trans	-75.2	-3	179.5	-70.1	161.6	-166.3	163.4	0	115.8	S326 W327 S328	S326-K330 PolarHBondContact O-NZ 3.02Å; W327-K330 HydrophobicContact CD2-CB 4.09Å; W327-K330 HydrophobicContact CE3-CB 4.23Å; W327-K330 HydrophobicContact CE3-CD 4.35Å; W327-K330 HydrophobicContact CH2-CB 4.17Å; W327-K330 HydrophobicContact CZ2-CB 4.02Å; W327-K330 HydrophobicContact CZ3-CB 4.27Å; W327-K330 VanDerWaalsContact O-CB 3.3Å; W327-K330 WeakPolarHBondContact O-CB 3.19Å; W327-K330 WeakPolarHBondContact O-CD 3.31Å; W327-K330 WeakPolarHBondContact O-CG 3.42Å; W327-K330 PolarHBondContact O-N 3.3Å; S328-K330 PolarHBondContact O-N 3.06Å
331	G	84.5	Confident	84.3	Confident	6 Å²	6	32.3 Å²	32.3	6%	0.062	17%	0.165	C	C	.	.	S	Bend	trans	156.6	-170.7	-178.9	0	0	0	0	0	114	W327 Y329 H481	W327-G331 PolarHBondContact NE1-O 3.41Å; Y329-G331 VanDerWaalsContact C-N 3.28Å; Y329-G331 PolarHBondContact O-N 2.87Å; G331-H481 VanDerWaalsContact CA-CD2 3.49Å; G331-H481 WeakPolarHBondContact CA-CD2 3.47Å; G331-H481 PolarHBondContact N-CD2 2.89Å
332	D	85.9	Confident	83.8	Confident	22 Å²	22	31.7 Å²	31.7	12%	0.118	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	161.8	175.9	-74.2	-18.1	0	0	0	112.9	R233 A235 L236 F334 W482 Y484	R233-D332 IonicContact CZ-OD2 3.85Å; R233-D332 IonicContact NH1-OD2 3.65Å; R233-D332 PolarHBondContact NH1-OD2 3.01Å; A235-D332 CarbonylContact C-O 3.53Å; A235-D332 WeakPolarHBondContact CA-O 3.41Å; A235-D332 HydrophobicContact CB-CB 4.19Å; A235-D332 WeakPolarHBondContact CB-O 3.43Å; L236-D332 PolarHBondContact N-O 3.24Å; D332-F334 HydrophobicContact CB-CE2 3.82Å; D332-F334 HydrophobicContact CB-CZ 4.45Å; D332-W482 WeakPolarHBondContact CA-O 3.16Å; D332-W482 PolarHBondContact OD1-N 3.22Å; D332-W482 VanDerWaalsContact OD1-N 3.08Å; D332-Y484 HydrophobicContact CB-CE2 3.99Å; D332-Y484 WeakPolarHBondContact OD2-CE2 3.31Å
333	V	89.4	Confident	83.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.2	178.1	-176.7	0	0	0	0	110.4	L236 L238 Y355 I384 W482 L483 Y484	L236-V333 HydrophobicContact CB-CG1 4.27Å; L236-V333 HydrophobicContact CB-CG2 4.05Å; L236-V333 HydrophobicContact CD2-CG1 4.23Å; L236-V333 HydrophobicContact CD2-CG2 4.36Å; L236-V333 WeakPolarHBondContact O-CA 3.36Å; L238-V333 HydrophobicContact CD1-CG1 3.65Å; L238-V333 HydrophobicContact CD2-CG1 4.3Å; L238-V333 HydrophobicContact CG-CG1 3.61Å; V333-Y355 WeakPolarHBondContact CG2-OH 3.26Å; V333-I384 HydrophobicContact CB-CD1 4.16Å; V333-I384 HydrophobicContact CG2-CD1 3.71Å; V333-W482 PolarHBondContact N-O 3.31Å; V333-L483 HydrophobicContact CB-CB 4.4Å; V333-L483 HydrophobicContact CB-CD1 4.37Å; V333-L483 HydrophobicContact CB-CG 4.35Å; V333-L483 HydrophobicContact CG1-CD1 3.99Å; V333-L483 HydrophobicContact CG1-CG 4.37Å; V333-L483 CarbonylContact O-C 3.57Å; V333-L483 VanDerWaalsContact O-CA 3.29Å; V333-L483 WeakPolarHBondContact O-CA 3.42Å; V333-Y484 PolarHBondContact O-N 2.99Å
334	F	87.9	Confident	83	Confident	3 Å²	3	34.6 Å²	34.6	1%	0.013	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.7	-179.5	-67.4	-96.6	0	0	0	110.9	V230 A235 L236 L238 D332 V336 L379 Y484 T486	V230-F334 HydrophobicContact CG1-CB 4.3Å; V230-F334 HydrophobicContact CG1-CD1 4.09Å; V230-F334 HydrophobicContact CG1-CD2 3.62Å; V230-F334 HydrophobicContact CG1-CE1 4.37Å; V230-F334 HydrophobicContact CG1-CE2 3.94Å; V230-F334 HydrophobicContact CG1-CG 3.72Å; V230-F334 HydrophobicContact CG1-CZ 4.32Å; V230-F334 HydrophobicContact CG2-CD1 3.61Å; V230-F334 HydrophobicContact CG2-CE1 3.77Å; V230-F334 HydrophobicContact CG2-CG 4.09Å; V230-F334 HydrophobicContact CG2-CZ 4.36Å; A235-F334 HydrophobicContact CB-CD2 3.66Å; A235-F334 HydrophobicContact CB-CE2 3.61Å; L236-F334 PolarHBondContact O-N 3.15Å; L238-F334 PolarHBondContact N-O 2.68Å; D332-F334 HydrophobicContact CB-CE2 3.82Å; D332-F334 HydrophobicContact CB-CZ 4.45Å; F334-V336 HydrophobicContact CB-CG2 4.3Å; F334-L379 HydrophobicContact CD1-CD1 4.41Å; F334-L379 HydrophobicContact CE1-CD1 4.02Å; F334-Y484 AromaticContact CD1-CD2 3.97Å; F334-Y484 HydrophobicContact CD1-CD2 3.97Å; F334-Y484 HydrophobicContact CD1-CG 4.07Å; F334-Y484 HydrophobicContact CD2-CD2 4.46Å; F334-Y484 HydrophobicContact CE1-CD1 4.4Å; F334-Y484 AromaticContact CE1-CD2 3.42Å; F334-Y484 HydrophobicContact CE1-CD2 3.42Å; F334-Y484 VanDerWaalsContact CE1-CD2 3.42Å; F334-Y484 HydrophobicContact CE1-CE2 4.06Å; F334-Y484 AromaticContact CE1-CG 3.63Å; F334-Y484 HydrophobicContact CE1-CG 3.63Å; F334-Y484 AromaticContact CE2-CD2 3.97Å; F334-Y484 HydrophobicContact CE2-CD2 3.97Å; F334-Y484 HydrophobicContact CE2-CE2 4.26Å; F334-Y484 HydrophobicContact CG-CD2 4.45Å; F334-Y484 AromaticContact CZ-CD2 3.4Å; F334-Y484 HydrophobicContact CZ-CD2 3.4Å; F334-Y484 VanDerWaalsContact CZ-CD2 3.4Å; F334-Y484 AromaticContact CZ-CE2 3.65Å; F334-Y484 HydrophobicContact CZ-CE2 3.65Å; F334-Y484 HydrophobicContact CZ-CG 4.1Å; F334-T486 HydrophobicContact CD1-CG2 4.38Å
335	L	87.7	Confident	82.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.9	165.2	-68.6	165.7	0	0	0	108.6	L238 V240 L346 F347 L483 Y484 D485 T486	L238-L335 HydrophobicContact CB-CD2 3.94Å; L238-L335 HydrophobicContact CD1-CD2 3.95Å; V240-L335 HydrophobicContact CG2-CD2 4.05Å; L335-L346 HydrophobicContact CD2-CD2 3.72Å; L335-L346 HydrophobicContact CD2-CG 4.25Å; L335-F347 HydrophobicContact CD1-CB 3.88Å; L335-F347 HydrophobicContact CD1-CD2 4.06Å; L335-F347 HydrophobicContact CD1-CG 4.49Å; L335-L483 HydrophobicContact CD1-CD2 3.72Å; L335-L483 HydrophobicContact CG-CD1 4.46Å; L335-L483 HydrophobicContact CG-CD2 4.02Å; L335-Y484 PolarHBondContact N-O 3.49Å; L335-D485 HydrophobicContact CD1-CB 4.33Å; L335-T486 WeakPolarHBondContact O-CG2 3.5Å; L335-T486 PolarHBondContact O-N 3.5Å; L335-T486 PolarHBondContact O-OG1 3.45Å
336	V	86.8	Confident	82.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.5	179.2	179	0	0	0	0	108.8	V237 L238 L239 V240 L254 F334 T486	V237-V336 HydrophobicContact CG1-CB 3.93Å; V237-V336 HydrophobicContact CG1-CG2 3.81Å; L238-V336 PolarHBondContact O-N 3.16Å; L239-V336 CarbonylContact C-O 3.57Å; L239-V336 WeakPolarHBondContact CA-O 3.4Å; V240-V336 PolarHBondContact N-O 3.08Å; L254-V336 HydrophobicContact CD1-CG1 4.04Å; F334-V336 HydrophobicContact CB-CG2 4.3Å; V336-T486 HydrophobicContact CG2-CG2 4.27Å
337	G	85.4	Confident	82.9	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.1	178.1	179.7	0	0	0	0	0	111.7	I489	G337-I489 WeakPolarHBondContact O-CG1 3.4Å; G337-I489 PolarHBondContact O-N 2.58Å
338	G	78.9	Confident	82.8	Confident	4 Å²	4	28.2 Å²	28.2	4%	0.041	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-61.5	176.1	-175.7	0	0	0	0	0	115.1	K343 G488 I489	G338-K343 PolarHBondContact O-NZ 3.44Å; G338-G488 WeakPolarHBondContact O-CA 3.17Å; G338-I489 CarbonylContact C-O 3.58Å; G338-I489 VanDerWaalsContact CA-O 3.29Å; G338-I489 WeakPolarHBondContact CA-O 3.29Å
339	A	77.7	Confident	83.2	Confident	20 Å²	20	26.1 Å²	26.1	17%	0.165	15%	0.147	C	C	.	.	S	Bend	trans	-61	154.6	153.1	0	0	0	0	0	110	V341 I489 L490	A339-V341 PolarHBondContact O-N 2.78Å; A339-I489 PolarHBondContact N-O 3.32Å; A339-L490 HydrophobicContact CB-CD2 4.04Å
340	N	75.9	Confident	83.4	Confident	90 Å²	90	23.8 Å²	23.8	48%	0.481	14%	0.137	S	C	.	.	S	Bend	trans	58.2	-1.1	171.1	-56.1	-12.7	0	0	0	118.2	K270 G342 L496	K270-N340 WeakPolarHBondContact CE-O 3.48Å; K270-N340 PolarHBondContact NZ-O 2.93Å; N340-G342 PolarHBondContact O-N 3.1Å; N340-L496 HydrophobicContact CB-CD1 4.44Å; N340-L496 WeakPolarHBondContact ND2-CD1 3.36Å
341	V	83.3	Confident	83.5	Confident	5 Å²	5	17.9 Å²	17.9	3%	0.03	11%	0.112	C	C	.	.	S	Bend	trans	-70	-7.8	173	-52	0	0	0	0	114	V240 D242 S249 N269 A339 K343	V240-V341 HydrophobicContact CB-CG2 3.96Å; V240-V341 HydrophobicContact CG1-CB 4.28Å; V240-V341 HydrophobicContact CG1-CG2 3.79Å; D242-V341 HydrophobicContact CB-CB 4.47Å; D242-V341 HydrophobicContact CB-CG1 4.24Å; S249-V341 VanDerWaalsContact OG-CG1 3.32Å; S249-V341 WeakPolarHBondContact OG-CG1 3.37Å; N269-V341 PolarHBondContact ND2-O 2.79Å; A339-V341 PolarHBondContact O-N 2.78Å; V341-K343 HydrophobicContact CG2-CD 4.37Å; V341-K343 HydrophobicContact CG2-CG 3.6Å
342	G	79.1	Confident	83.1	Confident	13 Å²	13	19.9 Å²	19.9	13%	0.134	12%	0.12	C	C	.	.			trans	88.5	28.4	176.8	0	0	0	0	0	116.3	N340 T345 L346	N340-G342 PolarHBondContact O-N 3.1Å; G342-T345 WeakPolarHBondContact O-CB 3.38Å; G342-T345 PolarHBondContact O-N 3.22Å; G342-L346 PolarHBondContact O-N 2.82Å
343	K	83.4	Confident	83	Confident	13 Å²	13	19 Å²	19	6%	0.057	12%	0.115	C	C	.	.	H	α-helix	trans	-57.3	-49.6	178.6	-56.3	-167.6	-51.7	-54.7	0	113.1	V240 G338 V341 T345 L346 F347 D485 T486 P487	V240-K343 HydrophobicContact CB-CG 4Å; V240-K343 HydrophobicContact CG1-CG 4.45Å; V240-K343 HydrophobicContact CG2-CG 4.07Å; G338-K343 PolarHBondContact O-NZ 3.44Å; V341-K343 HydrophobicContact CG2-CD 4.37Å; V341-K343 HydrophobicContact CG2-CG 3.6Å; K343-T345 VanDerWaalsContact C-N 3.31Å; K343-T345 PolarHBondContact O-N 2.66Å; K343-L346 CarbonylContact O-C 3.47Å; K343-L346 WeakPolarHBondContact O-CA 3.34Å; K343-L346 VanDerWaalsContact O-CB 3.32Å; K343-L346 WeakPolarHBondContact O-CB 3.23Å; K343-L346 PolarHBondContact O-N 2.94Å; K343-F347 PolarHBondContact O-N 3.14Å; K343-D485 WeakPolarHBondContact CB-OD1 3.42Å; K343-T486 WeakPolarHBondContact CE-O 3.48Å; K343-P487 WeakPolarHBondContact CE-O 3.4Å; K343-P487 PolarHBondContact NZ-O 3.05Å
344	S	78.4	Confident	82.6	Confident	61 Å²	61	19.6 Å²	19.6	43%	0.427	12%	0.118	S	C	.	.	H	α-helix	trans	-72.6	-27.1	-177.3	-42.9	0	0	0	0	112	L346 F347 N348 D485	S344-L346 VanDerWaalsContact C-N 3.34Å; S344-F347 PolarHBondContact O-N 3.08Å; S344-N348 WeakPolarHBondContact O-CB 3.45Å; S344-N348 VanDerWaalsContact O-CG 3.32Å; S344-N348 PolarHBondContact O-N 2.89Å; S344-N348 PolarHBondContact O-ND2 3.05Å; S344-D485 WeakPolarHBondContact CB-OD2 3.39Å; S344-D485 PolarHBondContact OG-OD2 2.94Å
345	T	82.6	Confident	82.4	Confident	59 Å²	59	19.8 Å²	19.8	36%	0.362	12%	0.119	S	C	.	.	H	α-helix	trans	-60.9	-43.4	165.1	-35.7	0	0	0	0	111.1	A310 G342 K343 N348 A349	A310-T345 HydrophobicContact CB-CG2 3.84Å; G342-T345 WeakPolarHBondContact O-CB 3.38Å; G342-T345 PolarHBondContact O-N 3.22Å; K343-T345 VanDerWaalsContact C-N 3.31Å; K343-T345 PolarHBondContact O-N 2.66Å; T345-N348 PolarHBondContact O-N 2.82Å; T345-A349 WeakPolarHBondContact O-CB 3.12Å; T345-A349 PolarHBondContact O-N 2.8Å
346	L	87.1	Confident	82.1	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.9	-39.4	176.3	176.9	60.5	0	0	0	112.1	V240 L267 I308 A310 L316 L319 L335 G342 K343 S344 N348 A349 L350	V240-L346 HydrophobicContact CG2-CD2 3.81Å; L267-L346 HydrophobicContact CD1-CD2 3.62Å; I308-L346 HydrophobicContact CD1-CD1 3.92Å; I308-L346 HydrophobicContact CD1-CD2 3.93Å; A310-L346 HydrophobicContact CB-CB 3.97Å; L316-L346 HydrophobicContact CD2-CD1 3.54Å; L319-L346 HydrophobicContact CD2-CD1 4.49Å; L335-L346 HydrophobicContact CD2-CD2 3.72Å; L335-L346 HydrophobicContact CD2-CG 4.25Å; G342-L346 PolarHBondContact O-N 2.82Å; K343-L346 CarbonylContact O-C 3.47Å; K343-L346 WeakPolarHBondContact O-CA 3.34Å; K343-L346 VanDerWaalsContact O-CB 3.32Å; K343-L346 WeakPolarHBondContact O-CB 3.23Å; K343-L346 PolarHBondContact O-N 2.94Å; S344-L346 VanDerWaalsContact C-N 3.34Å; L346-N348 PolarHBondContact O-N 3.43Å; L346-A349 PolarHBondContact O-N 3.5Å; L346-L350 HydrophobicContact CD1-CD1 4.09Å; L346-L350 HydrophobicContact CD1-CG 4.02Å; L346-L350 HydrophobicContact CG-CD1 4.01Å; L346-L350 HydrophobicContact CG-CG 4.38Å; L346-L350 WeakPolarHBondContact O-CB 3.1Å; L346-L350 VanDerWaalsContact O-CG 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.48Å; L346-L350 PolarHBondContact O-N 3.08Å
347	F	85.3	Confident	81.5	Confident	2 Å²	2	24 Å²	24	1%	0.009	14%	0.136	C	C	.	.	H	α-helix	trans	-56.2	-49.4	172.7	-176.8	-93.4	0	0	0	110.7	L335 K343 S344 L350 L351 T368 L380 F382 L483 D485	L335-F347 HydrophobicContact CD1-CB 3.88Å; L335-F347 HydrophobicContact CD1-CD2 4.06Å; L335-F347 HydrophobicContact CD1-CG 4.49Å; K343-F347 PolarHBondContact O-N 3.14Å; S344-F347 PolarHBondContact O-N 3.08Å; F347-L350 PolarHBondContact O-N 3.14Å; F347-L351 HydrophobicContact CD1-CD1 3.91Å; F347-L351 HydrophobicContact CD1-CG 4.4Å; F347-L351 HydrophobicContact CE1-CD1 3.71Å; F347-L351 HydrophobicContact CE1-CG 4.31Å; F347-L351 PolarHBondContact O-N 3.16Å; F347-T368 HydrophobicContact CE1-CG2 4.4Å; F347-L380 HydrophobicContact CE1-CB 4.44Å; F347-L380 HydrophobicContact CE2-CB 4.46Å; F347-L380 HydrophobicContact CZ-CB 4Å; F347-F382 AromaticContact CD2-CD1 3.93Å; F347-F382 HydrophobicContact CD2-CD1 3.93Å; F347-F382 AromaticContact CD2-CE1 3.85Å; F347-F382 HydrophobicContact CD2-CE1 3.85Å; F347-F382 HydrophobicContact CE1-CD1 4.26Å; F347-F382 AromaticContact CE2-CD1 3.49Å; F347-F382 HydrophobicContact CE2-CD1 3.49Å; F347-F382 VanDerWaalsContact CE2-CD1 3.49Å; F347-F382 AromaticContact CE2-CE1 3.89Å; F347-F382 HydrophobicContact CE2-CE1 3.89Å; F347-F382 HydrophobicContact CG-CD1 4.5Å; F347-F382 HydrophobicContact CG-CE1 4.35Å; F347-F382 AromaticContact CZ-CD1 3.68Å; F347-F382 HydrophobicContact CZ-CD1 3.68Å; F347-F382 HydrophobicContact CZ-CE1 4.41Å; F347-L483 HydrophobicContact CD2-CD2 3.56Å; F347-L483 HydrophobicContact CE2-CD2 3.85Å; F347-D485 HydrophobicContact CD2-CB 3.77Å; F347-D485 HydrophobicContact CE2-CB 4.14Å; F347-D485 HydrophobicContact CG-CB 4.28Å
348	N	81.4	Confident	80.5	Confident	62 Å²	62	25.5 Å²	25.5	33%	0.332	15%	0.146	S	C	.	.	H	α-helix	trans	-64	-41.5	176.6	-70.2	-14.8	0	0	0	112.5	S344 T345 L346 L350 L351 E352	S344-N348 WeakPolarHBondContact O-CB 3.45Å; S344-N348 VanDerWaalsContact O-CG 3.32Å; S344-N348 PolarHBondContact O-N 2.89Å; S344-N348 PolarHBondContact O-ND2 3.05Å; T345-N348 PolarHBondContact O-N 2.82Å; L346-N348 PolarHBondContact O-N 3.43Å; N348-L350 VanDerWaalsContact C-N 3.29Å; N348-L350 PolarHBondContact O-N 3.14Å; N348-L351 WeakPolarHBondContact O-CB 3.36Å; N348-L351 PolarHBondContact O-N 3.44Å; N348-E352 WeakPolarHBondContact O-CG 3.46Å; N348-E352 PolarHBondContact O-N 3.4Å
349	A	84.5	Confident	79.3	Confident	13 Å²	13	27.2 Å²	27.2	11%	0.107	16%	0.159	C	C	.	.	H	α-helix	trans	-67.1	-28.6	175.4	0	0	0	0	0	113	L316 T345 L346 E352 S353	L316-A349 HydrophobicContact CD1-CB 3.54Å; T345-A349 WeakPolarHBondContact O-CB 3.12Å; T345-A349 PolarHBondContact O-N 2.8Å; L346-A349 PolarHBondContact O-N 3.5Å; A349-E352 PolarHBondContact O-N 3.49Å; A349-S353 PolarHBondContact O-N 2.96Å
350	L	85.7	Confident	78	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-77.1	-32.7	172.4	-70.6	171.1	0	0	0	112.4	V320 L346 F347 N348 E352 S353 Y355 F382 L483	V320-L350 HydrophobicContact CG2-CD2 3.6Å; L346-L350 HydrophobicContact CD1-CD1 4.09Å; L346-L350 HydrophobicContact CD1-CG 4.02Å; L346-L350 HydrophobicContact CG-CD1 4.01Å; L346-L350 HydrophobicContact CG-CG 4.38Å; L346-L350 WeakPolarHBondContact O-CB 3.1Å; L346-L350 VanDerWaalsContact O-CG 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.48Å; L346-L350 PolarHBondContact O-N 3.08Å; F347-L350 PolarHBondContact O-N 3.14Å; N348-L350 VanDerWaalsContact C-N 3.29Å; N348-L350 PolarHBondContact O-N 3.14Å; L350-E352 VanDerWaalsContact C-N 3.28Å; L350-E352 PolarHBondContact O-N 2.83Å; L350-S353 WeakPolarHBondContact O-CB 3.44Å; L350-S353 PolarHBondContact O-N 3.09Å; L350-S353 PolarHBondContact O-OG 3.23Å; L350-Y355 HydrophobicContact CD2-CD1 4.48Å; L350-F382 HydrophobicContact CB-CE1 4.16Å; L350-F382 HydrophobicContact CB-CZ 3.8Å; L350-L483 HydrophobicContact CD1-CD1 4.03Å
351	L	81.8	Confident	76.9	Confident	3 Å²	3	22.6 Å²	22.6	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-30.8	167.5	-75	175.4	0	0	0	112.7	F347 N348 S353 C356 F382	F347-L351 HydrophobicContact CD1-CD1 3.91Å; F347-L351 HydrophobicContact CD1-CG 4.4Å; F347-L351 HydrophobicContact CE1-CD1 3.71Å; F347-L351 HydrophobicContact CE1-CG 4.31Å; F347-L351 PolarHBondContact O-N 3.16Å; N348-L351 WeakPolarHBondContact O-CB 3.36Å; N348-L351 PolarHBondContact O-N 3.44Å; L351-S353 VanDerWaalsContact C-N 3.28Å; L351-C356 HydrophobicContact CD2-CB 4.44Å; L351-F382 HydrophobicContact CD2-CB 3.64Å; L351-F382 HydrophobicContact CD2-CD1 3.43Å; L351-F382 VanDerWaalsContact CD2-CD1 3.43Å; L351-F382 HydrophobicContact CD2-CD2 4.41Å; L351-F382 HydrophobicContact CD2-CE1 4.14Å; L351-F382 HydrophobicContact CD2-CG 3.61Å; L351-F382 HydrophobicContact CG-CD1 3.81Å; L351-F382 HydrophobicContact CG-CE1 4.15Å; L351-F382 HydrophobicContact CG-CG 4.47Å
352	E	76.9	Confident	75.2	Confident	48 Å²	48	26.3 Å²	26.3	22%	0.224	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.9	170.7	-59	-118.5	97.8	0	0	112.7	N348 A349 L350 R365 R417 V431 Q433	N348-E352 WeakPolarHBondContact O-CG 3.46Å; N348-E352 PolarHBondContact O-N 3.4Å; A349-E352 PolarHBondContact O-N 3.49Å; L350-E352 VanDerWaalsContact C-N 3.28Å; L350-E352 PolarHBondContact O-N 2.83Å; E352-R365 IonicContact OE1-CZ 3.23Å; E352-R365 IonicContact OE1-NH1 3.57Å; E352-R365 PolarHBondContact OE1-NH1 3.14Å; E352-R365 IonicContact OE1-NH2 3.15Å; E352-R365 PolarHBondContact OE1-NH2 3.08Å; E352-R417 IonicContact OE2-NH2 3.92Å; E352-R417 PolarHBondContact OE2-NH2 3.02Å; E352-V431 HydrophobicContact CB-CG1 4.34Å; E352-Q433 WeakPolarHBondContact O-CG 3.23Å; E352-Q433 PolarHBondContact O-NE2 3.03Å
353	S	83.3	Confident	73.6	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	-96.2	163.8	-168.6	82.5	0	0	0	0	115.2	A349 L350 L351 Y355 C356	A349-S353 PolarHBondContact O-N 2.96Å; L350-S353 WeakPolarHBondContact O-CB 3.44Å; L350-S353 PolarHBondContact O-N 3.09Å; L350-S353 PolarHBondContact O-OG 3.23Å; L351-S353 VanDerWaalsContact C-N 3.28Å; S353-Y355 PolarHBondContact O-N 3.35Å; S353-Y355 VanDerWaalsContact OG-CB 3.31Å; S353-Y355 WeakPolarHBondContact OG-CB 3.35Å; S353-Y355 PolarHBondContact OG-N 3.41Å; S353-Y355 VanDerWaalsContact OG-N 3.14Å; S353-C356 PolarHBondContact O-N 3.44Å; S353-C356 VanDerWaalsContact O-N 3.14Å
354	D	82.4	Confident	72.2	Confident	12 Å²	12	29.3 Å²	29.3	6%	0.064	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	1	165.8	-84.7	-37.5	0	0	0	116	Q324 R395 R398 Q433 T434	Q324-D354 PolarHBondContact NE2-O 3.24Å; D354-R395 IonicContact OD2-NE 2.6Å; D354-R398 IonicContact OD2-CZ 3.59Å; D354-R398 IonicContact OD2-NE 3.6Å; D354-R398 IonicContact OD2-NH2 3.29Å; D354-R398 PolarHBondContact OD2-NH2 3.19Å; D354-Q433 WeakPolarHBondContact OD1-CA 3.32Å; D354-T434 VanDerWaalsContact CG-N 3.3Å; D354-T434 WeakPolarHBondContact OD1-CB 3.27Å; D354-T434 PolarHBondContact OD1-N 3.42Å; D354-T434 WeakPolarHBondContact OD2-CB 3.31Å; D354-T434 PolarHBondContact OD2-N 2.94Å; D354-T434 VanDerWaalsContact OD2-N 3.12Å; D354-T434 PolarHBondContact OD2-OG1 3.27Å
355	Y	83.7	Confident	70.5	Confident	7 Å²	7	31 Å²	31	3%	0.027	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-33.8	171.8	-162	-120.2	0	0	0	113.1	V320 L323 V333 L350 S353 F382 I384 T385 L483	V320-Y355 HydrophobicContact CG1-CD2 3.64Å; V320-Y355 HydrophobicContact CG1-CG 3.99Å; L323-Y355 HydrophobicContact CB-CE2 4.17Å; L323-Y355 HydrophobicContact CD1-CE2 4.3Å; V333-Y355 WeakPolarHBondContact CG2-OH 3.26Å; L350-Y355 HydrophobicContact CD2-CD1 4.48Å; S353-Y355 PolarHBondContact O-N 3.35Å; S353-Y355 VanDerWaalsContact OG-CB 3.31Å; S353-Y355 WeakPolarHBondContact OG-CB 3.35Å; S353-Y355 PolarHBondContact OG-N 3.41Å; S353-Y355 VanDerWaalsContact OG-N 3.14Å; Y355-F382 AromaticContact CD1-CE2 3.79Å; Y355-F382 HydrophobicContact CD1-CE2 3.79Å; Y355-F382 AromaticContact CD1-CZ 3.92Å; Y355-F382 HydrophobicContact CD1-CZ 3.92Å; Y355-F382 HydrophobicContact CE1-CE2 4.26Å; Y355-F382 HydrophobicContact CE1-CZ 4.42Å; Y355-I384 HydrophobicContact CD2-CG2 4.16Å; Y355-I384 HydrophobicContact CE1-CD1 4.35Å; Y355-I384 HydrophobicContact CE1-CG1 3.94Å; Y355-I384 HydrophobicContact CE1-CG2 4.07Å; Y355-I384 HydrophobicContact CE2-CG2 3.64Å; Y355-T385 PolarHBondContact O-N 3.23Å; Y355-L483 HydrophobicContact CD1-CD1 4.39Å; Y355-L483 HydrophobicContact CE1-CB 4.37Å; Y355-L483 HydrophobicContact CE1-CD1 3.74Å
356	C	81.5	Confident	68.5	Low	4 Å²	4	37.7 Å²	37.7	3%	0.027	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-79.7	153.6	174.9	-171.9	0	0	0	0	110.7	L351 S353 S358 F382 T385	L351-C356 HydrophobicContact CD2-CB 4.44Å; S353-C356 PolarHBondContact O-N 3.44Å; S353-C356 VanDerWaalsContact O-N 3.14Å; C356-S358 PolarHBondContact O-N 3.34Å; C356-F382 HydrophobicContact CB-CD2 4.13Å; C356-F382 HydrophobicContact CB-CE2 4.19Å; C356-T385 PolarHBondContact O-OG1 3.04Å
357	R	73.8	Confident	65.9	Low	86 Å²	86	41.3 Å²	41.3	33%	0.325	23%	0.226	S	C	.	.			trans	-78.6	116.3	173.6	-171.2	171.3	176.5	165.8	-2.5	109.2	A359 A360 A361 P383 T385 D476	R357-A359 VanDerWaalsContact C-N 3.32Å; R357-A359 PolarHBondContact O-N 3.25Å; R357-A359 VanDerWaalsContact O-N 3.08Å; R357-A360 WeakPolarHBondContact O-CA 3.42Å; R357-A360 WeakPolarHBondContact O-CB 3.46Å; R357-A360 PolarHBondContact O-N 3.35Å; R357-A361 PolarHBondContact O-N 3.18Å; R357-P383 HydrophobicContact CB-CG 4.33Å; R357-P383 PolarHBondContact N-O 3.13Å; R357-T385 VanDerWaalsContact CA-OG1 3.25Å; R357-T385 WeakPolarHBondContact CA-OG1 3.41Å; R357-T385 PolarHBondContact N-OG1 3.43Å; R357-D476 IonicContact CZ-OD2 3.61Å; R357-D476 PolarHBondContact NH1-O 2.62Å; R357-D476 IonicContact NH1-OD2 3.57Å; R357-D476 IonicContact NH2-OD2 2.71Å; R357-D476 PolarHBondContact NH2-OD2 3.43Å
358	S	63.2	Low	63.6	Low	31 Å²	31	42 Å²	42	22%	0.217	23%	0.23	C	C	.	.	H	α-helix	trans	-48.8	-44	-165.3	-39.4	0	0	0	0	115.4	C356 A360 A361 F435	C356-S358 PolarHBondContact O-N 3.34Å; S358-A360 VanDerWaalsContact C-N 3.25Å; S358-A360 PolarHBondContact O-N 3.16Å; S358-A361 WeakPolarHBondContact O-CB 3.33Å; S358-A361 PolarHBondContact O-N 3.45Å; S358-A361 VanDerWaalsContact O-N 3.13Å; S358-F435 VanDerWaalsContact CB-O 3.25Å; S358-F435 WeakPolarHBondContact CB-O 3.47Å; S358-F435 PolarHBondContact OG-O 3.11Å
359	A	54.5	Low	61.4	Low	39 Å²	39	45.1 Å²	45.1	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-66.2	-22.7	178.7	0	0	0	0	0	114.1	R357	R357-A359 VanDerWaalsContact C-N 3.32Å; R357-A359 PolarHBondContact O-N 3.25Å; R357-A359 VanDerWaalsContact O-N 3.08Å
360	A	51.2	Low	58.8	Low	9 Å²	9	47 Å²	47	7%	0.074	26%	0.258	C	S	.	.	H	α-helix	trans	-84.5	-19.6	174.5	0	0	0	0	0	112.5	R357 S358 S362 A363 L364 P383	R357-A360 WeakPolarHBondContact O-CA 3.42Å; R357-A360 WeakPolarHBondContact O-CB 3.46Å; R357-A360 PolarHBondContact O-N 3.35Å; S358-A360 VanDerWaalsContact C-N 3.25Å; S358-A360 PolarHBondContact O-N 3.16Å; A360-S362 PolarHBondContact O-N 3.23Å; A360-A363 PolarHBondContact O-N 3.46Å; A360-L364 HydrophobicContact CB-CD1 3.99Å; A360-L364 HydrophobicContact CB-CG 4.48Å; A360-L364 WeakPolarHBondContact O-CB 3.17Å; A360-L364 VanDerWaalsContact O-CG 3.27Å; A360-L364 WeakPolarHBondContact O-CG 3.34Å; A360-L364 PolarHBondContact O-N 3.39Å; A360-P383 HydrophobicContact CB-CG 3.69Å
361	A	52.7	Low	56.2	Low	5 Å²	5	50 Å²	50	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-37.6	-173.9	0	0	0	0	0	113	R357 S358 R365	R357-A361 PolarHBondContact O-N 3.18Å; S358-A361 WeakPolarHBondContact O-CB 3.33Å; S358-A361 PolarHBondContact O-N 3.45Å; S358-A361 VanDerWaalsContact O-N 3.13Å; A361-R365 WeakPolarHBondContact O-CB 3.42Å; A361-R365 WeakPolarHBondContact O-CD 3.21Å; A361-R365 WeakPolarHBondContact O-CG 3.06Å; A361-R365 PolarHBondContact O-N 3.13Å; A361-R365 VanDerWaalsContact O-N 3.13Å
362	S	47.1	Very low	53.9	Low	83 Å²	83	54 Å²	54	58%	0.58	29%	0.292	S	S	*	.	H	α-helix	trans	-70.6	-47.2	175.3	49	0	0	0	0	112.2	A360 R366	A360-S362 PolarHBondContact O-N 3.23Å; S362-R366 PolarHBondContact O-N 3.38Å
363	A	45.5	Very low	51.6	Low	51 Å²	51	57.6 Å²	57.6	42%	0.421	32%	0.32	S	S	.	.	H	α-helix	trans	-64.4	-43.3	179.3	0	0	0	0	0	112.4	A360	A360-A363 PolarHBondContact O-N 3.46Å
364	L	52.8	Low	49.3	Very low	37 Å²	37	58.1 Å²	58.1	19%	0.194	33%	0.326	C	S	.	.	H	α-helix	trans	-72.5	-36.9	179.1	-69.2	172.1	0	0	0	112.4	A360 R366 A367 T368 F382	A360-L364 HydrophobicContact CB-CD1 3.99Å; A360-L364 HydrophobicContact CB-CG 4.48Å; A360-L364 WeakPolarHBondContact O-CB 3.17Å; A360-L364 VanDerWaalsContact O-CG 3.27Å; A360-L364 WeakPolarHBondContact O-CG 3.34Å; A360-L364 PolarHBondContact O-N 3.39Å; L364-R366 VanDerWaalsContact C-N 3.28Å; L364-R366 PolarHBondContact O-N 3.42Å; L364-A367 CarbonylContact O-C 3.6Å; L364-A367 WeakPolarHBondContact O-CA 3.23Å; L364-A367 PolarHBondContact O-N 2.89Å; L364-T368 WeakPolarHBondContact O-CG2 3.17Å; L364-T368 PolarHBondContact O-N 2.89Å; L364-T368 PolarHBondContact O-OG1 3.27Å; L364-T368 VanDerWaalsContact O-OG1 3.09Å; L364-F382 HydrophobicContact CD1-CB 3.56Å
365	R	43.2	Very low	47.2	Very low	97 Å²	97	60.1 Å²	60.1	37%	0.366	34%	0.339	S	S	.	.	H	α-helix	trans	-51.8	-46.9	173.6	-83.1	169.8	-163.8	-121.1	-1.5	111.8	E352 A361 A367 T368 I369	E352-R365 IonicContact OE1-CZ 3.23Å; E352-R365 IonicContact OE1-NH1 3.57Å; E352-R365 PolarHBondContact OE1-NH1 3.14Å; E352-R365 IonicContact OE1-NH2 3.15Å; E352-R365 PolarHBondContact OE1-NH2 3.08Å; A361-R365 WeakPolarHBondContact O-CB 3.42Å; A361-R365 WeakPolarHBondContact O-CD 3.21Å; A361-R365 WeakPolarHBondContact O-CG 3.06Å; A361-R365 PolarHBondContact O-N 3.13Å; A361-R365 VanDerWaalsContact O-N 3.13Å; R365-A367 PolarHBondContact O-N 3.31Å; R365-T368 PolarHBondContact O-N 2.82Å; R365-I369 VanDerWaalsContact O-CD1 3.24Å; R365-I369 WeakPolarHBondContact O-CD1 3.43Å; R365-I369 VanDerWaalsContact O-CG1 3.23Å; R365-I369 WeakPolarHBondContact O-CG1 3.35Å; R365-I369 PolarHBondContact O-N 2.94Å
366	R	40.1	Very low	45	Very low	200 Å²	200	62.7 Å²	62.7	76%	0.755	36%	0.355	S	S	*	.	H	α-helix	trans	-64.7	-22	176.5	-84.6	-178.9	162.4	169.2	-6.8	114.1	S362 L364	S362-R366 PolarHBondContact O-N 3.38Å; L364-R366 VanDerWaalsContact C-N 3.28Å; L364-R366 PolarHBondContact O-N 3.42Å
367	A	33.2	Very low	43.2	Very low	75 Å²	75	68.5 Å²	68.5	62%	0.62	39%	0.386	S	S	*	.	H	α-helix	trans	-99.6	-18.3	179.9	0	0	0	0	0	114.5	L364 R365	L364-A367 CarbonylContact O-C 3.6Å; L364-A367 WeakPolarHBondContact O-CA 3.23Å; L364-A367 PolarHBondContact O-N 2.89Å; R365-A367 PolarHBondContact O-N 3.31Å
368	T	36.9	Very low	42	Very low	17 Å²	17	70.4 Å²	70.4	10%	0.104	40%	0.398	C	S	.	.	H	α-helix	trans	-109.7	9.7	-175.5	66.8	0	0	0	0	114.1	F347 L364 R365 S370	F347-T368 HydrophobicContact CE1-CG2 4.4Å; L364-T368 WeakPolarHBondContact O-CG2 3.17Å; L364-T368 PolarHBondContact O-N 2.89Å; L364-T368 PolarHBondContact O-OG1 3.27Å; L364-T368 VanDerWaalsContact O-OG1 3.09Å; R365-T368 PolarHBondContact O-N 2.82Å; T368-S370 PolarHBondContact O-N 2.88Å
369	I	34.8	Very low	41.8	Very low	127 Å²	127	70.5 Å²	70.5	65%	0.651	40%	0.396	S	S	*	.			trans	-78.1	68.6	166.8	-62.2	155.8	0	0	0	108.6	R365	R365-I369 VanDerWaalsContact O-CD1 3.24Å; R365-I369 WeakPolarHBondContact O-CD1 3.43Å; R365-I369 VanDerWaalsContact O-CG1 3.23Å; R365-I369 WeakPolarHBondContact O-CG1 3.35Å; R365-I369 PolarHBondContact O-N 2.94Å
370	S	31.6	Very low	42.5	Very low	52 Å²	52	70.8 Å²	70.8	36%	0.364	39%	0.392	S	S	.	.			trans	-113.1	91.5	162.5	61.3	0	0	0	0	106.9	T368 W372	T368-S370 PolarHBondContact O-N 2.88Å; S370-W372 PolarHBondContact O-N 2.8Å
371	P	31.1	Very low	43.5	Very low	64 Å²	64	73.8 Å²	73.8	42%	0.416	40%	0.403	S	S	.	.			trans	-73.4	9.5	-163.5	26.9	-34.1	0	0	0	115.7
372	W	33.5	Very low	44.8	Very low	86 Å²	86	73.5 Å²	73.5	33%	0.326	40%	0.401	S	S	.	.	S	Bend	trans	-133.7	145.4	-169.1	-62	120.3	0	0	0	114.1	H211 A213 S370 G374	H211-W372 PolarHBondContact O-NE1 2.77Å; A213-W372 HydrophobicContact CB-CB 4.11Å; A213-W372 HydrophobicContact CB-CG 3.92Å; S370-W372 PolarHBondContact O-N 2.8Å; W372-G374 PolarHBondContact O-N 3.23Å; W372-G374 VanDerWaalsContact O-N 3.14Å
373	P	27.7	Very low	46.3	Very low	124 Å²	124	69.7 Å²	69.7	81%	0.805	38%	0.375	S	S	*	.	S	Bend	trans	-73.9	103.6	179.1	30.5	-33.6	0	0	0	110.9
374	G	35.1	Very low	48.2	Very low	15 Å²	15	67.6 Å²	67.6	16%	0.155	36%	0.356	C	S	.	.			trans	172.9	21.8	179.3	0	0	0	0	0	115	R203 W372	R203-G374 PolarHBondContact NH2-O 3.37Å; W372-G374 PolarHBondContact O-N 3.23Å; W372-G374 VanDerWaalsContact O-N 3.14Å
375	T	37.3	Very low	49.6	Very low	54 Å²	54	66.6 Å²	66.6	33%	0.331	35%	0.351	S	S	.	.			trans	-67.8	128.5	179.5	38.5	0	0	0	0	111	L377 L380	T375-L377 PolarHBondContact O-N 3.49Å; T375-L377 VanDerWaalsContact O-N 3.1Å; T375-L380 HydrophobicContact CG2-CD2 4.47Å
376	T	37.6	Very low	51.5	Low	60 Å²	60	65.6 Å²	65.6	37%	0.368	35%	0.353	S	S	.	.			trans	-74.7	99.7	-167.2	13	0	0	0	0	112.7	L216 E378	L216-T376 HydrophobicContact CD1-CG2 4.08Å; T376-E378 PolarHBondContact O-N 3.06Å
377	L	43.5	Very low	53.5	Low	127 Å²	127	56.9 Å²	56.9	67%	0.665	32%	0.323	S	S	*	.	S	Bend	trans	61.8	-19.5	162.4	-66.2	168.5	0	0	0	118.9	T375	T375-L377 PolarHBondContact O-N 3.49Å; T375-L377 VanDerWaalsContact O-N 3.1Å
378	E	48.6	Very low	56	Low	126 Å²	126	55.8 Å²	55.8	59%	0.589	31%	0.308	S	S	*	.	S	Bend	trans	-99.3	133.7	170.3	-171.8	164.4	-166.9	0	0	111.7	T376 K381	T376-E378 PolarHBondContact O-N 3.06Å; E378-K381 IonicContact OE1-NZ 3.35Å; E378-K381 PolarHBondContact OE1-NZ 3.13Å
379	L	59	Low	58.3	Low	32 Å²	32	60.2 Å²	60.2	17%	0.168	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-76.9	128.7	-177.6	-58.8	176.2	0	0	0	110.6	V226 F334 K381 Y484 T486	V226-L379 HydrophobicContact CG1-CD2 3.89Å; F334-L379 HydrophobicContact CD1-CD1 4.41Å; F334-L379 HydrophobicContact CE1-CD1 4.02Å; L379-K381 PolarHBondContact O-N 3.27Å; L379-Y484 HydrophobicContact CB-CD1 3.87Å; L379-Y484 HydrophobicContact CD1-CD1 4.25Å; L379-Y484 HydrophobicContact CD1-CG 4.47Å; L379-T486 HydrophobicContact CD2-CG2 4.48Å
380	L	69.8	Low	60.7	Low	46 Å²	46	60.3 Å²	60.3	24%	0.241	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-58	133.5	171.5	-66.9	179.1	0	0	0	109.6	F347 T375 Y484 D485	F347-L380 HydrophobicContact CE1-CB 4.44Å; F347-L380 HydrophobicContact CE2-CB 4.46Å; F347-L380 HydrophobicContact CZ-CB 4Å; T375-L380 HydrophobicContact CG2-CD2 4.47Å; L380-Y484 CarbonylContact O-C 3.58Å; L380-Y484 VanDerWaalsContact O-CA 3.3Å; L380-Y484 WeakPolarHBondContact O-CA 3.32Å; L380-D485 HydrophobicContact CB-CB 4.45Å; L380-D485 PolarHBondContact O-N 2.96Å
381	K	73.3	Confident	63.3	Low	71 Å²	71	62 Å²	62	31%	0.309	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	144.4	-169.1	67.1	-161.7	178.8	-164.4	0	113.5	E378 L379 W482 L483 Y484	E378-K381 IonicContact OE1-NZ 3.35Å; E378-K381 PolarHBondContact OE1-NZ 3.13Å; L379-K381 PolarHBondContact O-N 3.27Å; K381-W482 HydrophobicContact CB-CE3 4Å; K381-W482 HydrophobicContact CD-CE3 4.28Å; K381-W482 HydrophobicContact CG-CE3 3.75Å; K381-W482 HydrophobicContact CG-CZ3 4.08Å; K381-L483 CarbonylContact C-O 3.42Å; K381-L483 WeakPolarHBondContact CA-O 3.46Å; K381-Y484 HydrophobicContact CB-CD1 3.65Å; K381-Y484 HydrophobicContact CB-CE1 3.92Å; K381-Y484 HydrophobicContact CB-CG 4.33Å; K381-Y484 HydrophobicContact CD-CD1 4.3Å; K381-Y484 HydrophobicContact CD-CE1 3.83Å; K381-Y484 HydrophobicContact CG-CE1 4.49Å
382	F	78.7	Confident	65.9	Low	0 Å²	0	62 Å²	62	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.8	171.1	69.7	-111.5	0	0	0	112.5	F347 L350 L351 Y355 C356 L364 W482 L483	F347-F382 AromaticContact CD2-CD1 3.93Å; F347-F382 HydrophobicContact CD2-CD1 3.93Å; F347-F382 AromaticContact CD2-CE1 3.85Å; F347-F382 HydrophobicContact CD2-CE1 3.85Å; F347-F382 HydrophobicContact CE1-CD1 4.26Å; F347-F382 AromaticContact CE2-CD1 3.49Å; F347-F382 HydrophobicContact CE2-CD1 3.49Å; F347-F382 VanDerWaalsContact CE2-CD1 3.49Å; F347-F382 AromaticContact CE2-CE1 3.89Å; F347-F382 HydrophobicContact CE2-CE1 3.89Å; F347-F382 HydrophobicContact CG-CD1 4.5Å; F347-F382 HydrophobicContact CG-CE1 4.35Å; F347-F382 AromaticContact CZ-CD1 3.68Å; F347-F382 HydrophobicContact CZ-CD1 3.68Å; F347-F382 HydrophobicContact CZ-CE1 4.41Å; L350-F382 HydrophobicContact CB-CE1 4.16Å; L350-F382 HydrophobicContact CB-CZ 3.8Å; L351-F382 HydrophobicContact CD2-CB 3.64Å; L351-F382 HydrophobicContact CD2-CD1 3.43Å; L351-F382 VanDerWaalsContact CD2-CD1 3.43Å; L351-F382 HydrophobicContact CD2-CD2 4.41Å; L351-F382 HydrophobicContact CD2-CE1 4.14Å; L351-F382 HydrophobicContact CD2-CG 3.61Å; L351-F382 HydrophobicContact CG-CD1 3.81Å; L351-F382 HydrophobicContact CG-CE1 4.15Å; L351-F382 HydrophobicContact CG-CG 4.47Å; Y355-F382 AromaticContact CD1-CE2 3.79Å; Y355-F382 HydrophobicContact CD1-CE2 3.79Å; Y355-F382 AromaticContact CD1-CZ 3.92Å; Y355-F382 HydrophobicContact CD1-CZ 3.92Å; Y355-F382 HydrophobicContact CE1-CE2 4.26Å; Y355-F382 HydrophobicContact CE1-CZ 4.42Å; C356-F382 HydrophobicContact CB-CD2 4.13Å; C356-F382 HydrophobicContact CB-CE2 4.19Å; L364-F382 HydrophobicContact CD1-CB 3.56Å; F382-W482 VanDerWaalsContact C-CE3 3.45Å; F382-W482 WeakPolarHBondContact O-CA 3.43Å; F382-L483 HydrophobicContact CD1-CD2 4.25Å; F382-L483 HydrophobicContact CD2-CB 4.33Å; F382-L483 HydrophobicContact CE1-CB 4.2Å; F382-L483 HydrophobicContact CE1-CD2 3.64Å; F382-L483 HydrophobicContact CE1-CG 4.33Å; F382-L483 HydrophobicContact CE2-CB 3.9Å; F382-L483 HydrophobicContact CZ-CB 3.82Å; F382-L483 HydrophobicContact CZ-CD1 4.04Å; F382-L483 HydrophobicContact CZ-CD2 3.93Å; F382-L483 HydrophobicContact CZ-CG 4.14Å; F382-L483 PolarHBondContact N-O 3.49Å; F382-L483 PolarHBondContact O-N 3.48Å
383	P	79.7	Confident	68.4	Low	3 Å²	3	63.3 Å²	63.3	2%	0.019	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	128.4	-179.1	31.5	-33.7	0	0	0	110.7	R357 A360 L477 A480 W482	R357-P383 HydrophobicContact CB-CG 4.33Å; R357-P383 PolarHBondContact N-O 3.13Å; A360-P383 HydrophobicContact CB-CG 3.69Å; P383-L477 HydrophobicContact CB-CD1 4.08Å; P383-L477 HydrophobicContact CG-CD1 4.13Å; P383-A480 HydrophobicContact CB-CB 4.24Å; P383-W482 HydrophobicContact CB-CE3 4.38Å; P383-W482 HydrophobicContact CB-CH2 4.38Å; P383-W482 HydrophobicContact CB-CZ3 4.22Å; P383-W482 HydrophobicContact CG-CZ3 4.38Å
384	I	84.6	Confident	71.3	Confident	6 Å²	6	63.4 Å²	63.4	3%	0.031	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-76.5	141.3	-178.8	-58.6	162.3	0	0	0	109.7	Y329 V333 Y355 N386 H481 W482 L483	Y329-I384 HydrophobicContact CD2-CG2 4.13Å; Y329-I384 HydrophobicContact CE2-CB 3.83Å; Y329-I384 HydrophobicContact CE2-CG2 3.84Å; Y329-I384 VanDerWaalsContact CE2-O 3.25Å; Y329-I384 WeakPolarHBondContact CE2-O 3.38Å; Y329-I384 PolarHBondContact OH-O 3.5Å; V333-I384 HydrophobicContact CB-CD1 4.16Å; V333-I384 HydrophobicContact CG2-CD1 3.71Å; Y355-I384 HydrophobicContact CD2-CG2 4.16Å; Y355-I384 HydrophobicContact CE1-CD1 4.35Å; Y355-I384 HydrophobicContact CE1-CG1 3.94Å; Y355-I384 HydrophobicContact CE1-CG2 4.07Å; Y355-I384 HydrophobicContact CE2-CG2 3.64Å; I384-N386 PolarHBondContact O-N 3.48Å; I384-H481 HydrophobicContact CD1-CB 4.37Å; I384-H481 PolarHBondContact N-O 3.01Å; I384-W482 VanDerWaalsContact CD1-C 3.49Å; I384-L483 HydrophobicContact CD1-CB 4.23Å; I384-L483 HydrophobicContact CG1-CB 4.1Å
385	T	82.4	Confident	73.8	Confident	16 Å²	16	63 Å²	63	10%	0.098	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-72.8	120.2	171.8	-78.8	0	0	0	0	111.3	Y355 C356 R357 P387	Y355-T385 PolarHBondContact O-N 3.23Å; C356-T385 PolarHBondContact O-OG1 3.04Å; R357-T385 VanDerWaalsContact CA-OG1 3.25Å; R357-T385 WeakPolarHBondContact CA-OG1 3.41Å; R357-T385 PolarHBondContact N-OG1 3.43Å; T385-P387 WeakPolarHBondContact O-CD 3.48Å
386	N	83.1	Confident	76.2	Confident	76 Å²	76	65.7 Å²	65.7	41%	0.406	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-60.7	119.6	169.4	-178.3	-23.6	0	0	0	110.2	Y329 I384 T388 R391	Y329-N386 HydrophobicContact CD1-CB 4.46Å; Y329-N386 HydrophobicContact CD2-CB 4.23Å; Y329-N386 HydrophobicContact CE1-CB 4.4Å; Y329-N386 HydrophobicContact CE2-CB 4.15Å; Y329-N386 HydrophobicContact CG-CB 4.38Å; I384-N386 PolarHBondContact O-N 3.48Å; N386-T388 PolarHBondContact O-N 3.33Å; N386-T388 VanDerWaalsContact O-N 3.1Å; N386-R391 WeakPolarHBondContact O-CD 3.41Å; N386-R391 PolarHBondContact O-NH1 2.9Å
387	P	82	Confident	78.7	Confident	17 Å²	17	64.6 Å²	64.6	11%	0.11	31%	0.311	C	S	.	.			trans	-83.5	76.4	-175.9	35.7	-34.6	0	0	0	111.5	Q324 T385 M392	Q324-P387 HydrophobicContact CB-CB 4.03Å; Q324-P387 HydrophobicContact CG-CB 4.03Å; T385-P387 WeakPolarHBondContact O-CD 3.48Å; P387-M392 HydrophobicContact CB-CG 4.07Å; P387-M392 HydrophobicContact CB-SD 4.11Å
388	T	85	Confident	80.8	Confident	52 Å²	52	60.8 Å²	60.8	32%	0.319	29%	0.288	S	S	.	.			trans	-66.5	150.9	172.6	67.2	0	0	0	0	111.1	N386 Y390 R391 M392	N386-T388 PolarHBondContact O-N 3.33Å; N386-T388 VanDerWaalsContact O-N 3.1Å; T388-Y390 PolarHBondContact O-N 3.43Å; T388-Y390 VanDerWaalsContact O-N 3.15Å; T388-R391 WeakPolarHBondContact O-CA 3.34Å; T388-R391 WeakPolarHBondContact O-CB 3.39Å; T388-R391 PolarHBondContact O-N 3.3Å; T388-R391 WeakPolarHBondContact OG1-CG 3.46Å; T388-M392 PolarHBondContact O-N 2.97Å
389	P	85.4	Confident	82.6	Confident	110 Å²	110	56.5 Å²	56.5	71%	0.714	27%	0.269	S	S	*	.	H	α-helix	trans	-53.9	-38.6	-178.5	-29.3	36	0	0	0	113.8	M392 F393	P389-M392 PolarHBondContact O-N 3.02Å; P389-F393 WeakPolarHBondContact O-CB 3.48Å; P389-F393 PolarHBondContact O-N 3.33Å
390	Y	86.1	Confident	84	Confident	129 Å²	129	59.3 Å²	59.3	51%	0.506	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-42.7	174	176.6	-103	0	0	0	113	T388 F393 R394 F435	T388-Y390 PolarHBondContact O-N 3.43Å; T388-Y390 VanDerWaalsContact O-N 3.15Å; Y390-F393 PolarHBondContact O-N 3.48Å; Y390-R394 HydrophobicContact CD1-CG 4.48Å; Y390-R394 HydrophobicContact CD2-CG 4.48Å; Y390-R394 HydrophobicContact CE1-CG 4.08Å; Y390-R394 HydrophobicContact CE2-CG 4.07Å; Y390-R394 WeakPolarHBondContact O-CB 3.35Å; Y390-R394 WeakPolarHBondContact O-CG 3.45Å; Y390-R394 PolarHBondContact O-N 3Å; Y390-R394 PolarHBondContact OH-NE 2.71Å; Y390-R394 PolarHBondContact OH-NH2 3.07Å; Y390-F435 HydrophobicContact CE1-CE1 4.34Å
391	R	84.8	Confident	84.7	Confident	89 Å²	89	62.4 Å²	62.4	34%	0.336	29%	0.293	S	S	.	.	H	α-helix	trans	-66.1	-42.3	176.4	-73.7	178	171.3	162.5	-0.2	111.7	N386 T388 R395 F435	N386-R391 WeakPolarHBondContact O-CD 3.41Å; N386-R391 PolarHBondContact O-NH1 2.9Å; T388-R391 WeakPolarHBondContact O-CA 3.34Å; T388-R391 WeakPolarHBondContact O-CB 3.39Å; T388-R391 PolarHBondContact O-N 3.3Å; T388-R391 WeakPolarHBondContact OG1-CG 3.46Å; R391-R395 WeakPolarHBondContact O-CB 3.25Å; R391-R395 PolarHBondContact O-N 2.82Å; R391-F435 HydrophobicContact CB-CE2 3.91Å; R391-F435 HydrophobicContact CB-CZ 4.18Å; R391-F435 HydrophobicContact CG-CD2 4.49Å; R391-F435 HydrophobicContact CG-CE2 3.73Å; R391-F435 HydrophobicContact CG-CZ 3.78Å
392	M	85.8	Confident	85.2	Confident	63 Å²	63	60.1 Å²	60.1	31%	0.31	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-44.5	176.1	-64	-178.1	77.2	0	0	111.5	R325 P387 T388 P389 R395 Q396	R325-M392 HydrophobicContact CG-CE 3.76Å; P387-M392 HydrophobicContact CB-CG 4.07Å; P387-M392 HydrophobicContact CB-SD 4.11Å; T388-M392 PolarHBondContact O-N 2.97Å; P389-M392 PolarHBondContact O-N 3.02Å; M392-R395 PolarHBondContact O-N 2.84Å; M392-Q396 WeakPolarHBondContact O-CB 3.38Å; M392-Q396 PolarHBondContact O-N 2.78Å
393	F	87.9	Confident	85.3	Confident	113 Å²	113	64.4 Å²	64.4	50%	0.496	31%	0.31	S	S	.	.	H	α-helix	trans	-62.3	-48.9	176.4	176.8	-105.7	0	0	0	112.6	P389 Y390 R395 Q396 N397	P389-F393 WeakPolarHBondContact O-CB 3.48Å; P389-F393 PolarHBondContact O-N 3.33Å; Y390-F393 PolarHBondContact O-N 3.48Å; F393-R395 VanDerWaalsContact C-N 3.34Å; F393-R395 PolarHBondContact O-N 2.82Å; F393-Q396 PolarHBondContact O-N 3.11Å; F393-Q396 VanDerWaalsContact O-N 3.15Å; F393-N397 WeakPolarHBondContact CE1-ND2 3.05Å; F393-N397 VanDerWaalsContact CZ-ND2 3.27Å; F393-N397 WeakPolarHBondContact CZ-ND2 3.4Å; F393-N397 PolarHBondContact O-N 3.04Å
394	R	87.6	Confident	85.4	Confident	126 Å²	126	70.1 Å²	70.1	48%	0.475	34%	0.336	S	S	.	.	H	α-helix	trans	-57.1	-45.3	176	-77.6	-70.3	-165.5	173.5	3.3	111.9	Y390 N397 R398 T434 F435	Y390-R394 HydrophobicContact CD1-CG 4.48Å; Y390-R394 HydrophobicContact CD2-CG 4.48Å; Y390-R394 HydrophobicContact CE1-CG 4.08Å; Y390-R394 HydrophobicContact CE2-CG 4.07Å; Y390-R394 WeakPolarHBondContact O-CB 3.35Å; Y390-R394 WeakPolarHBondContact O-CG 3.45Å; Y390-R394 PolarHBondContact O-N 3Å; Y390-R394 PolarHBondContact OH-NE 2.71Å; Y390-R394 PolarHBondContact OH-NH2 3.07Å; R394-N397 PolarHBondContact O-N 3.01Å; R394-R398 PolarHBondContact O-N 2.82Å; R394-R398 VanDerWaalsContact O-N 3.15Å; R394-T434 HydrophobicContact CB-CG2 3.86Å; R394-F435 HydrophobicContact CB-CE2 4.34Å; R394-F435 HydrophobicContact CB-CZ 3.72Å; R394-F435 HydrophobicContact CG-CZ 4.06Å
395	R	88.1	Confident	85.3	Confident	7 Å²	7	72.6 Å²	72.6	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-62.6	-43.5	175.4	-172.1	-167	-167.2	136.2	11.8	111.8	E317 D354 R391 M392 F393 N397 R398 L399	E317-R395 IonicContact OE2-CZ 3.09Å; E317-R395 IonicContact OE2-NE 2.73Å; E317-R395 PolarHBondContact OE2-NE 3.33Å; E317-R395 IonicContact OE2-NH2 3.53Å; E317-R395 PolarHBondContact OE2-NH2 3.08Å; D354-R395 IonicContact OD2-NE 2.6Å; R391-R395 WeakPolarHBondContact O-CB 3.25Å; R391-R395 PolarHBondContact O-N 2.82Å; M392-R395 PolarHBondContact O-N 2.84Å; F393-R395 VanDerWaalsContact C-N 3.34Å; F393-R395 PolarHBondContact O-N 2.82Å; R395-N397 PolarHBondContact O-N 3.15Å; R395-R398 PolarHBondContact O-N 3.41Å; R395-L399 HydrophobicContact CG-CD1 4.09Å; R395-L399 HydrophobicContact CG-CG 4.38Å; R395-L399 WeakPolarHBondContact O-CG 3.39Å; R395-L399 PolarHBondContact O-N 3.27Å
396	Q	88.3	Confident	85.1	Confident	110 Å²	110	73.5 Å²	73.5	51%	0.514	35%	0.353	S	S	.	.	H	α-helix	trans	-61.1	-34.4	-179.5	-162	-170.9	24.1	0	0	111.6	M392 F393 K400	M392-Q396 WeakPolarHBondContact O-CB 3.38Å; M392-Q396 PolarHBondContact O-N 2.78Å; F393-Q396 PolarHBondContact O-N 3.11Å; F393-Q396 VanDerWaalsContact O-N 3.15Å; Q396-K400 VanDerWaalsContact O-CG 3.28Å; Q396-K400 WeakPolarHBondContact O-CG 3.33Å; Q396-K400 PolarHBondContact O-N 3.15Å
397	N	88.3	Confident	84.8	Confident	37 Å²	37	73.7 Å²	73.7	20%	0.198	35%	0.352	C	S	.	.	H	α-helix	trans	-71.4	-47	175.3	-64.3	-13.7	0	0	0	111.6	F393 R394 R395 L399 K400 E401	F393-N397 WeakPolarHBondContact CE1-ND2 3.05Å; F393-N397 VanDerWaalsContact CZ-ND2 3.27Å; F393-N397 WeakPolarHBondContact CZ-ND2 3.4Å; F393-N397 PolarHBondContact O-N 3.04Å; R394-N397 PolarHBondContact O-N 3.01Å; R395-N397 PolarHBondContact O-N 3.15Å; N397-L399 PolarHBondContact O-N 3.47Å; N397-L399 VanDerWaalsContact O-N 3.15Å; N397-K400 WeakPolarHBondContact O-CB 3.28Å; N397-K400 PolarHBondContact O-N 2.88Å; N397-K400 PolarHBondContact OD1-NZ 3.23Å; N397-E401 VanDerWaalsContact O-CD 3.27Å; N397-E401 WeakPolarHBondContact O-CG 3.26Å; N397-E401 PolarHBondContact O-N 2.78Å
398	R	88.7	Confident	84.3	Confident	48 Å²	48	77.5 Å²	77.5	18%	0.181	39%	0.385	C	S	.	.	H	α-helix	trans	-50.2	-42.4	170.4	179.5	179.3	67.6	85.2	-7.8	112.4	E317 D354 R394 R395 A402 G432 T434	E317-R398 VanDerWaalsContact CD-NH2 3.35Å; E317-R398 IonicContact OE1-CZ 2.96Å; E317-R398 VanDerWaalsContact OE1-CZ 3.26Å; E317-R398 IonicContact OE1-NH1 3.32Å; E317-R398 PolarHBondContact OE1-NH1 2.9Å; E317-R398 IonicContact OE1-NH2 2.81Å; E317-R398 PolarHBondContact OE1-NH2 3.18Å; E317-R398 IonicContact OE2-NH2 2.78Å; E317-R398 PolarHBondContact OE2-NH2 3.43Å; E317-R398 VanDerWaalsContact OE2-NH2 3.15Å; D354-R398 IonicContact OD2-CZ 3.59Å; D354-R398 IonicContact OD2-NE 3.6Å; D354-R398 IonicContact OD2-NH2 3.29Å; D354-R398 PolarHBondContact OD2-NH2 3.19Å; R394-R398 PolarHBondContact O-N 2.82Å; R394-R398 VanDerWaalsContact O-N 3.15Å; R395-R398 PolarHBondContact O-N 3.41Å; R398-A402 WeakPolarHBondContact O-CB 3.49Å; R398-A402 PolarHBondContact O-N 2.67Å; R398-G432 PolarHBondContact NH2-O 3.45Å; R398-G432 VanDerWaalsContact NH2-O 3.14Å; R398-T434 PolarHBondContact NE-OG1 3.15Å
399	L	86.6	Confident	83.9	Confident	35 Å²	35	80.4 Å²	80.4	18%	0.183	39%	0.394	C	S	.	.	H	α-helix	trans	-72	-34.6	179.5	-67.6	175.3	0	0	0	112.9	E317 R395 N397 L403	E317-L399 HydrophobicContact CB-CD2 4.03Å; E317-L399 HydrophobicContact CG-CD2 4.04Å; R395-L399 HydrophobicContact CG-CD1 4.09Å; R395-L399 HydrophobicContact CG-CG 4.38Å; R395-L399 WeakPolarHBondContact O-CG 3.39Å; R395-L399 PolarHBondContact O-N 3.27Å; N397-L399 PolarHBondContact O-N 3.47Å; N397-L399 VanDerWaalsContact O-N 3.15Å; L399-L403 WeakPolarHBondContact O-CB 3.42Å; L399-L403 WeakPolarHBondContact O-CD1 3.36Å; L399-L403 VanDerWaalsContact O-CG 3.28Å; L399-L403 WeakPolarHBondContact O-CG 3.31Å; L399-L403 PolarHBondContact O-N 2.82Å; L399-L403 VanDerWaalsContact O-N 3.13Å
400	K	87.2	Confident	83.6	Confident	91 Å²	91	76.1 Å²	76.1	40%	0.396	37%	0.365	S	S	.	.	H	α-helix	trans	-66.6	-42	171.5	-71.7	165.1	-172.3	162	0	111.7	Q396 N397 L403 Q404	Q396-K400 VanDerWaalsContact O-CG 3.28Å; Q396-K400 WeakPolarHBondContact O-CG 3.33Å; Q396-K400 PolarHBondContact O-N 3.15Å; N397-K400 WeakPolarHBondContact O-CB 3.28Å; N397-K400 PolarHBondContact O-N 2.88Å; N397-K400 PolarHBondContact OD1-NZ 3.23Å; K400-L403 PolarHBondContact O-N 2.93Å; K400-Q404 WeakPolarHBondContact O-CG 3.31Å; K400-Q404 PolarHBondContact O-N 3Å
401	E	85.6	Confident	83.4	Confident	111 Å²	111	73.3 Å²	73.3	52%	0.519	36%	0.363	S	S	.	.	H	α-helix	trans	-62.7	-50	177.1	-69.3	149.3	-151.5	0	0	110.3	N397 L403 Q404 Q405	N397-E401 VanDerWaalsContact O-CD 3.27Å; N397-E401 WeakPolarHBondContact O-CG 3.26Å; N397-E401 PolarHBondContact O-N 2.78Å; E401-L403 VanDerWaalsContact C-N 3.28Å; E401-L403 PolarHBondContact O-N 2.69Å; E401-Q404 WeakPolarHBondContact O-CA 3.33Å; E401-Q404 WeakPolarHBondContact O-CB 3.44Å; E401-Q404 PolarHBondContact O-N 3.36Å; E401-Q405 PolarHBondContact O-N 3.05Å
402	A	82.6	Confident	83.2	Confident	24 Å²	24	72.5 Å²	72.5	20%	0.198	38%	0.375	C	S	.	.	H	α-helix	trans	-60	-34.2	177	0	0	0	0	0	113.5	R398 Q404	R398-A402 WeakPolarHBondContact O-CB 3.49Å; R398-A402 PolarHBondContact O-N 2.67Å; A402-Q404 PolarHBondContact O-N 2.82Å
403	L	81.6	Confident	82.9	Confident	89 Å²	89	72.8 Å²	72.8	47%	0.466	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-15	173.2	-80	166.5	0	0	0	114	L399 K400 E401 N677	L399-L403 WeakPolarHBondContact O-CB 3.42Å; L399-L403 WeakPolarHBondContact O-CD1 3.36Å; L399-L403 VanDerWaalsContact O-CG 3.28Å; L399-L403 WeakPolarHBondContact O-CG 3.31Å; L399-L403 PolarHBondContact O-N 2.82Å; L399-L403 VanDerWaalsContact O-N 3.13Å; K400-L403 PolarHBondContact O-N 2.93Å; E401-L403 VanDerWaalsContact C-N 3.28Å; E401-L403 PolarHBondContact O-N 2.69Å; L403-N677 HydrophobicContact CD2-CB 3.78Å; L403-N677 WeakPolarHBondContact CD2-OD1 3.45Å; L403-N677 HydrophobicContact CG-CB 4.5Å
404	Q	82.5	Confident	82.5	Confident	123 Å²	123	70.5 Å²	70.5	58%	0.575	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-21.4	179.5	-71.6	178.8	25.7	0	0	113.4	K400 E401 A402 K679	K400-Q404 WeakPolarHBondContact O-CG 3.31Å; K400-Q404 PolarHBondContact O-N 3Å; E401-Q404 WeakPolarHBondContact O-CA 3.33Å; E401-Q404 WeakPolarHBondContact O-CB 3.44Å; E401-Q404 PolarHBondContact O-N 3.36Å; A402-Q404 PolarHBondContact O-N 2.82Å; Q404-K679 WeakPolarHBondContact O-CD 3.27Å; Q404-K679 VanDerWaalsContact O-CE 3.3Å; Q404-K679 WeakPolarHBondContact O-CE 3.37Å; Q404-K679 PolarHBondContact O-NZ 2.77Å
405	Q	81.7	Confident	82.2	Confident	58 Å²	58	66.5 Å²	66.5	27%	0.271	36%	0.357	S	S	.	.			trans	-63.8	152.1	-179.5	-71.6	172.6	-10.8	0	0	113.4	E401 E409 L678 K679	E401-Q405 PolarHBondContact O-N 3.05Å; Q405-E409 WeakPolarHBondContact CA-OE2 3.42Å; Q405-L678 HydrophobicContact CB-CD2 4.41Å; Q405-L678 VanDerWaalsContact O-CD2 3.3Å; Q405-L678 WeakPolarHBondContact O-CD2 3.32Å; Q405-K679 PolarHBondContact O-N 2.87Å
406	T	78.8	Confident	81.9	Confident	36 Å²	36	72.8 Å²	72.8	22%	0.221	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-102.3	172.3	165.7	67.2	0	0	0	0	111.8	A408 E409 L410 L678 K679	T406-A408 PolarHBondContact O-N 3.14Å; T406-E409 VanDerWaalsContact CB-OE1 3.27Å; T406-E409 WeakPolarHBondContact CB-OE1 2.9Å; T406-E409 VanDerWaalsContact CG2-OE1 3.29Å; T406-E409 WeakPolarHBondContact CG2-OE1 3.5Å; T406-E409 PolarHBondContact N-OE1 3.4Å; T406-E409 PolarHBondContact O-N 3.44Å; T406-E409 PolarHBondContact OG1-OE1 2.99Å; T406-L410 WeakPolarHBondContact O-CG 3.06Å; T406-L678 VanDerWaalsContact C-CD2 3.45Å; T406-K679 HydrophobicContact CG2-CB 4.41Å
407	E	75.8	Confident	81.6	Confident	79 Å²	79	72.8 Å²	72.8	37%	0.369	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-64.7	-21	175.6	-76.5	-179	-167.4	0	0	114	L410 L678	E407-L410 WeakPolarHBondContact O-CG 3.46Å; E407-L678 HydrophobicContact CG-CD1 3.45Å; E407-L678 VanDerWaalsContact CG-CD1 3.45Å; E407-L678 HydrophobicContact CG-CD2 4.44Å; E407-L678 HydrophobicContact CG-CG 4.41Å
408	A	71.1	Confident	81.2	Confident	97 Å²	97	71.3 Å²	71.3	80%	0.802	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-85	-16.5	-179	0	0	0	0	0	114	T406 L410	T406-A408 PolarHBondContact O-N 3.14Å; A408-L410 VanDerWaalsContact C-N 3.27Å; A408-L410 PolarHBondContact O-N 3.19Å
409	E	77.9	Confident	80.9	Confident	113 Å²	113	72.9 Å²	72.9	53%	0.528	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-87.3	8.3	-178.7	-69.6	156.2	-120	0	0	113.1	Q405 T406	Q405-E409 WeakPolarHBondContact CA-OE2 3.42Å; T406-E409 VanDerWaalsContact CB-OE1 3.27Å; T406-E409 WeakPolarHBondContact CB-OE1 2.9Å; T406-E409 VanDerWaalsContact CG2-OE1 3.29Å; T406-E409 WeakPolarHBondContact CG2-OE1 3.5Å; T406-E409 PolarHBondContact N-OE1 3.4Å; T406-E409 PolarHBondContact O-N 3.44Å; T406-E409 PolarHBondContact OG1-OE1 2.99Å
410	L	78.5	Confident	80.7	Confident	20 Å²	20	74.4 Å²	74.4	11%	0.105	39%	0.387	C	S	.	.	S	Bend	trans	-98.4	146.3	-168.1	-50.4	-177	0	0	0	112.1	T406 E407 A408 A412 L415 L418 L678	T406-L410 WeakPolarHBondContact O-CG 3.06Å; E407-L410 WeakPolarHBondContact O-CG 3.46Å; A408-L410 VanDerWaalsContact C-N 3.27Å; A408-L410 PolarHBondContact O-N 3.19Å; L410-A412 PolarHBondContact O-N 2.97Å; L410-L415 HydrophobicContact CB-CB 4.34Å; L410-L415 HydrophobicContact CD1-CB 4.49Å; L410-L415 HydrophobicContact CD1-CD1 4.19Å; L410-L418 HydrophobicContact CD1-CD1 4.34Å; L410-L678 HydrophobicContact CD1-CD1 4.32Å
411	P	83.1	Confident	80.3	Confident	70 Å²	70	71 Å²	71	46%	0.455	37%	0.372	S	S	.	.			trans	-61.7	137.2	166.6	26.8	-31.6	0	0	0	109.6	D413 E414 L415	P411-D413 VanDerWaalsContact C-N 3.25Å; P411-D413 PolarHBondContact O-N 3.23Å; P411-E414 HydrophobicContact CG-CB 3.86Å; P411-E414 PolarHBondContact O-N 2.96Å; P411-L415 PolarHBondContact O-N 2.93Å; P411-L415 VanDerWaalsContact O-N 3.09Å
412	A	79.6	Confident	80.1	Confident	72 Å²	72	67 Å²	67	60%	0.595	36%	0.357	S	S	*	.	H	α-helix	trans	-54.7	-40.7	-172.1	0	0	0	0	0	112.7	L410 E414 L415 Q416	L410-A412 PolarHBondContact O-N 2.97Å; A412-E414 VanDerWaalsContact C-N 3.33Å; A412-E414 PolarHBondContact O-N 3.22Å; A412-L415 PolarHBondContact O-N 3.38Å; A412-Q416 WeakPolarHBondContact O-CB 3.22Å; A412-Q416 PolarHBondContact O-N 3.02Å
413	D	79.3	Confident	79.9	Confident	70 Å²	70	73.9 Å²	73.9	37%	0.374	38%	0.378	S	S	.	.	H	α-helix	trans	-57.8	-42.5	177.5	-22.6	-32.8	0	0	0	112.1	P411 R417 R441	P411-D413 VanDerWaalsContact C-N 3.25Å; P411-D413 PolarHBondContact O-N 3.23Å; D413-R417 WeakPolarHBondContact O-CB 3.5Å; D413-R417 PolarHBondContact O-N 2.73Å; D413-R441 IonicContact OD2-CZ 2.66Å; D413-R441 IonicContact OD2-NH1 2.71Å; D413-R441 PolarHBondContact OD2-NH1 3.33Å; D413-R441 IonicContact OD2-NH2 3.55Å; D413-R441 PolarHBondContact OD2-NH2 2.76Å
414	E	79.1	Confident	79.5	Confident	65 Å²	65	71.6 Å²	71.6	30%	0.304	37%	0.365	S	S	.	.	H	α-helix	trans	-73.1	-42	179.4	-169	179.6	155	0	0	110.7	P411 A412 Q416 R417 L418 R430	P411-E414 HydrophobicContact CG-CB 3.86Å; P411-E414 PolarHBondContact O-N 2.96Å; A412-E414 VanDerWaalsContact C-N 3.33Å; A412-E414 PolarHBondContact O-N 3.22Å; E414-Q416 VanDerWaalsContact C-N 3.32Å; E414-Q416 PolarHBondContact O-N 3.46Å; E414-R417 PolarHBondContact O-N 3.15Å; E414-L418 HydrophobicContact CG-CD1 4.09Å; E414-L418 HydrophobicContact CG-CG 4.43Å; E414-L418 WeakPolarHBondContact O-CB 3.4Å; E414-L418 VanDerWaalsContact O-CG 3.22Å; E414-L418 WeakPolarHBondContact O-CG 3.38Å; E414-L418 PolarHBondContact O-N 2.79Å; E414-R430 WeakPolarHBondContact OE1-CD 3.31Å; E414-R430 IonicContact OE1-CZ 3.21Å; E414-R430 IonicContact OE1-NE 2.75Å; E414-R430 PolarHBondContact OE1-NE 2.9Å; E414-R430 IonicContact OE1-NH1 2.74Å
415	L	81.6	Confident	79.1	Confident	41 Å²	41	65.8 Å²	65.8	22%	0.215	34%	0.338	C	S	.	.	H	α-helix	trans	-59.9	-43	173.6	-179.8	62.9	0	0	0	111	L410 P411 A412 L418 Q419	L410-L415 HydrophobicContact CB-CB 4.34Å; L410-L415 HydrophobicContact CD1-CB 4.49Å; L410-L415 HydrophobicContact CD1-CD1 4.19Å; P411-L415 PolarHBondContact O-N 2.93Å; P411-L415 VanDerWaalsContact O-N 3.09Å; A412-L415 PolarHBondContact O-N 3.38Å; L415-L418 PolarHBondContact O-N 2.74Å; L415-Q419 HydrophobicContact CD1-CG 4.33Å; L415-Q419 WeakPolarHBondContact O-CB 3.49Å; L415-Q419 VanDerWaalsContact O-CG 3.28Å; L415-Q419 WeakPolarHBondContact O-CG 3.35Å; L415-Q419 PolarHBondContact O-N 3.28Å
416	Q	82.4	Confident	78.8	Confident	139 Å²	139	63.5 Å²	63.5	65%	0.65	33%	0.327	S	S	*	.	H	α-helix	trans	-66.2	-40.7	176.4	-168.5	179.6	7.5	0	0	111.9	A412 E414 Q419 R420	A412-Q416 WeakPolarHBondContact O-CB 3.22Å; A412-Q416 PolarHBondContact O-N 3.02Å; E414-Q416 VanDerWaalsContact C-N 3.32Å; E414-Q416 PolarHBondContact O-N 3.46Å; Q416-Q419 PolarHBondContact O-N 3.27Å; Q416-R420 WeakPolarHBondContact O-CB 3.47Å; Q416-R420 PolarHBondContact O-N 3.15Å
417	R	80.9	Confident	79	Confident	110 Å²	110	62 Å²	62	42%	0.415	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-46.1	172.3	-177.4	177.7	177.7	178	-0.6	111.1	E352 D413 E414 R420 L421	E352-R417 IonicContact OE2-NH2 3.92Å; E352-R417 PolarHBondContact OE2-NH2 3.02Å; D413-R417 WeakPolarHBondContact O-CB 3.5Å; D413-R417 PolarHBondContact O-N 2.73Å; E414-R417 PolarHBondContact O-N 3.15Å; R417-R420 PolarHBondContact O-N 2.6Å; R417-L421 HydrophobicContact CG-CD1 4.27Å; R417-L421 WeakPolarHBondContact O-CG 3.37Å; R417-L421 PolarHBondContact O-N 2.73Å
418	L	81	Confident	79.4	Confident	6 Å²	6	58.2 Å²	58.2	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-66.5	-41.5	179	-69.6	169.6	0	0	0	112.1	L410 E414 L415 L421 S422 V428 R430 I675	L410-L418 HydrophobicContact CD1-CD1 4.34Å; E414-L418 HydrophobicContact CG-CD1 4.09Å; E414-L418 HydrophobicContact CG-CG 4.43Å; E414-L418 WeakPolarHBondContact O-CB 3.4Å; E414-L418 VanDerWaalsContact O-CG 3.22Å; E414-L418 WeakPolarHBondContact O-CG 3.38Å; E414-L418 PolarHBondContact O-N 2.79Å; L415-L418 PolarHBondContact O-N 2.74Å; L418-L421 PolarHBondContact O-N 3.23Å; L418-S422 PolarHBondContact O-N 2.93Å; L418-S422 PolarHBondContact O-OG 2.86Å; L418-V428 HydrophobicContact CD2-CG1 3.52Å; L418-R430 HydrophobicContact CD1-CG 4.41Å; L418-R430 HydrophobicContact CD2-CG 4.18Å; L418-I675 HydrophobicContact CB-CD1 4.11Å; L418-I675 HydrophobicContact CD1-CG2 4.5Å; L418-I675 HydrophobicContact CD2-CG2 4.33Å
419	Q	81.6	Confident	79.9	Confident	81 Å²	81	53.9 Å²	53.9	38%	0.379	26%	0.264	S	S	.	.	H	α-helix	trans	-66.2	-35.6	173.7	-73.1	-179.6	12.4	0	0	112.6	L415 Q416 S422 R423	L415-Q419 HydrophobicContact CD1-CG 4.33Å; L415-Q419 WeakPolarHBondContact O-CB 3.49Å; L415-Q419 VanDerWaalsContact O-CG 3.28Å; L415-Q419 WeakPolarHBondContact O-CG 3.35Å; L415-Q419 PolarHBondContact O-N 3.28Å; Q416-Q419 PolarHBondContact O-N 3.27Å; Q419-S422 PolarHBondContact O-OG 2.97Å; Q419-R423 VanDerWaalsContact O-CG 3.27Å; Q419-R423 WeakPolarHBondContact O-CG 3.46Å; Q419-R423 PolarHBondContact O-N 3.19Å
420	R	82.1	Confident	80.1	Confident	68 Å²	68	50.3 Å²	50.3	26%	0.257	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-43.7	171.5	-173.2	175.7	65	147.6	-3	110.4	Q416 R417 R423 H424 F447 D448	Q416-R420 WeakPolarHBondContact O-CB 3.47Å; Q416-R420 PolarHBondContact O-N 3.15Å; R417-R420 PolarHBondContact O-N 2.6Å; R420-R423 PolarHBondContact O-N 3.4Å; R420-H424 PolarHBondContact O-ND1 3.17Å; R420-F447 PolarHBondContact NH2-O 2.87Å; R420-D448 IonicContact NH1-OD2 2.69Å; R420-D448 PolarHBondContact NH1-OD2 2.89Å
421	L	79.8	Confident	80.2	Confident	18 Å²	18	51.6 Å²	51.6	9%	0.094	26%	0.255	C	S	.	.	H	α-helix	trans	-67.5	-39.8	178	-70.7	169.9	0	0	0	112.9	T312 R417 L418 R423 H424 G425 V428	T312-L421 HydrophobicContact CG2-CD2 4.46Å; R417-L421 HydrophobicContact CG-CD1 4.27Å; R417-L421 WeakPolarHBondContact O-CG 3.37Å; R417-L421 PolarHBondContact O-N 2.73Å; L418-L421 PolarHBondContact O-N 3.23Å; L421-R423 VanDerWaalsContact C-N 3.27Å; L421-R423 PolarHBondContact O-N 3.31Å; L421-H424 CarbonylContact O-C 3.59Å; L421-H424 WeakPolarHBondContact O-CA 3.4Å; L421-H424 PolarHBondContact O-N 3.39Å; L421-G425 PolarHBondContact O-N 3.06Å; L421-V428 HydrophobicContact CB-CG1 3.81Å; L421-V428 HydrophobicContact CB-CG2 3.91Å; L421-V428 HydrophobicContact CD1-CG1 4.06Å
422	S	80.3	Confident	79.9	Confident	28 Å²	28	49 Å²	49	20%	0.196	24%	0.24	C	C	.	.	H	α-helix	trans	-72.1	-19.8	179	68.3	0	0	0	0	113.4	L418 Q419 H424	L418-S422 PolarHBondContact O-N 2.93Å; L418-S422 PolarHBondContact O-OG 2.86Å; Q419-S422 PolarHBondContact O-OG 2.97Å; S422-H424 VanDerWaalsContact C-N 3.26Å
423	R	78.4	Confident	79.9	Confident	169 Å²	169	47.6 Å²	47.6	64%	0.638	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.6	164.9	-68.7	171.7	-167.2	-167	6.2	113.3	Q419 R420 L421 R670	Q419-R423 VanDerWaalsContact O-CG 3.27Å; Q419-R423 WeakPolarHBondContact O-CG 3.46Å; Q419-R423 PolarHBondContact O-N 3.19Å; R420-R423 PolarHBondContact O-N 3.4Å; L421-R423 VanDerWaalsContact C-N 3.27Å; L421-R423 PolarHBondContact O-N 3.31Å; R423-R670 PolarHBondContact O-NH1 2.96Å; R423-R670 PolarHBondContact O-NH2 3.47Å
424	H	74.6	Confident	79.9	Confident	40 Å²	40	46 Å²	46	19%	0.185	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-32.9	-176.2	-73.2	75.8	0	0	0	113.9	R420 L421 S422 D450 R511 A512	R420-H424 PolarHBondContact O-ND1 3.17Å; L421-H424 CarbonylContact O-C 3.59Å; L421-H424 WeakPolarHBondContact O-CA 3.4Å; L421-H424 PolarHBondContact O-N 3.39Å; S422-H424 VanDerWaalsContact C-N 3.26Å; H424-D450 IonicContact CD2-OD2 3.45Å; H424-R511 PolarHBondContact CD2-NE 2.97Å; H424-R511 VanDerWaalsContact CD2-NE 3.31Å; H424-R511 PolarHBondContact NE2-NE 2.9Å; H424-R511 PolarHBondContact NE2-NH2 3Å; H424-R511 CarbonylContact O-C 3.55Å; H424-R511 WeakPolarHBondContact O-CA 3.18Å; H424-A512 WeakPolarHBondContact O-CB 3.49Å; H424-A512 PolarHBondContact O-N 3.48Å
425	G	74.4	Confident	79.6	Confident	1 Å²	1	46 Å²	46	1%	0.01	21%	0.214	C	C	.	.			trans	-130.7	150.8	179.7	0	0	0	0	0	113.3	D272 L421 L427	D272-G425 CarbonylContact O-C 3.5Å; D272-G425 WeakPolarHBondContact O-CA 3.21Å; L421-G425 PolarHBondContact O-N 3.06Å; G425-L427 VanDerWaalsContact C-N 3.32Å
426	Y	75.6	Confident	78.8	Confident	10 Å²	10	53.4 Å²	53.4	4%	0.039	24%	0.239	C	C	.	.	S	Bend	trans	-70.8	-25.1	178	-72.6	-64.2	0	0	0	113.9	D272 L274 P275 A512 I513 A671 Q674	D272-Y426 PolarHBondContact O-N 3.02Å; L274-Y426 VanDerWaalsContact C-CD2 3.4Å; L274-Y426 WeakPolarHBondContact O-CD2 3.15Å; P275-Y426 HydrophobicContact CB-CD2 4.33Å; P275-Y426 HydrophobicContact CB-CE2 3.66Å; P275-Y426 HydrophobicContact CG-CE2 4.43Å; Y426-A512 HydrophobicContact CD1-CB 4.49Å; Y426-A512 HydrophobicContact CD2-CB 3.66Å; Y426-A512 HydrophobicContact CE1-CB 4.39Å; Y426-A512 HydrophobicContact CE2-CB 3.58Å; Y426-A512 HydrophobicContact CG-CB 4.15Å; Y426-I513 PolarHBondContact OH-O 3.21Å; Y426-A671 HydrophobicContact CD1-CB 4.22Å; Y426-A671 HydrophobicContact CE1-CB 3.87Å; Y426-A671 WeakPolarHBondContact CE1-O 3.27Å; Y426-Q674 PolarHBondContact O-N 3.17Å
427	L	82	Confident	77.3	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.7	179.9	-72.1	174.4	0	0	0	109.4	V271 D272 Y281 L282 T312 F314 G425 Q674	V271-L427 HydrophobicContact CG1-CD1 3.95Å; V271-L427 HydrophobicContact CG2-CD1 4.06Å; D272-L427 WeakPolarHBondContact CB-O 3.41Å; Y281-L427 WeakPolarHBondContact OH-CD1 3.26Å; L282-L427 HydrophobicContact CD2-CD1 4.13Å; T312-L427 VanDerWaalsContact CB-O 3.29Å; T312-L427 WeakPolarHBondContact CB-O 3.45Å; T312-L427 PolarHBondContact OG1-O 3.09Å; F314-L427 HydrophobicContact CB-CB 4.35Å; F314-L427 HydrophobicContact CD1-CD1 4.29Å; F314-L427 HydrophobicContact CD2-CB 3.75Å; F314-L427 HydrophobicContact CD2-CD1 4.28Å; F314-L427 HydrophobicContact CD2-CD2 4.28Å; F314-L427 HydrophobicContact CD2-CG 4.34Å; F314-L427 HydrophobicContact CE1-CD1 4.04Å; F314-L427 HydrophobicContact CE2-CB 4.18Å; F314-L427 HydrophobicContact CE2-CD1 4Å; F314-L427 HydrophobicContact CE2-CD2 3.89Å; F314-L427 HydrophobicContact CE2-CG 4.26Å; F314-L427 HydrophobicContact CG-CB 3.98Å; F314-L427 HydrophobicContact CG-CD1 4.41Å; F314-L427 HydrophobicContact CZ-CD1 3.88Å; F314-L427 HydrophobicContact CZ-CD2 4.44Å; G425-L427 VanDerWaalsContact C-N 3.32Å; L427-Q674 HydrophobicContact CD2-CB 4.44Å
428	V	83.5	Confident	75.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.2	176.6	-173	0	0	0	0	109.4	L418 L421 Q674 I675 H676	L418-V428 HydrophobicContact CD2-CG1 3.52Å; L421-V428 HydrophobicContact CB-CG1 3.81Å; L421-V428 HydrophobicContact CB-CG2 3.91Å; L421-V428 HydrophobicContact CD1-CG1 4.06Å; V428-Q674 PolarHBondContact N-O 2.91Å; V428-I675 HydrophobicContact CB-CG1 4.46Å; V428-H676 WeakPolarHBondContact O-CB 3.45Å; V428-H676 PolarHBondContact O-N 3.34Å
429	G	81.3	Confident	73.3	Confident	6 Å²	6	52.7 Å²	52.7	6%	0.062	29%	0.292	C	S	.	.			trans	-118.1	-175	173.1	0	0	0	0	0	112	T312	T312-G429 PolarHBondContact O-N 3.32Å
430	R	82.7	Confident	71	Confident	38 Å²	38	54.1 Å²	54.1	14%	0.143	31%	0.31	C	S	.	.			trans	-123.3	143.3	169.3	-65.1	179.2	-172.3	-177.4	11.4	109	E317 E414 L418 L678	E317-R430 VanDerWaalsContact CG-O 3.26Å; E317-R430 WeakPolarHBondContact CG-O 3.3Å; E414-R430 WeakPolarHBondContact OE1-CD 3.31Å; E414-R430 IonicContact OE1-CZ 3.21Å; E414-R430 IonicContact OE1-NE 2.75Å; E414-R430 PolarHBondContact OE1-NE 2.9Å; E414-R430 IonicContact OE1-NH1 2.74Å; L418-R430 HydrophobicContact CD1-CG 4.41Å; L418-R430 HydrophobicContact CD2-CG 4.18Å; R430-L678 VanDerWaalsContact NH2-CD1 3.33Å; R430-L678 VanDerWaalsContact NH2-CD2 3.33Å
431	V	80.3	Confident	69	Low	47 Å²	47	58.1 Å²	58.1	29%	0.285	33%	0.325	S	S	.	.			trans	-120.3	127.3	169.8	-176.1	0	0	0	0	106.5	L316 E352	L316-V431 HydrophobicContact CB-CG2 4.16Å; L316-V431 HydrophobicContact CD1-CG2 3.86Å; E352-V431 HydrophobicContact CB-CG1 4.34Å
432	G	76.8	Confident	66.8	Low	15 Å²	15	62.2 Å²	62.2	16%	0.155	36%	0.356	C	S	.	.			trans	-131.6	164.1	178.9	0	0	0	0	0	113.3	E317 R398	E317-G432 PolarHBondContact OE1-N 3.01Å; R398-G432 PolarHBondContact NH2-O 3.45Å; R398-G432 VanDerWaalsContact NH2-O 3.14Å
433	Q	80.2	Confident	64.6	Low	44 Å²	44	69.8 Å²	69.8	21%	0.206	39%	0.388	C	S	.	.			trans	-110.3	125.4	168.1	-60.8	-174.3	-0.1	0	0	108.9	E352 D354 R436	E352-Q433 WeakPolarHBondContact O-CG 3.23Å; E352-Q433 PolarHBondContact O-NE2 3.03Å; D354-Q433 WeakPolarHBondContact OD1-CA 3.32Å; Q433-R436 HydrophobicContact CB-CG 4.17Å
434	T	79.4	Confident	62.6	Low	35 Å²	35	67.5 Å²	67.5	22%	0.215	39%	0.385	C	S	.	.	S	Bend	trans	-75	-31.2	171.1	-52.1	0	0	0	0	110.8	D354 R394 R398	D354-T434 VanDerWaalsContact CG-N 3.3Å; D354-T434 WeakPolarHBondContact OD1-CB 3.27Å; D354-T434 PolarHBondContact OD1-N 3.42Å; D354-T434 WeakPolarHBondContact OD2-CB 3.31Å; D354-T434 PolarHBondContact OD2-N 2.94Å; D354-T434 VanDerWaalsContact OD2-N 3.12Å; D354-T434 PolarHBondContact OD2-OG1 3.27Å; R394-T434 HydrophobicContact CB-CG2 3.86Å; R398-T434 PolarHBondContact NE-OG1 3.15Å
435	F	73.1	Confident	60.8	Low	66 Å²	66	72.5 Å²	72.5	29%	0.289	41%	0.411	S	S	.	.	S	Bend	trans	-116.6	76	-176.2	-61.9	-78.9	0	0	0	110.8	S358 Y390 R391 R394	S358-F435 VanDerWaalsContact CB-O 3.25Å; S358-F435 WeakPolarHBondContact CB-O 3.47Å; S358-F435 PolarHBondContact OG-O 3.11Å; Y390-F435 HydrophobicContact CE1-CE1 4.34Å; R391-F435 HydrophobicContact CB-CE2 3.91Å; R391-F435 HydrophobicContact CB-CZ 4.18Å; R391-F435 HydrophobicContact CG-CD2 4.49Å; R391-F435 HydrophobicContact CG-CE2 3.73Å; R391-F435 HydrophobicContact CG-CZ 3.78Å; R394-F435 HydrophobicContact CB-CE2 4.34Å; R394-F435 HydrophobicContact CB-CZ 3.72Å; R394-F435 HydrophobicContact CG-CZ 4.06Å
436	R	64.4	Low	58.9	Low	197 Å²	197	80 Å²	80	74%	0.743	45%	0.446	S	S	*	.			trans	-76.7	127.3	170.9	-60.6	-174.5	-174.4	-156.9	2.1	109.5	Q433	Q433-R436 HydrophobicContact CB-CG 4.17Å
437	S	50.9	Low	57.2	Low	80 Å²	80	83 Å²	83	56%	0.559	46%	0.459	S	S	*	.			trans	-69.5	143.3	160.7	-62.6	0	0	0	0	108.9	G439	S437-G439 PolarHBondContact O-N 2.83Å
438	G	37.8	Very low	55.3	Low	94 Å²	94	85.6 Å²	85.6	97%	0.969	47%	0.473	S	S	*	.			trans	-74.3	57.6	-176	0	0	0	0	0	114.6
439	G	39.2	Very low	53.3	Low	66 Å²	66	86.4 Å²	86.4	68%	0.68	48%	0.478	S	S	*	.			trans	-85.7	146.9	164.9	0	0	0	0	0	110.9	S437	S437-G439 PolarHBondContact O-N 2.83Å
440	S	33.5	Very low	51.4	Low	110 Å²	110	87.6 Å²	87.6	77%	0.769	48%	0.484	S	S	*	.			trans	-57.9	158.5	170.3	-171.6	0	0	0	0	111.3	S442	S440-S442 PolarHBondContact O-N 3.33Å
441	R	40.2	Very low	49.7	Very low	152 Å²	152	88.3 Å²	88.3	57%	0.574	49%	0.494	S	S	*	.			trans	-67.4	79.3	161.9	-78.2	175.3	114.8	178.8	-1.7	108.4	D413 E443 E444	D413-R441 IonicContact OD2-CZ 2.66Å; D413-R441 IonicContact OD2-NH1 2.71Å; D413-R441 PolarHBondContact OD2-NH1 3.33Å; D413-R441 IonicContact OD2-NH2 3.55Å; D413-R441 PolarHBondContact OD2-NH2 2.76Å; R441-E443 PolarHBondContact O-N 3.14Å; R441-E444 IonicContact CZ-OE1 2.74Å; R441-E444 IonicContact NE-OE1 2.8Å; R441-E444 PolarHBondContact NE-OE1 2.79Å; R441-E444 VanDerWaalsContact NH2-CD 3.35Å; R441-E444 IonicContact NH2-OE1 3.26Å; R441-E444 PolarHBondContact NH2-OE1 3Å; R441-E444 IonicContact NH2-OE2 3.54Å; R441-E444 PolarHBondContact NH2-OE2 2.87Å
442	S	34.4	Very low	47.9	Very low	105 Å²	105	90.3 Å²	90.3	73%	0.734	50%	0.503	S	S	*	.			trans	-50.9	134.5	156.6	-51.5	0	0	0	0	107.6	S440 E444	S440-S442 PolarHBondContact O-N 3.33Å; S442-E444 PolarHBondContact O-N 3.05Å
443	E	33.7	Very low	46.1	Very low	187 Å²	187	91.7 Å²	91.7	87%	0.874	51%	0.513	S	S	*	.			trans	-42.5	122.7	-165.7	-62.5	178.7	147.9	0	0	112	R441 I445	R441-E443 PolarHBondContact O-N 3.14Å; E443-I445 VanDerWaalsContact C-N 3.33Å; E443-I445 PolarHBondContact O-N 2.92Å
444	E	37.4	Very low	44.1	Very low	121 Å²	121	91.8 Å²	91.8	57%	0.565	51%	0.512	S	S	*	.			trans	-68.4	92.9	-174.1	-71.3	-171.8	179.5	0	0	109.4	R441 S442 Q446	R441-E444 IonicContact CZ-OE1 2.74Å; R441-E444 IonicContact NE-OE1 2.8Å; R441-E444 PolarHBondContact NE-OE1 2.79Å; R441-E444 VanDerWaalsContact NH2-CD 3.35Å; R441-E444 IonicContact NH2-OE1 3.26Å; R441-E444 PolarHBondContact NH2-OE1 3Å; R441-E444 IonicContact NH2-OE2 3.54Å; R441-E444 PolarHBondContact NH2-OE2 2.87Å; S442-E444 PolarHBondContact O-N 3.05Å; E444-Q446 WeakPolarHBondContact O-CA 3.33Å; E444-Q446 PolarHBondContact O-N 2.91Å
445	I	36.8	Very low	42	Very low	144 Å²	144	91.3 Å²	91.3	74%	0.738	52%	0.515	S	S	*	.			trans	-45.7	110.9	168.3	-59	178	0	0	0	106.4	E443 F447	E443-I445 VanDerWaalsContact C-N 3.33Å; E443-I445 PolarHBondContact O-N 2.92Å; I445-F447 VanDerWaalsContact C-N 3.29Å; I445-F447 PolarHBondContact O-N 2.84Å
446	Q	33.7	Very low	40	Very low	159 Å²	159	95.3 Å²	95.3	74%	0.743	54%	0.535	S	S	*	.			trans	-70.5	89.2	-162.7	-172	179.8	47.3	0	0	109.2	E444 D448	E444-Q446 WeakPolarHBondContact O-CA 3.33Å; E444-Q446 PolarHBondContact O-N 2.91Å; Q446-D448 PolarHBondContact O-N 2.78Å
447	F	39.4	Very low	38.7	Very low	73 Å²	73	93.5 Å²	93.5	32%	0.32	54%	0.539	S	S	.	.			trans	-58.9	98.1	-172.2	-178.1	-98.5	0	0	0	109.8	R420 I445 P449 L452	R420-F447 PolarHBondContact NH2-O 2.87Å; I445-F447 VanDerWaalsContact C-N 3.29Å; I445-F447 PolarHBondContact O-N 2.84Å; F447-P449 HydrophobicContact CD1-CB 4.48Å; F447-P449 HydrophobicContact CD1-CG 4.48Å; F447-P449 HydrophobicContact CE1-CB 3.79Å; F447-P449 HydrophobicContact CE1-CG 4.15Å; F447-P449 HydrophobicContact CZ-CB 4.23Å; F447-P449 WeakPolarHBondContact O-CD 3.46Å; F447-L452 HydrophobicContact CD2-CD1 3.88Å; F447-L452 HydrophobicContact CE2-CD1 3.58Å; F447-L452 HydrophobicContact CZ-CD1 4.47Å
448	D	43.5	Very low	37.8	Very low	58 Å²	58	93.1 Å²	93.1	31%	0.31	55%	0.548	S	S	.	.			trans	-98.7	103.3	169.2	-156.4	-45.1	0	0	0	108.6	R420 Q446 D450 S451 L452	R420-D448 IonicContact NH1-OD2 2.69Å; R420-D448 PolarHBondContact NH1-OD2 2.89Å; Q446-D448 PolarHBondContact O-N 2.78Å; D448-D450 PolarHBondContact O-N 3.01Å; D448-D450 VanDerWaalsContact O-N 3.15Å; D448-D450 WeakPolarHBondContact OD1-CB 2.88Å; D448-D450 PolarHBondContact OD1-N 3.3Å; D448-S451 PolarHBondContact O-N 2.93Å; D448-L452 PolarHBondContact O-N 3.45Å
449	P	39.8	Very low	37.3	Very low	17 Å²	17	91.8 Å²	91.8	11%	0.11	53%	0.534	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-7.7	179.5	26.6	-33.5	0	0	0	113.7	K311 F447 A453	K311-P449 HydrophobicContact CD-CB 4.39Å; K311-P449 HydrophobicContact CD-CG 4.38Å; K311-P449 HydrophobicContact CG-CB 3.93Å; K311-P449 HydrophobicContact CG-CG 3.9Å; F447-P449 HydrophobicContact CD1-CB 4.48Å; F447-P449 HydrophobicContact CD1-CG 4.48Å; F447-P449 HydrophobicContact CE1-CB 3.79Å; F447-P449 HydrophobicContact CE1-CG 4.15Å; F447-P449 HydrophobicContact CZ-CB 4.23Å; F447-P449 WeakPolarHBondContact O-CD 3.46Å; P449-A453 VanDerWaalsContact O-CB 3.32Å; P449-A453 WeakPolarHBondContact O-CB 3.43Å; P449-A453 PolarHBondContact O-N 2.82Å
450	D	41.8	Very low	36.8	Very low	32 Å²	32	94.8 Å²	94.8	17%	0.171	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-41.4	171.2	-74.6	-47.9	0	0	0	112	K311 H424 D448 L452 A453 F454 T510	K311-D450 IonicContact NZ-OD1 3.63Å; K311-D450 PolarHBondContact NZ-OD1 3.2Å; K311-D450 IonicContact NZ-OD2 2.62Å; K311-D450 PolarHBondContact NZ-OD2 2.91Å; H424-D450 IonicContact CD2-OD2 3.45Å; D448-D450 PolarHBondContact O-N 3.01Å; D448-D450 VanDerWaalsContact O-N 3.15Å; D448-D450 WeakPolarHBondContact OD1-CB 2.88Å; D448-D450 PolarHBondContact OD1-N 3.3Å; D450-L452 VanDerWaalsContact C-N 3.28Å; D450-L452 PolarHBondContact O-N 3.42Å; D450-A453 PolarHBondContact O-N 2.89Å; D450-F454 PolarHBondContact O-N 3.05Å; D450-F454 VanDerWaalsContact O-N 3.08Å; D450-T510 VanDerWaalsContact OD1-CB 3.25Å; D450-T510 WeakPolarHBondContact OD1-CB 3.28Å; D450-T510 WeakPolarHBondContact OD1-CG2 3.14Å
451	S	46.9	Very low	36.6	Very low	52 Å²	52	97.6 Å²	97.6	36%	0.364	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-38.6	172.6	178.8	0	0	0	0	112.1	D448 F454 G455	D448-S451 PolarHBondContact O-N 2.93Å; S451-F454 CarbonylContact O-C 3.5Å; S451-G455 WeakPolarHBondContact O-CA 3.38Å; S451-G455 PolarHBondContact O-N 2.92Å
452	L	43.4	Very low	35.8	Very low	89 Å²	89	100.3 Å²	100.3	47%	0.466	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.1	-10.9	174.8	-68.8	175.1	0	0	0	114.6	F447 D448 D450	F447-L452 HydrophobicContact CD2-CD1 3.88Å; F447-L452 HydrophobicContact CE2-CD1 3.58Å; F447-L452 HydrophobicContact CZ-CD1 4.47Å; D448-L452 PolarHBondContact O-N 3.45Å; D450-L452 VanDerWaalsContact C-N 3.28Å; D450-L452 PolarHBondContact O-N 3.42Å
453	A	37.9	Very low	35.4	Very low	44 Å²	44	104.8 Å²	104.8	36%	0.364	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.1	-37.9	173.5	0	0	0	0	0	111.4	P449 D450	P449-A453 VanDerWaalsContact O-CB 3.32Å; P449-A453 WeakPolarHBondContact O-CB 3.43Å; P449-A453 PolarHBondContact O-N 2.82Å; D450-A453 PolarHBondContact O-N 2.89Å
454	F	38.7	Very low	34.9	Very low	46 Å²	46	100.1 Å²	100.1	20%	0.202	57%	0.565	C	S	.	*	S	Bend	trans	-147.6	93.2	179.3	-63.1	-71.9	0	0	0	110.1	D450 S451 E456 V504 R505 V508 T510	D450-F454 PolarHBondContact O-N 3.05Å; D450-F454 VanDerWaalsContact O-N 3.08Å; S451-F454 CarbonylContact O-C 3.5Å; F454-E456 PolarHBondContact O-N 2.91Å; F454-V504 HydrophobicContact CE1-CG1 4.01Å; F454-V504 HydrophobicContact CZ-CG1 4.37Å; F454-R505 HydrophobicContact CB-CG 3.73Å; F454-R505 HydrophobicContact CD1-CG 3.55Å; F454-R505 HydrophobicContact CD2-CG 4.34Å; F454-R505 HydrophobicContact CE1-CG 4.22Å; F454-R505 HydrophobicContact CG-CG 3.62Å; F454-R505 PolarHBondContact O-NH1 2.94Å; F454-V508 HydrophobicContact CE2-CB 4.24Å; F454-V508 HydrophobicContact CE2-CG1 4.23Å; F454-V508 HydrophobicContact CZ-CB 3.85Å; F454-V508 HydrophobicContact CZ-CG1 4Å; F454-V508 HydrophobicContact CZ-CG2 4.29Å; F454-T510 HydrophobicContact CD2-CG2 4.06Å; F454-T510 HydrophobicContact CE2-CG2 4.06Å
455	G	35.4	Very low	34.6	Very low	26 Å²	26	99.4 Å²	99.4	27%	0.268	58%	0.58	S	S	.	*			trans	-43.2	118.6	-172.7	0	0	0	0	0	114.7	S451 R505	S451-G455 WeakPolarHBondContact O-CA 3.38Å; S451-G455 PolarHBondContact O-N 2.92Å; G455-R505 VanDerWaalsContact O-CZ 3.3Å; G455-R505 PolarHBondContact O-NH1 3.38Å; G455-R505 PolarHBondContact O-NH2 2.71Å
456	E	31.8	Very low	34.2	Very low	150 Å²	150	98.5 Å²	98.5	70%	0.701	58%	0.581	S	S	*	*			trans	-100.3	136	163.5	-66.6	-173.8	145.5	0	0	108	F454 G458	F454-E456 PolarHBondContact O-N 2.91Å; E456-G458 PolarHBondContact O-N 3.18Å
457	D	37.1	Very low	33.9	Very low	158 Å²	158	93.8 Å²	93.8	85%	0.845	58%	0.575	S	S	*	*			trans	-72	86.4	-174.8	-69	-50	0	0	0	111.7
458	G	31.2	Very low	33.7	Very low	72 Å²	72	95.9 Å²	95.9	74%	0.742	60%	0.598	S	S	*	*			trans	-106.5	65.3	-165	0	0	0	0	0	116.9	E456	E456-G458 PolarHBondContact O-N 3.18Å
459	G	27	Very low	33.2	Very low	66 Å²	66	101.5 Å²	101.5	68%	0.68	62%	0.622	S	S	*	*			trans	76.3	132.4	157.5	0	0	0	0	0	117.8	Q461	G459-Q461 PolarHBondContact O-N 2.84Å
460	S	29.1	Very low	32.9	Very low	130 Å²	130	106.7 Å²	106.7	91%	0.909	65%	0.649	S	S	*	*			trans	-67.6	109.5	179	44.5	0	0	0	0	113
461	Q	28.8	Very low	32.6	Very low	169 Å²	169	114.7 Å²	114.7	79%	0.79	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-91.7	133.6	167	-62.8	-170.4	1.7	0	0	110	G459	G459-Q461 PolarHBondContact O-N 2.84Å
462	K	25.1	Very low	32.5	Very low	208 Å²	208	114.9 Å²	114.9	90%	0.904	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-83.4	124	173.8	-69.4	-172.4	175.6	-173	0	109.6	A464	K462-A464 PolarHBondContact O-N 2.88Å
463	E	25.4	Very low	32.4	Very low	199 Å²	199	116 Å²	116	93%	0.93	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-70.2	124.8	174.6	-63.7	-164.7	126.4	0	0	111.3
464	A	23.8	Very low	32.9	Very low	89 Å²	89	117.7 Å²	117.7	74%	0.736	70%	0.702	S	S	*	*			trans	-98.5	114	170.8	0	0	0	0	0	110.2	K462 V466	K462-A464 PolarHBondContact O-N 2.88Å; A464-V466 PolarHBondContact O-N 2.64Å
465	A	31.1	Very low	33.3	Very low	106 Å²	106	119 Å²	119	88%	0.876	72%	0.717	S	S	*	*			trans	-84.1	104.1	-174.7	0	0	0	0	0	112.7
466	V	28.2	Very low	34.1	Very low	126 Å²	126	121.2 Å²	121.2	76%	0.764	72%	0.723	S	S	*	*			trans	-144	138.9	172.8	-173.8	0	0	0	0	112.1	A464	A464-V466 PolarHBondContact O-N 2.64Å
467	G	26.3	Very low	35.4	Very low	60 Å²	60	116.8 Å²	116.8	62%	0.619	70%	0.704	S	S	*	*			trans	92.5	98.6	144.6	0	0	0	0	0	117.7
468	S	35.6	Very low	36.1	Very low	116 Å²	116	117.2 Å²	117.2	81%	0.811	70%	0.698	S	S	*	*			trans	-94.3	102.6	167.3	57.3	0	0	0	0	111.6
469	H	33.4	Very low	37.6	Very low	177 Å²	177	120.7 Å²	120.7	82%	0.819	70%	0.7	S	S	*	*			trans	-136	151.9	169.9	-91.5	-85.3	0	0	0	112.6
470	D	33.9	Very low	39.7	Very low	126 Å²	126	118 Å²	118	67%	0.674	67%	0.671	S	S	*	*			trans	52.2	64.7	168.4	-62.9	11.1	0	0	0	117
471	K	35.3	Very low	42.2	Very low	200 Å²	200	114.4 Å²	114.4	87%	0.87	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-64.8	127.7	151.7	-70.8	-178	179.3	177.2	0	108.5
472	P	43.3	Very low	44.8	Very low	56 Å²	56	108.5 Å²	108.5	36%	0.364	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-65.8	143.6	175.3	27.5	-34.3	0	0	0	111	A474	P472-A474 PolarHBondContact O-N 2.91Å
473	N	43.1	Very low	47.6	Very low	113 Å²	113	98.6 Å²	98.6	60%	0.604	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-53.6	127.9	179.2	-74.1	-11.9	0	0	0	111.6	S475 D476	N473-S475 PolarHBondContact O-N 3.3Å; N473-S475 VanDerWaalsContact O-N 3.12Å; N473-D476 PolarHBondContact O-N 3Å; N473-D476 VanDerWaalsContact O-N 3.17Å
474	A	47.9	Very low	50.3	Low	78 Å²	78	90.4 Å²	90.4	65%	0.645	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-9.3	-175.5	0	0	0	0	0	114.2	P472	P472-A474 PolarHBondContact O-N 2.91Å
475	S	47.4	Very low	53	Low	74 Å²	74	86.6 Å²	86.6	52%	0.517	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-55.8	167.3	46.5	0	0	0	0	111.4	N473 L477 K478	N473-S475 PolarHBondContact O-N 3.3Å; N473-S475 VanDerWaalsContact O-N 3.12Å; S475-L477 PolarHBondContact O-N 2.89Å; S475-K478 PolarHBondContact O-N 2.81Å; S475-K478 VanDerWaalsContact O-N 3.14Å
476	D	50.7	Low	55.2	Low	72 Å²	72	81.7 Å²	81.7	39%	0.385	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-14.2	-174.7	-81.6	58	0	0	0	115.1	R357 N473	R357-D476 IonicContact CZ-OD2 3.61Å; R357-D476 PolarHBondContact NH1-O 2.62Å; R357-D476 IonicContact NH1-OD2 3.57Å; R357-D476 IonicContact NH2-OD2 2.71Å; R357-D476 PolarHBondContact NH2-OD2 3.43Å; N473-D476 PolarHBondContact O-N 3Å; N473-D476 VanDerWaalsContact O-N 3.17Å
477	L	58.9	Low	57.3	Low	58 Å²	58	77.7 Å²	77.7	30%	0.304	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-11.1	-174	-152.3	66.3	0	0	0	112.9	P383 S475 W482	P383-L477 HydrophobicContact CB-CD1 4.08Å; P383-L477 HydrophobicContact CG-CD1 4.13Å; S475-L477 PolarHBondContact O-N 2.89Å; L477-W482 HydrophobicContact CD1-CH2 3.84Å; L477-W482 HydrophobicContact CD1-CZ2 4.07Å; L477-W482 HydrophobicContact CD2-CH2 4.15Å; L477-W482 HydrophobicContact CG-CH2 3.82Å; L477-W482 HydrophobicContact CG-CZ2 3.85Å
478	K	52.9	Low	59.5	Low	166 Å²	166	75.8 Å²	75.8	72%	0.722	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-43.9	178.1	-71	178.5	-179	-177.3	0	112.4	S475 A480	S475-K478 PolarHBondContact O-N 2.81Å; S475-K478 VanDerWaalsContact O-N 3.14Å; K478-A480 VanDerWaalsContact C-N 3.35Å
479	D	62.3	Low	61.5	Low	145 Å²	145	71.3 Å²	71.3	78%	0.775	38%	0.378	S	S	*	.	S	Bend	trans	-95	11.2	-178.1	-53.8	-47.9	0	0	0	113
480	A	70.4	Confident	63.4	Low	9 Å²	9	67.4 Å²	67.4	7%	0.074	36%	0.363	C	S	.	.			trans	-74.2	139.7	176.4	0	0	0	0	0	111.3	P383 K478 W482	P383-A480 HydrophobicContact CB-CB 4.24Å; K478-A480 VanDerWaalsContact C-N 3.35Å; A480-W482 PolarHBondContact O-NE1 2.97Å
481	H	82.5	Confident	65.4	Low	56 Å²	56	63.5 Å²	63.5	26%	0.259	34%	0.339	S	S	.	.			trans	-85.1	144.7	165.3	-66.8	-29.9	0	0	0	111.1	Y329 G331 I384	Y329-H481 AromaticContact CD1-CD2 3.41Å; Y329-H481 VanDerWaalsContact CD1-CD2 3.41Å; Y329-H481 WeakPolarHBondContact CD1-CD2 3.41Å; Y329-H481 HydrophobicContact CE1-CB 4.12Å; Y329-H481 AromaticContact CE1-CD2 3.5Å; Y329-H481 AromaticContact CE1-CG 3.95Å; Y329-H481 HydrophobicContact CE2-CB 4.25Å; Y329-H481 AromaticContact CG-CD2 3.99Å; Y329-H481 PolarHBondContact O-CD2 3.43Å; Y329-H481 PolarHBondContact O-NE2 3.36Å; Y329-H481 PolarHBondContact OH-N 3.42Å; Y329-H481 VanDerWaalsContact OH-N 3.11Å; G331-H481 VanDerWaalsContact CA-CD2 3.49Å; G331-H481 WeakPolarHBondContact CA-CD2 3.47Å; G331-H481 PolarHBondContact N-CD2 2.89Å; I384-H481 HydrophobicContact CD1-CB 4.37Å; I384-H481 PolarHBondContact N-O 3.01Å
482	W	83.2	Confident	67.1	Low	45 Å²	45	61 Å²	61	17%	0.17	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	141	-170.6	-60.5	81	0	0	0	111.4	D332 V333 K381 F382 P383 I384 L477 A480 Y484	D332-W482 WeakPolarHBondContact CA-O 3.16Å; D332-W482 PolarHBondContact OD1-N 3.22Å; D332-W482 VanDerWaalsContact OD1-N 3.08Å; V333-W482 PolarHBondContact N-O 3.31Å; K381-W482 HydrophobicContact CB-CE3 4Å; K381-W482 HydrophobicContact CD-CE3 4.28Å; K381-W482 HydrophobicContact CG-CE3 3.75Å; K381-W482 HydrophobicContact CG-CZ3 4.08Å; F382-W482 VanDerWaalsContact C-CE3 3.45Å; F382-W482 WeakPolarHBondContact O-CA 3.43Å; P383-W482 HydrophobicContact CB-CE3 4.38Å; P383-W482 HydrophobicContact CB-CH2 4.38Å; P383-W482 HydrophobicContact CB-CZ3 4.22Å; P383-W482 HydrophobicContact CG-CZ3 4.38Å; I384-W482 VanDerWaalsContact CD1-C 3.49Å; L477-W482 HydrophobicContact CD1-CH2 3.84Å; L477-W482 HydrophobicContact CD1-CZ2 4.07Å; L477-W482 HydrophobicContact CD2-CH2 4.15Å; L477-W482 HydrophobicContact CG-CH2 3.82Å; L477-W482 HydrophobicContact CG-CZ2 3.85Å; A480-W482 PolarHBondContact O-NE1 2.97Å; W482-Y484 HydrophobicContact CB-CD2 4.22Å; W482-Y484 HydrophobicContact CB-CE1 4.43Å; W482-Y484 HydrophobicContact CB-CE2 3.61Å
483	L	84.4	Confident	68.9	Low	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131	158.2	-176.4	146.9	0	0	0	108.1	L238 V333 L335 F347 L350 Y355 K381 F382 I384	L238-L483 HydrophobicContact CD1-CD1 4.05Å; V333-L483 HydrophobicContact CB-CB 4.4Å; V333-L483 HydrophobicContact CB-CD1 4.37Å; V333-L483 HydrophobicContact CB-CG 4.35Å; V333-L483 HydrophobicContact CG1-CD1 3.99Å; V333-L483 HydrophobicContact CG1-CG 4.37Å; V333-L483 CarbonylContact O-C 3.57Å; V333-L483 VanDerWaalsContact O-CA 3.29Å; V333-L483 WeakPolarHBondContact O-CA 3.42Å; L335-L483 HydrophobicContact CD1-CD2 3.72Å; L335-L483 HydrophobicContact CG-CD1 4.46Å; L335-L483 HydrophobicContact CG-CD2 4.02Å; F347-L483 HydrophobicContact CD2-CD2 3.56Å; F347-L483 HydrophobicContact CE2-CD2 3.85Å; L350-L483 HydrophobicContact CD1-CD1 4.03Å; Y355-L483 HydrophobicContact CD1-CD1 4.39Å; Y355-L483 HydrophobicContact CE1-CB 4.37Å; Y355-L483 HydrophobicContact CE1-CD1 3.74Å; K381-L483 CarbonylContact C-O 3.42Å; K381-L483 WeakPolarHBondContact CA-O 3.46Å; F382-L483 HydrophobicContact CD1-CD2 4.25Å; F382-L483 HydrophobicContact CD2-CB 4.33Å; F382-L483 HydrophobicContact CE1-CB 4.2Å; F382-L483 HydrophobicContact CE1-CD2 3.64Å; F382-L483 HydrophobicContact CE1-CG 4.33Å; F382-L483 HydrophobicContact CE2-CB 3.9Å; F382-L483 HydrophobicContact CZ-CB 3.82Å; F382-L483 HydrophobicContact CZ-CD1 4.04Å; F382-L483 HydrophobicContact CZ-CD2 3.93Å; F382-L483 HydrophobicContact CZ-CG 4.14Å; F382-L483 PolarHBondContact N-O 3.49Å; F382-L483 PolarHBondContact O-N 3.48Å; I384-L483 HydrophobicContact CD1-CB 4.23Å; I384-L483 HydrophobicContact CG1-CB 4.1Å
484	Y	80.9	Confident	70.8	Confident	26 Å²	26	60.1 Å²	60.1	10%	0.102	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.1	175.3	-58.2	-95	0	0	0	110.8	R233 D332 V333 F334 L335 L379 L380 K381 W482	R233-Y484 PolarHBondContact NH1-OH 2.85Å; D332-Y484 HydrophobicContact CB-CE2 3.99Å; D332-Y484 WeakPolarHBondContact OD2-CE2 3.31Å; V333-Y484 PolarHBondContact O-N 2.99Å; F334-Y484 AromaticContact CD1-CD2 3.97Å; F334-Y484 HydrophobicContact CD1-CD2 3.97Å; F334-Y484 HydrophobicContact CD1-CG 4.07Å; F334-Y484 HydrophobicContact CD2-CD2 4.46Å; F334-Y484 HydrophobicContact CE1-CD1 4.4Å; F334-Y484 AromaticContact CE1-CD2 3.42Å; F334-Y484 HydrophobicContact CE1-CD2 3.42Å; F334-Y484 VanDerWaalsContact CE1-CD2 3.42Å; F334-Y484 HydrophobicContact CE1-CE2 4.06Å; F334-Y484 AromaticContact CE1-CG 3.63Å; F334-Y484 HydrophobicContact CE1-CG 3.63Å; F334-Y484 AromaticContact CE2-CD2 3.97Å; F334-Y484 HydrophobicContact CE2-CD2 3.97Å; F334-Y484 HydrophobicContact CE2-CE2 4.26Å; F334-Y484 HydrophobicContact CG-CD2 4.45Å; F334-Y484 AromaticContact CZ-CD2 3.4Å; F334-Y484 HydrophobicContact CZ-CD2 3.4Å; F334-Y484 VanDerWaalsContact CZ-CD2 3.4Å; F334-Y484 AromaticContact CZ-CE2 3.65Å; F334-Y484 HydrophobicContact CZ-CE2 3.65Å; F334-Y484 HydrophobicContact CZ-CG 4.1Å; L335-Y484 PolarHBondContact N-O 3.49Å; L379-Y484 HydrophobicContact CB-CD1 3.87Å; L379-Y484 HydrophobicContact CD1-CD1 4.25Å; L379-Y484 HydrophobicContact CD1-CG 4.47Å; L380-Y484 CarbonylContact O-C 3.58Å; L380-Y484 VanDerWaalsContact O-CA 3.3Å; L380-Y484 WeakPolarHBondContact O-CA 3.32Å; K381-Y484 HydrophobicContact CB-CD1 3.65Å; K381-Y484 HydrophobicContact CB-CE1 3.92Å; K381-Y484 HydrophobicContact CB-CG 4.33Å; K381-Y484 HydrophobicContact CD-CD1 4.3Å; K381-Y484 HydrophobicContact CD-CE1 3.83Å; K381-Y484 HydrophobicContact CG-CE1 4.49Å; W482-Y484 HydrophobicContact CB-CD2 4.22Å; W482-Y484 HydrophobicContact CB-CE1 4.43Å; W482-Y484 HydrophobicContact CB-CE2 3.61Å
485	D	81.8	Confident	72.6	Confident	10 Å²	10	56.6 Å²	56.6	5%	0.053	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.6	162	-161.5	21.3	0	0	0	109.2	L335 K343 S344 F347 L380	L335-D485 HydrophobicContact CD1-CB 4.33Å; K343-D485 WeakPolarHBondContact CB-OD1 3.42Å; S344-D485 WeakPolarHBondContact CB-OD2 3.39Å; S344-D485 PolarHBondContact OG-OD2 2.94Å; F347-D485 HydrophobicContact CD2-CB 3.77Å; F347-D485 HydrophobicContact CE2-CB 4.14Å; F347-D485 HydrophobicContact CG-CB 4.28Å; L380-D485 HydrophobicContact CB-CB 4.45Å; L380-D485 PolarHBondContact O-N 2.96Å
486	T	77	Confident	74.4	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.018	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-91.5	154.6	167.1	76.6	0	0	0	0	110.3	Y223 F334 L335 V336 K343 L379	Y223-T486 PolarHBondContact OH-OG1 2.85Å; F334-T486 HydrophobicContact CD1-CG2 4.38Å; L335-T486 WeakPolarHBondContact O-CG2 3.5Å; L335-T486 PolarHBondContact O-N 3.5Å; L335-T486 PolarHBondContact O-OG1 3.45Å; V336-T486 HydrophobicContact CG2-CG2 4.27Å; K343-T486 WeakPolarHBondContact CE-O 3.48Å; L379-T486 HydrophobicContact CD2-CG2 4.48Å
487	P	72.2	Confident	75.9	Confident	41 Å²	41	55.4 Å²	55.4	27%	0.266	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-55.6	165.8	167.6	-20.5	30.4	0	0	0	111.7	Y223 K343	Y223-P487 HydrophobicContact CD2-CB 3.82Å; Y223-P487 HydrophobicContact CD2-CG 4.24Å; Y223-P487 HydrophobicContact CE2-CB 3.67Å; Y223-P487 HydrophobicContact CE2-CG 4.13Å; Y223-P487 VanDerWaalsContact CE2-O 3.23Å; Y223-P487 WeakPolarHBondContact CE2-O 3.46Å; Y223-P487 PolarHBondContact OH-O 3.2Å; Y223-P487 VanDerWaalsContact OH-O 3.05Å; K343-P487 WeakPolarHBondContact CE-O 3.4Å; K343-P487 PolarHBondContact NZ-O 3.05Å
488	G	73.1	Confident	77.2	Confident	21 Å²	21	54.6 Å²	54.6	22%	0.216	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-76.1	138.1	176.2	0	0	0	0	0	112.6	G338 L490	G338-G488 WeakPolarHBondContact O-CA 3.17Å; G488-L490 PolarHBondContact O-N 2.79Å
489	I	76.6	Confident	78.7	Confident	21 Å²	21	47.6 Å²	47.6	11%	0.108	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-68.4	117.7	165	-31.5	-151.4	0	0	0	107.9	Y223 V251 L257 G337 G338 A339	Y223-I489 HydrophobicContact CD1-CG2 4.16Å; Y223-I489 HydrophobicContact CE1-CB 3.91Å; Y223-I489 HydrophobicContact CE1-CD1 3.84Å; Y223-I489 HydrophobicContact CE1-CG1 3.51Å; Y223-I489 HydrophobicContact CE1-CG2 3.9Å; V251-I489 HydrophobicContact CB-CD1 4.22Å; V251-I489 HydrophobicContact CG1-CD1 3.61Å; V251-I489 HydrophobicContact CG2-CD1 3.51Å; V251-I489 HydrophobicContact CG2-CG1 4.13Å; L257-I489 HydrophobicContact CD1-CD1 4.05Å; G337-I489 WeakPolarHBondContact O-CG1 3.4Å; G337-I489 PolarHBondContact O-N 2.58Å; G338-I489 CarbonylContact C-O 3.58Å; G338-I489 VanDerWaalsContact CA-O 3.29Å; G338-I489 WeakPolarHBondContact CA-O 3.29Å; A339-I489 PolarHBondContact N-O 3.32Å
490	L	74.1	Confident	79.7	Confident	96 Å²	96	45.4 Å²	45.4	50%	0.503	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-69.2	135.3	165.8	-66.1	173.5	0	0	0	108.8	A339 G488	A339-L490 HydrophobicContact CB-CD2 4.04Å; G488-L490 PolarHBondContact O-N 2.79Å
491	R	74.8	Confident	80	Confident	43 Å²	43	51.3 Å²	51.3	16%	0.162	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-91.9	155.1	-180	-60.4	-179.2	-68.2	177.2	-2.2	110.3	D245 G248 D494 Q497 S615	D245-R491 IonicContact OD2-CZ 3.63Å; D245-R491 IonicContact OD2-NH1 3.32Å; D245-R491 PolarHBondContact OD2-NH1 3.47Å; D245-R491 IonicContact OD2-NH2 3.59Å; G248-R491 WeakPolarHBondContact O-CD 3.47Å; G248-R491 PolarHBondContact O-NH1 3.16Å; R491-D494 HydrophobicContact CB-CB 4.31Å; R491-D494 IonicContact CZ-OD2 3.2Å; R491-D494 VanDerWaalsContact CZ-OD2 3.23Å; R491-D494 IonicContact NE-OD2 2.71Å; R491-D494 PolarHBondContact NE-OD2 2.82Å; R491-D494 IonicContact NH2-OD1 2.72Å; R491-D494 PolarHBondContact NH2-OD1 3.09Å; R491-D494 VanDerWaalsContact NH2-OD1 3.09Å; R491-D494 IonicContact NH2-OD2 3.18Å; R491-D494 PolarHBondContact NH2-OD2 2.89Å; R491-Q497 PolarHBondContact O-NE2 3.46Å; R491-S615 PolarHBondContact NH2-OG 3.45Å
492	E	72.6	Confident	79.8	Confident	147 Å²	147	56.2 Å²	56.2	69%	0.687	27%	0.271	S	S	*	.	S	Bend	trans	-75.4	-29.7	-177	-60.4	177.3	168.5	0	0	113.8	R220	R220-E492 IonicContact CZ-OE1 3.89Å; R220-E492 IonicContact NH1-OE1 3.92Å; R220-E492 PolarHBondContact NH1-OE1 2.8Å
493	R	80.9	Confident	79.9	Confident	146 Å²	146	54.3 Å²	54.3	55%	0.551	26%	0.264	S	S	*	.	S	Bend	trans	-128.9	68.1	-174.8	-61	-170.5	-178.4	-154.4	-3.2	111.8	S614 A638 G640	R493-S614 WeakPolarHBondContact O-CB 3.24Å; R493-S614 PolarHBondContact O-OG 3.28Å; R493-A638 CarbonylContact C-O 3.59Å; R493-A638 VanDerWaalsContact CA-O 3.25Å; R493-A638 WeakPolarHBondContact CA-O 3.5Å; R493-G640 PolarHBondContact O-N 2.88Å
494	D	82.4	Confident	79.8	Confident	5 Å²	5	55 Å²	55	3%	0.027	27%	0.268	C	S	.	.			trans	-113.3	122	-173.4	-158.8	-28	0	0	0	111.2	R491 L496 Q497	R491-D494 HydrophobicContact CB-CB 4.31Å; R491-D494 IonicContact CZ-OD2 3.2Å; R491-D494 VanDerWaalsContact CZ-OD2 3.23Å; R491-D494 IonicContact NE-OD2 2.71Å; R491-D494 PolarHBondContact NE-OD2 2.82Å; R491-D494 IonicContact NH2-OD1 2.72Å; R491-D494 PolarHBondContact NH2-OD1 3.09Å; R491-D494 VanDerWaalsContact NH2-OD1 3.09Å; R491-D494 IonicContact NH2-OD2 3.18Å; R491-D494 PolarHBondContact NH2-OD2 2.89Å; D494-L496 PolarHBondContact O-N 3.36Å; D494-L496 WeakPolarHBondContact OD1-CB 3.46Å; D494-L496 WeakPolarHBondContact OD1-CG 3.24Å; D494-L496 PolarHBondContact OD1-N 2.77Å; D494-L496 VanDerWaalsContact OD1-N 3.1Å; D494-Q497 HydrophobicContact CB-CG 4.13Å; D494-Q497 PolarHBondContact O-N 2.76Å; D494-Q497 VanDerWaalsContact O-N 3.13Å
495	I	85.9	Confident	79.9	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-63.1	-26.3	178.4	-148.6	167.3	0	0	0	111.4	Q497 L498 L499 L531 S614 A616 P636 A639	I495-Q497 PolarHBondContact O-N 2.82Å; I495-L498 PolarHBondContact O-N 3.23Å; I495-L499 HydrophobicContact CG1-CD1 4.48Å; I495-L499 HydrophobicContact CG2-CD1 4.21Å; I495-L499 WeakPolarHBondContact O-CG 3.34Å; I495-L531 HydrophobicContact CD1-CB 3.96Å; I495-L531 HydrophobicContact CD1-CD1 4.4Å; I495-L531 HydrophobicContact CD1-CD2 3.92Å; I495-L531 HydrophobicContact CD1-CG 4.31Å; I495-L531 HydrophobicContact CG1-CD2 4.48Å; I495-S614 WeakPolarHBondContact CG2-O 3.14Å; I495-A616 HydrophobicContact CG2-CB 4.23Å; I495-P636 HydrophobicContact CD1-CG 4.49Å; I495-A639 HydrophobicContact CB-CB 3.76Å; I495-A639 HydrophobicContact CD1-CB 4.24Å; I495-A639 HydrophobicContact CG1-CB 3.74Å
496	L	84.4	Confident	80	Confident	18 Å²	18	58.6 Å²	58.6	9%	0.094	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-70.1	-9.8	-179.5	-54.3	-177.3	0	0	0	113.3	N340 D494 V504 V507 V508	N340-L496 HydrophobicContact CB-CD1 4.44Å; N340-L496 WeakPolarHBondContact ND2-CD1 3.36Å; D494-L496 PolarHBondContact O-N 3.36Å; D494-L496 WeakPolarHBondContact OD1-CB 3.46Å; D494-L496 WeakPolarHBondContact OD1-CG 3.24Å; D494-L496 PolarHBondContact OD1-N 2.77Å; D494-L496 VanDerWaalsContact OD1-N 3.1Å; L496-V504 HydrophobicContact CD2-CG1 4.41Å; L496-V504 HydrophobicContact CD2-CG2 4.48Å; L496-V507 HydrophobicContact CD2-CB 4.49Å; L496-V507 HydrophobicContact CD2-CG1 4.04Å; L496-V508 HydrophobicContact CD1-CG2 3.85Å; L496-V508 HydrophobicContact CD2-CG2 3.8Å
497	Q	83.3	Confident	80.5	Confident	104 Å²	104	58.5 Å²	58.5	49%	0.486	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-89.9	-14.4	171.7	-67	171.1	26.5	0	0	112.7	R491 D494 I495	R491-Q497 PolarHBondContact O-NE2 3.46Å; D494-Q497 HydrophobicContact CB-CG 4.13Å; D494-Q497 PolarHBondContact O-N 2.76Å; D494-Q497 VanDerWaalsContact O-N 3.13Å; I495-Q497 PolarHBondContact O-N 2.82Å
498	L	85.1	Confident	81.2	Confident	40 Å²	40	57.3 Å²	57.3	21%	0.209	28%	0.277	C	S	.	.	S	Bend	trans	-94.6	2.6	177.8	-53.5	177.1	0	0	0	112.5	I495 R585 F589 P590 P636 A638 A639	I495-L498 PolarHBondContact O-N 3.23Å; L498-R585 PolarHBondContact O-NH2 3.23Å; L498-F589 HydrophobicContact CB-CD2 4.48Å; L498-F589 HydrophobicContact CB-CE2 3.95Å; L498-P590 HydrophobicContact CD1-CG 3.79Å; L498-P590 HydrophobicContact CD2-CG 4.13Å; L498-P590 HydrophobicContact CG-CG 4.47Å; L498-P636 HydrophobicContact CD1-CB 4.16Å; L498-P636 HydrophobicContact CD1-CG 4.23Å; L498-A638 HydrophobicContact CD1-CB 4.11Å; L498-A638 HydrophobicContact CD2-CB 4Å; L498-A639 HydrophobicContact CD1-CB 3.9Å
499	L	84.7	Confident	81.9	Confident	19 Å²	19	57 Å²	57	10%	0.099	27%	0.271	C	S	.	.	S	Bend	trans	-125.5	143.9	-167.4	-67.4	176.9	0	0	0	111.6	I495 E503 V504 V507 L531 V578 P579 F589	I495-L499 HydrophobicContact CG1-CD1 4.48Å; I495-L499 HydrophobicContact CG2-CD1 4.21Å; I495-L499 WeakPolarHBondContact O-CG 3.34Å; L499-E503 VanDerWaalsContact CA-OE2 3.28Å; L499-E503 WeakPolarHBondContact CA-OE2 3.42Å; L499-E503 HydrophobicContact CB-CB 4.04Å; L499-E503 HydrophobicContact CD2-CB 4.08Å; L499-E503 VanDerWaalsContact CD2-OE2 3.31Å; L499-E503 WeakPolarHBondContact CD2-OE2 3.26Å; L499-E503 HydrophobicContact CG-CB 4.47Å; L499-V504 HydrophobicContact CB-CG2 3.81Å; L499-V507 HydrophobicContact CD1-CB 4.43Å; L499-V507 HydrophobicContact CD1-CG2 3.87Å; L499-L531 HydrophobicContact CD1-CD2 4.22Å; L499-L531 HydrophobicContact CD2-CD2 3.83Å; L499-V578 HydrophobicContact CD2-CG1 4.32Å; L499-P579 HydrophobicContact CD2-CG 4.19Å; L499-F589 HydrophobicContact CD2-CE2 3.95Å
500	E	83.3	Confident	82.1	Confident	100 Å²	100	57.4 Å²	57.4	47%	0.467	27%	0.274	S	S	.	.			trans	-78.8	159.1	176.2	-60.5	-178	-167.3	0	0	111.1	Q502 E503 V504 R585	E500-Q502 PolarHBondContact O-N 3.37Å; E500-E503 HydrophobicContact CB-CG 4.37Å; E500-E503 PolarHBondContact N-OE2 2.73Å; E500-E503 WeakPolarHBondContact O-CA 3.4Å; E500-E503 WeakPolarHBondContact O-CB 3.43Å; E500-E503 PolarHBondContact O-N 3.32Å; E500-V504 WeakPolarHBondContact O-CG2 3.48Å; E500-V504 PolarHBondContact O-N 3Å; E500-R585 VanDerWaalsContact OE1-CD 3.31Å; E500-R585 WeakPolarHBondContact OE1-CD 3.35Å; E500-R585 IonicContact OE1-NE 3Å
501	D	76.6	Confident	82.7	Confident	132 Å²	132	59.2 Å²	59.2	71%	0.706	27%	0.274	S	S	*	.	H	α-helix	trans	-53	-34.6	-174.8	-78	-27	0	0	0	114.1	R505	D501-R505 WeakPolarHBondContact O-CD 3.3Å; D501-R505 WeakPolarHBondContact O-CG 3.39Å; D501-R505 PolarHBondContact O-N 3.42Å; D501-R505 VanDerWaalsContact O-N 3.13Å
502	Q	78.5	Confident	83.3	Confident	160 Å²	160	57.5 Å²	57.5	75%	0.748	27%	0.27	S	S	*	.	H	α-helix	trans	-71.1	-35	177	-59.9	-170.7	18.9	0	0	112.3	E500 S506	E500-Q502 PolarHBondContact O-N 3.37Å; Q502-S506 PolarHBondContact O-N 2.94Å
503	E	84.5	Confident	84.2	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.019	24%	0.239	C	C	.	.	H	α-helix	trans	-74	-42.2	177.6	-58.8	173.9	147.6	0	0	110.3	L499 E500 R505 S506 V507 V578 P579 A580 R585	L499-E503 VanDerWaalsContact CA-OE2 3.28Å; L499-E503 WeakPolarHBondContact CA-OE2 3.42Å; L499-E503 HydrophobicContact CB-CB 4.04Å; L499-E503 HydrophobicContact CD2-CB 4.08Å; L499-E503 VanDerWaalsContact CD2-OE2 3.31Å; L499-E503 WeakPolarHBondContact CD2-OE2 3.26Å; L499-E503 HydrophobicContact CG-CB 4.47Å; E500-E503 HydrophobicContact CB-CG 4.37Å; E500-E503 PolarHBondContact N-OE2 2.73Å; E500-E503 WeakPolarHBondContact O-CA 3.4Å; E500-E503 WeakPolarHBondContact O-CB 3.43Å; E500-E503 PolarHBondContact O-N 3.32Å; E503-R505 VanDerWaalsContact C-N 3.31Å; E503-R505 PolarHBondContact O-N 3.1Å; E503-S506 PolarHBondContact O-N 2.8Å; E503-V507 WeakPolarHBondContact O-CG2 3.4Å; E503-V507 PolarHBondContact O-N 2.92Å; E503-V578 HydrophobicContact CB-CG1 3.9Å; E503-V578 HydrophobicContact CG-CG1 4.31Å; E503-P579 WeakPolarHBondContact OE1-CA 3.41Å; E503-P579 WeakPolarHBondContact OE1-CB 3.46Å; E503-A580 HydrophobicContact CG-CB 4.33Å; E503-A580 PolarHBondContact OE1-N 3.35Å; E503-R585 IonicContact OE1-CZ 2.72Å; E503-R585 IonicContact OE1-NE 3.69Å; E503-R585 PolarHBondContact OE1-NE 3.29Å; E503-R585 IonicContact OE1-NH2 3.88Å; E503-R585 IonicContact OE2-CZ 2.73Å; E503-R585 IonicContact OE2-NE 3.25Å; E503-R585 PolarHBondContact OE2-NE 3.09Å; E503-R585 IonicContact OE2-NH2 3.71Å; E503-R585 PolarHBondContact OE2-NH2 2.81Å
504	V	83.9	Confident	84.7	Confident	14 Å²	14	45.6 Å²	45.6	9%	0.085	22%	0.223	C	C	.	.	H	α-helix	trans	-57.6	-42.8	174.1	174	0	0	0	0	111.1	F454 L496 L499 E500 S506 V507 V508	F454-V504 HydrophobicContact CE1-CG1 4.01Å; F454-V504 HydrophobicContact CZ-CG1 4.37Å; L496-V504 HydrophobicContact CD2-CG1 4.41Å; L496-V504 HydrophobicContact CD2-CG2 4.48Å; L499-V504 HydrophobicContact CB-CG2 3.81Å; E500-V504 WeakPolarHBondContact O-CG2 3.48Å; E500-V504 PolarHBondContact O-N 3Å; V504-S506 VanDerWaalsContact C-N 3.26Å; V504-S506 PolarHBondContact O-N 2.8Å; V504-V507 PolarHBondContact O-N 3.17Å; V504-V508 HydrophobicContact CG1-CG2 3.94Å; V504-V508 WeakPolarHBondContact O-CB 3.41Å; V504-V508 WeakPolarHBondContact O-CG2 3.42Å; V504-V508 PolarHBondContact O-N 3.46Å
505	R	82.2	Confident	85.2	Confident	83 Å²	83	45.4 Å²	45.4	31%	0.313	22%	0.222	S	C	.	.	H	α-helix	trans	-57.1	-35.1	173.1	-76.5	168.7	-170.9	-122.1	5.2	113.4	F454 G455 D501 E503	F454-R505 HydrophobicContact CB-CG 3.73Å; F454-R505 HydrophobicContact CD1-CG 3.55Å; F454-R505 HydrophobicContact CD2-CG 4.34Å; F454-R505 HydrophobicContact CE1-CG 4.22Å; F454-R505 HydrophobicContact CG-CG 3.62Å; F454-R505 PolarHBondContact O-NH1 2.94Å; G455-R505 VanDerWaalsContact O-CZ 3.3Å; G455-R505 PolarHBondContact O-NH1 3.38Å; G455-R505 PolarHBondContact O-NH2 2.71Å; D501-R505 WeakPolarHBondContact O-CD 3.3Å; D501-R505 WeakPolarHBondContact O-CG 3.39Å; D501-R505 PolarHBondContact O-N 3.42Å; D501-R505 VanDerWaalsContact O-N 3.13Å; E503-R505 VanDerWaalsContact C-N 3.31Å; E503-R505 PolarHBondContact O-N 3.1Å
506	S	84.9	Confident	85.5	Confident	30 Å²	30	47.5 Å²	47.5	21%	0.21	23%	0.229	C	C	.	.	H	α-helix	trans	-83.1	-33.7	178.6	-67.4	0	0	0	0	113.4	Q502 E503 V504 S550 Q552	Q502-S506 PolarHBondContact O-N 2.94Å; E503-S506 PolarHBondContact O-N 2.8Å; V504-S506 VanDerWaalsContact C-N 3.26Å; V504-S506 PolarHBondContact O-N 2.8Å; S506-S550 WeakPolarHBondContact O-CB 3.38Å; S506-S550 PolarHBondContact O-OG 3.36Å; S506-Q552 PolarHBondContact OG-OE1 3.21Å
507	V	87	Confident	86	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-76.9	-46.4	-179.5	174	0	0	0	0	112.1	L496 L499 E503 V504 P509 L531 S550 V553 V578 A616	L496-V507 HydrophobicContact CD2-CB 4.49Å; L496-V507 HydrophobicContact CD2-CG1 4.04Å; L499-V507 HydrophobicContact CD1-CB 4.43Å; L499-V507 HydrophobicContact CD1-CG2 3.87Å; E503-V507 WeakPolarHBondContact O-CG2 3.4Å; E503-V507 PolarHBondContact O-N 2.92Å; V504-V507 PolarHBondContact O-N 3.17Å; V507-P509 WeakPolarHBondContact O-CD 3.43Å; V507-L531 HydrophobicContact CG2-CD1 3.74Å; V507-S550 WeakPolarHBondContact O-CB 3.29Å; V507-V553 HydrophobicContact CG2-CG2 4.12Å; V507-V578 HydrophobicContact CG2-CG1 3.76Å; V507-A616 HydrophobicContact CG1-CB 3.71Å
508	V	87.2	Confident	86.6	Confident	17 Å²	17	42.9 Å²	42.9	10%	0.103	21%	0.207	C	C	.	.	S	Bend	trans	-73.2	117.9	-175.8	178.2	0	0	0	0	109.9	F454 L496 V504 T510	F454-V508 HydrophobicContact CE2-CB 4.24Å; F454-V508 HydrophobicContact CE2-CG1 4.23Å; F454-V508 HydrophobicContact CZ-CB 3.85Å; F454-V508 HydrophobicContact CZ-CG1 4Å; F454-V508 HydrophobicContact CZ-CG2 4.29Å; L496-V508 HydrophobicContact CD1-CG2 3.85Å; L496-V508 HydrophobicContact CD2-CG2 3.8Å; V504-V508 HydrophobicContact CG1-CG2 3.94Å; V504-V508 WeakPolarHBondContact O-CB 3.41Å; V504-V508 WeakPolarHBondContact O-CG2 3.42Å; V504-V508 PolarHBondContact O-N 3.46Å; V508-T510 PolarHBondContact O-N 3.08Å; V508-T510 VanDerWaalsContact O-N 3.14Å
509	P	86.4	Confident	87	Confident	13 Å²	13	41.6 Å²	41.6	8%	0.084	20%	0.201	C	C	.	.			trans	-71.5	112.7	-175.3	25.9	-32.1	0	0	0	111.9	L244 L273 V507 I513	L244-P509 HydrophobicContact CD1-CG 3.45Å; L244-P509 VanDerWaalsContact CD1-CG 3.45Å; L273-P509 HydrophobicContact CD1-CB 4.35Å; L273-P509 HydrophobicContact CD1-CG 4.09Å; L273-P509 WeakPolarHBondContact CD1-O 3.38Å; V507-P509 WeakPolarHBondContact O-CD 3.43Å; P509-I513 HydrophobicContact CB-CD1 4.14Å; P509-I513 HydrophobicContact CB-CG1 3.89Å; P509-I513 HydrophobicContact CG-CD1 3.95Å; P509-I513 HydrophobicContact CG-CG1 4.27Å
510	T	82	Confident	87.4	Confident	30 Å²	30	40.7 Å²	40.7	18%	0.184	20%	0.196	C	C	.	.			trans	-80.9	-20.1	170.2	48.5	0	0	0	0	113.2	K311 D450 F454 V508	K311-T510 PolarHBondContact NZ-O 2.85Å; D450-T510 VanDerWaalsContact OD1-CB 3.25Å; D450-T510 WeakPolarHBondContact OD1-CB 3.28Å; D450-T510 WeakPolarHBondContact OD1-CG2 3.14Å; F454-T510 HydrophobicContact CD2-CG2 4.06Å; F454-T510 HydrophobicContact CE2-CG2 4.06Å; V508-T510 PolarHBondContact O-N 3.08Å; V508-T510 VanDerWaalsContact O-N 3.14Å
511	R	85.7	Confident	87.9	Confident	134 Å²	134	41.2 Å²	41.2	51%	0.506	20%	0.197	S	C	.	.	S	Bend	trans	-127.4	151.3	-174.2	-68.2	177.5	175.7	153.8	4.6	111.5	H424 I513	H424-R511 PolarHBondContact CD2-NE 2.97Å; H424-R511 VanDerWaalsContact CD2-NE 3.31Å; H424-R511 PolarHBondContact NE2-NE 2.9Å; H424-R511 PolarHBondContact NE2-NH2 3Å; H424-R511 CarbonylContact O-C 3.55Å; H424-R511 WeakPolarHBondContact O-CA 3.18Å; R511-I513 PolarHBondContact O-N 2.91Å
512	A	88.5	Confident	88.7	Confident	8 Å²	8	37.3 Å²	37.3	7%	0.066	18%	0.179	C	C	.	.			trans	-33.1	114.5	170.6	0	0	0	0	0	113	H424 Y426 V514	H424-A512 WeakPolarHBondContact O-CB 3.49Å; H424-A512 PolarHBondContact O-N 3.48Å; Y426-A512 HydrophobicContact CD1-CB 4.49Å; Y426-A512 HydrophobicContact CD2-CB 3.66Å; Y426-A512 HydrophobicContact CE1-CB 4.39Å; Y426-A512 HydrophobicContact CE2-CB 3.58Å; Y426-A512 HydrophobicContact CG-CB 4.15Å; A512-V514 PolarHBondContact O-N 3.24Å; A512-V514 VanDerWaalsContact O-N 3.16Å
513	I	91.3	Very high	89.4	Confident	6 Å²	6	31.2 Å²	31.2	3%	0.031	16%	0.159	C	C	.	.			trans	-74.3	107.8	-175.1	-60.4	164.9	0	0	0	109	L244 L273 Y426 P509 R511 P515 L548	L244-I513 HydrophobicContact CD1-CD1 3.86Å; L244-I513 HydrophobicContact CD2-CD1 3.6Å; L244-I513 HydrophobicContact CG-CD1 4.38Å; L273-I513 HydrophobicContact CB-CD1 4.37Å; L273-I513 HydrophobicContact CB-CG1 4.5Å; L273-I513 WeakPolarHBondContact O-CB 3.32Å; L273-I513 PolarHBondContact O-N 3.06Å; Y426-I513 PolarHBondContact OH-O 3.21Å; P509-I513 HydrophobicContact CB-CD1 4.14Å; P509-I513 HydrophobicContact CB-CG1 3.89Å; P509-I513 HydrophobicContact CG-CD1 3.95Å; P509-I513 HydrophobicContact CG-CG1 4.27Å; R511-I513 PolarHBondContact O-N 2.91Å; I513-P515 WeakPolarHBondContact O-CD 3.39Å; I513-L548 HydrophobicContact CG2-CB 3.97Å; I513-L548 HydrophobicContact CG2-CG 4.48Å
514	V	90.7	Very high	90	Very high	37 Å²	37	33.3 Å²	33.3	22%	0.224	17%	0.169	C	C	.	.			trans	-85	118.1	174.4	-169.3	0	0	0	0	109	A512 R516 P668 R670	A512-V514 PolarHBondContact O-N 3.24Å; A512-V514 VanDerWaalsContact O-N 3.16Å; V514-R516 PolarHBondContact O-N 3.4Å; V514-P668 HydrophobicContact CG1-CB 3.77Å; V514-R670 HydrophobicContact CG1-CB 4.4Å; V514-R670 HydrophobicContact CG2-CB 4.29Å; V514-R670 HydrophobicContact CG2-CG 4Å
515	P	92.4	Very high	90.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.165	C	C	.	.			trans	-59.7	127.5	-178.8	-25.3	35.6	0	0	0	112.1	P275 I513 L548 V652 L655	P275-P515 HydrophobicContact CB-CG 4.35Å; P275-P515 HydrophobicContact CG-CG 3.8Å; I513-P515 WeakPolarHBondContact O-CD 3.39Å; P515-L548 HydrophobicContact CB-CG 4.42Å; P515-L548 HydrophobicContact CG-CD2 4.13Å; P515-L548 HydrophobicContact CG-CG 4.41Å; P515-V652 HydrophobicContact CB-CG2 3.84Å; P515-V652 HydrophobicContact CG-CG2 3.71Å; P515-L655 HydrophobicContact CG-CB 4.34Å; P515-L655 HydrophobicContact CG-CD1 4.14Å
516	R	93.9	Very high	91.2	Very high	47 Å²	47	28.7 Å²	28.7	18%	0.177	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	100.6	175.4	-68.5	178.9	-76.5	175.6	-3.5	108.4	V514 F518 V547 S550 V553	V514-R516 PolarHBondContact O-N 3.4Å; R516-F518 HydrophobicContact CB-CE2 3.73Å; R516-F518 HydrophobicContact CB-CZ 4.07Å; R516-F518 VanDerWaalsContact O-CD2 3.29Å; R516-F518 WeakPolarHBondContact O-CD2 3.43Å; R516-F518 WeakPolarHBondContact O-CE2 3.18Å; R516-V547 HydrophobicContact CB-CB 4.4Å; R516-V547 PolarHBondContact N-O 2.8Å; R516-V547 PolarHBondContact O-N 2.89Å; R516-S550 PolarHBondContact NH2-O 2.84Å; R516-V553 PolarHBondContact NH1-O 2.85Å; R516-V553 PolarHBondContact NH2-O 3.45Å
517	T	94.4	Very high	91.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133	-175.6	-55.9	0	0	0	0	112.2	W544 F545 S546 K656 Y666	T517-W544 HydrophobicContact CG2-CB 4.15Å; T517-W544 HydrophobicContact CG2-CG 4.29Å; T517-F545 WeakPolarHBondContact CA-O 3.27Å; T517-S546 PolarHBondContact OG1-OG 2.85Å; T517-K656 HydrophobicContact CG2-CB 4.36Å; T517-K656 HydrophobicContact CG2-CD 3.9Å; T517-Y666 WeakPolarHBondContact O-CB 3.38Å; T517-Y666 PolarHBondContact O-N 3.49Å
518	F	94.8	Very high	92.1	Very high	25 Å²	25	27.4 Å²	27.4	11%	0.11	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	155.8	178.7	-53.1	-91.1	0	0	0	110.2	R516 L520 L526 W544 F545 V547 V555 I557 A664 A665	R516-F518 HydrophobicContact CB-CE2 3.73Å; R516-F518 HydrophobicContact CB-CZ 4.07Å; R516-F518 VanDerWaalsContact O-CD2 3.29Å; R516-F518 WeakPolarHBondContact O-CD2 3.43Å; R516-F518 WeakPolarHBondContact O-CE2 3.18Å; F518-L520 HydrophobicContact CB-CD1 3.86Å; F518-L526 HydrophobicContact CD2-CD1 4.29Å; F518-W544 VanDerWaalsContact O-CA 3.3Å; F518-W544 WeakPolarHBondContact O-CA 3.44Å; F518-F545 PolarHBondContact N-O 3.35Å; F518-F545 PolarHBondContact O-N 3.41Å; F518-V547 HydrophobicContact CD2-CG2 4.24Å; F518-V547 HydrophobicContact CE2-CG2 3.99Å; F518-V555 HydrophobicContact CD2-CG1 4.34Å; F518-V555 HydrophobicContact CE1-CG1 4.36Å; F518-V555 HydrophobicContact CE2-CB 4.28Å; F518-V555 HydrophobicContact CE2-CG1 3.57Å; F518-V555 HydrophobicContact CZ-CB 4.01Å; F518-V555 HydrophobicContact CZ-CG1 3.58Å; F518-I557 HydrophobicContact CB-CD1 3.67Å; F518-I557 HydrophobicContact CD1-CD1 3.42Å; F518-I557 VanDerWaalsContact CD1-CD1 3.42Å; F518-I557 HydrophobicContact CE1-CD1 4.2Å; F518-I557 HydrophobicContact CG-CD1 3.66Å; F518-A664 CarbonylContact C-O 3.5Å; F518-A664 WeakPolarHBondContact CA-O 3.28Å; F518-A665 HydrophobicContact CD1-CB 3.64Å; F518-A665 HydrophobicContact CE1-CB 3.67Å
519	V	94	Very high	92.4	Very high	13 Å²	13	26.6 Å²	26.6	8%	0.079	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.3	170.3	168	0	0	0	0	109.1	C543 W544 A664 Y666	V519-C543 WeakPolarHBondContact CA-O 3.48Å; V519-W544 HydrophobicContact CG2-CD2 4.24Å; V519-W544 HydrophobicContact CG2-CG 3.93Å; V519-A664 PolarHBondContact N-O 3.29Å; V519-A664 WeakPolarHBondContact O-CB 3.43Å; V519-Y666 HydrophobicContact CB-CE2 4.27Å; V519-Y666 HydrophobicContact CG2-CD2 4.41Å; V519-Y666 HydrophobicContact CG2-CE2 3.47Å; V519-Y666 VanDerWaalsContact CG2-CE2 3.47Å
520	L	93.9	Very high	92.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	148.2	176.5	-80.2	72.9	0	0	0	110	F518 M524 L526 F536 S542 C543 F545 I557	F518-L520 HydrophobicContact CB-CD1 3.86Å; L520-M524 HydrophobicContact CB-CB 4.2Å; L520-M524 HydrophobicContact CB-SD 4.47Å; L520-M524 HydrophobicContact CD2-CB 4.02Å; L520-M524 HydrophobicContact CG-CB 4.11Å; L520-L526 HydrophobicContact CD2-CB 3.9Å; L520-F536 HydrophobicContact CB-CD1 4.05Å; L520-S542 CarbonylContact O-C 3.54Å; L520-S542 WeakPolarHBondContact O-CA 3.41Å; L520-S542 WeakPolarHBondContact O-CB 3.48Å; L520-C543 PolarHBondContact N-O 3.46Å; L520-C543 VanDerWaalsContact N-O 3.09Å; L520-C543 PolarHBondContact O-N 2.84Å; L520-F545 HydrophobicContact CB-CD2 3.97Å; L520-F545 HydrophobicContact CB-CE2 3.85Å; L520-F545 HydrophobicContact CD1-CB 4.38Å; L520-F545 HydrophobicContact CD1-CD2 3.9Å; L520-F545 HydrophobicContact CD1-CG 4.32Å; L520-F545 HydrophobicContact CD2-CD2 4.4Å; L520-F545 HydrophobicContact CD2-CE2 4.4Å; L520-F545 HydrophobicContact CG-CD2 4.3Å; L520-F545 HydrophobicContact CG-CE2 4.49Å; L520-I557 HydrophobicContact CD1-CD1 3.85Å
521	K	93.5	Very high	93	Very high	110 Å²	110	24.6 Å²	24.6	48%	0.478	12%	0.124	S	C	.	.			trans	-93.7	164.1	164	-66.8	-174.8	174.3	-169.9	0	109.4	M524 F536	K521-M524 HydrophobicContact CB-CG 4.17Å; K521-M524 HydrophobicContact CB-SD 3.92Å; K521-M524 HydrophobicContact CG-SD 4.38Å; K521-M524 PolarHBondContact N-SD 3.28Å; K521-M524 VanDerWaalsContact O-CB 3.29Å; K521-M524 WeakPolarHBondContact O-CB 3.4Å; K521-M524 WeakPolarHBondContact O-CG 3.09Å; K521-M524 PolarHBondContact O-N 3.06Å; K521-F536 WeakPolarHBondContact O-CD1 3.49Å
522	P	93.5	Very high	93.4	Very high	50 Å²	50	18.2 Å²	18.2	33%	0.325	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	148.8	158.9	-23.1	33.5	0	0	0	111	M524 F536 G539	P522-M524 VanDerWaalsContact C-N 3.32Å; P522-F536 CarbonylContact C-O 3.45Å; P522-F536 WeakPolarHBondContact CA-O 3.27Å; P522-F536 HydrophobicContact CG-CE1 4.21Å; P522-F536 HydrophobicContact CG-CE2 4.15Å; P522-F536 HydrophobicContact CG-CZ 3.9Å; P522-G539 WeakPolarHBondContact CG-O 3.2Å
523	G	93.6	Very high	93.7	Very high	32 Å²	32	19.6 Å²	19.6	33%	0.33	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	14.1	-173.3	0	0	0	0	0	114.6	F536 L560	G523-F536 PolarHBondContact N-O 3.49Å; G523-L560 PolarHBondContact O-N 3.1Å
524	M	95.6	Very high	94	Very high	48 Å²	48	19.3 Å²	19.3	24%	0.236	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.7	177.2	-58.1	-169.4	76.6	0	0	112.6	L520 K521 P522 F536 I557	L520-M524 HydrophobicContact CB-CB 4.2Å; L520-M524 HydrophobicContact CB-SD 4.47Å; L520-M524 HydrophobicContact CD2-CB 4.02Å; L520-M524 HydrophobicContact CG-CB 4.11Å; K521-M524 HydrophobicContact CB-CG 4.17Å; K521-M524 HydrophobicContact CB-SD 3.92Å; K521-M524 HydrophobicContact CG-SD 4.38Å; K521-M524 PolarHBondContact N-SD 3.28Å; K521-M524 VanDerWaalsContact O-CB 3.29Å; K521-M524 WeakPolarHBondContact O-CB 3.4Å; K521-M524 WeakPolarHBondContact O-CG 3.09Å; K521-M524 PolarHBondContact O-N 3.06Å; P522-M524 VanDerWaalsContact C-N 3.32Å; M524-F536 PolarHBondContact O-N 2.84Å; M524-I557 HydrophobicContact CE-CG2 3.57Å
525	T	96.4	Very high	94.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.9	178.9	-64.4	0	0	0	0	111.2	F527 R533 I534 D535 I557 T558 A563	T525-F527 HydrophobicContact CG2-CD2 3.84Å; T525-F527 HydrophobicContact CG2-CE2 3.54Å; T525-F527 HydrophobicContact CG2-CZ 4.05Å; T525-R533 HydrophobicContact CG2-CG 3.77Å; T525-I534 WeakPolarHBondContact CA-O 3.22Å; T525-D535 WeakPolarHBondContact CB-OD1 3.23Å; T525-D535 WeakPolarHBondContact CG2-OD1 3.42Å; T525-D535 PolarHBondContact OG1-OD1 3.18Å; T525-I557 VanDerWaalsContact O-CA 3.3Å; T525-I557 WeakPolarHBondContact O-CA 3.47Å; T525-T558 PolarHBondContact N-O 3.17Å; T525-T558 PolarHBondContact O-N 3.38Å; T525-T558 VanDerWaalsContact O-N 3.13Å; T525-A563 HydrophobicContact CG2-CB 3.9Å; T525-A563 WeakPolarHBondContact OG1-CB 3.27Å
526	L	96.5	Very high	94.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.6	169.8	-178	70.9	0	0	0	109.9	F518 L520 I534 F545 V547 V555 I557 V619	F518-L526 HydrophobicContact CD2-CD1 4.29Å; L520-L526 HydrophobicContact CD2-CB 3.9Å; L526-I534 HydrophobicContact CB-CB 4.39Å; L526-I534 PolarHBondContact N-O 2.84Å; L526-I534 PolarHBondContact O-N 3.27Å; L526-F545 HydrophobicContact CD2-CB 3.9Å; L526-F545 HydrophobicContact CD2-CD1 4.23Å; L526-F545 HydrophobicContact CD2-CG 4.34Å; L526-V547 HydrophobicContact CD2-CG2 3.99Å; L526-V555 HydrophobicContact CD1-CG1 3.45Å; L526-V555 VanDerWaalsContact CD1-CG1 3.45Å; L526-V555 HydrophobicContact CG-CG1 4.38Å; L526-I557 HydrophobicContact CD1-CD1 3.93Å; L526-I557 HydrophobicContact CD1-CG1 3.57Å; L526-V619 HydrophobicContact CD2-CG1 3.92Å
527	F	96	Very high	94.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.4	170.3	-75.7	-84.4	0	0	0	110.6	T525 R533 V555 H556 T558 A563 V566 Y567 L576	T525-F527 HydrophobicContact CG2-CD2 3.84Å; T525-F527 HydrophobicContact CG2-CE2 3.54Å; T525-F527 HydrophobicContact CG2-CZ 4.05Å; F527-R533 HydrophobicContact CD1-CB 3.86Å; F527-R533 HydrophobicContact CE1-CB 3.65Å; F527-R533 HydrophobicContact CE1-CG 4.09Å; F527-R533 HydrophobicContact CZ-CB 4.33Å; F527-R533 HydrophobicContact CZ-CG 4.28Å; F527-V555 WeakPolarHBondContact O-CA 3.42Å; F527-H556 HydrophobicContact CB-CB 4.23Å; F527-H556 PolarHBondContact N-O 3.07Å; F527-H556 PolarHBondContact O-N 3.33Å; F527-H556 VanDerWaalsContact O-N 3.15Å; F527-T558 HydrophobicContact CD2-CG2 4.34Å; F527-T558 HydrophobicContact CE2-CG2 3.8Å; F527-A563 HydrophobicContact CE2-CB 4.17Å; F527-A563 HydrophobicContact CZ-CB 4.15Å; F527-A563 WeakPolarHBondContact CZ-O 3.4Å; F527-V566 HydrophobicContact CE2-CG1 4.05Å; F527-Y567 HydrophobicContact CD1-CD2 4.22Å; F527-Y567 AromaticContact CE1-CD2 3.6Å; F527-Y567 HydrophobicContact CE1-CD2 3.6Å; F527-Y567 HydrophobicContact CE1-CE2 4.47Å; F527-Y567 HydrophobicContact CE1-CG 4.28Å; F527-L576 HydrophobicContact CB-CD2 3.85Å; F527-L576 HydrophobicContact CD1-CD1 4.3Å; F527-L576 HydrophobicContact CD1-CD2 4.32Å; F527-L576 HydrophobicContact CG-CD2 4.02Å
528	V	94.3	Very high	94.2	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	92	169.6	-177.8	0	0	0	0	107	L531 A532 V547 V553 L613 V619	V528-L531 PolarHBondContact O-N 2.99Å; V528-A532 PolarHBondContact N-O 3.46Å; V528-A532 PolarHBondContact O-N 2.84Å; V528-V547 HydrophobicContact CG1-CG1 4.36Å; V528-V547 HydrophobicContact CG2-CG1 4.24Å; V528-V547 HydrophobicContact CG2-CG2 4.41Å; V528-V553 HydrophobicContact CG1-CG1 4.06Å; V528-L613 HydrophobicContact CB-CD1 4.3Å; V528-L613 HydrophobicContact CG1-CD1 4.18Å; V528-V619 HydrophobicContact CG2-CG2 3.84Å
529	G	91.9	Very high	93.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-151.1	-160.1	0	0	0	0	0	113.2	L531 P554 L576	G529-L531 VanDerWaalsContact C-N 3.3Å; G529-P554 PolarHBondContact N-O 2.65Å; G529-L576 CarbonylContact C-O 3.56Å; G529-L576 WeakPolarHBondContact CA-O 3.44Å
530	A	91.4	Very high	93.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	7.1	162.5	0	0	0	0	0	112.3	Y567 A571 L576 V578	A530-Y567 HydrophobicContact CB-CE2 3.75Å; A530-Y567 WeakPolarHBondContact O-CE2 3.36Å; A530-Y567 PolarHBondContact O-OH 2.87Å; A530-A571 HydrophobicContact CB-CB 3.9Å; A530-L576 HydrophobicContact CB-CB 3.82Å; A530-L576 HydrophobicContact CB-CD1 4.18Å; A530-L576 PolarHBondContact N-O 2.89Å; A530-V578 WeakPolarHBondContact CA-O 3.49Å; A530-V578 WeakPolarHBondContact CB-O 3.24Å; A530-V578 PolarHBondContact N-O 3.48Å
531	L	91.1	Very high	93	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-34.2	179.4	-58.3	173.9	0	0	0	113	I495 L499 V507 V528 G529 V578 P579 F589 A616 P636	I495-L531 HydrophobicContact CD1-CB 3.96Å; I495-L531 HydrophobicContact CD1-CD1 4.4Å; I495-L531 HydrophobicContact CD1-CD2 3.92Å; I495-L531 HydrophobicContact CD1-CG 4.31Å; I495-L531 HydrophobicContact CG1-CD2 4.48Å; L499-L531 HydrophobicContact CD1-CD2 4.22Å; L499-L531 HydrophobicContact CD2-CD2 3.83Å; V507-L531 HydrophobicContact CG2-CD1 3.74Å; V528-L531 PolarHBondContact O-N 2.99Å; G529-L531 VanDerWaalsContact C-N 3.3Å; L531-V578 HydrophobicContact CD1-CB 4.48Å; L531-V578 HydrophobicContact CD1-CG1 4.31Å; L531-V578 HydrophobicContact CD2-CG1 4.21Å; L531-V578 HydrophobicContact CG-CG1 4.43Å; L531-P579 HydrophobicContact CD2-CG 4.4Å; L531-F589 HydrophobicContact CD2-CE2 4.47Å; L531-F589 HydrophobicContact CD2-CZ 4.1Å; L531-A616 HydrophobicContact CD1-CB 4.29Å; L531-P636 WeakPolarHBondContact O-CD 3.45Å
532	A	93.8	Very high	92.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	148.1	-179.9	0	0	0	0	0	112.7	V528 L613 H634	V528-A532 PolarHBondContact N-O 3.46Å; V528-A532 PolarHBondContact O-N 2.84Å; A532-L613 HydrophobicContact CB-CD1 3.58Å; A532-L613 HydrophobicContact CB-CD2 3.6Å; A532-L613 HydrophobicContact CB-CG 4.25Å; A532-H634 WeakPolarHBondContact CA-O 3.25Å
533	R	95.1	Very high	92.8	Very high	36 Å²	36	32.9 Å²	32.9	14%	0.136	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.9	174.5	152	178.8	176.2	-174.5	-7.7	109.1	T525 F527 D535 A563 V633 H634	T525-R533 HydrophobicContact CG2-CG 3.77Å; F527-R533 HydrophobicContact CD1-CB 3.86Å; F527-R533 HydrophobicContact CE1-CB 3.65Å; F527-R533 HydrophobicContact CE1-CG 4.09Å; F527-R533 HydrophobicContact CZ-CB 4.33Å; F527-R533 HydrophobicContact CZ-CG 4.28Å; R533-D535 WeakPolarHBondContact CG-OD1 3.32Å; R533-D535 IonicContact CZ-OD1 2.93Å; R533-D535 IonicContact CZ-OD2 2.73Å; R533-D535 VanDerWaalsContact CZ-OD2 3.25Å; R533-D535 VanDerWaalsContact NE-CG 3.32Å; R533-D535 IonicContact NE-OD1 3.99Å; R533-D535 PolarHBondContact NE-OD1 2.71Å; R533-D535 IonicContact NE-OD2 3.78Å; R533-D535 PolarHBondContact NE-OD2 2.8Å; R533-D535 IonicContact NH2-OD1 3.65Å; R533-D535 IonicContact NH2-OD2 2.7Å; R533-D535 PolarHBondContact NH2-OD2 3.13Å; R533-A563 VanDerWaalsContact CZ-CB 3.47Å; R533-V633 CarbonylContact O-C 3.51Å; R533-V633 WeakPolarHBondContact O-CA 3.47Å; R533-H634 HydrophobicContact CB-CB 3.9Å; R533-H634 HydrophobicContact CG-CB 4.1Å; R533-H634 PolarHBondContact N-O 3.39Å; R533-H634 PolarHBondContact O-N 3.29Å
534	I	96.3	Very high	92.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	109	-179.6	-58.9	166.7	0	0	0	107.8	T525 L526 F545 I611 V619 V633	T525-I534 WeakPolarHBondContact CA-O 3.22Å; L526-I534 HydrophobicContact CB-CB 4.39Å; L526-I534 PolarHBondContact N-O 2.84Å; L526-I534 PolarHBondContact O-N 3.27Å; I534-F545 HydrophobicContact CG2-CD1 4.48Å; I534-F545 HydrophobicContact CG2-CE1 3.97Å; I534-I611 HydrophobicContact CD1-CB 4.43Å; I534-I611 HydrophobicContact CD1-CD1 3.94Å; I534-I611 HydrophobicContact CD1-CG2 4.1Å; I534-I611 HydrophobicContact CG1-CD1 4.34Å; I534-I611 HydrophobicContact CG2-CD1 3.79Å; I534-V619 HydrophobicContact CD1-CB 3.86Å; I534-V619 HydrophobicContact CD1-CG1 4.28Å; I534-V619 HydrophobicContact CD1-CG2 3.61Å; I534-V633 HydrophobicContact CG1-CG1 4.3Å; I534-V633 HydrophobicContact CG1-CG2 4.33Å; I534-V633 HydrophobicContact CG2-CG2 4.42Å
535	D	96.4	Very high	92.8	Very high	2 Å²	2	31 Å²	31	1%	0.011	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.5	179.1	-64.7	-14.9	0	0	0	109.9	T525 R533 L537 L560 L631 R632 H634	T525-D535 WeakPolarHBondContact CB-OD1 3.23Å; T525-D535 WeakPolarHBondContact CG2-OD1 3.42Å; T525-D535 PolarHBondContact OG1-OD1 3.18Å; R533-D535 WeakPolarHBondContact CG-OD1 3.32Å; R533-D535 IonicContact CZ-OD1 2.93Å; R533-D535 IonicContact CZ-OD2 2.73Å; R533-D535 VanDerWaalsContact CZ-OD2 3.25Å; R533-D535 VanDerWaalsContact NE-CG 3.32Å; R533-D535 IonicContact NE-OD1 3.99Å; R533-D535 PolarHBondContact NE-OD1 2.71Å; R533-D535 IonicContact NE-OD2 3.78Å; R533-D535 PolarHBondContact NE-OD2 2.8Å; R533-D535 IonicContact NH2-OD1 3.65Å; R533-D535 IonicContact NH2-OD2 2.7Å; R533-D535 PolarHBondContact NH2-OD2 3.13Å; D535-L537 HydrophobicContact CB-CD2 4.12Å; D535-L537 PolarHBondContact O-N 2.97Å; D535-L560 HydrophobicContact CB-CD1 3.7Å; D535-L560 VanDerWaalsContact OD2-CD1 3.27Å; D535-L560 WeakPolarHBondContact OD2-CD1 3.41Å; D535-L631 CarbonylContact O-C 3.4Å; D535-L631 VanDerWaalsContact O-CA 3.28Å; D535-L631 WeakPolarHBondContact O-CA 3.47Å; D535-R632 HydrophobicContact CB-CB 4.21Å; D535-R632 PolarHBondContact N-O 2.92Å; D535-R632 PolarHBondContact O-N 3.14Å; D535-H634 IonicContact OD2-CD2 3.56Å; D535-H634 IonicContact OD2-NE2 2.72Å
536	F	95.6	Very high	92.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	97.4	173	-174.7	-174.4	0	0	0	108.7	L520 K521 P522 G523 M524 Q538 K541 C543 F545 V629 L631	L520-F536 HydrophobicContact CB-CD1 4.05Å; K521-F536 WeakPolarHBondContact O-CD1 3.49Å; P522-F536 CarbonylContact C-O 3.45Å; P522-F536 WeakPolarHBondContact CA-O 3.27Å; P522-F536 HydrophobicContact CG-CE1 4.21Å; P522-F536 HydrophobicContact CG-CE2 4.15Å; P522-F536 HydrophobicContact CG-CZ 3.9Å; G523-F536 PolarHBondContact N-O 3.49Å; M524-F536 PolarHBondContact O-N 2.84Å; F536-Q538 WeakPolarHBondContact CE2-O 3.46Å; F536-K541 WeakPolarHBondContact CZ-O 3.34Å; F536-C543 HydrophobicContact CE1-CB 4.07Å; F536-C543 HydrophobicContact CZ-CB 4.31Å; F536-F545 HydrophobicContact CB-CZ 4.3Å; F536-F545 HydrophobicContact CD1-CE2 4Å; F536-F545 HydrophobicContact CD1-CZ 4.24Å; F536-F545 HydrophobicContact CE1-CE2 4.49Å; F536-F545 HydrophobicContact CG-CZ 4.28Å; F536-V629 HydrophobicContact CD2-CG1 4.16Å; F536-V629 HydrophobicContact CE2-CG1 3.72Å; F536-V629 HydrophobicContact CE2-CG2 4.44Å; F536-V629 HydrophobicContact CZ-CG1 4.4Å; F536-L631 HydrophobicContact CB-CD2 4.05Å; F536-L631 HydrophobicContact CD2-CD2 3.74Å; F536-L631 HydrophobicContact CG-CD2 4.05Å
537	L	93.6	Very high	92.7	Very high	47 Å²	47	31 Å²	31	25%	0.246	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-67	-174.1	-59.2	-176.2	0	0	0	111.4	D535 L560 E630 R632	D535-L537 HydrophobicContact CB-CD2 4.12Å; D535-L537 PolarHBondContact O-N 2.97Å; L537-L560 HydrophobicContact CD2-CD1 4.48Å; L537-L560 HydrophobicContact CD2-CD2 3.93Å; L537-E630 HydrophobicContact CB-CB 4.42Å; L537-E630 PolarHBondContact N-O 3.35Å; L537-R632 HydrophobicContact CD1-CB 3.89Å; L537-R632 HydrophobicContact CD2-CB 4.45Å; L537-R632 HydrophobicContact CG-CB 4.17Å
538	Q	91.2	Very high	92.6	Very high	118 Å²	118	31 Å²	31	55%	0.551	15%	0.145	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.2	-175.8	-59.1	-162.6	73.4	0	0	112	F536 V629 E630	F536-Q538 WeakPolarHBondContact CE2-O 3.46Å; Q538-V629 WeakPolarHBondContact O-CA 3.32Å; Q538-E630 HydrophobicContact CB-CB 4.08Å; Q538-E630 HydrophobicContact CB-CG 4.28Å; Q538-E630 WeakPolarHBondContact CG-OE2 3.45Å; Q538-E630 PolarHBondContact N-O 3.26Å; Q538-E630 PolarHBondContact NE2-OE2 2.76Å; Q538-E630 PolarHBondContact O-N 2.74Å
539	G	86.4	Confident	92.6	Very high	24 Å²	24	31.1 Å²	31.1	25%	0.247	15%	0.146	C	C	.	.			trans	-172.6	162.7	174.4	0	0	0	0	0	110.1	P522	P522-G539 WeakPolarHBondContact CG-O 3.2Å
540	R	83.4	Confident	92.5	Very high	219 Å²	219	31.3 Å²	31.3	83%	0.826	15%	0.147	S	C	*	.	S	Bend	trans	-92.1	-20.3	-178.8	-66.3	-177.5	175.8	179.2	-1.5	112.5	E627	R540-E627 WeakPolarHBondContact CA-OE1 3.42Å; R540-E627 HydrophobicContact CB-CG 4.42Å; R540-E627 PolarHBondContact N-OE1 2.87Å
541	K	87.1	Confident	92.4	Very high	106 Å²	106	35.9 Å²	35.9	46%	0.461	18%	0.179	S	C	.	.	S	Bend	trans	-146.7	168.1	-173.1	-65.2	178.3	-178.6	170.4	0	110.2	F536 M624 E627	F536-K541 WeakPolarHBondContact CZ-O 3.34Å; K541-M624 HydrophobicContact CD-SD 3.65Å; K541-M624 PolarHBondContact NZ-SD 3.28Å; K541-E627 PolarHBondContact N-OE1 2.81Å
542	S	90.3	Very high	92.3	Very high	53 Å²	53	40.8 Å²	40.8	37%	0.371	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-75.5	128.8	174.5	61.1	0	0	0	0	111.9	L520	L520-S542 CarbonylContact O-C 3.54Å; L520-S542 WeakPolarHBondContact O-CA 3.41Å; L520-S542 WeakPolarHBondContact O-CB 3.48Å
543	C	92.1	Very high	92.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	158.8	-178.6	-69.6	0	0	0	0	111.9	V519 L520 F536 F545 A623	V519-C543 WeakPolarHBondContact CA-O 3.48Å; L520-C543 PolarHBondContact N-O 3.46Å; L520-C543 VanDerWaalsContact N-O 3.09Å; L520-C543 PolarHBondContact O-N 2.84Å; F536-C543 HydrophobicContact CE1-CB 4.07Å; F536-C543 HydrophobicContact CZ-CB 4.31Å; C543-F545 HydrophobicContact CB-CE2 3.99Å; C543-A623 VanDerWaalsContact SG-CB 3.58Å
544	W	94.1	Very high	92.1	Very high	40 Å²	40	40.7 Å²	40.7	15%	0.152	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.5	170.6	-66	-94.1	0	0	0	111	T517 F518 V519 Y604 T622 Y666	T517-W544 HydrophobicContact CG2-CB 4.15Å; T517-W544 HydrophobicContact CG2-CG 4.29Å; F518-W544 VanDerWaalsContact O-CA 3.3Å; F518-W544 WeakPolarHBondContact O-CA 3.44Å; V519-W544 HydrophobicContact CG2-CD2 4.24Å; V519-W544 HydrophobicContact CG2-CG 3.93Å; W544-Y604 AromaticContact CH2-CD1 3.58Å; W544-Y604 HydrophobicContact CH2-CD1 3.58Å; W544-Y604 AromaticContact CH2-CE1 3.73Å; W544-Y604 HydrophobicContact CH2-CE1 3.73Å; W544-Y604 AromaticContact CZ3-CD1 3.45Å; W544-Y604 HydrophobicContact CZ3-CD1 3.45Å; W544-Y604 VanDerWaalsContact CZ3-CD1 3.45Å; W544-Y604 AromaticContact CZ3-CE1 3.74Å; W544-Y604 HydrophobicContact CZ3-CE1 3.74Å; W544-T622 PolarHBondContact N-O 3.35Å; W544-T622 PolarHBondContact O-N 2.69Å; W544-Y666 AromaticContact NE1-CZ 3.75Å
545	F	95.6	Very high	92	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.2	171	-68.4	-106.2	0	0	0	107.4	T517 F518 L520 L526 I534 F536 C543 V619 V621 L631	T517-F545 WeakPolarHBondContact CA-O 3.27Å; F518-F545 PolarHBondContact N-O 3.35Å; F518-F545 PolarHBondContact O-N 3.41Å; L520-F545 HydrophobicContact CB-CD2 3.97Å; L520-F545 HydrophobicContact CB-CE2 3.85Å; L520-F545 HydrophobicContact CD1-CB 4.38Å; L520-F545 HydrophobicContact CD1-CD2 3.9Å; L520-F545 HydrophobicContact CD1-CG 4.32Å; L520-F545 HydrophobicContact CD2-CD2 4.4Å; L520-F545 HydrophobicContact CD2-CE2 4.4Å; L520-F545 HydrophobicContact CG-CD2 4.3Å; L520-F545 HydrophobicContact CG-CE2 4.49Å; L526-F545 HydrophobicContact CD2-CB 3.9Å; L526-F545 HydrophobicContact CD2-CD1 4.23Å; L526-F545 HydrophobicContact CD2-CG 4.34Å; I534-F545 HydrophobicContact CG2-CD1 4.48Å; I534-F545 HydrophobicContact CG2-CE1 3.97Å; F536-F545 HydrophobicContact CB-CZ 4.3Å; F536-F545 HydrophobicContact CD1-CE2 4Å; F536-F545 HydrophobicContact CD1-CZ 4.24Å; F536-F545 HydrophobicContact CE1-CE2 4.49Å; F536-F545 HydrophobicContact CG-CZ 4.28Å; C543-F545 HydrophobicContact CB-CE2 3.99Å; F545-V619 HydrophobicContact CB-CG1 3.96Å; F545-V619 HydrophobicContact CD1-CG1 4.02Å; F545-V621 HydrophobicContact CD1-CG2 4.02Å; F545-V621 HydrophobicContact CE1-CG1 4.37Å; F545-V621 HydrophobicContact CE1-CG2 3.95Å; F545-V621 HydrophobicContact CZ-CG1 4.44Å; F545-L631 HydrophobicContact CE1-CD1 4.02Å; F545-L631 HydrophobicContact CE1-CD2 4.14Å; F545-L631 HydrophobicContact CZ-CD1 4.33Å; F545-L631 HydrophobicContact CZ-CD2 3.78Å
546	S	95.5	Very high	91.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.1	177.8	-58.4	0	0	0	0	109.5	T517 L548 V619 A620	T517-S546 PolarHBondContact OG1-OG 2.85Å; S546-L548 WeakPolarHBondContact O-CD1 3.47Å; S546-V619 CarbonylContact O-C 3.51Å; S546-V619 WeakPolarHBondContact O-CA 3.08Å; S546-A620 PolarHBondContact N-O 3.31Å; S546-A620 PolarHBondContact O-N 2.81Å
547	V	95.7	Very high	91.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.1	178.8	-174.6	0	0	0	0	109.6	R516 F518 L526 V528 A549 V555 V619	R516-V547 HydrophobicContact CB-CB 4.4Å; R516-V547 PolarHBondContact N-O 2.8Å; R516-V547 PolarHBondContact O-N 2.89Å; F518-V547 HydrophobicContact CD2-CG2 4.24Å; F518-V547 HydrophobicContact CE2-CG2 3.99Å; L526-V547 HydrophobicContact CD2-CG2 3.99Å; V528-V547 HydrophobicContact CG1-CG1 4.36Å; V528-V547 HydrophobicContact CG2-CG1 4.24Å; V528-V547 HydrophobicContact CG2-CG2 4.41Å; V547-A549 HydrophobicContact CG1-CB 4.02Å; V547-V555 HydrophobicContact CB-CG2 4.41Å; V547-V555 HydrophobicContact CG1-CG2 4.04Å; V547-V555 HydrophobicContact CG2-CG1 4.22Å; V547-V555 HydrophobicContact CG2-CG2 4.27Å; V547-V619 HydrophobicContact CG1-CG2 4.37Å; V547-V619 HydrophobicContact CG2-CG1 4.25Å; V547-V619 HydrophobicContact CG2-CG2 4.04Å
548	L	94.1	Very high	91.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	86.6	172.7	-65.7	97.9	0	0	0	108.4	P275 I513 P515 S546 G617 W618 A620 L649 V652	P275-L548 HydrophobicContact CG-CD2 4.05Å; I513-L548 HydrophobicContact CG2-CB 3.97Å; I513-L548 HydrophobicContact CG2-CG 4.48Å; P515-L548 HydrophobicContact CB-CG 4.42Å; P515-L548 HydrophobicContact CG-CD2 4.13Å; P515-L548 HydrophobicContact CG-CG 4.41Å; S546-L548 WeakPolarHBondContact O-CD1 3.47Å; L548-G617 VanDerWaalsContact O-CA 3.27Å; L548-G617 WeakPolarHBondContact O-CA 3.39Å; L548-W618 HydrophobicContact CB-CD2 4.06Å; L548-W618 HydrophobicContact CB-CE3 4.37Å; L548-W618 HydrophobicContact CB-CH2 4.27Å; L548-W618 HydrophobicContact CB-CZ2 4.01Å; L548-W618 HydrophobicContact CB-CZ3 4.46Å; L548-W618 HydrophobicContact CD1-CZ2 4.47Å; L548-W618 HydrophobicContact CD2-CH2 4.29Å; L548-W618 HydrophobicContact CD2-CZ2 3.72Å; L548-W618 HydrophobicContact CG-CZ2 4.27Å; L548-W618 PolarHBondContact N-O 3.12Å; L548-W618 PolarHBondContact O-N 3.17Å; L548-A620 HydrophobicContact CD1-CB 4.22Å; L548-L649 HydrophobicContact CD2-CD1 4.01Å; L548-V652 HydrophobicContact CD1-CG2 3.97Å; L548-V652 HydrophobicContact CD2-CG2 4.07Å; L548-V652 HydrophobicContact CG-CG2 4.44Å
549	A	93.2	Very high	92	Very high	5 Å²	5	40.4 Å²	40.4	4%	0.041	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	165.6	179.3	0	0	0	0	0	108.8	V547 S551 A616	V547-A549 HydrophobicContact CG1-CB 4.02Å; A549-S551 PolarHBondContact O-N 2.9Å; A549-A616 VanDerWaalsContact CB-O 3.27Å; A549-A616 WeakPolarHBondContact CB-O 3.22Å
550	S	91.6	Very high	92.4	Very high	5 Å²	5	41.5 Å²	41.5	4%	0.035	21%	0.214	C	C	.	.			trans	-47.1	139.4	175.4	167.7	0	0	0	0	112.1	S506 V507 R516 Q552 V553	S506-S550 WeakPolarHBondContact O-CB 3.38Å; S506-S550 PolarHBondContact O-OG 3.36Å; V507-S550 WeakPolarHBondContact O-CB 3.29Å; R516-S550 PolarHBondContact NH2-O 2.84Å; S550-Q552 PolarHBondContact O-N 3.37Å; S550-Q552 VanDerWaalsContact O-N 3.16Å; S550-Q552 PolarHBondContact OG-N 3.42Å; S550-V553 PolarHBondContact O-N 3.21Å
551	S	88.8	Confident	92.9	Very high	96 Å²	96	37.9 Å²	37.9	67%	0.671	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.2	-179.4	59.3	0	0	0	0	113.8	A549	A549-S551 PolarHBondContact O-N 2.9Å
552	Q	88.9	Confident	93.3	Very high	104 Å²	104	39 Å²	39	49%	0.486	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-30.4	175.7	-56.3	-171.8	20	0	0	112.4	S506 S550 P554	S506-Q552 PolarHBondContact OG-OE1 3.21Å; S550-Q552 PolarHBondContact O-N 3.37Å; S550-Q552 VanDerWaalsContact O-N 3.16Å; S550-Q552 PolarHBondContact OG-N 3.42Å; Q552-P554 WeakPolarHBondContact O-CD 3.4Å
553	V	91.6	Very high	93.4	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	20%	0.198	C	C	.	.	S	Bend	trans	-67.2	118.7	175.9	179.8	0	0	0	0	108.6	V507 R516 V528 S550	V507-V553 HydrophobicContact CG2-CG2 4.12Å; R516-V553 PolarHBondContact NH1-O 2.85Å; R516-V553 PolarHBondContact NH2-O 3.45Å; V528-V553 HydrophobicContact CG1-CG1 4.06Å; S550-V553 PolarHBondContact O-N 3.21Å
554	P	92.1	Very high	93.4	Very high	33 Å²	33	38.8 Å²	38.8	21%	0.214	22%	0.217	C	C	.	.			trans	-71.7	159.8	-179.2	31.3	-35.3	0	0	0	111	G529 Q552 L576	G529-P554 PolarHBondContact N-O 2.65Å; Q552-P554 WeakPolarHBondContact O-CD 3.4Å; P554-L576 VanDerWaalsContact CG-C 3.41Å; P554-L576 WeakPolarHBondContact CG-O 3.3Å
555	V	94.1	Very high	93.4	Very high	31 Å²	31	38.7 Å²	38.7	19%	0.188	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123	176.1	177.3	0	0	0	0	108.2	F518 L526 F527 V547	F518-V555 HydrophobicContact CD2-CG1 4.34Å; F518-V555 HydrophobicContact CE1-CG1 4.36Å; F518-V555 HydrophobicContact CE2-CB 4.28Å; F518-V555 HydrophobicContact CE2-CG1 3.57Å; F518-V555 HydrophobicContact CZ-CB 4.01Å; F518-V555 HydrophobicContact CZ-CG1 3.58Å; L526-V555 HydrophobicContact CD1-CG1 3.45Å; L526-V555 VanDerWaalsContact CD1-CG1 3.45Å; L526-V555 HydrophobicContact CG-CG1 4.38Å; F527-V555 WeakPolarHBondContact O-CA 3.42Å; V547-V555 HydrophobicContact CB-CG2 4.41Å; V547-V555 HydrophobicContact CG1-CG2 4.04Å; V547-V555 HydrophobicContact CG2-CG1 4.22Å; V547-V555 HydrophobicContact CG2-CG2 4.27Å
556	H	94	Very high	93.2	Very high	46 Å²	46	39.7 Å²	39.7	21%	0.213	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.7	-177.4	-178.3	70.6	0	0	0	110.7	F527 L576	F527-H556 HydrophobicContact CB-CB 4.23Å; F527-H556 PolarHBondContact N-O 3.07Å; F527-H556 PolarHBondContact O-N 3.33Å; F527-H556 VanDerWaalsContact O-N 3.15Å; H556-L576 HydrophobicContact CB-CD2 4.06Å
557	I	94.8	Very high	93	Very high	39 Å²	39	41.7 Å²	41.7	20%	0.2	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131	-179.8	-66	173.8	0	0	0	109	F518 L520 M524 T525 L526 A664	F518-I557 HydrophobicContact CB-CD1 3.67Å; F518-I557 HydrophobicContact CD1-CD1 3.42Å; F518-I557 VanDerWaalsContact CD1-CD1 3.42Å; F518-I557 HydrophobicContact CE1-CD1 4.2Å; F518-I557 HydrophobicContact CG-CD1 3.66Å; L520-I557 HydrophobicContact CD1-CD1 3.85Å; M524-I557 HydrophobicContact CE-CG2 3.57Å; T525-I557 VanDerWaalsContact O-CA 3.3Å; T525-I557 WeakPolarHBondContact O-CA 3.47Å; L526-I557 HydrophobicContact CD1-CD1 3.93Å; L526-I557 HydrophobicContact CD1-CG1 3.57Å; I557-A664 HydrophobicContact CD1-CB 3.93Å
558	T	94.6	Very high	92.8	Very high	22 Å²	22	48.7 Å²	48.7	14%	0.135	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	175.3	179	-170.2	0	0	0	0	110.9	T525 F527 A563 V566	T525-T558 PolarHBondContact N-O 3.17Å; T525-T558 PolarHBondContact O-N 3.38Å; T525-T558 VanDerWaalsContact O-N 3.13Å; F527-T558 HydrophobicContact CD2-CG2 4.34Å; F527-T558 HydrophobicContact CE2-CG2 3.8Å; T558-A563 HydrophobicContact CG2-CB 4.08Å; T558-V566 HydrophobicContact CG2-CG2 4.48Å
559	G	94.8	Very high	92.5	Very high	23 Å²	23	57.1 Å²	57.1	24%	0.237	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	149.7	168.7	0	0	0	0	0	111.2	D561 K562 A563	G559-D561 PolarHBondContact O-N 3.08Å; G559-K562 PolarHBondContact O-N 3Å; G559-A563 PolarHBondContact O-N 2.87Å
560	L	93.9	Very high	92.3	Very high	47 Å²	47	60.2 Å²	60.2	25%	0.246	31%	0.314	C	S	.	.	H	α-helix	trans	-55	-47.8	-173	-176.5	60.2	0	0	0	112.9	G523 D535 L537 K562 A563	G523-L560 PolarHBondContact O-N 3.1Å; D535-L560 HydrophobicContact CB-CD1 3.7Å; D535-L560 VanDerWaalsContact OD2-CD1 3.27Å; D535-L560 WeakPolarHBondContact OD2-CD1 3.41Å; L537-L560 HydrophobicContact CD2-CD1 4.48Å; L537-L560 HydrophobicContact CD2-CD2 3.93Å; L560-K562 PolarHBondContact O-N 3.11Å; L560-K562 VanDerWaalsContact O-N 3.13Å; L560-A563 VanDerWaalsContact O-CB 3.25Å; L560-A563 WeakPolarHBondContact O-CB 3.46Å; L560-A563 PolarHBondContact O-N 3.35Å
561	D	94.8	Very high	92	Very high	142 Å²	142	60.3 Å²	60.3	76%	0.759	32%	0.316	S	S	*	.	H	α-helix	trans	-57.2	-26.6	177.7	-0.7	-69.6	0	0	0	113.3	G559	G559-D561 PolarHBondContact O-N 3.08Å
562	K	93.8	Very high	91.7	Very high	131 Å²	131	56.1 Å²	56.1	57%	0.57	29%	0.288	S	S	*	.	H	α-helix	trans	-98.4	-7	179.7	-61.7	-179.1	-175	176.9	0	112.7	G559 L560 A564 S565 V566	G559-K562 PolarHBondContact O-N 3Å; L560-K562 PolarHBondContact O-N 3.11Å; L560-K562 VanDerWaalsContact O-N 3.13Å; K562-A564 PolarHBondContact O-N 2.9Å; K562-S565 PolarHBondContact O-OG 3.31Å; K562-V566 VanDerWaalsContact O-CB 3.28Å; K562-V566 WeakPolarHBondContact O-CB 3.4Å; K562-V566 WeakPolarHBondContact O-CG2 3.29Å; K562-V566 PolarHBondContact O-N 3.21Å
563	A	92.9	Very high	91.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.6	-35.8	-173.8	0	0	0	0	0	113.4	T525 F527 R533 T558 G559 L560 Y567	T525-A563 HydrophobicContact CG2-CB 3.9Å; T525-A563 WeakPolarHBondContact OG1-CB 3.27Å; F527-A563 HydrophobicContact CE2-CB 4.17Å; F527-A563 HydrophobicContact CZ-CB 4.15Å; F527-A563 WeakPolarHBondContact CZ-O 3.4Å; R533-A563 VanDerWaalsContact CZ-CB 3.47Å; T558-A563 HydrophobicContact CG2-CB 4.08Å; G559-A563 PolarHBondContact O-N 2.87Å; L560-A563 VanDerWaalsContact O-CB 3.25Å; L560-A563 WeakPolarHBondContact O-CB 3.46Å; L560-A563 PolarHBondContact O-N 3.35Å; A563-Y567 PolarHBondContact O-N 2.94Å; A563-Y567 VanDerWaalsContact O-N 3.11Å
564	A	92.6	Very high	91.1	Very high	49 Å²	49	60.2 Å²	60.2	41%	0.405	32%	0.324	S	S	.	.	H	α-helix	trans	-63.4	-57.8	175.9	0	0	0	0	0	111.6	K562 V566 Y567 E568	K562-A564 PolarHBondContact O-N 2.9Å; A564-V566 VanDerWaalsContact C-N 3.28Å; A564-V566 PolarHBondContact O-N 2.9Å; A564-Y567 WeakPolarHBondContact O-CA 3.21Å; A564-Y567 WeakPolarHBondContact O-CB 3.38Å; A564-Y567 PolarHBondContact O-N 3.36Å; A564-E568 PolarHBondContact O-N 3.14Å
565	S	93.2	Very high	90.8	Very high	38 Å²	38	62 Å²	62	27%	0.266	33%	0.331	S	S	.	.	H	α-helix	trans	-66.5	-25.1	-179.4	59.1	0	0	0	0	114.2	K562 R569	K562-S565 PolarHBondContact O-OG 3.31Å; S565-R569 WeakPolarHBondContact O-CB 3.29Å; S565-R569 WeakPolarHBondContact O-CD 3.41Å; S565-R569 WeakPolarHBondContact O-CG 3.27Å; S565-R569 PolarHBondContact O-N 2.92Å
566	V	92.6	Very high	90.5	Very high	20 Å²	20	60.5 Å²	60.5	12%	0.121	32%	0.322	C	S	.	.	H	α-helix	trans	-68.1	-39.1	168.4	163	0	0	0	0	111.5	F527 T558 K562 A564 H570	F527-V566 HydrophobicContact CE2-CG1 4.05Å; T558-V566 HydrophobicContact CG2-CG2 4.48Å; K562-V566 VanDerWaalsContact O-CB 3.28Å; K562-V566 WeakPolarHBondContact O-CB 3.4Å; K562-V566 WeakPolarHBondContact O-CG2 3.29Å; K562-V566 PolarHBondContact O-N 3.21Å; A564-V566 VanDerWaalsContact C-N 3.28Å; A564-V566 PolarHBondContact O-N 2.9Å; V566-H570 VanDerWaalsContact O-CB 3.27Å; V566-H570 WeakPolarHBondContact O-CB 3.41Å; V566-H570 PolarHBondContact O-N 2.92Å
567	Y	91.6	Very high	89.5	Confident	43 Å²	43	59.3 Å²	59.3	17%	0.169	32%	0.322	C	S	.	.	H	α-helix	trans	-67.3	-52	177.3	-167.9	-105	0	0	0	111.2	F527 A530 A563 A564 R569 H570 A571 L576 M586 L592	F527-Y567 HydrophobicContact CD1-CD2 4.22Å; F527-Y567 AromaticContact CE1-CD2 3.6Å; F527-Y567 HydrophobicContact CE1-CD2 3.6Å; F527-Y567 HydrophobicContact CE1-CE2 4.47Å; F527-Y567 HydrophobicContact CE1-CG 4.28Å; A530-Y567 HydrophobicContact CB-CE2 3.75Å; A530-Y567 WeakPolarHBondContact O-CE2 3.36Å; A530-Y567 PolarHBondContact O-OH 2.87Å; A563-Y567 PolarHBondContact O-N 2.94Å; A563-Y567 VanDerWaalsContact O-N 3.11Å; A564-Y567 WeakPolarHBondContact O-CA 3.21Å; A564-Y567 WeakPolarHBondContact O-CB 3.38Å; A564-Y567 PolarHBondContact O-N 3.36Å; Y567-R569 VanDerWaalsContact C-N 3.3Å; Y567-R569 PolarHBondContact O-N 3.14Å; Y567-H570 PolarHBondContact O-N 3.3Å; Y567-A571 HydrophobicContact CD1-CB 4.42Å; Y567-A571 HydrophobicContact CD2-CB 4.28Å; Y567-A571 HydrophobicContact CE1-CB 4.24Å; Y567-A571 HydrophobicContact CE2-CB 4.13Å; Y567-A571 HydrophobicContact CG-CB 4.44Å; Y567-A571 WeakPolarHBondContact O-CB 3.12Å; Y567-A571 PolarHBondContact O-N 3.14Å; Y567-L576 HydrophobicContact CD2-CD1 3.86Å; Y567-L576 HydrophobicContact CE2-CD1 4.44Å; Y567-M586 HydrophobicContact CE1-CE 4.36Å; Y567-M586 WeakPolarHBondContact OH-CE 3.33Å; Y567-L592 HydrophobicContact CD2-CD1 4.48Å; Y567-L592 HydrophobicContact CE1-CD1 4.36Å; Y567-L592 HydrophobicContact CE2-CD1 3.62Å; Y567-L592 WeakPolarHBondContact OH-CD1 3.42Å; Y567-L592 WeakPolarHBondContact OH-CG 3.41Å
568	E	89.9	Confident	89	Confident	147 Å²	147	57.7 Å²	57.7	69%	0.687	31%	0.314	S	S	*	.	H	α-helix	trans	-54.9	-41.5	-179.9	-67.8	162.7	177	0	0	113.2	A564	A564-E568 PolarHBondContact O-N 3.14Å
569	R	88.6	Confident	88.6	Confident	176 Å²	176	56.6 Å²	56.6	66%	0.664	31%	0.308	S	S	*	.	H	α-helix	trans	-84.5	-16.7	-175.8	-65.4	173.3	-174.5	-173.6	1.1	114.1	S565 Y567	S565-R569 WeakPolarHBondContact O-CB 3.29Å; S565-R569 WeakPolarHBondContact O-CD 3.41Å; S565-R569 WeakPolarHBondContact O-CG 3.27Å; S565-R569 PolarHBondContact O-N 2.92Å; Y567-R569 VanDerWaalsContact C-N 3.3Å; Y567-R569 PolarHBondContact O-N 3.14Å
570	H	88.2	Confident	87.9	Confident	70 Å²	70	58 Å²	58	32%	0.324	32%	0.317	S	S	.	.	H	α-helix	trans	-135.3	-5.8	-167.4	-57	-43.7	0	0	0	115.9	V566 Y567 H573 L575 L576	V566-H570 VanDerWaalsContact O-CB 3.27Å; V566-H570 WeakPolarHBondContact O-CB 3.41Å; V566-H570 PolarHBondContact O-N 2.92Å; Y567-H570 PolarHBondContact O-N 3.3Å; H570-H573 PolarHBondContact O-N 3.45Å; H570-L575 HydrophobicContact CB-CB 4.11Å; H570-L575 HydrophobicContact CB-CD2 4.02Å; H570-L575 VanDerWaalsContact CD2-CD2 3.48Å; H570-L575 WeakPolarHBondContact CD2-CD2 3.38Å; H570-L576 HydrophobicContact CB-CD1 4.41Å; H570-L576 HydrophobicContact CB-CG 4.24Å; H570-L576 WeakPolarHBondContact O-CB 3.28Å
571	A	86.1	Confident	87	Confident	8 Å²	8	58.1 Å²	58.1	7%	0.066	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	144.8	163.2	0	0	0	0	0	109.8	A530 Y567 H573 L576 M586	A530-A571 HydrophobicContact CB-CB 3.9Å; Y567-A571 HydrophobicContact CD1-CB 4.42Å; Y567-A571 HydrophobicContact CD2-CB 4.28Å; Y567-A571 HydrophobicContact CE1-CB 4.24Å; Y567-A571 HydrophobicContact CE2-CB 4.13Å; Y567-A571 HydrophobicContact CG-CB 4.44Å; Y567-A571 WeakPolarHBondContact O-CB 3.12Å; Y567-A571 PolarHBondContact O-N 3.14Å; A571-H573 PolarHBondContact O-CD2 2.84Å; A571-H573 PolarHBondContact O-N 3.3Å; A571-H573 VanDerWaalsContact O-N 3.07Å; A571-L576 HydrophobicContact CB-CD1 4.48Å; A571-M586 HydrophobicContact CB-CE 3.92Å; A571-M586 HydrophobicContact CB-CG 3.8Å; A571-M586 HydrophobicContact CB-SD 3.85Å
572	G	83.4	Confident	86.5	Confident	8 Å²	8	52 Å²	52	8%	0.082	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	71.5	-10.9	-170.9	0	0	0	0	0	115.6	P579 G581 G582	G572-P579 VanDerWaalsContact CA-O 3.31Å; G572-P579 WeakPolarHBondContact CA-O 3.39Å; G572-G581 PolarHBondContact O-N 2.83Å; G572-G582 PolarHBondContact O-N 3.49Å
573	H	85.9	Confident	85.9	Confident	91 Å²	91	49.4 Å²	49.4	42%	0.421	30%	0.298	S	S	.	.	S	Bend	trans	-113.2	164.1	-176.7	-65.1	-70.6	0	0	0	112.9	H570 A571 L575 L576 G577	H570-H573 PolarHBondContact O-N 3.45Å; A571-H573 PolarHBondContact O-CD2 2.84Å; A571-H573 PolarHBondContact O-N 3.3Å; A571-H573 VanDerWaalsContact O-N 3.07Å; H573-L575 PolarHBondContact O-N 3.08Å; H573-L576 PolarHBondContact O-N 3.48Å; H573-G577 PolarHBondContact O-N 2.75Å
574	A	81.8	Confident	85.5	Confident	101 Å²	101	56.5 Å²	56.5	84%	0.835	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-18.1	-167.1	0	0	0	0	0	117.6
575	L	85.3	Confident	85.2	Confident	69 Å²	69	55.1 Å²	55.1	36%	0.361	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-38.4	176	-175.3	69.4	0	0	0	112.3	H570 H573	H570-L575 HydrophobicContact CB-CB 4.11Å; H570-L575 HydrophobicContact CB-CD2 4.02Å; H570-L575 VanDerWaalsContact CD2-CD2 3.48Å; H570-L575 WeakPolarHBondContact CD2-CD2 3.38Å; H573-L575 PolarHBondContact O-N 3.08Å
576	L	86.6	Confident	84.8	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-20	178.3	-58.6	-172.9	0	0	0	112.6	F527 G529 A530 P554 H556 Y567 H570 A571 H573 V578	F527-L576 HydrophobicContact CB-CD2 3.85Å; F527-L576 HydrophobicContact CD1-CD1 4.3Å; F527-L576 HydrophobicContact CD1-CD2 4.32Å; F527-L576 HydrophobicContact CG-CD2 4.02Å; G529-L576 CarbonylContact C-O 3.56Å; G529-L576 WeakPolarHBondContact CA-O 3.44Å; A530-L576 HydrophobicContact CB-CB 3.82Å; A530-L576 HydrophobicContact CB-CD1 4.18Å; A530-L576 PolarHBondContact N-O 2.89Å; P554-L576 VanDerWaalsContact CG-C 3.41Å; P554-L576 WeakPolarHBondContact CG-O 3.3Å; H556-L576 HydrophobicContact CB-CD2 4.06Å; Y567-L576 HydrophobicContact CD2-CD1 3.86Å; Y567-L576 HydrophobicContact CE2-CD1 4.44Å; H570-L576 HydrophobicContact CB-CD1 4.41Å; H570-L576 HydrophobicContact CB-CG 4.24Å; H570-L576 WeakPolarHBondContact O-CB 3.28Å; A571-L576 HydrophobicContact CB-CD1 4.48Å; H573-L576 PolarHBondContact O-N 3.48Å; L576-V578 PolarHBondContact O-N 3.05Å
577	G	74.5	Confident	84.4	Confident	21 Å²	21	61.5 Å²	61.5	22%	0.216	34%	0.341	C	S	.	.			trans	66.1	-26.5	152.5	0	0	0	0	0	119.4	H573 P579	H573-G577 PolarHBondContact O-N 2.75Å; G577-P579 CarbonylContact C-O 3.6Å
578	V	84.2	Confident	84.2	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.024	37%	0.368	C	S	.	.	S	Bend	trans	-147.1	122.5	174.7	-166.6	0	0	0	0	108.1	L499 E503 V507 A530 L531 L576	L499-V578 HydrophobicContact CD2-CG1 4.32Å; E503-V578 HydrophobicContact CB-CG1 3.9Å; E503-V578 HydrophobicContact CG-CG1 4.31Å; V507-V578 HydrophobicContact CG2-CG1 3.76Å; A530-V578 WeakPolarHBondContact CA-O 3.49Å; A530-V578 WeakPolarHBondContact CB-O 3.24Å; A530-V578 PolarHBondContact N-O 3.48Å; L531-V578 HydrophobicContact CD1-CB 4.48Å; L531-V578 HydrophobicContact CD1-CG1 4.31Å; L531-V578 HydrophobicContact CD2-CG1 4.21Å; L531-V578 HydrophobicContact CG-CG1 4.43Å; L576-V578 PolarHBondContact O-N 3.05Å
579	P	85.4	Confident	84.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.338	C	S	.	.	S	Bend	cis	-55.9	156.9	-3.8	-25.7	37.1	0	0	0	113.9	L499 E503 L531 G572 G577 R585 M586 F589	L499-P579 HydrophobicContact CD2-CG 4.19Å; E503-P579 WeakPolarHBondContact OE1-CA 3.41Å; E503-P579 WeakPolarHBondContact OE1-CB 3.46Å; L531-P579 HydrophobicContact CD2-CG 4.4Å; G572-P579 VanDerWaalsContact CA-O 3.31Å; G572-P579 WeakPolarHBondContact CA-O 3.39Å; G577-P579 CarbonylContact C-O 3.6Å; P579-R585 HydrophobicContact CB-CG 3.96Å; P579-M586 HydrophobicContact CB-SD 3.86Å; P579-M586 HydrophobicContact CG-SD 3.86Å; P579-F589 HydrophobicContact CB-CD2 4.48Å; P579-F589 HydrophobicContact CG-CB 4.42Å; P579-F589 HydrophobicContact CG-CD1 4.14Å; P579-F589 HydrophobicContact CG-CD2 3.46Å; P579-F589 VanDerWaalsContact CG-CD2 3.46Å; P579-F589 HydrophobicContact CG-CE1 4.25Å; P579-F589 HydrophobicContact CG-CE2 3.61Å; P579-F589 HydrophobicContact CG-CG 3.74Å; P579-F589 HydrophobicContact CG-CZ 4.01Å
580	A	79.7	Confident	84	Confident	52 Å²	52	56.2 Å²	56.2	43%	0.43	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-125.7	110.3	-172	0	0	0	0	0	110.2	E503	E503-A580 HydrophobicContact CG-CB 4.33Å; E503-A580 PolarHBondContact OE1-N 3.35Å
581	G	76.1	Confident	84.1	Confident	49 Å²	49	56.8 Å²	56.8	51%	0.505	34%	0.337	S	S	.	.	S	Bend	trans	156.1	22.5	-177.5	0	0	0	0	0	115.3	G572 R585	G572-G581 PolarHBondContact O-N 2.83Å; G581-R585 WeakPolarHBondContact O-CB 3.41Å
582	G	83.1	Confident	84.3	Confident	15 Å²	15	57.6 Å²	57.6	16%	0.155	34%	0.34	C	S	.	.	H	α-helix	trans	60.1	-156.5	-178.1	0	0	0	0	0	114	G572 E584 R585 M586	G572-G582 PolarHBondContact O-N 3.49Å; G582-E584 PolarHBondContact O-N 3.31Å; G582-R585 PolarHBondContact O-N 3.27Å; G582-M586 PolarHBondContact O-N 3.47Å
583	S	81.8	Confident	84.7	Confident	75 Å²	75	60.1 Å²	60.1	52%	0.524	35%	0.354	S	S	.	.	H	α-helix	trans	-65.9	-36.9	-172.5	-44.4	0	0	0	0	114	R585 M586 Q587	S583-R585 PolarHBondContact O-N 3.44Å; S583-M586 PolarHBondContact O-N 3.13Å; S583-M586 VanDerWaalsContact O-N 3.17Å; S583-Q587 WeakPolarHBondContact O-CG 3.49Å; S583-Q587 PolarHBondContact O-N 2.73Å
584	E	84.3	Confident	85.2	Confident	149 Å²	149	59 Å²	59	70%	0.696	36%	0.355	S	S	*	.	H	α-helix	trans	-62.4	-43.5	179.7	-64.9	179.2	-167	0	0	111.7	G582 M586 Q587	G582-E584 PolarHBondContact O-N 3.31Å; E584-M586 VanDerWaalsContact C-N 3.28Å; E584-M586 PolarHBondContact O-N 2.93Å; E584-Q587 PolarHBondContact O-N 2.76Å
585	R	86.6	Confident	85.7	Confident	20 Å²	20	58.3 Å²	58.3	8%	0.075	33%	0.334	C	S	.	.	H	α-helix	trans	-62.5	-36.7	175	174	62.4	-167.7	109.1	-11.8	112.1	L498 E500 E503 P579 G581 G582 S583 R588 F589	L498-R585 PolarHBondContact O-NH2 3.23Å; E500-R585 VanDerWaalsContact OE1-CD 3.31Å; E500-R585 WeakPolarHBondContact OE1-CD 3.35Å; E500-R585 IonicContact OE1-NE 3Å; E503-R585 IonicContact OE1-CZ 2.72Å; E503-R585 IonicContact OE1-NE 3.69Å; E503-R585 PolarHBondContact OE1-NE 3.29Å; E503-R585 IonicContact OE1-NH2 3.88Å; E503-R585 IonicContact OE2-CZ 2.73Å; E503-R585 IonicContact OE2-NE 3.25Å; E503-R585 PolarHBondContact OE2-NE 3.09Å; E503-R585 IonicContact OE2-NH2 3.71Å; E503-R585 PolarHBondContact OE2-NH2 2.81Å; P579-R585 HydrophobicContact CB-CG 3.96Å; G581-R585 WeakPolarHBondContact O-CB 3.41Å; G582-R585 PolarHBondContact O-N 3.27Å; S583-R585 PolarHBondContact O-N 3.44Å; R585-R588 PolarHBondContact O-N 3Å; R585-F589 PolarHBondContact O-N 3.19Å
586	M	85.3	Confident	86.2	Confident	30 Å²	30	59.3 Å²	59.3	15%	0.148	34%	0.34	C	S	.	.	H	α-helix	trans	-74.9	-32.5	178.8	-70.9	-54.8	-47.9	0	0	113.4	Y567 A571 P579 G582 S583 E584 R588 F589	Y567-M586 HydrophobicContact CE1-CE 4.36Å; Y567-M586 WeakPolarHBondContact OH-CE 3.33Å; A571-M586 HydrophobicContact CB-CE 3.92Å; A571-M586 HydrophobicContact CB-CG 3.8Å; A571-M586 HydrophobicContact CB-SD 3.85Å; P579-M586 HydrophobicContact CB-SD 3.86Å; P579-M586 HydrophobicContact CG-SD 3.86Å; G582-M586 PolarHBondContact O-N 3.47Å; S583-M586 PolarHBondContact O-N 3.13Å; S583-M586 VanDerWaalsContact O-N 3.17Å; E584-M586 VanDerWaalsContact C-N 3.28Å; E584-M586 PolarHBondContact O-N 2.93Å; M586-R588 PolarHBondContact O-N 3.39Å; M586-F589 HydrophobicContact CE-CB 4.07Å; M586-F589 HydrophobicContact CE-CD1 3.92Å; M586-F589 HydrophobicContact CE-CG 4.28Å; M586-F589 PolarHBondContact O-N 3.41Å; M586-F589 HydrophobicContact SD-CB 4.46Å
587	Q	84.8	Confident	86.6	Confident	163 Å²	163	60.9 Å²	60.9	76%	0.762	35%	0.347	S	S	*	.	H	α-helix	trans	-61.4	-29.3	172.5	-74.4	172.8	-4.3	0	0	112.6	S583 E584	S583-Q587 WeakPolarHBondContact O-CG 3.49Å; S583-Q587 PolarHBondContact O-N 2.73Å; E584-Q587 PolarHBondContact O-N 2.76Å
588	R	85.9	Confident	87.5	Confident	198 Å²	198	63.6 Å²	63.6	75%	0.747	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.5	174.1	-60.4	-179.3	-175.2	168.7	1.7	113.9	R585 M586	R585-R588 PolarHBondContact O-N 3Å; M586-R588 PolarHBondContact O-N 3.39Å
589	F	87.5	Confident	87.8	Confident	11 Å²	11	63.7 Å²	63.7	5%	0.048	36%	0.362	C	S	.	.	S	Bend	trans	-94.8	132.5	-179.2	-168.8	-97.3	0	0	0	109.7	L498 L499 L531 P579 R585 M586 L592 P636	L498-F589 HydrophobicContact CB-CD2 4.48Å; L498-F589 HydrophobicContact CB-CE2 3.95Å; L499-F589 HydrophobicContact CD2-CE2 3.95Å; L531-F589 HydrophobicContact CD2-CE2 4.47Å; L531-F589 HydrophobicContact CD2-CZ 4.1Å; P579-F589 HydrophobicContact CB-CD2 4.48Å; P579-F589 HydrophobicContact CG-CB 4.42Å; P579-F589 HydrophobicContact CG-CD1 4.14Å; P579-F589 HydrophobicContact CG-CD2 3.46Å; P579-F589 VanDerWaalsContact CG-CD2 3.46Å; P579-F589 HydrophobicContact CG-CE1 4.25Å; P579-F589 HydrophobicContact CG-CE2 3.61Å; P579-F589 HydrophobicContact CG-CG 3.74Å; P579-F589 HydrophobicContact CG-CZ 4.01Å; R585-F589 PolarHBondContact O-N 3.19Å; M586-F589 HydrophobicContact CE-CB 4.07Å; M586-F589 HydrophobicContact CE-CD1 3.92Å; M586-F589 HydrophobicContact CE-CG 4.28Å; M586-F589 PolarHBondContact O-N 3.41Å; M586-F589 HydrophobicContact SD-CB 4.46Å; F589-L592 HydrophobicContact CE1-CD2 4.14Å; F589-P636 HydrophobicContact CE1-CB 4.24Å; F589-P636 HydrophobicContact CE1-CG 3.97Å; F589-P636 HydrophobicContact CZ-CB 4.43Å; F589-P636 HydrophobicContact CZ-CG 3.88Å
590	P	87.9	Confident	88.1	Confident	45 Å²	45	69.9 Å²	69.9	29%	0.292	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-62.4	141.6	-177.9	23.2	-32.7	0	0	0	112.3	L498 P636	L498-P590 HydrophobicContact CD1-CG 3.79Å; L498-P590 HydrophobicContact CD2-CG 4.13Å; L498-P590 HydrophobicContact CG-CG 4.47Å; P590-P636 HydrophobicContact CB-CB 4.27Å; P590-P636 HydrophobicContact CG-CB 3.79Å
591	A	88.8	Confident	88.5	Confident	82 Å²	82	67.5 Å²	67.5	68%	0.678	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-61.5	150	-178.7	0	0	0	0	0	112.8	V593	A591-V593 PolarHBondContact O-N 2.82Å
592	L	91.4	Very high	88.9	Confident	25 Å²	25	71.5 Å²	71.5	13%	0.131	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	96.8	-178.2	-53.1	-174.4	0	0	0	112	Y567 F589 H634 G635 P636	Y567-L592 HydrophobicContact CD2-CD1 4.48Å; Y567-L592 HydrophobicContact CE1-CD1 4.36Å; Y567-L592 HydrophobicContact CE2-CD1 3.62Å; Y567-L592 WeakPolarHBondContact OH-CD1 3.42Å; Y567-L592 WeakPolarHBondContact OH-CG 3.41Å; F589-L592 HydrophobicContact CE1-CD2 4.14Å; L592-H634 HydrophobicContact CB-CB 3.91Å; L592-H634 PolarHBondContact O-ND1 3.45Å; L592-H634 VanDerWaalsContact O-ND1 3.16Å; L592-G635 CarbonylContact C-O 3.55Å; L592-G635 WeakPolarHBondContact CA-O 3.16Å; L592-P636 HydrophobicContact CD2-CB 4.15Å; L592-P636 HydrophobicContact CD2-CG 3.96Å
593	V	92.6	Very high	89.1	Confident	61 Å²	61	71.3 Å²	71.3	37%	0.37	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	132.1	178	-178.3	0	0	0	0	110.4	A591 H634 G635 E637 F641	A591-V593 PolarHBondContact O-N 2.82Å; V593-H634 WeakPolarHBondContact O-CA 3.47Å; V593-G635 PolarHBondContact N-O 3.1Å; V593-G635 PolarHBondContact O-N 2.82Å; V593-G635 VanDerWaalsContact O-N 3.15Å; V593-E637 HydrophobicContact CG2-CB 4.09Å; V593-F641 WeakPolarHBondContact O-CZ 3.39Å
594	P	94.8	Very high	89.2	Confident	68 Å²	68	73.5 Å²	73.5	44%	0.442	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.8	175.3	29	-33.1	0	0	0	112.7	R632 V633	P594-R632 HydrophobicContact CB-CG 3.92Å; P594-V633 CarbonylContact C-O 3.48Å
595	Q	94.2	Very high	89.2	Confident	87 Å²	87	72.4 Å²	72.4	41%	0.407	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	130.1	167	-168.5	174.8	25.8	0	0	110.4	F597 V633 F641	Q595-F597 HydrophobicContact CB-CE2 4.01Å; Q595-F597 HydrophobicContact CB-CZ 4.31Å; Q595-F597 VanDerWaalsContact CD-CZ 3.43Å; Q595-F597 HydrophobicContact CG-CE1 4.4Å; Q595-F597 HydrophobicContact CG-CE2 3.87Å; Q595-F597 HydrophobicContact CG-CZ 3.74Å; Q595-F597 VanDerWaalsContact OE1-CZ 3.25Å; Q595-V633 PolarHBondContact N-O 3.49Å; Q595-V633 PolarHBondContact O-N 3.31Å; Q595-F641 HydrophobicContact CB-CE2 3.84Å; Q595-F641 HydrophobicContact CB-CZ 4.37Å
596	D	95.1	Very high	89.3	Confident	90 Å²	90	75.7 Å²	75.7	48%	0.481	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	138	-175.2	-67.8	-10.8	0	0	0	112	L631 R632	D596-L631 WeakPolarHBondContact CA-O 3.46Å; D596-R632 WeakPolarHBondContact OD1-CB 3.38Å; D596-R632 VanDerWaalsContact OD1-CG 3.24Å; D596-R632 WeakPolarHBondContact OD1-CG 3.46Å; D596-R632 IonicContact OD1-CZ 3.52Å; D596-R632 IonicContact OD1-NE 3.8Å; D596-R632 PolarHBondContact OD1-NE 2.8Å; D596-R632 IonicContact OD1-NH2 3.46Å; D596-R632 PolarHBondContact OD1-NH2 2.78Å; D596-R632 IonicContact OD2-CZ 3.84Å; D596-R632 IonicContact OD2-NE 2.78Å; D596-R632 IonicContact OD2-NH2 2.6Å; D596-R632 PolarHBondContact OD2-NH2 2.96Å
597	F	93.8	Very high	89.6	Confident	34 Å²	34	74.3 Å²	74.3	15%	0.149	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.6	-178.5	-63.2	-78	0	0	0	111	Q595 E630 L631 V633 L643	Q595-F597 HydrophobicContact CB-CE2 4.01Å; Q595-F597 HydrophobicContact CB-CZ 4.31Å; Q595-F597 VanDerWaalsContact CD-CZ 3.43Å; Q595-F597 HydrophobicContact CG-CE1 4.4Å; Q595-F597 HydrophobicContact CG-CE2 3.87Å; Q595-F597 HydrophobicContact CG-CZ 3.74Å; Q595-F597 VanDerWaalsContact OE1-CZ 3.25Å; F597-E630 WeakPolarHBondContact O-CA 3.31Å; F597-L631 PolarHBondContact N-O 2.98Å; F597-L631 PolarHBondContact O-N 3.5Å; F597-V633 HydrophobicContact CD2-CB 4.27Å; F597-V633 HydrophobicContact CD2-CG2 3.81Å; F597-V633 HydrophobicContact CE2-CB 4.03Å; F597-V633 HydrophobicContact CE2-CG2 3.97Å; F597-L643 HydrophobicContact CD1-CB 3.75Å; F597-L643 HydrophobicContact CD1-CD2 4.12Å; F597-L643 HydrophobicContact CD1-CG 4.36Å; F597-L643 HydrophobicContact CE1-CB 3.61Å; F597-L643 HydrophobicContact CG-CB 4.47Å; F597-L643 HydrophobicContact CZ-CB 4.22Å
598	S	93.3	Very high	89.9	Confident	77 Å²	77	66.8 Å²	66.8	54%	0.538	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.1	170.1	-167.6	0	0	0	0	110.4
599	L	92.2	Very high	90.3	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.031	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.8	-174.7	-56.6	179.3	0	0	0	111	T608 A609 V621 L628 V629 L631 L643	L599-T608 HydrophobicContact CB-CG2 4.14Å; L599-A609 HydrophobicContact CD1-CB 4.41Å; L599-A609 HydrophobicContact CD2-CB 3.94Å; L599-V621 HydrophobicContact CD1-CB 4.22Å; L599-V621 HydrophobicContact CD1-CG1 4.1Å; L599-V621 HydrophobicContact CD1-CG2 4.42Å; L599-L628 WeakPolarHBondContact O-CA 3.41Å; L599-V629 HydrophobicContact CB-CB 4.41Å; L599-V629 PolarHBondContact N-O 3.12Å; L599-V629 PolarHBondContact O-N 2.58Å; L599-L631 HydrophobicContact CD1-CD1 3.71Å; L599-L631 HydrophobicContact CD1-CG 4.44Å; L599-L643 HydrophobicContact CD2-CD1 3.86Å; L599-L643 HydrophobicContact CD2-CD2 3.53Å; L599-L643 HydrophobicContact CD2-CG 4.31Å
600	E	91.2	Very high	90.6	Very high	130 Å²	130	56.9 Å²	56.9	61%	0.607	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	112.9	169	-169.1	-166.3	173.5	0	0	110.5	T608 L628	E600-T608 WeakPolarHBondContact O-CG2 3.36Å; E600-L628 HydrophobicContact CB-CD2 4.21Å; E600-L628 HydrophobicContact CG-CD2 4.38Å
601	G	87.1	Confident	90.9	Very high	3 Å²	3	54.8 Å²	54.8	3%	0.031	29%	0.289	C	S	.	.			trans	-63.8	141.7	-176.4	0	0	0	0	0	114	M624 S625 G626 E627	G601-M624 CarbonylContact C-O 3.58Å; G601-M624 WeakPolarHBondContact CA-O 3.41Å; G601-S625 VanDerWaalsContact O-CA 3.27Å; G601-S625 WeakPolarHBondContact O-CA 3.43Å; G601-G626 PolarHBondContact O-N 3.29Å; G601-G626 VanDerWaalsContact O-N 3.09Å; G601-E627 PolarHBondContact N-O 3.45Å
602	R	86.1	Confident	91.1	Very high	133 Å²	133	51.9 Å²	51.9	50%	0.502	26%	0.264	S	S	.	.			trans	-102.9	-17.7	-174.7	-60.4	-174.3	-178	-155.9	-4.6	114.4	E606 T608	R602-E606 HydrophobicContact CB-CB 4.42Å; R602-T608 HydrophobicContact CG-CG2 4.39Å; R602-T608 PolarHBondContact N-OG1 3.09Å
603	G	86.1	Confident	91	Very high	11 Å²	11	51 Å²	51	11%	0.113	26%	0.259	C	S	.	.			trans	124.4	176.7	176.8	0	0	0	0	0	114.4	L605 E606 T622 A623	G603-L605 PolarHBondContact O-N 2.89Å; G603-E606 PolarHBondContact O-N 3.33Å; G603-T622 WeakPolarHBondContact O-CG2 3.37Å; G603-A623 WeakPolarHBondContact CA-O 3.25Å; G603-A623 PolarHBondContact N-O 2.67Å
604	Y	83.4	Confident	90.6	Very high	121 Å²	121	48.5 Å²	48.5	48%	0.475	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.9	-167	-63.9	-57.9	0	0	0	116.8	W544 M624	W544-Y604 AromaticContact CH2-CD1 3.58Å; W544-Y604 HydrophobicContact CH2-CD1 3.58Å; W544-Y604 AromaticContact CH2-CE1 3.73Å; W544-Y604 HydrophobicContact CH2-CE1 3.73Å; W544-Y604 AromaticContact CZ3-CD1 3.45Å; W544-Y604 HydrophobicContact CZ3-CD1 3.45Å; W544-Y604 VanDerWaalsContact CZ3-CD1 3.45Å; W544-Y604 AromaticContact CZ3-CE1 3.74Å; W544-Y604 HydrophobicContact CZ3-CE1 3.74Å; Y604-M624 HydrophobicContact CE1-CG 4.39Å; Y604-M624 HydrophobicContact CE2-CE 3.95Å; Y604-M624 HydrophobicContact CE2-SD 4.48Å; Y604-M624 WeakPolarHBondContact OH-CE 3.4Å; Y604-M624 PolarHBondContact OH-SD 3.15Å
605	L	84.8	Confident	89.9	Confident	126 Å²	126	46.3 Å²	46.3	66%	0.66	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-2.3	-172.8	-58.7	178.1	0	0	0	113.5	G603 H651	G603-L605 PolarHBondContact O-N 2.89Å; L605-H651 PolarHBondContact O-ND1 2.98Å
606	E	89.8	Confident	89.5	Confident	88 Å²	88	42.4 Å²	42.4	41%	0.411	21%	0.213	S	C	.	.	S	Bend	trans	-135.2	118.9	-178.3	-65.8	-161.4	176.3	0	0	111.6	R602 G603 P650 H651	R602-E606 HydrophobicContact CB-CB 4.42Å; G603-E606 PolarHBondContact O-N 3.33Å; E606-P650 CarbonylContact C-O 3.54Å; E606-P650 WeakPolarHBondContact CA-O 3.5Å; E606-H651 IonicContact OE1-CE1 3.86Å; E606-H651 PolarHBondContact OE1-CE1 3.13Å
607	A	91.4	Very high	89.3	Confident	2 Å²	2	38.6 Å²	38.6	2%	0.017	20%	0.195	C	C	.	.			trans	-55.2	140.3	165.4	0	0	0	0	0	109.8	A620 V621 T622 P647 P650	A607-A620 HydrophobicContact CB-CB 4.22Å; A607-V621 CarbonylContact C-O 3.52Å; A607-V621 WeakPolarHBondContact CA-O 3.44Å; A607-T622 WeakPolarHBondContact CA-OG1 3.26Å; A607-P647 HydrophobicContact CB-CB 4.27Å; A607-P647 HydrophobicContact CB-CG 3.95Å; A607-P647 VanDerWaalsContact O-CG 3.31Å; A607-P647 WeakPolarHBondContact O-CG 3.33Å; A607-P650 PolarHBondContact N-O 2.91Å
608	T	91.8	Very high	89.3	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.031	19%	0.189	C	C	.	.			trans	-88.7	-43.3	-175.9	-63	0	0	0	0	110.7	L599 E600 R602 V621	L599-T608 HydrophobicContact CB-CG2 4.14Å; E600-T608 WeakPolarHBondContact O-CG2 3.36Å; R602-T608 HydrophobicContact CG-CG2 4.39Å; R602-T608 PolarHBondContact N-OG1 3.09Å; T608-V621 PolarHBondContact N-O 3.44Å
609	A	93.1	Very high	89.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	160.8	176	0	0	0	0	0	110.5	L599 V621 L643 T645	L599-A609 HydrophobicContact CD1-CB 4.41Å; L599-A609 HydrophobicContact CD2-CB 3.94Å; A609-V621 PolarHBondContact O-N 3.46Å; A609-L643 HydrophobicContact CB-CD1 3.61Å; A609-L643 HydrophobicContact CB-CD2 4.34Å; A609-L643 HydrophobicContact CB-CG 4Å; A609-T645 HydrophobicContact CB-CG2 3.52Å
610	D	94.4	Very high	89.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.5	163.7	-63.5	-31.7	0	0	0	108.9	T612 W618 A620 R644 P647 L648	D610-T612 HydrophobicContact CB-CG2 4.38Å; D610-W618 HydrophobicContact CB-CB 4.24Å; D610-W618 HydrophobicContact CB-CG 4.08Å; D610-W618 PolarHBondContact OD1-NE1 3.48Å; D610-A620 WeakPolarHBondContact OD1-CB 3.49Å; D610-R644 HydrophobicContact CB-CB 4.18Å; D610-R644 PolarHBondContact N-O 3.15Å; D610-R644 PolarHBondContact O-N 2.9Å; D610-R644 IonicContact OD2-CZ 3.51Å; D610-R644 IonicContact OD2-NE 2.85Å; D610-R644 PolarHBondContact OD2-NE 3.3Å; D610-R644 IonicContact OD2-NH2 2.8Å; D610-R644 PolarHBondContact OD2-NH2 2.76Å; D610-P647 HydrophobicContact CB-CB 4.49Å; D610-P647 VanDerWaalsContact CG-CB 3.49Å; D610-P647 VanDerWaalsContact OD1-CB 3.26Å; D610-P647 WeakPolarHBondContact OD1-CB 3.28Å; D610-P647 WeakPolarHBondContact OD2-CA 3.41Å; D610-L648 WeakPolarHBondContact OD2-CB 3.43Å; D610-L648 PolarHBondContact OD2-N 2.95Å
611	I	94.1	Very high	89.8	Confident	1 Å²	1	27 Å²	27	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	106.7	163.4	-63	164.5	0	0	0	106.7	I534 W618 V619 V621 L631 V633 G642 L643	I534-I611 HydrophobicContact CD1-CB 4.43Å; I534-I611 HydrophobicContact CD1-CD1 3.94Å; I534-I611 HydrophobicContact CD1-CG2 4.1Å; I534-I611 HydrophobicContact CG1-CD1 4.34Å; I534-I611 HydrophobicContact CG2-CD1 3.79Å; I611-W618 CarbonylContact O-C 3.42Å; I611-W618 WeakPolarHBondContact O-CA 3.35Å; I611-W618 WeakPolarHBondContact O-CB 3.18Å; I611-V619 HydrophobicContact CB-CB 4.46Å; I611-V619 PolarHBondContact N-O 3.28Å; I611-V619 PolarHBondContact O-N 3.45Å; I611-V621 HydrophobicContact CD1-CG2 3.75Å; I611-V621 HydrophobicContact CG1-CG2 4.22Å; I611-L631 HydrophobicContact CD1-CD1 3.85Å; I611-V633 HydrophobicContact CD1-CG2 3.9Å; I611-V633 HydrophobicContact CG1-CG2 4.26Å; I611-V633 HydrophobicContact CG2-CG1 3.85Å; I611-V633 HydrophobicContact CG2-CG2 3.85Å; I611-G642 CarbonylContact C-O 3.6Å; I611-G642 WeakPolarHBondContact CA-O 3.39Å; I611-L643 HydrophobicContact CG1-CD1 4.19Å
612	T	92.4	Very high	90.1	Very high	22 Å²	22	26.9 Å²	26.9	14%	0.135	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	139.2	-175	46.6	0	0	0	0	111.9	D610 W618 F641 G642 R644	D610-T612 HydrophobicContact CB-CG2 4.38Å; T612-W618 HydrophobicContact CG2-CB 4.19Å; T612-F641 VanDerWaalsContact O-CA 3.28Å; T612-F641 WeakPolarHBondContact O-CA 3.46Å; T612-G642 PolarHBondContact N-O 3.06Å; T612-G642 PolarHBondContact O-N 2.71Å; T612-G642 PolarHBondContact OG1-O 3Å; T612-R644 HydrophobicContact CG2-CB 3.65Å; T612-R644 HydrophobicContact CG2-CG 4.45Å
613	L	89.3	Confident	90.3	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.031	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	108.2	173.5	-55.8	175.4	0	0	0	107.6	V528 A532 S615 A616 G617 F641	V528-L613 HydrophobicContact CB-CD1 4.3Å; V528-L613 HydrophobicContact CG1-CD1 4.18Å; A532-L613 HydrophobicContact CB-CD1 3.58Å; A532-L613 HydrophobicContact CB-CD2 3.6Å; A532-L613 HydrophobicContact CB-CG 4.25Å; L613-S615 PolarHBondContact O-N 2.94Å; L613-A616 HydrophobicContact CB-CB 4.05Å; L613-A616 PolarHBondContact O-N 3.39Å; L613-G617 PolarHBondContact N-O 3.04Å; L613-G617 PolarHBondContact O-N 3.07Å; L613-G617 VanDerWaalsContact O-N 3.1Å; L613-G617 VanDerWaalsContact O-O 3.06Å; L613-F641 HydrophobicContact CD2-CB 3.93Å
614	S	83.9	Confident	90.4	Very high	8 Å²	8	22.6 Å²	22.6	6%	0.056	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39	109.1	-174.9	-173.9	0	0	0	0	111.8	R493 I495 A616 G640	R493-S614 WeakPolarHBondContact O-CB 3.24Å; R493-S614 PolarHBondContact O-OG 3.28Å; I495-S614 WeakPolarHBondContact CG2-O 3.14Å; S614-A616 PolarHBondContact O-N 2.97Å; S614-G640 VanDerWaalsContact CB-O 3.22Å; S614-G640 WeakPolarHBondContact CB-O 3.41Å; S614-G640 PolarHBondContact N-O 3.1Å
615	S	80.8	Confident	90.5	Very high	23 Å²	23	21.1 Å²	21.1	16%	0.161	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	0.6	-177.2	-70.9	0	0	0	0	119.7	D245 R491 L613	D245-S615 WeakPolarHBondContact OD2-CA 3.05Å; D245-S615 PolarHBondContact OD2-N 3.38Å; D245-S615 PolarHBondContact OD2-OG 3.22Å; R491-S615 PolarHBondContact NH2-OG 3.45Å; L613-S615 PolarHBondContact O-N 2.94Å
616	A	86.1	Confident	90.3	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.033	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-26	164.2	0	0	0	0	0	112.7	I495 V507 L531 A549 L613 S614	I495-A616 HydrophobicContact CG2-CB 4.23Å; V507-A616 HydrophobicContact CG1-CB 3.71Å; L531-A616 HydrophobicContact CD1-CB 4.29Å; A549-A616 VanDerWaalsContact CB-O 3.27Å; A549-A616 WeakPolarHBondContact CB-O 3.22Å; L613-A616 HydrophobicContact CB-CB 4.05Å; L613-A616 PolarHBondContact O-N 3.39Å; S614-A616 PolarHBondContact O-N 2.97Å
617	G	90.8	Very high	90.1	Very high	11 Å²	11	13.7 Å²	13.7	11%	0.113	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131	-147.7	177.2	0	0	0	0	0	112.4	L548 L613	L548-G617 VanDerWaalsContact O-CA 3.27Å; L548-G617 WeakPolarHBondContact O-CA 3.39Å; L613-G617 PolarHBondContact N-O 3.04Å; L613-G617 PolarHBondContact O-N 3.07Å; L613-G617 VanDerWaalsContact O-N 3.1Å; L613-G617 VanDerWaalsContact O-O 3.06Å
618	W	94.4	Very high	90.1	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.008	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	163.4	175.2	68.2	99.8	0	0	0	113.1	L244 L274 L548 D610 I611 T612 L648 L649	L244-W618 HydrophobicContact CB-CZ3 4.14Å; L244-W618 HydrophobicContact CD2-CH2 4.26Å; L244-W618 HydrophobicContact CD2-CZ3 4.1Å; L244-W618 VanDerWaalsContact O-CZ3 3.31Å; L244-W618 WeakPolarHBondContact O-CZ3 3.44Å; L274-W618 HydrophobicContact CD2-CH2 3.65Å; L274-W618 HydrophobicContact CD2-CZ2 4.39Å; L548-W618 HydrophobicContact CB-CD2 4.06Å; L548-W618 HydrophobicContact CB-CE3 4.37Å; L548-W618 HydrophobicContact CB-CH2 4.27Å; L548-W618 HydrophobicContact CB-CZ2 4.01Å; L548-W618 HydrophobicContact CB-CZ3 4.46Å; L548-W618 HydrophobicContact CD1-CZ2 4.47Å; L548-W618 HydrophobicContact CD2-CH2 4.29Å; L548-W618 HydrophobicContact CD2-CZ2 3.72Å; L548-W618 HydrophobicContact CG-CZ2 4.27Å; L548-W618 PolarHBondContact N-O 3.12Å; L548-W618 PolarHBondContact O-N 3.17Å; D610-W618 HydrophobicContact CB-CB 4.24Å; D610-W618 HydrophobicContact CB-CG 4.08Å; D610-W618 PolarHBondContact OD1-NE1 3.48Å; I611-W618 CarbonylContact O-C 3.42Å; I611-W618 WeakPolarHBondContact O-CA 3.35Å; I611-W618 WeakPolarHBondContact O-CB 3.18Å; T612-W618 HydrophobicContact CG2-CB 4.19Å; W618-L648 HydrophobicContact CH2-CD2 3.76Å; W618-L648 HydrophobicContact CZ2-CD2 3.83Å; W618-L648 HydrophobicContact CZ3-CD2 4.34Å; W618-L649 HydrophobicContact CZ2-CD1 4.28Å; W618-L649 HydrophobicContact CZ2-CG 4.48Å
619	V	95.8	Very high	90.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	111.1	171.3	-172.8	0	0	0	0	109.2	L526 V528 I534 F545 S546 V547 I611	L526-V619 HydrophobicContact CD2-CG1 3.92Å; V528-V619 HydrophobicContact CG2-CG2 3.84Å; I534-V619 HydrophobicContact CD1-CB 3.86Å; I534-V619 HydrophobicContact CD1-CG1 4.28Å; I534-V619 HydrophobicContact CD1-CG2 3.61Å; F545-V619 HydrophobicContact CB-CG1 3.96Å; F545-V619 HydrophobicContact CD1-CG1 4.02Å; S546-V619 CarbonylContact O-C 3.51Å; S546-V619 WeakPolarHBondContact O-CA 3.08Å; V547-V619 HydrophobicContact CG1-CG2 4.37Å; V547-V619 HydrophobicContact CG2-CG1 4.25Å; V547-V619 HydrophobicContact CG2-CG2 4.04Å; I611-V619 HydrophobicContact CB-CB 4.46Å; I611-V619 PolarHBondContact N-O 3.28Å; I611-V619 PolarHBondContact O-N 3.45Å
620	A	95.4	Very high	90.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	120.2	176.5	0	0	0	0	0	110.3	S546 L548 A607 D610 V652	S546-A620 PolarHBondContact N-O 3.31Å; S546-A620 PolarHBondContact O-N 2.81Å; L548-A620 HydrophobicContact CD1-CB 4.22Å; A607-A620 HydrophobicContact CB-CB 4.22Å; D610-A620 WeakPolarHBondContact OD1-CB 3.49Å; A620-V652 HydrophobicContact CB-CG1 3.62Å
621	V	94.7	Very high	90.3	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.8	-178.5	-176.1	0	0	0	0	109.7	F545 L599 A607 T608 A609 I611 L631	F545-V621 HydrophobicContact CD1-CG2 4.02Å; F545-V621 HydrophobicContact CE1-CG1 4.37Å; F545-V621 HydrophobicContact CE1-CG2 3.95Å; F545-V621 HydrophobicContact CZ-CG1 4.44Å; L599-V621 HydrophobicContact CD1-CB 4.22Å; L599-V621 HydrophobicContact CD1-CG1 4.1Å; L599-V621 HydrophobicContact CD1-CG2 4.42Å; A607-V621 CarbonylContact C-O 3.52Å; A607-V621 WeakPolarHBondContact CA-O 3.44Å; T608-V621 PolarHBondContact N-O 3.44Å; A609-V621 PolarHBondContact O-N 3.46Å; I611-V621 HydrophobicContact CD1-CG2 3.75Å; I611-V621 HydrophobicContact CG1-CG2 4.22Å; V621-L631 HydrophobicContact CG1-CD1 4.2Å; V621-L631 HydrophobicContact CG2-CD1 3.87Å
622	T	93.5	Very high	90.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	105.4	178.2	-53.5	0	0	0	0	110	W544 G603 A607 A653	W544-T622 PolarHBondContact N-O 3.35Å; W544-T622 PolarHBondContact O-N 2.69Å; G603-T622 WeakPolarHBondContact O-CG2 3.37Å; A607-T622 WeakPolarHBondContact CA-OG1 3.26Å; T622-A653 HydrophobicContact CG2-CB 3.89Å; T622-A653 WeakPolarHBondContact OG1-CB 3.41Å
623	A	90.7	Very high	90.5	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.008	15%	0.149	C	C	.	.			trans	-109.8	162.6	-179.5	0	0	0	0	0	111.8	C543 G603 V629	C543-A623 VanDerWaalsContact SG-CB 3.58Å; G603-A623 WeakPolarHBondContact CA-O 3.25Å; G603-A623 PolarHBondContact N-O 2.67Å; A623-V629 HydrophobicContact CB-CG2 3.71Å
624	M	87.4	Confident	90.8	Very high	53 Å²	53	26.5 Å²	26.5	26%	0.261	15%	0.154	S	C	.	.			trans	-70.6	152.1	-177.5	-165.4	170.7	179.8	0	0	111.8	K541 G601 Y604 G626 E627	K541-M624 HydrophobicContact CD-SD 3.65Å; K541-M624 PolarHBondContact NZ-SD 3.28Å; G601-M624 CarbonylContact C-O 3.58Å; G601-M624 WeakPolarHBondContact CA-O 3.41Å; Y604-M624 HydrophobicContact CE1-CG 4.39Å; Y604-M624 HydrophobicContact CE2-CE 3.95Å; Y604-M624 HydrophobicContact CE2-SD 4.48Å; Y604-M624 WeakPolarHBondContact OH-CE 3.4Å; Y604-M624 PolarHBondContact OH-SD 3.15Å; M624-G626 PolarHBondContact O-N 3.49Å; M624-E627 HydrophobicContact CB-CB 4.16Å; M624-E627 VanDerWaalsContact CB-OE2 3.22Å; M624-E627 WeakPolarHBondContact CB-OE2 3.25Å; M624-E627 PolarHBondContact N-OE2 2.68Å; M624-E627 VanDerWaalsContact O-CB 3.24Å; M624-E627 WeakPolarHBondContact O-CB 3.23Å; M624-E627 PolarHBondContact O-N 3.08Å
625	S	86.6	Confident	91.2	Very high	90 Å²	90	26.1 Å²	26.1	63%	0.629	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	124.6	179.3	-174.1	0	0	0	0	111.2	G601 E627	G601-S625 VanDerWaalsContact O-CA 3.27Å; G601-S625 WeakPolarHBondContact O-CA 3.43Å; S625-E627 VanDerWaalsContact C-N 3.32Å
626	G	81	Confident	91.6	Very high	49 Å²	49	25.1 Å²	25.1	51%	0.505	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	19	-177.7	0	0	0	0	0	114.6	G601 M624	G601-G626 PolarHBondContact O-N 3.29Å; G601-G626 VanDerWaalsContact O-N 3.09Å; M624-G626 PolarHBondContact O-N 3.49Å
627	E	85.6	Confident	91.4	Very high	9 Å²	9	30.5 Å²	30.5	4%	0.042	17%	0.169	C	C	.	.			trans	-96.8	123.4	172.9	-173.6	172.7	-168.1	0	0	110.6	R540 K541 G601 M624 S625 V629	R540-E627 WeakPolarHBondContact CA-OE1 3.42Å; R540-E627 HydrophobicContact CB-CG 4.42Å; R540-E627 PolarHBondContact N-OE1 2.87Å; K541-E627 PolarHBondContact N-OE1 2.81Å; G601-E627 PolarHBondContact N-O 3.45Å; M624-E627 HydrophobicContact CB-CB 4.16Å; M624-E627 VanDerWaalsContact CB-OE2 3.22Å; M624-E627 WeakPolarHBondContact CB-OE2 3.25Å; M624-E627 PolarHBondContact N-OE2 2.68Å; M624-E627 VanDerWaalsContact O-CB 3.24Å; M624-E627 WeakPolarHBondContact O-CB 3.23Å; M624-E627 PolarHBondContact O-N 3.08Å; S625-E627 VanDerWaalsContact C-N 3.32Å; E627-V629 HydrophobicContact CG-CG2 4.03Å
628	L	90.8	Very high	90.9	Very high	116 Å²	116	32.4 Å²	32.4	61%	0.607	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	132.3	168.1	-66.3	173.8	0	0	0	109.6	L599 E600	L599-L628 WeakPolarHBondContact O-CA 3.41Å; E600-L628 HydrophobicContact CB-CD2 4.21Å; E600-L628 HydrophobicContact CG-CD2 4.38Å
629	V	92.2	Very high	90	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	121.1	-176.1	169.8	0	0	0	0	109	F536 Q538 L599 A623 E627 L631	F536-V629 HydrophobicContact CD2-CG1 4.16Å; F536-V629 HydrophobicContact CE2-CG1 3.72Å; F536-V629 HydrophobicContact CE2-CG2 4.44Å; F536-V629 HydrophobicContact CZ-CG1 4.4Å; Q538-V629 WeakPolarHBondContact O-CA 3.32Å; L599-V629 HydrophobicContact CB-CB 4.41Å; L599-V629 PolarHBondContact N-O 3.12Å; L599-V629 PolarHBondContact O-N 2.58Å; A623-V629 HydrophobicContact CB-CG2 3.71Å; E627-V629 HydrophobicContact CG-CG2 4.03Å; V629-L631 HydrophobicContact CG1-CD1 4.43Å; V629-L631 HydrophobicContact CG1-CD2 3.64Å; V629-L631 HydrophobicContact CG1-CG 3.9Å
630	E	95.1	Very high	89.1	Confident	74 Å²	74	33.7 Å²	33.7	35%	0.346	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.8	176.3	-64.7	-179.7	179	0	0	110.4	L537 Q538 F597	L537-E630 HydrophobicContact CB-CB 4.42Å; L537-E630 PolarHBondContact N-O 3.35Å; Q538-E630 HydrophobicContact CB-CB 4.08Å; Q538-E630 HydrophobicContact CB-CG 4.28Å; Q538-E630 WeakPolarHBondContact CG-OE2 3.45Å; Q538-E630 PolarHBondContact N-O 3.26Å; Q538-E630 PolarHBondContact NE2-OE2 2.76Å; Q538-E630 PolarHBondContact O-N 2.74Å; F597-E630 WeakPolarHBondContact O-CA 3.31Å
631	L	95.5	Very high	88.7	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.5	-179.3	-53.2	-179.3	0	0	0	110.2	D535 F536 F545 D596 F597 L599 I611 V621 V629	D535-L631 CarbonylContact O-C 3.4Å; D535-L631 VanDerWaalsContact O-CA 3.28Å; D535-L631 WeakPolarHBondContact O-CA 3.47Å; F536-L631 HydrophobicContact CB-CD2 4.05Å; F536-L631 HydrophobicContact CD2-CD2 3.74Å; F536-L631 HydrophobicContact CG-CD2 4.05Å; F545-L631 HydrophobicContact CE1-CD1 4.02Å; F545-L631 HydrophobicContact CE1-CD2 4.14Å; F545-L631 HydrophobicContact CZ-CD1 4.33Å; F545-L631 HydrophobicContact CZ-CD2 3.78Å; D596-L631 WeakPolarHBondContact CA-O 3.46Å; F597-L631 PolarHBondContact N-O 2.98Å; F597-L631 PolarHBondContact O-N 3.5Å; L599-L631 HydrophobicContact CD1-CD1 3.71Å; L599-L631 HydrophobicContact CD1-CG 4.44Å; I611-L631 HydrophobicContact CD1-CD1 3.85Å; V621-L631 HydrophobicContact CG1-CD1 4.2Å; V621-L631 HydrophobicContact CG2-CD1 3.87Å; V629-L631 HydrophobicContact CG1-CD1 4.43Å; V629-L631 HydrophobicContact CG1-CD2 3.64Å; V629-L631 HydrophobicContact CG1-CG 3.9Å
632	R	95.9	Very high	88.4	Confident	86 Å²	86	36 Å²	36	33%	0.325	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.3	168.2	173.6	168.8	-68.3	166.4	3	109.2	D535 L537 P594 D596	D535-R632 HydrophobicContact CB-CB 4.21Å; D535-R632 PolarHBondContact N-O 2.92Å; D535-R632 PolarHBondContact O-N 3.14Å; L537-R632 HydrophobicContact CD1-CB 3.89Å; L537-R632 HydrophobicContact CD2-CB 4.45Å; L537-R632 HydrophobicContact CG-CB 4.17Å; P594-R632 HydrophobicContact CB-CG 3.92Å; D596-R632 WeakPolarHBondContact OD1-CB 3.38Å; D596-R632 VanDerWaalsContact OD1-CG 3.24Å; D596-R632 WeakPolarHBondContact OD1-CG 3.46Å; D596-R632 IonicContact OD1-CZ 3.52Å; D596-R632 IonicContact OD1-NE 3.8Å; D596-R632 PolarHBondContact OD1-NE 2.8Å; D596-R632 IonicContact OD1-NH2 3.46Å; D596-R632 PolarHBondContact OD1-NH2 2.78Å; D596-R632 IonicContact OD2-CZ 3.84Å; D596-R632 IonicContact OD2-NE 2.78Å; D596-R632 IonicContact OD2-NH2 2.6Å; D596-R632 PolarHBondContact OD2-NH2 2.96Å
633	V	95.4	Very high	88.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119	178.5	-177.4	0	0	0	0	108.4	R533 I534 P594 Q595 F597 I611 F641	R533-V633 CarbonylContact O-C 3.51Å; R533-V633 WeakPolarHBondContact O-CA 3.47Å; I534-V633 HydrophobicContact CG1-CG1 4.3Å; I534-V633 HydrophobicContact CG1-CG2 4.33Å; I534-V633 HydrophobicContact CG2-CG2 4.42Å; P594-V633 CarbonylContact C-O 3.48Å; Q595-V633 PolarHBondContact N-O 3.49Å; Q595-V633 PolarHBondContact O-N 3.31Å; F597-V633 HydrophobicContact CD2-CB 4.27Å; F597-V633 HydrophobicContact CD2-CG2 3.81Å; F597-V633 HydrophobicContact CE2-CB 4.03Å; F597-V633 HydrophobicContact CE2-CG2 3.97Å; I611-V633 HydrophobicContact CD1-CG2 3.9Å; I611-V633 HydrophobicContact CG1-CG2 4.26Å; I611-V633 HydrophobicContact CG2-CG1 3.85Å; I611-V633 HydrophobicContact CG2-CG2 3.85Å; V633-F641 HydrophobicContact CB-CD2 4.49Å; V633-F641 HydrophobicContact CG1-CD2 3.82Å; V633-F641 HydrophobicContact CG1-CE2 4.23Å
634	H	94.4	Very high	88.3	Confident	28 Å²	28	39.8 Å²	39.8	13%	0.13	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.6	172	-73.3	-99.8	0	0	0	109.2	A532 R533 D535 L592 V593	A532-H634 WeakPolarHBondContact CA-O 3.25Å; R533-H634 HydrophobicContact CB-CB 3.9Å; R533-H634 HydrophobicContact CG-CB 4.1Å; R533-H634 PolarHBondContact N-O 3.39Å; R533-H634 PolarHBondContact O-N 3.29Å; D535-H634 IonicContact OD2-CD2 3.56Å; D535-H634 IonicContact OD2-NE2 2.72Å; L592-H634 HydrophobicContact CB-CB 3.91Å; L592-H634 PolarHBondContact O-ND1 3.45Å; L592-H634 VanDerWaalsContact O-ND1 3.16Å; V593-H634 WeakPolarHBondContact O-CA 3.47Å
635	G	92.1	Very high	88.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	161.9	175.5	0	0	0	0	0	111.4	L592 V593 E637 F641	L592-G635 CarbonylContact C-O 3.55Å; L592-G635 WeakPolarHBondContact CA-O 3.16Å; V593-G635 PolarHBondContact N-O 3.1Å; V593-G635 PolarHBondContact O-N 2.82Å; V593-G635 VanDerWaalsContact O-N 3.15Å; G635-E637 PolarHBondContact O-N 3.3Å; G635-F641 WeakPolarHBondContact O-CE1 3.3Å
636	P	89.5	Confident	88.3	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	125.3	178.2	18.7	-8.5	0	0	0	108.7	I495 L498 L531 F589 P590 L592 A638 A639	I495-P636 HydrophobicContact CD1-CG 4.49Å; L498-P636 HydrophobicContact CD1-CB 4.16Å; L498-P636 HydrophobicContact CD1-CG 4.23Å; L531-P636 WeakPolarHBondContact O-CD 3.45Å; F589-P636 HydrophobicContact CE1-CB 4.24Å; F589-P636 HydrophobicContact CE1-CG 3.97Å; F589-P636 HydrophobicContact CZ-CB 4.43Å; F589-P636 HydrophobicContact CZ-CG 3.88Å; P590-P636 HydrophobicContact CB-CB 4.27Å; P590-P636 HydrophobicContact CG-CB 3.79Å; L592-P636 HydrophobicContact CD2-CB 4.15Å; L592-P636 HydrophobicContact CD2-CG 3.96Å; P636-A638 PolarHBondContact O-N 2.74Å; P636-A638 VanDerWaalsContact O-N 3.15Å; P636-A639 HydrophobicContact CG-CB 3.99Å; P636-A639 WeakPolarHBondContact O-CA 3.5Å; P636-A639 PolarHBondContact O-N 2.75Å
637	E	83.5	Confident	88.8	Confident	118 Å²	118	37.1 Å²	37.1	55%	0.551	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-33.1	-172.2	-177.2	175	-171.2	0	0	113.8	V593 G635 A639	V593-E637 HydrophobicContact CG2-CB 4.09Å; G635-E637 PolarHBondContact O-N 3.3Å; E637-A639 PolarHBondContact O-N 3.42Å
638	A	79.5	Confident	89	Confident	51 Å²	51	37.1 Å²	37.1	42%	0.421	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.9	174.5	0	0	0	0	0	113.8	R493 L498 P636	R493-A638 CarbonylContact C-O 3.59Å; R493-A638 VanDerWaalsContact CA-O 3.25Å; R493-A638 WeakPolarHBondContact CA-O 3.5Å; L498-A638 HydrophobicContact CD1-CB 4.11Å; L498-A638 HydrophobicContact CD2-CB 4Å; P636-A638 PolarHBondContact O-N 2.74Å; P636-A638 VanDerWaalsContact O-N 3.15Å
639	A	75.8	Confident	89	Confident	4 Å²	4	31.6 Å²	31.6	3%	0.033	17%	0.174	C	C	.	.	S	Bend	trans	-103.6	135.6	171	0	0	0	0	0	110.5	I495 L498 P636 E637 F641	I495-A639 HydrophobicContact CB-CB 3.76Å; I495-A639 HydrophobicContact CD1-CB 4.24Å; I495-A639 HydrophobicContact CG1-CB 3.74Å; L498-A639 HydrophobicContact CD1-CB 3.9Å; P636-A639 HydrophobicContact CG-CB 3.99Å; P636-A639 WeakPolarHBondContact O-CA 3.5Å; P636-A639 PolarHBondContact O-N 2.75Å; E637-A639 PolarHBondContact O-N 3.42Å; A639-F641 PolarHBondContact O-N 3.46Å
640	G	76.3	Confident	89	Confident	25 Å²	25	32.2 Å²	32.2	26%	0.258	18%	0.178	S	C	.	.			trans	-68	97.2	178.7	0	0	0	0	0	111.8	R493 S614	R493-G640 PolarHBondContact O-N 2.88Å; S614-G640 VanDerWaalsContact CB-O 3.22Å; S614-G640 WeakPolarHBondContact CB-O 3.41Å; S614-G640 PolarHBondContact N-O 3.1Å
641	F	87.9	Confident	88.8	Confident	39 Å²	39	31 Å²	31	17%	0.171	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	159.5	164.1	73	-83.2	0	0	0	110.8	V593 Q595 T612 L613 V633 G635 A639	V593-F641 WeakPolarHBondContact O-CZ 3.39Å; Q595-F641 HydrophobicContact CB-CE2 3.84Å; Q595-F641 HydrophobicContact CB-CZ 4.37Å; T612-F641 VanDerWaalsContact O-CA 3.28Å; T612-F641 WeakPolarHBondContact O-CA 3.46Å; L613-F641 HydrophobicContact CD2-CB 3.93Å; V633-F641 HydrophobicContact CB-CD2 4.49Å; V633-F641 HydrophobicContact CG1-CD2 3.82Å; V633-F641 HydrophobicContact CG1-CE2 4.23Å; G635-F641 WeakPolarHBondContact O-CE1 3.3Å; A639-F641 PolarHBondContact O-N 3.46Å
642	G	88.4	Confident	88.5	Confident	11 Å²	11	30.9 Å²	30.9	11%	0.113	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162	-165.7	-179.5	0	0	0	0	0	113.7	I611 T612	I611-G642 CarbonylContact C-O 3.6Å; I611-G642 WeakPolarHBondContact CA-O 3.39Å; T612-G642 PolarHBondContact N-O 3.06Å; T612-G642 PolarHBondContact O-N 2.71Å; T612-G642 PolarHBondContact OG1-O 3Å
643	L	91.4	Very high	88	Confident	55 Å²	55	26.9 Å²	26.9	29%	0.288	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.8	-175.3	-165.5	78.4	0	0	0	112.1	F597 L599 A609 I611 T645	F597-L643 HydrophobicContact CD1-CB 3.75Å; F597-L643 HydrophobicContact CD1-CD2 4.12Å; F597-L643 HydrophobicContact CD1-CG 4.36Å; F597-L643 HydrophobicContact CE1-CB 3.61Å; F597-L643 HydrophobicContact CG-CB 4.47Å; F597-L643 HydrophobicContact CZ-CB 4.22Å; L599-L643 HydrophobicContact CD2-CD1 3.86Å; L599-L643 HydrophobicContact CD2-CD2 3.53Å; L599-L643 HydrophobicContact CD2-CG 4.31Å; A609-L643 HydrophobicContact CB-CD1 3.61Å; A609-L643 HydrophobicContact CB-CD2 4.34Å; A609-L643 HydrophobicContact CB-CG 4Å; I611-L643 HydrophobicContact CG1-CD1 4.19Å; L643-T645 HydrophobicContact CD2-CG2 4.02Å; L643-T645 HydrophobicContact CG-CG2 4.27Å
644	R	90.1	Very high	87.6	Confident	24 Å²	24	29.8 Å²	29.8	9%	0.091	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	108.2	174.8	175.1	173	72.8	-159.2	-1.1	110.5	L244 P246 D610 T612	L244-R644 PolarHBondContact O-NH1 3.25Å; P246-R644 WeakPolarHBondContact O-CD 3.28Å; P246-R644 PolarHBondContact O-NH1 2.91Å; D610-R644 HydrophobicContact CB-CB 4.18Å; D610-R644 PolarHBondContact N-O 3.15Å; D610-R644 PolarHBondContact O-N 2.9Å; D610-R644 IonicContact OD2-CZ 3.51Å; D610-R644 IonicContact OD2-NE 2.85Å; D610-R644 PolarHBondContact OD2-NE 3.3Å; D610-R644 IonicContact OD2-NH2 2.8Å; D610-R644 PolarHBondContact OD2-NH2 2.76Å; T612-R644 HydrophobicContact CG2-CB 3.65Å; T612-R644 HydrophobicContact CG2-CG 4.45Å
645	T	87.6	Confident	87.2	Confident	82 Å²	82	29.7 Å²	29.7	50%	0.503	18%	0.177	S	C	.	.	S	Bend	trans	-121	137	172.3	51.7	0	0	0	0	110.4	A609 L643	A609-T645 HydrophobicContact CB-CG2 3.52Å; L643-T645 HydrophobicContact CD2-CG2 4.02Å; L643-T645 HydrophobicContact CG-CG2 4.27Å
646	P	87.3	Confident	86.9	Confident	53 Å²	53	31.9 Å²	31.9	34%	0.344	19%	0.187	S	C	.	.	S	Bend	cis	-68.4	154.9	-12.7	32.5	-37.1	0	0	0	112.2	R288	R288-P646 VanDerWaalsContact CZ-CG 3.48Å
647	P	90.8	Very high	86.8	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.013	20%	0.199	C	C	.	.			trans	-63.5	160	-179.3	24.3	-32.6	0	0	0	113.4	R288 A607 D610	R288-P647 PolarHBondContact NE-O 3.24Å; A607-P647 HydrophobicContact CB-CB 4.27Å; A607-P647 HydrophobicContact CB-CG 3.95Å; A607-P647 VanDerWaalsContact O-CG 3.31Å; A607-P647 WeakPolarHBondContact O-CG 3.33Å; D610-P647 HydrophobicContact CB-CB 4.49Å; D610-P647 VanDerWaalsContact CG-CB 3.49Å; D610-P647 VanDerWaalsContact OD1-CB 3.26Å; D610-P647 WeakPolarHBondContact OD1-CB 3.28Å; D610-P647 WeakPolarHBondContact OD2-CA 3.41Å
648	L	89.9	Confident	86.9	Confident	9 Å²	9	35.3 Å²	35.3	5%	0.047	21%	0.21	C	C	.	.	S	Bend	trans	-75.2	-43.8	-175.9	-173.7	67.4	0	0	0	112.4	L243 P246 L274 L285 D610 W618 P650	L243-L648 VanDerWaalsContact O-CD2 3.3Å; L243-L648 WeakPolarHBondContact O-CD2 3.37Å; P246-L648 HydrophobicContact CG-CD1 3.99Å; P246-L648 HydrophobicContact CG-CD2 4.43Å; L274-L648 HydrophobicContact CD2-CD2 4.4Å; L285-L648 HydrophobicContact CD2-CD1 3.52Å; L285-L648 HydrophobicContact CD2-CG 3.84Å; D610-L648 WeakPolarHBondContact OD2-CB 3.43Å; D610-L648 PolarHBondContact OD2-N 2.95Å; W618-L648 HydrophobicContact CH2-CD2 3.76Å; W618-L648 HydrophobicContact CZ2-CD2 3.83Å; W618-L648 HydrophobicContact CZ3-CD2 4.34Å; L648-P650 WeakPolarHBondContact O-CD 3.43Å
649	L	91.2	Very high	87.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-122.1	80.1	177.6	-63.6	-177.8	0	0	0	110.6	L274 P275 D277 L285 L548 W618 H651 V652	L274-L649 HydrophobicContact CD2-CD1 4.26Å; P275-L649 HydrophobicContact CG-CD1 3.91Å; D277-L649 HydrophobicContact CB-CB 4.38Å; L285-L649 HydrophobicContact CD2-CD2 4.35Å; L548-L649 HydrophobicContact CD2-CD1 4.01Å; W618-L649 HydrophobicContact CZ2-CD1 4.28Å; W618-L649 HydrophobicContact CZ2-CG 4.48Å; L649-H651 VanDerWaalsContact C-N 3.26Å; L649-H651 PolarHBondContact O-N 3.43Å; L649-H651 VanDerWaalsContact O-N 3.16Å; L649-V652 HydrophobicContact CB-CB 4.23Å; L649-V652 WeakPolarHBondContact O-CB 3.49Å; L649-V652 WeakPolarHBondContact O-CG1 3.3Å; L649-V652 PolarHBondContact O-N 3.4Å
650	P	90.4	Very high	88	Confident	12 Å²	12	42.9 Å²	42.9	8%	0.078	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-35.6	-174.1	-27.5	35.5	0	0	0	114.3	E606 A607 L648 V652	E606-P650 CarbonylContact C-O 3.54Å; E606-P650 WeakPolarHBondContact CA-O 3.5Å; A607-P650 PolarHBondContact N-O 2.91Å; L648-P650 WeakPolarHBondContact O-CD 3.43Å; P650-V652 VanDerWaalsContact C-N 3.34Å; P650-V652 PolarHBondContact O-N 3.04Å
651	H	90.9	Very high	88.3	Confident	48 Å²	48	53.4 Å²	53.4	22%	0.222	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	12.2	-172.7	-52.3	-58.6	0	0	0	113.4	D277 A278 L605 E606 L649 A653 S654	D277-H651 HydrophobicContact CB-CB 4.13Å; D277-H651 IonicContact OD2-CD2 2.76Å; D277-H651 PolarHBondContact OD2-N 2.84Å; A278-H651 HydrophobicContact CB-CB 4.44Å; L605-H651 PolarHBondContact O-ND1 2.98Å; E606-H651 IonicContact OE1-CE1 3.86Å; E606-H651 PolarHBondContact OE1-CE1 3.13Å; L649-H651 VanDerWaalsContact C-N 3.26Å; L649-H651 PolarHBondContact O-N 3.43Å; L649-H651 VanDerWaalsContact O-N 3.16Å; H651-A653 PolarHBondContact O-N 2.91Å; H651-A653 VanDerWaalsContact O-N 3.08Å; H651-S654 WeakPolarHBondContact O-CB 3.48Å; H651-S654 PolarHBondContact O-N 2.88Å; H651-S654 PolarHBondContact O-OG 2.94Å
652	V	89.6	Confident	88	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-57.1	-28.4	-176.2	68.9	0	0	0	0	113.6	P515 L548 A620 L649 P650 S654 L655	P515-V652 HydrophobicContact CB-CG2 3.84Å; P515-V652 HydrophobicContact CG-CG2 3.71Å; L548-V652 HydrophobicContact CD1-CG2 3.97Å; L548-V652 HydrophobicContact CD2-CG2 4.07Å; L548-V652 HydrophobicContact CG-CG2 4.44Å; A620-V652 HydrophobicContact CB-CG1 3.62Å; L649-V652 HydrophobicContact CB-CB 4.23Å; L649-V652 WeakPolarHBondContact O-CB 3.49Å; L649-V652 WeakPolarHBondContact O-CG1 3.3Å; L649-V652 PolarHBondContact O-N 3.4Å; P650-V652 VanDerWaalsContact C-N 3.34Å; P650-V652 PolarHBondContact O-N 3.04Å; V652-S654 PolarHBondContact O-N 3.15Å; V652-L655 HydrophobicContact CG2-CD1 4.42Å; V652-L655 WeakPolarHBondContact O-CB 3.35Å; V652-L655 PolarHBondContact O-N 3.41Å
653	A	86.4	Confident	87.9	Confident	1 Å²	1	64 Å²	64	1%	0.008	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-64.7	-7.6	175.1	0	0	0	0	0	114.5	T622 H651 K656	T622-A653 HydrophobicContact CG2-CB 3.89Å; T622-A653 WeakPolarHBondContact OG1-CB 3.41Å; H651-A653 PolarHBondContact O-N 2.91Å; H651-A653 VanDerWaalsContact O-N 3.08Å; A653-K656 WeakPolarHBondContact O-CD 3.29Å; A653-K656 WeakPolarHBondContact O-CE 3.27Å; A653-K656 PolarHBondContact O-NZ 3.28Å
654	S	86.5	Confident	87.6	Confident	61 Å²	61	62.3 Å²	62.3	43%	0.427	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-85.4	-21.2	169.5	69.9	0	0	0	0	113.4	H651 V652 K656	H651-S654 WeakPolarHBondContact O-CB 3.48Å; H651-S654 PolarHBondContact O-N 2.88Å; H651-S654 PolarHBondContact O-OG 2.94Å; V652-S654 PolarHBondContact O-N 3.15Å; S654-K656 PolarHBondContact O-N 3.31Å
655	L	85.2	Confident	87.7	Confident	26 Å²	26	61.8 Å²	61.8	14%	0.136	31%	0.308	C	S	.	.	S	Bend	trans	-81.3	33.4	-176.4	-58.2	-177.6	0	0	0	113.3	P275 D277 P515 V652 L669	P275-L655 HydrophobicContact CB-CD1 3.82Å; P275-L655 HydrophobicContact CG-CD1 4.18Å; D277-L655 HydrophobicContact CB-CD1 4.27Å; P515-L655 HydrophobicContact CG-CB 4.34Å; P515-L655 HydrophobicContact CG-CD1 4.14Å; V652-L655 HydrophobicContact CG2-CD1 4.42Å; V652-L655 WeakPolarHBondContact O-CB 3.35Å; V652-L655 PolarHBondContact O-N 3.41Å; L655-L669 WeakPolarHBondContact O-CB 3.39Å
656	K	86.6	Confident	87.9	Confident	47 Å²	47	59.8 Å²	59.8	20%	0.204	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.6	179.7	67.7	-163.9	175.8	-144.5	0	110.4	T517 A653 S654 Y666	T517-K656 HydrophobicContact CG2-CB 4.36Å; T517-K656 HydrophobicContact CG2-CD 3.9Å; A653-K656 WeakPolarHBondContact O-CD 3.29Å; A653-K656 WeakPolarHBondContact O-CE 3.27Å; A653-K656 PolarHBondContact O-NZ 3.28Å; S654-K656 PolarHBondContact O-N 3.31Å; K656-Y666 HydrophobicContact CB-CD1 4.03Å; K656-Y666 HydrophobicContact CB-CG 4.32Å; K656-Y666 HydrophobicContact CD-CD1 3.87Å; K656-Y666 HydrophobicContact CD-CE1 4.04Å; K656-Y666 HydrophobicContact CD-CG 4.42Å; K656-Y666 HydrophobicContact CG-CD1 3.89Å; K656-Y666 HydrophobicContact CG-CE1 4.37Å
657	G	86.6	Confident	88	Confident	27 Å²	27	63.5 Å²	63.5	28%	0.278	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-152.6	172.6	0	0	0	0	0	112.2	Y666 K667	G657-Y666 WeakPolarHBondContact O-CD1 3.38Å; G657-K667 WeakPolarHBondContact CA-O 3.46Å; G657-K667 PolarHBondContact N-O 3.41Å
658	E	87.1	Confident	87.7	Confident	164 Å²	164	66.9 Å²	66.9	77%	0.766	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	149.1	175.2	-61.4	-177.3	161.8	0	0	112.1	K667	E658-K667 WeakPolarHBondContact O-CB 3.39Å; E658-K667 PolarHBondContact O-N 2.98Å
659	R	88.8	Confident	87.3	Confident	134 Å²	134	70.7 Å²	70.7	51%	0.506	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.2	173.6	-174.3	176.7	174.9	170.7	1.6	110.3	S663 Y666	R659-S663 PolarHBondContact NE-O 3.44Å; R659-S663 PolarHBondContact NH2-O 2.59Å; R659-Y666 HydrophobicContact CB-CD1 4.15Å; R659-Y666 HydrophobicContact CB-CD2 4.41Å; R659-Y666 HydrophobicContact CB-CE1 3.85Å; R659-Y666 HydrophobicContact CB-CE2 4.08Å; R659-Y666 HydrophobicContact CB-CG 4.41Å; R659-Y666 HydrophobicContact CG-CD2 4.2Å; R659-Y666 HydrophobicContact CG-CE1 4.49Å; R659-Y666 HydrophobicContact CG-CE2 3.81Å
660	L	88.6	Confident	86.5	Confident	81 Å²	81	77.1 Å²	77.1	42%	0.424	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-70.2	132.6	176.9	-60.7	179.5	0	0	0	110.4	K662 S663 A665 K667	L660-K662 PolarHBondContact O-N 3.28Å; L660-S663 PolarHBondContact O-N 2.98Å; L660-A665 WeakPolarHBondContact CB-O 3.48Å; L660-A665 HydrophobicContact CD1-CB 4.13Å; L660-A665 PolarHBondContact N-O 2.92Å; L660-K667 HydrophobicContact CD2-CB 4.16Å
661	R	82.1	Confident	85.5	Confident	245 Å²	245	78.5 Å²	78.5	93%	0.925	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	136.8	-177.9	-68.4	-176.2	178.1	-174.9	-0.1	110.4	S663	R661-S663 PolarHBondContact O-N 2.83Å
662	K	81.8	Confident	84.2	Confident	226 Å²	226	80.6 Å²	80.6	98%	0.983	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	19.9	-176.8	-55.5	-173.6	177.6	-174.4	0	115.4	L660	L660-K662 PolarHBondContact O-N 3.28Å
663	S	87.5	Confident	83.1	Confident	47 Å²	47	81.8 Å²	81.8	33%	0.329	42%	0.418	S	S	.	.	S	Bend	trans	-125.8	161.6	-179.6	-171.6	0	0	0	0	113.5	R659 L660 R661 A665	R659-S663 PolarHBondContact NE-O 3.44Å; R659-S663 PolarHBondContact NH2-O 2.59Å; L660-S663 PolarHBondContact O-N 2.98Å; R661-S663 PolarHBondContact O-N 2.83Å; S663-A665 VanDerWaalsContact C-N 3.34Å; S663-A665 PolarHBondContact OG-N 3.15Å; S663-A665 VanDerWaalsContact OG-N 3.11Å
664	A	85.4	Confident	82.4	Confident	19 Å²	19	87.4 Å²	87.4	16%	0.157	45%	0.445	C	S	.	.	S	Bend	trans	-74.7	-23.9	164.4	0	0	0	0	0	112.4	F518 V519 I557	F518-A664 CarbonylContact C-O 3.5Å; F518-A664 WeakPolarHBondContact CA-O 3.28Å; V519-A664 PolarHBondContact N-O 3.29Å; V519-A664 WeakPolarHBondContact O-CB 3.43Å; I557-A664 HydrophobicContact CD1-CB 3.93Å
665	A	91.5	Very high	81.8	Confident	14 Å²	14	85.7 Å²	85.7	12%	0.116	43%	0.43	C	S	.	.	B	Isolated β-bridge	trans	-80.4	149.9	-172.1	0	0	0	0	0	114	F518 L660 S663	F518-A665 HydrophobicContact CD1-CB 3.64Å; F518-A665 HydrophobicContact CE1-CB 3.67Å; L660-A665 WeakPolarHBondContact CB-O 3.48Å; L660-A665 HydrophobicContact CD1-CB 4.13Å; L660-A665 PolarHBondContact N-O 2.92Å; S663-A665 VanDerWaalsContact C-N 3.34Å; S663-A665 PolarHBondContact OG-N 3.15Å; S663-A665 VanDerWaalsContact OG-N 3.11Å
666	Y	91.5	Very high	80.9	Confident	39 Å²	39	88.1 Å²	88.1	15%	0.153	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	149	170.4	-75.6	-117.9	0	0	0	109.9	T517 V519 W544 K656 G657 R659	T517-Y666 WeakPolarHBondContact O-CB 3.38Å; T517-Y666 PolarHBondContact O-N 3.49Å; V519-Y666 HydrophobicContact CB-CE2 4.27Å; V519-Y666 HydrophobicContact CG2-CD2 4.41Å; V519-Y666 HydrophobicContact CG2-CE2 3.47Å; V519-Y666 VanDerWaalsContact CG2-CE2 3.47Å; W544-Y666 AromaticContact NE1-CZ 3.75Å; K656-Y666 HydrophobicContact CB-CD1 4.03Å; K656-Y666 HydrophobicContact CB-CG 4.32Å; K656-Y666 HydrophobicContact CD-CD1 3.87Å; K656-Y666 HydrophobicContact CD-CE1 4.04Å; K656-Y666 HydrophobicContact CD-CG 4.42Å; K656-Y666 HydrophobicContact CG-CD1 3.89Å; K656-Y666 HydrophobicContact CG-CE1 4.37Å; G657-Y666 WeakPolarHBondContact O-CD1 3.38Å; R659-Y666 HydrophobicContact CB-CD1 4.15Å; R659-Y666 HydrophobicContact CB-CD2 4.41Å; R659-Y666 HydrophobicContact CB-CE1 3.85Å; R659-Y666 HydrophobicContact CB-CE2 4.08Å; R659-Y666 HydrophobicContact CB-CG 4.41Å; R659-Y666 HydrophobicContact CG-CD2 4.2Å; R659-Y666 HydrophobicContact CG-CE1 4.49Å; R659-Y666 HydrophobicContact CG-CE2 3.81Å
667	K	88.6	Confident	79.8	Confident	131 Å²	131	88.9 Å²	88.9	57%	0.57	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	124.4	174.5	-171.1	177	-178.2	180	0	108.7	G657 E658 L660 L669	G657-K667 WeakPolarHBondContact CA-O 3.46Å; G657-K667 PolarHBondContact N-O 3.41Å; E658-K667 WeakPolarHBondContact O-CB 3.39Å; E658-K667 PolarHBondContact O-N 2.98Å; L660-K667 HydrophobicContact CD2-CB 4.16Å; K667-L669 PolarHBondContact O-N 2.89Å
668	P	85.3	Confident	78.8	Confident	74 Å²	74	88.7 Å²	88.7	48%	0.481	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	132.3	-178.9	26.1	-33.8	0	0	0	110.4	V514	V514-P668 HydrophobicContact CG1-CB 3.77Å
669	L	82.4	Confident	77.5	Confident	89 Å²	89	85.6 Å²	85.6	47%	0.466	42%	0.424	S	S	.	.			trans	-97.7	108.6	177	-174.8	66.7	0	0	0	109.7	L655 K667 A671	L655-L669 WeakPolarHBondContact O-CB 3.39Å; K667-L669 PolarHBondContact O-N 2.89Å; L669-A671 PolarHBondContact O-N 3.37Å
670	R	74.4	Confident	76	Confident	134 Å²	134	84.7 Å²	84.7	51%	0.506	44%	0.435	S	S	.	.			trans	-86.9	107.1	174.1	-168.7	172.1	-161.3	-158.4	0.1	109.9	R423 V514	R423-R670 PolarHBondContact O-NH1 2.96Å; R423-R670 PolarHBondContact O-NH2 3.47Å; V514-R670 HydrophobicContact CG1-CB 4.4Å; V514-R670 HydrophobicContact CG2-CB 4.29Å; V514-R670 HydrophobicContact CG2-CG 4Å
671	A	68.1	Low	74.2	Confident	41 Å²	41	84.2 Å²	84.2	34%	0.339	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-60.9	147.2	166	0	0	0	0	0	110.6	Y426 L669	Y426-A671 HydrophobicContact CD1-CB 4.22Å; Y426-A671 HydrophobicContact CE1-CB 3.87Å; Y426-A671 WeakPolarHBondContact CE1-O 3.27Å; L669-A671 PolarHBondContact O-N 3.37Å
672	A	64.2	Low	72.2	Confident	93 Å²	93	84.6 Å²	84.6	77%	0.769	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-69.6	146.1	176.2	0	0	0	0	0	111.1	Q674	A672-Q674 PolarHBondContact O-N 3.05Å
673	G	66.6	Low	70	Confident	24 Å²	24	84.1 Å²	84.1	25%	0.247	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-71.6	124.1	173.6	0	0	0	0	0	111
674	Q	71.4	Confident	69.1	Low	120 Å²	120	86 Å²	86	56%	0.561	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.4	-179.1	-173.8	177.9	12.9	0	0	110.6	Y426 L427 V428 A672	Y426-Q674 PolarHBondContact O-N 3.17Å; L427-Q674 HydrophobicContact CD2-CB 4.44Å; V428-Q674 PolarHBondContact N-O 2.91Å; A672-Q674 PolarHBondContact O-N 3.05Å
675	I	73.4	Confident	68.3	Low	24 Å²	24	89.5 Å²	89.5	12%	0.123	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.7	170.1	-51	169.8	0	0	0	108.3	L418 V428 L678	L418-I675 HydrophobicContact CB-CD1 4.11Å; L418-I675 HydrophobicContact CD1-CG2 4.5Å; L418-I675 HydrophobicContact CD2-CG2 4.33Å; V428-I675 HydrophobicContact CB-CG1 4.46Å; I675-L678 HydrophobicContact CB-CD1 4.21Å; I675-L678 HydrophobicContact CG2-CD1 3.73Å
676	H	67.3	Low	67	Low	77 Å²	77	93.7 Å²	93.7	36%	0.356	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	154.6	-177.5	-166.1	-89.4	0	0	0	111.6	F314 V428 L678	F314-H676 HydrophobicContact CD2-CB 3.89Å; F314-H676 HydrophobicContact CE2-CB 3.83Å; F314-H676 AromaticContact CE2-CD2 3.57Å; F314-H676 AromaticContact CE2-CG 3.68Å; V428-H676 WeakPolarHBondContact O-CB 3.45Å; V428-H676 PolarHBondContact O-N 3.34Å; H676-L678 PolarHBondContact O-N 3.15Å
677	N	64.1	Low	65.6	Low	63 Å²	63	96.9 Å²	96.9	34%	0.337	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	8.6	-176.1	-57.7	-35.9	0	0	0	116.6	L403	L403-N677 HydrophobicContact CD2-CB 3.78Å; L403-N677 WeakPolarHBondContact CD2-OD1 3.45Å; L403-N677 HydrophobicContact CG-CB 4.5Å
678	L	63.9	Low	64.1	Low	24 Å²	24	94.8 Å²	94.8	13%	0.126	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-97	144.6	171	-89.9	169.3	0	0	0	111.8	Q405 T406 E407 L410 R430 I675 H676	Q405-L678 HydrophobicContact CB-CD2 4.41Å; Q405-L678 VanDerWaalsContact O-CD2 3.3Å; Q405-L678 WeakPolarHBondContact O-CD2 3.32Å; T406-L678 VanDerWaalsContact C-CD2 3.45Å; E407-L678 HydrophobicContact CG-CD1 3.45Å; E407-L678 VanDerWaalsContact CG-CD1 3.45Å; E407-L678 HydrophobicContact CG-CD2 4.44Å; E407-L678 HydrophobicContact CG-CG 4.41Å; L410-L678 HydrophobicContact CD1-CD1 4.32Å; R430-L678 VanDerWaalsContact NH2-CD1 3.33Å; R430-L678 VanDerWaalsContact NH2-CD2 3.33Å; I675-L678 HydrophobicContact CB-CD1 4.21Å; I675-L678 HydrophobicContact CG2-CD1 3.73Å; H676-L678 PolarHBondContact O-N 3.15Å
679	K	61.4	Low	62.7	Low	99 Å²	99	96.1 Å²	96.1	43%	0.43	51%	0.507	S	S	.	.	B	Isolated β-bridge	trans	-73.7	133.1	162.2	-69.8	177.1	-172.7	152.3	0	108.8	Q404 Q405 T406	Q404-K679 WeakPolarHBondContact O-CD 3.27Å; Q404-K679 VanDerWaalsContact O-CE 3.3Å; Q404-K679 WeakPolarHBondContact O-CE 3.37Å; Q404-K679 PolarHBondContact O-NZ 2.77Å; Q405-K679 PolarHBondContact O-N 2.87Å; T406-K679 HydrophobicContact CG2-CB 4.41Å
680	P	56.8	Low	61.3	Low	114 Å²	114	96.6 Å²	96.6	74%	0.74	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-61.5	140.6	168.1	28	-33.8	0	0	0	109.4	R682	P680-R682 PolarHBondContact O-N 3.04Å
681	S	50	Low	60.3	Low	72 Å²	72	93.8 Å²	93.8	50%	0.503	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-60.6	131.1	171.7	53.6	0	0	0	0	109.7	N683	S681-N683 PolarHBondContact O-N 2.99Å; S681-N683 VanDerWaalsContact O-N 3.1Å
682	R	41.6	Very low	59.6	Low	252 Å²	252	98.2 Å²	98.2	95%	0.951	53%	0.525	S	S	*	.			trans	-77.9	92.5	170.7	-77.4	-176.9	170.6	-175.4	-3.6	108.7	P680	P680-R682 PolarHBondContact O-N 3.04Å
683	N	35.1	Very low	59.2	Low	216 Å²	216	98.6 Å²	98.6	100%	1.155	50%	0.503	S	S	*	.			trans	-98.8	0	160.7	-64.2	21.7	0	0	0	108.8	S681	S681-N683 PolarHBondContact O-N 2.99Å; S681-N683 VanDerWaalsContact O-N 3.1Å

Retrieved 683 of 683 residues in 215.9 ms (Link to these results)

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