A0A087YLS1_POEFO Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A087YLS1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 639 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.2	Very low	31.8	Very low	223 Å²	223	165.8 Å²	165.8	100%	1.099	82%	0.816	S	S	*	*				0	89	0	-75.5	-179.3	170.1	0	0	110.9
2	D	33.6	Very low	31.5	Very low	120 Å²	120	161.8 Å²	161.8	64%	0.642	81%	0.808	S	S	*	*			cis	-172.5	126.1	-35.6	-88	-33.6	0	0	0	107.7
3	E	36.9	Very low	31.2	Very low	162 Å²	162	159.5 Å²	159.5	76%	0.757	81%	0.808	S	S	*	*			trans	57.6	176	160.1	-55.7	159.9	171.1	0	0	114.8
4	W	33.4	Very low	30.9	Very low	201 Å²	201	162.3 Å²	162.3	76%	0.761	81%	0.813	S	S	*	*			cis	-131.2	154.7	-1.9	-69.5	56	0	0	0	106.1
5	E	34.3	Very low	30.7	Very low	165 Å²	165	160.2 Å²	160.2	77%	0.771	81%	0.812	S	S	*	*			cis	-158.6	-171.5	-4.4	-125.4	-178.6	158.4	0	0	107.9
6	E	33.9	Very low	30.5	Very low	191 Å²	191	156.9 Å²	156.9	89%	0.893	82%	0.817	S	S	*	*			trans	-116.3	150.5	171.8	-65.9	-177.4	129.4	0	0	112
7	E	30.6	Very low	30.3	Very low	198 Å²	198	152.8 Å²	152.8	93%	0.925	81%	0.811	S	S	*	*			trans	-151.1	126.7	147.1	-143.2	176.9	-155.7	0	0	112.1
8	E	29.9	Very low	30.3	Very low	162 Å²	162	150.6 Å²	150.6	76%	0.757	81%	0.81	S	S	*	*			trans	-91.1	153.7	174.6	-67.3	-167.3	123.9	0	0	112
9	T	30.5	Very low	30.2	Very low	127 Å²	127	155 Å²	155	78%	0.779	82%	0.816	S	S	*	*			trans	-157.5	98.8	131.9	2.3	0	0	0	0	115.6
10	K	28	Very low	30.1	Very low	173 Å²	173	153 Å²	153	75%	0.752	82%	0.815	S	S	*	*			trans	44.4	100.4	134.3	-62.3	170.5	-173.7	164.4	0	118.8
11	A	29.1	Very low	30.1	Very low	102 Å²	102	151.5 Å²	151.5	84%	0.843	82%	0.817	S	S	*	*			trans	-87.6	127.2	151.3	0	0	0	0	0	110.4	T13	A11-T13 PolarHBondContact O-N 3.47Å
12	T	28	Very low	30.1	Very low	117 Å²	117	148 Å²	148	72%	0.718	80%	0.802	S	S	*	*			trans	-93	99.9	-173.9	-47.5	0	0	0	0	112.2	F14	T12-F14 HydrophobicContact CG2-CD2 4.09Å; T12-F14 HydrophobicContact CG2-CE2 4.14Å
13	T	27.6	Very low	29.9	Very low	132 Å²	132	149.4 Å²	149.4	81%	0.81	81%	0.81	S	S	*	*			trans	-81	118.7	170.4	24.8	0	0	0	0	111.7	A11	A11-T13 PolarHBondContact O-N 3.47Å
14	F	27.3	Very low	29.6	Very low	199 Å²	199	145.9 Å²	145.9	87%	0.873	81%	0.808	S	S	*	*			trans	-100.3	102.6	166.6	-102.1	-83.9	0	0	0	110.8	T12	T12-F14 HydrophobicContact CG2-CD2 4.09Å; T12-F14 HydrophobicContact CG2-CE2 4.14Å
15	T	27.3	Very low	29.4	Very low	131 Å²	131	141.7 Å²	141.7	80%	0.804	82%	0.817	S	S	*	*			trans	-86.9	131.5	165.1	49.2	0	0	0	0	110.2
16	A	27.1	Very low	29.1	Very low	108 Å²	108	137.3 Å²	137.3	89%	0.893	82%	0.816	S	S	*	*			trans	-117.8	115.6	168.1	0	0	0	0	0	109.2
17	A	27.5	Very low	28.8	Very low	87 Å²	87	139.5 Å²	139.5	72%	0.719	82%	0.816	S	S	*	*			trans	-122.5	141.5	177.3	0	0	0	0	0	110.7
18	S	29.4	Very low	28.8	Very low	112 Å²	112	137 Å²	137	78%	0.783	81%	0.809	S	S	*	*			trans	-8.7	131.5	166.4	55.5	0	0	0	0	118.7
19	Y	28.4	Very low	28.7	Very low	235 Å²	235	133.7 Å²	133.7	92%	0.922	80%	0.804	S	S	*	*			trans	-120.2	147.2	144.6	-97	-85.6	0	0	0	110.5
20	S	28.4	Very low	28.6	Very low	115 Å²	115	138.8 Å²	138.8	80%	0.804	81%	0.809	S	S	*	*			trans	-105.1	154.5	-177	52.1	0	0	0	0	111.9
21	S	30.2	Very low	28.6	Very low	121 Å²	121	139.4 Å²	139.4	85%	0.846	81%	0.812	S	S	*	*			trans	-138.4	136.4	156.4	53.9	0	0	0	0	109.1
22	N	30.6	Very low	28.7	Very low	149 Å²	149	138.8 Å²	138.8	80%	0.797	80%	0.801	S	S	*	*			trans	-116.8	-178.6	178.1	-135.5	17.7	0	0	0	108.8
23	D	29.8	Very low	28.7	Very low	150 Å²	150	139.1 Å²	139.1	80%	0.802	80%	0.798	S	S	*	*			trans	73.4	150.3	169.3	-53.4	-22.3	0	0	0	117.3
24	A	29.6	Very low	28.8	Very low	88 Å²	88	141.1 Å²	141.1	73%	0.727	80%	0.798	S	S	*	*			cis	-166.5	145.7	-28.3	0	0	0	0	0	111.6
25	A	30.3	Very low	28.9	Very low	113 Å²	113	134.8 Å²	134.8	93%	0.934	79%	0.789	S	S	*	*			trans	59.4	144.1	151.4	0	0	0	0	0	122.8
26	G	26.6	Very low	29	Very low	73 Å²	73	135.9 Å²	135.9	75%	0.753	79%	0.785	S	S	*	*			trans	127.9	79.1	167.9	0	0	0	0	0	114.3
27	R	29.2	Very low	29	Very low	237 Å²	237	139.7 Å²	139.7	89%	0.894	78%	0.782	S	S	*	*				53.6	102.3	90.1	-84.1	-165.3	179.1	174.5	0.9	116.6
28	D	30.3	Very low	29.1	Very low	145 Å²	145	139 Å²	139	78%	0.775	78%	0.783	S	S	*	*				179	136.9	102.3	-87.7	-17.5	0	0	0	109.4
29	S	27.7	Very low	29.3	Very low	94 Å²	94	146 Å²	146	66%	0.657	79%	0.792	S	S	*	*				58.1	127.9	86.7	-151.2	0	0	0	0	112.5
30	W	28.8	Very low	29.3	Very low	233 Å²	233	138.8 Å²	138.8	88%	0.883	79%	0.789	S	S	*	*			cis	-122.7	151.2	37.4	-64.4	4.9	0	0	0	112
31	K	28.1	Very low	29.5	Very low	187 Å²	187	145.5 Å²	145.5	81%	0.813	80%	0.797	S	S	*	*				40.8	141.3	80.3	-76	-167.4	176.5	-169.3	0	115.5
32	S	29.8	Very low	29.5	Very low	88 Å²	88	143.9 Å²	143.9	62%	0.615	80%	0.799	S	S	*	*			cis	165.8	153.8	-26.7	49.4	0	0	0	0	105.3
33	D	28.7	Very low	29.4	Very low	124 Å²	124	140.7 Å²	140.7	66%	0.663	80%	0.801	S	S	*	*				160.8	130.1	128.4	-82.4	12.2	0	0	0	112.9
34	H	30.8	Very low	29.6	Very low	175 Å²	175	144.1 Å²	144.1	81%	0.81	81%	0.809	S	S	*	*			trans	39.6	144.5	135.4	-57.5	-66.3	0	0	0	122.3
35	G	27.9	Very low	29.6	Very low	66 Å²	66	143.7 Å²	143.7	68%	0.68	81%	0.813	S	S	*	*			cis	-153.6	155.9	-1.9	0	0	0	0	0	109.8
36	E	29.4	Very low	29.8	Very low	153 Å²	153	150.7 Å²	150.7	72%	0.715	82%	0.815	S	S	*	*				95.9	120.4	58.1	-145.5	-167.9	-152.7	0	0	113
37	F	28.2	Very low	30	Very low	189 Å²	189	151 Å²	151	83%	0.829	82%	0.819	S	S	*	*			trans	59.6	151.9	173.7	-58	-57	0	0	0	119.7
38	G	29.2	Very low	30.1	Very low	71 Å²	71	152.2 Å²	152.2	73%	0.732	82%	0.824	S	S	*	*			cis	-163.8	-177.5	4.6	0	0	0	0	0	115.1
39	R	33.1	Very low	30.1	Very low	261 Å²	261	149.4 Å²	149.4	99%	0.985	83%	0.828	S	S	*	*			trans	-82.1	141.5	-176.6	-62.2	173.2	175.1	174.3	-2.5	111.9
40	G	28.8	Very low	30.1	Very low	82 Å²	82	147.8 Å²	147.8	85%	0.845	83%	0.827	S	S	*	*			trans	-142.7	134.9	170.4	0	0	0	0	0	112.8
41	R	32.9	Very low	30	Very low	257 Å²	257	146.1 Å²	146.1	97%	0.97	83%	0.826	S	S	*	*			trans	-109.7	132.2	-179.9	-95.7	-178.1	166.6	179.9	-3.8	111.8
42	G	28.8	Very low	29.9	Very low	87 Å²	87	147.6 Å²	147.6	90%	0.897	83%	0.827	S	S	*	*			trans	83.2	167.1	139.2	0	0	0	0	0	118.5
43	G	29.5	Very low	29.8	Very low	81 Å²	81	149.1 Å²	149.1	84%	0.835	83%	0.828	S	S	*	*			trans	150	109.1	178.2	0	0	0	0	0	111.8
44	K	33.6	Very low	29.8	Very low	222 Å²	222	147.4 Å²	147.4	97%	0.965	83%	0.826	S	S	*	*			trans	-89.3	136.7	168.3	-73.2	178.3	178.5	173.8	0	109
45	G	30.2	Very low	29.6	Very low	80 Å²	80	144.2 Å²	144.2	83%	0.825	82%	0.823	S	S	*	*			trans	-134.6	123.1	167.5	0	0	0	0	0	110.9
46	R	34.5	Very low	29.8	Very low	259 Å²	259	144.9 Å²	144.9	98%	0.977	82%	0.823	S	S	*	*			trans	-102	135.2	166.6	-81.4	179.8	168.1	176.2	-4.5	108.2
47	G	29.9	Very low	29.9	Very low	81 Å²	81	145.6 Å²	145.6	84%	0.835	83%	0.831	S	S	*	*			trans	-138.5	108.1	169.7	0	0	0	0	0	110.8
48	R	32.8	Very low	29.9	Very low	262 Å²	262	140.4 Å²	140.4	99%	0.989	83%	0.831	S	S	*	*			trans	-97.5	136.2	158.8	-93	-174.6	169.6	-172.7	-3.3	107.2
49	G	28.7	Very low	30.1	Very low	85 Å²	85	144.5 Å²	144.5	88%	0.876	84%	0.836	S	S	*	*			trans	-163.2	132.6	169.2	0	0	0	0	0	109
50	G	29.4	Very low	30.1	Very low	61 Å²	61	136.5 Å²	136.5	63%	0.629	82%	0.82	S	S	*	*			trans	-164.1	135.6	-178.6	0	0	0	0	0	111.4
51	F	26.2	Very low	30.4	Very low	197 Å²	197	143 Å²	143	86%	0.864	82%	0.819	S	S	*	*			trans	-150.3	131.6	177.6	-88.9	-83.5	0	0	0	103.9
52	W	26.2	Very low	30.5	Very low	219 Å²	219	137.4 Å²	137.4	83%	0.83	81%	0.808	S	S	*	*				58.3	126.9	50.5	-62	93.8	0	0	0	111
53	N	28.1	Very low	30.7	Very low	119 Å²	119	137.8 Å²	137.8	64%	0.636	80%	0.797	S	S	*	*			cis	-160.9	165.1	15.2	-168.2	26.6	0	0	0	111.6
54	S	27.3	Very low	30.9	Very low	89 Å²	89	141 Å²	141	62%	0.622	80%	0.795	S	S	*	*			trans	57.9	157.3	144.6	55.1	0	0	0	0	122.2
55	S	27.7	Very low	30.8	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	79%	0.789	S	S	*	*			cis	-176.5	170.7	-22.2	-87.8	0	0	0	0	108.9
56	A	31.1	Very low	30.9	Very low	80 Å²	80	142.8 Å²	142.8	66%	0.661	79%	0.791	S	S	*	*			trans	73.2	151.9	154.6	0	0	0	0	0	119
57	D	32.1	Very low	30.7	Very low	168 Å²	168	133.9 Å²	133.9	90%	0.898	78%	0.78	S	S	*	*			cis	-167	162.5	-24	-95.1	-30.9	0	0	0	108.4
58	G	28.1	Very low	30.8	Very low	79 Å²	79	138.9 Å²	138.9	81%	0.814	78%	0.781	S	S	*	*			trans	149.8	99.8	161.8	0	0	0	0	0	118.6
59	D	33	Very low	30.8	Very low	157 Å²	157	137.6 Å²	137.6	84%	0.84	78%	0.776	S	S	*	*			trans	-65.6	163.8	164.9	-80.3	-61.9	0	0	0	112.6
60	S	33.4	Very low	30.9	Very low	93 Å²	93	142.6 Å²	142.6	65%	0.65	78%	0.777	S	S	*	*				-176.9	143.6	61.5	-56.9	0	0	0	0	115.2
61	R	35.1	Very low	31	Very low	218 Å²	218	142.7 Å²	142.7	82%	0.823	78%	0.778	S	S	*	*			trans	64.7	151.8	139.6	-67.8	178.7	-169.4	174.7	4.5	119.5
62	D	35.9	Very low	31.1	Very low	140 Å²	140	143.2 Å²	143.2	75%	0.749	78%	0.78	S	S	*	*			cis	-159.1	179.4	-9	-97.7	-25.1	0	0	0	106.5
63	S	31.4	Very low	31.3	Very low	96 Å²	96	137.9 Å²	137.9	67%	0.671	78%	0.776	S	S	*	*			cis	-154.6	167.8	12.6	56.9	0	0	0	0	112
64	N	34.2	Very low	31.4	Very low	148 Å²	148	135.7 Å²	135.7	79%	0.791	78%	0.782	S	S	*	*			trans	22.8	150.5	140.5	-55.2	9.2	0	0	0	121.8
65	E	31.4	Very low	31.6	Very low	177 Å²	177	143.5 Å²	143.5	83%	0.827	80%	0.798	S	S	*	*			cis	-140	165.4	32.9	-71.3	176.5	141.4	0	0	115.4
66	D	32.2	Very low	31.6	Very low	163 Å²	163	142.5 Å²	142.5	87%	0.872	81%	0.805	S	S	*	*			trans	-15.7	164.5	162.7	-52.9	-38.2	0	0	0	119.9
67	G	30.4	Very low	31.5	Very low	72 Å²	72	142.5 Å²	142.5	74%	0.742	81%	0.812	S	S	*	*			cis	151	159.1	16.8	0	0	0	0	0	106.9
68	E	32.4	Very low	31.6	Very low	186 Å²	186	147 Å²	147	87%	0.869	82%	0.817	S	S	*	*			cis	-136	-177.3	8.1	-57.8	-178.4	110.9	0	0	111
69	R	32.8	Very low	31.7	Very low	234 Å²	234	147.1 Å²	147.1	88%	0.883	82%	0.817	S	S	*	*			trans	-126.5	136.5	164.1	-73.4	179.1	174.4	179.4	-0.8	110.6
70	H	31.4	Very low	31.6	Very low	190 Å²	190	152.1 Å²	152.1	88%	0.88	83%	0.825	S	S	*	*			trans	-142.3	145.4	147.1	-88.7	-66.9	0	0	0	111.5
71	G	30	Very low	31.5	Very low	64 Å²	64	151.4 Å²	151.4	66%	0.66	83%	0.831	S	S	*	*			trans	-150.7	156.5	167.1	0	0	0	0	0	108.9
72	F	28.8	Very low	31.3	Very low	208 Å²	208	153 Å²	153	91%	0.912	84%	0.837	S	S	*	*			trans	-151.6	165	169.1	-123.8	-83.7	0	0	0	111.4
73	S	31.3	Very low	31	Very low	107 Å²	107	149.6 Å²	149.6	75%	0.748	84%	0.836	S	S	*	*			trans	-111.3	148.1	-167.1	57	0	0	0	0	114.3
74	G	28.6	Very low	30.9	Very low	73 Å²	73	155.1 Å²	155.1	75%	0.753	85%	0.848	S	S	*	*			trans	120.8	151.3	132.5	0	0	0	0	0	119.7
75	R	32	Very low	30.7	Very low	253 Å²	253	154.9 Å²	154.9	96%	0.955	85%	0.847	S	S	*	*			trans	56.9	89.3	158.4	-67.4	-173.6	169.5	-164.2	-2	119.2
76	G	27.8	Very low	30.6	Very low	87 Å²	87	157.7 Å²	157.7	90%	0.897	85%	0.85	S	S	*	*				65.3	124.1	99	0	0	0	0	0	120.3
77	G	30.1	Very low	30.4	Very low	80 Å²	80	157.7 Å²	157.7	83%	0.825	85%	0.847	S	S	*	*			trans	-154.5	135.5	166	0	0	0	0	0	112
78	R	32.5	Very low	30.3	Very low	263 Å²	263	161.4 Å²	161.4	99%	0.992	85%	0.849	S	S	*	*			trans	-96.2	131.2	169.9	-73.5	178.8	173.9	173.4	-2	109
79	G	30	Very low	30.3	Very low	80 Å²	80	156.6 Å²	156.6	83%	0.825	84%	0.836	S	S	*	*			trans	-140.9	119	172.8	0	0	0	0	0	112
80	R	32.5	Very low	30.2	Very low	263 Å²	263	152.7 Å²	152.7	99%	0.992	83%	0.833	S	S	*	*			trans	-103.9	132.1	162.2	-79.4	-177.9	169.9	-176.1	-3.2	107.7
81	G	30.1	Very low	30.2	Very low	77 Å²	77	146.5 Å²	146.5	79%	0.794	82%	0.82	S	S	*	*			trans	-139.8	142.4	170.3	0	0	0	0	0	110.3
82	R	32.2	Very low	30.1	Very low	251 Å²	251	153 Å²	153	95%	0.947	83%	0.831	S	S	*	*			trans	-101.5	148.6	169	-73.4	178.5	168.6	177.1	-5.5	108.6
83	G	28.3	Very low	30.2	Very low	69 Å²	69	148.4 Å²	148.4	71%	0.711	82%	0.824	S	S	*	*			trans	-82.2	-175	-178.3	0	0	0	0	0	114.6
84	F	29.6	Very low	30.3	Very low	213 Å²	213	151.1 Å²	151.1	93%	0.934	83%	0.825	S	S	*	*			trans	-149.3	159.8	172.9	-101.5	-77.8	0	0	0	111.8
85	N	29.3	Very low	30.6	Very low	143 Å²	143	155.3 Å²	155.3	77%	0.765	83%	0.831	S	S	*	*			trans	-86.2	154.4	-176.3	-63.5	-4.9	0	0	0	114
86	R	29.9	Very low	30.6	Very low	235 Å²	235	146.9 Å²	146.9	89%	0.887	82%	0.822	S	S	*	*				174.5	131.9	125.2	-91.6	161.1	-177	-162.1	-0	108.1
87	M	28.2	Very low	30.9	Very low	164 Å²	164	150.9 Å²	150.9	81%	0.808	82%	0.823	S	S	*	*			cis	86.3	105.5	47.5	-71.5	179	88.6	0	0	114.6
88	N	28.3	Very low	30.9	Very low	150 Å²	150	150.7 Å²	150.7	80%	0.802	82%	0.821	S	S	*	*				-159.2	138.8	126.5	-94.9	13.5	0	0	0	105.1
89	S	32.5	Very low	30.9	Very low	84 Å²	84	142.2 Å²	142.2	59%	0.587	81%	0.807	S	S	*	*				68.8	136	62.1	100.4	0	0	0	0	111.8
90	D	30.9	Very low	31	Very low	152 Å²	152	147 Å²	147	81%	0.813	81%	0.808	S	S	*	*			cis	-130.1	-176.8	16.9	-46.2	-57.6	0	0	0	111
91	G	30.5	Very low	31.1	Very low	60 Å²	60	141.2 Å²	141.2	62%	0.619	79%	0.792	S	S	*	*			cis	159.7	154	-6.2	0	0	0	0	0	112.4
92	F	29	Very low	31.2	Very low	201 Å²	201	144.7 Å²	144.7	88%	0.882	79%	0.793	S	S	*	*			trans	71.7	143.4	171.4	-58	-78.8	0	0	0	118.2
93	S	29.9	Very low	31.1	Very low	111 Å²	111	135.8 Å²	135.8	78%	0.776	78%	0.779	S	S	*	*			cis	-137.3	164.1	6	-66.1	0	0	0	0	114.1
94	E	34	Very low	31.3	Very low	165 Å²	165	141.1 Å²	141.1	77%	0.771	78%	0.783	S	S	*	*			trans	-73.1	179.6	161.9	-71.6	143.1	121.1	0	0	111.4
95	D	34.4	Very low	31.5	Very low	161 Å²	161	142 Å²	142	86%	0.861	78%	0.78	S	S	*	*			cis	-123.1	172	17.4	-62.4	-68	0	0	0	111.3
96	G	32	Very low	31.6	Very low	76 Å²	76	138.4 Å²	138.4	78%	0.784	78%	0.777	S	S	*	*			cis	113.2	150.3	23.5	0	0	0	0	0	109.7
97	D	35.2	Very low	31.7	Very low	171 Å²	171	139.8 Å²	139.8	91%	0.914	78%	0.782	S	S	*	*			cis	-161.1	170.6	-9.7	-167.8	2.9	0	0	0	108.3
98	G	29.3	Very low	31.8	Very low	75 Å²	75	135.2 Å²	135.2	77%	0.773	78%	0.777	S	S	*	*			trans	159.4	103.5	170.8	0	0	0	0	0	116.6
99	A	33.3	Very low	32.2	Very low	86 Å²	86	140.4 Å²	140.4	71%	0.711	79%	0.785	S	S	*	*			trans	-129.6	156.2	-178.4	0	0	0	0	0	113.8
100	H	31.1	Very low	32.1	Very low	180 Å²	180	140.1 Å²	140.1	83%	0.833	80%	0.796	S	S	*	*			trans	168.3	165.1	148.7	-89.1	-61.6	0	0	0	109.7
101	E	35	Very low	32	Very low	141 Å²	141	136.2 Å²	136.2	66%	0.659	79%	0.791	S	S	*	*				-166.4	173	-55.3	-140.7	-177.2	152.3	0	0	110.6
102	N	32.7	Very low	32.3	Very low	151 Å²	151	146.1 Å²	146.1	81%	0.807	81%	0.81	S	S	*	*			trans	72.2	151.1	171.5	-52.7	-68.7	0	0	0	118.3
103	G	29.7	Very low	32.2	Very low	64 Å²	64	140.4 Å²	140.4	66%	0.66	81%	0.807	S	S	*	*			cis	163.5	132	-14.1	0	0	0	0	0	117.2
104	F	32.9	Very low	32.3	Very low	181 Å²	181	138.6 Å²	138.6	79%	0.794	81%	0.807	S	S	*	*			trans	78.4	133.6	152.8	-79.8	-81.4	0	0	0	126.1
105	R	32.5	Very low	32.2	Very low	232 Å²	232	143.3 Å²	143.3	88%	0.875	82%	0.817	S	S	*	*			trans	71.3	148.9	150.4	-65.8	156.9	-167.4	-144.6	2	119.4
106	G	31.6	Very low	31.9	Very low	67 Å²	67	139.4 Å²	139.4	69%	0.691	82%	0.815	S	S	*	*			cis	158.3	151.6	-12.4	0	0	0	0	0	115.9
107	R	32.8	Very low	31.8	Very low	263 Å²	263	139 Å²	139	99%	0.992	81%	0.812	S	S	*	*			trans	76.9	157.4	-179.4	-58.1	-179	167.7	-163	-1.7	117.2
108	G	31.2	Very low	31.6	Very low	69 Å²	69	137.8 Å²	137.8	71%	0.711	80%	0.804	S	S	*	*			cis	146.6	130.4	-16.9	0	0	0	0	0	117.3
109	R	36.3	Very low	31.7	Very low	258 Å²	258	144.1 Å²	144.1	97%	0.974	81%	0.805	S	S	*	*			trans	75.3	151.9	-177.9	-61.1	-178.6	168.5	-172.2	-3.7	116.1
110	G	29	Very low	31.6	Very low	79 Å²	79	146.2 Å²	146.2	81%	0.814	80%	0.8	S	S	*	*			cis	110.7	137	-7	0	0	0	0	0	115.6
111	G	30.4	Very low	31.6	Very low	69 Å²	69	144.1 Å²	144.1	71%	0.711	80%	0.795	S	S	*	*			cis	167.8	177.3	-0.1	0	0	0	0	0	113.3
112	R	35.4	Very low	31.4	Very low	269 Å²	269	141.3 Å²	141.3	100%	1.015	80%	0.796	S	S	*	*			trans	76.7	159.4	-170.4	-57.2	175.2	167.4	-178.8	-4.6	114.5
113	G	28.4	Very low	31.3	Very low	80 Å²	80	142.1 Å²	142.1	83%	0.825	80%	0.795	S	S	*	*			cis	176.7	177.7	-2	0	0	0	0	0	108.6
114	G	30.4	Very low	31.4	Very low	74 Å²	74	147.4 Å²	147.4	76%	0.763	80%	0.802	S	S	*	*			cis	139.8	102.3	-1.9	0	0	0	0	0	113.2
115	R	31.7	Very low	31.2	Very low	263 Å²	263	142.6 Å²	142.6	99%	0.992	80%	0.804	S	S	*	*			trans	177.2	148.9	168.8	-100.7	164.6	-167.1	-144.5	3.1	110
116	G	29	Very low	31	Very low	79 Å²	79	135.5 Å²	135.5	81%	0.814	80%	0.803	S	S	*	*			cis	159.1	128.2	-16.6	0	0	0	0	0	115.4
117	G	30.4	Very low	30.9	Very low	69 Å²	69	144.5 Å²	144.5	71%	0.711	82%	0.816	S	S	*	*			trans	98.6	158.1	163.2	0	0	0	0	0	117.7
118	L	30.4	Very low	30.6	Very low	145 Å²	145	135.7 Å²	135.7	76%	0.759	81%	0.807	S	S	*	*			cis	-165.9	141.6	-2.5	-142.4	83.7	0	0	0	112.6
119	R	32	Very low	30.5	Very low	207 Å²	207	135.8 Å²	135.8	78%	0.781	81%	0.808	S	S	*	*			trans	66.2	154.4	158.5	-65.7	175.4	179.4	-160.1	2.6	119
120	Q	31.6	Very low	30	Very low	130 Å²	130	132.7 Å²	132.7	61%	0.607	80%	0.802	S	S	*	*			cis	-156.6	152.7	-14.6	-120.3	173.8	-87.7	0	0	110.1
121	D	31.1	Very low	30	Very low	136 Å²	136	140.5 Å²	140.5	73%	0.727	81%	0.807	S	S	*	*			trans	48.4	148.1	148.2	-47.4	-22.7	0	0	0	120.9
122	A	29.4	Very low	29.8	Very low	83 Å²	83	141.1 Å²	141.1	69%	0.686	81%	0.814	S	S	*	*			cis	-149.2	167.2	4.9	0	0	0	0	0	112.7
123	E	30.7	Very low	29.4	Very low	167 Å²	167	131.5 Å²	131.5	78%	0.78	80%	0.798	S	S	*	*			trans	45.2	112.2	147.7	-68.2	-166.8	107.6	0	0	124
124	Q	31.7	Very low	29.4	Very low	175 Å²	175	138 Å²	138	82%	0.818	80%	0.8	S	S	*	*				76.8	86.5	110.5	-151.3	-178.4	132.8	0	0	121.1
125	G	28.8	Very low	29.4	Very low	81 Å²	81	145.7 Å²	145.7	84%	0.835	81%	0.805	S	S	*	*			trans	102.5	169.1	131.5	0	0	0	0	0	119.7
126	G	29.2	Very low	29.2	Very low	82 Å²	82	136.2 Å²	136.2	85%	0.845	79%	0.789	S	S	*	*			trans	101.1	102.3	156.9	0	0	0	0	0	118.2	G128	G126-G128 PolarHBondContact O-N 2.82Å
127	R	29.9	Very low	29.2	Very low	256 Å²	256	140.5 Å²	140.5	97%	0.966	79%	0.786	S	S	*	*			trans	-62.5	124.5	169.5	-65.2	166.8	169.6	176.6	-4.9	113.3
128	G	26.1	Very low	29.2	Very low	78 Å²	78	144.4 Å²	144.4	80%	0.804	79%	0.79	S	S	*	*				71	124.8	117.7	0	0	0	0	0	122.5	G126	G126-G128 PolarHBondContact O-N 2.82Å
129	G	28	Very low	29.2	Very low	72 Å²	72	145 Å²	145	74%	0.742	79%	0.789	S	S	*	*			trans	114.8	162.3	134.7	0	0	0	0	0	119.5
130	F	25.6	Very low	29.1	Very low	192 Å²	192	145 Å²	145	84%	0.842	80%	0.798	S	S	*	*			trans	80.3	120.1	159.8	-67.3	-78.8	0	0	0	123.2
131	R	29	Very low	29.1	Very low	243 Å²	243	143 Å²	143	92%	0.917	80%	0.804	S	S	*	*				28.4	134.6	128.8	-72.5	-176.4	166.9	-166.3	-3.6	121.5
132	G	27.7	Very low	29	Very low	83 Å²	83	146.9 Å²	146.9	86%	0.856	82%	0.815	S	S	*	*			trans	151.1	142.1	145.1	0	0	0	0	0	113.1
133	G	26.3	Very low	29.1	Very low	67 Å²	67	148 Å²	148	69%	0.691	82%	0.818	S	S	*	*			cis	152.5	133	-10.5	0	0	0	0	0	113.5
134	Y	28.4	Very low	29.4	Very low	217 Å²	217	146.3 Å²	146.3	85%	0.851	82%	0.821	S	S	*	*			trans	-146.6	123.7	164.5	-87.3	-92.8	0	0	0	106.7
135	R	30.9	Very low	29.2	Very low	234 Å²	234	141.4 Å²	141.4	88%	0.883	82%	0.818	S	S	*	*			cis	91.3	120.2	49.1	-172.6	-173.5	-162	-175.9	6.3	110.8
136	G	26.5	Very low	29.4	Very low	64 Å²	64	146.5 Å²	146.5	66%	0.66	82%	0.82	S	S	*	*			cis	161.3	-179.8	-4.7	0	0	0	0	0	111.9
137	K	29.1	Very low	29.9	Very low	169 Å²	169	150.1 Å²	150.1	74%	0.735	82%	0.82	S	S	*	*			trans	64.5	152.6	179.8	-74.3	-158.5	166.2	-135.7	0	114.8	E139	K137-E139 IonicContact NZ-OE2 3.5Å
138	D	30.1	Very low	30.2	Very low	152 Å²	152	146.1 Å²	146.1	81%	0.813	81%	0.812	S	S	*	*			cis	-116.9	-178.3	21.8	-72.7	-59.6	0	0	0	115.9
139	E	31.6	Very low	30.7	Very low	158 Å²	158	144.9 Å²	144.9	74%	0.738	80%	0.799	S	S	*	*			trans	-119.3	134.1	-175.5	-59.4	164.2	127.6	0	0	110.7	K137	K137-E139 IonicContact NZ-OE2 3.5Å
140	E	30.2	Very low	31.1	Very low	206 Å²	206	147.7 Å²	147.7	96%	0.963	80%	0.804	S	S	*	*			trans	-141.3	152.6	144.6	-77.9	-152.9	153.7	0	0	108.7
141	A	31.7	Very low	31.7	Very low	89 Å²	89	144.4 Å²	144.4	74%	0.736	80%	0.8	S	S	*	*			trans	-125.2	149.6	-160.3	0	0	0	0	0	113.7
142	F	28	Very low	32.2	Very low	216 Å²	216	142 Å²	142	95%	0.947	80%	0.796	S	S	*	*			trans	-145.1	162.6	155.1	-98.7	-71.4	0	0	0	112.2
143	S	30.9	Very low	32.6	Very low	107 Å²	107	145.3 Å²	145.3	75%	0.748	79%	0.794	S	S	*	*			trans	-73.8	161.2	-156.2	-55.4	0	0	0	0	116.5
144	P	38	Very low	33.4	Very low	132 Å²	132	146.9 Å²	146.9	86%	0.857	79%	0.786	S	S	*	*			trans	-88.4	152.5	-173.7	35.5	-36.1	0	0	0	114.2
145	G	28.2	Very low	34.3	Very low	72 Å²	72	142.6 Å²	142.6	74%	0.742	79%	0.785	S	S	*	*			trans	154.1	91.6	163.3	0	0	0	0	0	114.9
146	E	31.9	Very low	35.2	Very low	187 Å²	187	136 Å²	136	87%	0.874	77%	0.768	S	S	*	*				174.7	145.6	106.3	-92	-174.7	168.6	0	0	110.8	Q148	E146-Q148 PolarHBondContact O-N 2.78Å
147	D	39.5	Very low	36.1	Very low	158 Å²	158	137.2 Å²	137.2	85%	0.845	77%	0.766	S	S	*	*			trans	-84.4	109.6	-175.8	-177	27.1	0	0	0	110.8
148	Q	36.6	Very low	37.3	Very low	173 Å²	173	136.8 Å²	136.8	81%	0.808	77%	0.771	S	S	*	*			trans	-113.1	115	166.3	-67	-168.4	31.8	0	0	109	E146	E146-Q148 PolarHBondContact O-N 2.78Å
149	G	36.5	Very low	38.7	Very low	51 Å²	51	136 Å²	136	53%	0.526	76%	0.761	S	S	.	*			trans	-59.3	166.7	-177.8	0	0	0	0	0	113.7	V151	G149-V151 PolarHBondContact O-N 2.81Å
150	P	35.9	Very low	40.4	Very low	131 Å²	131	134.2 Å²	134.2	85%	0.851	76%	0.763	S	S	*	*			trans	-58.5	112.9	-164	23	-34.5	0	0	0	112.4	K152	P150-K152 PolarHBondContact O-N 3.07Å
151	V	39.6	Very low	42.5	Very low	124 Å²	124	135.5 Å²	135.5	75%	0.752	76%	0.759	S	S	*	*			trans	-54.8	128.1	161.9	179.6	0	0	0	0	107	G149 D153	G149-V151 PolarHBondContact O-N 2.81Å; V151-D153 PolarHBondContact O-N 3.38Å
152	K	38.2	Very low	44.8	Very low	193 Å²	193	134.7 Å²	134.7	84%	0.839	75%	0.745	S	S	*	*			trans	-71.8	117.7	170.2	-72.1	179.2	177.2	176.9	0	107.7	P150 D154	P150-K152 PolarHBondContact O-N 3.07Å; K152-D154 PolarHBondContact O-N 2.84Å
153	D	36.3	Very low	47.7	Very low	151 Å²	151	130.2 Å²	130.2	81%	0.807	74%	0.735	S	S	*	*			trans	-59	103	172.3	-60.8	-56.2	0	0	0	109.5	V151 P155	V151-D153 PolarHBondContact O-N 3.38Å; D153-P155 WeakPolarHBondContact O-CD 3.16Å
154	D	43.7	Very low	50.5	Low	101 Å²	101	127.3 Å²	127.3	54%	0.54	71%	0.708	S	S	.	*			trans	-81	115.6	170.7	-171.9	-25.6	0	0	0	107.6	K152 D156 S157	K152-D154 PolarHBondContact O-N 2.84Å; D154-D156 PolarHBondContact O-N 3.41Å; D154-D156 PolarHBondContact OD1-N 2.7Å; D154-D156 VanDerWaalsContact OD1-N 3.16Å; D154-S157 VanDerWaalsContact O-CB 3.25Å; D154-S157 WeakPolarHBondContact O-CB 3.14Å; D154-S157 PolarHBondContact O-N 3.4Å; D154-S157 PolarHBondContact O-OG 3.33Å
155	P	48	Very low	53.1	Low	126 Å²	126	124.2 Å²	124.2	82%	0.818	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-2.6	-174.7	28.3	-35.7	0	0	0	114.2	D153	D153-P155 WeakPolarHBondContact O-CD 3.16Å
156	D	48.9	Very low	55.9	Low	97 Å²	97	121.6 Å²	121.6	52%	0.519	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.8	-5.3	170.4	-146.6	43.6	0	0	0	113.7	D154 D158 K159	D154-D156 PolarHBondContact O-N 3.41Å; D154-D156 PolarHBondContact OD1-N 2.7Å; D154-D156 VanDerWaalsContact OD1-N 3.16Å; D156-D158 PolarHBondContact O-N 3.22Å; D156-K159 WeakPolarHBondContact OD1-CD 3.34Å; D156-K159 WeakPolarHBondContact OD1-CE 3.24Å; D156-K159 IonicContact OD1-NZ 2.74Å; D156-K159 PolarHBondContact OD1-NZ 2.69Å
157	S	46.6	Very low	58.4	Low	89 Å²	89	117 Å²	117	62%	0.622	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-24.9	-173.1	62	0	0	0	0	115.6	D154 K159	D154-S157 VanDerWaalsContact O-CB 3.25Å; D154-S157 WeakPolarHBondContact O-CB 3.14Å; D154-S157 PolarHBondContact O-N 3.4Å; D154-S157 PolarHBondContact O-OG 3.33Å; S157-K159 PolarHBondContact O-N 3.27Å
158	D	54.1	Low	60.6	Low	159 Å²	159	115.8 Å²	115.8	85%	0.85	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-8.1	179.6	-101.6	-23.9	0	0	0	114.1	D156	D156-D158 PolarHBondContact O-N 3.22Å
159	K	58.6	Low	62.9	Low	136 Å²	136	110.3 Å²	110.3	59%	0.591	62%	0.617	S	S	*	*	S	Bend	trans	-79.9	126.2	179.9	-72.5	169.3	-172.3	158.4	0	110.6	D156 S157 R161	D156-K159 WeakPolarHBondContact OD1-CD 3.34Å; D156-K159 WeakPolarHBondContact OD1-CE 3.24Å; D156-K159 IonicContact OD1-NZ 2.74Å; D156-K159 PolarHBondContact OD1-NZ 2.69Å; S157-K159 PolarHBondContact O-N 3.27Å; K159-R161 PolarHBondContact O-N 3.37Å
160	P	67.6	Low	65	Low	121 Å²	121	110.8 Å²	110.8	79%	0.786	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-59.7	129	179.4	23.9	-33.2	0	0	0	110.7	V162	P160-V162 PolarHBondContact O-N 3.1Å
161	R	73	Confident	67.2	Low	232 Å²	232	112.5 Å²	112.5	88%	0.875	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-60.6	123.4	-176.2	-66.8	-178	179.5	-178.8	0.9	110.3	K159 T163	K159-R161 PolarHBondContact O-N 3.37Å; R161-T163 PolarHBondContact O-N 3.09Å
162	V	81.4	Confident	69.4	Low	72 Å²	72	110.1 Å²	110.1	44%	0.436	59%	0.591	S	S	.	*			trans	-62.1	108.9	178.7	-178.4	0	0	0	0	110.4	P160 G320 S322	P160-V162 PolarHBondContact O-N 3.1Å; V162-G320 VanDerWaalsContact CG1-O 3.29Å; V162-G320 WeakPolarHBondContact CG1-O 3.22Å; V162-S322 WeakPolarHBondContact O-CA 3.49Å; V162-S322 WeakPolarHBondContact O-CB 3.48Å
163	T	88	Confident	71.5	Confident	122 Å²	122	105.1 Å²	105.1	75%	0.748	57%	0.57	S	S	*	*			trans	-88.4	-13.9	-179.7	50.7	0	0	0	0	113.5	R161 V165	R161-T163 PolarHBondContact O-N 3.09Å; T163-V165 PolarHBondContact O-N 3.26Å
164	Y	91.1	Very high	73.6	Confident	47 Å²	47	104.6 Å²	104.6	18%	0.184	57%	0.568	C	S	.	*			trans	-57.9	128.9	-173.8	-177.7	-124.9	0	0	0	112.7	P166 V321 S322 Q494 R495 E498	Y164-P166 HydrophobicContact CE1-CG 4.14Å; Y164-V321 HydrophobicContact CD1-CG2 4.06Å; Y164-V321 HydrophobicContact CE1-CG2 4.4Å; Y164-S322 VanDerWaalsContact O-CB 3.32Å; Y164-S322 WeakPolarHBondContact O-CB 3.48Å; Y164-S322 PolarHBondContact O-N 3.45Å; Y164-Q494 HydrophobicContact CD1-CB 4.11Å; Y164-Q494 HydrophobicContact CD1-CG 4.26Å; Y164-Q494 HydrophobicContact CE1-CB 4.4Å; Y164-Q494 HydrophobicContact CE1-CG 4.23Å; Y164-R495 HydrophobicContact CD1-CB 4.36Å; Y164-R495 HydrophobicContact CD2-CB 3.82Å; Y164-R495 HydrophobicContact CD2-CG 4.2Å; Y164-R495 HydrophobicContact CE1-CB 4.13Å; Y164-R495 HydrophobicContact CE2-CB 3.59Å; Y164-R495 HydrophobicContact CE2-CG 3.67Å; Y164-R495 HydrophobicContact CG-CB 4.21Å; Y164-E498 PolarHBondContact OH-OE2 3.15Å
165	V	90.7	Very high	75.3	Confident	66 Å²	66	102.3 Å²	102.3	40%	0.4	56%	0.56	S	S	.	*			trans	-118.4	120.7	171	178.8	0	0	0	0	106.5	T163 Y325	T163-V165 PolarHBondContact O-N 3.26Å; V165-Y325 HydrophobicContact CG1-CD1 4.19Å; V165-Y325 HydrophobicContact CG1-CD2 3.76Å; V165-Y325 HydrophobicContact CG1-CE1 4.39Å; V165-Y325 HydrophobicContact CG1-CE2 4Å; V165-Y325 HydrophobicContact CG1-CG 3.86Å; V165-Y325 HydrophobicContact CG2-CG 4.39Å
166	P	86.9	Confident	77	Confident	17 Å²	17	97.1 Å²	97.1	11%	0.11	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-55.3	153.1	173.9	-27.9	35.6	0	0	0	112.1	Y164 Y318 V321 Y325	Y164-P166 HydrophobicContact CE1-CG 4.14Å; P166-Y318 WeakPolarHBondContact CG-OH 3.03Å; P166-V321 HydrophobicContact CG-CB 4.48Å; P166-V321 HydrophobicContact CG-CG1 4.08Å; P166-V321 HydrophobicContact CG-CG2 3.53Å; P166-Y325 HydrophobicContact CG-CE1 4.45Å
167	P	85.8	Confident	78.8	Confident	91 Å²	91	93.1 Å²	93.1	59%	0.591	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-56.7	146.3	172.2	26.3	-34.6	0	0	0	110.7	L169	P167-L169 PolarHBondContact O-N 3.44Å
168	T	84.6	Confident	80.2	Confident	132 Å²	132	92.7 Å²	92.7	81%	0.81	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-60.3	121.2	171.3	44.9	0	0	0	0	109.1
169	L	85	Confident	80.9	Confident	58 Å²	58	89.9 Å²	89.9	30%	0.304	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-62.6	144.9	176.5	-65.8	175.7	0	0	0	110.3	P167 Y300 L301	P167-L169 PolarHBondContact O-N 3.44Å; L169-Y300 HydrophobicContact CD1-CD1 4.44Å; L169-Y300 HydrophobicContact CD1-CE1 3.62Å; L169-L301 HydrophobicContact CD1-CD2 3.62Å; L169-L301 HydrophobicContact CD2-CD2 4Å; L169-L301 HydrophobicContact CG-CD2 4.42Å
170	P	82	Confident	81	Confident	62 Å²	62	88 Å²	88	40%	0.403	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-63.2	152.6	176.2	-15.5	28.1	0	0	0	112.2	D172 R304	P170-D172 WeakPolarHBondContact CB-OD1 3.37Å; P170-R304 PolarHBondContact O-NH1 2.67Å; P170-R304 PolarHBondContact O-NH2 2.9Å
171	E	81.4	Confident	80.8	Confident	166 Å²	166	90.6 Å²	90.6	78%	0.776	47%	0.47	S	S	*	.			trans	-117.3	0.1	177.3	-62	-165.4	149.8	0	0	112.7
172	D	84.8	Confident	80.6	Confident	75 Å²	75	82.9 Å²	82.9	40%	0.401	45%	0.452	S	S	.	.	S	Bend	trans	-70.6	148.4	168.7	57.5	-74.1	0	0	0	112	P170 D174 S175 I176	P170-D172 WeakPolarHBondContact CB-OD1 3.37Å; D172-D174 PolarHBondContact O-N 3.47Å; D172-S175 PolarHBondContact OD1-OG 3.1Å; D172-S175 WeakPolarHBondContact OD2-CB 3.41Å; D172-S175 PolarHBondContact OD2-N 3.24Å; D172-S175 PolarHBondContact OD2-OG 3.3Å; D172-I176 WeakPolarHBondContact O-CG1 3.49Å; D172-I176 PolarHBondContact O-N 2.86Å
173	E	82.7	Confident	79.8	Confident	87 Å²	87	80 Å²	80	41%	0.407	44%	0.437	S	S	.	.	H	α-helix	trans	-67.9	-39.2	-172.6	-166.4	165.4	113.9	0	0	112.1	S175 I176 F177 K223 H308	E173-S175 PolarHBondContact O-N 2.99Å; E173-I176 PolarHBondContact O-N 3.36Å; E173-F177 HydrophobicContact CG-CD2 3.49Å; E173-F177 VanDerWaalsContact CG-CD2 3.49Å; E173-F177 HydrophobicContact CG-CE2 3.8Å; E173-F177 WeakPolarHBondContact O-CD2 3.25Å; E173-F177 PolarHBondContact O-N 3.46Å; E173-K223 WeakPolarHBondContact OE1-CE 3.23Å; E173-K223 IonicContact OE1-NZ 2.81Å; E173-K223 PolarHBondContact OE1-NZ 3.5Å; E173-K223 IonicContact OE2-NZ 2.78Å; E173-K223 PolarHBondContact OE2-NZ 3.49Å; E173-H308 IonicContact OE2-CE1 3.23Å
174	D	80.6	Confident	79	Confident	141 Å²	141	81.8 Å²	81.8	75%	0.754	44%	0.44	S	S	*	.	H	α-helix	trans	-62.4	-42.9	-179.1	-61.4	-46.9	0	0	0	112	D172 S178	D172-D174 PolarHBondContact O-N 3.47Å; D174-S178 PolarHBondContact O-N 2.95Å
175	S	80.4	Confident	78.1	Confident	53 Å²	53	80.6 Å²	80.6	37%	0.371	44%	0.437	S	S	.	.	H	α-helix	trans	-66.2	-39.9	173.9	-64.3	0	0	0	0	112.5	D172 E173 S178	D172-S175 PolarHBondContact OD1-OG 3.1Å; D172-S175 WeakPolarHBondContact OD2-CB 3.41Å; D172-S175 PolarHBondContact OD2-N 3.24Å; D172-S175 PolarHBondContact OD2-OG 3.3Å; E173-S175 PolarHBondContact O-N 2.99Å; S175-S178 PolarHBondContact O-OG 2.97Å
176	I	83.9	Confident	77.3	Confident	16 Å²	16	79 Å²	79	8%	0.082	43%	0.425	C	S	.	.	H	α-helix	trans	-67.7	-43.4	-178.5	-70.5	171.7	0	0	0	111.5	D172 E173 K305 H308	D172-I176 WeakPolarHBondContact O-CG1 3.49Å; D172-I176 PolarHBondContact O-N 2.86Å; E173-I176 PolarHBondContact O-N 3.36Å; I176-K305 HydrophobicContact CG2-CB 4.3Å; I176-K305 HydrophobicContact CG2-CG 4.31Å; I176-K305 WeakPolarHBondContact O-CE 3.16Å; I176-K305 WeakPolarHBondContact O-CG 3.43Å; I176-H308 HydrophobicContact CG2-CB 4.48Å
177	F	85.6	Confident	76.9	Confident	13 Å²	13	83.1 Å²	83.1	6%	0.057	45%	0.446	C	S	.	.	S	Bend	trans	-95.8	10.1	-178.2	-67.5	-77.2	0	0	0	114	E173 H179 N220 K223 K305 H308	E173-F177 HydrophobicContact CG-CD2 3.49Å; E173-F177 VanDerWaalsContact CG-CD2 3.49Å; E173-F177 HydrophobicContact CG-CE2 3.8Å; E173-F177 WeakPolarHBondContact O-CD2 3.25Å; E173-F177 PolarHBondContact O-N 3.46Å; F177-H179 PolarHBondContact O-N 3.17Å; F177-H179 PolarHBondContact O-ND1 3.04Å; F177-N220 HydrophobicContact CE1-CB 3.9Å; F177-N220 WeakPolarHBondContact CE1-O 3.42Å; F177-N220 HydrophobicContact CZ-CB 4.12Å; F177-N220 WeakPolarHBondContact CZ-OD1 3.44Å; F177-K223 HydrophobicContact CB-CB 4.19Å; F177-K223 HydrophobicContact CD1-CB 3.39Å; F177-K223 HydrophobicContact CD2-CB 4.18Å; F177-K223 HydrophobicContact CD2-CD 4.06Å; F177-K223 HydrophobicContact CE1-CB 3.73Å; F177-K223 HydrophobicContact CE1-CD 4.34Å; F177-K223 HydrophobicContact CE2-CB 4.45Å; F177-K223 HydrophobicContact CE2-CD 3.86Å; F177-K223 HydrophobicContact CG-CB 3.64Å; F177-K223 HydrophobicContact CG-CD 4.37Å; F177-K223 HydrophobicContact CZ-CB 4.24Å; F177-K223 HydrophobicContact CZ-CD 4Å; F177-K305 HydrophobicContact CD1-CD 4.19Å; F177-K305 HydrophobicContact CD1-CG 3.57Å; F177-K305 HydrophobicContact CE1-CG 3.65Å; F177-K305 WeakPolarHBondContact CE1-O 3.49Å; F177-K305 HydrophobicContact CG-CG 4.4Å; F177-H308 HydrophobicContact CE2-CB 4.22Å; F177-H308 AromaticContact CE2-CG 3.88Å; F177-H308 AromaticContact CE2-ND1 3.5Å; F177-H308 WeakPolarHBondContact CE2-ND1 3.45Å; F177-H308 HydrophobicContact CZ-CB 3.83Å; F177-H308 AromaticContact CZ-CG 3.98Å; F177-H308 AromaticContact CZ-ND1 3.76Å
178	S	77	Confident	76.4	Confident	80 Å²	80	84.2 Å²	84.2	56%	0.559	44%	0.441	S	S	*	.			trans	-51.6	123.4	165.9	64.1	0	0	0	0	110	D174 S175	D174-S178 PolarHBondContact O-N 2.95Å; S175-S178 PolarHBondContact O-OG 2.97Å
179	H	66.9	Low	75.9	Confident	100 Å²	100	78.6 Å²	78.6	46%	0.463	41%	0.405	S	S	.	.			trans	-144.1	156.9	-172	63.7	-93.5	0	0	0	111.2	F177 S224	F177-H179 PolarHBondContact O-N 3.17Å; F177-H179 PolarHBondContact O-ND1 3.04Å; H179-S224 VanDerWaalsContact CB-O 3.27Å; H179-S224 WeakPolarHBondContact CB-O 3.15Å
180	Y	61.8	Low	75.5	Confident	97 Å²	97	79.3 Å²	79.3	38%	0.38	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-86.1	144.5	178.2	-151.8	-100.3	0	0	0	110.5	P525 D526	Y180-P525 HydrophobicContact CD2-CB 3.54Å; Y180-P525 HydrophobicContact CE2-CB 3.64Å; Y180-D526 HydrophobicContact CE2-CB 4.41Å; Y180-D526 WeakPolarHBondContact CE2-OD2 3.31Å; Y180-D526 WeakPolarHBondContact OH-CA 3.41Å; Y180-D526 PolarHBondContact OH-N 3.23Å; Y180-D526 PolarHBondContact OH-OD1 2.68Å
181	K	64.2	Low	75.4	Confident	175 Å²	175	82.5 Å²	82.5	76%	0.761	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-74.7	133.1	174.1	-67.6	-174.2	178.8	-178	0	110	G183 N554	K181-G183 PolarHBondContact O-N 3.22Å; K181-N554 PolarHBondContact O-ND2 2.96Å
182	S	67.1	Low	75.4	Confident	70 Å²	70	76.8 Å²	76.8	49%	0.49	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-57.2	135.3	168.3	-61.2	0	0	0	0	110.2
183	G	64.6	Low	75.4	Confident	12 Å²	12	80.3 Å²	80.3	12%	0.124	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-85.1	172.9	179.3	0	0	0	0	0	113.1	K181 N185 F186 C552 G553 N554	K181-G183 PolarHBondContact O-N 3.22Å; G183-N185 PolarHBondContact O-N 2.86Å; G183-N185 VanDerWaalsContact O-N 3.14Å; G183-F186 VanDerWaalsContact O-CB 3.25Å; G183-F186 WeakPolarHBondContact O-CB 3.33Å; G183-F186 PolarHBondContact O-N 2.84Å; G183-C552 PolarHBondContact N-O 3Å; G183-G553 CarbonylContact C-O 3.6Å; G183-G553 WeakPolarHBondContact CA-O 3.38Å; G183-N554 WeakPolarHBondContact CA-OD1 3.43Å; G183-N554 PolarHBondContact N-ND2 2.96Å
184	I	71.2	Confident	75.7	Confident	159 Å²	159	78.4 Å²	78.4	82%	0.815	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.1	-171.7	-57.6	169.3	0	0	0	112.8	G553	I184-G553 PolarHBondContact N-O 2.7Å; I184-G553 VanDerWaalsContact N-O 3.14Å
185	N	72.6	Confident	76.3	Confident	22 Å²	22	74.9 Å²	74.9	12%	0.118	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	5.1	-179.4	-66.9	-17.5	0	0	0	114	G183 D187 K188 D432 G553	G183-N185 PolarHBondContact O-N 2.86Å; G183-N185 VanDerWaalsContact O-N 3.14Å; N185-D187 PolarHBondContact O-N 2.66Å; N185-D187 VanDerWaalsContact O-N 3.15Å; N185-K188 HydrophobicContact CB-CD 3.95Å; N185-K188 HydrophobicContact CB-CG 4.44Å; N185-K188 WeakPolarHBondContact O-CB 3.44Å; N185-K188 PolarHBondContact O-N 2.99Å; N185-K188 WeakPolarHBondContact OD1-CE 3.35Å; N185-K188 PolarHBondContact OD1-NZ 3.02Å; N185-D432 WeakPolarHBondContact CB-OD1 3.49Å; N185-D432 PolarHBondContact ND2-OD1 2.79Å; N185-G553 WeakPolarHBondContact CB-O 3.28Å; N185-G553 PolarHBondContact N-O 3.18Å
186	F	74.7	Confident	76.9	Confident	33 Å²	33	74.5 Å²	74.5	15%	0.145	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-61.2	-27.5	-175.3	-173.2	-97.5	0	0	0	113.1	G183 Y189 K228 T230	G183-F186 VanDerWaalsContact O-CB 3.25Å; G183-F186 WeakPolarHBondContact O-CB 3.33Å; G183-F186 PolarHBondContact O-N 2.84Å; F186-Y189 AromaticContact CD2-CD2 3.86Å; F186-Y189 HydrophobicContact CD2-CD2 3.86Å; F186-Y189 AromaticContact CD2-CE2 3.81Å; F186-Y189 HydrophobicContact CD2-CE2 3.81Å; F186-Y189 HydrophobicContact CE2-CD2 4.11Å; F186-Y189 HydrophobicContact CE2-CE2 4.19Å; F186-Y189 HydrophobicContact CG-CD2 4.42Å; F186-Y189 WeakPolarHBondContact O-CB 3.5Å; F186-Y189 PolarHBondContact O-N 3.33Å; F186-K228 HydrophobicContact CE1-CD 4.44Å; F186-K228 HydrophobicContact CE1-CG 3.84Å; F186-T230 HydrophobicContact CE2-CG2 4.04Å; F186-T230 HydrophobicContact CZ-CG2 3.96Å
187	D	78.1	Confident	77.3	Confident	103 Å²	103	74.1 Å²	74.1	55%	0.551	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-73.1	-26.9	175.4	-64.5	-34.8	0	0	0	113.2	N185 Y189 D190 K228	N185-D187 PolarHBondContact O-N 2.66Å; N185-D187 VanDerWaalsContact O-N 3.15Å; D187-Y189 PolarHBondContact O-N 3.01Å; D187-Y189 VanDerWaalsContact O-N 3.08Å; D187-D190 WeakPolarHBondContact O-CB 3.4Å; D187-D190 PolarHBondContact O-N 3.42Å; D187-K228 VanDerWaalsContact OD1-CE 3.26Å; D187-K228 WeakPolarHBondContact OD1-CE 3.33Å; D187-K228 IonicContact OD1-NZ 2.73Å; D187-K228 PolarHBondContact OD1-NZ 3.19Å
188	K	75.3	Confident	77.5	Confident	115 Å²	115	75.3 Å²	75.3	50%	0.5	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-65.8	-10.8	174.9	-58.8	179.6	179.5	164.3	0	113.1	N185 D190 D191	N185-K188 HydrophobicContact CB-CD 3.95Å; N185-K188 HydrophobicContact CB-CG 4.44Å; N185-K188 WeakPolarHBondContact O-CB 3.44Å; N185-K188 PolarHBondContact O-N 2.99Å; N185-K188 WeakPolarHBondContact OD1-CE 3.35Å; N185-K188 PolarHBondContact OD1-NZ 3.02Å; K188-D190 PolarHBondContact O-N 2.93Å; K188-D191 PolarHBondContact O-N 3.49Å
189	Y	74.6	Confident	78.2	Confident	13 Å²	13	75.4 Å²	75.4	5%	0.051	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-67.8	-20.5	169.9	-65.3	-21.7	0	0	0	112.6	F186 D187 D191 I192 P231 D432 C552 G553	F186-Y189 AromaticContact CD2-CD2 3.86Å; F186-Y189 HydrophobicContact CD2-CD2 3.86Å; F186-Y189 AromaticContact CD2-CE2 3.81Å; F186-Y189 HydrophobicContact CD2-CE2 3.81Å; F186-Y189 HydrophobicContact CE2-CD2 4.11Å; F186-Y189 HydrophobicContact CE2-CE2 4.19Å; F186-Y189 HydrophobicContact CG-CD2 4.42Å; F186-Y189 WeakPolarHBondContact O-CB 3.5Å; F186-Y189 PolarHBondContact O-N 3.33Å; D187-Y189 PolarHBondContact O-N 3.01Å; D187-Y189 VanDerWaalsContact O-N 3.08Å; Y189-D191 VanDerWaalsContact C-N 3.29Å; Y189-I192 HydrophobicContact CD1-CD1 3.66Å; Y189-I192 HydrophobicContact CE1-CD1 4.38Å; Y189-I192 HydrophobicContact CG-CD1 4.48Å; Y189-I192 PolarHBondContact O-N 3.18Å; Y189-P231 WeakPolarHBondContact O-CG 3.47Å; Y189-D432 PolarHBondContact OH-OD2 2.84Å; Y189-C552 PolarHBondContact OH-N 3.01Å; Y189-G553 PolarHBondContact OH-N 2.69Å
190	D	76.6	Confident	79.4	Confident	73 Å²	73	77.5 Å²	77.5	39%	0.39	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-72.6	-22.2	174.4	-68.3	-45.8	0	0	0	113	D187 K188 K228 K234	D187-D190 WeakPolarHBondContact O-CB 3.4Å; D187-D190 PolarHBondContact O-N 3.42Å; K188-D190 PolarHBondContact O-N 2.93Å; D190-K228 IonicContact OD2-NZ 3.16Å; D190-K228 PolarHBondContact OD2-NZ 2.9Å; D190-K234 IonicContact OD1-NZ 2.82Å; D190-K234 PolarHBondContact OD1-NZ 3.5Å
191	D	79.1	Confident	80.9	Confident	130 Å²	130	75.9 Å²	75.9	70%	0.695	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-83.3	-7.5	175.8	-56.7	-53.4	0	0	0	113.5	K188 Y189 L193	K188-D191 PolarHBondContact O-N 3.49Å; Y189-D191 VanDerWaalsContact C-N 3.29Å; D191-L193 PolarHBondContact O-N 3.46Å
192	I	80.9	Confident	82.3	Confident	45 Å²	45	69.4 Å²	69.4	23%	0.231	39%	0.388	C	S	.	.	S	Bend	trans	-74.3	116.1	-177.2	-66.2	-177.9	0	0	0	110.3	Y189 V423	Y189-I192 HydrophobicContact CD1-CD1 3.66Å; Y189-I192 HydrophobicContact CE1-CD1 4.38Å; Y189-I192 HydrophobicContact CG-CD1 4.48Å; Y189-I192 PolarHBondContact O-N 3.18Å; I192-V423 HydrophobicContact CG2-CG1 3.81Å
193	L	84.8	Confident	83.6	Confident	150 Å²	150	76.5 Å²	76.5	79%	0.785	40%	0.404	S	S	*	.			trans	-53.4	136.3	174.1	-62	176.9	0	0	0	112.1	D191 G424	D191-L193 PolarHBondContact O-N 3.46Å; L193-G424 PolarHBondContact O-N 3.45Å
194	V	89.9	Confident	85	Confident	47 Å²	47	76.8 Å²	76.8	29%	0.285	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.8	175.9	-175.3	0	0	0	0	110	I196 P231 L421 A422 V423	V194-I196 HydrophobicContact CG1-CD1 4.38Å; V194-I196 HydrophobicContact CG1-CG1 4.02Å; V194-P231 HydrophobicContact CG2-CB 4.09Å; V194-L421 HydrophobicContact CG1-CD1 3.4Å; V194-A422 VanDerWaalsContact CA-O 3.31Å; V194-A422 WeakPolarHBondContact CA-O 3.41Å; V194-V423 HydrophobicContact CG1-CG2 4.27Å; V194-V423 HydrophobicContact CG2-CG2 4.2Å
195	D	92.4	Very high	86.2	Confident	67 Å²	67	69.8 Å²	69.8	36%	0.358	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.9	166.9	179.1	33.6	0	0	0	109.4	A422 K614	D195-A422 HydrophobicContact CB-CB 4.45Å; D195-A422 PolarHBondContact N-O 2.7Å; D195-A422 PolarHBondContact O-N 2.82Å; D195-K614 IonicContact OD1-NZ 3.33Å; D195-K614 PolarHBondContact OD1-NZ 3.34Å; D195-K614 IonicContact OD2-NZ 2.75Å; D195-K614 PolarHBondContact OD2-NZ 2.83Å
196	I	92.8	Very high	87.1	Confident	45 Å²	45	73.9 Å²	73.9	23%	0.231	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130.9	176.1	-51.8	-176.6	0	0	0	108.5	V194 P201 H235 F420 L421	V194-I196 HydrophobicContact CG1-CD1 4.38Å; V194-I196 HydrophobicContact CG1-CG1 4.02Å; I196-P201 HydrophobicContact CG2-CB 3.84Å; I196-P201 HydrophobicContact CG2-CG 4.42Å; I196-H235 HydrophobicContact CD1-CB 4.07Å; I196-H235 WeakPolarHBondContact CD1-ND1 3.07Å; I196-F420 CarbonylContact C-O 3.48Å; I196-F420 VanDerWaalsContact CA-O 3.31Å; I196-F420 WeakPolarHBondContact CA-O 3.34Å; I196-L421 HydrophobicContact CD1-CD1 4.01Å; I196-L421 HydrophobicContact CG1-CD1 3.81Å
197	S	92.3	Very high	88	Confident	7 Å²	7	75.4 Å²	75.4	5%	0.049	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150.1	-178.9	54	0	0	0	0	113.2	L419 F420 D611 R613 K614	S197-L419 WeakPolarHBondContact O-CA 3.31Å; S197-F420 PolarHBondContact N-O 3.21Å; S197-F420 PolarHBondContact O-N 2.77Å; S197-F420 WeakPolarHBondContact OG-CD1 3.21Å; S197-D611 WeakPolarHBondContact OG-CB 3.34Å; S197-D611 PolarHBondContact OG-OD2 2.75Å; S197-D611 VanDerWaalsContact OG-OD2 3.08Å; S197-R613 PolarHBondContact O-NH2 3.26Å; S197-K614 VanDerWaalsContact CB-CE 3.5Å
198	G	90.9	Very high	88.7	Confident	38 Å²	38	71.1 Å²	71.1	39%	0.392	38%	0.377	S	S	.	.	S	Bend	trans	113.8	177.8	-161.2	0	0	0	0	0	111.2
199	T	90.8	Very high	89.4	Confident	82 Å²	82	70.2 Å²	70.2	50%	0.503	38%	0.378	S	S	.	.	S	Bend	trans	-89.8	137.6	-170.1	49.7	0	0	0	0	112.6	R244	T199-R244 PolarHBondContact O-NH1 2.86Å; T199-R244 PolarHBondContact O-NH2 3.2Å; T199-R244 PolarHBondContact OG1-NH2 3Å
200	N	92.9	Very high	90.2	Very high	145 Å²	145	74 Å²	74	78%	0.775	40%	0.396	S	S	*	.	S	Bend	trans	45.1	63.1	172.8	-59.5	-13.3	0	0	0	114	R244	N200-R244 PolarHBondContact O-NH1 3.02Å
201	P	93.1	Very high	90.7	Very high	63 Å²	63	71.1 Å²	71.1	41%	0.409	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-65.2	132.2	174.9	28	-34.1	0	0	0	111.1	I196 L419	I196-P201 HydrophobicContact CG2-CB 3.84Å; I196-P201 HydrophobicContact CG2-CG 4.42Å; P201-L419 HydrophobicContact CB-CD1 4.13Å; P201-L419 HydrophobicContact CB-CD2 4.23Å
202	P	94.4	Very high	91	Very high	39 Å²	39	69 Å²	69	25%	0.253	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-56.6	150.7	170.6	-27.8	37	0	0	0	112.8	P238 A242	P202-P238 HydrophobicContact CB-CB 4.23Å; P202-A242 HydrophobicContact CG-CB 3.64Å
203	R	93.9	Very high	91.5	Very high	219 Å²	219	67.2 Å²	67.2	83%	0.826	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-63	139.3	175	-176.9	178.6	171.7	167.4	0.2	110.3	P238	R203-P238 WeakPolarHBondContact O-CG 3.32Å
204	A	94.6	Very high	91.7	Very high	18 Å²	18	61.8 Å²	61.8	15%	0.149	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-64.1	142.2	173.6	0	0	0	0	0	112.1	K234 H235	A204-K234 WeakPolarHBondContact CA-O 3.06Å; A204-H235 VanDerWaalsContact CB-CE1 3.42Å; A204-H235 WeakPolarHBondContact CB-CE1 3.46Å; A204-H235 WeakPolarHBondContact CB-ND1 3.47Å
205	I	95.1	Very high	91.8	Very high	11 Å²	11	66.9 Å²	66.9	6%	0.056	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-83.6	147.3	166.2	62.4	176.8	0	0	0	109.8	E210 A211 K234 I237 P238	I205-E210 WeakPolarHBondContact CA-OE2 3.49Å; I205-E210 HydrophobicContact CB-CB 3.87Å; I205-E210 HydrophobicContact CG2-CB 3.77Å; I205-A211 HydrophobicContact CD1-CB 3.75Å; I205-K234 WeakPolarHBondContact CG1-O 3.34Å; I205-K234 PolarHBondContact N-O 2.76Å; I205-K234 VanDerWaalsContact O-CB 3.25Å; I205-K234 WeakPolarHBondContact O-CB 3.46Å; I205-K234 VanDerWaalsContact O-CG 3.22Å; I205-K234 WeakPolarHBondContact O-CG 3.4Å; I205-I237 HydrophobicContact CD1-CB 4.07Å; I205-I237 HydrophobicContact CD1-CD1 4.27Å; I205-I237 HydrophobicContact CD1-CG2 4.15Å; I205-P238 HydrophobicContact CG2-CB 4.41Å; I205-P238 HydrophobicContact CG2-CG 4.25Å
206	M	92.1	Very high	91.7	Very high	108 Å²	108	66 Å²	66	53%	0.532	37%	0.368	S	S	.	.	S	Bend	trans	-99.6	-29.6	172.6	-63	-60.8	173.1	0	0	112.6	E210 P229 K234	M206-E210 PolarHBondContact N-OE1 3.03Å; M206-E210 PolarHBondContact N-OE2 2.79Å; M206-P229 WeakPolarHBondContact O-CD 3.47Å; M206-P229 VanDerWaalsContact O-CG 3.28Å; M206-P229 WeakPolarHBondContact O-CG 3.16Å; M206-K234 HydrophobicContact SD-CD 4.37Å
207	T	93.3	Very high	91.7	Very high	65 Å²	65	63.9 Å²	63.9	40%	0.399	36%	0.357	S	S	.	.	S	Bend	trans	-123.3	163.2	179	65.3	0	0	0	0	111.8	D209 E210	T207-D209 PolarHBondContact O-N 2.99Å; T207-E210 WeakPolarHBondContact CB-OE1 3.4Å; T207-E210 WeakPolarHBondContact CG2-OE1 3.28Å; T207-E210 PolarHBondContact N-OE1 2.85Å; T207-E210 PolarHBondContact OG1-N 3.39Å; T207-E210 PolarHBondContact OG1-OE1 3.31Å
208	F	92.3	Very high	91.7	Very high	13 Å²	13	68.4 Å²	68.4	6%	0.057	37%	0.373	C	S	.	.	S	Bend	trans	-69.9	-15.8	172	-73.7	-65.4	0	0	0	113.5	A211 I221 Y226 P229 I237 L262	F208-A211 WeakPolarHBondContact O-CB 3.26Å; F208-A211 PolarHBondContact O-N 2.64Å; F208-I221 HydrophobicContact CD1-CD1 4.29Å; F208-I221 HydrophobicContact CD1-CG2 4.47Å; F208-I221 HydrophobicContact CD2-CG2 3.87Å; F208-I221 HydrophobicContact CE2-CG2 4.11Å; F208-I221 HydrophobicContact CG-CG2 4.06Å; F208-Y226 HydrophobicContact CE2-CD2 4.46Å; F208-Y226 HydrophobicContact CZ-CD2 4.02Å; F208-P229 HydrophobicContact CD1-CB 4.36Å; F208-P229 HydrophobicContact CE1-CB 3.93Å; F208-P229 HydrophobicContact CE2-CB 4.35Å; F208-P229 HydrophobicContact CZ-CB 3.92Å; F208-I237 HydrophobicContact CD1-CD1 4.49Å; F208-I237 HydrophobicContact CE1-CD1 4.18Å; F208-L262 HydrophobicContact CD1-CD1 4.39Å; F208-L262 HydrophobicContact CE1-CD1 3.96Å
209	D	89.9	Confident	91.8	Very high	97 Å²	97	72 Å²	72	52%	0.519	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-33.1	-179.9	-74.7	-2.7	0	0	0	111.9	T207 A211 A212 R218	T207-D209 PolarHBondContact O-N 2.99Å; D209-A211 PolarHBondContact O-N 2.61Å; D209-A212 PolarHBondContact O-N 3.35Å; D209-R218 IonicContact OD1-CZ 3.82Å; D209-R218 IonicContact OD1-NE 3.14Å; D209-R218 PolarHBondContact OD1-NE 3.46Å; D209-R218 IonicContact OD1-NH2 2.82Å; D209-R218 PolarHBondContact OD1-NH2 2.82Å; D209-R218 IonicContact OD2-CZ 2.68Å; D209-R218 IonicContact OD2-NH2 2.82Å; D209-R218 PolarHBondContact OD2-NH2 2.96Å
210	E	91.4	Very high	91.9	Very high	92 Å²	92	68.3 Å²	68.3	43%	0.43	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.7	169.7	-72.6	156.8	-104.3	0	0	113.4	I205 M206 T207 A212	I205-E210 WeakPolarHBondContact CA-OE2 3.49Å; I205-E210 HydrophobicContact CB-CB 3.87Å; I205-E210 HydrophobicContact CG2-CB 3.77Å; M206-E210 PolarHBondContact N-OE1 3.03Å; M206-E210 PolarHBondContact N-OE2 2.79Å; T207-E210 WeakPolarHBondContact CB-OE1 3.4Å; T207-E210 WeakPolarHBondContact CG2-OE1 3.28Å; T207-E210 PolarHBondContact N-OE1 2.85Å; T207-E210 PolarHBondContact OG1-N 3.39Å; T207-E210 PolarHBondContact OG1-OE1 3.31Å; E210-A212 PolarHBondContact O-N 3.24Å
211	A	88.1	Confident	91.8	Very high	13 Å²	13	61.6 Å²	61.6	11%	0.107	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-2	177.6	0	0	0	0	0	114.1	I205 F208 D209 L213 I237	I205-A211 HydrophobicContact CD1-CB 3.75Å; F208-A211 WeakPolarHBondContact O-CB 3.26Å; F208-A211 PolarHBondContact O-N 2.64Å; D209-A211 PolarHBondContact O-N 2.61Å; A211-L213 HydrophobicContact CB-CD1 4.04Å; A211-L213 HydrophobicContact CB-CD2 4.47Å; A211-L213 HydrophobicContact CB-CG 3.79Å; A211-L213 PolarHBondContact O-N 2.64Å; A211-L213 VanDerWaalsContact O-N 3.1Å; A211-I237 HydrophobicContact CB-CG2 3.96Å
212	A	86.1	Confident	91.7	Very high	84 Å²	84	62.8 Å²	62.8	69%	0.694	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	28.3	179.2	0	0	0	0	0	114.7	D209 E210	D209-A212 PolarHBondContact O-N 3.35Å; E210-A212 PolarHBondContact O-N 3.24Å
213	L	89.6	Confident	91.5	Very high	9 Å²	9	63.7 Å²	63.7	5%	0.047	33%	0.329	C	S	.	.			trans	-70.3	143.2	-178.6	-60.4	174	0	0	0	111.6	A211 L217 R218 I221 L262 Q266	A211-L213 HydrophobicContact CB-CD1 4.04Å; A211-L213 HydrophobicContact CB-CD2 4.47Å; A211-L213 HydrophobicContact CB-CG 3.79Å; A211-L213 PolarHBondContact O-N 2.64Å; A211-L213 VanDerWaalsContact O-N 3.1Å; L213-L217 HydrophobicContact CB-CB 4.3Å; L213-L217 HydrophobicContact CD2-CD1 4.4Å; L213-R218 HydrophobicContact CB-CG 3.99Å; L213-R218 WeakPolarHBondContact O-CD 3.27Å; L213-I221 HydrophobicContact CD1-CD1 3.48Å; L213-I221 VanDerWaalsContact CD1-CD1 3.48Å; L213-L262 HydrophobicContact CD1-CB 4.39Å; L213-Q266 HydrophobicContact CD2-CB 3.75Å; L213-Q266 HydrophobicContact CD2-CG 3.99Å
214	C	90.3	Very high	91.2	Very high	36 Å²	36	53.3 Å²	53.3	24%	0.243	29%	0.29	C	S	.	.			trans	-63.3	158.5	177.6	64.9	0	0	0	0	112.6	S216 L217 R218 Q266 M269	C214-S216 VanDerWaalsContact C-N 3.31Å; C214-S216 PolarHBondContact O-N 3.43Å; C214-L217 PolarHBondContact O-N 3.26Å; C214-R218 PolarHBondContact O-N 3.06Å; C214-Q266 PolarHBondContact SG-OE1 3.34Å; C214-M269 WeakPolarHBondContact SG-CE 3.36Å
215	E	91.1	Very high	90.9	Very high	153 Å²	153	53.8 Å²	53.8	72%	0.715	30%	0.297	S	S	*	.	H	α-helix	trans	-54.1	-43.6	-173.7	-167.2	-169.4	147.5	0	0	113	L217 R218 K219	E215-L217 VanDerWaalsContact C-N 3.35Å; E215-L217 PolarHBondContact O-N 3.23Å; E215-R218 PolarHBondContact O-N 3.19Å; E215-K219 VanDerWaalsContact O-CB 3.24Å; E215-K219 WeakPolarHBondContact O-CB 3.49Å; E215-K219 PolarHBondContact O-N 3.03Å
216	S	91.8	Very high	90.5	Very high	49 Å²	49	56.5 Å²	56.5	34%	0.343	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-41.7	178.4	-52	0	0	0	0	112.5	C214 N220	C214-S216 VanDerWaalsContact C-N 3.31Å; C214-S216 PolarHBondContact O-N 3.43Å; S216-N220 WeakPolarHBondContact O-CB 3.3Å; S216-N220 PolarHBondContact O-N 2.7Å; S216-N220 PolarHBondContact O-ND2 2.96Å
217	L	91.9	Very high	90.3	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-70.3	-44.8	177	-72	176.5	0	0	0	111.4	L213 C214 E215 K219 N220 I221 L265 Q266 M269 F306	L213-L217 HydrophobicContact CB-CB 4.3Å; L213-L217 HydrophobicContact CD2-CD1 4.4Å; C214-L217 PolarHBondContact O-N 3.26Å; E215-L217 VanDerWaalsContact C-N 3.35Å; E215-L217 PolarHBondContact O-N 3.23Å; L217-K219 VanDerWaalsContact C-N 3.31Å; L217-K219 PolarHBondContact O-N 2.75Å; L217-N220 PolarHBondContact O-N 3.46Å; L217-N220 VanDerWaalsContact O-N 3.17Å; L217-I221 VanDerWaalsContact O-CG1 3.25Å; L217-I221 WeakPolarHBondContact O-CG1 3.25Å; L217-I221 PolarHBondContact O-N 2.91Å; L217-L265 HydrophobicContact CD1-CB 4.21Å; L217-L265 HydrophobicContact CD2-CB 4.02Å; L217-L265 HydrophobicContact CD2-CD1 4.27Å; L217-Q266 HydrophobicContact CD1-CB 3.8Å; L217-M269 HydrophobicContact CD1-SD 4.31Å; L217-M269 HydrophobicContact CG-SD 4.17Å; L217-F306 HydrophobicContact CD2-CB 4.47Å; L217-F306 WeakPolarHBondContact CD2-O 3.21Å
218	R	91.7	Very high	90.1	Very high	103 Å²	103	57.4 Å²	57.4	39%	0.389	31%	0.313	S	S	.	.	H	α-helix	trans	-57.7	-44.1	175	-71.6	177.8	68.3	-147.4	-1.2	111.3	D209 L213 C214 E215 N220 I221 S222	D209-R218 IonicContact OD1-CZ 3.82Å; D209-R218 IonicContact OD1-NE 3.14Å; D209-R218 PolarHBondContact OD1-NE 3.46Å; D209-R218 IonicContact OD1-NH2 2.82Å; D209-R218 PolarHBondContact OD1-NH2 2.82Å; D209-R218 IonicContact OD2-CZ 2.68Å; D209-R218 IonicContact OD2-NH2 2.82Å; D209-R218 PolarHBondContact OD2-NH2 2.96Å; L213-R218 HydrophobicContact CB-CG 3.99Å; L213-R218 WeakPolarHBondContact O-CD 3.27Å; C214-R218 PolarHBondContact O-N 3.06Å; E215-R218 PolarHBondContact O-N 3.19Å; R218-N220 PolarHBondContact O-N 3Å; R218-I221 WeakPolarHBondContact O-CB 3.23Å; R218-I221 PolarHBondContact O-N 2.91Å; R218-S222 PolarHBondContact O-N 3.33Å; R218-S222 PolarHBondContact O-OG 2.96Å; R218-S222 VanDerWaalsContact O-OG 3.07Å
219	K	92.5	Very high	90.1	Very high	113 Å²	113	56.9 Å²	56.9	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-41.8	175.6	-171	169.6	-172.2	168.5	0	112.6	E215 L217 S222 K223	E215-K219 VanDerWaalsContact O-CB 3.24Å; E215-K219 WeakPolarHBondContact O-CB 3.49Å; E215-K219 PolarHBondContact O-N 3.03Å; L217-K219 VanDerWaalsContact C-N 3.31Å; L217-K219 PolarHBondContact O-N 2.75Å; K219-S222 PolarHBondContact O-N 2.64Å; K219-K223 WeakPolarHBondContact O-CG 3.27Å; K219-K223 PolarHBondContact O-N 3.2Å
220	N	93.5	Very high	90.2	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.027	29%	0.289	C	S	.	.	H	α-helix	trans	-71.4	-34.9	177.6	-68.7	-14.1	0	0	0	112.4	F177 S216 L217 R218 S224 F306 H308	F177-N220 HydrophobicContact CE1-CB 3.9Å; F177-N220 WeakPolarHBondContact CE1-O 3.42Å; F177-N220 HydrophobicContact CZ-CB 4.12Å; F177-N220 WeakPolarHBondContact CZ-OD1 3.44Å; S216-N220 WeakPolarHBondContact O-CB 3.3Å; S216-N220 PolarHBondContact O-N 2.7Å; S216-N220 PolarHBondContact O-ND2 2.96Å; L217-N220 PolarHBondContact O-N 3.46Å; L217-N220 VanDerWaalsContact O-N 3.17Å; R218-N220 PolarHBondContact O-N 3Å; N220-S224 WeakPolarHBondContact O-CB 3.43Å; N220-S224 PolarHBondContact O-N 3.25Å; N220-S224 PolarHBondContact O-OG 3.36Å; N220-F306 PolarHBondContact ND2-O 3.45Å; N220-H308 PolarHBondContact ND2-O 3.48Å
221	I	92.1	Very high	90.3	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-50.5	170.7	-70	165.4	0	0	0	110	F208 L213 L217 R218 K223 S224 G225 Y226 L262 F306	F208-I221 HydrophobicContact CD1-CD1 4.29Å; F208-I221 HydrophobicContact CD1-CG2 4.47Å; F208-I221 HydrophobicContact CD2-CG2 3.87Å; F208-I221 HydrophobicContact CE2-CG2 4.11Å; F208-I221 HydrophobicContact CG-CG2 4.06Å; L213-I221 HydrophobicContact CD1-CD1 3.48Å; L213-I221 VanDerWaalsContact CD1-CD1 3.48Å; L217-I221 VanDerWaalsContact O-CG1 3.25Å; L217-I221 WeakPolarHBondContact O-CG1 3.25Å; L217-I221 PolarHBondContact O-N 2.91Å; R218-I221 WeakPolarHBondContact O-CB 3.23Å; R218-I221 PolarHBondContact O-N 2.91Å; I221-K223 PolarHBondContact O-N 2.96Å; I221-S224 WeakPolarHBondContact O-CB 3.36Å; I221-S224 PolarHBondContact O-N 3.18Å; I221-S224 VanDerWaalsContact O-N 3.1Å; I221-G225 PolarHBondContact O-N 2.85Å; I221-Y226 PolarHBondContact O-N 3.37Å; I221-L262 HydrophobicContact CD1-CD1 3.75Å; I221-L262 HydrophobicContact CD1-CD2 3.83Å; I221-L262 HydrophobicContact CD1-CG 4.38Å; I221-L262 HydrophobicContact CG1-CD1 4.09Å; I221-L262 HydrophobicContact CG1-CD2 3.79Å; I221-F306 HydrophobicContact CG1-CD1 4.49Å; I221-F306 HydrophobicContact CG1-CE1 4.43Å
222	S	90.6	Very high	90.6	Very high	87 Å²	87	48.2 Å²	48.2	61%	0.608	27%	0.267	S	S	*	.	H	α-helix	trans	-60.1	-44.5	178.1	-54.9	0	0	0	0	112.6	R218 K219 S224 G225	R218-S222 PolarHBondContact O-N 3.33Å; R218-S222 PolarHBondContact O-OG 2.96Å; R218-S222 VanDerWaalsContact O-OG 3.07Å; K219-S222 PolarHBondContact O-N 2.64Å; S222-S224 VanDerWaalsContact C-N 3.26Å; S222-S224 PolarHBondContact O-N 2.76Å; S222-G225 PolarHBondContact O-N 3.48Å; S222-G225 VanDerWaalsContact O-N 3.09Å
223	K	90.4	Very high	91	Very high	59 Å²	59	44.4 Å²	44.4	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-62.6	-31.3	174.9	-73.4	179.3	179.6	-172.6	0	113.2	E173 F177 K219 I221 G225	E173-K223 WeakPolarHBondContact OE1-CE 3.23Å; E173-K223 IonicContact OE1-NZ 2.81Å; E173-K223 PolarHBondContact OE1-NZ 3.5Å; E173-K223 IonicContact OE2-NZ 2.78Å; E173-K223 PolarHBondContact OE2-NZ 3.49Å; F177-K223 HydrophobicContact CB-CB 4.19Å; F177-K223 HydrophobicContact CD1-CB 3.39Å; F177-K223 HydrophobicContact CD2-CB 4.18Å; F177-K223 HydrophobicContact CD2-CD 4.06Å; F177-K223 HydrophobicContact CE1-CB 3.73Å; F177-K223 HydrophobicContact CE1-CD 4.34Å; F177-K223 HydrophobicContact CE2-CB 4.45Å; F177-K223 HydrophobicContact CE2-CD 3.86Å; F177-K223 HydrophobicContact CG-CB 3.64Å; F177-K223 HydrophobicContact CG-CD 4.37Å; F177-K223 HydrophobicContact CZ-CB 4.24Å; F177-K223 HydrophobicContact CZ-CD 4Å; K219-K223 WeakPolarHBondContact O-CG 3.27Å; K219-K223 PolarHBondContact O-N 3.2Å; I221-K223 PolarHBondContact O-N 2.96Å; K223-G225 PolarHBondContact O-N 2.95Å
224	S	87.5	Confident	91.3	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.007	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-0.9	175.7	-54.7	0	0	0	0	113.7	H179 N220 I221 S222 Y226 K305	H179-S224 VanDerWaalsContact CB-O 3.27Å; H179-S224 WeakPolarHBondContact CB-O 3.15Å; N220-S224 WeakPolarHBondContact O-CB 3.43Å; N220-S224 PolarHBondContact O-N 3.25Å; N220-S224 PolarHBondContact O-OG 3.36Å; I221-S224 WeakPolarHBondContact O-CB 3.36Å; I221-S224 PolarHBondContact O-N 3.18Å; I221-S224 VanDerWaalsContact O-N 3.1Å; S222-S224 VanDerWaalsContact C-N 3.26Å; S222-S224 PolarHBondContact O-N 2.76Å; S224-Y226 VanDerWaalsContact C-N 3.35Å; S224-Y226 VanDerWaalsContact O-CD1 3.25Å; S224-Y226 WeakPolarHBondContact O-CD1 3.2Å; S224-K305 VanDerWaalsContact OG-CD 3.23Å; S224-K305 WeakPolarHBondContact OG-CD 3.33Å
225	G	87.2	Confident	91.6	Very high	28 Å²	28	45.6 Å²	45.6	29%	0.289	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	12.6	-178.3	0	0	0	0	0	114.8	I221 S222 K223 V227	I221-G225 PolarHBondContact O-N 2.85Å; S222-G225 PolarHBondContact O-N 3.48Å; S222-G225 VanDerWaalsContact O-N 3.09Å; K223-G225 PolarHBondContact O-N 2.95Å; G225-V227 PolarHBondContact O-N 3.14Å
226	Y	87.9	Confident	91.9	Very high	68 Å²	68	38.3 Å²	38.3	27%	0.267	20%	0.202	S	C	.	.			trans	-84.1	99.8	-172.9	-78.9	35.2	0	0	0	110.7	F208 I221 S224 A258 F306	F208-Y226 HydrophobicContact CE2-CD2 4.46Å; F208-Y226 HydrophobicContact CZ-CD2 4.02Å; I221-Y226 PolarHBondContact O-N 3.37Å; S224-Y226 VanDerWaalsContact C-N 3.35Å; S224-Y226 VanDerWaalsContact O-CD1 3.25Å; S224-Y226 WeakPolarHBondContact O-CD1 3.2Å; Y226-A258 HydrophobicContact CE2-CB 3.72Å; Y226-F306 HydrophobicContact CE2-CE1 4.35Å; Y226-F306 AromaticContact CE2-CZ 3.81Å; Y226-F306 HydrophobicContact CE2-CZ 3.81Å; Y226-F306 AromaticContact CZ-CZ 3.88Å
227	V	86.6	Confident	92.1	Very high	139 Å²	139	36 Å²	36	84%	0.842	19%	0.186	S	C	*	.			trans	-83.8	-44.7	-176.1	-177.4	0	0	0	0	113.1	G225	G225-V227 PolarHBondContact O-N 3.14Å
228	K	89.6	Confident	92.4	Very high	53 Å²	53	36.9 Å²	36.9	23%	0.23	19%	0.192	C	C	.	.	S	Bend	trans	-137.4	149.6	178.1	66.6	172.6	175.1	-176.8	0	112.1	F186 D187 D190	F186-K228 HydrophobicContact CE1-CD 4.44Å; F186-K228 HydrophobicContact CE1-CG 3.84Å; D187-K228 VanDerWaalsContact OD1-CE 3.26Å; D187-K228 WeakPolarHBondContact OD1-CE 3.33Å; D187-K228 IonicContact OD1-NZ 2.73Å; D187-K228 PolarHBondContact OD1-NZ 3.19Å; D190-K228 IonicContact OD2-NZ 3.16Å; D190-K228 PolarHBondContact OD2-NZ 2.9Å
229	P	92.9	Very high	92.6	Very high	1 Å²	1	32 Å²	32	1%	0.006	17%	0.173	C	C	.	.			trans	-69.6	138.1	176.3	27.5	-34.6	0	0	0	112.1	M206 F208 Q233 K234	M206-P229 WeakPolarHBondContact O-CD 3.47Å; M206-P229 VanDerWaalsContact O-CG 3.28Å; M206-P229 WeakPolarHBondContact O-CG 3.16Å; F208-P229 HydrophobicContact CD1-CB 4.36Å; F208-P229 HydrophobicContact CE1-CB 3.93Å; F208-P229 HydrophobicContact CE2-CB 4.35Å; F208-P229 HydrophobicContact CZ-CB 3.92Å; P229-Q233 HydrophobicContact CB-CB 3.9Å; P229-K234 HydrophobicContact CB-CG 3.94Å; P229-K234 HydrophobicContact CG-CG 3.8Å; P229-K234 VanDerWaalsContact O-CE 3.23Å; P229-K234 WeakPolarHBondContact O-CE 3.32Å
230	T	91.9	Very high	92.9	Very high	10 Å²	10	26.8 Å²	26.8	6%	0.061	15%	0.15	C	C	.	.			trans	-72	162.9	169.7	68.7	0	0	0	0	110.9	F186 V232 Q233 K234 S254	F186-T230 HydrophobicContact CE2-CG2 4.04Å; F186-T230 HydrophobicContact CZ-CG2 3.96Å; T230-V232 VanDerWaalsContact C-N 3.32Å; T230-V232 PolarHBondContact O-N 2.76Å; T230-Q233 CarbonylContact O-C 3.36Å; T230-Q233 WeakPolarHBondContact O-CA 3.47Å; T230-Q233 VanDerWaalsContact O-CB 3.32Å; T230-Q233 WeakPolarHBondContact O-CB 3.49Å; T230-Q233 PolarHBondContact O-N 3.31Å; T230-Q233 VanDerWaalsContact OG1-CD 3.24Å; T230-Q233 WeakPolarHBondContact OG1-CG 3.08Å; T230-K234 WeakPolarHBondContact O-CG 3.21Å; T230-K234 PolarHBondContact O-N 3.21Å; T230-S254 VanDerWaalsContact CB-O 3.32Å; T230-S254 WeakPolarHBondContact CB-O 3.41Å; T230-S254 PolarHBondContact OG1-O 3.37Å
231	P	92.8	Very high	93	Very high	10 Å²	10	29.4 Å²	29.4	7%	0.065	17%	0.17	C	C	.	.	H	α-helix	trans	-54.4	-41.8	-177.1	-27.9	34.3	0	0	0	114.4	Y189 V194 Q233 K234 H235 V423	Y189-P231 WeakPolarHBondContact O-CG 3.47Å; V194-P231 HydrophobicContact CG2-CB 4.09Å; P231-Q233 PolarHBondContact O-N 2.81Å; P231-K234 PolarHBondContact O-N 3.09Å; P231-H235 PolarHBondContact O-CD2 3.37Å; P231-H235 VanDerWaalsContact O-CD2 3.25Å; P231-H235 PolarHBondContact O-N 2.93Å; P231-V423 HydrophobicContact CB-CG1 3.87Å; P231-V423 HydrophobicContact CB-CG2 4.47Å
232	V	93.8	Very high	93.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-66.5	-24.6	176.7	73.6	0	0	0	0	112.5	T230 G236 A248 A250 S254 K256 A259 F398 L421 V423	T230-V232 VanDerWaalsContact C-N 3.32Å; T230-V232 PolarHBondContact O-N 2.76Å; V232-G236 VanDerWaalsContact O-CA 3.23Å; V232-G236 WeakPolarHBondContact O-CA 3.37Å; V232-G236 PolarHBondContact O-N 2.83Å; V232-A248 HydrophobicContact CG2-CB 4.43Å; V232-A250 HydrophobicContact CB-CB 4.1Å; V232-A250 HydrophobicContact CG2-CB 3.99Å; V232-S254 VanDerWaalsContact CG1-O 3.25Å; V232-S254 WeakPolarHBondContact CG1-O 3.46Å; V232-K256 HydrophobicContact CG1-CG 4.21Å; V232-K256 HydrophobicContact CG2-CG 4.34Å; V232-A259 HydrophobicContact CG1-CB 4.46Å; V232-F398 HydrophobicContact CG2-CE1 4.48Å; V232-L421 HydrophobicContact CG2-CD2 4.15Å; V232-V423 HydrophobicContact CB-CG2 4.12Å; V232-V423 HydrophobicContact CG2-CG2 4.49Å
233	Q	95.8	Very high	93.4	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-80.6	-44.2	172.2	-63.8	164.2	-0.4	0	0	111.3	P229 T230 P231 H235 G236 I237 G255 A259	P229-Q233 HydrophobicContact CB-CB 3.9Å; T230-Q233 CarbonylContact O-C 3.36Å; T230-Q233 WeakPolarHBondContact O-CA 3.47Å; T230-Q233 VanDerWaalsContact O-CB 3.32Å; T230-Q233 WeakPolarHBondContact O-CB 3.49Å; T230-Q233 PolarHBondContact O-N 3.31Å; T230-Q233 VanDerWaalsContact OG1-CD 3.24Å; T230-Q233 WeakPolarHBondContact OG1-CG 3.08Å; P231-Q233 PolarHBondContact O-N 2.81Å; Q233-H235 PolarHBondContact O-N 2.99Å; Q233-G236 PolarHBondContact O-N 2.91Å; Q233-I237 HydrophobicContact CB-CD1 3.92Å; Q233-I237 HydrophobicContact CB-CG1 4.39Å; Q233-I237 VanDerWaalsContact O-CB 3.32Å; Q233-I237 WeakPolarHBondContact O-CB 3.47Å; Q233-I237 VanDerWaalsContact O-CG1 3.3Å; Q233-I237 WeakPolarHBondContact O-CG1 3.42Å; Q233-I237 PolarHBondContact O-N 3.14Å; Q233-G255 PolarHBondContact NE2-O 2.82Å; Q233-A259 HydrophobicContact CB-CB 4.38Å; Q233-A259 HydrophobicContact CG-CB 3.76Å
234	K	95.6	Very high	93.7	Very high	30 Å²	30	28.3 Å²	28.3	13%	0.13	17%	0.172	C	C	.	.	H	α-helix	trans	-52.6	-38.6	177.4	-70.2	-171.7	-174.2	178.3	0	113.1	D190 A204 I205 M206 P229 T230 P231 P238	D190-K234 IonicContact OD1-NZ 2.82Å; D190-K234 PolarHBondContact OD1-NZ 3.5Å; A204-K234 WeakPolarHBondContact CA-O 3.06Å; I205-K234 WeakPolarHBondContact CG1-O 3.34Å; I205-K234 PolarHBondContact N-O 2.76Å; I205-K234 VanDerWaalsContact O-CB 3.25Å; I205-K234 WeakPolarHBondContact O-CB 3.46Å; I205-K234 VanDerWaalsContact O-CG 3.22Å; I205-K234 WeakPolarHBondContact O-CG 3.4Å; M206-K234 HydrophobicContact SD-CD 4.37Å; P229-K234 HydrophobicContact CB-CG 3.94Å; P229-K234 HydrophobicContact CG-CG 3.8Å; P229-K234 VanDerWaalsContact O-CE 3.23Å; P229-K234 WeakPolarHBondContact O-CE 3.32Å; T230-K234 WeakPolarHBondContact O-CG 3.21Å; T230-K234 PolarHBondContact O-N 3.21Å; P231-K234 PolarHBondContact O-N 3.09Å; K234-P238 WeakPolarHBondContact O-CD 3.23Å; K234-P238 VanDerWaalsContact O-CG 3.29Å; K234-P238 WeakPolarHBondContact O-CG 3.48Å
235	H	96	Very high	94.2	Very high	39 Å²	39	28.3 Å²	28.3	18%	0.181	17%	0.172	C	C	.	.	H	α-helix	trans	-97.5	-42.6	177.3	-61.3	-77.8	0	0	0	112.7	I196 A204 P231 Q233 I237 P238 I239 L421	I196-H235 HydrophobicContact CD1-CB 4.07Å; I196-H235 WeakPolarHBondContact CD1-ND1 3.07Å; A204-H235 VanDerWaalsContact CB-CE1 3.42Å; A204-H235 WeakPolarHBondContact CB-CE1 3.46Å; A204-H235 WeakPolarHBondContact CB-ND1 3.47Å; P231-H235 PolarHBondContact O-CD2 3.37Å; P231-H235 VanDerWaalsContact O-CD2 3.25Å; P231-H235 PolarHBondContact O-N 2.93Å; Q233-H235 PolarHBondContact O-N 2.99Å; H235-I237 PolarHBondContact O-N 3.19Å; H235-P238 WeakPolarHBondContact O-CD 3.47Å; H235-P238 WeakPolarHBondContact O-CG 3.47Å; H235-I239 HydrophobicContact CB-CD1 4.49Å; H235-I239 WeakPolarHBondContact O-CB 3.46Å; H235-I239 WeakPolarHBondContact O-CD1 3.34Å; H235-I239 WeakPolarHBondContact O-CG1 3.29Å; H235-I239 PolarHBondContact O-N 2.72Å; H235-L421 HydrophobicContact CB-CD1 3.7Å; H235-L421 HydrophobicContact CB-CD2 3.92Å; H235-L421 HydrophobicContact CB-CG 4.5Å
236	G	96.9	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-41	-175.9	0	0	0	0	0	114	V232 Q233 I239 I240	V232-G236 VanDerWaalsContact O-CA 3.23Å; V232-G236 WeakPolarHBondContact O-CA 3.37Å; V232-G236 PolarHBondContact O-N 2.83Å; Q233-G236 PolarHBondContact O-N 2.91Å; G236-I239 PolarHBondContact O-N 2.78Å; G236-I240 WeakPolarHBondContact O-CB 3.41Å; G236-I240 WeakPolarHBondContact O-CD1 3.42Å; G236-I240 WeakPolarHBondContact O-CG1 3.39Å; G236-I240 PolarHBondContact O-N 3.47Å
237	I	97.3	Very high	95.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-61.3	-56	-178.6	-64	174.9	0	0	0	111.8	I205 F208 A211 Q233 H235 I239 I240 S241 L262 P263	I205-I237 HydrophobicContact CD1-CB 4.07Å; I205-I237 HydrophobicContact CD1-CD1 4.27Å; I205-I237 HydrophobicContact CD1-CG2 4.15Å; F208-I237 HydrophobicContact CD1-CD1 4.49Å; F208-I237 HydrophobicContact CE1-CD1 4.18Å; A211-I237 HydrophobicContact CB-CG2 3.96Å; Q233-I237 HydrophobicContact CB-CD1 3.92Å; Q233-I237 HydrophobicContact CB-CG1 4.39Å; Q233-I237 VanDerWaalsContact O-CB 3.32Å; Q233-I237 WeakPolarHBondContact O-CB 3.47Å; Q233-I237 VanDerWaalsContact O-CG1 3.3Å; Q233-I237 WeakPolarHBondContact O-CG1 3.42Å; Q233-I237 PolarHBondContact O-N 3.14Å; H235-I237 PolarHBondContact O-N 3.19Å; I237-I239 VanDerWaalsContact C-N 3.31Å; I237-I239 PolarHBondContact O-N 2.64Å; I237-I240 PolarHBondContact O-N 3.25Å; I237-S241 PolarHBondContact O-N 2.67Å; I237-S241 PolarHBondContact O-OG 2.59Å; I237-L262 HydrophobicContact CD1-CD1 4.16Å; I237-P263 HydrophobicContact CG2-CB 4.41Å
238	P	96.9	Very high	95.5	Very high	19 Å²	19	17.1 Å²	17.1	12%	0.123	11%	0.105	C	C	.	.	H	α-helix	trans	-66.5	-28.6	178.6	25.5	-34.5	0	0	0	113.5	P202 R203 I205 K234 H235 A242	P202-P238 HydrophobicContact CB-CB 4.23Å; R203-P238 WeakPolarHBondContact O-CG 3.32Å; I205-P238 HydrophobicContact CG2-CB 4.41Å; I205-P238 HydrophobicContact CG2-CG 4.25Å; K234-P238 WeakPolarHBondContact O-CD 3.23Å; K234-P238 VanDerWaalsContact O-CG 3.29Å; K234-P238 WeakPolarHBondContact O-CG 3.48Å; H235-P238 WeakPolarHBondContact O-CD 3.47Å; H235-P238 WeakPolarHBondContact O-CG 3.47Å; P238-A242 WeakPolarHBondContact O-CB 3.43Å; P238-A242 PolarHBondContact O-N 3.32Å; P238-A242 VanDerWaalsContact O-N 3.15Å
239	I	97.4	Very high	95.6	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-61.7	-47.4	171.2	-72.8	169.8	0	0	0	111	H235 G236 I237 A242 R244 L246 L419	H235-I239 HydrophobicContact CB-CD1 4.49Å; H235-I239 WeakPolarHBondContact O-CB 3.46Å; H235-I239 WeakPolarHBondContact O-CD1 3.34Å; H235-I239 WeakPolarHBondContact O-CG1 3.29Å; H235-I239 PolarHBondContact O-N 2.72Å; G236-I239 PolarHBondContact O-N 2.78Å; I237-I239 VanDerWaalsContact C-N 3.31Å; I237-I239 PolarHBondContact O-N 2.64Å; I239-A242 PolarHBondContact O-N 3Å; I239-R244 HydrophobicContact CG2-CB 4.26Å; I239-L246 HydrophobicContact CD1-CD1 4.22Å; I239-L246 HydrophobicContact CG2-CB 4.05Å; I239-L246 HydrophobicContact CG2-CD1 4.14Å; I239-L246 HydrophobicContact CG2-CD2 4.14Å; I239-L246 HydrophobicContact CG2-CG 4.33Å; I239-L419 HydrophobicContact CB-CD1 4.42Å; I239-L419 HydrophobicContact CD1-CB 4.36Å; I239-L419 HydrophobicContact CD1-CD1 4.04Å; I239-L419 HydrophobicContact CG1-CD1 3.76Å; I239-L419 HydrophobicContact CG2-CB 4.37Å; I239-L419 HydrophobicContact CG2-CD1 3.93Å
240	I	97.5	Very high	95.3	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-71.9	-42.8	-176.3	-64.3	163.2	0	0	0	110.7	G236 I237 A242 G243 L246 A259 F260 P263 Q394 L396 F398	G236-I240 WeakPolarHBondContact O-CB 3.41Å; G236-I240 WeakPolarHBondContact O-CD1 3.42Å; G236-I240 WeakPolarHBondContact O-CG1 3.39Å; G236-I240 PolarHBondContact O-N 3.47Å; I237-I240 PolarHBondContact O-N 3.25Å; I240-A242 PolarHBondContact O-N 2.85Å; I240-G243 PolarHBondContact O-N 3.15Å; I240-L246 HydrophobicContact CD1-CD2 4Å; I240-L246 HydrophobicContact CG1-CD2 3.97Å; I240-A259 WeakPolarHBondContact CD1-O 3.32Å; I240-F260 HydrophobicContact CD1-CB 4.08Å; I240-P263 HydrophobicContact CB-CB 4.01Å; I240-P263 HydrophobicContact CB-CG 3.72Å; I240-P263 HydrophobicContact CD1-CG 4.05Å; I240-P263 HydrophobicContact CG2-CB 3.81Å; I240-P263 HydrophobicContact CG2-CG 3.63Å; I240-Q394 PolarHBondContact O-NE2 3.08Å; I240-Q394 PolarHBondContact O-OE1 2.99Å; I240-L396 HydrophobicContact CD1-CD1 3.76Å; I240-L396 HydrophobicContact CD1-CD2 4.36Å; I240-L396 HydrophobicContact CG1-CD1 3.94Å; I240-L396 HydrophobicContact CG1-CD2 3.82Å; I240-L396 HydrophobicContact CG2-CD1 4Å; I240-F398 HydrophobicContact CD1-CZ 4.29Å
241	S	95.8	Very high	94.6	Very high	61 Å²	61	16.2 Å²	16.2	43%	0.427	10%	0.102	S	C	.	.	H	α-helix	trans	-60.4	-24.6	174.1	-61.5	0	0	0	0	113.3	I237 G243 P263	I237-S241 PolarHBondContact O-N 2.67Å; I237-S241 PolarHBondContact O-OG 2.59Å; S241-G243 VanDerWaalsContact C-N 3.26Å; S241-G243 PolarHBondContact O-N 3.43Å; S241-P263 WeakPolarHBondContact OG-CB 3.22Å
242	A	95.1	Very high	93.6	Very high	52 Å²	52	16.6 Å²	16.6	43%	0.43	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	7.4	173.4	0	0	0	0	0	114.3	P202 P238 I239 I240 R244	P202-A242 HydrophobicContact CG-CB 3.64Å; P238-A242 WeakPolarHBondContact O-CB 3.43Å; P238-A242 PolarHBondContact O-N 3.32Å; P238-A242 VanDerWaalsContact O-N 3.15Å; I239-A242 PolarHBondContact O-N 3Å; I240-A242 PolarHBondContact O-N 2.85Å; A242-R244 VanDerWaalsContact C-N 3.26Å; A242-R244 HydrophobicContact CB-CG 4.32Å; A242-R244 PolarHBondContact O-N 3.14Å
243	G	95.7	Very high	92.6	Very high	35 Å²	35	17.6 Å²	17.6	36%	0.361	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	11.5	176.3	0	0	0	0	0	115.5	I240 S241 Q394	I240-G243 PolarHBondContact O-N 3.15Å; S241-G243 VanDerWaalsContact C-N 3.26Å; S241-G243 PolarHBondContact O-N 3.43Å; G243-Q394 VanDerWaalsContact C-NE2 3.3Å
244	R	97.1	Very high	91.7	Very high	40 Å²	40	17.8 Å²	17.8	15%	0.151	12%	0.116	C	C	.	.			trans	-85.9	141.4	-177.8	-57.1	-64.5	-66.8	-69.9	3	111.5	T199 N200 I239 A242 Q394 D417 L419	T199-R244 PolarHBondContact O-NH1 2.86Å; T199-R244 PolarHBondContact O-NH2 3.2Å; T199-R244 PolarHBondContact OG1-NH2 3Å; N200-R244 PolarHBondContact O-NH1 3.02Å; I239-R244 HydrophobicContact CG2-CB 4.26Å; A242-R244 VanDerWaalsContact C-N 3.26Å; A242-R244 HydrophobicContact CB-CG 4.32Å; A242-R244 PolarHBondContact O-N 3.14Å; R244-Q394 PolarHBondContact O-NE2 2.84Å; R244-D417 IonicContact CZ-OD2 2.78Å; R244-D417 IonicContact NE-OD2 3.09Å; R244-D417 PolarHBondContact NE-OD2 3.26Å; R244-D417 PolarHBondContact NH2-O 3.24Å; R244-D417 IonicContact NH2-OD2 2.64Å; R244-D417 PolarHBondContact NH2-OD2 2.82Å; R244-L419 HydrophobicContact CB-CD1 4.38Å; R244-L419 HydrophobicContact CG-CD1 4.46Å
245	D	98.2	Very high	91.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	12%	0.121	C	C	.	.			trans	-65.7	144.9	168.4	-83.3	23.7	0	0	0	110	Q394 T395 L414 K415 Y418 L419	D245-Q394 WeakPolarHBondContact OD1-CA 3.34Å; D245-T395 WeakPolarHBondContact CA-O 3.25Å; D245-T395 WeakPolarHBondContact CB-O 3.32Å; D245-T395 PolarHBondContact OD1-N 2.99Å; D245-T395 WeakPolarHBondContact OD2-CB 3.32Å; D245-L414 HydrophobicContact CB-CB 4.32Å; D245-L414 HydrophobicContact CB-CD2 4.43Å; D245-L414 VanDerWaalsContact OD2-CA 3.29Å; D245-L414 WeakPolarHBondContact OD2-CA 3.36Å; D245-K415 HydrophobicContact CB-CB 4.41Å; D245-K415 PolarHBondContact OD2-N 3.5Å; D245-Y418 WeakPolarHBondContact O-CA 3.39Å; D245-L419 PolarHBondContact O-N 3.45Å
246	L	97.9	Very high	91.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	129.8	-172.2	174.6	58.9	0	0	0	111.2	I239 I240 A248 T395 L396 M397 F398 L419 L421	I239-L246 HydrophobicContact CD1-CD1 4.22Å; I239-L246 HydrophobicContact CG2-CB 4.05Å; I239-L246 HydrophobicContact CG2-CD1 4.14Å; I239-L246 HydrophobicContact CG2-CD2 4.14Å; I239-L246 HydrophobicContact CG2-CG 4.33Å; I240-L246 HydrophobicContact CD1-CD2 4Å; I240-L246 HydrophobicContact CG1-CD2 3.97Å; L246-A248 HydrophobicContact CD1-CB 4.25Å; L246-A248 HydrophobicContact CD2-CB 4.29Å; L246-A248 HydrophobicContact CG-CB 4.09Å; L246-T395 PolarHBondContact N-O 3.14Å; L246-L396 HydrophobicContact CB-CD2 3.82Å; L246-L396 WeakPolarHBondContact O-CA 3.42Å; L246-M397 PolarHBondContact O-N 3Å; L246-F398 HydrophobicContact CD2-CZ 4.13Å; L246-L419 WeakPolarHBondContact CA-O 3.34Å; L246-L419 WeakPolarHBondContact CD1-O 3.43Å; L246-L421 HydrophobicContact CD1-CB 3.73Å; L246-L421 HydrophobicContact CD1-CD2 4.31Å
247	M	96.6	Very high	90.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	111.1	162.5	179.9	65.5	-143.4	0	0	108.4	M397 S399 Y402 I406 A410 L414 Y418 L419 F420 L421	M247-M397 CarbonylContact C-O 3.53Å; M247-M397 WeakPolarHBondContact CA-O 3.37Å; M247-M397 HydrophobicContact CE-CB 4.47Å; M247-M397 HydrophobicContact SD-CB 3.43Å; M247-M397 WeakPolarHBondContact SD-CB 3.38Å; M247-M397 HydrophobicContact SD-CE 4.06Å; M247-S399 VanDerWaalsContact CE-CB 3.47Å; M247-Y402 HydrophobicContact CE-CD2 3.67Å; M247-Y402 HydrophobicContact CE-CE2 3.67Å; M247-Y402 HydrophobicContact CG-CD2 4.34Å; M247-Y402 HydrophobicContact CG-CE2 3.53Å; M247-Y402 HydrophobicContact SD-CD2 4.4Å; M247-Y402 HydrophobicContact SD-CE2 3.78Å; M247-I406 HydrophobicContact CE-CG2 3.99Å; M247-I406 HydrophobicContact SD-CG2 4.47Å; M247-A410 HydrophobicContact SD-CB 4.43Å; M247-L414 HydrophobicContact CB-CD1 3.88Å; M247-Y418 HydrophobicContact CB-CD2 3.77Å; M247-Y418 HydrophobicContact CB-CE2 3.6Å; M247-Y418 HydrophobicContact CG-CE2 4.43Å; M247-L419 PolarHBondContact N-O 2.94Å; M247-F420 HydrophobicContact CB-CD2 3.99Å; M247-F420 HydrophobicContact CG-CD2 3.66Å; M247-F420 HydrophobicContact CG-CE2 4.03Å; M247-F420 CarbonylContact O-C 3.47Å; M247-F420 WeakPolarHBondContact O-CA 3.31Å; M247-L421 PolarHBondContact O-N 3.13Å
248	A	95.3	Very high	90.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	114.5	-175.6	0	0	0	0	0	111.8	V232 L246 M397 F398 S399 L421	V232-A248 HydrophobicContact CG2-CB 4.43Å; L246-A248 HydrophobicContact CD1-CB 4.25Å; L246-A248 HydrophobicContact CD2-CB 4.29Å; L246-A248 HydrophobicContact CG-CB 4.09Å; A248-M397 PolarHBondContact N-O 3.42Å; A248-F398 HydrophobicContact CB-CD1 3.56Å; A248-F398 HydrophobicContact CB-CE1 3.54Å; A248-F398 HydrophobicContact CB-CG 4.34Å; A248-F398 HydrophobicContact CB-CZ 4.3Å; A248-F398 WeakPolarHBondContact O-CA 3.33Å; A248-S399 PolarHBondContact O-N 3.45Å; A248-L421 WeakPolarHBondContact CA-O 3.18Å; A248-L421 HydrophobicContact CB-CB 4.48Å; A248-L421 HydrophobicContact CB-CD2 4.38Å
249	C	92	Very high	90.8	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.007	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	108.2	172.9	-71.3	0	0	0	0	109.4	L421 V423 V426	C249-L421 PolarHBondContact N-O 3.16Å; C249-V423 PolarHBondContact O-N 2.64Å; C249-V426 HydrophobicContact CB-CG1 4.1Å; C249-V426 HydrophobicContact CB-CG2 3.97Å
250	A	86.3	Confident	90.8	Very high	2 Å²	2	16.6 Å²	16.6	2%	0.017	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	149	175.5	0	0	0	0	0	111.1	V232 K256 S399 V423	V232-A250 HydrophobicContact CB-CB 4.1Å; V232-A250 HydrophobicContact CG2-CB 3.99Å; A250-K256 HydrophobicContact CB-CD 4.1Å; A250-K256 HydrophobicContact CB-CG 4.29Å; A250-K256 PolarHBondContact O-NZ 3.44Å; A250-S399 PolarHBondContact N-O 3Å; A250-V423 HydrophobicContact CB-CB 3.83Å; A250-V423 HydrophobicContact CB-CG1 4.42Å; A250-V423 HydrophobicContact CB-CG2 4.29Å
251	Q	75.9	Confident	90.8	Very high	42 Å²	42	16.6 Å²	16.6	20%	0.196	12%	0.118	C	C	.	.			trans	-58.1	158.1	-176.5	68.1	179.2	13.5	0	0	113.7	S254	Q251-S254 VanDerWaalsContact O-CB 3.27Å; Q251-S254 WeakPolarHBondContact O-CB 3.29Å; Q251-S254 PolarHBondContact O-N 3.44Å; Q251-S254 PolarHBondContact O-OG 3.39Å
252	T	72.5	Confident	90.8	Very high	18 Å²	18	13.7 Å²	13.7	11%	0.11	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	141.5	173.5	47.1	0	0	0	0	111	S254 G547	T252-S254 VanDerWaalsContact C-N 3.29Å; T252-S254 PolarHBondContact O-N 2.94Å; T252-G547 PolarHBondContact OG1-O 3.03Å
253	G	72.7	Confident	90.9	Very high	22 Å²	22	11.4 Å²	11.4	23%	0.227	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	-2.3	-176.3	0	0	0	0	0	115.5	G255	G253-G255 PolarHBondContact O-N 3.15Å
254	S	78.1	Confident	91	Very high	9 Å²	9	9.8 Å²	9.8	6%	0.063	6%	0.061	C	C	.	.	S	Bend	trans	-73.8	2.9	178.4	60.4	0	0	0	0	115.6	T230 V232 Q251 T252	T230-S254 VanDerWaalsContact CB-O 3.32Å; T230-S254 WeakPolarHBondContact CB-O 3.41Å; T230-S254 PolarHBondContact OG1-O 3.37Å; V232-S254 VanDerWaalsContact CG1-O 3.25Å; V232-S254 WeakPolarHBondContact CG1-O 3.46Å; Q251-S254 VanDerWaalsContact O-CB 3.27Å; Q251-S254 WeakPolarHBondContact O-CB 3.29Å; Q251-S254 PolarHBondContact O-N 3.44Å; Q251-S254 PolarHBondContact O-OG 3.39Å; T252-S254 VanDerWaalsContact C-N 3.29Å; T252-S254 PolarHBondContact O-N 2.94Å
255	G	86.5	Confident	90.9	Very high	23 Å²	23	7.9 Å²	7.9	24%	0.237	5%	0.054	C	C	.	.			trans	83.9	18.5	178.1	0	0	0	0	0	116.2	Q233 G253 T257 A258 A259	Q233-G255 PolarHBondContact NE2-O 2.82Å; G253-G255 PolarHBondContact O-N 3.15Å; G255-T257 VanDerWaalsContact C-N 3.26Å; G255-T257 PolarHBondContact O-N 3.27Å; G255-A258 PolarHBondContact O-N 3.32Å; G255-A259 PolarHBondContact O-N 2.91Å
256	K	91.3	Very high	90.7	Very high	16 Å²	16	9.3 Å²	9.3	7%	0.07	6%	0.06	C	C	.	.	H	α-helix	trans	-46.6	-43	178.9	-63.9	-168.8	-67	-158.4	0	114	V232 A250 A258 A259 F260 F398 S399	V232-K256 HydrophobicContact CG1-CG 4.21Å; V232-K256 HydrophobicContact CG2-CG 4.34Å; A250-K256 HydrophobicContact CB-CD 4.1Å; A250-K256 HydrophobicContact CB-CG 4.29Å; A250-K256 PolarHBondContact O-NZ 3.44Å; K256-A258 PolarHBondContact O-N 3.49Å; K256-A259 VanDerWaalsContact O-CB 3.28Å; K256-A259 WeakPolarHBondContact O-CB 3.44Å; K256-A259 PolarHBondContact O-N 3.04Å; K256-F260 VanDerWaalsContact O-CD1 3.27Å; K256-F260 WeakPolarHBondContact O-CD1 3.25Å; K256-F260 PolarHBondContact O-N 3.2Å; K256-F398 HydrophobicContact CB-CD1 3.89Å; K256-F398 HydrophobicContact CB-CE1 4.43Å; K256-F398 HydrophobicContact CD-CB 4.38Å; K256-F398 HydrophobicContact CD-CD1 4.06Å; K256-F398 HydrophobicContact CG-CD1 4.15Å; K256-S399 VanDerWaalsContact NZ-C 3.29Å; K256-S399 PolarHBondContact NZ-O 2.95Å
257	T	93.9	Very high	90.5	Very high	24 Å²	24	12 Å²	12	15%	0.147	7%	0.073	C	C	.	.	H	α-helix	trans	-58.4	-43.6	-176.9	-44.6	0	0	0	0	112.9	G255 F260 L261 I299 E302	G255-T257 VanDerWaalsContact C-N 3.26Å; G255-T257 PolarHBondContact O-N 3.27Å; T257-F260 HydrophobicContact CG2-CE2 4.45Å; T257-F260 HydrophobicContact CG2-CZ 4.02Å; T257-L261 HydrophobicContact CG2-CD1 3.81Å; T257-L261 HydrophobicContact CG2-CG 4.4Å; T257-L261 WeakPolarHBondContact O-CB 3.37Å; T257-L261 VanDerWaalsContact O-CG 3.27Å; T257-L261 WeakPolarHBondContact O-CG 3.36Å; T257-L261 PolarHBondContact O-N 3.2Å; T257-I299 HydrophobicContact CG2-CB 4.35Å; T257-I299 HydrophobicContact CG2-CG1 4.01Å; T257-I299 HydrophobicContact CG2-CG2 4.14Å; T257-E302 HydrophobicContact CG2-CB 4.22Å; T257-E302 HydrophobicContact CG2-CG 4.41Å
258	A	94.5	Very high	90.3	Very high	2 Å²	2	12 Å²	12	2%	0.017	7%	0.073	C	C	.	.	H	α-helix	trans	-74.1	-28.2	176.1	0	0	0	0	0	112.7	Y226 G255 K256 F260 L261 L262 F306	Y226-A258 HydrophobicContact CE2-CB 3.72Å; G255-A258 PolarHBondContact O-N 3.32Å; K256-A258 PolarHBondContact O-N 3.49Å; A258-F260 PolarHBondContact O-N 2.91Å; A258-L261 PolarHBondContact O-N 3.48Å; A258-L262 HydrophobicContact CB-CD1 4.27Å; A258-L262 HydrophobicContact CB-CG 4.42Å; A258-L262 WeakPolarHBondContact O-CB 3.42Å; A258-L262 VanDerWaalsContact O-CG 3.3Å; A258-L262 WeakPolarHBondContact O-CG 3.3Å; A258-L262 PolarHBondContact O-N 3.37Å; A258-L262 VanDerWaalsContact O-N 3.13Å; A258-F306 HydrophobicContact CB-CE2 3.91Å; A258-F306 HydrophobicContact CB-CZ 3.93Å
259	A	96.1	Very high	90.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60	-33.2	177.1	0	0	0	0	0	112.4	V232 Q233 I240 G255 K256 P263 F398	V232-A259 HydrophobicContact CG1-CB 4.46Å; Q233-A259 HydrophobicContact CB-CB 4.38Å; Q233-A259 HydrophobicContact CG-CB 3.76Å; I240-A259 WeakPolarHBondContact CD1-O 3.32Å; G255-A259 PolarHBondContact O-N 2.91Å; K256-A259 VanDerWaalsContact O-CB 3.28Å; K256-A259 WeakPolarHBondContact O-CB 3.44Å; K256-A259 PolarHBondContact O-N 3.04Å; A259-P263 VanDerWaalsContact O-CD 3.3Å; A259-P263 WeakPolarHBondContact O-CD 3.35Å; A259-P263 VanDerWaalsContact O-CG 3.28Å; A259-P263 WeakPolarHBondContact O-CG 3.38Å; A259-F398 HydrophobicContact CB-CE1 4.49Å
260	F	97.3	Very high	89.9	Confident	0 Å²	0	18 Å²	18	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-94.2	-38.6	171.6	63.9	-106.2	0	0	0	114.6	I240 K256 T257 A258 L262 P263 I264 I288 I299 V362 D364 L396 F398	I240-F260 HydrophobicContact CD1-CB 4.08Å; K256-F260 VanDerWaalsContact O-CD1 3.27Å; K256-F260 WeakPolarHBondContact O-CD1 3.25Å; K256-F260 PolarHBondContact O-N 3.2Å; T257-F260 HydrophobicContact CG2-CE2 4.45Å; T257-F260 HydrophobicContact CG2-CZ 4.02Å; A258-F260 PolarHBondContact O-N 2.91Å; F260-L262 PolarHBondContact O-N 3.21Å; F260-P263 WeakPolarHBondContact O-CD 3.15Å; F260-I264 HydrophobicContact CB-CD1 4.28Å; F260-I264 HydrophobicContact CD2-CD1 4.42Å; F260-I264 WeakPolarHBondContact O-CB 3.3Å; F260-I264 WeakPolarHBondContact O-CD1 3.32Å; F260-I264 WeakPolarHBondContact O-CG1 3.32Å; F260-I264 PolarHBondContact O-N 3.35Å; F260-I288 HydrophobicContact CE2-CD1 4.1Å; F260-I288 HydrophobicContact CE2-CG1 4.49Å; F260-I288 HydrophobicContact CE2-CG2 4.16Å; F260-I288 HydrophobicContact CZ-CG2 4.34Å; F260-I299 HydrophobicContact CE2-CG2 4.25Å; F260-I299 HydrophobicContact CZ-CG2 4.24Å; F260-V362 HydrophobicContact CD1-CG1 4Å; F260-V362 HydrophobicContact CD2-CG1 3.94Å; F260-V362 HydrophobicContact CD2-CG2 4.4Å; F260-V362 HydrophobicContact CE1-CG1 4.04Å; F260-V362 HydrophobicContact CE2-CG1 4.02Å; F260-V362 HydrophobicContact CG-CG1 3.94Å; F260-V362 HydrophobicContact CZ-CG1 4.06Å; F260-D364 HydrophobicContact CE1-CB 4.37Å; F260-D364 HydrophobicContact CZ-CB 4.5Å; F260-L396 HydrophobicContact CB-CD1 4.14Å; F260-F398 HydrophobicContact CB-CE2 3.68Å; F260-F398 HydrophobicContact CB-CZ 3.86Å; F260-F398 HydrophobicContact CD1-CD1 4.45Å; F260-F398 AromaticContact CD1-CD2 3.61Å; F260-F398 HydrophobicContact CD1-CD2 3.61Å; F260-F398 HydrophobicContact CD1-CE1 4.29Å; F260-F398 AromaticContact CD1-CE2 3.42Å; F260-F398 HydrophobicContact CD1-CE2 3.42Å; F260-F398 VanDerWaalsContact CD1-CE2 3.42Å; F260-F398 HydrophobicContact CD1-CG 4.14Å; F260-F398 AromaticContact CD1-CZ 3.8Å; F260-F398 HydrophobicContact CD1-CZ 3.8Å; F260-F398 HydrophobicContact CE1-CD2 4.12Å; F260-F398 HydrophobicContact CE1-CE2 4.36Å; F260-F398 HydrophobicContact CE1-CG 4.44Å; F260-F398 HydrophobicContact CG-CD2 4.46Å; F260-F398 AromaticContact CG-CE2 3.94Å; F260-F398 HydrophobicContact CG-CE2 3.94Å; F260-F398 HydrophobicContact CG-CZ 4.33Å
261	L	97.7	Very high	89.9	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-63	-42.3	-176.7	-75.1	177.8	0	0	0	112.9	T257 A258 L265 I288 E302 A303 F306	T257-L261 HydrophobicContact CG2-CD1 3.81Å; T257-L261 HydrophobicContact CG2-CG 4.4Å; T257-L261 WeakPolarHBondContact O-CB 3.37Å; T257-L261 VanDerWaalsContact O-CG 3.27Å; T257-L261 WeakPolarHBondContact O-CG 3.36Å; T257-L261 PolarHBondContact O-N 3.2Å; A258-L261 PolarHBondContact O-N 3.48Å; L261-L265 WeakPolarHBondContact O-CB 3.4Å; L261-L265 WeakPolarHBondContact O-CG 3.28Å; L261-L265 PolarHBondContact O-N 3.05Å; L261-I288 HydrophobicContact CD2-CD1 3.71Å; L261-E302 HydrophobicContact CD1-CB 3.8Å; L261-A303 HydrophobicContact CD1-CB 4.15Å; L261-A303 HydrophobicContact CD2-CB 3.95Å; L261-F306 HydrophobicContact CB-CD2 4.1Å; L261-F306 HydrophobicContact CD1-CD2 3.95Å; L261-F306 HydrophobicContact CD1-CE2 4.28Å
262	L	96.6	Very high	89.9	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.5	-53.6	-175.8	-64	176.9	0	0	0	113.7	F208 L213 I221 I237 A258 F260 L265 Q266 F306	F208-L262 HydrophobicContact CD1-CD1 4.39Å; F208-L262 HydrophobicContact CE1-CD1 3.96Å; L213-L262 HydrophobicContact CD1-CB 4.39Å; I221-L262 HydrophobicContact CD1-CD1 3.75Å; I221-L262 HydrophobicContact CD1-CD2 3.83Å; I221-L262 HydrophobicContact CD1-CG 4.38Å; I221-L262 HydrophobicContact CG1-CD1 4.09Å; I221-L262 HydrophobicContact CG1-CD2 3.79Å; I237-L262 HydrophobicContact CD1-CD1 4.16Å; A258-L262 HydrophobicContact CB-CD1 4.27Å; A258-L262 HydrophobicContact CB-CG 4.42Å; A258-L262 WeakPolarHBondContact O-CB 3.42Å; A258-L262 VanDerWaalsContact O-CG 3.3Å; A258-L262 WeakPolarHBondContact O-CG 3.3Å; A258-L262 PolarHBondContact O-N 3.37Å; A258-L262 VanDerWaalsContact O-N 3.13Å; F260-L262 PolarHBondContact O-N 3.21Å; L262-L265 PolarHBondContact O-N 2.97Å; L262-Q266 WeakPolarHBondContact O-CB 3.49Å; L262-Q266 PolarHBondContact O-N 3.43Å; L262-F306 HydrophobicContact CD2-CB 4.21Å; L262-F306 HydrophobicContact CD2-CD1 3.65Å; L262-F306 HydrophobicContact CD2-CD2 4.2Å; L262-F306 HydrophobicContact CD2-CE1 4.04Å; L262-F306 HydrophobicContact CD2-CG 3.75Å; L262-F306 HydrophobicContact CD2-CZ 4.48Å
263	P	96.9	Very high	90	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.019	15%	0.147	C	C	.	.	H	α-helix	trans	-67.9	-33.9	178.2	27	-36.1	0	0	0	113	I237 I240 S241 A259 F260 Q266 Q267	I237-P263 HydrophobicContact CG2-CB 4.41Å; I240-P263 HydrophobicContact CB-CB 4.01Å; I240-P263 HydrophobicContact CB-CG 3.72Å; I240-P263 HydrophobicContact CD1-CG 4.05Å; I240-P263 HydrophobicContact CG2-CB 3.81Å; I240-P263 HydrophobicContact CG2-CG 3.63Å; S241-P263 WeakPolarHBondContact OG-CB 3.22Å; A259-P263 VanDerWaalsContact O-CD 3.3Å; A259-P263 WeakPolarHBondContact O-CD 3.35Å; A259-P263 VanDerWaalsContact O-CG 3.28Å; A259-P263 WeakPolarHBondContact O-CG 3.38Å; F260-P263 WeakPolarHBondContact O-CD 3.15Å; P263-Q266 PolarHBondContact O-N 3.13Å; P263-Q267 PolarHBondContact O-N 3.28Å
264	I	96.9	Very high	89.7	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-52.6	174.5	-67.7	173	0	0	0	110	F260 Q266 Q267 L268 A286 Y360 V362 L396	F260-I264 HydrophobicContact CB-CD1 4.28Å; F260-I264 HydrophobicContact CD2-CD1 4.42Å; F260-I264 WeakPolarHBondContact O-CB 3.3Å; F260-I264 WeakPolarHBondContact O-CD1 3.32Å; F260-I264 WeakPolarHBondContact O-CG1 3.32Å; F260-I264 PolarHBondContact O-N 3.35Å; I264-Q266 VanDerWaalsContact C-N 3.29Å; I264-Q266 PolarHBondContact O-N 3.48Å; I264-Q267 PolarHBondContact O-N 3.29Å; I264-L268 HydrophobicContact CG2-CD1 4.06Å; I264-L268 HydrophobicContact CG2-CG 4.18Å; I264-L268 VanDerWaalsContact O-CG 3.32Å; I264-L268 WeakPolarHBondContact O-CG 3.39Å; I264-L268 PolarHBondContact O-N 3.46Å; I264-A286 HydrophobicContact CG2-CB 4.01Å; I264-Y360 HydrophobicContact CD1-CD1 4.09Å; I264-Y360 HydrophobicContact CD1-CG 4.19Å; I264-Y360 HydrophobicContact CG1-CD1 3.64Å; I264-Y360 HydrophobicContact CG1-CD2 4.49Å; I264-Y360 HydrophobicContact CG1-CE1 3.97Å; I264-Y360 HydrophobicContact CG1-CG 3.93Å; I264-Y360 HydrophobicContact CG2-CD2 3.95Å; I264-Y360 HydrophobicContact CG2-CE2 4.35Å; I264-Y360 HydrophobicContact CG2-CG 4.08Å; I264-V362 HydrophobicContact CD1-CG2 3.63Å; I264-L396 HydrophobicContact CD1-CD1 4.08Å
265	L	95.9	Very high	89.2	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-38.5	-179.9	-69.7	173.2	0	0	0	111.7	L217 L261 L262 Q267 L268 M269 F306 A307 V312 V336	L217-L265 HydrophobicContact CD1-CB 4.21Å; L217-L265 HydrophobicContact CD2-CB 4.02Å; L217-L265 HydrophobicContact CD2-CD1 4.27Å; L261-L265 WeakPolarHBondContact O-CB 3.4Å; L261-L265 WeakPolarHBondContact O-CG 3.28Å; L261-L265 PolarHBondContact O-N 3.05Å; L262-L265 PolarHBondContact O-N 2.97Å; L265-Q267 PolarHBondContact O-N 2.75Å; L265-L268 PolarHBondContact O-N 3.29Å; L265-M269 WeakPolarHBondContact O-CB 3.37Å; L265-M269 VanDerWaalsContact O-CG 3.28Å; L265-M269 WeakPolarHBondContact O-CG 3.48Å; L265-M269 PolarHBondContact O-N 3.45Å; L265-F306 HydrophobicContact CD1-CB 3.47Å; L265-F306 VanDerWaalsContact CD1-CB 3.47Å; L265-A307 HydrophobicContact CD1-CB 4.33Å; L265-A307 HydrophobicContact CD2-CB 4.13Å; L265-V312 HydrophobicContact CD2-CB 4.15Å; L265-V312 HydrophobicContact CD2-CG1 3.73Å; L265-V312 HydrophobicContact CD2-CG2 4.41Å; L265-V336 HydrophobicContact CD2-CG2 4.41Å
266	Q	94.4	Very high	88.3	Confident	29 Å²	29	27.2 Å²	27.2	14%	0.136	17%	0.171	C	C	.	.	H	α-helix	trans	-57.8	-48.2	174.4	176	56.5	39.7	0	0	111.7	L213 C214 L217 L262 P263 I264 M269 T270	L213-Q266 HydrophobicContact CD2-CB 3.75Å; L213-Q266 HydrophobicContact CD2-CG 3.99Å; C214-Q266 PolarHBondContact SG-OE1 3.34Å; L217-Q266 HydrophobicContact CD1-CB 3.8Å; L262-Q266 WeakPolarHBondContact O-CB 3.49Å; L262-Q266 PolarHBondContact O-N 3.43Å; P263-Q266 PolarHBondContact O-N 3.13Å; I264-Q266 VanDerWaalsContact C-N 3.29Å; I264-Q266 PolarHBondContact O-N 3.48Å; Q266-M269 PolarHBondContact O-N 3.44Å; Q266-T270 PolarHBondContact NE2-OG1 3.01Å; Q266-T270 WeakPolarHBondContact O-CB 3.47Å; Q266-T270 PolarHBondContact O-N 3.34Å; Q266-T270 PolarHBondContact O-OG1 3Å
267	Q	93.6	Very high	87.3	Confident	56 Å²	56	35.2 Å²	35.2	26%	0.262	20%	0.201	S	C	.	.	H	α-helix	trans	-72.8	-36.6	-177.8	-161.7	59.7	38	0	0	112.3	P263 I264 L265 M269 T270 D271 Y360	P263-Q267 PolarHBondContact O-N 3.28Å; I264-Q267 PolarHBondContact O-N 3.29Å; L265-Q267 PolarHBondContact O-N 2.75Å; Q267-M269 VanDerWaalsContact C-N 3.27Å; Q267-M269 PolarHBondContact O-N 3.01Å; Q267-T270 PolarHBondContact O-N 3.03Å; Q267-D271 WeakPolarHBondContact CG-OD2 3.47Å; Q267-D271 PolarHBondContact NE2-OD1 2.88Å; Q267-D271 PolarHBondContact NE2-OD2 3.34Å; Q267-D271 PolarHBondContact O-N 2.8Å; Q267-Y360 VanDerWaalsContact CB-OH 3.27Å; Q267-Y360 WeakPolarHBondContact CB-OH 3.39Å; Q267-Y360 VanDerWaalsContact CG-OH 3.23Å; Q267-Y360 WeakPolarHBondContact CG-OH 3.27Å
268	L	92.8	Very high	86.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-33.9	171.7	-66.1	-170.7	0	0	0	112.8	I264 L265 G272 E285 A286 V312 V336 Y360	I264-L268 HydrophobicContact CG2-CD1 4.06Å; I264-L268 HydrophobicContact CG2-CG 4.18Å; I264-L268 VanDerWaalsContact O-CG 3.32Å; I264-L268 WeakPolarHBondContact O-CG 3.39Å; I264-L268 PolarHBondContact O-N 3.46Å; L265-L268 PolarHBondContact O-N 3.29Å; L268-G272 CarbonylContact O-C 3.56Å; L268-E285 HydrophobicContact CD2-CB 3.42Å; L268-E285 VanDerWaalsContact CD2-CB 3.42Å; L268-E285 HydrophobicContact CD2-CG 4.2Å; L268-A286 HydrophobicContact CD1-CB 4.35Å; L268-V312 HydrophobicContact CB-CG2 4.07Å; L268-V312 HydrophobicContact CD1-CG1 4.02Å; L268-V336 HydrophobicContact CD1-CG2 3.7Å; L268-Y360 HydrophobicContact CD2-CD2 4.32Å; L268-Y360 HydrophobicContact CD2-CE2 4.14Å
269	M	90.4	Very high	85.8	Confident	46 Å²	46	45.6 Å²	45.6	23%	0.227	25%	0.249	C	C	.	.	H	α-helix	trans	-76.1	-35	173.5	-72	176.8	63.6	0	0	112.7	C214 L217 L265 Q266 Q267 T310 V312	C214-M269 WeakPolarHBondContact SG-CE 3.36Å; L217-M269 HydrophobicContact CD1-SD 4.31Å; L217-M269 HydrophobicContact CG-SD 4.17Å; L265-M269 WeakPolarHBondContact O-CB 3.37Å; L265-M269 VanDerWaalsContact O-CG 3.28Å; L265-M269 WeakPolarHBondContact O-CG 3.48Å; L265-M269 PolarHBondContact O-N 3.45Å; Q266-M269 PolarHBondContact O-N 3.44Å; Q267-M269 VanDerWaalsContact C-N 3.27Å; Q267-M269 PolarHBondContact O-N 3.01Å; M269-T310 HydrophobicContact CE-CG2 3.9Å; M269-T310 HydrophobicContact SD-CG2 3.55Å; M269-T310 VanDerWaalsContact SD-CG2 3.55Å; M269-V312 HydrophobicContact CG-CG2 3.77Å
270	T	88.4	Confident	85.3	Confident	81 Å²	81	52.5 Å²	52.5	50%	0.497	28%	0.281	S	S	.	.	H	α-helix	trans	-70.1	-45.8	-177.3	-57.3	0	0	0	0	112	Q266 Q267 G272	Q266-T270 PolarHBondContact NE2-OG1 3.01Å; Q266-T270 WeakPolarHBondContact O-CB 3.47Å; Q266-T270 PolarHBondContact O-N 3.34Å; Q266-T270 PolarHBondContact O-OG1 3Å; Q267-T270 PolarHBondContact O-N 3.03Å; T270-G272 VanDerWaalsContact C-N 3.29Å; T270-G272 PolarHBondContact O-N 2.95Å
271	D	84.6	Confident	85	Confident	90 Å²	90	53.4 Å²	53.4	48%	0.481	29%	0.287	S	S	.	.	S	Bend	trans	-84.9	-5.2	-178.6	-56.3	-42.2	0	0	0	113.4	Q267 R359	Q267-D271 WeakPolarHBondContact CG-OD2 3.47Å; Q267-D271 PolarHBondContact NE2-OD1 2.88Å; Q267-D271 PolarHBondContact NE2-OD2 3.34Å; Q267-D271 PolarHBondContact O-N 2.8Å; D271-R359 IonicContact OD2-CZ 2.9Å; D271-R359 IonicContact OD2-NH1 2.64Å; D271-R359 PolarHBondContact OD2-NH1 3.25Å; D271-R359 IonicContact OD2-NH2 3.65Å
272	G	77.4	Confident	84.8	Confident	35 Å²	35	53.5 Å²	53.5	36%	0.361	29%	0.287	S	S	.	.			trans	79.3	161.7	-171.2	0	0	0	0	0	114	L268 T270	L268-G272 CarbonylContact O-C 3.56Å; T270-G272 VanDerWaalsContact C-N 3.29Å; T270-G272 PolarHBondContact O-N 2.95Å
273	V	74.1	Confident	84.7	Confident	53 Å²	53	55.1 Å²	55.1	32%	0.321	30%	0.295	S	S	.	.			trans	-101.3	132.6	-179.2	-73.9	0	0	0	0	111.4	C311 V312 N335	V273-C311 HydrophobicContact CG2-CB 3.92Å; V273-V312 HydrophobicContact CG1-CG2 3.96Å; V273-N335 WeakPolarHBondContact CB-ND2 3.42Å
274	A	66.9	Low	84.7	Confident	51 Å²	51	55 Å²	55	42%	0.421	29%	0.294	S	S	.	.			trans	-103.3	-0.9	-176.4	0	0	0	0	0	114	E285 K357	A274-E285 PolarHBondContact N-OE1 2.98Å; A274-K357 HydrophobicContact CB-CD 4.13Å
275	A	66.9	Low	84.7	Confident	30 Å²	30	55.1 Å²	55.1	25%	0.248	30%	0.295	C	S	.	.			trans	-70	136.4	177	0	0	0	0	0	112.2	N335	A275-N335 VanDerWaalsContact CB-ND2 3.29Å; A275-N335 WeakPolarHBondContact CB-ND2 3.47Å
276	S	67.2	Low	84.8	Confident	51 Å²	51	55.1 Å²	55.1	36%	0.357	30%	0.295	S	S	.	.			trans	-128.9	127.6	-177.4	175.9	0	0	0	0	111.9	F278 S279 Q282	S276-F278 PolarHBondContact O-N 3.04Å; S276-F278 VanDerWaalsContact O-N 3.14Å; S276-F278 PolarHBondContact OG-N 3.26Å; S276-S279 PolarHBondContact O-N 3.23Å; S276-Q282 PolarHBondContact O-NE2 2.72Å
277	R	71.3	Confident	84.9	Confident	185 Å²	185	53.7 Å²	53.7	70%	0.698	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-11.5	175.6	-64.1	-167.2	171.8	156	5.6	114.2	K332	R277-K332 WeakPolarHBondContact CG-O 3.46Å; R277-K332 PolarHBondContact NE-O 3.34Å
278	F	74.4	Confident	85.2	Confident	200 Å²	200	51 Å²	51	88%	0.877	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	0.2	-179.5	-56	-74.8	0	0	0	113.3	S276	S276-F278 PolarHBondContact O-N 3.04Å; S276-F278 VanDerWaalsContact O-N 3.14Å; S276-F278 PolarHBondContact OG-N 3.26Å
279	S	82.4	Confident	85.4	Confident	44 Å²	44	51 Å²	51	31%	0.308	28%	0.276	S	S	.	.			trans	-100.7	128.8	-179.4	-175	0	0	0	0	112.6	S276 T281 Q282	S276-S279 PolarHBondContact O-N 3.23Å; S279-T281 WeakPolarHBondContact CB-O 3.36Å; S279-T281 PolarHBondContact O-N 3.04Å; S279-T281 VanDerWaalsContact O-N 3.16Å; S279-T281 PolarHBondContact OG-N 2.7Å; S279-T281 PolarHBondContact OG-O 3.02Å; S279-Q282 PolarHBondContact O-NE2 3Å
280	E	85	Confident	85.6	Confident	144 Å²	144	48.9 Å²	48.9	67%	0.673	27%	0.265	S	S	*	.	S	Bend	trans	-65.8	-9.9	173.6	-73.6	-154	-163.2	0	0	115	L331 K352	E280-L331 WeakPolarHBondContact O-CD2 3.35Å; E280-K352 WeakPolarHBondContact O-CD 3.49Å; E280-K352 PolarHBondContact O-NZ 2.95Å; E280-K352 IonicContact OE2-NZ 3.34Å; E280-K352 PolarHBondContact OE2-NZ 2.87Å
281	T	90.6	Very high	85.7	Confident	20 Å²	20	45.2 Å²	45.2	12%	0.123	24%	0.243	C	C	.	.	S	Bend	trans	-134.1	132.7	175.6	-53.8	0	0	0	0	108.7	S279 G351 R354	S279-T281 WeakPolarHBondContact CB-O 3.36Å; S279-T281 PolarHBondContact O-N 3.04Å; S279-T281 VanDerWaalsContact O-N 3.16Å; S279-T281 PolarHBondContact OG-N 2.7Å; S279-T281 PolarHBondContact OG-O 3.02Å; T281-G351 WeakPolarHBondContact CB-O 3.32Å; T281-G351 WeakPolarHBondContact CG2-O 3.48Å; T281-G351 PolarHBondContact OG1-O 2.82Å; T281-R354 VanDerWaalsContact CB-NH1 3.29Å; T281-R354 HydrophobicContact CG2-CB 4.05Å; T281-R354 HydrophobicContact CG2-CG 3.77Å; T281-R354 PolarHBondContact OG1-NH1 3.16Å
282	Q	94.6	Very high	85.9	Confident	3 Å²	3	41.2 Å²	41.2	1%	0.014	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-98.4	151.3	175.9	-61.5	-62.5	-53.1	0	0	111.6	S276 S279 I330 C334 K352 V353 R354	S276-Q282 PolarHBondContact O-NE2 2.72Å; S279-Q282 PolarHBondContact O-NE2 3Å; Q282-I330 HydrophobicContact CB-CG2 3.79Å; Q282-I330 HydrophobicContact CG-CG2 3.57Å; Q282-I330 VanDerWaalsContact CG-O 3.31Å; Q282-I330 WeakPolarHBondContact CG-O 3.32Å; Q282-C334 HydrophobicContact CB-CB 3.94Å; Q282-C334 HydrophobicContact CG-CB 4.15Å; Q282-K352 PolarHBondContact N-O 3.01Å; Q282-V353 CarbonylContact O-C 3.56Å; Q282-V353 WeakPolarHBondContact O-CA 3.33Å; Q282-R354 PolarHBondContact O-N 3.44Å
283	E	94.4	Very high	86.4	Confident	34 Å²	34	43.2 Å²	43.2	16%	0.159	22%	0.218	C	C	.	.			trans	-128.8	77	-176.5	-73.2	168	168.3	0	0	108.5	R354 K357	E283-R354 WeakPolarHBondContact CA-O 3.36Å; E283-R354 HydrophobicContact CG-CB 3.77Å; E283-R354 IonicContact OE1-CZ 3.43Å; E283-R354 IonicContact OE1-NE 2.69Å; E283-R354 PolarHBondContact OE1-NE 2.71Å; E283-R354 IonicContact OE1-NH2 3.69Å; E283-R354 PolarHBondContact OE1-NH2 3.3Å; E283-K357 HydrophobicContact CB-CB 4.2Å; E283-K357 HydrophobicContact CB-CD 3.81Å; E283-K357 HydrophobicContact CB-CG 4.08Å; E283-K357 VanDerWaalsContact OE2-CE 3.25Å; E283-K357 WeakPolarHBondContact OE2-CE 3.43Å; E283-K357 IonicContact OE2-NZ 2.64Å; E283-K357 PolarHBondContact OE2-NZ 2.81Å
284	P	96.1	Very high	87	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.			trans	-64.6	138.4	-175.7	26.5	-34.2	0	0	0	111.2	A286 C334 N335 V337 V353 V358	P284-A286 VanDerWaalsContact C-N 3.3Å; P284-C334 WeakPolarHBondContact CA-O 3.4Å; P284-N335 CarbonylContact C-O 3.52Å; P284-N335 WeakPolarHBondContact CA-O 3.23Å; P284-N335 VanDerWaalsContact CB-O 3.25Å; P284-N335 WeakPolarHBondContact CB-O 3.5Å; P284-V337 HydrophobicContact CB-CB 4.37Å; P284-V337 HydrophobicContact CB-CG1 4.14Å; P284-V337 HydrophobicContact CG-CB 4.19Å; P284-V337 HydrophobicContact CG-CG1 3.66Å; P284-V353 HydrophobicContact CG-CG1 4.04Å; P284-V358 VanDerWaalsContact O-CG2 3.32Å; P284-V358 WeakPolarHBondContact O-CG2 3.46Å
285	E	96.6	Very high	88.1	Confident	5 Å²	5	39.2 Å²	39.2	2%	0.023	19%	0.187	C	C	.	.	S	Bend	trans	-75.6	-19	175.2	-56.4	91.2	160	0	0	112.8	L268 A274 N335 K357 R359 Y360	L268-E285 HydrophobicContact CD2-CB 3.42Å; L268-E285 VanDerWaalsContact CD2-CB 3.42Å; L268-E285 HydrophobicContact CD2-CG 4.2Å; A274-E285 PolarHBondContact N-OE1 2.98Å; E285-N335 PolarHBondContact N-O 2.78Å; E285-N335 PolarHBondContact OE1-ND2 3.2Å; E285-N335 VanDerWaalsContact OE1-ND2 3.14Å; E285-N335 WeakPolarHBondContact OE2-CA 3.36Å; E285-N335 WeakPolarHBondContact OE2-CB 3.27Å; E285-N335 PolarHBondContact OE2-ND2 2.79Å; E285-K357 WeakPolarHBondContact CA-O 3.45Å; E285-R359 PolarHBondContact O-N 2.63Å; E285-Y360 PolarHBondContact O-N 2.91Å; E285-Y360 VanDerWaalsContact O-N 3.12Å
286	A	97.8	Very high	89.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.7	175.1	0	0	0	0	0	112.9	I264 L268 P284 N335 V336 V337 Y360	I264-A286 HydrophobicContact CG2-CB 4.01Å; L268-A286 HydrophobicContact CD1-CB 4.35Å; P284-A286 VanDerWaalsContact C-N 3.3Å; A286-N335 PolarHBondContact N-O 3.46Å; A286-V336 HydrophobicContact CB-CB 4.47Å; A286-V336 HydrophobicContact CB-CG1 4.17Å; A286-V336 HydrophobicContact CB-CG2 4.19Å; A286-V336 WeakPolarHBondContact O-CA 3.35Å; A286-V337 PolarHBondContact O-N 3.32Å; A286-Y360 WeakPolarHBondContact CA-O 3.39Å; A286-Y360 HydrophobicContact CB-CD2 4.38Å
287	V	98.3	Very high	90.5	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.7	173.5	174.3	0	0	0	0	108.2	V289 V337 L344 L355 V358 Y360 L361 V362	V287-V289 HydrophobicContact CG1-CG2 3.8Å; V287-V337 HydrophobicContact CB-CG1 4.22Å; V287-V337 HydrophobicContact CG1-CG1 4.33Å; V287-V337 HydrophobicContact CG2-CG1 3.71Å; V287-L344 HydrophobicContact CG1-CD2 3.66Å; V287-L355 HydrophobicContact CG2-CD2 4.07Å; V287-V358 HydrophobicContact CB-CG1 4.34Å; V287-V358 HydrophobicContact CG2-CB 4.45Å; V287-V358 HydrophobicContact CG2-CG1 3.94Å; V287-V358 HydrophobicContact CG2-CG2 3.56Å; V287-Y360 PolarHBondContact N-O 3.02Å; V287-L361 HydrophobicContact CB-CD1 4.15Å; V287-L361 HydrophobicContact CG1-CD1 3.92Å; V287-L361 WeakPolarHBondContact O-CA 3.28Å; V287-V362 PolarHBondContact O-N 2.67Å
288	I	98.5	Very high	91.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.7	174.9	-55	163.8	0	0	0	108.2	F260 L261 I296 I299 V336 V337 C338 G339 V362	F260-I288 HydrophobicContact CE2-CD1 4.1Å; F260-I288 HydrophobicContact CE2-CG1 4.49Å; F260-I288 HydrophobicContact CE2-CG2 4.16Å; F260-I288 HydrophobicContact CZ-CG2 4.34Å; L261-I288 HydrophobicContact CD2-CD1 3.71Å; I288-I296 HydrophobicContact CG2-CD1 4.26Å; I288-I299 HydrophobicContact CD1-CG2 4.38Å; I288-I299 HydrophobicContact CG2-CG2 3.92Å; I288-V336 HydrophobicContact CD1-CG1 3.52Å; I288-V336 HydrophobicContact CG1-CG1 4.24Å; I288-V337 PolarHBondContact N-O 3.47Å; I288-C338 CarbonylContact O-C 3.52Å; I288-C338 WeakPolarHBondContact O-CA 3.28Å; I288-G339 PolarHBondContact O-N 3.02Å; I288-V362 HydrophobicContact CB-CB 4.31Å; I288-V362 HydrophobicContact CG1-CB 4.02Å; I288-V362 HydrophobicContact CG1-CG2 4.04Å; I288-V362 HydrophobicContact CG2-CB 4.1Å; I288-V362 HydrophobicContact CG2-CG1 4.32Å
289	V	97.6	Very high	92.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.9	-175.3	-164	0	0	0	0	110.3	V287 G339 P341 L344 L361 V362 D364 M369 M378 L381	V287-V289 HydrophobicContact CG1-CG2 3.8Å; V289-G339 WeakPolarHBondContact CA-O 3.12Å; V289-G339 WeakPolarHBondContact CG1-O 3.25Å; V289-P341 HydrophobicContact CG1-CG 3.7Å; V289-L344 HydrophobicContact CG2-CD2 4.21Å; V289-L361 HydrophobicContact CG2-CD1 4.42Å; V289-V362 PolarHBondContact N-O 3.31Å; V289-D364 PolarHBondContact O-N 2.69Å; V289-M369 HydrophobicContact CB-SD 4.41Å; V289-M369 HydrophobicContact CG1-SD 3.88Å; V289-M378 HydrophobicContact CB-CE 4.13Å; V289-M378 HydrophobicContact CG1-CE 4.01Å; V289-M378 HydrophobicContact CG1-SD 3.74Å; V289-M378 HydrophobicContact CG2-CE 4.26Å; V289-L381 HydrophobicContact CG2-CD2 3.69Å
290	A	94.5	Very high	93	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.09	C	C	.	.			trans	-144.6	153.6	177.3	0	0	0	0	0	111.3	L295 I296 I299 G339	A290-L295 HydrophobicContact CB-CD2 3.73Å; A290-L295 HydrophobicContact CB-CG 3.87Å; A290-I296 HydrophobicContact CB-CB 4.16Å; A290-I296 HydrophobicContact CB-CD1 3.88Å; A290-I299 HydrophobicContact CB-CD1 3.91Å; A290-G339 PolarHBondContact N-O 2.89Å
291	P	90.1	Very high	93.4	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.032	7%	0.072	C	C	.	.	S	Bend	trans	-70.5	-35.1	-170.7	23.4	-33.3	0	0	0	114.7	L295 D364 E365 R368 M369 M372 F374	P291-L295 HydrophobicContact CG-CD2 4.47Å; P291-D364 VanDerWaalsContact CD-O 3.22Å; P291-D364 WeakPolarHBondContact CD-O 3.05Å; P291-E365 HydrophobicContact CG-CB 3.92Å; P291-R368 HydrophobicContact CG-CB 4.08Å; P291-M369 HydrophobicContact CB-CG 3.82Å; P291-M369 HydrophobicContact CG-CG 4.16Å; P291-M372 HydrophobicContact CB-SD 3.82Å; P291-F374 HydrophobicContact CB-CD2 4.4Å; P291-F374 HydrophobicContact CB-CE2 4.21Å; P291-F374 WeakPolarHBondContact O-CE2 3.4Å
292	T	88.4	Confident	93.6	Very high	6 Å²	6	16 Å²	16	4%	0.037	7%	0.074	C	C	.	.	S	Bend	trans	-108.1	147.7	-175.2	72.1	0	0	0	0	112.4	E294 L295 I296 M372 R520	T292-E294 PolarHBondContact O-N 3.16Å; T292-L295 PolarHBondContact O-N 2.79Å; T292-L295 WeakPolarHBondContact OG1-CB 3.44Å; T292-L295 PolarHBondContact OG1-N 3.03Å; T292-I296 PolarHBondContact O-N 3.41Å; T292-I296 VanDerWaalsContact O-N 3.09Å; T292-M372 HydrophobicContact CG2-SD 4.45Å; T292-R520 PolarHBondContact OG1-O 3.39Å
293	R	89.7	Confident	93.6	Very high	77 Å²	77	15.8 Å²	15.8	29%	0.291	7%	0.073	S	C	.	.	H	α-helix	trans	-61	-34.8	-179.5	-58.5	172	-177.2	173.7	4.4	111.5	I296 N297 Y318 G319 T340	R293-I296 WeakPolarHBondContact O-CG2 3.25Å; R293-N297 WeakPolarHBondContact O-CB 3.45Å; R293-N297 PolarHBondContact O-N 3.24Å; R293-Y318 HydrophobicContact CB-CD2 3.74Å; R293-Y318 HydrophobicContact CB-CG 4.11Å; R293-Y318 HydrophobicContact CG-CD2 4.16Å; R293-G319 WeakPolarHBondContact CD-O 3.4Å; R293-G319 PolarHBondContact NE-O 2.85Å; R293-T340 HydrophobicContact CG-CG2 4.21Å
294	E	86.4	Confident	93.6	Very high	15 Å²	15	16.4 Å²	16.4	7%	0.07	7%	0.074	C	C	.	.	H	α-helix	trans	-79	-42.5	-176.7	-65.8	63.4	-136.5	0	0	111.7	T292 N297 Q298 Q494 R497 L501 L522	T292-E294 PolarHBondContact O-N 3.16Å; E294-N297 PolarHBondContact O-N 3.39Å; E294-Q298 WeakPolarHBondContact O-CB 3.31Å; E294-Q298 PolarHBondContact O-N 2.72Å; E294-Q494 PolarHBondContact OE1-NE2 3.26Å; E294-Q494 PolarHBondContact OE1-OE1 3.28Å; E294-R497 IonicContact OE1-CZ 2.7Å; E294-R497 VanDerWaalsContact OE1-CZ 3.3Å; E294-R497 IonicContact OE1-NH1 3.71Å; E294-R497 PolarHBondContact OE1-NH1 3.12Å; E294-R497 IonicContact OE1-NH2 2.79Å; E294-R497 PolarHBondContact OE1-NH2 3.38Å; E294-R497 IonicContact OE2-CZ 3.18Å; E294-R497 IonicContact OE2-NH1 3.56Å; E294-R497 PolarHBondContact OE2-NH1 3.43Å; E294-R497 VanDerWaalsContact OE2-NH1 3.08Å; E294-R497 IonicContact OE2-NH2 2.68Å; E294-R497 PolarHBondContact OE2-NH2 3.39Å; E294-L501 HydrophobicContact CB-CD1 4.37Å; E294-L501 HydrophobicContact CG-CD1 3.78Å; E294-L522 HydrophobicContact CB-CD2 3.18Å; E294-L522 HydrophobicContact CG-CD2 3.96Å
295	L	88.7	Confident	93.5	Very high	4 Å²	4	17 Å²	17	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-61	-45.4	172.8	172.5	58.6	0	0	0	110.8	A290 P291 T292 N297 Q298 I299 E365	A290-L295 HydrophobicContact CB-CD2 3.73Å; A290-L295 HydrophobicContact CB-CG 3.87Å; P291-L295 HydrophobicContact CG-CD2 4.47Å; T292-L295 PolarHBondContact O-N 2.79Å; T292-L295 WeakPolarHBondContact OG1-CB 3.44Å; T292-L295 PolarHBondContact OG1-N 3.03Å; L295-N297 VanDerWaalsContact C-N 3.27Å; L295-N297 PolarHBondContact O-N 3.33Å; L295-Q298 WeakPolarHBondContact O-CB 3.35Å; L295-Q298 PolarHBondContact O-N 3.42Å; L295-Q298 VanDerWaalsContact O-N 3.16Å; L295-I299 HydrophobicContact CD1-CD1 3.83Å; L295-I299 HydrophobicContact CD1-CG1 3.98Å; L295-I299 HydrophobicContact CD2-CD1 4.49Å; L295-I299 HydrophobicContact CG-CD1 3.83Å; L295-I299 HydrophobicContact CG-CG1 4.42Å; L295-I299 WeakPolarHBondContact O-CG1 3.36Å; L295-I299 PolarHBondContact O-N 3.25Å; L295-E365 HydrophobicContact CD2-CB 4.32Å; L295-E365 HydrophobicContact CD2-CG 4.13Å
296	I	93.9	Very high	93.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-67.8	-30.3	-179.4	-160.6	60.7	0	0	0	112.5	I288 A290 T292 R293 I299 Y300 V316 Y318 C338 G339 T340	I288-I296 HydrophobicContact CG2-CD1 4.26Å; A290-I296 HydrophobicContact CB-CB 4.16Å; A290-I296 HydrophobicContact CB-CD1 3.88Å; T292-I296 PolarHBondContact O-N 3.41Å; T292-I296 VanDerWaalsContact O-N 3.09Å; R293-I296 WeakPolarHBondContact O-CG2 3.25Å; I296-I299 HydrophobicContact CD1-CB 4.49Å; I296-I299 HydrophobicContact CD1-CD1 4.27Å; I296-Y300 WeakPolarHBondContact O-CB 3.13Å; I296-Y300 PolarHBondContact O-N 3.18Å; I296-V316 HydrophobicContact CG1-CG2 4.31Å; I296-V316 HydrophobicContact CG2-CG2 4.09Å; I296-Y318 HydrophobicContact CG2-CD1 4.41Å; I296-C338 HydrophobicContact CD1-CB 3.68Å; I296-C338 HydrophobicContact CG1-CB 3.76Å; I296-G339 VanDerWaalsContact CG1-N 3.34Å; I296-T340 HydrophobicContact CG2-CG2 3.81Å
297	N	92.1	Very high	93.3	Very high	36 Å²	36	17.1 Å²	17.1	19%	0.193	8%	0.078	C	C	.	.	H	α-helix	trans	-69.2	-38.3	172	-169.4	59.4	0	0	0	112.1	R293 E294 L295 Y300 L301 Y318	R293-N297 WeakPolarHBondContact O-CB 3.45Å; R293-N297 PolarHBondContact O-N 3.24Å; E294-N297 PolarHBondContact O-N 3.39Å; L295-N297 VanDerWaalsContact C-N 3.27Å; L295-N297 PolarHBondContact O-N 3.33Å; N297-Y300 WeakPolarHBondContact O-CB 3.43Å; N297-Y300 PolarHBondContact O-N 3.48Å; N297-L301 WeakPolarHBondContact O-CG 3.35Å; N297-L301 PolarHBondContact O-N 3.23Å; N297-Y318 HydrophobicContact CB-CE1 4.19Å
298	Q	90.1	Very high	93	Very high	31 Å²	31	19.8 Å²	19.8	15%	0.145	9%	0.091	C	C	.	.	H	α-helix	trans	-63.7	-47	172.2	172.7	-159.2	-41	0	0	112	E294 L295 Y300 L301 E302 D523	E294-Q298 WeakPolarHBondContact O-CB 3.31Å; E294-Q298 PolarHBondContact O-N 2.72Å; L295-Q298 WeakPolarHBondContact O-CB 3.35Å; L295-Q298 PolarHBondContact O-N 3.42Å; L295-Q298 VanDerWaalsContact O-N 3.16Å; Q298-Y300 PolarHBondContact O-N 2.96Å; Q298-L301 WeakPolarHBondContact O-CB 3.46Å; Q298-L301 PolarHBondContact O-N 3.28Å; Q298-E302 PolarHBondContact O-N 2.81Å; Q298-D523 VanDerWaalsContact CD-CB 3.41Å; Q298-D523 HydrophobicContact CG-CB 4.36Å
299	I	94.6	Very high	92.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.1	-39.4	175.3	-65.9	165.7	0	0	0	110.5	T257 F260 I288 A290 L295 I296 E302 A303 D364	T257-I299 HydrophobicContact CG2-CB 4.35Å; T257-I299 HydrophobicContact CG2-CG1 4.01Å; T257-I299 HydrophobicContact CG2-CG2 4.14Å; F260-I299 HydrophobicContact CE2-CG2 4.25Å; F260-I299 HydrophobicContact CZ-CG2 4.24Å; I288-I299 HydrophobicContact CD1-CG2 4.38Å; I288-I299 HydrophobicContact CG2-CG2 3.92Å; A290-I299 HydrophobicContact CB-CD1 3.91Å; L295-I299 HydrophobicContact CD1-CD1 3.83Å; L295-I299 HydrophobicContact CD1-CG1 3.98Å; L295-I299 HydrophobicContact CD2-CD1 4.49Å; L295-I299 HydrophobicContact CG-CD1 3.83Å; L295-I299 HydrophobicContact CG-CG1 4.42Å; L295-I299 WeakPolarHBondContact O-CG1 3.36Å; L295-I299 PolarHBondContact O-N 3.25Å; I296-I299 HydrophobicContact CD1-CB 4.49Å; I296-I299 HydrophobicContact CD1-CD1 4.27Å; I299-E302 PolarHBondContact O-N 2.79Å; I299-A303 WeakPolarHBondContact O-CB 3.28Å; I299-A303 PolarHBondContact O-N 3.44Å; I299-D364 HydrophobicContact CD1-CB 4.11Å
300	Y	96	Very high	92.3	Very high	30 Å²	30	24.5 Å²	24.5	12%	0.118	13%	0.134	C	C	.	.	H	α-helix	trans	-64.3	-36.4	172.9	163.9	-115.7	0	0	0	113.6	L169 I296 N297 Q298 A303 R304 P314 V316	L169-Y300 HydrophobicContact CD1-CD1 4.44Å; L169-Y300 HydrophobicContact CD1-CE1 3.62Å; I296-Y300 WeakPolarHBondContact O-CB 3.13Å; I296-Y300 PolarHBondContact O-N 3.18Å; N297-Y300 WeakPolarHBondContact O-CB 3.43Å; N297-Y300 PolarHBondContact O-N 3.48Å; Q298-Y300 PolarHBondContact O-N 2.96Å; Y300-A303 PolarHBondContact O-N 2.96Å; Y300-R304 HydrophobicContact CD2-CG 4.33Å; Y300-R304 HydrophobicContact CE2-CG 3.9Å; Y300-R304 WeakPolarHBondContact O-CG 3.21Å; Y300-R304 PolarHBondContact O-N 3.38Å; Y300-P314 HydrophobicContact CD2-CB 3.87Å; Y300-P314 HydrophobicContact CE2-CB 4.01Å; Y300-V316 HydrophobicContact CD1-CB 3.64Å; Y300-V316 HydrophobicContact CD1-CG1 3.62Å; Y300-V316 HydrophobicContact CD1-CG2 4.35Å; Y300-V316 HydrophobicContact CD2-CB 4.04Å; Y300-V316 HydrophobicContact CE1-CB 4.14Å; Y300-V316 HydrophobicContact CE1-CG1 3.75Å; Y300-V316 HydrophobicContact CG-CB 3.57Å; Y300-V316 HydrophobicContact CG-CG1 4.1Å; Y300-V316 HydrophobicContact CG-CG2 4.2Å
301	L	93.1	Very high	92	Very high	53 Å²	53	28 Å²	28	28%	0.277	16%	0.157	S	C	.	.	H	α-helix	trans	-66.7	-43.1	174.6	-71.2	173.2	0	0	0	111.8	L169 N297 Q298 A303 R304 K305	L169-L301 HydrophobicContact CD1-CD2 3.62Å; L169-L301 HydrophobicContact CD2-CD2 4Å; L169-L301 HydrophobicContact CG-CD2 4.42Å; N297-L301 WeakPolarHBondContact O-CG 3.35Å; N297-L301 PolarHBondContact O-N 3.23Å; Q298-L301 WeakPolarHBondContact O-CB 3.46Å; Q298-L301 PolarHBondContact O-N 3.28Å; L301-A303 VanDerWaalsContact C-N 3.32Å; L301-A303 PolarHBondContact O-N 3.2Å; L301-R304 WeakPolarHBondContact O-CB 3.35Å; L301-R304 PolarHBondContact O-N 2.92Å; L301-K305 WeakPolarHBondContact O-CB 3.38Å; L301-K305 PolarHBondContact O-N 2.95Å
302	E	93.9	Very high	92.1	Very high	36 Å²	36	28.2 Å²	28.2	17%	0.168	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-37.7	172.1	-62	-50.6	117.5	0	0	111.5	T257 L261 Q298 I299 R304 K305 F306	T257-E302 HydrophobicContact CG2-CB 4.22Å; T257-E302 HydrophobicContact CG2-CG 4.41Å; L261-E302 HydrophobicContact CD1-CB 3.8Å; Q298-E302 PolarHBondContact O-N 2.81Å; I299-E302 PolarHBondContact O-N 2.79Å; E302-R304 PolarHBondContact O-N 3.21Å; E302-K305 WeakPolarHBondContact O-CB 2.99Å; E302-K305 PolarHBondContact O-N 2.79Å; E302-K305 WeakPolarHBondContact OE1-CE 3.37Å; E302-K305 IonicContact OE1-NZ 2.69Å; E302-K305 PolarHBondContact OE1-NZ 3.31Å; E302-K305 WeakPolarHBondContact OE2-CE 3.33Å; E302-K305 IonicContact OE2-NZ 2.7Å; E302-K305 PolarHBondContact OE2-NZ 3.43Å; E302-F306 HydrophobicContact CB-CD2 4.48Å; E302-F306 HydrophobicContact CB-CE2 4.17Å; E302-F306 WeakPolarHBondContact O-CD2 3.25Å; E302-F306 PolarHBondContact O-N 3.18Å
303	A	95.8	Very high	92.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-40.2	173.5	0	0	0	0	0	112.2	L261 I299 Y300 L301 A307 P314	L261-A303 HydrophobicContact CD1-CB 4.15Å; L261-A303 HydrophobicContact CD2-CB 3.95Å; I299-A303 WeakPolarHBondContact O-CB 3.28Å; I299-A303 PolarHBondContact O-N 3.44Å; Y300-A303 PolarHBondContact O-N 2.96Å; L301-A303 VanDerWaalsContact C-N 3.32Å; L301-A303 PolarHBondContact O-N 3.2Å; A303-A307 WeakPolarHBondContact O-CB 3.27Å; A303-A307 PolarHBondContact O-N 2.81Å; A303-P314 HydrophobicContact CB-CB 3.96Å; A303-P314 HydrophobicContact CB-CG 3.82Å
304	R	94.2	Very high	92.8	Very high	47 Å²	47	27.3 Å²	27.3	18%	0.177	16%	0.156	C	C	.	.	H	α-helix	trans	-60.9	-43.7	171.2	-75.3	-178.3	76.8	-132.1	9.9	111.5	P170 Y300 L301 E302 A307 H308	P170-R304 PolarHBondContact O-NH1 2.67Å; P170-R304 PolarHBondContact O-NH2 2.9Å; Y300-R304 HydrophobicContact CD2-CG 4.33Å; Y300-R304 HydrophobicContact CE2-CG 3.9Å; Y300-R304 WeakPolarHBondContact O-CG 3.21Å; Y300-R304 PolarHBondContact O-N 3.38Å; L301-R304 WeakPolarHBondContact O-CB 3.35Å; L301-R304 PolarHBondContact O-N 2.92Å; E302-R304 PolarHBondContact O-N 3.21Å; R304-A307 PolarHBondContact O-N 3.38Å; R304-H308 PolarHBondContact O-N 2.95Å
305	K	93.5	Very high	93.3	Very high	13 Å²	13	26.7 Å²	26.7	6%	0.057	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-49.9	-177.9	-171.2	-173.3	-53.8	167.3	0	111.6	I176 F177 S224 L301 E302 H308	I176-K305 HydrophobicContact CG2-CB 4.3Å; I176-K305 HydrophobicContact CG2-CG 4.31Å; I176-K305 WeakPolarHBondContact O-CE 3.16Å; I176-K305 WeakPolarHBondContact O-CG 3.43Å; F177-K305 HydrophobicContact CD1-CD 4.19Å; F177-K305 HydrophobicContact CD1-CG 3.57Å; F177-K305 HydrophobicContact CE1-CG 3.65Å; F177-K305 WeakPolarHBondContact CE1-O 3.49Å; F177-K305 HydrophobicContact CG-CG 4.4Å; S224-K305 VanDerWaalsContact OG-CD 3.23Å; S224-K305 WeakPolarHBondContact OG-CD 3.33Å; L301-K305 WeakPolarHBondContact O-CB 3.38Å; L301-K305 PolarHBondContact O-N 2.95Å; E302-K305 WeakPolarHBondContact O-CB 2.99Å; E302-K305 PolarHBondContact O-N 2.79Å; E302-K305 WeakPolarHBondContact OE1-CE 3.37Å; E302-K305 IonicContact OE1-NZ 2.69Å; E302-K305 PolarHBondContact OE1-NZ 3.31Å; E302-K305 WeakPolarHBondContact OE2-CE 3.33Å; E302-K305 IonicContact OE2-NZ 2.7Å; E302-K305 PolarHBondContact OE2-NZ 3.43Å; K305-H308 WeakPolarHBondContact O-CB 3.23Å; K305-H308 PolarHBondContact O-N 3.18Å
306	F	94.9	Very high	93.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-72.8	-33.9	177.6	-60.5	-52.7	0	0	0	113.1	L217 N220 I221 Y226 A258 L261 L262 L265 E302 H308	L217-F306 HydrophobicContact CD2-CB 4.47Å; L217-F306 WeakPolarHBondContact CD2-O 3.21Å; N220-F306 PolarHBondContact ND2-O 3.45Å; I221-F306 HydrophobicContact CG1-CD1 4.49Å; I221-F306 HydrophobicContact CG1-CE1 4.43Å; Y226-F306 HydrophobicContact CE2-CE1 4.35Å; Y226-F306 AromaticContact CE2-CZ 3.81Å; Y226-F306 HydrophobicContact CE2-CZ 3.81Å; Y226-F306 AromaticContact CZ-CZ 3.88Å; A258-F306 HydrophobicContact CB-CE2 3.91Å; A258-F306 HydrophobicContact CB-CZ 3.93Å; L261-F306 HydrophobicContact CB-CD2 4.1Å; L261-F306 HydrophobicContact CD1-CD2 3.95Å; L261-F306 HydrophobicContact CD1-CE2 4.28Å; L262-F306 HydrophobicContact CD2-CB 4.21Å; L262-F306 HydrophobicContact CD2-CD1 3.65Å; L262-F306 HydrophobicContact CD2-CD2 4.2Å; L262-F306 HydrophobicContact CD2-CE1 4.04Å; L262-F306 HydrophobicContact CD2-CG 3.75Å; L262-F306 HydrophobicContact CD2-CZ 4.48Å; L265-F306 HydrophobicContact CD1-CB 3.47Å; L265-F306 VanDerWaalsContact CD1-CB 3.47Å; E302-F306 HydrophobicContact CB-CD2 4.48Å; E302-F306 HydrophobicContact CB-CE2 4.17Å; E302-F306 WeakPolarHBondContact O-CD2 3.25Å; E302-F306 PolarHBondContact O-N 3.18Å; F306-H308 VanDerWaalsContact C-N 3.28Å; F306-H308 PolarHBondContact O-N 3.38Å
307	A	94.1	Very high	93.9	Very high	7 Å²	7	27.3 Å²	27.3	6%	0.058	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	1.6	175.9	0	0	0	0	0	114.5	L265 A303 R304 G309 T310 V312 P314	L265-A307 HydrophobicContact CD1-CB 4.33Å; L265-A307 HydrophobicContact CD2-CB 4.13Å; A303-A307 WeakPolarHBondContact O-CB 3.27Å; A303-A307 PolarHBondContact O-N 2.81Å; R304-A307 PolarHBondContact O-N 3.38Å; A307-G309 PolarHBondContact O-N 3.21Å; A307-T310 WeakPolarHBondContact O-CB 3.41Å; A307-T310 WeakPolarHBondContact O-CG2 3.21Å; A307-T310 PolarHBondContact O-N 2.69Å; A307-T310 PolarHBondContact O-OG1 2.79Å; A307-V312 HydrophobicContact CB-CB 4.46Å; A307-P314 HydrophobicContact CB-CG 4.1Å
308	H	93.3	Very high	94	Very high	56 Å²	56	25.9 Å²	25.9	26%	0.259	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	130.8	-177.7	179.8	-103.9	0	0	0	111.9	E173 I176 F177 N220 R304 K305 F306 T310	E173-H308 IonicContact OE2-CE1 3.23Å; I176-H308 HydrophobicContact CG2-CB 4.48Å; F177-H308 HydrophobicContact CE2-CB 4.22Å; F177-H308 AromaticContact CE2-CG 3.88Å; F177-H308 AromaticContact CE2-ND1 3.5Å; F177-H308 WeakPolarHBondContact CE2-ND1 3.45Å; F177-H308 HydrophobicContact CZ-CB 3.83Å; F177-H308 AromaticContact CZ-CG 3.98Å; F177-H308 AromaticContact CZ-ND1 3.76Å; N220-H308 PolarHBondContact ND2-O 3.48Å; R304-H308 PolarHBondContact O-N 2.95Å; K305-H308 WeakPolarHBondContact O-CB 3.23Å; K305-H308 PolarHBondContact O-N 3.18Å; F306-H308 VanDerWaalsContact C-N 3.28Å; F306-H308 PolarHBondContact O-N 3.38Å; H308-T310 PolarHBondContact O-N 2.98Å
309	G	89.8	Confident	94.1	Very high	71 Å²	71	25.1 Å²	25.1	73%	0.732	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.2	11.1	-175.4	0	0	0	0	0	115.2	A307	A307-G309 PolarHBondContact O-N 3.21Å
310	T	90.9	Very high	93.8	Very high	28 Å²	28	25.9 Å²	25.9	17%	0.172	16%	0.157	C	C	.	.	S	Bend	trans	-100.9	174.2	174.4	79.3	0	0	0	0	111.8	M269 A307 H308 V312	M269-T310 HydrophobicContact CE-CG2 3.9Å; M269-T310 HydrophobicContact SD-CG2 3.55Å; M269-T310 VanDerWaalsContact SD-CG2 3.55Å; A307-T310 WeakPolarHBondContact O-CB 3.41Å; A307-T310 WeakPolarHBondContact O-CG2 3.21Å; A307-T310 PolarHBondContact O-N 2.69Å; A307-T310 PolarHBondContact O-OG1 2.79Å; H308-T310 PolarHBondContact O-N 2.98Å; T310-V312 VanDerWaalsContact C-N 3.34Å; T310-V312 PolarHBondContact OG1-N 3.12Å
311	C	88.5	Confident	93.6	Very high	74 Å²	74	24.5 Å²	24.5	50%	0.5	15%	0.152	S	C	.	.	S	Bend	trans	-79.1	-12.5	172.5	57.5	0	0	0	0	114.2	V273	V273-C311 HydrophobicContact CG2-CB 3.92Å
312	V	93.3	Very high	93.7	Very high	8 Å²	8	23.2 Å²	23.2	5%	0.048	15%	0.147	C	C	.	.			trans	-82	128.6	-174.1	-173.6	0	0	0	0	110.1	L265 L268 M269 V273 A307 T310 P314 N335 V336	L265-V312 HydrophobicContact CD2-CB 4.15Å; L265-V312 HydrophobicContact CD2-CG1 3.73Å; L265-V312 HydrophobicContact CD2-CG2 4.41Å; L268-V312 HydrophobicContact CB-CG2 4.07Å; L268-V312 HydrophobicContact CD1-CG1 4.02Å; M269-V312 HydrophobicContact CG-CG2 3.77Å; V273-V312 HydrophobicContact CG1-CG2 3.96Å; A307-V312 HydrophobicContact CB-CB 4.46Å; T310-V312 VanDerWaalsContact C-N 3.34Å; T310-V312 PolarHBondContact OG1-N 3.12Å; V312-P314 WeakPolarHBondContact O-CD 3.27Å; V312-N335 HydrophobicContact CG1-CB 3.76Å; V312-V336 HydrophobicContact CG1-CG2 3.79Å
313	R	94.3	Very high	93.7	Very high	55 Å²	55	23 Å²	23	21%	0.208	15%	0.149	C	C	.	.			trans	-109.9	107.6	175.2	-172.7	159.9	-175.5	-83.4	-2.7	113.5	V315 E329 G333 N335 V336	R313-V315 VanDerWaalsContact NH1-CG2 3.29Å; R313-E329 PolarHBondContact NH1-O 3.38Å; R313-E329 IonicContact NH2-OE2 2.75Å; R313-E329 PolarHBondContact NH2-OE2 3.01Å; R313-E329 VanDerWaalsContact NH2-OE2 3.09Å; R313-G333 WeakPolarHBondContact CD-O 3.3Å; R313-G333 WeakPolarHBondContact CG-O 3.49Å; R313-G333 PolarHBondContact NH1-O 3.32Å; R313-N335 PolarHBondContact N-OD1 2.87Å; R313-N335 PolarHBondContact O-N 3.43Å; R313-V336 PolarHBondContact O-N 2.88Å
314	P	96.6	Very high	93.7	Very high	10 Å²	10	24.6 Å²	24.6	7%	0.065	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	151.1	163.7	-19.5	33	0	0	0	113.2	Y300 A303 A307 V312 V336	Y300-P314 HydrophobicContact CD2-CB 3.87Å; Y300-P314 HydrophobicContact CE2-CB 4.01Å; A303-P314 HydrophobicContact CB-CB 3.96Å; A303-P314 HydrophobicContact CB-CG 3.82Å; A307-P314 HydrophobicContact CB-CG 4.1Å; V312-P314 WeakPolarHBondContact O-CD 3.27Å; P314-V336 CarbonylContact C-O 3.55Å; P314-V336 VanDerWaalsContact CA-O 3.28Å; P314-V336 WeakPolarHBondContact CA-O 3.31Å; P314-V336 HydrophobicContact CB-CB 4.31Å
315	V	97.2	Very high	93.7	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	143.9	171.7	-177.4	0	0	0	0	109.5	R313 E329 I330 C334 V336 C338	R313-V315 VanDerWaalsContact NH1-CG2 3.29Å; V315-E329 HydrophobicContact CG1-CB 4.2Å; V315-I330 HydrophobicContact CG1-CG1 4.02Å; V315-C334 HydrophobicContact CB-CB 4.45Å; V315-C334 HydrophobicContact CG2-CB 3.81Å; V315-V336 PolarHBondContact N-O 2.87Å; V315-C338 PolarHBondContact O-N 3.15Å
316	V	97.5	Very high	93.8	Very high	17 Å²	17	24.4 Å²	24.4	10%	0.103	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.1	177.3	76.6	0	0	0	0	113.2	I296 Y300 Y318 C338	I296-V316 HydrophobicContact CG1-CG2 4.31Å; I296-V316 HydrophobicContact CG2-CG2 4.09Å; Y300-V316 HydrophobicContact CD1-CB 3.64Å; Y300-V316 HydrophobicContact CD1-CG1 3.62Å; Y300-V316 HydrophobicContact CD1-CG2 4.35Å; Y300-V316 HydrophobicContact CD2-CB 4.04Å; Y300-V316 HydrophobicContact CE1-CB 4.14Å; Y300-V316 HydrophobicContact CE1-CG1 3.75Å; Y300-V316 HydrophobicContact CG-CB 3.57Å; Y300-V316 HydrophobicContact CG-CG1 4.1Å; Y300-V316 HydrophobicContact CG-CG2 4.2Å; V316-Y318 HydrophobicContact CB-CD1 4.47Å; V316-Y318 HydrophobicContact CG1-CD1 4.04Å; V316-Y318 HydrophobicContact CG1-CE1 3.72Å; V316-Y318 HydrophobicContact CG2-CD1 3.76Å; V316-Y318 HydrophobicContact CG2-CE1 4.13Å; V316-C338 CarbonylContact C-O 3.16Å; V316-C338 VanDerWaalsContact CA-O 3.27Å; V316-C338 WeakPolarHBondContact CA-O 3.45Å; V316-C338 HydrophobicContact CB-CB 4.48Å; V316-C338 HydrophobicContact CG2-CB 4.11Å; V316-C338 WeakPolarHBondContact CG2-O 3.28Å
317	V	97.4	Very high	93.9	Very high	0 Å²	0	26 Å²	26	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	101.8	-179.5	-61.5	0	0	0	0	112.1	Q326 I330 V337 C338 G339 T340 R343 L344 M347	V317-Q326 HydrophobicContact CG1-CB 4.49Å; V317-I330 HydrophobicContact CG1-CD1 3.97Å; V317-I330 HydrophobicContact CG1-CG1 4.26Å; V317-V337 HydrophobicContact CG1-CG2 4.35Å; V317-V337 HydrophobicContact CG2-CG2 3.73Å; V317-C338 PolarHBondContact N-O 2.92Å; V317-G339 WeakPolarHBondContact O-CA 3.47Å; V317-T340 PolarHBondContact O-N 3.47Å; V317-R343 HydrophobicContact CB-CG 4.16Å; V317-L344 HydrophobicContact CG2-CB 4.28Å; V317-L344 HydrophobicContact CG2-CD1 4.15Å; V317-M347 HydrophobicContact CB-CG 4.46Å; V317-M347 HydrophobicContact CG1-CG 4.26Å
318	Y	95.6	Very high	93.9	Very high	5 Å²	5	32.4 Å²	32.4	2%	0.02	20%	0.195	C	C	.	.			trans	-135.5	153.6	-179.5	61.5	-91.9	0	0	0	113.9	P166 R293 I296 N297 V316 V321 Q326 T340 R343 Q494 E498	P166-Y318 WeakPolarHBondContact CG-OH 3.03Å; R293-Y318 HydrophobicContact CB-CD2 3.74Å; R293-Y318 HydrophobicContact CB-CG 4.11Å; R293-Y318 HydrophobicContact CG-CD2 4.16Å; I296-Y318 HydrophobicContact CG2-CD1 4.41Å; N297-Y318 HydrophobicContact CB-CE1 4.19Å; V316-Y318 HydrophobicContact CB-CD1 4.47Å; V316-Y318 HydrophobicContact CG1-CD1 4.04Å; V316-Y318 HydrophobicContact CG1-CE1 3.72Å; V316-Y318 HydrophobicContact CG2-CD1 3.76Å; V316-Y318 HydrophobicContact CG2-CE1 4.13Å; Y318-V321 HydrophobicContact CD2-CG2 4.03Å; Y318-V321 HydrophobicContact CE2-CB 4.36Å; Y318-V321 HydrophobicContact CE2-CG2 3.36Å; Y318-Q326 PolarHBondContact O-NE2 3.35Å; Y318-Q326 PolarHBondContact O-OE1 3.16Å; Y318-T340 WeakPolarHBondContact CA-OG1 3.37Å; Y318-R343 PolarHBondContact O-NH1 2.85Å; Y318-R343 VanDerWaalsContact O-NH1 3.07Å; Y318-Q494 HydrophobicContact CE2-CG 4.15Å; Y318-E498 PolarHBondContact OH-OE1 3.32Å
319	G	91.8	Very high	94	Very high	15 Å²	15	31.2 Å²	31.2	16%	0.155	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	164.4	179.8	0	0	0	0	0	113.5	R293 V321	R293-G319 WeakPolarHBondContact CD-O 3.4Å; R293-G319 PolarHBondContact NE-O 2.85Å; G319-V321 PolarHBondContact O-N 2.92Å
320	G	88.4	Confident	94.3	Very high	17 Å²	17	27.8 Å²	27.8	18%	0.175	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	1.2	-177.9	0	0	0	0	0	115.2	V162 Q494	V162-G320 VanDerWaalsContact CG1-O 3.29Å; V162-G320 WeakPolarHBondContact CG1-O 3.22Å; G320-Q494 VanDerWaalsContact O-CB 3.29Å; G320-Q494 WeakPolarHBondContact O-CB 3.34Å
321	V	91.9	Very high	94.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-114.7	151	169.8	166.2	0	0	0	0	110.1	Y164 P166 Y318 G319 T323 Y325 Q326 R343 Q494	Y164-V321 HydrophobicContact CD1-CG2 4.06Å; Y164-V321 HydrophobicContact CE1-CG2 4.4Å; P166-V321 HydrophobicContact CG-CB 4.48Å; P166-V321 HydrophobicContact CG-CG1 4.08Å; P166-V321 HydrophobicContact CG-CG2 3.53Å; Y318-V321 HydrophobicContact CD2-CG2 4.03Å; Y318-V321 HydrophobicContact CE2-CB 4.36Å; Y318-V321 HydrophobicContact CE2-CG2 3.36Å; G319-V321 PolarHBondContact O-N 2.92Å; V321-T323 PolarHBondContact O-N 2.93Å; V321-Y325 HydrophobicContact CG1-CD1 3.79Å; V321-Y325 HydrophobicContact CG1-CE1 4.41Å; V321-Q326 HydrophobicContact CG1-CG 4.11Å; V321-R343 PolarHBondContact O-NH1 3.47Å; V321-R343 PolarHBondContact O-NH2 2.97Å; V321-R343 VanDerWaalsContact O-NH2 3.11Å; V321-Q494 HydrophobicContact CG2-CG 4.3Å
322	S	94.1	Very high	94.6	Very high	26 Å²	26	30.3 Å²	30.3	18%	0.182	16%	0.157	C	C	.	.			trans	-54.4	115.5	175.8	-175.4	0	0	0	0	112	V162 Y164 G324 Y325 Q326	V162-S322 WeakPolarHBondContact O-CA 3.49Å; V162-S322 WeakPolarHBondContact O-CB 3.48Å; Y164-S322 VanDerWaalsContact O-CB 3.32Å; Y164-S322 WeakPolarHBondContact O-CB 3.48Å; Y164-S322 PolarHBondContact O-N 3.45Å; S322-G324 PolarHBondContact O-N 3.01Å; S322-Y325 WeakPolarHBondContact O-CB 3.37Å; S322-Y325 PolarHBondContact O-N 3Å; S322-Q326 PolarHBondContact O-N 3.49Å
323	T	94.6	Very high	94.5	Very high	33 Å²	33	30.2 Å²	30.2	20%	0.202	16%	0.157	C	C	.	.	H	α-helix	trans	-56.3	-37.2	177.5	-52.2	0	0	0	0	111.5	V321 Y325 Q326 I327 R343 D346 M347	V321-T323 PolarHBondContact O-N 2.93Å; T323-Y325 VanDerWaalsContact C-N 3.31Å; T323-Y325 PolarHBondContact O-N 3.5Å; T323-Q326 PolarHBondContact O-N 2.99Å; T323-I327 HydrophobicContact CG2-CD1 3.98Å; T323-I327 HydrophobicContact CG2-CG1 4.46Å; T323-I327 WeakPolarHBondContact O-CG1 3.4Å; T323-I327 PolarHBondContact O-N 3.32Å; T323-R343 PolarHBondContact OG1-NH2 3.34Å; T323-D346 WeakPolarHBondContact CG2-OD2 3.4Å; T323-M347 HydrophobicContact CG2-CE 3.66Å
324	G	94.9	Very high	94.6	Very high	32 Å²	32	27.6 Å²	27.6	33%	0.33	15%	0.147	S	C	.	.	H	α-helix	trans	-67.1	-27.1	177.9	0	0	0	0	0	114.2	S322 R328	S322-G324 PolarHBondContact O-N 3.01Å; G324-R328 WeakPolarHBondContact O-CG 3.47Å; G324-R328 PolarHBondContact O-N 3.2Å; G324-R328 PolarHBondContact O-NH1 2.84Å; G324-R328 VanDerWaalsContact O-NH1 3.12Å
325	Y	95.1	Very high	94.5	Very high	53 Å²	53	27.3 Å²	27.3	21%	0.208	15%	0.146	C	C	.	.	H	α-helix	trans	-72.4	-50.6	170.6	164.8	-108.3	0	0	0	111	V165 P166 V321 S322 T323 I327 R328 E329	V165-Y325 HydrophobicContact CG1-CD1 4.19Å; V165-Y325 HydrophobicContact CG1-CD2 3.76Å; V165-Y325 HydrophobicContact CG1-CE1 4.39Å; V165-Y325 HydrophobicContact CG1-CE2 4Å; V165-Y325 HydrophobicContact CG1-CG 3.86Å; V165-Y325 HydrophobicContact CG2-CG 4.39Å; P166-Y325 HydrophobicContact CG-CE1 4.45Å; V321-Y325 HydrophobicContact CG1-CD1 3.79Å; V321-Y325 HydrophobicContact CG1-CE1 4.41Å; S322-Y325 WeakPolarHBondContact O-CB 3.37Å; S322-Y325 PolarHBondContact O-N 3Å; T323-Y325 VanDerWaalsContact C-N 3.31Å; T323-Y325 PolarHBondContact O-N 3.5Å; Y325-I327 VanDerWaalsContact C-N 3.31Å; Y325-I327 PolarHBondContact O-N 3.03Å; Y325-R328 WeakPolarHBondContact O-CB 3.41Å; Y325-R328 PolarHBondContact O-N 3.46Å; Y325-E329 HydrophobicContact CD2-CG 4.23Å; Y325-E329 HydrophobicContact CE1-CG 4.26Å; Y325-E329 HydrophobicContact CE2-CG 3.69Å; Y325-E329 PolarHBondContact O-N 2.84Å
326	Q	95.8	Very high	94.5	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.014	15%	0.145	C	C	.	.	H	α-helix	trans	-60.7	-36.8	178.7	-77.7	171.8	-0.8	0	0	112.8	V317 Y318 V321 S322 T323 R328 E329 I330 M347	V317-Q326 HydrophobicContact CG1-CB 4.49Å; Y318-Q326 PolarHBondContact O-NE2 3.35Å; Y318-Q326 PolarHBondContact O-OE1 3.16Å; V321-Q326 HydrophobicContact CG1-CG 4.11Å; S322-Q326 PolarHBondContact O-N 3.49Å; T323-Q326 PolarHBondContact O-N 2.99Å; Q326-R328 PolarHBondContact O-N 2.94Å; Q326-E329 PolarHBondContact O-N 2.9Å; Q326-I330 WeakPolarHBondContact O-CG1 3.25Å; Q326-I330 PolarHBondContact O-N 2.67Å; Q326-M347 HydrophobicContact CB-CE 3.63Å
327	I	96.1	Very high	94.5	Very high	34 Å²	34	26.5 Å²	26.5	17%	0.174	14%	0.14	C	C	.	.	H	α-helix	trans	-60.5	-43.3	172.5	-70.6	168.9	0	0	0	111.4	T323 Y325 E329 I330 L331 M347 K352	T323-I327 HydrophobicContact CG2-CD1 3.98Å; T323-I327 HydrophobicContact CG2-CG1 4.46Å; T323-I327 WeakPolarHBondContact O-CG1 3.4Å; T323-I327 PolarHBondContact O-N 3.32Å; Y325-I327 VanDerWaalsContact C-N 3.31Å; Y325-I327 PolarHBondContact O-N 3.03Å; I327-E329 VanDerWaalsContact C-N 3.32Å; I327-E329 PolarHBondContact O-N 3.23Å; I327-I330 PolarHBondContact O-N 2.7Å; I327-L331 HydrophobicContact CG2-CD1 3.87Å; I327-L331 HydrophobicContact CG2-CG 4.39Å; I327-L331 VanDerWaalsContact O-CG 3.28Å; I327-L331 WeakPolarHBondContact O-CG 3.36Å; I327-L331 PolarHBondContact O-N 2.74Å; I327-M347 HydrophobicContact CD1-SD 4.42Å; I327-M347 HydrophobicContact CG1-CE 4.06Å; I327-M347 HydrophobicContact CG1-SD 3.6Å; I327-K352 HydrophobicContact CG1-CG 4.4Å; I327-K352 HydrophobicContact CG2-CG 4.23Å
328	R	95.1	Very high	94.6	Very high	142 Å²	142	26.5 Å²	26.5	54%	0.536	14%	0.14	S	C	.	.	H	α-helix	trans	-64.3	-36.5	175.3	-71.1	-173.9	-58.2	-95.4	6.8	112.2	G324 Y325 Q326 L331 K332	G324-R328 WeakPolarHBondContact O-CG 3.47Å; G324-R328 PolarHBondContact O-N 3.2Å; G324-R328 PolarHBondContact O-NH1 2.84Å; G324-R328 VanDerWaalsContact O-NH1 3.12Å; Y325-R328 WeakPolarHBondContact O-CB 3.41Å; Y325-R328 PolarHBondContact O-N 3.46Å; Q326-R328 PolarHBondContact O-N 2.94Å; R328-L331 PolarHBondContact O-N 3.1Å; R328-K332 PolarHBondContact O-N 3.06Å
329	E	94.8	Very high	94.7	Very high	30 Å²	30	26.2 Å²	26.2	14%	0.14	14%	0.14	C	C	.	.	H	α-helix	trans	-70.1	-34.1	175.3	-65.4	-47.1	131.3	0	0	113.2	R313 V315 Y325 Q326 I327 K332	R313-E329 PolarHBondContact NH1-O 3.38Å; R313-E329 IonicContact NH2-OE2 2.75Å; R313-E329 PolarHBondContact NH2-OE2 3.01Å; R313-E329 VanDerWaalsContact NH2-OE2 3.09Å; V315-E329 HydrophobicContact CG1-CB 4.2Å; Y325-E329 HydrophobicContact CD2-CG 4.23Å; Y325-E329 HydrophobicContact CE1-CG 4.26Å; Y325-E329 HydrophobicContact CE2-CG 3.69Å; Y325-E329 PolarHBondContact O-N 2.84Å; Q326-E329 PolarHBondContact O-N 2.9Å; I327-E329 VanDerWaalsContact C-N 3.32Å; I327-E329 PolarHBondContact O-N 3.23Å; E329-K332 WeakPolarHBondContact OE1-CE 3.44Å; E329-K332 IonicContact OE1-NZ 3.87Å; E329-K332 PolarHBondContact OE1-NZ 3.44Å; E329-K332 WeakPolarHBondContact OE2-CD 3.4Å; E329-K332 WeakPolarHBondContact OE2-CE 3.17Å; E329-K332 IonicContact OE2-NZ 2.7Å; E329-K332 PolarHBondContact OE2-NZ 3Å
330	I	95.6	Very high	94.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.5	-50.7	170.7	-67	161	0	0	0	110	Q282 V315 V317 Q326 I327 K332 G333 C334 M347 V353	Q282-I330 HydrophobicContact CB-CG2 3.79Å; Q282-I330 HydrophobicContact CG-CG2 3.57Å; Q282-I330 VanDerWaalsContact CG-O 3.31Å; Q282-I330 WeakPolarHBondContact CG-O 3.32Å; V315-I330 HydrophobicContact CG1-CG1 4.02Å; V317-I330 HydrophobicContact CG1-CD1 3.97Å; V317-I330 HydrophobicContact CG1-CG1 4.26Å; Q326-I330 WeakPolarHBondContact O-CG1 3.25Å; Q326-I330 PolarHBondContact O-N 2.67Å; I327-I330 PolarHBondContact O-N 2.7Å; I330-K332 PolarHBondContact O-N 2.82Å; I330-G333 CarbonylContact O-C 3.49Å; I330-G333 PolarHBondContact O-N 3.36Å; I330-C334 HydrophobicContact CG2-CB 4.47Å; I330-M347 HydrophobicContact CD1-CB 4.21Å; I330-M347 HydrophobicContact CD1-CG 3.84Å; I330-M347 HydrophobicContact CD1-SD 3.53Å; I330-M347 VanDerWaalsContact CD1-SD 3.53Å; I330-V353 HydrophobicContact CD1-CG2 4.13Å; I330-V353 HydrophobicContact CG2-CG2 4.35Å
331	L	93.9	Very high	95.2	Very high	56 Å²	56	25.4 Å²	25.4	29%	0.293	13%	0.128	S	C	.	.	H	α-helix	trans	-62	-15.9	-174	-70	171.2	0	0	0	114.8	E280 I327 R328 G333	E280-L331 WeakPolarHBondContact O-CD2 3.35Å; I327-L331 HydrophobicContact CG2-CD1 3.87Å; I327-L331 HydrophobicContact CG2-CG 4.39Å; I327-L331 VanDerWaalsContact O-CG 3.28Å; I327-L331 WeakPolarHBondContact O-CG 3.36Å; I327-L331 PolarHBondContact O-N 2.74Å; R328-L331 PolarHBondContact O-N 3.1Å; L331-G333 PolarHBondContact O-N 3.16Å
332	K	92.2	Very high	95.3	Very high	98 Å²	98	27.1 Å²	27.1	43%	0.426	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	6.4	170.4	-67.4	176.5	-165.8	170	0	114.4	R277 R328 E329 I330	R277-K332 WeakPolarHBondContact CG-O 3.46Å; R277-K332 PolarHBondContact NE-O 3.34Å; R328-K332 PolarHBondContact O-N 3.06Å; E329-K332 WeakPolarHBondContact OE1-CE 3.44Å; E329-K332 IonicContact OE1-NZ 3.87Å; E329-K332 PolarHBondContact OE1-NZ 3.44Å; E329-K332 WeakPolarHBondContact OE2-CD 3.4Å; E329-K332 WeakPolarHBondContact OE2-CE 3.17Å; E329-K332 IonicContact OE2-NZ 2.7Å; E329-K332 PolarHBondContact OE2-NZ 3Å; I330-K332 PolarHBondContact O-N 2.82Å
333	G	92.3	Very high	95.4	Very high	6 Å²	6	27.3 Å²	27.3	6%	0.062	14%	0.142	C	C	.	.			trans	99.3	130.5	-174.7	0	0	0	0	0	111.2	R313 I330 L331	R313-G333 WeakPolarHBondContact CD-O 3.3Å; R313-G333 WeakPolarHBondContact CG-O 3.49Å; R313-G333 PolarHBondContact NH1-O 3.32Å; I330-G333 CarbonylContact O-C 3.49Å; I330-G333 PolarHBondContact O-N 3.36Å; L331-G333 PolarHBondContact O-N 3.16Å
334	C	94.8	Very high	95.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.			trans	-138.6	116.3	-179.4	-175.6	0	0	0	0	110.7	Q282 P284 V315 I330	Q282-C334 HydrophobicContact CB-CB 3.94Å; Q282-C334 HydrophobicContact CG-CB 4.15Å; P284-C334 WeakPolarHBondContact CA-O 3.4Å; V315-C334 HydrophobicContact CB-CB 4.45Å; V315-C334 HydrophobicContact CG2-CB 3.81Å; I330-C334 HydrophobicContact CG2-CB 4.47Å
335	N	95.3	Very high	95.6	Very high	5 Å²	5	25 Å²	25	3%	0.027	12%	0.121	C	C	.	.	S	Bend	trans	-101.7	-39.3	173.8	-63	105.9	0	0	0	112.3	V273 A275 P284 E285 A286 V312 R313	V273-N335 WeakPolarHBondContact CB-ND2 3.42Å; A275-N335 VanDerWaalsContact CB-ND2 3.29Å; A275-N335 WeakPolarHBondContact CB-ND2 3.47Å; P284-N335 CarbonylContact C-O 3.52Å; P284-N335 WeakPolarHBondContact CA-O 3.23Å; P284-N335 VanDerWaalsContact CB-O 3.25Å; P284-N335 WeakPolarHBondContact CB-O 3.5Å; E285-N335 PolarHBondContact N-O 2.78Å; E285-N335 PolarHBondContact OE1-ND2 3.2Å; E285-N335 VanDerWaalsContact OE1-ND2 3.14Å; E285-N335 WeakPolarHBondContact OE2-CA 3.36Å; E285-N335 WeakPolarHBondContact OE2-CB 3.27Å; E285-N335 PolarHBondContact OE2-ND2 2.79Å; A286-N335 PolarHBondContact N-O 3.46Å; V312-N335 HydrophobicContact CG1-CB 3.76Å; R313-N335 PolarHBondContact N-OD1 2.87Å; R313-N335 PolarHBondContact O-N 3.43Å
336	V	97.6	Very high	95.6	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	109	-179.3	-173.8	0	0	0	0	108	L265 L268 A286 I288 V312 R313 P314 V315	L265-V336 HydrophobicContact CD2-CG2 4.41Å; L268-V336 HydrophobicContact CD1-CG2 3.7Å; A286-V336 HydrophobicContact CB-CB 4.47Å; A286-V336 HydrophobicContact CB-CG1 4.17Å; A286-V336 HydrophobicContact CB-CG2 4.19Å; A286-V336 WeakPolarHBondContact O-CA 3.35Å; I288-V336 HydrophobicContact CD1-CG1 3.52Å; I288-V336 HydrophobicContact CG1-CG1 4.24Å; V312-V336 HydrophobicContact CG1-CG2 3.79Å; R313-V336 PolarHBondContact O-N 2.88Å; P314-V336 CarbonylContact C-O 3.55Å; P314-V336 VanDerWaalsContact CA-O 3.28Å; P314-V336 WeakPolarHBondContact CA-O 3.31Å; P314-V336 HydrophobicContact CB-CB 4.31Å; V315-V336 PolarHBondContact N-O 2.87Å
337	V	97.9	Very high	95.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	117.2	175.1	66	0	0	0	0	110.3	P284 A286 V287 I288 V317 L344	P284-V337 HydrophobicContact CB-CB 4.37Å; P284-V337 HydrophobicContact CB-CG1 4.14Å; P284-V337 HydrophobicContact CG-CB 4.19Å; P284-V337 HydrophobicContact CG-CG1 3.66Å; A286-V337 PolarHBondContact O-N 3.32Å; V287-V337 HydrophobicContact CB-CG1 4.22Å; V287-V337 HydrophobicContact CG1-CG1 4.33Å; V287-V337 HydrophobicContact CG2-CG1 3.71Å; I288-V337 PolarHBondContact N-O 3.47Å; V317-V337 HydrophobicContact CG1-CG2 4.35Å; V317-V337 HydrophobicContact CG2-CG2 3.73Å; V337-L344 HydrophobicContact CG1-CD1 4.08Å; V337-L344 HydrophobicContact CG2-CD1 3.93Å
338	C	98.4	Very high	95.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	105.8	174.5	-59.5	0	0	0	0	108.1	I288 I296 V315 V316 V317	I288-C338 CarbonylContact O-C 3.52Å; I288-C338 WeakPolarHBondContact O-CA 3.28Å; I296-C338 HydrophobicContact CD1-CB 3.68Å; I296-C338 HydrophobicContact CG1-CB 3.76Å; V315-C338 PolarHBondContact O-N 3.15Å; V316-C338 CarbonylContact C-O 3.16Å; V316-C338 VanDerWaalsContact CA-O 3.27Å; V316-C338 WeakPolarHBondContact CA-O 3.45Å; V316-C338 HydrophobicContact CB-CB 4.48Å; V316-C338 HydrophobicContact CG2-CB 4.11Å; V316-C338 WeakPolarHBondContact CG2-O 3.28Å; V317-C338 PolarHBondContact N-O 2.92Å
339	G	97.4	Very high	95.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.4	-172.2	0	0	0	0	0	116.2	I288 V289 A290 I296 V317	I288-G339 PolarHBondContact O-N 3.02Å; V289-G339 WeakPolarHBondContact CA-O 3.12Å; V289-G339 WeakPolarHBondContact CG1-O 3.25Å; A290-G339 PolarHBondContact N-O 2.89Å; I296-G339 VanDerWaalsContact CG1-N 3.34Å; V317-G339 WeakPolarHBondContact O-CA 3.47Å
340	T	96	Very high	95.8	Very high	14 Å²	14	25.7 Å²	25.7	9%	0.086	15%	0.147	C	C	.	.			trans	-77.6	139.8	156	56.8	0	0	0	0	109	R293 I296 V317 Y318 G342 R343 L344	R293-T340 HydrophobicContact CG-CG2 4.21Å; I296-T340 HydrophobicContact CG2-CG2 3.81Å; V317-T340 PolarHBondContact O-N 3.47Å; Y318-T340 WeakPolarHBondContact CA-OG1 3.37Å; T340-G342 PolarHBondContact O-N 3.33Å; T340-R343 PolarHBondContact O-N 3.23Å; T340-R343 VanDerWaalsContact O-N 3.09Å; T340-L344 PolarHBondContact O-N 3.29Å
341	P	94.7	Very high	95.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-46.2	-58.4	-168.6	-28.7	31.4	0	0	0	114.8	V289 R343 L344 L345 M369 F374 D377 M378	V289-P341 HydrophobicContact CG1-CG 3.7Å; P341-R343 PolarHBondContact O-N 3.01Å; P341-L344 PolarHBondContact O-N 2.81Å; P341-L345 WeakPolarHBondContact O-CG 3.39Å; P341-L345 PolarHBondContact O-N 3.26Å; P341-M369 HydrophobicContact CG-SD 4.38Å; P341-F374 HydrophobicContact CB-CD1 4.31Å; P341-F374 HydrophobicContact CB-CG 4.49Å; P341-F374 HydrophobicContact CG-CB 4.14Å; P341-F374 HydrophobicContact CG-CD1 4.24Å; P341-F374 HydrophobicContact CG-CD2 4.29Å; P341-F374 HydrophobicContact CG-CG 4Å; P341-D377 HydrophobicContact CB-CB 3.88Å; P341-M378 HydrophobicContact CB-SD 4.13Å; P341-M378 HydrophobicContact CG-SD 3.76Å
342	G	94.6	Very high	95.8	Very high	36 Å²	36	26.7 Å²	26.7	37%	0.371	16%	0.159	S	C	.	.	H	α-helix	trans	-61.9	-34.1	-176.7	0	0	0	0	0	115.1	T340 D346	T340-G342 PolarHBondContact O-N 3.33Å; G342-D346 WeakPolarHBondContact O-CB 3.23Å; G342-D346 PolarHBondContact O-N 2.98Å
343	R	95.9	Very high	96	Very high	30 Å²	30	22.1 Å²	22.1	11%	0.113	14%	0.139	C	C	.	.	H	α-helix	trans	-80.6	-28.9	177.2	-179.5	57	67.3	90.8	-9.6	112.3	V317 Y318 V321 T323 T340 P341 D346 M347	V317-R343 HydrophobicContact CB-CG 4.16Å; Y318-R343 PolarHBondContact O-NH1 2.85Å; Y318-R343 VanDerWaalsContact O-NH1 3.07Å; V321-R343 PolarHBondContact O-NH1 3.47Å; V321-R343 PolarHBondContact O-NH2 2.97Å; V321-R343 VanDerWaalsContact O-NH2 3.11Å; T323-R343 PolarHBondContact OG1-NH2 3.34Å; T340-R343 PolarHBondContact O-N 3.23Å; T340-R343 VanDerWaalsContact O-N 3.09Å; P341-R343 PolarHBondContact O-N 3.01Å; R343-D346 IonicContact NE-OD2 3.05Å; R343-D346 PolarHBondContact O-N 3.23Å; R343-M347 WeakPolarHBondContact O-CG 3.44Å; R343-M347 PolarHBondContact O-N 2.71Å
344	L	97.1	Very high	96.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.3	-44.9	170	-179.9	57.8	0	0	0	110.6	V287 V289 V317 V337 T340 P341 D346 M347 I348 L381	V287-L344 HydrophobicContact CG1-CD2 3.66Å; V289-L344 HydrophobicContact CG2-CD2 4.21Å; V317-L344 HydrophobicContact CG2-CB 4.28Å; V317-L344 HydrophobicContact CG2-CD1 4.15Å; V337-L344 HydrophobicContact CG1-CD1 4.08Å; V337-L344 HydrophobicContact CG2-CD1 3.93Å; T340-L344 PolarHBondContact O-N 3.29Å; P341-L344 PolarHBondContact O-N 2.81Å; L344-D346 VanDerWaalsContact C-N 3.33Å; L344-D346 PolarHBondContact O-N 3.39Å; L344-M347 PolarHBondContact O-N 3.03Å; L344-M347 VanDerWaalsContact O-N 3.12Å; L344-I348 HydrophobicContact CD1-CD1 4.3Å; L344-I348 HydrophobicContact CG-CD1 4.01Å; L344-I348 WeakPolarHBondContact O-CG1 3.32Å; L344-I348 PolarHBondContact O-N 3.24Å; L344-L381 HydrophobicContact CD2-CD1 3.82Å; L344-L381 HydrophobicContact CD2-CD2 3.81Å; L344-L381 HydrophobicContact CD2-CG 4.5Å; L344-L381 HydrophobicContact CG-CD1 4.14Å
345	L	96.9	Very high	96.3	Very high	17 Å²	17	26.7 Å²	26.7	9%	0.089	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-36.7	174.4	-69.4	168.9	0	0	0	112.8	P341 I348 G349 D377 R380 L381	P341-L345 WeakPolarHBondContact O-CG 3.39Å; P341-L345 PolarHBondContact O-N 3.26Å; L345-I348 HydrophobicContact CD2-CD1 4.49Å; L345-I348 PolarHBondContact O-N 2.85Å; L345-G349 PolarHBondContact O-N 2.85Å; L345-D377 HydrophobicContact CD1-CB 3.74Å; L345-R380 HydrophobicContact CD1-CB 4.32Å; L345-R380 HydrophobicContact CD2-CB 4.34Å; L345-L381 HydrophobicContact CD2-CB 4.19Å; L345-L381 HydrophobicContact CD2-CD1 4.3Å
346	D	96.2	Very high	96.2	Very high	42 Å²	42	29.6 Å²	29.6	23%	0.225	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-42	171.2	179.2	50.6	0	0	0	112.2	T323 G342 R343 L344 R350	T323-D346 WeakPolarHBondContact CG2-OD2 3.4Å; G342-D346 WeakPolarHBondContact O-CB 3.23Å; G342-D346 PolarHBondContact O-N 2.98Å; R343-D346 IonicContact NE-OD2 3.05Å; R343-D346 PolarHBondContact O-N 3.23Å; L344-D346 VanDerWaalsContact C-N 3.33Å; L344-D346 PolarHBondContact O-N 3.39Å; D346-R350 VanDerWaalsContact CG-NE 3.31Å; D346-R350 WeakPolarHBondContact O-CB 3.28Å; D346-R350 WeakPolarHBondContact O-CG 3.17Å; D346-R350 PolarHBondContact O-N 2.92Å; D346-R350 IonicContact OD1-CZ 3.27Å; D346-R350 IonicContact OD1-NE 3.5Å; D346-R350 PolarHBondContact OD1-NE 3.28Å; D346-R350 IonicContact OD1-NH2 2.63Å; D346-R350 PolarHBondContact OD1-NH2 2.93Å; D346-R350 IonicContact OD2-CZ 2.77Å; D346-R350 IonicContact OD2-NE 2.75Å; D346-R350 PolarHBondContact OD2-NE 2.92Å; D346-R350 IonicContact OD2-NH2 3.3Å
347	M	96.8	Very high	96.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-71.4	-32.1	177.8	-65.5	-66.3	166.5	0	0	113.3	V317 T323 Q326 I327 I330 R343 L344 K352 V353	V317-M347 HydrophobicContact CB-CG 4.46Å; V317-M347 HydrophobicContact CG1-CG 4.26Å; T323-M347 HydrophobicContact CG2-CE 3.66Å; Q326-M347 HydrophobicContact CB-CE 3.63Å; I327-M347 HydrophobicContact CD1-SD 4.42Å; I327-M347 HydrophobicContact CG1-CE 4.06Å; I327-M347 HydrophobicContact CG1-SD 3.6Å; I330-M347 HydrophobicContact CD1-CB 4.21Å; I330-M347 HydrophobicContact CD1-CG 3.84Å; I330-M347 HydrophobicContact CD1-SD 3.53Å; I330-M347 VanDerWaalsContact CD1-SD 3.53Å; R343-M347 WeakPolarHBondContact O-CG 3.44Å; R343-M347 PolarHBondContact O-N 2.71Å; L344-M347 PolarHBondContact O-N 3.03Å; L344-M347 VanDerWaalsContact O-N 3.12Å; M347-K352 PolarHBondContact O-N 3.18Å; M347-V353 HydrophobicContact CB-CG2 4.03Å; M347-V353 PolarHBondContact O-N 2.83Å; M347-V353 VanDerWaalsContact O-N 3.15Å
348	I	96.4	Very high	96.1	Very high	26 Å²	26	33.5 Å²	33.5	13%	0.133	19%	0.192	C	C	.	.	H	α-helix	trans	-70	-48.7	172.9	-65.3	159.6	0	0	0	110.1	L344 L345 R350 G351 V353 L355 L381	L344-I348 HydrophobicContact CD1-CD1 4.3Å; L344-I348 HydrophobicContact CG-CD1 4.01Å; L344-I348 WeakPolarHBondContact O-CG1 3.32Å; L344-I348 PolarHBondContact O-N 3.24Å; L345-I348 HydrophobicContact CD2-CD1 4.49Å; L345-I348 PolarHBondContact O-N 2.85Å; I348-R350 PolarHBondContact O-N 2.84Å; I348-G351 WeakPolarHBondContact O-CA 3.45Å; I348-G351 PolarHBondContact O-N 2.92Å; I348-V353 WeakPolarHBondContact CA-O 3.31Å; I348-V353 HydrophobicContact CG1-CB 4.12Å; I348-V353 HydrophobicContact CG1-CG1 4.15Å; I348-L355 HydrophobicContact CD1-CD1 4.01Å; I348-L355 HydrophobicContact CD1-CD2 4.08Å; I348-L355 HydrophobicContact CD1-CG 4.26Å; I348-L355 HydrophobicContact CG1-CD2 4.43Å; I348-L381 HydrophobicContact CD1-CD1 3.55Å
349	G	95.8	Very high	96	Very high	73 Å²	73	37 Å²	37	75%	0.753	21%	0.205	S	C	*	.	H	α-helix	trans	-62.3	-28.2	178.6	0	0	0	0	0	113.9	L345 G351	L345-G349 PolarHBondContact O-N 2.85Å; G349-G351 VanDerWaalsContact C-N 3.27Å; G349-G351 PolarHBondContact O-N 3.01Å
350	R	95.3	Very high	96.1	Very high	136 Å²	136	37.8 Å²	37.8	51%	0.513	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	0.5	171.2	-68.5	173.1	-164.1	-74.6	-15	114.3	D346 I348 K352	D346-R350 VanDerWaalsContact CG-NE 3.31Å; D346-R350 WeakPolarHBondContact O-CB 3.28Å; D346-R350 WeakPolarHBondContact O-CG 3.17Å; D346-R350 PolarHBondContact O-N 2.92Å; D346-R350 IonicContact OD1-CZ 3.27Å; D346-R350 IonicContact OD1-NE 3.5Å; D346-R350 PolarHBondContact OD1-NE 3.28Å; D346-R350 IonicContact OD1-NH2 2.63Å; D346-R350 PolarHBondContact OD1-NH2 2.93Å; D346-R350 IonicContact OD2-CZ 2.77Å; D346-R350 IonicContact OD2-NE 2.75Å; D346-R350 PolarHBondContact OD2-NE 2.92Å; D346-R350 IonicContact OD2-NH2 3.3Å; I348-R350 PolarHBondContact O-N 2.84Å; R350-K352 HydrophobicContact CB-CG 4.31Å; R350-K352 PolarHBondContact O-N 2.91Å
351	G	94.8	Very high	96.2	Very high	32 Å²	32	37.1 Å²	37.1	33%	0.33	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	23.7	-177.5	0	0	0	0	0	114.3	T281 I348 G349	T281-G351 WeakPolarHBondContact CB-O 3.32Å; T281-G351 WeakPolarHBondContact CG2-O 3.48Å; T281-G351 PolarHBondContact OG1-O 2.82Å; I348-G351 WeakPolarHBondContact O-CA 3.45Å; I348-G351 PolarHBondContact O-N 2.92Å; G349-G351 VanDerWaalsContact C-N 3.27Å; G349-G351 PolarHBondContact O-N 3.01Å
352	K	95.9	Very high	96.4	Very high	45 Å²	45	37.1 Å²	37.1	20%	0.196	20%	0.204	C	C	.	.	S	Bend	trans	-98	-19.5	179.5	-62	-51.2	-178.1	-170.8	0	113.2	E280 Q282 I327 M347 R350	E280-K352 WeakPolarHBondContact O-CD 3.49Å; E280-K352 PolarHBondContact O-NZ 2.95Å; E280-K352 IonicContact OE2-NZ 3.34Å; E280-K352 PolarHBondContact OE2-NZ 2.87Å; Q282-K352 PolarHBondContact N-O 3.01Å; I327-K352 HydrophobicContact CG1-CG 4.4Å; I327-K352 HydrophobicContact CG2-CG 4.23Å; M347-K352 PolarHBondContact O-N 3.18Å; R350-K352 HydrophobicContact CB-CG 4.31Å; R350-K352 PolarHBondContact O-N 2.91Å
353	V	96.6	Very high	96.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-120.1	133.1	162.4	176	0	0	0	0	109.1	Q282 P284 I330 M347 I348 L355	Q282-V353 CarbonylContact O-C 3.56Å; Q282-V353 WeakPolarHBondContact O-CA 3.33Å; P284-V353 HydrophobicContact CG-CG1 4.04Å; I330-V353 HydrophobicContact CD1-CG2 4.13Å; I330-V353 HydrophobicContact CG2-CG2 4.35Å; M347-V353 HydrophobicContact CB-CG2 4.03Å; M347-V353 PolarHBondContact O-N 2.83Å; M347-V353 VanDerWaalsContact O-N 3.15Å; I348-V353 WeakPolarHBondContact CA-O 3.31Å; I348-V353 HydrophobicContact CG1-CB 4.12Å; I348-V353 HydrophobicContact CG1-CG1 4.15Å; V353-L355 HydrophobicContact CG1-CD2 4.11Å
354	R	95.6	Very high	96.4	Very high	101 Å²	101	34.3 Å²	34.3	38%	0.381	18%	0.183	S	C	.	.			trans	-115.7	147	164.2	-86.1	-174	-48.9	-103.7	3.5	109.2	T281 Q282 E283	T281-R354 VanDerWaalsContact CB-NH1 3.29Å; T281-R354 HydrophobicContact CG2-CB 4.05Å; T281-R354 HydrophobicContact CG2-CG 3.77Å; T281-R354 PolarHBondContact OG1-NH1 3.16Å; Q282-R354 PolarHBondContact O-N 3.44Å; E283-R354 WeakPolarHBondContact CA-O 3.36Å; E283-R354 HydrophobicContact CG-CB 3.77Å; E283-R354 IonicContact OE1-CZ 3.43Å; E283-R354 IonicContact OE1-NE 2.69Å; E283-R354 PolarHBondContact OE1-NE 2.71Å; E283-R354 IonicContact OE1-NH2 3.69Å; E283-R354 PolarHBondContact OE1-NH2 3.3Å
355	L	96.3	Very high	96	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.185	C	C	.	.			trans	-95.1	0.8	-174.5	-55.7	178	0	0	0	113.8	V287 I348 V353 K357 V358 L381 G386 M387 P388	V287-L355 HydrophobicContact CG2-CD2 4.07Å; I348-L355 HydrophobicContact CD1-CD1 4.01Å; I348-L355 HydrophobicContact CD1-CD2 4.08Å; I348-L355 HydrophobicContact CD1-CG 4.26Å; I348-L355 HydrophobicContact CG1-CD2 4.43Å; V353-L355 HydrophobicContact CG1-CD2 4.11Å; L355-K357 PolarHBondContact O-N 3.19Å; L355-V358 HydrophobicContact CB-CG2 3.98Å; L355-V358 HydrophobicContact CD2-CG2 3.97Å; L355-V358 WeakPolarHBondContact O-CB 3.45Å; L355-V358 VanDerWaalsContact O-CG2 3.25Å; L355-V358 WeakPolarHBondContact O-CG2 3.38Å; L355-V358 PolarHBondContact O-N 2.9Å; L355-L381 HydrophobicContact CD1-CD1 4.16Å; L355-G386 CarbonylContact C-O 3.59Å; L355-M387 HydrophobicContact CB-CB 4.26Å; L355-M387 HydrophobicContact CB-SD 4.37Å; L355-M387 HydrophobicContact CD1-CB 3.96Å; L355-M387 HydrophobicContact CD1-CE 3.93Å; L355-M387 HydrophobicContact CD1-SD 4.17Å; L355-P388 WeakPolarHBondContact O-CD 3.43Å
356	S	95	Very high	95.6	Very high	67 Å²	67	33.9 Å²	33.9	47%	0.469	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-11.9	-171.1	-43.9	0	0	0	0	116.7	G386	S356-G386 VanDerWaalsContact CA-O 3.23Å; S356-G386 WeakPolarHBondContact CA-O 3.31Å; S356-G386 PolarHBondContact N-O 2.62Å
357	K	94.9	Very high	95	Very high	81 Å²	81	32 Å²	32	35%	0.352	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	7.3	177.7	-67	-177.4	178.8	142.1	0	113.5	A274 E283 E285 L355 R359	A274-K357 HydrophobicContact CB-CD 4.13Å; E283-K357 HydrophobicContact CB-CB 4.2Å; E283-K357 HydrophobicContact CB-CD 3.81Å; E283-K357 HydrophobicContact CB-CG 4.08Å; E283-K357 VanDerWaalsContact OE2-CE 3.25Å; E283-K357 WeakPolarHBondContact OE2-CE 3.43Å; E283-K357 IonicContact OE2-NZ 2.64Å; E283-K357 PolarHBondContact OE2-NZ 2.81Å; E285-K357 WeakPolarHBondContact CA-O 3.45Å; L355-K357 PolarHBondContact O-N 3.19Å; K357-R359 WeakPolarHBondContact O-CG 3.39Å; K357-R359 PolarHBondContact O-N 2.84Å
358	V	97.1	Very high	94.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.171	C	C	.	.			trans	-68.1	106.7	-175.8	174.7	0	0	0	0	110.4	P284 V287 L355 Y360 M387 P388	P284-V358 VanDerWaalsContact O-CG2 3.32Å; P284-V358 WeakPolarHBondContact O-CG2 3.46Å; V287-V358 HydrophobicContact CB-CG1 4.34Å; V287-V358 HydrophobicContact CG2-CB 4.45Å; V287-V358 HydrophobicContact CG2-CG1 3.94Å; V287-V358 HydrophobicContact CG2-CG2 3.56Å; L355-V358 HydrophobicContact CB-CG2 3.98Å; L355-V358 HydrophobicContact CD2-CG2 3.97Å; L355-V358 WeakPolarHBondContact O-CB 3.45Å; L355-V358 VanDerWaalsContact O-CG2 3.25Å; L355-V358 WeakPolarHBondContact O-CG2 3.38Å; L355-V358 PolarHBondContact O-N 2.9Å; V358-Y360 WeakPolarHBondContact CG1-O 3.36Å; V358-M387 HydrophobicContact CB-SD 4.31Å; V358-M387 HydrophobicContact CG1-SD 4.09Å; V358-P388 WeakPolarHBondContact O-CG 3.34Å
359	R	97.1	Very high	93.7	Very high	75 Å²	75	30.9 Å²	30.9	28%	0.283	16%	0.164	S	C	.	.			trans	-90.5	-30.2	174.7	-60.3	-169.3	-76.3	156.5	-11	111.6	D271 E285 K357 Q394	D271-R359 IonicContact OD2-CZ 2.9Å; D271-R359 IonicContact OD2-NH1 2.64Å; D271-R359 PolarHBondContact OD2-NH1 3.25Å; D271-R359 IonicContact OD2-NH2 3.65Å; E285-R359 PolarHBondContact O-N 2.63Å; K357-R359 WeakPolarHBondContact O-CG 3.39Å; K357-R359 PolarHBondContact O-N 2.84Å; R359-Q394 PolarHBondContact O-N 3.09Å
360	Y	98.4	Very high	93	Very high	16 Å²	16	28.8 Å²	28.8	6%	0.063	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.6	-179.4	-60.3	-84	0	0	0	111.8	I264 Q267 L268 E285 A286 V287 V358 Q394	I264-Y360 HydrophobicContact CD1-CD1 4.09Å; I264-Y360 HydrophobicContact CD1-CG 4.19Å; I264-Y360 HydrophobicContact CG1-CD1 3.64Å; I264-Y360 HydrophobicContact CG1-CD2 4.49Å; I264-Y360 HydrophobicContact CG1-CE1 3.97Å; I264-Y360 HydrophobicContact CG1-CG 3.93Å; I264-Y360 HydrophobicContact CG2-CD2 3.95Å; I264-Y360 HydrophobicContact CG2-CE2 4.35Å; I264-Y360 HydrophobicContact CG2-CG 4.08Å; Q267-Y360 VanDerWaalsContact CB-OH 3.27Å; Q267-Y360 WeakPolarHBondContact CB-OH 3.39Å; Q267-Y360 VanDerWaalsContact CG-OH 3.23Å; Q267-Y360 WeakPolarHBondContact CG-OH 3.27Å; L268-Y360 HydrophobicContact CD2-CD2 4.32Å; L268-Y360 HydrophobicContact CD2-CE2 4.14Å; E285-Y360 PolarHBondContact O-N 2.91Å; E285-Y360 VanDerWaalsContact O-N 3.12Å; A286-Y360 WeakPolarHBondContact CA-O 3.39Å; A286-Y360 HydrophobicContact CB-CD2 4.38Å; V287-Y360 PolarHBondContact N-O 3.02Å; V358-Y360 WeakPolarHBondContact CG1-O 3.36Å; Y360-Q394 WeakPolarHBondContact CA-O 3.33Å; Y360-Q394 HydrophobicContact CD1-CB 4.19Å; Y360-Q394 HydrophobicContact CE1-CB 4.32Å
361	L	98.4	Very high	92.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.9	168.2	175.6	61.9	0	0	0	109.2	V287 V289 L363 V382 M387 Q394 T395 L396	V287-L361 HydrophobicContact CB-CD1 4.15Å; V287-L361 HydrophobicContact CG1-CD1 3.92Å; V287-L361 WeakPolarHBondContact O-CA 3.28Å; V289-L361 HydrophobicContact CG2-CD1 4.42Å; L361-L363 HydrophobicContact CD1-CD1 4.14Å; L361-L363 HydrophobicContact CD2-CD1 4.25Å; L361-L363 HydrophobicContact CG-CD1 3.78Å; L361-V382 HydrophobicContact CD2-CG2 3.88Å; L361-M387 HydrophobicContact CD1-CE 4.19Å; L361-M387 HydrophobicContact CD2-CE 4.05Å; L361-Q394 PolarHBondContact N-O 3.06Å; L361-T395 HydrophobicContact CB-CG2 4.28Å; L361-T395 HydrophobicContact CD2-CG2 4.09Å; L361-T395 HydrophobicContact CG-CG2 4.23Å; L361-T395 WeakPolarHBondContact O-CA 3.38Å; L361-L396 PolarHBondContact O-N 2.79Å
362	V	98.4	Very high	91.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.8	-178.7	-169.4	0	0	0	0	110.5	F260 I264 V287 I288 V289 L396 F398	F260-V362 HydrophobicContact CD1-CG1 4Å; F260-V362 HydrophobicContact CD2-CG1 3.94Å; F260-V362 HydrophobicContact CD2-CG2 4.4Å; F260-V362 HydrophobicContact CE1-CG1 4.04Å; F260-V362 HydrophobicContact CE2-CG1 4.02Å; F260-V362 HydrophobicContact CG-CG1 3.94Å; F260-V362 HydrophobicContact CZ-CG1 4.06Å; I264-V362 HydrophobicContact CD1-CG2 3.63Å; V287-V362 PolarHBondContact O-N 2.67Å; I288-V362 HydrophobicContact CB-CB 4.31Å; I288-V362 HydrophobicContact CG1-CB 4.02Å; I288-V362 HydrophobicContact CG1-CG2 4.04Å; I288-V362 HydrophobicContact CG2-CB 4.1Å; I288-V362 HydrophobicContact CG2-CG1 4.32Å; V289-V362 PolarHBondContact N-O 3.31Å; V362-L396 CarbonylContact C-O 3.47Å; V362-L396 WeakPolarHBondContact CA-O 3.32Å; V362-L396 HydrophobicContact CG1-CB 4.4Å; V362-L396 HydrophobicContact CG2-CB 4.38Å; V362-L396 HydrophobicContact CG2-CD1 4.14Å; V362-F398 HydrophobicContact CG1-CD2 4.16Å; V362-F398 HydrophobicContact CG1-CE2 4.39Å
363	L	97	Very high	90.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112.9	173.6	-75.5	71.9	0	0	0	108.2	L361 A366 M369 M378 L396 M397 F398 M409 F413	L361-L363 HydrophobicContact CD1-CD1 4.14Å; L361-L363 HydrophobicContact CD2-CD1 4.25Å; L361-L363 HydrophobicContact CG-CD1 3.78Å; L363-A366 HydrophobicContact CB-CB 4.32Å; L363-M369 HydrophobicContact CB-CE 3.54Å; L363-M369 HydrophobicContact CD2-CE 4.12Å; L363-M369 HydrophobicContact CG-CE 3.81Å; L363-M378 HydrophobicContact CD1-CE 4.19Å; L363-M378 HydrophobicContact CD2-CE 3.71Å; L363-M378 HydrophobicContact CG-CE 3.67Å; L363-L396 PolarHBondContact N-O 3.48Å; L363-M397 HydrophobicContact CB-CG 4.09Å; L363-M397 HydrophobicContact CD2-CG 4.17Å; L363-M397 HydrophobicContact CG-CG 4.49Å; L363-F398 PolarHBondContact O-N 3.02Å; L363-M409 HydrophobicContact CD2-SD 3.92Å; L363-F413 HydrophobicContact CD2-CD2 3.92Å; L363-F413 HydrophobicContact CD2-CE2 4.1Å
364	D	94.5	Very high	90.3	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.032	16%	0.157	C	C	.	.	S	Bend	trans	-111.3	144.9	175.8	-163.2	11.6	0	0	0	111.5	F260 V289 P291 I299 A366 F398	F260-D364 HydrophobicContact CE1-CB 4.37Å; F260-D364 HydrophobicContact CZ-CB 4.5Å; V289-D364 PolarHBondContact O-N 2.69Å; P291-D364 VanDerWaalsContact CD-O 3.22Å; P291-D364 WeakPolarHBondContact CD-O 3.05Å; I299-D364 HydrophobicContact CD1-CB 4.11Å; D364-A366 VanDerWaalsContact C-N 3.31Å; D364-F398 WeakPolarHBondContact OD1-CB 3.4Å
365	E	89	Confident	90	Very high	9 Å²	9	28.9 Å²	28.9	4%	0.042	16%	0.155	C	C	.	.	S	Bend	trans	42.3	56.2	-156.1	-69.4	-161.7	162.1	0	0	111.9	P291 L295 D367 R368 M369 F398 G521 H544 R548	P291-E365 HydrophobicContact CG-CB 3.92Å; L295-E365 HydrophobicContact CD2-CB 4.32Å; L295-E365 HydrophobicContact CD2-CG 4.13Å; E365-D367 VanDerWaalsContact C-N 3.3Å; E365-D367 VanDerWaalsContact C-OD1 3.22Å; E365-D367 WeakPolarHBondContact CA-OD1 3.5Å; E365-D367 PolarHBondContact O-N 3.15Å; E365-R368 HydrophobicContact CB-CB 4.13Å; E365-R368 HydrophobicContact CB-CG 4.2Å; E365-R368 PolarHBondContact O-N 2.61Å; E365-M369 PolarHBondContact O-N 3.2Å; E365-F398 PolarHBondContact N-O 3.25Å; E365-G521 VanDerWaalsContact CD-CA 3.42Å; E365-G521 VanDerWaalsContact OE1-CA 3.3Å; E365-G521 WeakPolarHBondContact OE1-CA 3.33Å; E365-G521 PolarHBondContact OE1-N 2.79Å; E365-G521 WeakPolarHBondContact OE2-CA 3.17Å; E365-G521 PolarHBondContact OE2-N 2.94Å; E365-H544 IonicContact OE1-ND1 3.39Å; E365-R548 IonicContact OE1-NH2 2.78Å
366	A	87.9	Confident	89.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-40.3	179.2	0	0	0	0	0	112.5	L363 D364 R368 M369 L370 M397 F398 I406	L363-A366 HydrophobicContact CB-CB 4.32Å; D364-A366 VanDerWaalsContact C-N 3.31Å; A366-R368 VanDerWaalsContact C-N 3.28Å; A366-R368 PolarHBondContact O-N 2.84Å; A366-M369 PolarHBondContact O-N 2.86Å; A366-M369 VanDerWaalsContact O-N 3.15Å; A366-L370 PolarHBondContact O-N 2.81Å; A366-M397 HydrophobicContact CB-CE 4.21Å; A366-F398 PolarHBondContact N-O 3.42Å; A366-I406 VanDerWaalsContact C-CD1 3.42Å; A366-I406 HydrophobicContact CB-CD1 4.27Å; A366-I406 VanDerWaalsContact O-CD1 3.27Å; A366-I406 WeakPolarHBondContact O-CD1 3.29Å
367	D	84.7	Confident	89.7	Confident	3 Å²	3	31.1 Å²	31.1	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-45.4	-51.1	166.8	43.5	18.2	0	0	0	111.8	E365 M369 L370 D371 S399 A400 T401 I406 H544	E365-D367 VanDerWaalsContact C-N 3.3Å; E365-D367 VanDerWaalsContact C-OD1 3.22Å; E365-D367 WeakPolarHBondContact CA-OD1 3.5Å; E365-D367 PolarHBondContact O-N 3.15Å; D367-M369 PolarHBondContact O-N 2.79Å; D367-L370 PolarHBondContact O-N 2.96Å; D367-D371 PolarHBondContact O-N 2.84Å; D367-S399 VanDerWaalsContact CB-OG 3.31Å; D367-S399 WeakPolarHBondContact CB-OG 3.21Å; D367-S399 PolarHBondContact OD2-OG 2.8Å; D367-A400 PolarHBondContact OD2-N 3.24Å; D367-T401 PolarHBondContact OD2-N 2.85Å; D367-T401 VanDerWaalsContact OD2-N 3.12Å; D367-I406 HydrophobicContact CB-CG1 4.45Å; D367-H544 IonicContact OD2-CE1 3.18Å; D367-H544 PolarHBondContact OD2-CE1 2.87Å; D367-H544 IonicContact OD2-NE2 3.78Å
368	R	81.4	Confident	89.6	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-79.5	-15.5	-176.7	-50.9	-46.4	175.1	174.2	-6.4	114.2	P291 E365 A366 D371 M372 R520 D540 H544	P291-R368 HydrophobicContact CG-CB 4.08Å; E365-R368 HydrophobicContact CB-CB 4.13Å; E365-R368 HydrophobicContact CB-CG 4.2Å; E365-R368 PolarHBondContact O-N 2.61Å; A366-R368 VanDerWaalsContact C-N 3.28Å; A366-R368 PolarHBondContact O-N 2.84Å; R368-D371 WeakPolarHBondContact CD-OD2 3.44Å; R368-D371 IonicContact CZ-OD2 2.7Å; R368-D371 IonicContact NE-OD2 2.82Å; R368-D371 IonicContact NH1-OD2 3.21Å; R368-D371 PolarHBondContact NH1-OD2 3.12Å; R368-M372 WeakPolarHBondContact O-CB 3.41Å; R368-M372 WeakPolarHBondContact O-CG 3.43Å; R368-M372 PolarHBondContact O-N 2.87Å; R368-R520 HydrophobicContact CG-CG 4.47Å; R368-D540 VanDerWaalsContact NH2-CB 3.33Å; R368-D540 PolarHBondContact NH2-O 3.2Å; R368-H544 PolarHBondContact NE-CE1 3.32Å; R368-H544 PolarHBondContact NE-ND1 2.95Å; R368-H544 PolarHBondContact NH2-CD2 2.93Å; R368-H544 PolarHBondContact NH2-CE1 3.04Å; R368-H544 VanDerWaalsContact NH2-CG 3.33Å; R368-H544 PolarHBondContact NH2-NE2 3.47Å
369	M	83.6	Confident	89.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71	-32.2	167.1	-71.8	-167	-78.5	0	0	112.5	V289 P291 P341 L363 E365 A366 D367 F374 M378	V289-M369 HydrophobicContact CB-SD 4.41Å; V289-M369 HydrophobicContact CG1-SD 3.88Å; P291-M369 HydrophobicContact CB-CG 3.82Å; P291-M369 HydrophobicContact CG-CG 4.16Å; P341-M369 HydrophobicContact CG-SD 4.38Å; L363-M369 HydrophobicContact CB-CE 3.54Å; L363-M369 HydrophobicContact CD2-CE 4.12Å; L363-M369 HydrophobicContact CG-CE 3.81Å; E365-M369 PolarHBondContact O-N 3.2Å; A366-M369 PolarHBondContact O-N 2.86Å; A366-M369 VanDerWaalsContact O-N 3.15Å; D367-M369 PolarHBondContact O-N 2.79Å; M369-F374 HydrophobicContact CB-CB 4.44Å; M369-F374 HydrophobicContact CG-CD2 4.49Å; M369-F374 WeakPolarHBondContact O-CA 3.48Å; M369-F374 WeakPolarHBondContact O-CB 3.46Å; M369-F374 PolarHBondContact O-N 3.2Å; M369-M378 HydrophobicContact CE-CE 4.41Å; M369-M378 HydrophobicContact SD-CE 4.25Å; M369-M378 HydrophobicContact SD-CG 4.38Å; M369-M378 HydrophobicContact SD-SD 3.86Å
370	L	81.9	Confident	89.3	Confident	29 Å²	29	35 Å²	35	15%	0.152	18%	0.178	C	C	.	.	H	α-helix	trans	-69.9	-51.4	169.3	-74.7	-172	0	0	0	111.7	A366 D367 M372 G373 E375 D405 I406 M409	A366-L370 PolarHBondContact O-N 2.81Å; D367-L370 PolarHBondContact O-N 2.96Å; L370-M372 PolarHBondContact O-N 2.91Å; L370-M372 VanDerWaalsContact O-N 3.14Å; L370-G373 PolarHBondContact O-N 3.25Å; L370-E375 HydrophobicContact CD2-CB 3.57Å; L370-E375 HydrophobicContact CD2-CG 3.53Å; L370-D405 VanDerWaalsContact CD1-C 3.47Å; L370-D405 HydrophobicContact CD1-CB 3.62Å; L370-I406 HydrophobicContact CB-CD1 4.39Å; L370-I406 HydrophobicContact CD1-CD1 3.4Å; L370-I406 VanDerWaalsContact CD1-CD1 3.4Å; L370-I406 HydrophobicContact CD1-CG1 3.81Å; L370-I406 HydrophobicContact CG-CD1 3.72Å; L370-M409 HydrophobicContact CD2-CE 3.45Å; L370-M409 VanDerWaalsContact CD2-CE 3.45Å; L370-M409 HydrophobicContact CG-CE 3.93Å
371	D	77.5	Confident	89.1	Confident	88 Å²	88	34.2 Å²	34.2	47%	0.471	18%	0.175	S	C	.	.	H	α-helix	trans	-51.3	-40	179.7	-75.1	-0.8	0	0	0	113.8	D367 R368 G373 R520	D367-D371 PolarHBondContact O-N 2.84Å; R368-D371 WeakPolarHBondContact CD-OD2 3.44Å; R368-D371 IonicContact CZ-OD2 2.7Å; R368-D371 IonicContact NE-OD2 2.82Å; R368-D371 IonicContact NH1-OD2 3.21Å; R368-D371 PolarHBondContact NH1-OD2 3.12Å; D371-G373 PolarHBondContact O-N 3.15Å; D371-R520 IonicContact OD2-CZ 3.9Å; D371-R520 VanDerWaalsContact OD2-CZ 3.3Å; D371-R520 IonicContact OD2-NH1 2.77Å; D371-R520 PolarHBondContact OD2-NH1 3.45Å; D371-R520 IonicContact OD2-NH2 2.67Å; D371-R520 PolarHBondContact OD2-NH2 2.88Å
372	M	75.4	Confident	88.9	Confident	59 Å²	59	35.7 Å²	35.7	29%	0.291	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	4.5	-177.8	-69.1	-176.5	60.1	0	0	113.2	P291 T292 R368 L370 F374 V517	P291-M372 HydrophobicContact CB-SD 3.82Å; T292-M372 HydrophobicContact CG2-SD 4.45Å; R368-M372 WeakPolarHBondContact O-CB 3.41Å; R368-M372 WeakPolarHBondContact O-CG 3.43Å; R368-M372 PolarHBondContact O-N 2.87Å; L370-M372 PolarHBondContact O-N 2.91Å; L370-M372 VanDerWaalsContact O-N 3.14Å; M372-F374 VanDerWaalsContact C-N 3.32Å; M372-F374 HydrophobicContact CB-CD2 3.77Å; M372-F374 HydrophobicContact CB-CE2 3.76Å; M372-F374 HydrophobicContact CE-CE2 3.7Å; M372-F374 HydrophobicContact CE-CZ 4.05Å; M372-F374 PolarHBondContact O-N 3.27Å; M372-F374 HydrophobicContact SD-CE2 4.21Å; M372-V517 HydrophobicContact CE-CG1 3.65Å; M372-V517 HydrophobicContact SD-CG1 4.14Å
373	G	84.1	Confident	88.6	Confident	51 Å²	51	38.7 Å²	38.7	53%	0.526	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	21.6	179.3	0	0	0	0	0	113.9	L370 D371 E375 P376	L370-G373 PolarHBondContact O-N 3.25Å; D371-G373 PolarHBondContact O-N 3.15Å; G373-E375 VanDerWaalsContact C-N 3.27Å; G373-E375 PolarHBondContact O-N 3.1Å; G373-P376 WeakPolarHBondContact O-CD 3.29Å
374	F	87.4	Confident	88.5	Confident	46 Å²	46	39.4 Å²	39.4	20%	0.202	22%	0.22	C	C	.	.			trans	-80.4	-2.1	177.1	-65.5	-55.1	0	0	0	113.6	P291 P341 M369 M372 P376 D377 M378	P291-F374 HydrophobicContact CB-CD2 4.4Å; P291-F374 HydrophobicContact CB-CE2 4.21Å; P291-F374 WeakPolarHBondContact O-CE2 3.4Å; P341-F374 HydrophobicContact CB-CD1 4.31Å; P341-F374 HydrophobicContact CB-CG 4.49Å; P341-F374 HydrophobicContact CG-CB 4.14Å; P341-F374 HydrophobicContact CG-CD1 4.24Å; P341-F374 HydrophobicContact CG-CD2 4.29Å; P341-F374 HydrophobicContact CG-CG 4Å; M369-F374 HydrophobicContact CB-CB 4.44Å; M369-F374 HydrophobicContact CG-CD2 4.49Å; M369-F374 WeakPolarHBondContact O-CA 3.48Å; M369-F374 WeakPolarHBondContact O-CB 3.46Å; M369-F374 PolarHBondContact O-N 3.2Å; M372-F374 VanDerWaalsContact C-N 3.32Å; M372-F374 HydrophobicContact CB-CD2 3.77Å; M372-F374 HydrophobicContact CB-CE2 3.76Å; M372-F374 HydrophobicContact CE-CE2 3.7Å; M372-F374 HydrophobicContact CE-CZ 4.05Å; M372-F374 PolarHBondContact O-N 3.27Å; M372-F374 HydrophobicContact SD-CE2 4.21Å; F374-P376 VanDerWaalsContact C-CD 3.42Å; F374-P376 VanDerWaalsContact C-N 3.33Å; F374-D377 CarbonylContact O-C 3.58Å; F374-D377 WeakPolarHBondContact O-CA 3.4Å; F374-D377 PolarHBondContact O-N 3Å; F374-M378 HydrophobicContact CB-CG 4.49Å; F374-M378 WeakPolarHBondContact O-CG 3.38Å; F374-M378 PolarHBondContact O-N 3.32Å
375	E	89.1	Confident	88.3	Confident	72 Å²	72	44.9 Å²	44.9	34%	0.336	26%	0.256	S	S	.	.	H	α-helix	trans	-48.2	-45.8	177.1	-161	-166.5	166.5	0	0	113.8	L370 G373 D377 M378 R379 M409	L370-E375 HydrophobicContact CD2-CB 3.57Å; L370-E375 HydrophobicContact CD2-CG 3.53Å; G373-E375 VanDerWaalsContact C-N 3.27Å; G373-E375 PolarHBondContact O-N 3.1Å; E375-D377 VanDerWaalsContact C-N 3.32Å; E375-D377 PolarHBondContact O-N 2.88Å; E375-M378 PolarHBondContact O-N 3.42Å; E375-R379 WeakPolarHBondContact O-CB 2.93Å; E375-R379 WeakPolarHBondContact O-CG 3.39Å; E375-R379 PolarHBondContact O-N 3.41Å; E375-R379 IonicContact OE1-CZ 2.61Å; E375-R379 IonicContact OE1-NE 3.47Å; E375-R379 PolarHBondContact OE1-NE 3.24Å; E375-R379 IonicContact OE1-NH2 3.72Å; E375-R379 PolarHBondContact OE1-NH2 2.96Å; E375-M409 HydrophobicContact CG-CE 4.19Å
376	P	91.9	Very high	88.4	Confident	81 Å²	81	46.4 Å²	46.4	53%	0.526	27%	0.274	S	S	.	.	H	α-helix	trans	-64.6	-36.5	178.2	-19.9	34.7	0	0	0	112.1	G373 F374 R380	G373-P376 WeakPolarHBondContact O-CD 3.29Å; F374-P376 VanDerWaalsContact C-CD 3.42Å; F374-P376 VanDerWaalsContact C-N 3.33Å; P376-R380 WeakPolarHBondContact O-CB 3.42Å; P376-R380 WeakPolarHBondContact O-CD 3.45Å; P376-R380 WeakPolarHBondContact O-CG 3.22Å; P376-R380 PolarHBondContact O-N 3.36Å
377	D	93.4	Very high	88.8	Confident	34 Å²	34	47.4 Å²	47.4	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-71.8	-35.4	176.4	-85.3	3.6	0	0	0	112.1	P341 L345 F374 E375 R380 L381	P341-D377 HydrophobicContact CB-CB 3.88Å; L345-D377 HydrophobicContact CD1-CB 3.74Å; F374-D377 CarbonylContact O-C 3.58Å; F374-D377 WeakPolarHBondContact O-CA 3.4Å; F374-D377 PolarHBondContact O-N 3Å; E375-D377 VanDerWaalsContact C-N 3.32Å; E375-D377 PolarHBondContact O-N 2.88Å; D377-R380 PolarHBondContact O-N 2.88Å; D377-R380 IonicContact OD1-CZ 3.15Å; D377-R380 IonicContact OD1-NH1 2.74Å; D377-R380 PolarHBondContact OD1-NH1 2.84Å; D377-L381 WeakPolarHBondContact O-CB 3.37Å; D377-L381 PolarHBondContact O-N 2.91Å
378	M	93.8	Very high	89.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-68.3	-43	173.5	-65.5	-50.9	-63.7	0	0	111.6	V289 P341 L363 M369 F374 E375 R380 L381 V382 M409 F413	V289-M378 HydrophobicContact CB-CE 4.13Å; V289-M378 HydrophobicContact CG1-CE 4.01Å; V289-M378 HydrophobicContact CG1-SD 3.74Å; V289-M378 HydrophobicContact CG2-CE 4.26Å; P341-M378 HydrophobicContact CB-SD 4.13Å; P341-M378 HydrophobicContact CG-SD 3.76Å; L363-M378 HydrophobicContact CD1-CE 4.19Å; L363-M378 HydrophobicContact CD2-CE 3.71Å; L363-M378 HydrophobicContact CG-CE 3.67Å; M369-M378 HydrophobicContact CE-CE 4.41Å; M369-M378 HydrophobicContact SD-CE 4.25Å; M369-M378 HydrophobicContact SD-CG 4.38Å; M369-M378 HydrophobicContact SD-SD 3.86Å; F374-M378 HydrophobicContact CB-CG 4.49Å; F374-M378 WeakPolarHBondContact O-CG 3.38Å; F374-M378 PolarHBondContact O-N 3.32Å; E375-M378 PolarHBondContact O-N 3.42Å; M378-R380 VanDerWaalsContact C-N 3.35Å; M378-R380 PolarHBondContact O-N 2.84Å; M378-L381 HydrophobicContact CE-CD2 4.26Å; M378-L381 PolarHBondContact O-N 2.93Å; M378-V382 WeakPolarHBondContact O-CG2 3.18Å; M378-V382 PolarHBondContact O-N 2.82Å; M378-M409 HydrophobicContact CB-CE 4.47Å; M378-F413 HydrophobicContact CB-CE2 4.08Å; M378-F413 HydrophobicContact CB-CZ 4.15Å
379	R	93.1	Very high	90.1	Very high	96 Å²	96	51.4 Å²	51.4	36%	0.362	31%	0.307	S	S	.	.	H	α-helix	trans	-63.1	-39.7	172.7	-70.3	-179.1	-177.6	-73.5	-5.8	111.6	E375 G383 D412 F413	E375-R379 WeakPolarHBondContact O-CB 2.93Å; E375-R379 WeakPolarHBondContact O-CG 3.39Å; E375-R379 PolarHBondContact O-N 3.41Å; E375-R379 IonicContact OE1-CZ 2.61Å; E375-R379 IonicContact OE1-NE 3.47Å; E375-R379 PolarHBondContact OE1-NE 3.24Å; E375-R379 IonicContact OE1-NH2 3.72Å; E375-R379 PolarHBondContact OE1-NH2 2.96Å; R379-G383 PolarHBondContact O-N 2.95Å; R379-D412 IonicContact CZ-OD2 3.4Å; R379-D412 IonicContact NH1-OD2 3.55Å; R379-D412 PolarHBondContact NH1-OD2 2.82Å; R379-D412 IonicContact NH2-OD2 2.66Å; R379-D412 PolarHBondContact NH2-OD2 3.38Å; R379-F413 HydrophobicContact CG-CE1 4.2Å; R379-F413 HydrophobicContact CG-CZ 4.04Å
380	R	94.8	Very high	90.6	Very high	142 Å²	142	53.6 Å²	53.6	54%	0.536	32%	0.316	S	S	.	.	H	α-helix	trans	-62.6	-38.3	171.4	-76.1	168.2	66.4	-155.4	2.6	112.8	L345 P376 D377 M378 G383 S384	L345-R380 HydrophobicContact CD1-CB 4.32Å; L345-R380 HydrophobicContact CD2-CB 4.34Å; P376-R380 WeakPolarHBondContact O-CB 3.42Å; P376-R380 WeakPolarHBondContact O-CD 3.45Å; P376-R380 WeakPolarHBondContact O-CG 3.22Å; P376-R380 PolarHBondContact O-N 3.36Å; D377-R380 PolarHBondContact O-N 2.88Å; D377-R380 IonicContact OD1-CZ 3.15Å; D377-R380 IonicContact OD1-NH1 2.74Å; D377-R380 PolarHBondContact OD1-NH1 2.84Å; M378-R380 VanDerWaalsContact C-N 3.35Å; M378-R380 PolarHBondContact O-N 2.84Å; R380-G383 CarbonylContact O-C 3.57Å; R380-S384 WeakPolarHBondContact O-CA 3.35Å; R380-S384 WeakPolarHBondContact O-CB 3.47Å; R380-S384 PolarHBondContact O-N 3.37Å; R380-S384 PolarHBondContact O-OG 2.91Å
381	L	94.6	Very high	91.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-68.9	-48	178.2	-179.9	64.9	0	0	0	111.3	V289 L344 L345 I348 L355 D377 M378 G383 S384 M387	V289-L381 HydrophobicContact CG2-CD2 3.69Å; L344-L381 HydrophobicContact CD2-CD1 3.82Å; L344-L381 HydrophobicContact CD2-CD2 3.81Å; L344-L381 HydrophobicContact CD2-CG 4.5Å; L344-L381 HydrophobicContact CG-CD1 4.14Å; L345-L381 HydrophobicContact CD2-CB 4.19Å; L345-L381 HydrophobicContact CD2-CD1 4.3Å; I348-L381 HydrophobicContact CD1-CD1 3.55Å; L355-L381 HydrophobicContact CD1-CD1 4.16Å; D377-L381 WeakPolarHBondContact O-CB 3.37Å; D377-L381 PolarHBondContact O-N 2.91Å; M378-L381 HydrophobicContact CE-CD2 4.26Å; M378-L381 PolarHBondContact O-N 2.93Å; L381-G383 VanDerWaalsContact C-N 3.29Å; L381-G383 PolarHBondContact O-N 3.04Å; L381-S384 VanDerWaalsContact O-CB 3.29Å; L381-S384 WeakPolarHBondContact O-CB 3.47Å; L381-S384 PolarHBondContact O-N 3.08Å; L381-S384 VanDerWaalsContact O-N 3.14Å; L381-M387 HydrophobicContact CG-CE 4.2Å
382	V	93.3	Very high	92.1	Very high	31 Å²	31	58.9 Å²	58.9	19%	0.188	34%	0.342	C	S	.	.	H	α-helix	trans	-65.3	-34.1	177.3	176.7	0	0	0	0	111.6	L361 M378 M387 F413	L361-V382 HydrophobicContact CD2-CG2 3.88Å; M378-V382 WeakPolarHBondContact O-CG2 3.18Å; M378-V382 PolarHBondContact O-N 2.82Å; V382-M387 WeakPolarHBondContact O-CG 3.41Å; V382-F413 HydrophobicContact CB-CD1 4.41Å; V382-F413 HydrophobicContact CB-CE1 4.17Å; V382-F413 HydrophobicContact CG1-CD1 4.16Å; V382-F413 HydrophobicContact CG1-CE1 4.34Å; V382-F413 HydrophobicContact CG2-CD1 4.04Å; V382-F413 HydrophobicContact CG2-CD2 4.29Å; V382-F413 HydrophobicContact CG2-CE1 3.94Å; V382-F413 HydrophobicContact CG2-CE2 4.19Å; V382-F413 HydrophobicContact CG2-CG 4.23Å; V382-F413 HydrophobicContact CG2-CZ 4.02Å
383	G	93.1	Very high	93.1	Very high	63 Å²	63	56.8 Å²	56.8	65%	0.649	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	10.2	172.9	0	0	0	0	0	115.4	R379 R380 L381	R379-G383 PolarHBondContact O-N 2.95Å; R380-G383 CarbonylContact O-C 3.57Å; L381-G383 VanDerWaalsContact C-N 3.29Å; L381-G383 PolarHBondContact O-N 3.04Å
384	S	93.2	Very high	93.7	Very high	15 Å²	15	54.9 Å²	54.9	11%	0.105	31%	0.308	C	S	.	.	S	Bend	trans	-72.6	142.2	-178.2	-79.2	0	0	0	0	111.9	R380 L381 G386 M387	R380-S384 WeakPolarHBondContact O-CA 3.35Å; R380-S384 WeakPolarHBondContact O-CB 3.47Å; R380-S384 PolarHBondContact O-N 3.37Å; R380-S384 PolarHBondContact O-OG 2.91Å; L381-S384 VanDerWaalsContact O-CB 3.29Å; L381-S384 WeakPolarHBondContact O-CB 3.47Å; L381-S384 PolarHBondContact O-N 3.08Å; L381-S384 VanDerWaalsContact O-N 3.14Å; S384-G386 PolarHBondContact O-N 3.4Å; S384-M387 VanDerWaalsContact O-CB 3.31Å; S384-M387 WeakPolarHBondContact O-CB 3.37Å; S384-M387 PolarHBondContact O-N 2.83Å
385	P	90.4	Very high	94.2	Very high	122 Å²	122	52.7 Å²	52.7	79%	0.792	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	127.1	179.6	-28.4	35.7	0	0	0	113
386	G	91.7	Very high	94.7	Very high	40 Å²	40	49.2 Å²	49.2	41%	0.412	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-4.2	-178.1	0	0	0	0	0	115.4	L355 S356 S384 P388	L355-G386 CarbonylContact C-O 3.59Å; S356-G386 VanDerWaalsContact CA-O 3.23Å; S356-G386 WeakPolarHBondContact CA-O 3.31Å; S356-G386 PolarHBondContact N-O 2.62Å; S384-G386 PolarHBondContact O-N 3.4Å; G386-P388 WeakPolarHBondContact O-CD 3.44Å
387	M	96.6	Very high	94.9	Very high	21 Å²	21	45.4 Å²	45.4	10%	0.103	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-63.9	124.8	166.9	-177.2	67.7	100.7	0	0	109.1	L355 V358 L361 L381 V382 S384	L355-M387 HydrophobicContact CB-CB 4.26Å; L355-M387 HydrophobicContact CB-SD 4.37Å; L355-M387 HydrophobicContact CD1-CB 3.96Å; L355-M387 HydrophobicContact CD1-CE 3.93Å; L355-M387 HydrophobicContact CD1-SD 4.17Å; V358-M387 HydrophobicContact CB-SD 4.31Å; V358-M387 HydrophobicContact CG1-SD 4.09Å; L361-M387 HydrophobicContact CD1-CE 4.19Å; L361-M387 HydrophobicContact CD2-CE 4.05Å; L381-M387 HydrophobicContact CG-CE 4.2Å; V382-M387 WeakPolarHBondContact O-CG 3.41Å; S384-M387 VanDerWaalsContact O-CB 3.31Å; S384-M387 WeakPolarHBondContact O-CB 3.37Å; S384-M387 PolarHBondContact O-N 2.83Å
388	P	96.9	Very high	95	Very high	29 Å²	29	43.8 Å²	43.8	19%	0.188	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-62.3	147.3	175.3	-25.6	37.8	0	0	0	111.5	L355 V358 G386 N392 R393	L355-P388 WeakPolarHBondContact O-CD 3.43Å; V358-P388 WeakPolarHBondContact O-CG 3.34Å; G386-P388 WeakPolarHBondContact O-CD 3.44Å; P388-N392 HydrophobicContact CB-CB 4.24Å; P388-R393 HydrophobicContact CB-CB 4.47Å; P388-R393 PolarHBondContact O-NH1 3.32Å
389	S	95.5	Very high	94.7	Very high	60 Å²	60	43.8 Å²	43.8	42%	0.42	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-56.2	155.5	173	56.3	0	0	0	0	110.8	E391 N392 R393	S389-E391 PolarHBondContact O-N 2.97Å; S389-E391 VanDerWaalsContact O-N 3.15Å; S389-N392 PolarHBondContact O-N 2.85Å; S389-N392 PolarHBondContact OG-ND2 3.45Å; S389-N392 VanDerWaalsContact OG-ND2 3.08Å; S389-R393 PolarHBondContact O-N 2.74Å
390	K	94.8	Very high	94.2	Very high	47 Å²	47	39.7 Å²	39.7	20%	0.204	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-59.7	-30.3	-175.8	72	-172.2	-172.2	168.4	0	113.2	N392 A411 D412 F413 L414 K415	K390-N392 VanDerWaalsContact C-N 3.35Å; K390-N392 PolarHBondContact O-N 3.47Å; K390-A411 PolarHBondContact NZ-O 3.26Å; K390-D412 WeakPolarHBondContact CD-O 3.31Å; K390-D412 PolarHBondContact NZ-O 3.06Å; K390-F413 WeakPolarHBondContact CB-O 3.39Å; K390-L414 WeakPolarHBondContact CD-O 3.28Å; K390-L414 WeakPolarHBondContact CE-O 3.32Å; K390-L414 PolarHBondContact NZ-O 3.46Å; K390-K415 WeakPolarHBondContact O-CE 3.33Å
391	E	94.8	Very high	93.5	Very high	102 Å²	102	33.1 Å²	33.1	48%	0.477	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-61.1	-38.8	171.8	-45.8	-43.7	131.8	0	0	113.3	S389 K415	S389-E391 PolarHBondContact O-N 2.97Å; S389-E391 VanDerWaalsContact O-N 3.15Å; E391-K415 WeakPolarHBondContact O-CE 3.41Å; E391-K415 PolarHBondContact O-NZ 3.3Å; E391-K415 VanDerWaalsContact O-NZ 3.12Å
392	N	95.6	Very high	93.2	Very high	126 Å²	126	33.6 Å²	33.6	67%	0.674	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-95.3	13.3	-171.8	-70.1	-30.8	0	0	0	114.2	P388 S389 K390	P388-N392 HydrophobicContact CB-CB 4.24Å; S389-N392 PolarHBondContact O-N 2.85Å; S389-N392 PolarHBondContact OG-ND2 3.45Å; S389-N392 VanDerWaalsContact OG-ND2 3.08Å; K390-N392 VanDerWaalsContact C-N 3.35Å; K390-N392 PolarHBondContact O-N 3.47Å
393	R	96.3	Very high	92.7	Very high	14 Å²	14	34.6 Å²	34.6	5%	0.053	22%	0.22	C	C	.	.	S	Bend	trans	-137.6	-177.7	171.7	69	-177.3	-169.6	-117.4	-3.7	109.2	P388 S389 T395 F413 K415	P388-R393 HydrophobicContact CB-CB 4.47Å; P388-R393 PolarHBondContact O-NH1 3.32Å; S389-R393 PolarHBondContact O-N 2.74Å; R393-T395 PolarHBondContact NE-OG1 3.26Å; R393-T395 PolarHBondContact NH2-OG1 3.02Å; R393-F413 PolarHBondContact NH2-O 2.91Å; R393-K415 WeakPolarHBondContact O-CE 3.43Å; R393-K415 PolarHBondContact O-NZ 3.08Å
394	Q	98.2	Very high	92.3	Very high	11 Å²	11	36.3 Å²	36.3	5%	0.051	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.3	164.8	-166.5	173.7	0.6	0	0	108.6	I240 G243 R244 D245 R359 Y360 L361 L396	I240-Q394 PolarHBondContact O-NE2 3.08Å; I240-Q394 PolarHBondContact O-OE1 2.99Å; G243-Q394 VanDerWaalsContact C-NE2 3.3Å; R244-Q394 PolarHBondContact O-NE2 2.84Å; D245-Q394 WeakPolarHBondContact OD1-CA 3.34Å; R359-Q394 PolarHBondContact O-N 3.09Å; Y360-Q394 WeakPolarHBondContact CA-O 3.33Å; Y360-Q394 HydrophobicContact CD1-CB 4.19Å; Y360-Q394 HydrophobicContact CE1-CB 4.32Å; L361-Q394 PolarHBondContact N-O 3.06Å; Q394-L396 HydrophobicContact CG-CD2 4.05Å
395	T	98.3	Very high	91.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.2	-179.8	-42.3	0	0	0	0	109.8	D245 L246 L361 R393 F413 L414	D245-T395 WeakPolarHBondContact CA-O 3.25Å; D245-T395 WeakPolarHBondContact CB-O 3.32Å; D245-T395 PolarHBondContact OD1-N 2.99Å; D245-T395 WeakPolarHBondContact OD2-CB 3.32Å; L246-T395 PolarHBondContact N-O 3.14Å; L361-T395 HydrophobicContact CB-CG2 4.28Å; L361-T395 HydrophobicContact CD2-CG2 4.09Å; L361-T395 HydrophobicContact CG-CG2 4.23Å; L361-T395 WeakPolarHBondContact O-CA 3.38Å; R393-T395 PolarHBondContact NE-OG1 3.26Å; R393-T395 PolarHBondContact NH2-OG1 3.02Å; T395-F413 HydrophobicContact CG2-CB 4.42Å; T395-F413 PolarHBondContact OG1-O 3.18Å; T395-L414 HydrophobicContact CG2-CD2 3.66Å; T395-L414 WeakPolarHBondContact O-CD2 3.42Å
396	L	98.4	Very high	91.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126	-175.8	-50.2	179.2	0	0	0	109.5	I240 L246 F260 I264 L361 V362 L363 Q394 F398	I240-L396 HydrophobicContact CD1-CD1 3.76Å; I240-L396 HydrophobicContact CD1-CD2 4.36Å; I240-L396 HydrophobicContact CG1-CD1 3.94Å; I240-L396 HydrophobicContact CG1-CD2 3.82Å; I240-L396 HydrophobicContact CG2-CD1 4Å; L246-L396 HydrophobicContact CB-CD2 3.82Å; L246-L396 WeakPolarHBondContact O-CA 3.42Å; F260-L396 HydrophobicContact CB-CD1 4.14Å; I264-L396 HydrophobicContact CD1-CD1 4.08Å; L361-L396 PolarHBondContact O-N 2.79Å; V362-L396 CarbonylContact C-O 3.47Å; V362-L396 WeakPolarHBondContact CA-O 3.32Å; V362-L396 HydrophobicContact CG1-CB 4.4Å; V362-L396 HydrophobicContact CG2-CB 4.38Å; V362-L396 HydrophobicContact CG2-CD1 4.14Å; L363-L396 PolarHBondContact N-O 3.48Å; Q394-L396 HydrophobicContact CG-CD2 4.05Å; L396-F398 HydrophobicContact CB-CE2 3.94Å
397	M	97.3	Very high	91.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.2	179	-73.9	176.6	61.2	0	0	110	L246 M247 A248 L363 A366 I406 M409 A410 F413 L414	L246-M397 PolarHBondContact O-N 3Å; M247-M397 CarbonylContact C-O 3.53Å; M247-M397 WeakPolarHBondContact CA-O 3.37Å; M247-M397 HydrophobicContact CE-CB 4.47Å; M247-M397 HydrophobicContact SD-CB 3.43Å; M247-M397 WeakPolarHBondContact SD-CB 3.38Å; M247-M397 HydrophobicContact SD-CE 4.06Å; A248-M397 PolarHBondContact N-O 3.42Å; L363-M397 HydrophobicContact CB-CG 4.09Å; L363-M397 HydrophobicContact CD2-CG 4.17Å; L363-M397 HydrophobicContact CG-CG 4.49Å; A366-M397 HydrophobicContact CB-CE 4.21Å; M397-I406 HydrophobicContact CE-CG2 4.32Å; M397-M409 HydrophobicContact CE-CB 4.16Å; M397-M409 HydrophobicContact CE-CG 3.72Å; M397-M409 HydrophobicContact CE-SD 3.86Å; M397-M409 HydrophobicContact SD-CG 4.41Å; M397-A410 HydrophobicContact CE-CB 4.16Å; M397-A410 HydrophobicContact SD-CB 4.18Å; M397-F413 HydrophobicContact SD-CB 4.46Å; M397-L414 HydrophobicContact CG-CD2 4.01Å; M397-L414 HydrophobicContact SD-CD1 4.25Å; M397-L414 HydrophobicContact SD-CD2 3.92Å; M397-L414 HydrophobicContact SD-CG 3.96Å
398	F	94.8	Very high	91.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.3	178.3	-71.5	-92.8	0	0	0	109.7	V232 I240 L246 A248 K256 A259 F260 V362 L363 D364 E365 A366 L396	V232-F398 HydrophobicContact CG2-CE1 4.48Å; I240-F398 HydrophobicContact CD1-CZ 4.29Å; L246-F398 HydrophobicContact CD2-CZ 4.13Å; A248-F398 HydrophobicContact CB-CD1 3.56Å; A248-F398 HydrophobicContact CB-CE1 3.54Å; A248-F398 HydrophobicContact CB-CG 4.34Å; A248-F398 HydrophobicContact CB-CZ 4.3Å; A248-F398 WeakPolarHBondContact O-CA 3.33Å; K256-F398 HydrophobicContact CB-CD1 3.89Å; K256-F398 HydrophobicContact CB-CE1 4.43Å; K256-F398 HydrophobicContact CD-CB 4.38Å; K256-F398 HydrophobicContact CD-CD1 4.06Å; K256-F398 HydrophobicContact CG-CD1 4.15Å; A259-F398 HydrophobicContact CB-CE1 4.49Å; F260-F398 HydrophobicContact CB-CE2 3.68Å; F260-F398 HydrophobicContact CB-CZ 3.86Å; F260-F398 HydrophobicContact CD1-CD1 4.45Å; F260-F398 AromaticContact CD1-CD2 3.61Å; F260-F398 HydrophobicContact CD1-CD2 3.61Å; F260-F398 HydrophobicContact CD1-CE1 4.29Å; F260-F398 AromaticContact CD1-CE2 3.42Å; F260-F398 HydrophobicContact CD1-CE2 3.42Å; F260-F398 VanDerWaalsContact CD1-CE2 3.42Å; F260-F398 HydrophobicContact CD1-CG 4.14Å; F260-F398 AromaticContact CD1-CZ 3.8Å; F260-F398 HydrophobicContact CD1-CZ 3.8Å; F260-F398 HydrophobicContact CE1-CD2 4.12Å; F260-F398 HydrophobicContact CE1-CE2 4.36Å; F260-F398 HydrophobicContact CE1-CG 4.44Å; F260-F398 HydrophobicContact CG-CD2 4.46Å; F260-F398 AromaticContact CG-CE2 3.94Å; F260-F398 HydrophobicContact CG-CE2 3.94Å; F260-F398 HydrophobicContact CG-CZ 4.33Å; V362-F398 HydrophobicContact CG1-CD2 4.16Å; V362-F398 HydrophobicContact CG1-CE2 4.39Å; L363-F398 PolarHBondContact O-N 3.02Å; D364-F398 WeakPolarHBondContact OD1-CB 3.4Å; E365-F398 PolarHBondContact N-O 3.25Å; A366-F398 PolarHBondContact N-O 3.42Å; L396-F398 HydrophobicContact CB-CE2 3.94Å
399	S	88.3	Confident	91	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	168.3	-174.5	-158.4	0	0	0	0	109.6	M247 A248 A250 K256 D367 T401	M247-S399 VanDerWaalsContact CE-CB 3.47Å; A248-S399 PolarHBondContact O-N 3.45Å; A250-S399 PolarHBondContact N-O 3Å; K256-S399 VanDerWaalsContact NZ-C 3.29Å; K256-S399 PolarHBondContact NZ-O 2.95Å; D367-S399 VanDerWaalsContact CB-OG 3.31Å; D367-S399 WeakPolarHBondContact CB-OG 3.21Å; D367-S399 PolarHBondContact OD2-OG 2.8Å; S399-T401 WeakPolarHBondContact CB-O 3.29Å; S399-T401 PolarHBondContact OG-O 2.65Å
400	A	81.8	Confident	90.7	Very high	10 Å²	10	34.2 Å²	34.2	8%	0.083	17%	0.166	C	C	.	.	S	Bend	trans	-109.3	-28.5	165	0	0	0	0	0	111.4	D367 G427 H544	D367-A400 PolarHBondContact OD2-N 3.24Å; A400-G427 PolarHBondContact O-N 3.31Å; A400-H544 WeakPolarHBondContact CB-NE2 3.49Å
401	T	80.8	Confident	90.5	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.031	18%	0.18	C	C	.	.			trans	-117.1	167.3	173.4	85.5	0	0	0	0	111.3	D367 S399 P403 D540	D367-T401 PolarHBondContact OD2-N 2.85Å; D367-T401 VanDerWaalsContact OD2-N 3.12Å; S399-T401 WeakPolarHBondContact CB-O 3.29Å; S399-T401 PolarHBondContact OG-O 2.65Å; T401-P403 WeakPolarHBondContact OG1-CD 3.5Å; T401-D540 WeakPolarHBondContact CB-OD2 3.35Å; T401-D540 HydrophobicContact CG2-CB 3.79Å; T401-D540 VanDerWaalsContact CG2-CG 3.44Å; T401-D540 WeakPolarHBondContact CG2-OD2 3.35Å; T401-D540 PolarHBondContact OG1-OD2 2.86Å
402	Y	86.9	Confident	90.3	Very high	9 Å²	9	33.6 Å²	33.6	4%	0.035	18%	0.177	C	C	.	.			trans	-137.3	56	-175.4	-157.4	-132.6	0	0	0	113.2	M247 I406 Q407 Y418 F420	M247-Y402 HydrophobicContact CE-CD2 3.67Å; M247-Y402 HydrophobicContact CE-CE2 3.67Å; M247-Y402 HydrophobicContact CG-CD2 4.34Å; M247-Y402 HydrophobicContact CG-CE2 3.53Å; M247-Y402 HydrophobicContact SD-CD2 4.4Å; M247-Y402 HydrophobicContact SD-CE2 3.78Å; Y402-I406 HydrophobicContact CD2-CB 4.32Å; Y402-I406 HydrophobicContact CD2-CG2 3.59Å; Y402-I406 HydrophobicContact CE2-CG2 3.76Å; Y402-Q407 HydrophobicContact CD1-CG 3.91Å; Y402-Q407 HydrophobicContact CD2-CG 4.43Å; Y402-Q407 HydrophobicContact CE1-CG 3.65Å; Y402-Q407 HydrophobicContact CE2-CG 4.18Å; Y402-Q407 HydrophobicContact CG-CG 4.3Å; Y402-Q407 PolarHBondContact O-NE2 3.07Å; Y402-Y418 PolarHBondContact OH-OH 2.9Å; Y402-Y418 VanDerWaalsContact OH-OH 3.08Å; Y402-F420 HydrophobicContact CD1-CD2 4.44Å; Y402-F420 AromaticContact CD1-CE2 3.47Å; Y402-F420 HydrophobicContact CD1-CE2 3.47Å; Y402-F420 VanDerWaalsContact CD1-CE2 3.47Å; Y402-F420 AromaticContact CD1-CZ 3.69Å; Y402-F420 HydrophobicContact CD1-CZ 3.69Å; Y402-F420 HydrophobicContact CD2-CE2 4.12Å; Y402-F420 AromaticContact CE1-CD2 3.83Å; Y402-F420 HydrophobicContact CE1-CD2 3.83Å; Y402-F420 AromaticContact CE1-CE2 3.29Å; Y402-F420 HydrophobicContact CE1-CE2 3.29Å; Y402-F420 AromaticContact CE1-CZ 3.83Å; Y402-F420 HydrophobicContact CE1-CZ 3.83Å; Y402-F420 HydrophobicContact CE2-CD2 4.45Å; Y402-F420 AromaticContact CE2-CE2 4Å; Y402-F420 HydrophobicContact CE2-CE2 4Å; Y402-F420 AromaticContact CG-CE2 3.9Å; Y402-F420 HydrophobicContact CG-CE2 3.9Å; Y402-F420 HydrophobicContact CG-CZ 4.28Å; Y402-F420 AromaticContact CZ-CD2 3.85Å; Y402-F420 AromaticContact CZ-CE2 3.59Å
403	P	83.3	Confident	90.3	Very high	52 Å²	52	28 Å²	28	34%	0.338	15%	0.146	S	C	.	.			trans	-64.6	161.5	176.9	30.9	-37.2	0	0	0	111.3	T401 D405 I406 Q407	T401-P403 WeakPolarHBondContact OG1-CD 3.5Å; P403-D405 PolarHBondContact O-N 3.42Å; P403-D405 VanDerWaalsContact O-N 3.12Å; P403-I406 HydrophobicContact CG-CB 4.27Å; P403-I406 HydrophobicContact CG-CG1 3.87Å; P403-I406 WeakPolarHBondContact O-CA 3.39Å; P403-I406 WeakPolarHBondContact O-CB 3.29Å; P403-I406 PolarHBondContact O-N 3.12Å; P403-Q407 PolarHBondContact O-N 3.18Å
404	E	83.7	Confident	90.2	Very high	100 Å²	100	27.3 Å²	27.3	47%	0.467	14%	0.144	S	C	.	.	H	α-helix	trans	-50.9	-40.3	-174.8	-166.5	-177.4	157.6	0	0	113.4	I406 Q407 R408	E404-I406 VanDerWaalsContact C-N 3.32Å; E404-I406 PolarHBondContact O-N 3Å; E404-Q407 WeakPolarHBondContact O-CA 3.48Å; E404-Q407 WeakPolarHBondContact O-CB 3.21Å; E404-Q407 PolarHBondContact O-N 3.5Å; E404-R408 WeakPolarHBondContact O-CG 3.47Å; E404-R408 PolarHBondContact O-N 3.39Å; E404-R408 IonicContact OE1-CZ 2.67Å; E404-R408 IonicContact OE1-NE 2.93Å; E404-R408 IonicContact OE1-NH2 3.83Å; E404-R408 PolarHBondContact OE1-NH2 3.43Å
405	D	85.7	Confident	90.1	Very high	80 Å²	80	28.4 Å²	28.4	43%	0.428	15%	0.149	S	C	.	.	H	α-helix	trans	-69.9	-26.1	179.8	-57.7	-66.5	0	0	0	113.6	L370 P403 R408 M409	L370-D405 VanDerWaalsContact CD1-C 3.47Å; L370-D405 HydrophobicContact CD1-CB 3.62Å; P403-D405 PolarHBondContact O-N 3.42Å; P403-D405 VanDerWaalsContact O-N 3.12Å; D405-R408 PolarHBondContact O-N 3.42Å; D405-R408 IonicContact OD1-CZ 3.63Å; D405-R408 IonicContact OD1-NE 3.99Å; D405-R408 IonicContact OD1-NH1 3.79Å; D405-R408 PolarHBondContact OD1-NH1 2.97Å; D405-M409 PolarHBondContact O-N 3.24Å
406	I	87.9	Confident	89.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-73.9	-33.1	168.5	-66.5	-66.6	0	0	0	111.1	M247 A366 D367 L370 M397 Y402 P403 E404 R408 M409 A410	M247-I406 HydrophobicContact CE-CG2 3.99Å; M247-I406 HydrophobicContact SD-CG2 4.47Å; A366-I406 VanDerWaalsContact C-CD1 3.42Å; A366-I406 HydrophobicContact CB-CD1 4.27Å; A366-I406 VanDerWaalsContact O-CD1 3.27Å; A366-I406 WeakPolarHBondContact O-CD1 3.29Å; D367-I406 HydrophobicContact CB-CG1 4.45Å; L370-I406 HydrophobicContact CB-CD1 4.39Å; L370-I406 HydrophobicContact CD1-CD1 3.4Å; L370-I406 VanDerWaalsContact CD1-CD1 3.4Å; L370-I406 HydrophobicContact CD1-CG1 3.81Å; L370-I406 HydrophobicContact CG-CD1 3.72Å; M397-I406 HydrophobicContact CE-CG2 4.32Å; Y402-I406 HydrophobicContact CD2-CB 4.32Å; Y402-I406 HydrophobicContact CD2-CG2 3.59Å; Y402-I406 HydrophobicContact CE2-CG2 3.76Å; P403-I406 HydrophobicContact CG-CB 4.27Å; P403-I406 HydrophobicContact CG-CG1 3.87Å; P403-I406 WeakPolarHBondContact O-CA 3.39Å; P403-I406 WeakPolarHBondContact O-CB 3.29Å; P403-I406 PolarHBondContact O-N 3.12Å; E404-I406 VanDerWaalsContact C-N 3.32Å; E404-I406 PolarHBondContact O-N 3Å; I406-R408 VanDerWaalsContact C-N 3.32Å; I406-M409 HydrophobicContact CD1-SD 4.48Å; I406-M409 PolarHBondContact O-N 3.18Å; I406-A410 VanDerWaalsContact O-CB 3.3Å; I406-A410 WeakPolarHBondContact O-CB 3.49Å; I406-A410 PolarHBondContact O-N 2.81Å
407	Q	89	Confident	89.6	Confident	35 Å²	35	36.1 Å²	36.1	16%	0.164	20%	0.195	C	C	.	.	H	α-helix	trans	-65.1	-38.6	172.1	-47.5	-168.1	14.7	0	0	111.1	Y402 P403 E404 A410 A411 S609 S612	Y402-Q407 HydrophobicContact CD1-CG 3.91Å; Y402-Q407 HydrophobicContact CD2-CG 4.43Å; Y402-Q407 HydrophobicContact CE1-CG 3.65Å; Y402-Q407 HydrophobicContact CE2-CG 4.18Å; Y402-Q407 HydrophobicContact CG-CG 4.3Å; Y402-Q407 PolarHBondContact O-NE2 3.07Å; P403-Q407 PolarHBondContact O-N 3.18Å; E404-Q407 WeakPolarHBondContact O-CA 3.48Å; E404-Q407 WeakPolarHBondContact O-CB 3.21Å; E404-Q407 PolarHBondContact O-N 3.5Å; Q407-A410 PolarHBondContact O-N 3.32Å; Q407-A411 WeakPolarHBondContact O-CB 3.45Å; Q407-A411 PolarHBondContact O-N 3.17Å; Q407-S609 PolarHBondContact NE2-OG 2.87Å; Q407-S612 PolarHBondContact OE1-OG 3.18Å
408	R	89.7	Confident	89.5	Confident	126 Å²	126	36.7 Å²	36.7	48%	0.475	20%	0.197	S	C	.	.	H	α-helix	trans	-63.2	-48.7	172.6	-64.5	169.7	-173.5	175	-8.3	111.4	E404 D405 I406 A410 A411 D412	E404-R408 WeakPolarHBondContact O-CG 3.47Å; E404-R408 PolarHBondContact O-N 3.39Å; E404-R408 IonicContact OE1-CZ 2.67Å; E404-R408 IonicContact OE1-NE 2.93Å; E404-R408 IonicContact OE1-NH2 3.83Å; E404-R408 PolarHBondContact OE1-NH2 3.43Å; D405-R408 PolarHBondContact O-N 3.42Å; D405-R408 IonicContact OD1-CZ 3.63Å; D405-R408 IonicContact OD1-NE 3.99Å; D405-R408 IonicContact OD1-NH1 3.79Å; D405-R408 PolarHBondContact OD1-NH1 2.97Å; I406-R408 VanDerWaalsContact C-N 3.32Å; R408-A410 VanDerWaalsContact C-N 3.31Å; R408-A410 PolarHBondContact O-N 3.32Å; R408-A411 PolarHBondContact O-N 3.47Å; R408-D412 PolarHBondContact O-N 3.01Å
409	M	89.4	Confident	89.6	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-58.9	-41.1	174.8	-179.1	179.6	-81.5	0	0	112.3	L363 L370 E375 M378 M397 D405 I406 D412 F413	L363-M409 HydrophobicContact CD2-SD 3.92Å; L370-M409 HydrophobicContact CD2-CE 3.45Å; L370-M409 VanDerWaalsContact CD2-CE 3.45Å; L370-M409 HydrophobicContact CG-CE 3.93Å; E375-M409 HydrophobicContact CG-CE 4.19Å; M378-M409 HydrophobicContact CB-CE 4.47Å; M397-M409 HydrophobicContact CE-CB 4.16Å; M397-M409 HydrophobicContact CE-CG 3.72Å; M397-M409 HydrophobicContact CE-SD 3.86Å; M397-M409 HydrophobicContact SD-CG 4.41Å; D405-M409 PolarHBondContact O-N 3.24Å; I406-M409 HydrophobicContact CD1-SD 4.48Å; I406-M409 PolarHBondContact O-N 3.18Å; M409-D412 PolarHBondContact O-N 2.68Å; M409-F413 HydrophobicContact CE-CE2 3.94Å; M409-F413 HydrophobicContact CE-CZ 4.48Å; M409-F413 HydrophobicContact CG-CD2 3.48Å; M409-F413 VanDerWaalsContact CG-CD2 3.48Å; M409-F413 HydrophobicContact CG-CE2 3.49Å; M409-F413 VanDerWaalsContact CG-CE2 3.49Å; M409-F413 HydrophobicContact CG-CG 4.24Å; M409-F413 HydrophobicContact CG-CZ 4.24Å; M409-F413 WeakPolarHBondContact O-CB 3.33Å; M409-F413 WeakPolarHBondContact O-CG 3.48Å; M409-F413 PolarHBondContact O-N 3.11Å; M409-F413 HydrophobicContact SD-CD2 4.13Å; M409-F413 HydrophobicContact SD-CE2 3.83Å
410	A	90.1	Very high	90	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-46.4	176.9	0	0	0	0	0	111.5	M247 M397 I406 Q407 R408 D412 F413 L414	M247-A410 HydrophobicContact SD-CB 4.43Å; M397-A410 HydrophobicContact CE-CB 4.16Å; M397-A410 HydrophobicContact SD-CB 4.18Å; I406-A410 VanDerWaalsContact O-CB 3.3Å; I406-A410 WeakPolarHBondContact O-CB 3.49Å; I406-A410 PolarHBondContact O-N 2.81Å; Q407-A410 PolarHBondContact O-N 3.32Å; R408-A410 VanDerWaalsContact C-N 3.31Å; R408-A410 PolarHBondContact O-N 3.32Å; A410-D412 VanDerWaalsContact C-N 3.31Å; A410-D412 PolarHBondContact O-N 3.06Å; A410-F413 PolarHBondContact O-N 2.88Å; A410-L414 HydrophobicContact CB-CD1 3.93Å; A410-L414 HydrophobicContact CB-CG 4.41Å; A410-L414 WeakPolarHBondContact O-CB 3.41Å; A410-L414 VanDerWaalsContact O-CG 3.31Å; A410-L414 WeakPolarHBondContact O-CG 3.46Å; A410-L414 PolarHBondContact O-N 3.23Å
411	A	89.8	Confident	90.6	Very high	61 Å²	61	36.3 Å²	36.3	50%	0.504	19%	0.194	S	C	.	.	H	α-helix	trans	-61.3	-37.1	176	0	0	0	0	0	112.9	K390 Q407 R408	K390-A411 PolarHBondContact NZ-O 3.26Å; Q407-A411 WeakPolarHBondContact O-CB 3.45Å; Q407-A411 PolarHBondContact O-N 3.17Å; R408-A411 PolarHBondContact O-N 3.47Å
412	D	91.7	Very high	91.2	Very high	76 Å²	76	36.4 Å²	36.4	41%	0.406	20%	0.195	S	C	.	.	H	α-helix	trans	-67.7	-51.9	175.2	-77.1	-31.4	0	0	0	112	R379 K390 R408 M409 A410	R379-D412 IonicContact CZ-OD2 3.4Å; R379-D412 IonicContact NH1-OD2 3.55Å; R379-D412 PolarHBondContact NH1-OD2 2.82Å; R379-D412 IonicContact NH2-OD2 2.66Å; R379-D412 PolarHBondContact NH2-OD2 3.38Å; K390-D412 WeakPolarHBondContact CD-O 3.31Å; K390-D412 PolarHBondContact NZ-O 3.06Å; R408-D412 PolarHBondContact O-N 3.01Å; M409-D412 PolarHBondContact O-N 2.68Å; A410-D412 VanDerWaalsContact C-N 3.31Å; A410-D412 PolarHBondContact O-N 3.06Å
413	F	94.1	Very high	91.2	Very high	7 Å²	7	36.6 Å²	36.6	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-90.9	-28.5	-166.1	-65.1	-9.7	0	0	0	115.1	L363 M378 R379 V382 K390 R393 T395 M397 M409 A410	L363-F413 HydrophobicContact CD2-CD2 3.92Å; L363-F413 HydrophobicContact CD2-CE2 4.1Å; M378-F413 HydrophobicContact CB-CE2 4.08Å; M378-F413 HydrophobicContact CB-CZ 4.15Å; R379-F413 HydrophobicContact CG-CE1 4.2Å; R379-F413 HydrophobicContact CG-CZ 4.04Å; V382-F413 HydrophobicContact CB-CD1 4.41Å; V382-F413 HydrophobicContact CB-CE1 4.17Å; V382-F413 HydrophobicContact CG1-CD1 4.16Å; V382-F413 HydrophobicContact CG1-CE1 4.34Å; V382-F413 HydrophobicContact CG2-CD1 4.04Å; V382-F413 HydrophobicContact CG2-CD2 4.29Å; V382-F413 HydrophobicContact CG2-CE1 3.94Å; V382-F413 HydrophobicContact CG2-CE2 4.19Å; V382-F413 HydrophobicContact CG2-CG 4.23Å; V382-F413 HydrophobicContact CG2-CZ 4.02Å; K390-F413 WeakPolarHBondContact CB-O 3.39Å; R393-F413 PolarHBondContact NH2-O 2.91Å; T395-F413 HydrophobicContact CG2-CB 4.42Å; T395-F413 PolarHBondContact OG1-O 3.18Å; M397-F413 HydrophobicContact SD-CB 4.46Å; M409-F413 HydrophobicContact CE-CE2 3.94Å; M409-F413 HydrophobicContact CE-CZ 4.48Å; M409-F413 HydrophobicContact CG-CD2 3.48Å; M409-F413 VanDerWaalsContact CG-CD2 3.48Å; M409-F413 HydrophobicContact CG-CE2 3.49Å; M409-F413 VanDerWaalsContact CG-CE2 3.49Å; M409-F413 HydrophobicContact CG-CG 4.24Å; M409-F413 HydrophobicContact CG-CZ 4.24Å; M409-F413 WeakPolarHBondContact O-CB 3.33Å; M409-F413 WeakPolarHBondContact O-CG 3.48Å; M409-F413 PolarHBondContact O-N 3.11Å; M409-F413 HydrophobicContact SD-CD2 4.13Å; M409-F413 HydrophobicContact SD-CE2 3.83Å; A410-F413 PolarHBondContact O-N 2.88Å
414	L	95.8	Very high	91.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.195	C	C	.	.	S	Bend	trans	-92.7	155.1	-179.4	-50.9	-179.3	0	0	0	112.1	D245 M247 K390 T395 M397 A410 Y418	D245-L414 HydrophobicContact CB-CB 4.32Å; D245-L414 HydrophobicContact CB-CD2 4.43Å; D245-L414 VanDerWaalsContact OD2-CA 3.29Å; D245-L414 WeakPolarHBondContact OD2-CA 3.36Å; M247-L414 HydrophobicContact CB-CD1 3.88Å; K390-L414 WeakPolarHBondContact CD-O 3.28Å; K390-L414 WeakPolarHBondContact CE-O 3.32Å; K390-L414 PolarHBondContact NZ-O 3.46Å; T395-L414 HydrophobicContact CG2-CD2 3.66Å; T395-L414 WeakPolarHBondContact O-CD2 3.42Å; M397-L414 HydrophobicContact CG-CD2 4.01Å; M397-L414 HydrophobicContact SD-CD1 4.25Å; M397-L414 HydrophobicContact SD-CD2 3.92Å; M397-L414 HydrophobicContact SD-CG 3.96Å; A410-L414 HydrophobicContact CB-CD1 3.93Å; A410-L414 HydrophobicContact CB-CG 4.41Å; A410-L414 WeakPolarHBondContact O-CB 3.41Å; A410-L414 VanDerWaalsContact O-CG 3.31Å; A410-L414 WeakPolarHBondContact O-CG 3.46Å; A410-L414 PolarHBondContact O-N 3.23Å; L414-Y418 HydrophobicContact CB-CD1 4.07Å; L414-Y418 HydrophobicContact CB-CG 4.07Å; L414-Y418 HydrophobicContact CD1-CD1 4.07Å; L414-Y418 HydrophobicContact CD1-CD2 3.55Å; L414-Y418 HydrophobicContact CD1-CE1 4.47Å; L414-Y418 HydrophobicContact CD1-CE2 4.01Å; L414-Y418 HydrophobicContact CD1-CG 3.59Å; L414-Y418 HydrophobicContact CG-CG 4.48Å
415	K	95.6	Very high	90.8	Very high	34 Å²	34	35.3 Å²	35.3	15%	0.148	20%	0.196	C	C	.	.			trans	-60.6	147.3	167.3	-61.5	174	-165.1	-177.6	0	111	D245 K390 E391 R393 D417 Y418	D245-K415 HydrophobicContact CB-CB 4.41Å; D245-K415 PolarHBondContact OD2-N 3.5Å; K390-K415 WeakPolarHBondContact O-CE 3.33Å; E391-K415 WeakPolarHBondContact O-CE 3.41Å; E391-K415 PolarHBondContact O-NZ 3.3Å; E391-K415 VanDerWaalsContact O-NZ 3.12Å; R393-K415 WeakPolarHBondContact O-CE 3.43Å; R393-K415 PolarHBondContact O-NZ 3.08Å; K415-D417 VanDerWaalsContact CB-OD1 3.28Å; K415-D417 WeakPolarHBondContact CB-OD1 3.29Å; K415-D417 PolarHBondContact O-N 2.86Å; K415-D417 VanDerWaalsContact O-N 3.11Å; K415-Y418 WeakPolarHBondContact O-CB 3.39Å; K415-Y418 WeakPolarHBondContact O-CD1 3.44Å; K415-Y418 PolarHBondContact O-N 3.08Å; K415-Y418 VanDerWaalsContact O-N 3.1Å
416	P	92.3	Very high	90	Very high	100 Å²	100	32.4 Å²	32.4	65%	0.649	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-29.9	-177.3	-26.1	35.3	0	0	0	115	Y418 R613	P416-Y418 VanDerWaalsContact C-N 3.29Å; P416-Y418 PolarHBondContact O-N 2.73Å; P416-R613 PolarHBondContact O-NH1 3.09Å; P416-R613 VanDerWaalsContact O-NH1 3.13Å
417	D	92.9	Very high	89	Confident	61 Å²	61	32.6 Å²	32.6	33%	0.326	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	6.7	-178.3	77.7	-64.7	0	0	0	114.3	R244 K415	R244-D417 IonicContact CZ-OD2 2.78Å; R244-D417 IonicContact NE-OD2 3.09Å; R244-D417 PolarHBondContact NE-OD2 3.26Å; R244-D417 PolarHBondContact NH2-O 3.24Å; R244-D417 IonicContact NH2-OD2 2.64Å; R244-D417 PolarHBondContact NH2-OD2 2.82Å; K415-D417 VanDerWaalsContact CB-OD1 3.28Å; K415-D417 WeakPolarHBondContact CB-OD1 3.29Å; K415-D417 PolarHBondContact O-N 2.86Å; K415-D417 VanDerWaalsContact O-N 3.11Å
418	Y	96.1	Very high	88.2	Confident	13 Å²	13	31.9 Å²	31.9	5%	0.051	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-50.5	144.9	-175.6	77.4	-88.7	0	0	0	113	D245 M247 Y402 L414 K415 P416 F420 R613	D245-Y418 WeakPolarHBondContact O-CA 3.39Å; M247-Y418 HydrophobicContact CB-CD2 3.77Å; M247-Y418 HydrophobicContact CB-CE2 3.6Å; M247-Y418 HydrophobicContact CG-CE2 4.43Å; Y402-Y418 PolarHBondContact OH-OH 2.9Å; Y402-Y418 VanDerWaalsContact OH-OH 3.08Å; L414-Y418 HydrophobicContact CB-CD1 4.07Å; L414-Y418 HydrophobicContact CB-CG 4.07Å; L414-Y418 HydrophobicContact CD1-CD1 4.07Å; L414-Y418 HydrophobicContact CD1-CD2 3.55Å; L414-Y418 HydrophobicContact CD1-CE1 4.47Å; L414-Y418 HydrophobicContact CD1-CE2 4.01Å; L414-Y418 HydrophobicContact CD1-CG 3.59Å; L414-Y418 HydrophobicContact CG-CG 4.48Å; K415-Y418 WeakPolarHBondContact O-CB 3.39Å; K415-Y418 WeakPolarHBondContact O-CD1 3.44Å; K415-Y418 PolarHBondContact O-N 3.08Å; K415-Y418 VanDerWaalsContact O-N 3.1Å; P416-Y418 VanDerWaalsContact C-N 3.29Å; P416-Y418 PolarHBondContact O-N 2.73Å; Y418-F420 HydrophobicContact CE2-CB 4.01Å; Y418-R613 VanDerWaalsContact CD1-NH1 3.31Å; Y418-R613 VanDerWaalsContact O-CZ 3.31Å; Y418-R613 PolarHBondContact O-NH1 2.83Å; Y418-R613 PolarHBondContact O-NH2 3.31Å
419	L	97.1	Very high	87.6	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.8	173.4	-64.4	177.4	0	0	0	109.5	S197 P201 I239 R244 D245 L246 M247	S197-L419 WeakPolarHBondContact O-CA 3.31Å; P201-L419 HydrophobicContact CB-CD1 4.13Å; P201-L419 HydrophobicContact CB-CD2 4.23Å; I239-L419 HydrophobicContact CB-CD1 4.42Å; I239-L419 HydrophobicContact CD1-CB 4.36Å; I239-L419 HydrophobicContact CD1-CD1 4.04Å; I239-L419 HydrophobicContact CG1-CD1 3.76Å; I239-L419 HydrophobicContact CG2-CB 4.37Å; I239-L419 HydrophobicContact CG2-CD1 3.93Å; R244-L419 HydrophobicContact CB-CD1 4.38Å; R244-L419 HydrophobicContact CG-CD1 4.46Å; D245-L419 PolarHBondContact O-N 3.45Å; L246-L419 WeakPolarHBondContact CA-O 3.34Å; L246-L419 WeakPolarHBondContact CD1-O 3.43Å; M247-L419 PolarHBondContact N-O 2.94Å
420	F	95.9	Very high	86.9	Confident	1 Å²	1	27 Å²	27	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.1	170.2	176.8	-102	0	0	0	108.6	I196 S197 M247 Y402 Y418 A422 D611	I196-F420 CarbonylContact C-O 3.48Å; I196-F420 VanDerWaalsContact CA-O 3.31Å; I196-F420 WeakPolarHBondContact CA-O 3.34Å; S197-F420 PolarHBondContact N-O 3.21Å; S197-F420 PolarHBondContact O-N 2.77Å; S197-F420 WeakPolarHBondContact OG-CD1 3.21Å; M247-F420 HydrophobicContact CB-CD2 3.99Å; M247-F420 HydrophobicContact CG-CD2 3.66Å; M247-F420 HydrophobicContact CG-CE2 4.03Å; M247-F420 CarbonylContact O-C 3.47Å; M247-F420 WeakPolarHBondContact O-CA 3.31Å; Y402-F420 HydrophobicContact CD1-CD2 4.44Å; Y402-F420 AromaticContact CD1-CE2 3.47Å; Y402-F420 HydrophobicContact CD1-CE2 3.47Å; Y402-F420 VanDerWaalsContact CD1-CE2 3.47Å; Y402-F420 AromaticContact CD1-CZ 3.69Å; Y402-F420 HydrophobicContact CD1-CZ 3.69Å; Y402-F420 HydrophobicContact CD2-CE2 4.12Å; Y402-F420 AromaticContact CE1-CD2 3.83Å; Y402-F420 HydrophobicContact CE1-CD2 3.83Å; Y402-F420 AromaticContact CE1-CE2 3.29Å; Y402-F420 HydrophobicContact CE1-CE2 3.29Å; Y402-F420 AromaticContact CE1-CZ 3.83Å; Y402-F420 HydrophobicContact CE1-CZ 3.83Å; Y402-F420 HydrophobicContact CE2-CD2 4.45Å; Y402-F420 AromaticContact CE2-CE2 4Å; Y402-F420 HydrophobicContact CE2-CE2 4Å; Y402-F420 AromaticContact CG-CE2 3.9Å; Y402-F420 HydrophobicContact CG-CE2 3.9Å; Y402-F420 HydrophobicContact CG-CZ 4.28Å; Y402-F420 AromaticContact CZ-CD2 3.85Å; Y402-F420 AromaticContact CZ-CE2 3.59Å; Y418-F420 HydrophobicContact CE2-CB 4.01Å; F420-A422 HydrophobicContact CE1-CB 3.84Å; F420-A422 HydrophobicContact CZ-CB 4.24Å; F420-D611 HydrophobicContact CD1-CB 4.14Å
421	L	94.9	Very high	86.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	110.8	-176.6	171	62.8	0	0	0	108.9	V194 I196 V232 H235 L246 M247 A248 C249 V423	V194-L421 HydrophobicContact CG1-CD1 3.4Å; I196-L421 HydrophobicContact CD1-CD1 4.01Å; I196-L421 HydrophobicContact CG1-CD1 3.81Å; V232-L421 HydrophobicContact CG2-CD2 4.15Å; H235-L421 HydrophobicContact CB-CD1 3.7Å; H235-L421 HydrophobicContact CB-CD2 3.92Å; H235-L421 HydrophobicContact CB-CG 4.5Å; L246-L421 HydrophobicContact CD1-CB 3.73Å; L246-L421 HydrophobicContact CD1-CD2 4.31Å; M247-L421 PolarHBondContact O-N 3.13Å; A248-L421 WeakPolarHBondContact CA-O 3.18Å; A248-L421 HydrophobicContact CB-CB 4.48Å; A248-L421 HydrophobicContact CB-CD2 4.38Å; C249-L421 PolarHBondContact N-O 3.16Å; L421-V423 HydrophobicContact CD1-CG2 4.16Å; L421-V423 HydrophobicContact CG-CG2 4.23Å
422	A	92.5	Very high	86.2	Confident	8 Å²	8	28.7 Å²	28.7	7%	0.066	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119	174.8	0	0	0	0	0	109.9	V194 D195 F420 V426	V194-A422 VanDerWaalsContact CA-O 3.31Å; V194-A422 WeakPolarHBondContact CA-O 3.41Å; D195-A422 HydrophobicContact CB-CB 4.45Å; D195-A422 PolarHBondContact N-O 2.7Å; D195-A422 PolarHBondContact O-N 2.82Å; F420-A422 HydrophobicContact CE1-CB 3.84Å; F420-A422 HydrophobicContact CZ-CB 4.24Å; A422-V426 HydrophobicContact CB-CG2 3.73Å
423	V	88.3	Confident	86	Confident	13 Å²	13	25.1 Å²	25.1	8%	0.079	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	109.2	177.6	175.9	0	0	0	0	108.6	I192 V194 P231 V232 C249 A250 L421	I192-V423 HydrophobicContact CG2-CG1 3.81Å; V194-V423 HydrophobicContact CG1-CG2 4.27Å; V194-V423 HydrophobicContact CG2-CG2 4.2Å; P231-V423 HydrophobicContact CB-CG1 3.87Å; P231-V423 HydrophobicContact CB-CG2 4.47Å; V232-V423 HydrophobicContact CB-CG2 4.12Å; V232-V423 HydrophobicContact CG2-CG2 4.49Å; C249-V423 PolarHBondContact O-N 2.64Å; A250-V423 HydrophobicContact CB-CB 3.83Å; A250-V423 HydrophobicContact CB-CG1 4.42Å; A250-V423 HydrophobicContact CB-CG2 4.29Å; L421-V423 HydrophobicContact CD1-CG2 4.16Å; L421-V423 HydrophobicContact CG-CG2 4.23Å
424	G	83.4	Confident	86	Confident	27 Å²	27	28.4 Å²	28.4	28%	0.278	18%	0.175	S	C	.	.	S	Bend	trans	73.3	-163.8	-173.2	0	0	0	0	0	113.4	L193 V426	L193-G424 PolarHBondContact O-N 3.45Å; G424-V426 PolarHBondContact O-N 3.17Å
425	I	73.6	Confident	85.9	Confident	98 Å²	98	28.6 Å²	28.6	50%	0.503	18%	0.176	S	C	.	.	S	Bend	trans	-73.4	112.3	176.9	-57.8	176.2	0	0	0	108.5	G427 G428	I425-G427 PolarHBondContact O-N 3.28Å; I425-G428 WeakPolarHBondContact O-CA 3.34Å; I425-G428 PolarHBondContact O-N 2.79Å
426	V	70.1	Confident	85.9	Confident	18 Å²	18	31.7 Å²	31.7	11%	0.109	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	126.1	175.1	-178.9	0	0	0	0	109.9	C249 A422 G424 G428	C249-V426 HydrophobicContact CB-CG1 4.1Å; C249-V426 HydrophobicContact CB-CG2 3.97Å; A422-V426 HydrophobicContact CB-CG2 3.73Å; G424-V426 PolarHBondContact O-N 3.17Å; V426-G428 VanDerWaalsContact C-N 3.26Å; V426-G428 PolarHBondContact O-N 3.25Å
427	G	66.6	Low	86	Confident	5 Å²	5	27.8 Å²	27.8	5%	0.052	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	11.2	-172.6	0	0	0	0	0	115.5	A400 I425	A400-G427 PolarHBondContact O-N 3.31Å; I425-G427 PolarHBondContact O-N 3.28Å
428	G	72.8	Confident	86.1	Confident	19 Å²	19	26.9 Å²	26.9	20%	0.196	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-75.5	151.3	173.8	0	0	0	0	0	113.4	I425 V426 V543	I425-G428 WeakPolarHBondContact O-CA 3.34Å; I425-G428 PolarHBondContact O-N 2.79Å; V426-G428 VanDerWaalsContact C-N 3.26Å; V426-G428 PolarHBondContact O-N 3.25Å; G428-V543 VanDerWaalsContact O-CG1 3.32Å; G428-V543 WeakPolarHBondContact O-CG1 3.33Å
429	A	76.4	Confident	86.1	Confident	17 Å²	17	30.8 Å²	30.8	14%	0.14	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-70.1	148.8	166.6	0	0	0	0	0	111.2	S431 V543 I546 V577 A581	A429-S431 PolarHBondContact O-N 3.1Å; A429-V543 HydrophobicContact CB-CG2 4.45Å; A429-I546 HydrophobicContact CB-CD1 3.8Å; A429-V577 HydrophobicContact CB-CG1 3.68Å; A429-A581 HydrophobicContact CB-CB 4.26Å
430	C	75.8	Confident	85.9	Confident	7 Å²	7	31.4 Å²	31.4	5%	0.047	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-70.2	126.8	173.2	-172.1	0	0	0	0	109.9	D432 V433 G550	C430-D432 PolarHBondContact O-N 3.11Å; C430-V433 HydrophobicContact CB-CG2 4.19Å; C430-V433 PolarHBondContact O-N 3.45Å; C430-V433 VanDerWaalsContact O-N 3.16Å; C430-G550 PolarHBondContact SG-O 3.24Å
431	S	79.7	Confident	85.7	Confident	90 Å²	90	35 Å²	35	63%	0.629	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.2	178.4	48.1	0	0	0	0	113.9	A429 V433	A429-S431 PolarHBondContact O-N 3.1Å; S431-V433 PolarHBondContact O-N 3.42Å
432	D	83.5	Confident	85.4	Confident	8 Å²	8	42.1 Å²	42.1	4%	0.043	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-4	170.4	-66.6	-40.9	0	0	0	113	N185 Y189 C430 V555 G556	N185-D432 WeakPolarHBondContact CB-OD1 3.49Å; N185-D432 PolarHBondContact ND2-OD1 2.79Å; Y189-D432 PolarHBondContact OH-OD2 2.84Å; C430-D432 PolarHBondContact O-N 3.11Å; D432-V555 CarbonylContact O-C 3.39Å; D432-V555 WeakPolarHBondContact O-CA 3.33Å; D432-G556 PolarHBondContact O-N 2.95Å
433	V	89.3	Confident	85.2	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.3	-177.9	-172.5	0	0	0	0	111.8	C430 S431 Q435 I546 T549 G556 A558 Q583	C430-V433 HydrophobicContact CB-CG2 4.19Å; C430-V433 PolarHBondContact O-N 3.45Å; C430-V433 VanDerWaalsContact O-N 3.16Å; S431-V433 PolarHBondContact O-N 3.42Å; V433-Q435 HydrophobicContact CG1-CG 4.33Å; V433-Q435 PolarHBondContact O-N 2.92Å; V433-Q435 PolarHBondContact O-NE2 3.05Å; V433-I546 HydrophobicContact CG1-CB 4.32Å; V433-T549 HydrophobicContact CG1-CG2 3.87Å; V433-T549 HydrophobicContact CG2-CG2 4.07Å; V433-G556 WeakPolarHBondContact CA-O 3.41Å; V433-A558 HydrophobicContact CG1-CB 3.6Å; V433-Q583 PolarHBondContact O-OE1 2.77Å
434	E	93	Very high	85.4	Confident	75 Å²	75	51.3 Å²	51.3	35%	0.35	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	116.9	167.6	-176.6	-170.9	-132.8	0	0	109.3	K436 G556 R557 A558	E434-K436 VanDerWaalsContact CD-CE 3.48Å; E434-K436 VanDerWaalsContact OE1-CE 3.28Å; E434-K436 WeakPolarHBondContact OE1-CE 3.39Å; E434-K436 IonicContact OE1-NZ 2.71Å; E434-K436 PolarHBondContact OE1-NZ 3.48Å; E434-K436 IonicContact OE2-NZ 2.7Å; E434-K436 PolarHBondContact OE2-NZ 3.4Å; E434-G556 PolarHBondContact N-O 2.91Å; E434-R557 HydrophobicContact CB-CG 4.25Å; E434-R557 CarbonylContact O-C 3.16Å; E434-A558 PolarHBondContact O-N 3.07Å
435	Q	94.6	Very high	86	Confident	5 Å²	5	50.2 Å²	50.2	2%	0.023	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.5	-177.4	-72.8	153.9	80.6	0	0	110.7	V433 Y542 I546 A558 L578 Q583	V433-Q435 HydrophobicContact CG1-CG 4.33Å; V433-Q435 PolarHBondContact O-N 2.92Å; V433-Q435 PolarHBondContact O-NE2 3.05Å; Q435-Y542 PolarHBondContact OE1-OH 2.98Å; Q435-I546 HydrophobicContact CG-CD1 3.88Å; Q435-A558 HydrophobicContact CG-CB 4.42Å; Q435-L578 HydrophobicContact CB-CD2 3.72Å; Q435-Q583 HydrophobicContact CB-CG 4.14Å
436	K	94.8	Very high	87	Confident	99 Å²	99	50 Å²	50	43%	0.43	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	141.2	177.4	-78.1	171.1	179.5	151.9	0	110.7	E434 A558 V559 S560	E434-K436 VanDerWaalsContact CD-CE 3.48Å; E434-K436 VanDerWaalsContact OE1-CE 3.28Å; E434-K436 WeakPolarHBondContact OE1-CE 3.39Å; E434-K436 IonicContact OE1-NZ 2.71Å; E434-K436 PolarHBondContact OE1-NZ 3.48Å; E434-K436 IonicContact OE2-NZ 2.7Å; E434-K436 PolarHBondContact OE2-NZ 3.4Å; K436-A558 PolarHBondContact N-O 3.42Å; K436-V559 HydrophobicContact CB-CG2 4.22Å; K436-V559 CarbonylContact O-C 3.56Å; K436-V559 WeakPolarHBondContact O-CA 3.49Å; K436-S560 PolarHBondContact O-N 3.48Å
437	F	95.6	Very high	88.1	Confident	18 Å²	18	54.9 Å²	54.9	8%	0.079	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135	179.4	-80.9	-96.3	0	0	0	110.2	L535 Y542 S560 L574 L578 P586 W588 L589	F437-L535 HydrophobicContact CE1-CD1 4.23Å; F437-L535 HydrophobicContact CE1-CD2 4.12Å; F437-Y542 HydrophobicContact CE1-CE2 4.38Å; F437-Y542 HydrophobicContact CE2-CE2 4.47Å; F437-Y542 VanDerWaalsContact CE2-OH 3.26Å; F437-Y542 WeakPolarHBondContact CE2-OH 3.29Å; F437-Y542 AromaticContact CZ-CE2 3.67Å; F437-Y542 HydrophobicContact CZ-CE2 3.67Å; F437-Y542 AromaticContact CZ-CZ 3.59Å; F437-Y542 VanDerWaalsContact CZ-OH 3.27Å; F437-Y542 WeakPolarHBondContact CZ-OH 3.25Å; F437-S560 WeakPolarHBondContact CA-O 3.43Å; F437-L574 HydrophobicContact CE1-CD1 3.73Å; F437-L574 HydrophobicContact CE1-CD2 4.04Å; F437-L574 HydrophobicContact CE1-CG 4.35Å; F437-L574 HydrophobicContact CZ-CB 4.41Å; F437-L574 HydrophobicContact CZ-CD1 4.19Å; F437-L574 HydrophobicContact CZ-CD2 3.74Å; F437-L574 HydrophobicContact CZ-CG 4.32Å; F437-L578 HydrophobicContact CD2-CD1 4Å; F437-L578 HydrophobicContact CD2-CD2 4.3Å; F437-L578 HydrophobicContact CE2-CD1 3.89Å; F437-L578 HydrophobicContact CE2-CD2 3.95Å; F437-L578 HydrophobicContact CE2-CG 4.19Å; F437-P586 HydrophobicContact CB-CG 4.19Å; F437-W588 HydrophobicContact CB-CH2 3.86Å; F437-W588 HydrophobicContact CB-CZ2 3.93Å; F437-L589 HydrophobicContact CG-CD2 4.43Å
438	V	95.1	Very high	89.5	Confident	43 Å²	43	57.7 Å²	57.7	26%	0.261	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.4	176.1	-164.2	0	0	0	0	107.9	V440 V559 S560 F561 F562	V438-V440 HydrophobicContact CB-CG1 4.49Å; V438-V440 HydrophobicContact CG1-CG1 3.87Å; V438-V440 PolarHBondContact O-N 3.43Å; V438-V559 HydrophobicContact CG2-CG1 3.91Å; V438-S560 PolarHBondContact N-O 3.24Å; V438-F561 HydrophobicContact CB-CD1 4.42Å; V438-F561 WeakPolarHBondContact O-CA 3.44Å; V438-F562 PolarHBondContact O-N 2.91Å
439	Q	94.9	Very high	90.7	Very high	94 Å²	94	56.8 Å²	56.8	44%	0.439	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	115.5	174	-168.3	-178.7	25.8	0	0	108.5	F562 P564 W588	Q439-F562 WeakPolarHBondContact CA-O 3.28Å; Q439-P564 HydrophobicContact CG-CG 4.03Å; Q439-W588 HydrophobicContact CB-CD2 4Å; Q439-W588 HydrophobicContact CB-CE3 4.09Å; Q439-W588 HydrophobicContact CB-CH2 4.02Å; Q439-W588 HydrophobicContact CB-CZ2 3.89Å; Q439-W588 HydrophobicContact CB-CZ3 4.12Å; Q439-W588 HydrophobicContact CG-CD2 4.42Å; Q439-W588 HydrophobicContact CG-CE3 4.19Å; Q439-W588 HydrophobicContact CG-CZ3 4.38Å
440	V	94.2	Very high	91.6	Very high	14 Å²	14	56.6 Å²	56.6	9%	0.085	28%	0.28	C	S	.	.			trans	-144	139.4	-176.6	-73.1	0	0	0	0	111.7	V438 K445 Q448 F561 F562	V438-V440 HydrophobicContact CB-CG1 4.49Å; V438-V440 HydrophobicContact CG1-CG1 3.87Å; V438-V440 PolarHBondContact O-N 3.43Å; V440-K445 HydrophobicContact CB-CG 4.48Å; V440-K445 HydrophobicContact CG2-CG 3.74Å; V440-Q448 HydrophobicContact CG1-CB 4.38Å; V440-Q448 HydrophobicContact CG1-CG 4.15Å; V440-F561 HydrophobicContact CG2-CB 3.5Å; V440-F561 HydrophobicContact CG2-CD1 4.09Å; V440-F561 HydrophobicContact CG2-CD2 4.25Å; V440-F561 HydrophobicContact CG2-CG 3.7Å; V440-F562 PolarHBondContact N-O 2.68Å
441	T	91.5	Very high	92.5	Very high	76 Å²	76	59.9 Å²	59.9	47%	0.466	30%	0.297	S	S	.	.			trans	-68.6	148	169.5	80.2	0	0	0	0	110.4	F443 S444 K445	T441-F443 PolarHBondContact O-N 3Å; T441-S444 PolarHBondContact O-N 3.12Å; T441-S444 PolarHBondContact OG1-N 3.03Å; T441-S444 PolarHBondContact OG1-OG 2.9Å; T441-S444 VanDerWaalsContact OG1-OG 3.07Å; T441-K445 PolarHBondContact O-N 3.39Å
442	K	88.4	Confident	93.2	Very high	150 Å²	150	56.6 Å²	56.6	65%	0.652	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.7	-34.8	172	-172.4	171.6	-175.3	170.3	0	115.8	D563	K442-D563 WeakPolarHBondContact CB-OD2 3.16Å; K442-D563 PolarHBondContact N-OD2 2.53Å
443	F	87.6	Confident	93.7	Very high	165 Å²	165	56.5 Å²	56.5	72%	0.724	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-43.3	179.9	-63.7	-77	0	0	0	112.2	T441 K445	T441-F443 PolarHBondContact O-N 3Å; F443-K445 VanDerWaalsContact C-N 3.33Å; F443-K445 PolarHBondContact O-N 2.67Å
444	S	92.5	Very high	93.8	Very high	48 Å²	48	62.4 Å²	62.4	34%	0.336	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-23.8	-178.8	-49.4	0	0	0	0	113.8	T441 R446 E447 Q448	T441-S444 PolarHBondContact O-N 3.12Å; T441-S444 PolarHBondContact OG1-N 3.03Å; T441-S444 PolarHBondContact OG1-OG 2.9Å; T441-S444 VanDerWaalsContact OG1-OG 3.07Å; S444-R446 PolarHBondContact O-N 3.22Å; S444-E447 PolarHBondContact O-N 3.4Å; S444-E447 VanDerWaalsContact O-N 3.1Å; S444-Q448 PolarHBondContact O-N 2.75Å
445	K	95.3	Very high	93.7	Very high	5 Å²	5	64.9 Å²	64.9	2%	0.022	32%	0.317	C	S	.	.	H	α-helix	trans	-47	-35.5	-179.8	-70.9	-175.4	173.2	-153	0	114.2	V440 T441 F443 L449 F533 D534 F561	V440-K445 HydrophobicContact CB-CG 4.48Å; V440-K445 HydrophobicContact CG2-CG 3.74Å; T441-K445 PolarHBondContact O-N 3.39Å; F443-K445 VanDerWaalsContact C-N 3.33Å; F443-K445 PolarHBondContact O-N 2.67Å; K445-L449 VanDerWaalsContact O-CB 3.31Å; K445-L449 WeakPolarHBondContact O-CB 3.33Å; K445-L449 PolarHBondContact O-N 2.73Å; K445-F533 HydrophobicContact CB-CD2 4.32Å; K445-F533 HydrophobicContact CB-CE1 3.91Å; K445-F533 HydrophobicContact CB-CE2 3.68Å; K445-F533 HydrophobicContact CB-CZ 3.43Å; K445-F533 VanDerWaalsContact CB-CZ 3.43Å; K445-F533 HydrophobicContact CD-CD1 4.19Å; K445-F533 HydrophobicContact CD-CE1 3.9Å; K445-F533 HydrophobicContact CD-CZ 4.33Å; K445-F533 VanDerWaalsContact CD-O 3.3Å; K445-F533 WeakPolarHBondContact CD-O 3.33Å; K445-F533 WeakPolarHBondContact CE-O 3.48Å; K445-F533 PolarHBondContact NZ-O 2.96Å; K445-F533 WeakPolarHBondContact O-CE2 3.39Å; K445-D534 IonicContact NZ-OD1 2.63Å; K445-D534 PolarHBondContact NZ-OD1 3.09Å; K445-F561 HydrophobicContact CB-CD2 3.88Å; K445-F561 HydrophobicContact CB-CE2 4.21Å; K445-F561 HydrophobicContact CD-CB 4.49Å; K445-F561 HydrophobicContact CD-CD2 4.3Å; K445-F561 HydrophobicContact CG-CB 4.38Å; K445-F561 HydrophobicContact CG-CD2 3.84Å; K445-F561 HydrophobicContact CG-CG 4.45Å; K445-F561 VanDerWaalsContact O-CE2 3.22Å; K445-F561 WeakPolarHBondContact O-CE2 3.3Å
446	R	95.1	Very high	93.2	Very high	92 Å²	92	65.4 Å²	65.4	35%	0.347	32%	0.321	S	S	.	.	H	α-helix	trans	-72	-42.1	-178.1	-64.4	-177.2	-60.7	147.3	6.8	113.5	S444 L450 I474 F477 F533	S444-R446 PolarHBondContact O-N 3.22Å; R446-L450 WeakPolarHBondContact O-CB 3.3Å; R446-L450 PolarHBondContact O-N 3.22Å; R446-L450 VanDerWaalsContact O-N 3.1Å; R446-I474 HydrophobicContact CG-CD1 4.11Å; R446-F477 HydrophobicContact CB-CE1 4.04Å; R446-F477 HydrophobicContact CB-CZ 4.35Å; R446-F533 HydrophobicContact CG-CE2 4.26Å; R446-F533 HydrophobicContact CG-CZ 3.92Å
447	E	94.5	Very high	92.8	Very high	122 Å²	122	63.1 Å²	63.1	57%	0.57	33%	0.325	S	S	*	.	H	α-helix	trans	-68.7	-46.2	177.1	-70.7	155.7	-166.9	0	0	109.1	S444 L449 L450 D451	S444-E447 PolarHBondContact O-N 3.4Å; S444-E447 VanDerWaalsContact O-N 3.1Å; E447-L449 VanDerWaalsContact C-N 3.33Å; E447-L449 PolarHBondContact O-N 2.67Å; E447-L450 PolarHBondContact O-N 2.82Å; E447-L450 VanDerWaalsContact O-N 3.09Å; E447-D451 PolarHBondContact O-N 3.28Å
448	Q	96.1	Very high	92.3	Very high	64 Å²	64	68.2 Å²	68.2	30%	0.299	36%	0.358	S	S	.	.	H	α-helix	trans	-58.5	-40.4	175.6	-171.9	62.6	83.4	0	0	113.1	V440 S444 I452 F561	V440-Q448 HydrophobicContact CG1-CB 4.38Å; V440-Q448 HydrophobicContact CG1-CG 4.15Å; S444-Q448 PolarHBondContact O-N 2.75Å; Q448-I452 HydrophobicContact CG-CD1 4.07Å; Q448-I452 WeakPolarHBondContact O-CB 3.36Å; Q448-I452 WeakPolarHBondContact O-CD1 3.38Å; Q448-I452 VanDerWaalsContact O-CG1 3.26Å; Q448-I452 WeakPolarHBondContact O-CG1 3.22Å; Q448-I452 PolarHBondContact O-N 3.04Å; Q448-I452 VanDerWaalsContact O-N 3.09Å; Q448-F561 HydrophobicContact CB-CE1 4.27Å; Q448-F561 HydrophobicContact CB-CE2 4.45Å; Q448-F561 HydrophobicContact CB-CZ 3.93Å; Q448-F561 HydrophobicContact CG-CD1 4.34Å; Q448-F561 HydrophobicContact CG-CE1 3.52Å; Q448-F561 HydrophobicContact CG-CZ 3.65Å
449	L	96.6	Very high	92.1	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-62.2	-47.3	173.9	176.8	67.1	0	0	0	111.4	K445 E447 D451 I452 L453 V463 I474 L478 V531 F533 F561	K445-L449 VanDerWaalsContact O-CB 3.31Å; K445-L449 WeakPolarHBondContact O-CB 3.33Å; K445-L449 PolarHBondContact O-N 2.73Å; E447-L449 VanDerWaalsContact C-N 3.33Å; E447-L449 PolarHBondContact O-N 2.67Å; L449-D451 VanDerWaalsContact C-N 3.34Å; L449-D451 PolarHBondContact O-N 3.16Å; L449-I452 PolarHBondContact O-N 3.37Å; L449-L453 HydrophobicContact CD1-CD1 3.96Å; L449-L453 HydrophobicContact CD1-CG 4.23Å; L449-L453 HydrophobicContact CD2-CD1 4.48Å; L449-L453 HydrophobicContact CG-CD1 3.88Å; L449-L453 HydrophobicContact CG-CG 4.47Å; L449-L453 WeakPolarHBondContact O-CB 3.48Å; L449-L453 VanDerWaalsContact O-CG 3.31Å; L449-L453 WeakPolarHBondContact O-CG 3.29Å; L449-L453 PolarHBondContact O-N 2.84Å; L449-V463 HydrophobicContact CD1-CG1 3.9Å; L449-V463 HydrophobicContact CD1-CG2 3.97Å; L449-V463 HydrophobicContact CD2-CG1 4.15Å; L449-I474 HydrophobicContact CD2-CG2 3.63Å; L449-L478 HydrophobicContact CD2-CD1 4.11Å; L449-L478 HydrophobicContact CD2-CD2 4.32Å; L449-V531 HydrophobicContact CD1-CB 4.37Å; L449-V531 HydrophobicContact CD1-CG1 3.87Å; L449-F533 HydrophobicContact CB-CD2 4.11Å; L449-F533 HydrophobicContact CB-CE2 4.16Å; L449-F533 HydrophobicContact CD2-CD2 3.79Å; L449-F533 HydrophobicContact CD2-CE2 4.01Å; L449-F533 HydrophobicContact CG-CD2 4.38Å; L449-F561 HydrophobicContact CB-CE2 4.06Å; L449-F561 HydrophobicContact CB-CZ 4.19Å
450	L	95.5	Very high	92	Very high	13 Å²	13	66.3 Å²	66.3	7%	0.068	34%	0.344	C	S	.	.	H	α-helix	trans	-63.8	-40.7	-176.9	-179.8	62.9	0	0	0	111.4	R446 E447 L453 K454 F477 L478 E481 V483	R446-L450 WeakPolarHBondContact O-CB 3.3Å; R446-L450 PolarHBondContact O-N 3.22Å; R446-L450 VanDerWaalsContact O-N 3.1Å; E447-L450 PolarHBondContact O-N 2.82Å; E447-L450 VanDerWaalsContact O-N 3.09Å; L450-L453 PolarHBondContact O-N 2.89Å; L450-K454 HydrophobicContact CG-CD 4.43Å; L450-K454 VanDerWaalsContact O-CG 3.29Å; L450-K454 WeakPolarHBondContact O-CG 3.48Å; L450-K454 PolarHBondContact O-N 3.13Å; L450-F477 HydrophobicContact CD2-CZ 4.35Å; L450-L478 HydrophobicContact CD1-CD2 4.26Å; L450-E481 HydrophobicContact CD1-CB 3.76Å; L450-E481 HydrophobicContact CD1-CG 4.1Å; L450-E481 HydrophobicContact CD2-CB 4.35Å; L450-E481 HydrophobicContact CD2-CG 3.88Å; L450-V483 HydrophobicContact CD1-CG2 4.01Å
451	D	94.6	Very high	92	Very high	75 Å²	75	65.8 Å²	65.8	40%	0.401	34%	0.341	S	S	.	.	H	α-helix	trans	-74.1	-32.8	179.7	-66	-21.4	0	0	0	112.6	E447 L449 K454 T455	E447-D451 PolarHBondContact O-N 3.28Å; L449-D451 VanDerWaalsContact C-N 3.34Å; L449-D451 PolarHBondContact O-N 3.16Å; D451-K454 IonicContact OD1-NZ 3.85Å; D451-K454 PolarHBondContact OD1-NZ 3.02Å; D451-T455 WeakPolarHBondContact O-CB 3.31Å; D451-T455 PolarHBondContact O-N 2.89Å; D451-T455 PolarHBondContact O-OG1 3Å
452	I	93.9	Very high	92.1	Very high	21 Å²	21	62.1 Å²	62.1	11%	0.108	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-47.6	167.2	-74.9	165.6	0	0	0	110.6	Q448 L449 T455 T456 V531 V559 F561	Q448-I452 HydrophobicContact CG-CD1 4.07Å; Q448-I452 WeakPolarHBondContact O-CB 3.36Å; Q448-I452 WeakPolarHBondContact O-CD1 3.38Å; Q448-I452 VanDerWaalsContact O-CG1 3.26Å; Q448-I452 WeakPolarHBondContact O-CG1 3.22Å; Q448-I452 PolarHBondContact O-N 3.04Å; Q448-I452 VanDerWaalsContact O-N 3.09Å; L449-I452 PolarHBondContact O-N 3.37Å; I452-T455 CarbonylContact O-C 3.42Å; I452-T455 PolarHBondContact O-N 3.32Å; I452-T455 VanDerWaalsContact O-N 3.16Å; I452-T456 PolarHBondContact O-N 3Å; I452-T456 PolarHBondContact O-OG1 2.89Å; I452-V531 HydrophobicContact CG2-CG2 4.29Å; I452-V559 HydrophobicContact CD1-CG1 3.81Å; I452-F561 HydrophobicContact CD1-CE1 3.62Å; I452-F561 HydrophobicContact CD1-CZ 3.88Å
453	L	94.4	Very high	92.5	Very high	7 Å²	7	55 Å²	55	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-65.8	-40.8	-179.2	-71.5	172.6	0	0	0	112.2	L449 L450 T455 T456 G457 T461 L478 V483 V511	L449-L453 HydrophobicContact CD1-CD1 3.96Å; L449-L453 HydrophobicContact CD1-CG 4.23Å; L449-L453 HydrophobicContact CD2-CD1 4.48Å; L449-L453 HydrophobicContact CG-CD1 3.88Å; L449-L453 HydrophobicContact CG-CG 4.47Å; L449-L453 WeakPolarHBondContact O-CB 3.48Å; L449-L453 VanDerWaalsContact O-CG 3.31Å; L449-L453 WeakPolarHBondContact O-CG 3.29Å; L449-L453 PolarHBondContact O-N 2.84Å; L450-L453 PolarHBondContact O-N 2.89Å; L453-T455 VanDerWaalsContact C-N 3.27Å; L453-T455 PolarHBondContact O-N 2.84Å; L453-T456 PolarHBondContact O-N 3.06Å; L453-G457 PolarHBondContact O-N 2.92Å; L453-T461 HydrophobicContact CD2-CG2 3.62Å; L453-L478 HydrophobicContact CD1-CD1 3.66Å; L453-L478 HydrophobicContact CD1-CD2 3.58Å; L453-L478 HydrophobicContact CD1-CG 4.27Å; L453-V483 HydrophobicContact CD1-CG1 4.46Å; L453-V511 HydrophobicContact CD1-CG1 4.21Å; L453-V511 HydrophobicContact CD1-CG2 4.29Å; L453-V511 HydrophobicContact CD2-CG1 4.26Å; L453-V511 HydrophobicContact CD2-CG2 3.74Å
454	K	91.6	Very high	92.9	Very high	125 Å²	125	47.2 Å²	47.2	54%	0.543	25%	0.254	S	S	.	.	H	α-helix	trans	-57.1	-40.9	170.7	-72	167.5	-170.2	152.6	0	112	L450 D451	L450-K454 HydrophobicContact CG-CD 4.43Å; L450-K454 VanDerWaalsContact O-CG 3.29Å; L450-K454 WeakPolarHBondContact O-CG 3.48Å; L450-K454 PolarHBondContact O-N 3.13Å; D451-K454 IonicContact OD1-NZ 3.85Å; D451-K454 PolarHBondContact OD1-NZ 3.02Å
455	T	90.2	Very high	93.1	Very high	126 Å²	126	45 Å²	45	77%	0.773	24%	0.238	S	C	*	.	H	α-helix	trans	-73.8	-34.3	179.7	-53.4	0	0	0	0	112.4	D451 I452 L453 G457	D451-T455 WeakPolarHBondContact O-CB 3.31Å; D451-T455 PolarHBondContact O-N 2.89Å; D451-T455 PolarHBondContact O-OG1 3Å; I452-T455 CarbonylContact O-C 3.42Å; I452-T455 PolarHBondContact O-N 3.32Å; I452-T455 VanDerWaalsContact O-N 3.16Å; L453-T455 VanDerWaalsContact C-N 3.27Å; L453-T455 PolarHBondContact O-N 2.84Å; T455-G457 VanDerWaalsContact C-N 3.34Å
456	T	85.2	Confident	92.9	Very high	17 Å²	17	48 Å²	48	10%	0.104	25%	0.252	C	S	.	.	H	α-helix	trans	-82.4	-13	178.1	-29.7	0	0	0	0	112.4	I452 L453 T458 E459 H529	I452-T456 PolarHBondContact O-N 3Å; I452-T456 PolarHBondContact O-OG1 2.89Å; L453-T456 PolarHBondContact O-N 3.06Å; T456-T458 PolarHBondContact O-N 3.41Å; T456-E459 HydrophobicContact CG2-CB 3.67Å; T456-E459 HydrophobicContact CG2-CG 4.05Å; T456-E459 WeakPolarHBondContact O-CB 3.49Å; T456-E459 WeakPolarHBondContact O-CG 3.48Å; T456-E459 PolarHBondContact O-N 3.03Å; T456-H529 HydrophobicContact CG2-CB 4.21Å; T456-H529 WeakPolarHBondContact CG2-ND1 3.4Å; T456-H529 PolarHBondContact OG1-ND1 3.32Å
457	G	85.8	Confident	92.8	Very high	50 Å²	50	46.7 Å²	46.7	52%	0.515	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	-116.8	170.2	0	0	0	0	0	113.6	L453 T455	L453-G457 PolarHBondContact O-N 2.92Å; T455-G457 VanDerWaalsContact C-N 3.34Å
458	T	86.1	Confident	92.8	Very high	126 Å²	126	44.8 Å²	44.8	77%	0.773	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.8	7	-179.1	55.2	0	0	0	0	113.8	T456	T456-T458 PolarHBondContact O-N 3.41Å
459	E	90.3	Very high	92.8	Very high	48 Å²	48	52.2 Å²	52.2	22%	0.224	27%	0.269	C	S	.	.	S	Bend	trans	-65.5	140.4	176	-66.6	-170.4	-145.1	0	0	112.2	T456 T461 Q528 R557	T456-E459 HydrophobicContact CG2-CB 3.67Å; T456-E459 HydrophobicContact CG2-CG 4.05Å; T456-E459 WeakPolarHBondContact O-CB 3.49Å; T456-E459 WeakPolarHBondContact O-CG 3.48Å; T456-E459 PolarHBondContact O-N 3.03Å; E459-T461 PolarHBondContact O-N 2.86Å; E459-T461 PolarHBondContact O-OG1 2.94Å; E459-Q528 HydrophobicContact CB-CB 4.21Å; E459-Q528 WeakPolarHBondContact OE2-CB 3.41Å; E459-R557 IonicContact OE1-CZ 2.59Å; E459-R557 IonicContact OE1-NH2 3.72Å; E459-R557 PolarHBondContact OE1-NH2 3.1Å; E459-R557 IonicContact OE2-CZ 2.67Å; E459-R557 IonicContact OE2-NH2 3.92Å; E459-R557 PolarHBondContact OE2-NH2 2.91Å
460	R	92.4	Very high	92.7	Very high	49 Å²	49	54.2 Å²	54.2	19%	0.185	28%	0.279	C	S	.	.			trans	-69.6	105.8	-177.7	-92.1	158.4	-68.9	179.6	11.4	110.6	F504 P510 D526 Q528 H529	R460-F504 HydrophobicContact CB-CE1 3.9Å; R460-F504 HydrophobicContact CB-CE2 4.17Å; R460-F504 HydrophobicContact CB-CZ 3.55Å; R460-F504 HydrophobicContact CG-CD1 4.43Å; R460-F504 HydrophobicContact CG-CE1 3.96Å; R460-F504 HydrophobicContact CG-CE2 4.18Å; R460-F504 HydrophobicContact CG-CZ 3.86Å; R460-P510 CarbonylContact C-O 3.35Å; R460-P510 WeakPolarHBondContact CA-O 3.36Å; R460-D526 WeakPolarHBondContact CB-O 3.47Å; R460-D526 IonicContact CZ-OD1 3.82Å; R460-D526 IonicContact CZ-OD2 3.43Å; R460-D526 VanDerWaalsContact NH1-CB 3.28Å; R460-D526 IonicContact NH1-OD1 3.49Å; R460-D526 PolarHBondContact NH1-OD1 3.18Å; R460-D526 IonicContact NH1-OD2 3.69Å; R460-D526 PolarHBondContact NH1-OD2 2.77Å; R460-D526 IonicContact NH2-OD1 3.71Å; R460-D526 PolarHBondContact NH2-OD1 2.7Å; R460-D526 IonicContact NH2-OD2 2.64Å; R460-Q528 VanDerWaalsContact N-OE1 3.12Å; R460-Q528 PolarHBondContact O-N 3.22Å; R460-H529 PolarHBondContact O-N 3.46Å
461	T	94.4	Very high	92.7	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.4	-170	-55.4	0	0	0	0	111.5	L453 E459 V463 P510 V511 L512 H529 V531	L453-T461 HydrophobicContact CD2-CG2 3.62Å; E459-T461 PolarHBondContact O-N 2.86Å; E459-T461 PolarHBondContact O-OG1 2.94Å; T461-V463 HydrophobicContact CG2-CG2 4.31Å; T461-P510 PolarHBondContact N-O 2.84Å; T461-V511 WeakPolarHBondContact O-CA 3.48Å; T461-L512 PolarHBondContact O-N 3.06Å; T461-H529 CarbonylContact C-O 3.59Å; T461-H529 VanDerWaalsContact CA-O 3.29Å; T461-H529 WeakPolarHBondContact CA-O 3.36Å; T461-H529 HydrophobicContact CG2-CB 4.01Å; T461-V531 HydrophobicContact CG2-CG2 3.88Å
462	M	94.3	Very high	92.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.4	178.9	-165.6	169.1	-162.2	0	0	111.1	F464 L512 A514 A519 L522 I524 V527 H529 V530 V531 R548	M462-F464 HydrophobicContact CE-CZ 4.3Å; M462-F464 HydrophobicContact CG-CE2 4.03Å; M462-F464 HydrophobicContact CG-CZ 4.45Å; M462-F464 HydrophobicContact SD-CE2 4.08Å; M462-F464 HydrophobicContact SD-CZ 4.05Å; M462-L512 WeakPolarHBondContact CA-O 3.36Å; M462-L512 HydrophobicContact CE-CD2 3.85Å; M462-L512 HydrophobicContact CE-CG 4.34Å; M462-A514 HydrophobicContact CE-CB 3.74Å; M462-A519 HydrophobicContact CE-CB 3.39Å; M462-L522 HydrophobicContact CE-CD1 4.48Å; M462-I524 HydrophobicContact CE-CD1 3.78Å; M462-I524 HydrophobicContact SD-CD1 3.93Å; M462-V527 HydrophobicContact CB-CG1 4.06Å; M462-H529 PolarHBondContact N-O 3.25Å; M462-V530 CarbonylContact O-C 3.54Å; M462-V530 WeakPolarHBondContact O-CA 3.36Å; M462-V531 PolarHBondContact O-N 3.31Å; M462-R548 HydrophobicContact SD-CB 4.12Å; M462-R548 HydrophobicContact SD-CG 3.87Å
463	V	95.9	Very high	92.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	112.2	-173.1	-175.1	0	0	0	0	110.1	L449 T461 V511 L512 V513 A514 V531 F533	L449-V463 HydrophobicContact CD1-CG1 3.9Å; L449-V463 HydrophobicContact CD1-CG2 3.97Å; L449-V463 HydrophobicContact CD2-CG1 4.15Å; T461-V463 HydrophobicContact CG2-CG2 4.31Å; V463-V511 HydrophobicContact CG2-CG1 3.75Å; V463-L512 PolarHBondContact N-O 2.96Å; V463-V513 HydrophobicContact CB-CG2 4.36Å; V463-V513 CarbonylContact O-C 3.6Å; V463-V513 WeakPolarHBondContact O-CA 3.31Å; V463-A514 PolarHBondContact O-N 3.05Å; V463-V531 CarbonylContact C-O 3.51Å; V463-V531 WeakPolarHBondContact CA-O 3.13Å; V463-V531 HydrophobicContact CG2-CB 4.38Å; V463-F533 HydrophobicContact CG1-CB 4.02Å
464	F	96.3	Very high	93.1	Very high	2 Å²	2	57 Å²	57	1%	0.009	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	128.3	179.7	-76.9	-87.6	0	0	0	112.6	M462 A514 A519 V530 V531 F533 D534 R545 R548	M462-F464 HydrophobicContact CE-CZ 4.3Å; M462-F464 HydrophobicContact CG-CE2 4.03Å; M462-F464 HydrophobicContact CG-CZ 4.45Å; M462-F464 HydrophobicContact SD-CE2 4.08Å; M462-F464 HydrophobicContact SD-CZ 4.05Å; F464-A514 WeakPolarHBondContact CA-O 3.47Å; F464-A519 HydrophobicContact CE1-CB 3.59Å; F464-A519 HydrophobicContact CZ-CB 3.9Å; F464-V530 HydrophobicContact CD2-CG1 3.81Å; F464-V530 HydrophobicContact CE2-CG1 3.88Å; F464-V531 PolarHBondContact N-O 3.15Å; F464-F533 VanDerWaalsContact O-CB 3.3Å; F464-F533 WeakPolarHBondContact O-CB 3.44Å; F464-F533 PolarHBondContact O-N 3.43Å; F464-D534 PolarHBondContact O-N 3.36Å; F464-R545 HydrophobicContact CD1-CB 4.39Å; F464-R545 HydrophobicContact CD1-CG 3.73Å; F464-R545 HydrophobicContact CD2-CB 4.02Å; F464-R545 HydrophobicContact CD2-CG 4.23Å; F464-R545 HydrophobicContact CE1-CB 4.25Å; F464-R545 HydrophobicContact CE1-CG 3.72Å; F464-R545 HydrophobicContact CE2-CB 3.86Å; F464-R545 HydrophobicContact CE2-CG 4.23Å; F464-R545 HydrophobicContact CG-CB 4.28Å; F464-R545 HydrophobicContact CG-CG 3.99Å; F464-R545 HydrophobicContact CZ-CB 3.98Å; F464-R545 HydrophobicContact CZ-CG 3.98Å; F464-R548 HydrophobicContact CE2-CG 4.09Å; F464-R548 HydrophobicContact CZ-CG 3.78Å
465	V	95.9	Very high	93.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153.6	174.3	-66.8	0	0	0	0	110.8	Q470 A471 I474 V513 A514 T515 F533	V465-Q470 HydrophobicContact CB-CB 4.48Å; V465-Q470 HydrophobicContact CB-CG 4.11Å; V465-Q470 HydrophobicContact CG1-CG 4.12Å; V465-A471 HydrophobicContact CG2-CB 3.68Å; V465-I474 HydrophobicContact CG1-CG1 4.36Å; V465-V513 HydrophobicContact CG1-CG1 4.33Å; V465-V513 HydrophobicContact CG2-CG1 4.1Å; V465-A514 PolarHBondContact N-O 3.24Å; V465-T515 HydrophobicContact CG2-CG2 4.36Å; V465-F533 HydrophobicContact CG1-CB 3.88Å; V465-F533 HydrophobicContact CG1-CD1 3.97Å; V465-F533 HydrophobicContact CG1-CG 4.07Å
466	E	92.1	Very high	93.6	Very high	70 Å²	70	49.3 Å²	49.3	33%	0.327	25%	0.253	S	S	.	.	S	Bend	trans	-68.9	-42.8	-177.7	175.9	67.4	177.2	0	0	112.6	D534 K537	E466-D534 HydrophobicContact CB-CB 4.24Å; E466-D534 PolarHBondContact N-OD2 3.1Å; E466-K537 WeakPolarHBondContact OE1-CE 3.32Å; E466-K537 IonicContact OE1-NZ 3.32Å; E466-K537 PolarHBondContact OE1-NZ 3.35Å
467	T	93.8	Very high	94.2	Very high	63 Å²	63	49.8 Å²	49.8	39%	0.387	25%	0.253	S	S	.	.			trans	-114.9	146.8	-168.7	76.6	0	0	0	0	114.5	R469 Q470 A471	T467-R469 PolarHBondContact O-N 2.92Å; T467-Q470 WeakPolarHBondContact O-CB 3.39Å; T467-Q470 PolarHBondContact O-N 3.5Å; T467-Q470 VanDerWaalsContact O-N 3.08Å; T467-Q470 WeakPolarHBondContact OG1-CB 3.29Å; T467-Q470 PolarHBondContact OG1-N 2.91Å; T467-Q470 PolarHBondContact OG1-OE1 2.84Å; T467-A471 PolarHBondContact O-N 3.2Å
468	K	94.2	Very high	94.7	Very high	82 Å²	82	47.4 Å²	47.4	36%	0.357	23%	0.229	S	C	.	.	H	α-helix	trans	-58.2	-46.2	179.9	-54.1	-179	-174.8	171.2	0	112.5	Q470 A471 D472 H489 D491 T515	K468-Q470 PolarHBondContact O-N 2.87Å; K468-A471 WeakPolarHBondContact O-CB 3.36Å; K468-A471 PolarHBondContact O-N 3.28Å; K468-D472 PolarHBondContact O-N 3.49Å; K468-H489 HydrophobicContact CB-CB 4.26Å; K468-H489 HydrophobicContact CG-CB 4.18Å; K468-D491 HydrophobicContact CD-CB 4.18Å; K468-D491 WeakPolarHBondContact CD-OD1 3.25Å; K468-D491 WeakPolarHBondContact CD-OD2 3.37Å; K468-D491 VanDerWaalsContact NZ-CG 3.34Å; K468-D491 IonicContact NZ-OD1 2.65Å; K468-D491 PolarHBondContact NZ-OD1 3.43Å; K468-D491 IonicContact NZ-OD2 3.3Å; K468-D491 PolarHBondContact NZ-OD2 3.26Å; K468-T515 HydrophobicContact CG-CG2 4.34Å
469	R	95.1	Very high	95.1	Very high	220 Å²	220	44.5 Å²	44.5	83%	0.83	21%	0.213	S	C	*	.	H	α-helix	trans	-58.7	-34.2	175.8	-67	-179	179.1	172.5	-0.7	112.6	T467 F473	T467-R469 PolarHBondContact O-N 2.92Å; R469-F473 WeakPolarHBondContact O-CB 3.45Å; R469-F473 PolarHBondContact O-N 3.09Å
470	Q	94.9	Very high	95.4	Very high	42 Å²	42	48.9 Å²	48.9	20%	0.196	23%	0.233	C	C	.	.	H	α-helix	trans	-76.9	-29.1	177.8	-172.7	178	-7.4	0	0	112	V465 T467 K468 F473 I474 D534	V465-Q470 HydrophobicContact CB-CB 4.48Å; V465-Q470 HydrophobicContact CB-CG 4.11Å; V465-Q470 HydrophobicContact CG1-CG 4.12Å; T467-Q470 WeakPolarHBondContact O-CB 3.39Å; T467-Q470 PolarHBondContact O-N 3.5Å; T467-Q470 VanDerWaalsContact O-N 3.08Å; T467-Q470 WeakPolarHBondContact OG1-CB 3.29Å; T467-Q470 PolarHBondContact OG1-N 2.91Å; T467-Q470 PolarHBondContact OG1-OE1 2.84Å; K468-Q470 PolarHBondContact O-N 2.87Å; Q470-F473 PolarHBondContact O-N 2.74Å; Q470-I474 HydrophobicContact CG-CG1 4.2Å; Q470-I474 WeakPolarHBondContact O-CB 3.49Å; Q470-I474 VanDerWaalsContact O-CG1 3.28Å; Q470-I474 WeakPolarHBondContact O-CG1 3.28Å; Q470-I474 PolarHBondContact O-N 2.88Å; Q470-D534 VanDerWaalsContact CD-OD2 3.32Å; Q470-D534 PolarHBondContact NE2-OD2 3.32Å; Q470-D534 PolarHBondContact OE1-OD2 2.97Å
471	A	96.1	Very high	95.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-44.8	172.7	0	0	0	0	0	111.3	V465 T467 K468 A475 V513 T515	V465-A471 HydrophobicContact CG2-CB 3.68Å; T467-A471 PolarHBondContact O-N 3.2Å; K468-A471 WeakPolarHBondContact O-CB 3.36Å; K468-A471 PolarHBondContact O-N 3.28Å; A471-A475 VanDerWaalsContact O-CB 3.24Å; A471-A475 WeakPolarHBondContact O-CB 3.36Å; A471-A475 PolarHBondContact O-N 3.02Å; A471-V513 HydrophobicContact CB-CG1 4.08Å; A471-T515 HydrophobicContact CB-CG2 4.33Å
472	D	95.7	Very high	95.6	Very high	56 Å²	56	59.8 Å²	59.8	30%	0.299	28%	0.283	S	S	.	.	H	α-helix	trans	-66.7	-44.5	173.3	-67	-38.2	0	0	0	112.1	K468 I474 A475 V476 S487 H489	K468-D472 PolarHBondContact O-N 3.49Å; D472-I474 PolarHBondContact O-N 3.24Å; D472-A475 PolarHBondContact O-N 2.67Å; D472-V476 WeakPolarHBondContact O-CB 3.49Å; D472-V476 VanDerWaalsContact O-CG2 3.31Å; D472-V476 WeakPolarHBondContact O-CG2 3.49Å; D472-V476 PolarHBondContact O-N 3.14Å; D472-S487 PolarHBondContact OD1-OG 3.36Å; D472-S487 VanDerWaalsContact OD1-OG 3.09Å; D472-H489 IonicContact OD1-CD2 2.69Å; D472-H489 IonicContact OD1-CE1 2.74Å; D472-H489 CovalentContact OD1-NE2 1.77Å; D472-H489 IonicContact OD1-NE2 3.92Å; D472-H489 PolarHBondContact OD1-NE2 3.34Å; D472-H489 IonicContact OD2-CE1 3.32Å; D472-H489 PolarHBondContact OD2-CE1 2.69Å; D472-H489 IonicContact OD2-NE2 2.67Å; D472-H489 PolarHBondContact OD2-NE2 3.38Å
473	F	96.8	Very high	95.7	Very high	116 Å²	116	61 Å²	61	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-60.3	-46	179.3	175.9	-105	0	0	0	112.9	R469 Q470 F477	R469-F473 WeakPolarHBondContact O-CB 3.45Å; R469-F473 PolarHBondContact O-N 3.09Å; Q470-F473 PolarHBondContact O-N 2.74Å; F473-F477 WeakPolarHBondContact O-CB 3.39Å; F473-F477 PolarHBondContact O-N 2.84Å
474	I	97.2	Very high	95.7	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-69.3	-38.8	177.8	-65	-63.5	0	0	0	110.9	R446 L449 V465 Q470 D472 F477 L478 V513 F533	R446-I474 HydrophobicContact CG-CD1 4.11Å; L449-I474 HydrophobicContact CD2-CG2 3.63Å; V465-I474 HydrophobicContact CG1-CG1 4.36Å; Q470-I474 HydrophobicContact CG-CG1 4.2Å; Q470-I474 WeakPolarHBondContact O-CB 3.49Å; Q470-I474 VanDerWaalsContact O-CG1 3.28Å; Q470-I474 WeakPolarHBondContact O-CG1 3.28Å; Q470-I474 PolarHBondContact O-N 2.88Å; D472-I474 PolarHBondContact O-N 3.24Å; I474-F477 PolarHBondContact O-N 3Å; I474-L478 HydrophobicContact CG2-CD1 3.98Å; I474-L478 HydrophobicContact CG2-CG 4.33Å; I474-L478 WeakPolarHBondContact O-CB 3.49Å; I474-L478 VanDerWaalsContact O-CG 3.31Å; I474-L478 WeakPolarHBondContact O-CG 3.38Å; I474-L478 PolarHBondContact O-N 3.14Å; I474-V513 HydrophobicContact CB-CG1 4.22Å; I474-V513 HydrophobicContact CG2-CG1 4.2Å; I474-V513 HydrophobicContact CG2-CG2 4.08Å; I474-F533 HydrophobicContact CD1-CE1 4.35Å; I474-F533 HydrophobicContact CD1-CE2 3.91Å; I474-F533 HydrophobicContact CD1-CZ 3.74Å; I474-F533 HydrophobicContact CG1-CZ 4.5Å
475	A	96.3	Very high	95.6	Very high	9 Å²	9	64.7 Å²	64.7	7%	0.074	32%	0.315	C	S	.	.	H	α-helix	trans	-64.5	-41.4	175.6	0	0	0	0	0	112.7	A471 D472 C479 T485 V513	A471-A475 VanDerWaalsContact O-CB 3.24Å; A471-A475 WeakPolarHBondContact O-CB 3.36Å; A471-A475 PolarHBondContact O-N 3.02Å; D472-A475 PolarHBondContact O-N 2.67Å; A475-C479 WeakPolarHBondContact O-CB 3.41Å; A475-C479 PolarHBondContact O-N 3.19Å; A475-C479 PolarHBondContact O-SG 2.96Å; A475-C479 VanDerWaalsContact O-SG 3.39Å; A475-T485 HydrophobicContact CB-CG2 3.99Å; A475-V513 HydrophobicContact CB-CB 4.38Å; A475-V513 HydrophobicContact CB-CG2 4.08Å
476	V	97	Very high	95.6	Very high	81 Å²	81	65.5 Å²	65.5	49%	0.491	32%	0.32	S	S	.	.	H	α-helix	trans	-65.2	-44.1	174.9	170.1	0	0	0	0	111.2	D472 C479 Q480	D472-V476 WeakPolarHBondContact O-CB 3.49Å; D472-V476 VanDerWaalsContact O-CG2 3.31Å; D472-V476 WeakPolarHBondContact O-CG2 3.49Å; D472-V476 PolarHBondContact O-N 3.14Å; V476-C479 PolarHBondContact O-N 3.49Å; V476-Q480 WeakPolarHBondContact O-CG 3.43Å; V476-Q480 PolarHBondContact O-N 3.28Å
477	F	97.2	Very high	95.7	Very high	28 Å²	28	62.5 Å²	62.5	12%	0.123	31%	0.307	C	S	.	.	H	α-helix	trans	-58.1	-49.4	175.6	166.5	-114.9	0	0	0	111.9	R446 L450 F473 I474 C479 Q480 E481	R446-F477 HydrophobicContact CB-CE1 4.04Å; R446-F477 HydrophobicContact CB-CZ 4.35Å; L450-F477 HydrophobicContact CD2-CZ 4.35Å; F473-F477 WeakPolarHBondContact O-CB 3.39Å; F473-F477 PolarHBondContact O-N 2.84Å; I474-F477 PolarHBondContact O-N 3Å; F477-C479 VanDerWaalsContact C-N 3.33Å; F477-C479 PolarHBondContact O-N 3.08Å; F477-Q480 WeakPolarHBondContact O-CB 3.32Å; F477-Q480 PolarHBondContact O-N 3.39Å; F477-Q480 VanDerWaalsContact O-N 3.08Å; F477-E481 HydrophobicContact CD2-CG 4.17Å; F477-E481 HydrophobicContact CE2-CG 3.67Å; F477-E481 HydrophobicContact CZ-CG 3.94Å; F477-E481 PolarHBondContact O-N 3.4Å
478	L	96.6	Very high	95.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.6	-37.8	179	-70	175.8	0	0	0	112.5	L449 L450 L453 I474 Q480 E481 K482 V483 T485 V511 V513	L449-L478 HydrophobicContact CD2-CD1 4.11Å; L449-L478 HydrophobicContact CD2-CD2 4.32Å; L450-L478 HydrophobicContact CD1-CD2 4.26Å; L453-L478 HydrophobicContact CD1-CD1 3.66Å; L453-L478 HydrophobicContact CD1-CD2 3.58Å; L453-L478 HydrophobicContact CD1-CG 4.27Å; I474-L478 HydrophobicContact CG2-CD1 3.98Å; I474-L478 HydrophobicContact CG2-CG 4.33Å; I474-L478 WeakPolarHBondContact O-CB 3.49Å; I474-L478 VanDerWaalsContact O-CG 3.31Å; I474-L478 WeakPolarHBondContact O-CG 3.38Å; I474-L478 PolarHBondContact O-N 3.14Å; L478-Q480 VanDerWaalsContact C-N 3.34Å; L478-Q480 PolarHBondContact O-N 3.06Å; L478-E481 CarbonylContact O-C 3.52Å; L478-E481 PolarHBondContact O-N 3.19Å; L478-K482 PolarHBondContact O-N 2.79Å; L478-V483 CarbonylContact C-O 3.54Å; L478-V483 HydrophobicContact CB-CB 4.25Å; L478-V483 WeakPolarHBondContact O-CB 3.37Å; L478-V483 PolarHBondContact O-N 3.09Å; L478-T485 HydrophobicContact CB-CG2 4.17Å; L478-T485 VanDerWaalsContact CB-OG1 3.31Å; L478-T485 WeakPolarHBondContact CB-OG1 3.42Å; L478-T485 HydrophobicContact CD1-CG2 4.01Å; L478-V511 HydrophobicContact CD1-CG1 4Å; L478-V513 HydrophobicContact CD1-CG2 4.29Å
479	C	95.8	Very high	95.6	Very high	65 Å²	65	56.2 Å²	56.2	44%	0.439	27%	0.274	S	S	.	.	H	α-helix	trans	-65.6	-32.7	172.3	-75.6	0	0	0	0	113.4	A475 V476 F477 K482	A475-C479 WeakPolarHBondContact O-CB 3.41Å; A475-C479 PolarHBondContact O-N 3.19Å; A475-C479 PolarHBondContact O-SG 2.96Å; A475-C479 VanDerWaalsContact O-SG 3.39Å; V476-C479 PolarHBondContact O-N 3.49Å; F477-C479 VanDerWaalsContact C-N 3.33Å; F477-C479 PolarHBondContact O-N 3.08Å; C479-K482 PolarHBondContact O-N 3.4Å
480	Q	96.6	Very high	95.2	Very high	139 Å²	139	47.9 Å²	47.9	65%	0.65	26%	0.257	S	S	*	.	H	α-helix	trans	-67.5	-39.9	172.3	-72.5	170	-19.3	0	0	111.5	V476 F477 L478 K482	V476-Q480 WeakPolarHBondContact O-CG 3.43Å; V476-Q480 PolarHBondContact O-N 3.28Å; F477-Q480 WeakPolarHBondContact O-CB 3.32Å; F477-Q480 PolarHBondContact O-N 3.39Å; F477-Q480 VanDerWaalsContact O-N 3.08Å; L478-Q480 VanDerWaalsContact C-N 3.34Å; L478-Q480 PolarHBondContact O-N 3.06Å; Q480-K482 PolarHBondContact O-N 3.34Å; Q480-K482 VanDerWaalsContact O-N 3.14Å
481	E	95.5	Very high	94.9	Very high	94 Å²	94	51 Å²	51	44%	0.439	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	10.3	170.8	-63.1	-60.8	142.6	0	0	113.7	L450 F477 L478 V483	L450-E481 HydrophobicContact CD1-CB 3.76Å; L450-E481 HydrophobicContact CD1-CG 4.1Å; L450-E481 HydrophobicContact CD2-CB 4.35Å; L450-E481 HydrophobicContact CD2-CG 3.88Å; F477-E481 HydrophobicContact CD2-CG 4.17Å; F477-E481 HydrophobicContact CE2-CG 3.67Å; F477-E481 HydrophobicContact CZ-CG 3.94Å; F477-E481 PolarHBondContact O-N 3.4Å; L478-E481 CarbonylContact O-C 3.52Å; L478-E481 PolarHBondContact O-N 3.19Å; E481-V483 PolarHBondContact O-N 3.3Å
482	K	95.2	Very high	94.7	Very high	187 Å²	187	53.4 Å²	53.4	81%	0.813	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	17.4	177.1	-51.1	174.4	-174.6	170.7	0	115.3	L478 C479 Q480 P484	L478-K482 PolarHBondContact O-N 2.79Å; C479-K482 PolarHBondContact O-N 3.4Å; Q480-K482 PolarHBondContact O-N 3.34Å; Q480-K482 VanDerWaalsContact O-N 3.14Å; K482-P484 WeakPolarHBondContact O-CD 3.27Å
483	V	95.4	Very high	94.4	Very high	25 Å²	25	57 Å²	57	15%	0.152	30%	0.299	C	S	.	.			trans	-84.2	115.1	171.8	-178.2	0	0	0	0	108.7	L450 L453 L478 E481 T485 V511	L450-V483 HydrophobicContact CD1-CG2 4.01Å; L453-V483 HydrophobicContact CD1-CG1 4.46Å; L478-V483 CarbonylContact C-O 3.54Å; L478-V483 HydrophobicContact CB-CB 4.25Å; L478-V483 WeakPolarHBondContact O-CB 3.37Å; L478-V483 PolarHBondContact O-N 3.09Å; E481-V483 PolarHBondContact O-N 3.3Å; V483-T485 PolarHBondContact O-N 3.34Å; V483-T485 PolarHBondContact O-OG1 3.21Å; V483-V511 HydrophobicContact CG1-CG2 3.66Å
484	P	95.3	Very high	94	Very high	68 Å²	68	51.9 Å²	51.9	44%	0.442	28%	0.277	S	S	.	.			trans	-68.4	108.8	-173.8	-17.1	30.8	0	0	0	111.4	K482 C509 P510 V511	K482-P484 WeakPolarHBondContact O-CD 3.27Å; P484-C509 CarbonylContact O-C 3.5Å; P484-C509 WeakPolarHBondContact O-CA 3.31Å; P484-P510 WeakPolarHBondContact O-CD 3.35Å; P484-V511 PolarHBondContact O-N 3.39Å
485	T	95.9	Very high	93.7	Very high	12 Å²	12	59 Å²	59	7%	0.074	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	152.5	-164.5	-55.7	0	0	0	0	111.4	A475 L478 V483 V511 V513	A475-T485 HydrophobicContact CB-CG2 3.99Å; L478-T485 HydrophobicContact CB-CG2 4.17Å; L478-T485 VanDerWaalsContact CB-OG1 3.31Å; L478-T485 WeakPolarHBondContact CB-OG1 3.42Å; L478-T485 HydrophobicContact CD1-CG2 4.01Å; V483-T485 PolarHBondContact O-N 3.34Å; V483-T485 PolarHBondContact O-OG1 3.21Å; T485-V511 WeakPolarHBondContact CA-O 3.33Å; T485-V511 HydrophobicContact CG2-CB 4.05Å; T485-V511 HydrophobicContact CG2-CG1 4.02Å; T485-V513 HydrophobicContact CG2-CG2 3.67Å
486	T	95.3	Very high	93.5	Very high	17 Å²	17	61.7 Å²	61.7	10%	0.104	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	162	169.3	-169.1	0	0	0	0	111.2	A500 C509 V511 L512 V513	T486-A500 HydrophobicContact CG2-CB 3.91Å; T486-A500 WeakPolarHBondContact OG1-CB 3.31Å; T486-C509 HydrophobicContact CG2-CB 4.03Å; T486-V511 PolarHBondContact N-O 2.94Å; T486-L512 HydrophobicContact CG2-CD1 3.88Å; T486-L512 WeakPolarHBondContact O-CA 3.4Å; T486-V513 PolarHBondContact O-N 3.06Å
487	S	94.9	Very high	93.2	Very high	7 Å²	7	58.4 Å²	58.4	5%	0.049	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.4	-176.6	66.4	0	0	0	0	113.1	D472 H489 R492 V513	D472-S487 PolarHBondContact OD1-OG 3.36Å; D472-S487 VanDerWaalsContact OD1-OG 3.09Å; S487-H489 PolarHBondContact OG-NE2 3.29Å; S487-R492 VanDerWaalsContact O-CD 3.28Å; S487-R492 WeakPolarHBondContact O-CD 3.47Å; S487-R492 PolarHBondContact O-NH1 2.75Å; S487-R492 WeakPolarHBondContact OG-CD 3.34Å; S487-R492 PolarHBondContact OG-NH1 3.23Å; S487-V513 CarbonylContact C-O 3.59Å; S487-V513 VanDerWaalsContact CA-O 3.25Å; S487-V513 WeakPolarHBondContact CA-O 3.49Å
488	I	91.9	Very high	92.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	119.4	171	-162.1	-177.8	0	0	0	111.9	R497 L501 L512 V513 A514 T515 A518	I488-R497 HydrophobicContact CD1-CB 4.16Å; I488-R497 HydrophobicContact CG1-CB 4.01Å; I488-R497 HydrophobicContact CG1-CG 3.95Å; I488-L501 HydrophobicContact CD1-CD1 4.02Å; I488-L501 HydrophobicContact CD1-CD2 4.09Å; I488-L501 HydrophobicContact CD1-CG 3.96Å; I488-L512 HydrophobicContact CB-CD1 4.03Å; I488-L512 HydrophobicContact CG2-CD1 3.75Å; I488-L512 HydrophobicContact CG2-CD2 4.37Å; I488-L512 HydrophobicContact CG2-CG 4.18Å; I488-V513 PolarHBondContact N-O 3.19Å; I488-A514 HydrophobicContact CG2-CB 3.65Å; I488-A514 WeakPolarHBondContact O-CA 3.25Å; I488-T515 PolarHBondContact O-N 3.05Å; I488-A518 HydrophobicContact CG1-CB 4.21Å; I488-A518 HydrophobicContact CG2-CB 4.45Å
489	H	92.1	Very high	92.5	Very high	12 Å²	12	62.9 Å²	62.9	6%	0.056	32%	0.317	C	S	.	.			trans	-157.9	170.7	177.1	55.3	90	0	0	0	109.9	K468 D472 S487 D491 R492 R497 T515	K468-H489 HydrophobicContact CB-CB 4.26Å; K468-H489 HydrophobicContact CG-CB 4.18Å; D472-H489 IonicContact OD1-CD2 2.69Å; D472-H489 IonicContact OD1-CE1 2.74Å; D472-H489 CovalentContact OD1-NE2 1.77Å; D472-H489 IonicContact OD1-NE2 3.92Å; D472-H489 PolarHBondContact OD1-NE2 3.34Å; D472-H489 IonicContact OD2-CE1 3.32Å; D472-H489 PolarHBondContact OD2-CE1 2.69Å; D472-H489 IonicContact OD2-NE2 2.67Å; D472-H489 PolarHBondContact OD2-NE2 3.38Å; S487-H489 PolarHBondContact OG-NE2 3.29Å; H489-D491 PolarHBondContact ND1-N 2.87Å; H489-D491 PolarHBondContact O-N 2.95Å; H489-R492 PolarHBondContact O-N 2.85Å; H489-R497 WeakPolarHBondContact O-CD 3.48Å; H489-R497 PolarHBondContact O-NE 2.95Å; H489-T515 HydrophobicContact CB-CG2 4.06Å
490	G	86.8	Confident	92.3	Very high	46 Å²	46	59.8 Å²	59.8	47%	0.474	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-4.9	-170.8	0	0	0	0	0	116.8
491	D	89.8	Confident	91.9	Very high	108 Å²	108	53.7 Å²	53.7	58%	0.578	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-10	176.9	-67.3	-12.3	0	0	0	113.1	K468 H489	K468-D491 HydrophobicContact CD-CB 4.18Å; K468-D491 WeakPolarHBondContact CD-OD1 3.25Å; K468-D491 WeakPolarHBondContact CD-OD2 3.37Å; K468-D491 VanDerWaalsContact NZ-CG 3.34Å; K468-D491 IonicContact NZ-OD1 2.65Å; K468-D491 PolarHBondContact NZ-OD1 3.43Å; K468-D491 IonicContact NZ-OD2 3.3Å; K468-D491 PolarHBondContact NZ-OD2 3.26Å; H489-D491 PolarHBondContact ND1-N 2.87Å; H489-D491 PolarHBondContact O-N 2.95Å
492	R	90.4	Very high	91.5	Very high	50 Å²	50	53 Å²	53	19%	0.189	27%	0.27	C	S	.	.	S	Bend	trans	-74	149.3	172.6	-63.1	-157	74.2	176.8	7.7	111.7	S487 H489 E496 R497	S487-R492 VanDerWaalsContact O-CD 3.28Å; S487-R492 WeakPolarHBondContact O-CD 3.47Å; S487-R492 PolarHBondContact O-NH1 2.75Å; S487-R492 WeakPolarHBondContact OG-CD 3.34Å; S487-R492 PolarHBondContact OG-NH1 3.23Å; H489-R492 PolarHBondContact O-N 2.85Å; R492-E496 WeakPolarHBondContact CA-OE2 3.37Å; R492-E496 HydrophobicContact CB-CB 4.25Å; R492-E496 WeakPolarHBondContact CB-OE2 3.43Å; R492-E496 IonicContact CZ-OE1 2.66Å; R492-E496 IonicContact NE-OE1 2.75Å; R492-E496 PolarHBondContact NE-OE1 3.27Å; R492-E496 IonicContact NE-OE2 3.69Å; R492-E496 PolarHBondContact NE-OE2 2.71Å; R492-E496 IonicContact NH2-OE1 3.67Å; R492-E496 PolarHBondContact NH2-OE1 3.26Å; R492-R497 HydrophobicContact CB-CG 3.72Å
493	E	90.5	Very high	91.4	Very high	132 Å²	132	45.1 Å²	45.1	62%	0.617	24%	0.237	S	C	*	.			trans	-63.2	152.2	174	-62	-164	151.5	0	0	111.1	R495 E496 R497	E493-R495 VanDerWaalsContact C-N 3.25Å; E493-R495 PolarHBondContact O-N 3.07Å; E493-E496 HydrophobicContact CB-CG 4.1Å; E493-E496 PolarHBondContact N-OE2 3.45Å; E493-E496 WeakPolarHBondContact O-CB 3.27Å; E493-E496 PolarHBondContact O-N 2.87Å; E493-R497 WeakPolarHBondContact O-CG 3.15Å; E493-R497 PolarHBondContact O-N 2.95Å
494	Q	88.8	Confident	91.2	Very high	8 Å²	8	44 Å²	44	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-38	-178.4	-171.4	56.3	29.7	0	0	112.5	Y164 E294 Y318 G320 V321 E496 R497 E498	Y164-Q494 HydrophobicContact CD1-CB 4.11Å; Y164-Q494 HydrophobicContact CD1-CG 4.26Å; Y164-Q494 HydrophobicContact CE1-CB 4.4Å; Y164-Q494 HydrophobicContact CE1-CG 4.23Å; E294-Q494 PolarHBondContact OE1-NE2 3.26Å; E294-Q494 PolarHBondContact OE1-OE1 3.28Å; Y318-Q494 HydrophobicContact CE2-CG 4.15Å; G320-Q494 VanDerWaalsContact O-CB 3.29Å; G320-Q494 WeakPolarHBondContact O-CB 3.34Å; V321-Q494 HydrophobicContact CG2-CG 4.3Å; Q494-E496 VanDerWaalsContact C-N 3.32Å; Q494-E496 PolarHBondContact O-N 3.47Å; Q494-R497 PolarHBondContact O-N 3.13Å; Q494-R497 VanDerWaalsContact OE1-NH1 3.13Å; Q494-E498 VanDerWaalsContact CG-OE1 3.23Å; Q494-E498 WeakPolarHBondContact CG-OE1 3.49Å; Q494-E498 PolarHBondContact NE2-OE1 3.44Å; Q494-E498 PolarHBondContact O-N 3.35Å
495	R	90.6	Very high	90.7	Very high	152 Å²	152	45.5 Å²	45.5	57%	0.574	23%	0.227	S	C	*	.	H	α-helix	trans	-58.4	-40.4	172.5	-177.6	176.6	173.9	-112.1	-3.1	112.8	Y164 E493 L499	Y164-R495 HydrophobicContact CD1-CB 4.36Å; Y164-R495 HydrophobicContact CD2-CB 3.82Å; Y164-R495 HydrophobicContact CD2-CG 4.2Å; Y164-R495 HydrophobicContact CE1-CB 4.13Å; Y164-R495 HydrophobicContact CE2-CB 3.59Å; Y164-R495 HydrophobicContact CE2-CG 3.67Å; Y164-R495 HydrophobicContact CG-CB 4.21Å; E493-R495 VanDerWaalsContact C-N 3.25Å; E493-R495 PolarHBondContact O-N 3.07Å; R495-L499 VanDerWaalsContact O-CB 3.28Å; R495-L499 WeakPolarHBondContact O-CB 3.3Å; R495-L499 PolarHBondContact O-N 2.98Å
496	E	92	Very high	90.3	Very high	65 Å²	65	48.8 Å²	48.8	30%	0.304	25%	0.25	S	S	.	.	H	α-helix	trans	-70.4	-39	177.8	-64.5	-176.9	106.3	0	0	111.9	R492 E493 Q494 L499 A500	R492-E496 WeakPolarHBondContact CA-OE2 3.37Å; R492-E496 HydrophobicContact CB-CB 4.25Å; R492-E496 WeakPolarHBondContact CB-OE2 3.43Å; R492-E496 IonicContact CZ-OE1 2.66Å; R492-E496 IonicContact NE-OE1 2.75Å; R492-E496 PolarHBondContact NE-OE1 3.27Å; R492-E496 IonicContact NE-OE2 3.69Å; R492-E496 PolarHBondContact NE-OE2 2.71Å; R492-E496 IonicContact NH2-OE1 3.67Å; R492-E496 PolarHBondContact NH2-OE1 3.26Å; E493-E496 HydrophobicContact CB-CG 4.1Å; E493-E496 PolarHBondContact N-OE2 3.45Å; E493-E496 WeakPolarHBondContact O-CB 3.27Å; E493-E496 PolarHBondContact O-N 2.87Å; Q494-E496 VanDerWaalsContact C-N 3.32Å; Q494-E496 PolarHBondContact O-N 3.47Å; E496-L499 PolarHBondContact O-N 3.01Å; E496-A500 VanDerWaalsContact O-CB 3.29Å; E496-A500 WeakPolarHBondContact O-CB 3.47Å; E496-A500 PolarHBondContact O-N 3.1Å
497	R	90.3	Very high	90	Very high	12 Å²	12	49.6 Å²	49.6	5%	0.045	26%	0.262	C	S	.	.	H	α-helix	trans	-66.4	-41.2	179.2	-63.2	178.3	69.5	-118	-9.1	111	E294 I488 H489 R492 E493 Q494 A500 L501	E294-R497 IonicContact OE1-CZ 2.7Å; E294-R497 VanDerWaalsContact OE1-CZ 3.3Å; E294-R497 IonicContact OE1-NH1 3.71Å; E294-R497 PolarHBondContact OE1-NH1 3.12Å; E294-R497 IonicContact OE1-NH2 2.79Å; E294-R497 PolarHBondContact OE1-NH2 3.38Å; E294-R497 IonicContact OE2-CZ 3.18Å; E294-R497 IonicContact OE2-NH1 3.56Å; E294-R497 PolarHBondContact OE2-NH1 3.43Å; E294-R497 VanDerWaalsContact OE2-NH1 3.08Å; E294-R497 IonicContact OE2-NH2 2.68Å; E294-R497 PolarHBondContact OE2-NH2 3.39Å; I488-R497 HydrophobicContact CD1-CB 4.16Å; I488-R497 HydrophobicContact CG1-CB 4.01Å; I488-R497 HydrophobicContact CG1-CG 3.95Å; H489-R497 WeakPolarHBondContact O-CD 3.48Å; H489-R497 PolarHBondContact O-NE 2.95Å; R492-R497 HydrophobicContact CB-CG 3.72Å; E493-R497 WeakPolarHBondContact O-CG 3.15Å; E493-R497 PolarHBondContact O-N 2.95Å; Q494-R497 PolarHBondContact O-N 3.13Å; Q494-R497 VanDerWaalsContact OE1-NH1 3.13Å; R497-A500 PolarHBondContact O-N 2.86Å; R497-L501 WeakPolarHBondContact O-CG 3.5Å; R497-L501 PolarHBondContact O-N 3.42Å
498	E	87.6	Confident	89.8	Confident	32 Å²	32	55.4 Å²	55.4	15%	0.15	29%	0.287	C	S	.	.	H	α-helix	trans	-68	-38.9	173.6	-73.7	169.2	-144.8	0	0	112.2	Y164 Y318 Q494 T502	Y164-E498 PolarHBondContact OH-OE2 3.15Å; Y318-E498 PolarHBondContact OH-OE1 3.32Å; Q494-E498 VanDerWaalsContact CG-OE1 3.23Å; Q494-E498 WeakPolarHBondContact CG-OE1 3.49Å; Q494-E498 PolarHBondContact NE2-OE1 3.44Å; Q494-E498 PolarHBondContact O-N 3.35Å; E498-T502 WeakPolarHBondContact O-CB 3.41Å; E498-T502 PolarHBondContact O-N 3.31Å; E498-T502 PolarHBondContact O-OG1 3Å
499	L	90.8	Very high	89.9	Confident	89 Å²	89	56.2 Å²	56.2	47%	0.466	29%	0.292	S	S	.	.	H	α-helix	trans	-65.5	-42.1	173.5	-179.8	60.8	0	0	0	112.1	R495 E496 L501 T502 D503	R495-L499 VanDerWaalsContact O-CB 3.28Å; R495-L499 WeakPolarHBondContact O-CB 3.3Å; R495-L499 PolarHBondContact O-N 2.98Å; E496-L499 PolarHBondContact O-N 3.01Å; L499-L501 VanDerWaalsContact C-N 3.35Å; L499-L501 PolarHBondContact O-N 2.91Å; L499-T502 WeakPolarHBondContact O-CB 3.26Å; L499-T502 PolarHBondContact O-N 3.08Å; L499-T502 VanDerWaalsContact O-N 3.1Å; L499-D503 WeakPolarHBondContact O-CB 3.43Å; L499-D503 PolarHBondContact O-N 2.83Å
500	A	91.6	Very high	90	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-41.8	178.5	0	0	0	0	0	112	T486 E496 R497 T502 F504	T486-A500 HydrophobicContact CG2-CB 3.91Å; T486-A500 WeakPolarHBondContact OG1-CB 3.31Å; E496-A500 VanDerWaalsContact O-CB 3.29Å; E496-A500 WeakPolarHBondContact O-CB 3.47Å; E496-A500 PolarHBondContact O-N 3.1Å; R497-A500 PolarHBondContact O-N 2.86Å; A500-T502 VanDerWaalsContact C-N 3.33Å; A500-F504 WeakPolarHBondContact O-CB 3.27Å; A500-F504 PolarHBondContact O-N 3.13Å
501	L	88.8	Confident	90.4	Very high	11 Å²	11	54.3 Å²	54.3	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-67.7	-33.1	173.6	-66.5	173.6	0	0	0	112.4	E294 I488 R497 L499 R505 L512 L522 I524	E294-L501 HydrophobicContact CB-CD1 4.37Å; E294-L501 HydrophobicContact CG-CD1 3.78Å; I488-L501 HydrophobicContact CD1-CD1 4.02Å; I488-L501 HydrophobicContact CD1-CD2 4.09Å; I488-L501 HydrophobicContact CD1-CG 3.96Å; R497-L501 WeakPolarHBondContact O-CG 3.5Å; R497-L501 PolarHBondContact O-N 3.42Å; L499-L501 VanDerWaalsContact C-N 3.35Å; L499-L501 PolarHBondContact O-N 2.91Å; L501-R505 VanDerWaalsContact O-CB 3.3Å; L501-R505 WeakPolarHBondContact O-CB 3.4Å; L501-R505 WeakPolarHBondContact O-CD 3.35Å; L501-R505 WeakPolarHBondContact O-CG 2.99Å; L501-R505 PolarHBondContact O-N 3.1Å; L501-L512 HydrophobicContact CD2-CD2 3.92Å; L501-L522 HydrophobicContact CD1-CD1 4.46Å; L501-L522 HydrophobicContact CD1-CD2 4.45Å; L501-L522 HydrophobicContact CD2-CD1 3.86Å; L501-I524 HydrophobicContact CD2-CD1 3.82Å; L501-I524 HydrophobicContact CD2-CG1 4.31Å
502	T	88.3	Confident	90.7	Very high	80 Å²	80	49.1 Å²	49.1	49%	0.491	25%	0.245	S	C	.	.	H	α-helix	trans	-70.1	-45.3	176.5	-55.7	0	0	0	0	111.7	E498 L499 A500 F504 R505 S506	E498-T502 WeakPolarHBondContact O-CB 3.41Å; E498-T502 PolarHBondContact O-N 3.31Å; E498-T502 PolarHBondContact O-OG1 3Å; L499-T502 WeakPolarHBondContact O-CB 3.26Å; L499-T502 PolarHBondContact O-N 3.08Å; L499-T502 VanDerWaalsContact O-N 3.1Å; A500-T502 VanDerWaalsContact C-N 3.33Å; T502-F504 VanDerWaalsContact C-N 3.33Å; T502-F504 PolarHBondContact O-N 3.09Å; T502-R505 PolarHBondContact O-N 3.4Å; T502-S506 WeakPolarHBondContact O-CB 3.05Å; T502-S506 PolarHBondContact O-N 3.15Å; T502-S506 PolarHBondContact O-OG 3.49Å
503	D	92.1	Very high	91	Very high	21 Å²	21	46.8 Å²	46.8	11%	0.112	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-35.1	176.1	-80.1	-5.6	0	0	0	112.4	L499 S506 G507 K508 C509	L499-D503 WeakPolarHBondContact O-CB 3.43Å; L499-D503 PolarHBondContact O-N 2.83Å; D503-S506 WeakPolarHBondContact CA-OG 3.27Å; D503-S506 PolarHBondContact O-OG 2.98Å; D503-G507 PolarHBondContact O-N 3.12Å; D503-K508 PolarHBondContact O-N 2.93Å; D503-K508 WeakPolarHBondContact OD1-CD 3.47Å; D503-K508 IonicContact OD1-NZ 2.98Å; D503-K508 PolarHBondContact OD1-NZ 2.89Å; D503-K508 IonicContact OD2-NZ 2.75Å; D503-K508 PolarHBondContact OD2-NZ 3.36Å; D503-C509 HydrophobicContact CB-CB 4.34Å; D503-C509 PolarHBondContact O-N 2.69Å
504	F	91.3	Very high	91.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-73.1	-48.4	174.9	-176.2	-90.8	0	0	0	112.6	R460 A500 T502 S506 G507 C509 P510 L512 I524 V527	R460-F504 HydrophobicContact CB-CE1 3.9Å; R460-F504 HydrophobicContact CB-CE2 4.17Å; R460-F504 HydrophobicContact CB-CZ 3.55Å; R460-F504 HydrophobicContact CG-CD1 4.43Å; R460-F504 HydrophobicContact CG-CE1 3.96Å; R460-F504 HydrophobicContact CG-CE2 4.18Å; R460-F504 HydrophobicContact CG-CZ 3.86Å; A500-F504 WeakPolarHBondContact O-CB 3.27Å; A500-F504 PolarHBondContact O-N 3.13Å; T502-F504 VanDerWaalsContact C-N 3.33Å; T502-F504 PolarHBondContact O-N 3.09Å; F504-S506 VanDerWaalsContact C-N 3.29Å; F504-S506 PolarHBondContact O-N 3.19Å; F504-G507 PolarHBondContact O-N 2.98Å; F504-C509 WeakPolarHBondContact CA-O 3.39Å; F504-C509 VanDerWaalsContact CD2-O 3.32Å; F504-C509 WeakPolarHBondContact CD2-O 3.3Å; F504-P510 WeakPolarHBondContact CE2-O 3.42Å; F504-L512 HydrophobicContact CB-CB 4.35Å; F504-L512 HydrophobicContact CB-CD2 4.39Å; F504-L512 HydrophobicContact CD1-CD2 4.46Å; F504-L512 HydrophobicContact CD2-CB 3.3Å; F504-L512 HydrophobicContact CD2-CD2 4.4Å; F504-L512 HydrophobicContact CD2-CG 4.46Å; F504-L512 HydrophobicContact CE2-CB 3.59Å; F504-L512 HydrophobicContact CG-CB 3.88Å; F504-L512 HydrophobicContact CG-CD2 4.17Å; F504-L512 HydrophobicContact CZ-CB 4.42Å; F504-I524 HydrophobicContact CD1-CG2 3.45Å; F504-I524 VanDerWaalsContact CD1-CG2 3.45Å; F504-I524 HydrophobicContact CE1-CG2 3.48Å; F504-I524 VanDerWaalsContact CE1-CG2 3.48Å; F504-V527 HydrophobicContact CE1-CG2 3.92Å; F504-V527 HydrophobicContact CZ-CG2 4.23Å
505	R	85.3	Confident	91.3	Very high	100 Å²	100	40.5 Å²	40.5	38%	0.377	21%	0.207	S	C	.	.	H	α-helix	trans	-58.6	-40.9	179.1	-76.6	170	175.5	-179.9	-5.2	112.1	L501 T502 G507 D523 I524 P525	L501-R505 VanDerWaalsContact O-CB 3.3Å; L501-R505 WeakPolarHBondContact O-CB 3.4Å; L501-R505 WeakPolarHBondContact O-CD 3.35Å; L501-R505 WeakPolarHBondContact O-CG 2.99Å; L501-R505 PolarHBondContact O-N 3.1Å; T502-R505 PolarHBondContact O-N 3.4Å; R505-G507 PolarHBondContact O-N 3.38Å; R505-D523 PolarHBondContact NH2-O 2.98Å; R505-I524 HydrophobicContact CG-CG2 4.22Å; R505-P525 HydrophobicContact CG-CG 4.23Å
506	S	87.4	Confident	90.5	Very high	81 Å²	81	33.6 Å²	33.6	57%	0.566	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-3.8	176.9	57.8	0	0	0	0	114.7	T502 D503 F504 K508	T502-S506 WeakPolarHBondContact O-CB 3.05Å; T502-S506 PolarHBondContact O-N 3.15Å; T502-S506 PolarHBondContact O-OG 3.49Å; D503-S506 WeakPolarHBondContact CA-OG 3.27Å; D503-S506 PolarHBondContact O-OG 2.98Å; F504-S506 VanDerWaalsContact C-N 3.29Å; F504-S506 PolarHBondContact O-N 3.19Å; S506-K508 PolarHBondContact O-N 3.29Å
507	G	88.5	Confident	89.2	Confident	35 Å²	35	34.1 Å²	34.1	36%	0.361	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	3.1	-177	0	0	0	0	0	114.9	D503 F504 R505 C509	D503-G507 PolarHBondContact O-N 3.12Å; F504-G507 PolarHBondContact O-N 2.98Å; R505-G507 PolarHBondContact O-N 3.38Å; G507-C509 VanDerWaalsContact C-N 3.31Å; G507-C509 PolarHBondContact O-N 3.42Å
508	K	92	Very high	87.8	Confident	129 Å²	129	33.6 Å²	33.6	56%	0.561	19%	0.188	S	C	*	.	S	Bend	trans	-63.4	-36.1	176.6	168	167.9	168.4	-95.2	0	112.4	D503 S506	D503-K508 PolarHBondContact O-N 2.93Å; D503-K508 WeakPolarHBondContact OD1-CD 3.47Å; D503-K508 IonicContact OD1-NZ 2.98Å; D503-K508 PolarHBondContact OD1-NZ 2.89Å; D503-K508 IonicContact OD2-NZ 2.75Å; D503-K508 PolarHBondContact OD2-NZ 3.36Å; S506-K508 PolarHBondContact O-N 3.29Å
509	C	93.6	Very high	86.4	Confident	17 Å²	17	32.1 Å²	32.1	12%	0.115	18%	0.181	C	C	.	.	S	Bend	trans	-125.4	91	166.2	-66.2	0	0	0	0	108.6	P484 T486 D503 F504 G507 V511	P484-C509 CarbonylContact O-C 3.5Å; P484-C509 WeakPolarHBondContact O-CA 3.31Å; T486-C509 HydrophobicContact CG2-CB 4.03Å; D503-C509 HydrophobicContact CB-CB 4.34Å; D503-C509 PolarHBondContact O-N 2.69Å; F504-C509 WeakPolarHBondContact CA-O 3.39Å; F504-C509 VanDerWaalsContact CD2-O 3.32Å; F504-C509 WeakPolarHBondContact CD2-O 3.3Å; G507-C509 VanDerWaalsContact C-N 3.31Å; G507-C509 PolarHBondContact O-N 3.42Å; C509-V511 PolarHBondContact O-N 3.38Å
510	P	93.7	Very high	85.3	Confident	13 Å²	13	28.7 Å²	28.7	8%	0.084	16%	0.162	C	C	.	.			trans	-67.7	-4.7	-177.7	29.1	-35.7	0	0	0	113.6	R460 T461 P484 F504	R460-P510 CarbonylContact C-O 3.35Å; R460-P510 WeakPolarHBondContact CA-O 3.36Å; T461-P510 PolarHBondContact N-O 2.84Å; P484-P510 WeakPolarHBondContact O-CD 3.35Å; F504-P510 WeakPolarHBondContact CE2-O 3.42Å
511	V	95.5	Very high	83.9	Confident	4 Å²	4	29 Å²	29	2%	0.024	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.7	173.1	-170.1	0	0	0	0	111.4	L453 T461 V463 L478 V483 P484 T485 T486 C509	L453-V511 HydrophobicContact CD1-CG1 4.21Å; L453-V511 HydrophobicContact CD1-CG2 4.29Å; L453-V511 HydrophobicContact CD2-CG1 4.26Å; L453-V511 HydrophobicContact CD2-CG2 3.74Å; T461-V511 WeakPolarHBondContact O-CA 3.48Å; V463-V511 HydrophobicContact CG2-CG1 3.75Å; L478-V511 HydrophobicContact CD1-CG1 4Å; V483-V511 HydrophobicContact CG1-CG2 3.66Å; P484-V511 PolarHBondContact O-N 3.39Å; T485-V511 WeakPolarHBondContact CA-O 3.33Å; T485-V511 HydrophobicContact CG2-CB 4.05Å; T485-V511 HydrophobicContact CG2-CG1 4.02Å; T486-V511 PolarHBondContact N-O 2.94Å; C509-V511 PolarHBondContact O-N 3.38Å
512	L	95.1	Very high	82.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	110	176.1	173.8	62.3	0	0	0	110.2	T461 M462 V463 T486 I488 L501 F504 I524	T461-L512 PolarHBondContact O-N 3.06Å; M462-L512 WeakPolarHBondContact CA-O 3.36Å; M462-L512 HydrophobicContact CE-CD2 3.85Å; M462-L512 HydrophobicContact CE-CG 4.34Å; V463-L512 PolarHBondContact N-O 2.96Å; T486-L512 HydrophobicContact CG2-CD1 3.88Å; T486-L512 WeakPolarHBondContact O-CA 3.4Å; I488-L512 HydrophobicContact CB-CD1 4.03Å; I488-L512 HydrophobicContact CG2-CD1 3.75Å; I488-L512 HydrophobicContact CG2-CD2 4.37Å; I488-L512 HydrophobicContact CG2-CG 4.18Å; L501-L512 HydrophobicContact CD2-CD2 3.92Å; F504-L512 HydrophobicContact CB-CB 4.35Å; F504-L512 HydrophobicContact CB-CD2 4.39Å; F504-L512 HydrophobicContact CD1-CD2 4.46Å; F504-L512 HydrophobicContact CD2-CB 3.3Å; F504-L512 HydrophobicContact CD2-CD2 4.4Å; F504-L512 HydrophobicContact CD2-CG 4.46Å; F504-L512 HydrophobicContact CE2-CB 3.59Å; F504-L512 HydrophobicContact CG-CB 3.88Å; F504-L512 HydrophobicContact CG-CD2 4.17Å; F504-L512 HydrophobicContact CZ-CB 4.42Å; L512-I524 HydrophobicContact CD2-CD1 3.74Å
513	V	96.3	Very high	82	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.5	176.3	-169.4	0	0	0	0	109.5	V463 V465 A471 I474 A475 L478 T485 T486 S487 I488	V463-V513 HydrophobicContact CB-CG2 4.36Å; V463-V513 CarbonylContact O-C 3.6Å; V463-V513 WeakPolarHBondContact O-CA 3.31Å; V465-V513 HydrophobicContact CG1-CG1 4.33Å; V465-V513 HydrophobicContact CG2-CG1 4.1Å; A471-V513 HydrophobicContact CB-CG1 4.08Å; I474-V513 HydrophobicContact CB-CG1 4.22Å; I474-V513 HydrophobicContact CG2-CG1 4.2Å; I474-V513 HydrophobicContact CG2-CG2 4.08Å; A475-V513 HydrophobicContact CB-CB 4.38Å; A475-V513 HydrophobicContact CB-CG2 4.08Å; L478-V513 HydrophobicContact CD1-CG2 4.29Å; T485-V513 HydrophobicContact CG2-CG2 3.67Å; T486-V513 PolarHBondContact O-N 3.06Å; S487-V513 CarbonylContact C-O 3.59Å; S487-V513 VanDerWaalsContact CA-O 3.25Å; S487-V513 WeakPolarHBondContact CA-O 3.49Å; I488-V513 PolarHBondContact N-O 3.19Å
514	A	93.9	Very high	81	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.1	-170.9	0	0	0	0	0	113.2	M462 V463 F464 V465 I488 A519	M462-A514 HydrophobicContact CE-CB 3.74Å; V463-A514 PolarHBondContact O-N 3.05Å; F464-A514 WeakPolarHBondContact CA-O 3.47Å; V465-A514 PolarHBondContact N-O 3.24Å; I488-A514 HydrophobicContact CG2-CB 3.65Å; I488-A514 WeakPolarHBondContact O-CA 3.25Å; A514-A519 HydrophobicContact CB-CB 3.96Å
515	T	91.8	Very high	79.8	Confident	9 Å²	9	28.8 Å²	28.8	6%	0.055	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	147	156	64.7	0	0	0	0	109.9	V465 K468 A471 I488 H489 V517 A518 A519	V465-T515 HydrophobicContact CG2-CG2 4.36Å; K468-T515 HydrophobicContact CG-CG2 4.34Å; A471-T515 HydrophobicContact CB-CG2 4.33Å; I488-T515 PolarHBondContact O-N 3.05Å; H489-T515 HydrophobicContact CB-CG2 4.06Å; T515-V517 VanDerWaalsContact C-N 3.26Å; T515-V517 PolarHBondContact O-N 2.83Å; T515-V517 VanDerWaalsContact O-N 3.15Å; T515-A518 PolarHBondContact O-N 3.28Å; T515-A519 PolarHBondContact O-N 2.93Å
516	S	74.3	Confident	79.1	Confident	7 Å²	7	26.4 Å²	26.4	5%	0.049	16%	0.158	C	C	.	.	H	α-helix	trans	-52.2	-42.1	-173.5	-44.3	0	0	0	0	113.9	A518 A519 R520 E541 R545	S516-A518 PolarHBondContact O-N 3.38Å; S516-A519 PolarHBondContact O-N 2.86Å; S516-R520 WeakPolarHBondContact O-CG 3.43Å; S516-R520 PolarHBondContact O-N 3.09Å; S516-E541 WeakPolarHBondContact CB-OE1 3.43Å; S516-E541 PolarHBondContact OG-OE1 3.19Å; S516-R545 PolarHBondContact OG-NE 2.4Å; S516-R545 VanDerWaalsContact OG-NE 3.07Å; S516-R545 PolarHBondContact OG-NH2 3Å
517	V	65.5	Low	79.1	Confident	75 Å²	75	23 Å²	23	46%	0.455	13%	0.134	S	C	.	.	H	α-helix	trans	-59.4	-30.1	179.5	-176.1	0	0	0	0	112.4	M372 T515	M372-V517 HydrophobicContact CE-CG1 3.65Å; M372-V517 HydrophobicContact SD-CG1 4.14Å; T515-V517 VanDerWaalsContact C-N 3.26Å; T515-V517 PolarHBondContact O-N 2.83Å; T515-V517 VanDerWaalsContact O-N 3.15Å
518	A	61.2	Low	79.2	Confident	2 Å²	2	24.7 Å²	24.7	2%	0.017	13%	0.132	C	C	.	.	H	α-helix	trans	-91.3	-6.5	179.3	0	0	0	0	0	114	I488 T515 S516	I488-A518 HydrophobicContact CG1-CB 4.21Å; I488-A518 HydrophobicContact CG2-CB 4.45Å; T515-A518 PolarHBondContact O-N 3.28Å; S516-A518 PolarHBondContact O-N 3.38Å
519	A	57.1	Low	79.2	Confident	1 Å²	1	19 Å²	19	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-122.3	-13.6	-172.1	0	0	0	0	0	115	M462 F464 A514 T515 S516 L522 R548	M462-A519 HydrophobicContact CE-CB 3.39Å; F464-A519 HydrophobicContact CE1-CB 3.59Å; F464-A519 HydrophobicContact CZ-CB 3.9Å; A514-A519 HydrophobicContact CB-CB 3.96Å; T515-A519 PolarHBondContact O-N 2.93Å; S516-A519 PolarHBondContact O-N 2.86Å; A519-L522 HydrophobicContact CB-CD1 4.37Å; A519-L522 WeakPolarHBondContact O-CG 3.38Å; A519-R548 PolarHBondContact O-NH1 3.48Å
520	R	68.4	Low	79.3	Confident	17 Å²	17	18.1 Å²	18.1	6%	0.064	10%	0.102	C	C	.	.	S	Bend	trans	-57.9	149.5	165.5	-75.6	164.4	179.1	-161.7	-6.7	110.8	T292 R368 D371 S516 L522 E541	T292-R520 PolarHBondContact OG1-O 3.39Å; R368-R520 HydrophobicContact CG-CG 4.47Å; D371-R520 IonicContact OD2-CZ 3.9Å; D371-R520 VanDerWaalsContact OD2-CZ 3.3Å; D371-R520 IonicContact OD2-NH1 2.77Å; D371-R520 PolarHBondContact OD2-NH1 3.45Å; D371-R520 IonicContact OD2-NH2 2.67Å; D371-R520 PolarHBondContact OD2-NH2 2.88Å; S516-R520 WeakPolarHBondContact O-CG 3.43Å; S516-R520 PolarHBondContact O-N 3.09Å; R520-L522 PolarHBondContact O-N 3.07Å; R520-E541 IonicContact CZ-OE2 3.18Å; R520-E541 IonicContact NE-OE2 2.76Å; R520-E541 IonicContact NH2-OE2 3.99Å; R520-E541 PolarHBondContact NH2-OE2 3.2Å
521	G	60.8	Low	79.4	Confident	7 Å²	7	17.5 Å²	17.5	7%	0.072	10%	0.098	C	C	.	.	S	Bend	trans	74.5	-44.7	-173.5	0	0	0	0	0	115.4	E365 D523 R548	E365-G521 VanDerWaalsContact CD-CA 3.42Å; E365-G521 VanDerWaalsContact OE1-CA 3.3Å; E365-G521 WeakPolarHBondContact OE1-CA 3.33Å; E365-G521 PolarHBondContact OE1-N 2.79Å; E365-G521 WeakPolarHBondContact OE2-CA 3.17Å; E365-G521 PolarHBondContact OE2-N 2.94Å; G521-D523 PolarHBondContact O-N 2.79Å; G521-R548 PolarHBondContact O-NH1 2.94Å
522	L	69.6	Low	79.5	Confident	5 Å²	5	17.3 Å²	17.3	3%	0.026	10%	0.097	C	C	.	.			trans	-44.9	123	-171.2	-56.3	-169.2	0	0	0	114	E294 M462 L501 A519 R520 I524 R548 R551	E294-L522 HydrophobicContact CB-CD2 3.18Å; E294-L522 HydrophobicContact CG-CD2 3.96Å; M462-L522 HydrophobicContact CE-CD1 4.48Å; L501-L522 HydrophobicContact CD1-CD1 4.46Å; L501-L522 HydrophobicContact CD1-CD2 4.45Å; L501-L522 HydrophobicContact CD2-CD1 3.86Å; A519-L522 HydrophobicContact CB-CD1 4.37Å; A519-L522 WeakPolarHBondContact O-CG 3.38Å; R520-L522 PolarHBondContact O-N 3.07Å; L522-I524 HydrophobicContact CB-CD1 4.31Å; L522-I524 HydrophobicContact CB-CG1 3.85Å; L522-I524 HydrophobicContact CD1-CD1 3.8Å; L522-I524 HydrophobicContact CD1-CG1 4.13Å; L522-R548 PolarHBondContact O-NH1 3.25Å; L522-R551 PolarHBondContact O-NH1 3.38Å; L522-R551 VanDerWaalsContact O-NH1 3.1Å; L522-R551 PolarHBondContact O-NH2 3.26Å
523	D	67.8	Low	79.6	Confident	59 Å²	59	17.7 Å²	17.7	32%	0.316	10%	0.098	S	C	.	.			trans	-89.4	106.7	152.2	-158.1	48.6	0	0	0	108.8	Q298 R505 G521 R551	Q298-D523 VanDerWaalsContact CD-CB 3.41Å; Q298-D523 HydrophobicContact CG-CB 4.36Å; R505-D523 PolarHBondContact NH2-O 2.98Å; G521-D523 PolarHBondContact O-N 2.79Å; D523-R551 VanDerWaalsContact CA-NH1 3.35Å; D523-R551 WeakPolarHBondContact OD1-CD 3.47Å; D523-R551 IonicContact OD1-CZ 3.38Å; D523-R551 IonicContact OD1-NE 3.14Å; D523-R551 IonicContact OD1-NH1 2.71Å; D523-R551 PolarHBondContact OD1-NH1 3.07Å
524	I	71.9	Confident	79.5	Confident	4 Å²	4	18.8 Å²	18.8	2%	0.021	10%	0.104	C	C	.	.			trans	-109.9	109.8	170.5	-49.2	-176.4	0	0	0	104.4	M462 L501 F504 R505 L512 L522 V527	M462-I524 HydrophobicContact CE-CD1 3.78Å; M462-I524 HydrophobicContact SD-CD1 3.93Å; L501-I524 HydrophobicContact CD2-CD1 3.82Å; L501-I524 HydrophobicContact CD2-CG1 4.31Å; F504-I524 HydrophobicContact CD1-CG2 3.45Å; F504-I524 VanDerWaalsContact CD1-CG2 3.45Å; F504-I524 HydrophobicContact CE1-CG2 3.48Å; F504-I524 VanDerWaalsContact CE1-CG2 3.48Å; R505-I524 HydrophobicContact CG-CG2 4.22Å; L512-I524 HydrophobicContact CD2-CD1 3.74Å; L522-I524 HydrophobicContact CB-CD1 4.31Å; L522-I524 HydrophobicContact CB-CG1 3.85Å; L522-I524 HydrophobicContact CD1-CD1 3.8Å; L522-I524 HydrophobicContact CD1-CG1 4.13Å; I524-V527 HydrophobicContact CB-CG2 3.72Å; I524-V527 HydrophobicContact CG2-CG2 3.86Å
525	P	65	Low	79.6	Confident	39 Å²	39	19.1 Å²	19.1	25%	0.253	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	154.9	175.3	26.9	-35.3	0	0	0	110.3	Y180 R505 V527	Y180-P525 HydrophobicContact CD2-CB 3.54Å; Y180-P525 HydrophobicContact CE2-CB 3.64Å; R505-P525 HydrophobicContact CG-CG 4.23Å; P525-V527 VanDerWaalsContact C-N 3.31Å; P525-V527 PolarHBondContact O-N 3.35Å
526	D	70.7	Confident	79.6	Confident	50 Å²	50	18.8 Å²	18.8	27%	0.267	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	23.1	177.4	-45.5	-113.1	0	0	0	117.5	Y180 R460 Q528	Y180-D526 HydrophobicContact CE2-CB 4.41Å; Y180-D526 WeakPolarHBondContact CE2-OD2 3.31Å; Y180-D526 WeakPolarHBondContact OH-CA 3.41Å; Y180-D526 PolarHBondContact OH-N 3.23Å; Y180-D526 PolarHBondContact OH-OD1 2.68Å; R460-D526 WeakPolarHBondContact CB-O 3.47Å; R460-D526 IonicContact CZ-OD1 3.82Å; R460-D526 IonicContact CZ-OD2 3.43Å; R460-D526 VanDerWaalsContact NH1-CB 3.28Å; R460-D526 IonicContact NH1-OD1 3.49Å; R460-D526 PolarHBondContact NH1-OD1 3.18Å; R460-D526 IonicContact NH1-OD2 3.69Å; R460-D526 PolarHBondContact NH1-OD2 2.77Å; R460-D526 IonicContact NH2-OD1 3.71Å; R460-D526 PolarHBondContact NH2-OD1 2.7Å; R460-D526 IonicContact NH2-OD2 2.64Å; D526-Q528 PolarHBondContact O-N 2.97Å
527	V	87.6	Confident	80.2	Confident	11 Å²	11	26.9 Å²	26.9	7%	0.067	14%	0.139	C	C	.	.			trans	-66.8	105.4	168.1	-178.4	0	0	0	0	108.2	M462 F504 I524 P525 V530 T549	M462-V527 HydrophobicContact CB-CG1 4.06Å; F504-V527 HydrophobicContact CE1-CG2 3.92Å; F504-V527 HydrophobicContact CZ-CG2 4.23Å; I524-V527 HydrophobicContact CB-CG2 3.72Å; I524-V527 HydrophobicContact CG2-CG2 3.86Å; P525-V527 VanDerWaalsContact C-N 3.31Å; P525-V527 PolarHBondContact O-N 3.35Å; V527-V530 HydrophobicContact CG1-CG2 3.95Å; V527-T549 WeakPolarHBondContact O-CB 3.48Å; V527-T549 PolarHBondContact O-OG1 3.42Å
528	Q	90.7	Very high	81.2	Confident	69 Å²	69	26.3 Å²	26.3	32%	0.322	13%	0.133	S	C	.	.			trans	-89	-31.4	-177.9	-67.4	164.2	-89	0	0	111.6	E459 R460 D526 R557	E459-Q528 HydrophobicContact CB-CB 4.21Å; E459-Q528 WeakPolarHBondContact OE2-CB 3.41Å; R460-Q528 VanDerWaalsContact N-OE1 3.12Å; R460-Q528 PolarHBondContact O-N 3.22Å; D526-Q528 PolarHBondContact O-N 2.97Å; Q528-R557 PolarHBondContact O-N 3.47Å; Q528-R557 VanDerWaalsContact O-N 3.15Å
529	H	92.9	Very high	82.4	Confident	9 Å²	9	26.8 Å²	26.8	4%	0.042	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.7	-175.9	-163	-178.1	0	0	0	110.9	T456 R460 T461 M462 R557 V559	T456-H529 HydrophobicContact CG2-CB 4.21Å; T456-H529 WeakPolarHBondContact CG2-ND1 3.4Å; T456-H529 PolarHBondContact OG1-ND1 3.32Å; R460-H529 PolarHBondContact O-N 3.46Å; T461-H529 CarbonylContact C-O 3.59Å; T461-H529 VanDerWaalsContact CA-O 3.29Å; T461-H529 WeakPolarHBondContact CA-O 3.36Å; T461-H529 HydrophobicContact CG2-CB 4.01Å; M462-H529 PolarHBondContact N-O 3.25Å; H529-R557 CarbonylContact C-O 3.57Å; H529-R557 WeakPolarHBondContact CA-O 3.22Å; H529-R557 PolarHBondContact CD2-O 2.84Å; H529-V559 VanDerWaalsContact NE2-CG2 3.34Å; H529-V559 WeakPolarHBondContact NE2-CG2 3.15Å
530	V	94.5	Very high	83.6	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.3	169.3	174	0	0	0	0	108.6	M462 F464 V527 R548 T549 R557 A558 V559	M462-V530 CarbonylContact O-C 3.54Å; M462-V530 WeakPolarHBondContact O-CA 3.36Å; F464-V530 HydrophobicContact CD2-CG1 3.81Å; F464-V530 HydrophobicContact CE2-CG1 3.88Å; V527-V530 HydrophobicContact CG1-CG2 3.95Å; V530-R548 HydrophobicContact CG2-CB 4.11Å; V530-T549 HydrophobicContact CB-CG2 4.42Å; V530-T549 HydrophobicContact CG2-CG2 3.76Å; V530-R557 PolarHBondContact N-O 3.47Å; V530-A558 HydrophobicContact CB-CB 4.36Å; V530-A558 CarbonylContact O-C 3.55Å; V530-A558 VanDerWaalsContact O-CA 3.29Å; V530-A558 WeakPolarHBondContact O-CA 3.45Å; V530-V559 PolarHBondContact O-N 3.4Å
531	V	96.5	Very high	84.4	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	112.5	173.2	-177.4	0	0	0	0	109.5	L449 I452 T461 M462 V463 F464 F533 V559 F561	L449-V531 HydrophobicContact CD1-CB 4.37Å; L449-V531 HydrophobicContact CD1-CG1 3.87Å; I452-V531 HydrophobicContact CG2-CG2 4.29Å; T461-V531 HydrophobicContact CG2-CG2 3.88Å; M462-V531 PolarHBondContact O-N 3.31Å; V463-V531 CarbonylContact C-O 3.51Å; V463-V531 WeakPolarHBondContact CA-O 3.13Å; V463-V531 HydrophobicContact CG2-CB 4.38Å; F464-V531 PolarHBondContact N-O 3.15Å; V531-F533 PolarHBondContact O-N 2.75Å; V531-V559 CarbonylContact C-O 3.59Å; V531-V559 VanDerWaalsContact CA-O 3.27Å; V531-V559 WeakPolarHBondContact CA-O 3.35Å; V531-F561 HydrophobicContact CG1-CE1 4.43Å; V531-F561 HydrophobicContact CG1-CE2 4.42Å; V531-F561 HydrophobicContact CG1-CZ 4.13Å
532	N	97	Very high	85.8	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	95.5	165.1	-70	-62.5	0	0	0	108.2	L535 R545 V559 S560 F561	N532-L535 HydrophobicContact CB-CD2 4.33Å; N532-R545 WeakPolarHBondContact OD1-CD 3.45Å; N532-R545 PolarHBondContact OD1-NH1 3.47Å; N532-V559 PolarHBondContact N-O 3.12Å; N532-S560 PolarHBondContact ND2-OG 2.95Å; N532-F561 WeakPolarHBondContact O-CB 3.34Å; N532-F561 PolarHBondContact O-N 2.91Å
533	F	97.1	Very high	86.6	Confident	7 Å²	7	28.3 Å²	28.3	3%	0.031	14%	0.142	C	C	.	.	S	Bend	trans	-68.1	-41.6	174.9	-176.7	-81.7	0	0	0	110.4	K445 R446 L449 V463 F464 V465 I474 V531 F561	K445-F533 HydrophobicContact CB-CD2 4.32Å; K445-F533 HydrophobicContact CB-CE1 3.91Å; K445-F533 HydrophobicContact CB-CE2 3.68Å; K445-F533 HydrophobicContact CB-CZ 3.43Å; K445-F533 VanDerWaalsContact CB-CZ 3.43Å; K445-F533 HydrophobicContact CD-CD1 4.19Å; K445-F533 HydrophobicContact CD-CE1 3.9Å; K445-F533 HydrophobicContact CD-CZ 4.33Å; K445-F533 VanDerWaalsContact CD-O 3.3Å; K445-F533 WeakPolarHBondContact CD-O 3.33Å; K445-F533 WeakPolarHBondContact CE-O 3.48Å; K445-F533 PolarHBondContact NZ-O 2.96Å; K445-F533 WeakPolarHBondContact O-CE2 3.39Å; R446-F533 HydrophobicContact CG-CE2 4.26Å; R446-F533 HydrophobicContact CG-CZ 3.92Å; L449-F533 HydrophobicContact CB-CD2 4.11Å; L449-F533 HydrophobicContact CB-CE2 4.16Å; L449-F533 HydrophobicContact CD2-CD2 3.79Å; L449-F533 HydrophobicContact CD2-CE2 4.01Å; L449-F533 HydrophobicContact CG-CD2 4.38Å; V463-F533 HydrophobicContact CG1-CB 4.02Å; F464-F533 VanDerWaalsContact O-CB 3.3Å; F464-F533 WeakPolarHBondContact O-CB 3.44Å; F464-F533 PolarHBondContact O-N 3.43Å; V465-F533 HydrophobicContact CG1-CB 3.88Å; V465-F533 HydrophobicContact CG1-CD1 3.97Å; V465-F533 HydrophobicContact CG1-CG 4.07Å; I474-F533 HydrophobicContact CD1-CE1 4.35Å; I474-F533 HydrophobicContact CD1-CE2 3.91Å; I474-F533 HydrophobicContact CD1-CZ 3.74Å; I474-F533 HydrophobicContact CG1-CZ 4.5Å; V531-F533 PolarHBondContact O-N 2.75Å; F533-F561 HydrophobicContact CB-CD2 4.42Å; F533-F561 HydrophobicContact CD2-CD2 4.03Å; F533-F561 AromaticContact CD2-CE2 3.75Å; F533-F561 HydrophobicContact CD2-CE2 3.75Å; F533-F561 HydrophobicContact CE2-CE2 4.28Å; F533-F561 HydrophobicContact CG-CD2 4.26Å; F533-F561 HydrophobicContact CG-CE2 4.39Å; F533-F561 WeakPolarHBondContact O-CB 3.38Å
534	D	95.3	Very high	87.3	Confident	24 Å²	24	25.6 Å²	25.6	13%	0.128	13%	0.128	C	C	.	.	S	Bend	trans	-115.8	140.7	161.5	-53.9	-56.7	0	0	0	108.6	K445 F464 E466 Q470 R545	K445-D534 IonicContact NZ-OD1 2.63Å; K445-D534 PolarHBondContact NZ-OD1 3.09Å; F464-D534 PolarHBondContact O-N 3.36Å; E466-D534 HydrophobicContact CB-CB 4.24Å; E466-D534 PolarHBondContact N-OD2 3.1Å; Q470-D534 VanDerWaalsContact CD-OD2 3.32Å; Q470-D534 PolarHBondContact NE2-OD2 3.32Å; Q470-D534 PolarHBondContact OE1-OD2 2.97Å; D534-R545 PolarHBondContact O-NH1 2.66Å
535	L	94.9	Very high	88.1	Confident	6 Å²	6	25.6 Å²	25.6	3%	0.031	13%	0.127	C	C	.	.			trans	-71.2	153.9	169.4	-79.8	164.4	0	0	0	110.6	F437 N532 Y542 F562 D567 L570 L574	F437-L535 HydrophobicContact CE1-CD1 4.23Å; F437-L535 HydrophobicContact CE1-CD2 4.12Å; N532-L535 HydrophobicContact CB-CD2 4.33Å; L535-Y542 HydrophobicContact CD2-CD2 3.78Å; L535-Y542 HydrophobicContact CD2-CE2 4.05Å; L535-F562 HydrophobicContact CD1-CB 4.12Å; L535-F562 HydrophobicContact CD1-CD2 3.69Å; L535-F562 HydrophobicContact CD1-CG 4.35Å; L535-D567 HydrophobicContact CB-CB 4.46Å; L535-D567 HydrophobicContact CD1-CB 3.89Å; L535-L570 HydrophobicContact CB-CD2 4.41Å; L535-L570 HydrophobicContact CD2-CD2 4.47Å; L535-L574 HydrophobicContact CD1-CD1 4.07Å
536	P	92	Very high	89.2	Confident	3 Å²	3	23.8 Å²	23.8	2%	0.019	12%	0.116	C	C	.	.			trans	-73.3	161.4	170.1	30.9	-33.3	0	0	0	111.4	D538 E541 L570	P536-D538 VanDerWaalsContact CG-O 3.24Å; P536-D538 WeakPolarHBondContact CG-O 3.35Å; P536-D538 PolarHBondContact O-N 2.91Å; P536-E541 HydrophobicContact CB-CB 3.78Å; P536-E541 HydrophobicContact CB-CG 3.63Å; P536-E541 WeakPolarHBondContact CB-OE1 3.41Å; P536-E541 HydrophobicContact CG-CB 4.25Å; P536-E541 HydrophobicContact CG-CG 4.26Å; P536-L570 HydrophobicContact CG-CD2 4.48Å; P536-L570 WeakPolarHBondContact O-CD2 3.49Å
537	K	87.8	Confident	89.9	Confident	177 Å²	177	21.5 Å²	21.5	77%	0.77	10%	0.104	S	C	*	.	S	Bend	trans	-75.5	-7.6	172.3	-67.6	164.6	-179.4	145	0	114	E466	E466-K537 WeakPolarHBondContact OE1-CE 3.32Å; E466-K537 IonicContact OE1-NZ 3.32Å; E466-K537 PolarHBondContact OE1-NZ 3.35Å
538	D	86.6	Confident	89.9	Confident	63 Å²	63	21.2 Å²	21.2	34%	0.337	10%	0.101	S	C	.	.	S	Bend	trans	-136.6	145.9	-172.7	165.3	-111.2	0	0	0	111.1	P536 D540 E541 Y542	P536-D538 VanDerWaalsContact CG-O 3.24Å; P536-D538 WeakPolarHBondContact CG-O 3.35Å; P536-D538 PolarHBondContact O-N 2.91Å; D538-D540 WeakPolarHBondContact OD1-CA 3.24Å; D538-D540 WeakPolarHBondContact OD1-CB 3.31Å; D538-D540 PolarHBondContact OD1-N 3Å; D538-D540 VanDerWaalsContact OD1-N 3.1Å; D538-D540 PolarHBondContact OD2-N 3.15Å; D538-E541 HydrophobicContact CB-CB 4.44Å; D538-E541 PolarHBondContact OD1-N 3.21Å; D538-Y542 PolarHBondContact O-N 2.97Å
539	I	87.2	Confident	89.8	Confident	11 Å²	11	18.1 Å²	18.1	6%	0.056	9%	0.087	C	C	.	.	H	α-helix	trans	-80.2	-32	-174.7	-166.5	66.6	0	0	0	112.5	E541 Y542 V543 L570 L574 V577 F607	I539-E541 VanDerWaalsContact C-N 3.29Å; I539-E541 PolarHBondContact O-N 2.81Å; I539-Y542 HydrophobicContact CD1-CD1 4.1Å; I539-Y542 HydrophobicContact CD1-CG 4.42Å; I539-Y542 WeakPolarHBondContact O-CB 3.44Å; I539-Y542 PolarHBondContact O-N 3.48Å; I539-V543 PolarHBondContact O-N 2.87Å; I539-V543 VanDerWaalsContact O-N 3.1Å; I539-L570 HydrophobicContact CB-CD1 4.26Å; I539-L574 HydrophobicContact CD1-CD2 3.73Å; I539-L574 HydrophobicContact CD1-CG 4.32Å; I539-V577 HydrophobicContact CD1-CB 4.45Å; I539-V577 HydrophobicContact CD1-CG2 3.82Å; I539-V577 HydrophobicContact CG1-CG2 3.63Å; I539-F607 HydrophobicContact CG2-CE2 4Å; I539-F607 HydrophobicContact CG2-CZ 3.85Å
540	D	82.2	Confident	89.2	Confident	21 Å²	21	17.8 Å²	17.8	11%	0.112	9%	0.087	C	C	.	.	H	α-helix	trans	-65	-40.5	174.5	-70.7	-4.1	0	0	0	109.1	R368 T401 D538 Y542 V543 H544 F607	R368-D540 VanDerWaalsContact NH2-CB 3.33Å; R368-D540 PolarHBondContact NH2-O 3.2Å; T401-D540 WeakPolarHBondContact CB-OD2 3.35Å; T401-D540 HydrophobicContact CG2-CB 3.79Å; T401-D540 VanDerWaalsContact CG2-CG 3.44Å; T401-D540 WeakPolarHBondContact CG2-OD2 3.35Å; T401-D540 PolarHBondContact OG1-OD2 2.86Å; D538-D540 WeakPolarHBondContact OD1-CA 3.24Å; D538-D540 WeakPolarHBondContact OD1-CB 3.31Å; D538-D540 PolarHBondContact OD1-N 3Å; D538-D540 VanDerWaalsContact OD1-N 3.1Å; D538-D540 PolarHBondContact OD2-N 3.15Å; D540-Y542 VanDerWaalsContact C-N 3.35Å; D540-Y542 PolarHBondContact O-N 3.27Å; D540-V543 PolarHBondContact O-N 2.83Å; D540-H544 PolarHBondContact O-CD2 3.4Å; D540-H544 PolarHBondContact O-N 3.42Å; D540-H544 VanDerWaalsContact O-N 3.09Å; D540-F607 WeakPolarHBondContact OD1-CZ 3.36Å
541	E	84.9	Confident	88.5	Confident	27 Å²	27	19.1 Å²	19.1	13%	0.126	9%	0.091	C	C	.	.	H	α-helix	trans	-59.1	-43.8	172.8	-178.2	170.5	135.2	0	0	112	S516 R520 P536 D538 I539 V543 H544 R545	S516-E541 WeakPolarHBondContact CB-OE1 3.43Å; S516-E541 PolarHBondContact OG-OE1 3.19Å; R520-E541 IonicContact CZ-OE2 3.18Å; R520-E541 IonicContact NE-OE2 2.76Å; R520-E541 IonicContact NH2-OE2 3.99Å; R520-E541 PolarHBondContact NH2-OE2 3.2Å; P536-E541 HydrophobicContact CB-CB 3.78Å; P536-E541 HydrophobicContact CB-CG 3.63Å; P536-E541 WeakPolarHBondContact CB-OE1 3.41Å; P536-E541 HydrophobicContact CG-CB 4.25Å; P536-E541 HydrophobicContact CG-CG 4.26Å; D538-E541 HydrophobicContact CB-CB 4.44Å; D538-E541 PolarHBondContact OD1-N 3.21Å; I539-E541 VanDerWaalsContact C-N 3.29Å; I539-E541 PolarHBondContact O-N 2.81Å; E541-V543 VanDerWaalsContact C-N 3.33Å; E541-V543 PolarHBondContact O-N 2.97Å; E541-H544 PolarHBondContact O-N 2.87Å; E541-H544 VanDerWaalsContact O-N 3.13Å; E541-R545 HydrophobicContact CG-CG 4.22Å; E541-R545 WeakPolarHBondContact O-CG 3.4Å; E541-R545 PolarHBondContact O-N 3.25Å; E541-R545 IonicContact OE1-CZ 3.08Å; E541-R545 VanDerWaalsContact OE1-CZ 3.27Å; E541-R545 IonicContact OE1-NE 2.69Å; E541-R545 PolarHBondContact OE1-NE 3.47Å; E541-R545 IonicContact OE1-NH2 2.7Å; E541-R545 PolarHBondContact OE1-NH2 3.46Å
542	Y	89.6	Confident	87.3	Confident	1 Å²	1	21 Å²	21	0%	0.004	11%	0.105	C	C	.	.	H	α-helix	trans	-55.2	-49.4	177.2	170.5	-97.3	0	0	0	111.2	Q435 F437 L535 D538 I539 D540 H544 R545 I546 L574 V577	Q435-Y542 PolarHBondContact OE1-OH 2.98Å; F437-Y542 HydrophobicContact CE1-CE2 4.38Å; F437-Y542 HydrophobicContact CE2-CE2 4.47Å; F437-Y542 VanDerWaalsContact CE2-OH 3.26Å; F437-Y542 WeakPolarHBondContact CE2-OH 3.29Å; F437-Y542 AromaticContact CZ-CE2 3.67Å; F437-Y542 HydrophobicContact CZ-CE2 3.67Å; F437-Y542 AromaticContact CZ-CZ 3.59Å; F437-Y542 VanDerWaalsContact CZ-OH 3.27Å; F437-Y542 WeakPolarHBondContact CZ-OH 3.25Å; L535-Y542 HydrophobicContact CD2-CD2 3.78Å; L535-Y542 HydrophobicContact CD2-CE2 4.05Å; D538-Y542 PolarHBondContact O-N 2.97Å; I539-Y542 HydrophobicContact CD1-CD1 4.1Å; I539-Y542 HydrophobicContact CD1-CG 4.42Å; I539-Y542 WeakPolarHBondContact O-CB 3.44Å; I539-Y542 PolarHBondContact O-N 3.48Å; D540-Y542 VanDerWaalsContact C-N 3.35Å; D540-Y542 PolarHBondContact O-N 3.27Å; Y542-H544 VanDerWaalsContact C-N 3.32Å; Y542-H544 PolarHBondContact O-N 2.99Å; Y542-R545 PolarHBondContact O-N 3.4Å; Y542-R545 VanDerWaalsContact O-N 3.15Å; Y542-I546 HydrophobicContact CD1-CD1 4.37Å; Y542-I546 HydrophobicContact CD2-CG2 4.38Å; Y542-I546 HydrophobicContact CE1-CD1 3.71Å; Y542-I546 HydrophobicContact CE1-CG1 4.5Å; Y542-I546 HydrophobicContact CE1-CG2 4.32Å; Y542-I546 HydrophobicContact CE2-CG2 3.87Å; Y542-I546 PolarHBondContact O-N 2.75Å; Y542-L574 HydrophobicContact CD1-CD2 4.1Å; Y542-L574 HydrophobicContact CD2-CD2 4.05Å; Y542-L574 HydrophobicContact CE1-CD2 4.25Å; Y542-L574 HydrophobicContact CE2-CD2 4.18Å; Y542-L574 HydrophobicContact CG-CD2 4.02Å; Y542-V577 HydrophobicContact CE1-CG1 4.21Å
543	V	85.8	Confident	86.1	Confident	13 Å²	13	21 Å²	21	8%	0.079	11%	0.105	C	C	.	.	H	α-helix	trans	-56.6	-43.2	176.7	168.8	0	0	0	0	111.7	G428 A429 I539 D540 E541 R545 I546 G547 V577	G428-V543 VanDerWaalsContact O-CG1 3.32Å; G428-V543 WeakPolarHBondContact O-CG1 3.33Å; A429-V543 HydrophobicContact CB-CG2 4.45Å; I539-V543 PolarHBondContact O-N 2.87Å; I539-V543 VanDerWaalsContact O-N 3.1Å; D540-V543 PolarHBondContact O-N 2.83Å; E541-V543 VanDerWaalsContact C-N 3.33Å; E541-V543 PolarHBondContact O-N 2.97Å; V543-R545 PolarHBondContact O-N 2.93Å; V543-I546 WeakPolarHBondContact O-CG1 3.38Å; V543-G547 PolarHBondContact O-N 3.49Å; V543-V577 HydrophobicContact CG2-CG1 4.41Å
544	H	82.6	Confident	85.3	Confident	3 Å²	3	23 Å²	23	1%	0.014	12%	0.116	C	C	.	.	H	α-helix	trans	-72	-27	179.3	-77.1	-134.3	0	0	0	114	E365 D367 R368 A400 D540 E541 Y542 R548	E365-H544 IonicContact OE1-ND1 3.39Å; D367-H544 IonicContact OD2-CE1 3.18Å; D367-H544 PolarHBondContact OD2-CE1 2.87Å; D367-H544 IonicContact OD2-NE2 3.78Å; R368-H544 PolarHBondContact NE-CE1 3.32Å; R368-H544 PolarHBondContact NE-ND1 2.95Å; R368-H544 PolarHBondContact NH2-CD2 2.93Å; R368-H544 PolarHBondContact NH2-CE1 3.04Å; R368-H544 VanDerWaalsContact NH2-CG 3.33Å; R368-H544 PolarHBondContact NH2-NE2 3.47Å; A400-H544 WeakPolarHBondContact CB-NE2 3.49Å; D540-H544 PolarHBondContact O-CD2 3.4Å; D540-H544 PolarHBondContact O-N 3.42Å; D540-H544 VanDerWaalsContact O-N 3.09Å; E541-H544 PolarHBondContact O-N 2.87Å; E541-H544 VanDerWaalsContact O-N 3.13Å; Y542-H544 VanDerWaalsContact C-N 3.32Å; Y542-H544 PolarHBondContact O-N 2.99Å; H544-R548 PolarHBondContact O-NE 3.33Å; H544-R548 PolarHBondContact O-NH2 2.87Å
545	R	88.9	Confident	84.9	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.015	14%	0.139	C	C	.	.	H	α-helix	trans	-72.5	-50.2	174.7	-68.2	-177.7	-174.6	-167.4	4.4	111	F464 S516 N532 D534 E541 Y542 V543 G547 R548	F464-R545 HydrophobicContact CD1-CB 4.39Å; F464-R545 HydrophobicContact CD1-CG 3.73Å; F464-R545 HydrophobicContact CD2-CB 4.02Å; F464-R545 HydrophobicContact CD2-CG 4.23Å; F464-R545 HydrophobicContact CE1-CB 4.25Å; F464-R545 HydrophobicContact CE1-CG 3.72Å; F464-R545 HydrophobicContact CE2-CB 3.86Å; F464-R545 HydrophobicContact CE2-CG 4.23Å; F464-R545 HydrophobicContact CG-CB 4.28Å; F464-R545 HydrophobicContact CG-CG 3.99Å; F464-R545 HydrophobicContact CZ-CB 3.98Å; F464-R545 HydrophobicContact CZ-CG 3.98Å; S516-R545 PolarHBondContact OG-NE 2.4Å; S516-R545 VanDerWaalsContact OG-NE 3.07Å; S516-R545 PolarHBondContact OG-NH2 3Å; N532-R545 WeakPolarHBondContact OD1-CD 3.45Å; N532-R545 PolarHBondContact OD1-NH1 3.47Å; D534-R545 PolarHBondContact O-NH1 2.66Å; E541-R545 HydrophobicContact CG-CG 4.22Å; E541-R545 WeakPolarHBondContact O-CG 3.4Å; E541-R545 PolarHBondContact O-N 3.25Å; E541-R545 IonicContact OE1-CZ 3.08Å; E541-R545 VanDerWaalsContact OE1-CZ 3.27Å; E541-R545 IonicContact OE1-NE 2.69Å; E541-R545 PolarHBondContact OE1-NE 3.47Å; E541-R545 IonicContact OE1-NH2 2.7Å; E541-R545 PolarHBondContact OE1-NH2 3.46Å; Y542-R545 PolarHBondContact O-N 3.4Å; Y542-R545 VanDerWaalsContact O-N 3.15Å; V543-R545 PolarHBondContact O-N 2.93Å; R545-G547 VanDerWaalsContact C-N 3.29Å; R545-G547 PolarHBondContact O-N 2.96Å; R545-R548 WeakPolarHBondContact O-CB 3.35Å; R545-R548 WeakPolarHBondContact O-CG 3.26Å; R545-R548 PolarHBondContact O-N 1.77Å; R545-R548 VanDerWaalsContact O-N 3.13Å
546	I	89.3	Confident	84.7	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-65.6	-35.1	178.1	67.9	171.8	0	0	0	111.3	A429 V433 Q435 Y542 V543 R548 T549 A558	A429-I546 HydrophobicContact CB-CD1 3.8Å; V433-I546 HydrophobicContact CG1-CB 4.32Å; Q435-I546 HydrophobicContact CG-CD1 3.88Å; Y542-I546 HydrophobicContact CD1-CD1 4.37Å; Y542-I546 HydrophobicContact CD2-CG2 4.38Å; Y542-I546 HydrophobicContact CE1-CD1 3.71Å; Y542-I546 HydrophobicContact CE1-CG1 4.5Å; Y542-I546 HydrophobicContact CE1-CG2 4.32Å; Y542-I546 HydrophobicContact CE2-CG2 3.87Å; Y542-I546 PolarHBondContact O-N 2.75Å; V543-I546 WeakPolarHBondContact O-CG1 3.38Å; I546-R548 PolarHBondContact O-N 2.63Å; I546-T549 WeakPolarHBondContact O-CG2 3.4Å; I546-T549 PolarHBondContact O-N 3.31Å; I546-T549 VanDerWaalsContact O-N 3.07Å; I546-A558 HydrophobicContact CB-CB 3.89Å; I546-A558 HydrophobicContact CG2-CB 3.61Å
547	G	84.8	Confident	84.8	Confident	2 Å²	2	30.9 Å²	30.9	2%	0.021	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	13.8	171.1	0	0	0	0	0	115.9	T252 V543 R545 T549 R551	T252-G547 PolarHBondContact OG1-O 3.03Å; V543-G547 PolarHBondContact O-N 3.49Å; R545-G547 VanDerWaalsContact C-N 3.29Å; R545-G547 PolarHBondContact O-N 2.96Å; G547-T549 CarbonylContact C-O 3.51Å; G547-R551 VanDerWaalsContact O-CZ 3.3Å; G547-R551 PolarHBondContact O-NE 3.45Å; G547-R551 PolarHBondContact O-NH2 3.06Å
548	R	86.8	Confident	85.2	Confident	4 Å²	4	22.5 Å²	22.5	2%	0.015	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-31.5	160.3	-65	-48.8	105.2	174.2	10	112.1	E365 M462 F464 A519 G521 L522 V530 H544 R545 I546	E365-R548 IonicContact OE1-NH2 2.78Å; M462-R548 HydrophobicContact SD-CB 4.12Å; M462-R548 HydrophobicContact SD-CG 3.87Å; F464-R548 HydrophobicContact CE2-CG 4.09Å; F464-R548 HydrophobicContact CZ-CG 3.78Å; A519-R548 PolarHBondContact O-NH1 3.48Å; G521-R548 PolarHBondContact O-NH1 2.94Å; L522-R548 PolarHBondContact O-NH1 3.25Å; V530-R548 HydrophobicContact CG2-CB 4.11Å; H544-R548 PolarHBondContact O-NE 3.33Å; H544-R548 PolarHBondContact O-NH2 2.87Å; R545-R548 WeakPolarHBondContact O-CB 3.35Å; R545-R548 WeakPolarHBondContact O-CG 3.26Å; R545-R548 PolarHBondContact O-N 1.77Å; R545-R548 VanDerWaalsContact O-N 3.13Å; I546-R548 PolarHBondContact O-N 2.63Å
549	T	88.1	Confident	85.6	Confident	4 Å²	4	20.4 Å²	20.4	3%	0.025	11%	0.107	C	C	.	.	S	Bend	trans	-96.7	-176.2	166.3	-168.1	0	0	0	0	110.3	V433 V527 V530 I546 G547 G556	V433-T549 HydrophobicContact CG1-CG2 3.87Å; V433-T549 HydrophobicContact CG2-CG2 4.07Å; V527-T549 WeakPolarHBondContact O-CB 3.48Å; V527-T549 PolarHBondContact O-OG1 3.42Å; V530-T549 HydrophobicContact CB-CG2 4.42Å; V530-T549 HydrophobicContact CG2-CG2 3.76Å; I546-T549 WeakPolarHBondContact O-CG2 3.4Å; I546-T549 PolarHBondContact O-N 3.31Å; I546-T549 VanDerWaalsContact O-N 3.07Å; G547-T549 CarbonylContact C-O 3.51Å; T549-G556 WeakPolarHBondContact OG1-CA 3.48Å
550	G	82	Confident	86.1	Confident	3 Å²	3	19.9 Å²	19.9	3%	0.031	10%	0.104	C	C	.	.	S	Bend	trans	68.6	42.4	175.9	0	0	0	0	0	114.7	C430 N554	C430-G550 PolarHBondContact SG-O 3.24Å; G550-N554 CarbonylContact C-O 3.54Å; G550-N554 WeakPolarHBondContact CA-O 3.24Å
551	R	78.3	Confident	86.8	Confident	27 Å²	27	18.9 Å²	18.9	10%	0.102	10%	0.099	C	C	.	.			trans	-111.2	144	-169	-68.2	-169.2	172.3	-159.1	1.9	113.9	L522 D523 G547 G553 N554	L522-R551 PolarHBondContact O-NH1 3.38Å; L522-R551 VanDerWaalsContact O-NH1 3.1Å; L522-R551 PolarHBondContact O-NH2 3.26Å; D523-R551 VanDerWaalsContact CA-NH1 3.35Å; D523-R551 WeakPolarHBondContact OD1-CD 3.47Å; D523-R551 IonicContact OD1-CZ 3.38Å; D523-R551 IonicContact OD1-NE 3.14Å; D523-R551 IonicContact OD1-NH1 2.71Å; D523-R551 PolarHBondContact OD1-NH1 3.07Å; G547-R551 VanDerWaalsContact O-CZ 3.3Å; G547-R551 PolarHBondContact O-NE 3.45Å; G547-R551 PolarHBondContact O-NH2 3.06Å; R551-G553 PolarHBondContact O-N 2.82Å; R551-N554 PolarHBondContact N-O 2.76Å; R551-N554 VanDerWaalsContact O-CB 3.31Å; R551-N554 WeakPolarHBondContact O-CB 3.4Å; R551-N554 PolarHBondContact O-N 3.19Å; R551-N554 PolarHBondContact O-ND2 3.38Å
552	C	71.8	Confident	87.4	Confident	41 Å²	41	17.6 Å²	17.6	28%	0.277	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	36.6	177.3	-56	0	0	0	0	113.2	G183 Y189 N554	G183-C552 PolarHBondContact N-O 3Å; Y189-C552 PolarHBondContact OH-N 3.01Å; C552-N554 VanDerWaalsContact C-N 3.33Å; C552-N554 PolarHBondContact O-N 3.12Å
553	G	71.9	Confident	87.6	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	9.8	-177.2	0	0	0	0	0	115.4	G183 I184 N185 Y189 R551	G183-G553 CarbonylContact C-O 3.6Å; G183-G553 WeakPolarHBondContact CA-O 3.38Å; I184-G553 PolarHBondContact N-O 2.7Å; I184-G553 VanDerWaalsContact N-O 3.14Å; N185-G553 WeakPolarHBondContact CB-O 3.28Å; N185-G553 PolarHBondContact N-O 3.18Å; Y189-G553 PolarHBondContact OH-N 2.69Å; R551-G553 PolarHBondContact O-N 2.82Å
554	N	81.2	Confident	87.8	Confident	49 Å²	49	20.4 Å²	20.4	26%	0.262	11%	0.111	S	C	.	.			trans	-85.2	137.1	169.7	-63.6	-85.3	0	0	0	109.3	K181 G183 G550 R551 C552	K181-N554 PolarHBondContact O-ND2 2.96Å; G183-N554 WeakPolarHBondContact CA-OD1 3.43Å; G183-N554 PolarHBondContact N-ND2 2.96Å; G550-N554 CarbonylContact C-O 3.54Å; G550-N554 WeakPolarHBondContact CA-O 3.24Å; R551-N554 PolarHBondContact N-O 2.76Å; R551-N554 VanDerWaalsContact O-CB 3.31Å; R551-N554 WeakPolarHBondContact O-CB 3.4Å; R551-N554 PolarHBondContact O-N 3.19Å; R551-N554 PolarHBondContact O-ND2 3.38Å; C552-N554 VanDerWaalsContact C-N 3.33Å; C552-N554 PolarHBondContact O-N 3.12Å
555	V	86.8	Confident	88	Confident	103 Å²	103	29.4 Å²	29.4	62%	0.624	15%	0.153	S	C	*	.			trans	-71.1	141.4	175.9	-179.9	0	0	0	0	110.2	D432	D432-V555 CarbonylContact O-C 3.39Å; D432-V555 WeakPolarHBondContact O-CA 3.33Å
556	G	90.2	Very high	88	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	163.4	176.4	0	0	0	0	0	113	D432 V433 E434 T549	D432-G556 PolarHBondContact O-N 2.95Å; V433-G556 WeakPolarHBondContact CA-O 3.41Å; E434-G556 PolarHBondContact N-O 2.91Å; T549-G556 WeakPolarHBondContact OG1-CA 3.48Å
557	R	93.9	Very high	88.2	Confident	94 Å²	94	33.6 Å²	33.6	36%	0.355	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.9	173.2	-67.6	-179.2	-72.9	-166.8	-3.3	111.1	E434 E459 Q528 H529 V530	E434-R557 HydrophobicContact CB-CG 4.25Å; E434-R557 CarbonylContact O-C 3.16Å; E459-R557 IonicContact OE1-CZ 2.59Å; E459-R557 IonicContact OE1-NH2 3.72Å; E459-R557 PolarHBondContact OE1-NH2 3.1Å; E459-R557 IonicContact OE2-CZ 2.67Å; E459-R557 IonicContact OE2-NH2 3.92Å; E459-R557 PolarHBondContact OE2-NH2 2.91Å; Q528-R557 PolarHBondContact O-N 3.47Å; Q528-R557 VanDerWaalsContact O-N 3.15Å; H529-R557 CarbonylContact C-O 3.57Å; H529-R557 WeakPolarHBondContact CA-O 3.22Å; H529-R557 PolarHBondContact CD2-O 2.84Å; V530-R557 PolarHBondContact N-O 3.47Å
558	A	95.3	Very high	88.4	Confident	1 Å²	1	34 Å²	34	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	108	177.7	0	0	0	0	0	111.1	V433 E434 Q435 K436 V530 I546	V433-A558 HydrophobicContact CG1-CB 3.6Å; E434-A558 PolarHBondContact O-N 3.07Å; Q435-A558 HydrophobicContact CG-CB 4.42Å; K436-A558 PolarHBondContact N-O 3.42Å; V530-A558 HydrophobicContact CB-CB 4.36Å; V530-A558 CarbonylContact O-C 3.55Å; V530-A558 VanDerWaalsContact O-CA 3.29Å; V530-A558 WeakPolarHBondContact O-CA 3.45Å; I546-A558 HydrophobicContact CB-CB 3.89Å; I546-A558 HydrophobicContact CG2-CB 3.61Å
559	V	96.5	Very high	88.6	Confident	18 Å²	18	37.7 Å²	37.7	11%	0.109	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	135.3	172.1	177	0	0	0	0	109.8	K436 V438 I452 H529 V530 V531 N532 F561	K436-V559 HydrophobicContact CB-CG2 4.22Å; K436-V559 CarbonylContact O-C 3.56Å; K436-V559 WeakPolarHBondContact O-CA 3.49Å; V438-V559 HydrophobicContact CG2-CG1 3.91Å; I452-V559 HydrophobicContact CD1-CG1 3.81Å; H529-V559 VanDerWaalsContact NE2-CG2 3.34Å; H529-V559 WeakPolarHBondContact NE2-CG2 3.15Å; V530-V559 PolarHBondContact O-N 3.4Å; V531-V559 CarbonylContact C-O 3.59Å; V531-V559 VanDerWaalsContact CA-O 3.27Å; V531-V559 WeakPolarHBondContact CA-O 3.35Å; N532-V559 PolarHBondContact N-O 3.12Å; V559-F561 HydrophobicContact CG1-CD1 4.47Å; V559-F561 HydrophobicContact CG1-CE1 4.18Å
560	S	97.4	Very high	88.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.3	-177.8	-57.1	0	0	0	0	112.1	K436 F437 V438 N532	K436-S560 PolarHBondContact O-N 3.48Å; F437-S560 WeakPolarHBondContact CA-O 3.43Å; V438-S560 PolarHBondContact N-O 3.24Å; N532-S560 PolarHBondContact ND2-OG 2.95Å
561	F	97.6	Very high	89.3	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	118	176.8	-65.5	-10.9	0	0	0	109.9	V438 V440 K445 Q448 L449 I452 V531 N532 F533 V559	V438-F561 HydrophobicContact CB-CD1 4.42Å; V438-F561 WeakPolarHBondContact O-CA 3.44Å; V440-F561 HydrophobicContact CG2-CB 3.5Å; V440-F561 HydrophobicContact CG2-CD1 4.09Å; V440-F561 HydrophobicContact CG2-CD2 4.25Å; V440-F561 HydrophobicContact CG2-CG 3.7Å; K445-F561 HydrophobicContact CB-CD2 3.88Å; K445-F561 HydrophobicContact CB-CE2 4.21Å; K445-F561 HydrophobicContact CD-CB 4.49Å; K445-F561 HydrophobicContact CD-CD2 4.3Å; K445-F561 HydrophobicContact CG-CB 4.38Å; K445-F561 HydrophobicContact CG-CD2 3.84Å; K445-F561 HydrophobicContact CG-CG 4.45Å; K445-F561 VanDerWaalsContact O-CE2 3.22Å; K445-F561 WeakPolarHBondContact O-CE2 3.3Å; Q448-F561 HydrophobicContact CB-CE1 4.27Å; Q448-F561 HydrophobicContact CB-CE2 4.45Å; Q448-F561 HydrophobicContact CB-CZ 3.93Å; Q448-F561 HydrophobicContact CG-CD1 4.34Å; Q448-F561 HydrophobicContact CG-CE1 3.52Å; Q448-F561 HydrophobicContact CG-CZ 3.65Å; L449-F561 HydrophobicContact CB-CE2 4.06Å; L449-F561 HydrophobicContact CB-CZ 4.19Å; I452-F561 HydrophobicContact CD1-CE1 3.62Å; I452-F561 HydrophobicContact CD1-CZ 3.88Å; V531-F561 HydrophobicContact CG1-CE1 4.43Å; V531-F561 HydrophobicContact CG1-CE2 4.42Å; V531-F561 HydrophobicContact CG1-CZ 4.13Å; N532-F561 WeakPolarHBondContact O-CB 3.34Å; N532-F561 PolarHBondContact O-N 2.91Å; F533-F561 HydrophobicContact CB-CD2 4.42Å; F533-F561 HydrophobicContact CD2-CD2 4.03Å; F533-F561 AromaticContact CD2-CE2 3.75Å; F533-F561 HydrophobicContact CD2-CE2 3.75Å; F533-F561 HydrophobicContact CE2-CE2 4.28Å; F533-F561 HydrophobicContact CG-CD2 4.26Å; F533-F561 HydrophobicContact CG-CE2 4.39Å; F533-F561 WeakPolarHBondContact O-CB 3.38Å; V559-F561 HydrophobicContact CG1-CD1 4.47Å; V559-F561 HydrophobicContact CG1-CE1 4.18Å
562	F	96.6	Very high	89.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.4	177.5	-176.9	-87.7	0	0	0	109.8	V438 Q439 V440 L535 P564 D567 A571 L574 W588 L589	V438-F562 PolarHBondContact O-N 2.91Å; Q439-F562 WeakPolarHBondContact CA-O 3.28Å; V440-F562 PolarHBondContact N-O 2.68Å; L535-F562 HydrophobicContact CD1-CB 4.12Å; L535-F562 HydrophobicContact CD1-CD2 3.69Å; L535-F562 HydrophobicContact CD1-CG 4.35Å; F562-P564 HydrophobicContact CD1-CG 4.11Å; F562-P564 HydrophobicContact CE1-CB 4.11Å; F562-P564 HydrophobicContact CE1-CG 3.95Å; F562-D567 HydrophobicContact CD2-CB 3.69Å; F562-D567 HydrophobicContact CE2-CB 3.75Å; F562-D567 HydrophobicContact CG-CB 4.28Å; F562-D567 HydrophobicContact CZ-CB 4.4Å; F562-A571 HydrophobicContact CE2-CB 4.1Å; F562-A571 HydrophobicContact CZ-CB 4.08Å; F562-L574 HydrophobicContact CD2-CD1 4.14Å; F562-L574 HydrophobicContact CE2-CD1 4.25Å; F562-W588 HydrophobicContact CB-CH2 3.78Å; F562-W588 HydrophobicContact CB-CZ3 3.89Å; F562-W588 HydrophobicContact CD1-CE3 4.21Å; F562-W588 HydrophobicContact CD1-CH2 4.19Å; F562-W588 AromaticContact CD1-CZ3 3.41Å; F562-W588 HydrophobicContact CD1-CZ3 3.41Å; F562-W588 VanDerWaalsContact CD1-CZ3 3.41Å; F562-W588 HydrophobicContact CD2-CZ3 4.43Å; F562-W588 HydrophobicContact CE1-CE3 4.46Å; F562-W588 AromaticContact CE1-CZ3 3.95Å; F562-W588 HydrophobicContact CE1-CZ3 3.95Å; F562-W588 HydrophobicContact CG-CH2 4.09Å; F562-W588 AromaticContact CG-CZ3 3.67Å; F562-W588 HydrophobicContact CG-CZ3 3.67Å; F562-L589 HydrophobicContact CD2-CD1 3.96Å; F562-L589 HydrophobicContact CE2-CD1 3.72Å; F562-L589 HydrophobicContact CZ-CD1 4.07Å
563	D	94	Very high	90.8	Very high	16 Å²	16	41.3 Å²	41.3	9%	0.086	24%	0.244	C	C	.	.			trans	-103	111.4	170.8	-169	-39.9	0	0	0	108.6	K442 E565 A566 D567	K442-D563 WeakPolarHBondContact CB-OD2 3.16Å; K442-D563 PolarHBondContact N-OD2 2.53Å; D563-E565 PolarHBondContact O-N 2.74Å; D563-E565 VanDerWaalsContact O-N 3.09Å; D563-E565 PolarHBondContact OD1-N 2.74Å; D563-A566 HydrophobicContact CB-CB 4.33Å; D563-A566 PolarHBondContact O-N 2.76Å; D563-D567 PolarHBondContact N-OD2 2.7Å; D563-D567 WeakPolarHBondContact O-CB 3.38Å; D563-D567 PolarHBondContact O-N 2.77Å
564	P	89.1	Confident	91.7	Very high	58 Å²	58	41.3 Å²	41.3	38%	0.377	24%	0.244	S	C	.	.	H	α-helix	trans	-57	-27.6	-174	-26.2	34.4	0	0	0	115.1	Q439 F562	Q439-P564 HydrophobicContact CG-CG 4.03Å; F562-P564 HydrophobicContact CD1-CG 4.11Å; F562-P564 HydrophobicContact CE1-CB 4.11Å; F562-P564 HydrophobicContact CE1-CG 3.95Å
565	E	87.6	Confident	92.2	Very high	191 Å²	191	40.1 Å²	40.1	89%	0.893	24%	0.239	S	C	*	.	H	α-helix	trans	-75.3	-27.4	178.8	-63.6	-172.8	177.9	0	0	112.8	D563	D563-E565 PolarHBondContact O-N 2.74Å; D563-E565 VanDerWaalsContact O-N 3.09Å; D563-E565 PolarHBondContact OD1-N 2.74Å
566	A	88.7	Confident	92.4	Very high	77 Å²	77	38.1 Å²	38.1	64%	0.636	23%	0.227	S	C	*	.	H	α-helix	trans	-103.4	-40.2	-176.2	0	0	0	0	0	113	D563	D563-A566 HydrophobicContact CB-CB 4.33Å; D563-A566 PolarHBondContact O-N 2.76Å
567	D	93.2	Very high	92.3	Very high	17 Å²	17	38.6 Å²	38.6	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-103.7	-4.9	-163.5	-56.7	-37.7	0	0	0	113.2	L535 F562 D563 G569 L570	L535-D567 HydrophobicContact CB-CB 4.46Å; L535-D567 HydrophobicContact CD1-CB 3.89Å; F562-D567 HydrophobicContact CD2-CB 3.69Å; F562-D567 HydrophobicContact CE2-CB 3.75Å; F562-D567 HydrophobicContact CG-CB 4.28Å; F562-D567 HydrophobicContact CZ-CB 4.4Å; D563-D567 PolarHBondContact N-OD2 2.7Å; D563-D567 WeakPolarHBondContact O-CB 3.38Å; D563-D567 PolarHBondContact O-N 2.77Å; D567-G569 PolarHBondContact O-N 3.05Å; D567-G569 VanDerWaalsContact O-N 3.13Å; D567-L570 WeakPolarHBondContact O-CB 3.21Å; D567-L570 PolarHBondContact O-N 3.1Å
568	G	89.9	Confident	92.1	Very high	11 Å²	11	34.1 Å²	34.1	11%	0.113	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-53.6	-35.3	-176.8	0	0	0	0	0	114.6	L570 A571 S596	G568-L570 PolarHBondContact O-N 3Å; G568-A571 VanDerWaalsContact O-CB 3.31Å; G568-A571 WeakPolarHBondContact O-CB 3.45Å; G568-A571 PolarHBondContact O-N 2.69Å; G568-A571 VanDerWaalsContact O-N 3.11Å; G568-S596 PolarHBondContact O-OG 2.93Å
569	G	90.2	Very high	91.7	Very high	80 Å²	80	37.4 Å²	37.4	83%	0.825	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-61.9	-22	175.6	0	0	0	0	0	114.6	D567	D567-G569 PolarHBondContact O-N 3.05Å; D567-G569 VanDerWaalsContact O-N 3.13Å
570	L	92.2	Very high	91.1	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.073	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-90.6	-18.2	177.6	-157.1	73.3	0	0	0	112.8	L535 P536 I539 D567 G568 R572 S573 L574	L535-L570 HydrophobicContact CB-CD2 4.41Å; L535-L570 HydrophobicContact CD2-CD2 4.47Å; P536-L570 HydrophobicContact CG-CD2 4.48Å; P536-L570 WeakPolarHBondContact O-CD2 3.49Å; I539-L570 HydrophobicContact CB-CD1 4.26Å; D567-L570 WeakPolarHBondContact O-CB 3.21Å; D567-L570 PolarHBondContact O-N 3.1Å; G568-L570 PolarHBondContact O-N 3Å; L570-R572 PolarHBondContact O-N 2.77Å; L570-S573 WeakPolarHBondContact O-CA 3.32Å; L570-S573 WeakPolarHBondContact O-CB 3.01Å; L570-S573 PolarHBondContact O-N 3.38Å; L570-L574 HydrophobicContact CB-CD1 4.3Å; L570-L574 HydrophobicContact CB-CG 4.43Å; L570-L574 HydrophobicContact CD2-CD1 4.02Å; L570-L574 HydrophobicContact CD2-CD2 3.73Å; L570-L574 HydrophobicContact CD2-CG 3.92Å; L570-L574 HydrophobicContact CG-CD1 4.24Å; L570-L574 HydrophobicContact CG-CD2 4.19Å; L570-L574 HydrophobicContact CG-CG 3.94Å; L570-L574 PolarHBondContact O-N 3.38Å
571	A	92.6	Very high	90.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-51.9	-47	-167.8	0	0	0	0	0	113.9	F562 G568 S573 L574 V575 L589 A593	F562-A571 HydrophobicContact CE2-CB 4.1Å; F562-A571 HydrophobicContact CZ-CB 4.08Å; G568-A571 VanDerWaalsContact O-CB 3.31Å; G568-A571 WeakPolarHBondContact O-CB 3.45Å; G568-A571 PolarHBondContact O-N 2.69Å; G568-A571 VanDerWaalsContact O-N 3.11Å; A571-S573 VanDerWaalsContact C-N 3.28Å; A571-S573 PolarHBondContact O-N 3.27Å; A571-L574 PolarHBondContact O-N 2.89Å; A571-V575 WeakPolarHBondContact O-CG2 3.46Å; A571-V575 PolarHBondContact O-N 3.43Å; A571-L589 HydrophobicContact CB-CD1 4.06Å; A571-A593 HydrophobicContact CB-CB 4.08Å
572	R	90.4	Very high	89.9	Confident	92 Å²	92	49.7 Å²	49.7	35%	0.347	29%	0.292	S	S	.	.	H	α-helix	trans	-64.5	-31	178.9	-168	175.6	-59.4	137.8	12.7	113.4	L570 T576 A593 S596	L570-R572 PolarHBondContact O-N 2.77Å; R572-T576 PolarHBondContact O-N 3.03Å; R572-T576 PolarHBondContact O-OG1 3.01Å; R572-A593 HydrophobicContact CB-CB 4.09Å; R572-A593 PolarHBondContact NE-O 2.97Å; R572-A593 PolarHBondContact NH2-O 3.44Å; R572-S596 PolarHBondContact NH2-O 3.14Å
573	S	90.9	Very high	89.6	Confident	45 Å²	45	51.7 Å²	51.7	32%	0.315	30%	0.301	S	S	.	.	H	α-helix	trans	-75.8	-37.7	175.1	-55.3	0	0	0	0	111.1	L570 A571 T576 V577	L570-S573 WeakPolarHBondContact O-CA 3.32Å; L570-S573 WeakPolarHBondContact O-CB 3.01Å; L570-S573 PolarHBondContact O-N 3.38Å; A571-S573 VanDerWaalsContact C-N 3.28Å; A571-S573 PolarHBondContact O-N 3.27Å; S573-T576 PolarHBondContact O-N 3.08Å; S573-V577 WeakPolarHBondContact O-CG2 3.47Å; S573-V577 PolarHBondContact O-N 3.04Å
574	L	92.3	Very high	89.4	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-64	-47.5	175.2	-63.1	168.3	0	0	0	111.8	F437 L535 I539 Y542 F562 L570 A571 T576 V577 L578 L589	F437-L574 HydrophobicContact CE1-CD1 3.73Å; F437-L574 HydrophobicContact CE1-CD2 4.04Å; F437-L574 HydrophobicContact CE1-CG 4.35Å; F437-L574 HydrophobicContact CZ-CB 4.41Å; F437-L574 HydrophobicContact CZ-CD1 4.19Å; F437-L574 HydrophobicContact CZ-CD2 3.74Å; F437-L574 HydrophobicContact CZ-CG 4.32Å; L535-L574 HydrophobicContact CD1-CD1 4.07Å; I539-L574 HydrophobicContact CD1-CD2 3.73Å; I539-L574 HydrophobicContact CD1-CG 4.32Å; Y542-L574 HydrophobicContact CD1-CD2 4.1Å; Y542-L574 HydrophobicContact CD2-CD2 4.05Å; Y542-L574 HydrophobicContact CE1-CD2 4.25Å; Y542-L574 HydrophobicContact CE2-CD2 4.18Å; Y542-L574 HydrophobicContact CG-CD2 4.02Å; F562-L574 HydrophobicContact CD2-CD1 4.14Å; F562-L574 HydrophobicContact CE2-CD1 4.25Å; L570-L574 HydrophobicContact CB-CD1 4.3Å; L570-L574 HydrophobicContact CB-CG 4.43Å; L570-L574 HydrophobicContact CD2-CD1 4.02Å; L570-L574 HydrophobicContact CD2-CD2 3.73Å; L570-L574 HydrophobicContact CD2-CG 3.92Å; L570-L574 HydrophobicContact CG-CD1 4.24Å; L570-L574 HydrophobicContact CG-CD2 4.19Å; L570-L574 HydrophobicContact CG-CG 3.94Å; L570-L574 PolarHBondContact O-N 3.38Å; A571-L574 PolarHBondContact O-N 2.89Å; L574-T576 VanDerWaalsContact C-N 3.33Å; L574-T576 PolarHBondContact O-N 3.42Å; L574-V577 PolarHBondContact O-N 3.26Å; L574-V577 VanDerWaalsContact O-N 3.12Å; L574-L578 WeakPolarHBondContact O-CG 3.32Å; L574-L578 PolarHBondContact O-N 3.47Å; L574-L589 HydrophobicContact CB-CD2 4.22Å; L574-L589 HydrophobicContact CD1-CD1 4.25Å
575	V	91.7	Very high	89.5	Confident	24 Å²	24	57.1 Å²	57.1	15%	0.145	32%	0.323	C	S	.	.	H	α-helix	trans	-54.9	-49.9	173.6	174.1	0	0	0	0	110.2	A571 V577 L578 S579 V585 L589 E590 A593	A571-V575 WeakPolarHBondContact O-CG2 3.46Å; A571-V575 PolarHBondContact O-N 3.43Å; V575-V577 VanDerWaalsContact C-N 3.28Å; V575-V577 PolarHBondContact O-N 2.88Å; V575-L578 PolarHBondContact O-N 2.61Å; V575-S579 PolarHBondContact O-N 3.16Å; V575-S579 PolarHBondContact O-OG 3Å; V575-S579 VanDerWaalsContact O-OG 3.06Å; V575-V585 HydrophobicContact CB-CG1 4.48Å; V575-V585 HydrophobicContact CG1-CG1 4.22Å; V575-V585 HydrophobicContact CG2-CG1 3.95Å; V575-L589 HydrophobicContact CG2-CD2 4.35Å; V575-L589 HydrophobicContact CG2-CG 4Å; V575-E590 HydrophobicContact CG2-CG 4.44Å; V575-A593 HydrophobicContact CG2-CB 4.06Å
576	T	89.6	Confident	89.8	Confident	61 Å²	61	48.8 Å²	48.8	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-56.3	-38.5	177.1	-55.8	0	0	0	0	113.1	R572 S573 L574 K580	R572-T576 PolarHBondContact O-N 3.03Å; R572-T576 PolarHBondContact O-OG1 3.01Å; S573-T576 PolarHBondContact O-N 3.08Å; L574-T576 VanDerWaalsContact C-N 3.33Å; L574-T576 PolarHBondContact O-N 3.42Å; T576-K580 HydrophobicContact CG2-CD 4.38Å; T576-K580 WeakPolarHBondContact O-CB 3.43Å; T576-K580 VanDerWaalsContact O-CG 3.27Å; T576-K580 WeakPolarHBondContact O-CG 3.37Å; T576-K580 PolarHBondContact O-N 2.66Å
577	V	88.1	Confident	90	Very high	10 Å²	10	49.4 Å²	49.4	6%	0.061	28%	0.283	C	S	.	.	H	α-helix	trans	-73.5	-45.3	178	168.3	0	0	0	0	111.7	A429 I539 Y542 V543 S573 L574 V575 K580 A581	A429-V577 HydrophobicContact CB-CG1 3.68Å; I539-V577 HydrophobicContact CD1-CB 4.45Å; I539-V577 HydrophobicContact CD1-CG2 3.82Å; I539-V577 HydrophobicContact CG1-CG2 3.63Å; Y542-V577 HydrophobicContact CE1-CG1 4.21Å; V543-V577 HydrophobicContact CG2-CG1 4.41Å; S573-V577 WeakPolarHBondContact O-CG2 3.47Å; S573-V577 PolarHBondContact O-N 3.04Å; L574-V577 PolarHBondContact O-N 3.26Å; L574-V577 VanDerWaalsContact O-N 3.12Å; V575-V577 VanDerWaalsContact C-N 3.28Å; V575-V577 PolarHBondContact O-N 2.88Å; V577-K580 PolarHBondContact O-N 2.94Å; V577-A581 WeakPolarHBondContact O-CB 3.44Å; V577-A581 PolarHBondContact O-N 3.32Å
578	L	89.6	Confident	90	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-50	178	-73.6	168	0	0	0	111.6	Q435 F437 L574 V575 K580 A581 Q582 Q583 V585 L589	Q435-L578 HydrophobicContact CB-CD2 3.72Å; F437-L578 HydrophobicContact CD2-CD1 4Å; F437-L578 HydrophobicContact CD2-CD2 4.3Å; F437-L578 HydrophobicContact CE2-CD1 3.89Å; F437-L578 HydrophobicContact CE2-CD2 3.95Å; F437-L578 HydrophobicContact CE2-CG 4.19Å; L574-L578 WeakPolarHBondContact O-CG 3.32Å; L574-L578 PolarHBondContact O-N 3.47Å; V575-L578 PolarHBondContact O-N 2.61Å; L578-K580 VanDerWaalsContact C-N 3.33Å; L578-K580 PolarHBondContact O-N 3.29Å; L578-A581 CarbonylContact O-C 3.54Å; L578-A581 PolarHBondContact O-N 3.35Å; L578-A581 VanDerWaalsContact O-N 3.13Å; L578-Q582 PolarHBondContact O-N 2.93Å; L578-Q583 HydrophobicContact CB-CB 4.22Å; L578-Q583 HydrophobicContact CD2-CB 3.52Å; L578-Q583 HydrophobicContact CD2-CG 4.05Å; L578-Q583 PolarHBondContact O-N 3.12Å; L578-V585 HydrophobicContact CB-CG2 3.85Å; L578-V585 HydrophobicContact CD1-CG1 4.44Å; L578-V585 HydrophobicContact CD1-CG2 4.43Å; L578-L589 HydrophobicContact CD1-CD2 3.69Å
579	S	87.9	Confident	90.1	Very high	69 Å²	69	50.6 Å²	50.6	48%	0.483	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-39.1	179	-52.1	0	0	0	0	112.3	V575 Q582	V575-S579 PolarHBondContact O-N 3.16Å; V575-S579 PolarHBondContact O-OG 3Å; V575-S579 VanDerWaalsContact O-OG 3.06Å; S579-Q582 PolarHBondContact O-N 3.22Å
580	K	84.1	Confident	90.2	Very high	85 Å²	85	50.5 Å²	50.5	37%	0.37	26%	0.261	S	S	.	.	H	α-helix	trans	-67.3	-33.9	175	-79.8	178.8	172.7	-171.9	0	113.2	T576 V577 L578 Q582 F607	T576-K580 HydrophobicContact CG2-CD 4.38Å; T576-K580 WeakPolarHBondContact O-CB 3.43Å; T576-K580 VanDerWaalsContact O-CG 3.27Å; T576-K580 WeakPolarHBondContact O-CG 3.37Å; T576-K580 PolarHBondContact O-N 2.66Å; V577-K580 PolarHBondContact O-N 2.94Å; L578-K580 VanDerWaalsContact C-N 3.33Å; L578-K580 PolarHBondContact O-N 3.29Å; K580-Q582 VanDerWaalsContact C-N 3.26Å; K580-F607 PolarHBondContact NZ-O 3.41Å
581	A	83.4	Confident	90	Very high	11 Å²	11	55.8 Å²	55.8	9%	0.091	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	9	176.6	0	0	0	0	0	113.2	A429 V577 L578 Q583	A429-A581 HydrophobicContact CB-CB 4.26Å; V577-A581 WeakPolarHBondContact O-CB 3.44Å; V577-A581 PolarHBondContact O-N 3.32Å; L578-A581 CarbonylContact O-C 3.54Å; L578-A581 PolarHBondContact O-N 3.35Å; L578-A581 VanDerWaalsContact O-N 3.13Å; A581-Q583 HydrophobicContact CB-CG 3.81Å; A581-Q583 PolarHBondContact O-N 3.17Å; A581-Q583 PolarHBondContact O-NE2 3.39Å
582	Q	86.1	Confident	89.7	Confident	181 Å²	181	56.7 Å²	56.7	85%	0.846	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	36.5	-178.7	-60.7	-178.2	-23.5	0	0	113.4	L578 S579 K580	L578-Q582 PolarHBondContact O-N 2.93Å; S579-Q582 PolarHBondContact O-N 3.22Å; K580-Q582 VanDerWaalsContact C-N 3.26Å
583	Q	89.3	Confident	89.6	Confident	42 Å²	42	52.7 Å²	52.7	20%	0.196	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-93.5	159.1	178.8	-56.4	-62.9	-69	0	0	111.3	V433 Q435 L578 A581 V585	V433-Q583 PolarHBondContact O-OE1 2.77Å; Q435-Q583 HydrophobicContact CB-CG 4.14Å; L578-Q583 HydrophobicContact CB-CB 4.22Å; L578-Q583 HydrophobicContact CD2-CB 3.52Å; L578-Q583 HydrophobicContact CD2-CG 4.05Å; L578-Q583 PolarHBondContact O-N 3.12Å; A581-Q583 HydrophobicContact CB-CG 3.81Å; A581-Q583 PolarHBondContact O-N 3.17Å; A581-Q583 PolarHBondContact O-NE2 3.39Å; Q583-V585 PolarHBondContact O-N 2.88Å
584	E	89.7	Confident	89.3	Confident	160 Å²	160	57.4 Å²	57.4	75%	0.748	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-64.7	129.1	171.2	-171.2	-179.4	169.8	0	0	110.5
585	V	92.8	Very high	88.5	Confident	27 Å²	27	62 Å²	62	16%	0.164	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-102	116.8	174.1	-170.6	0	0	0	0	108.3	V575 L578 Q583 E590	V575-V585 HydrophobicContact CB-CG1 4.48Å; V575-V585 HydrophobicContact CG1-CG1 4.22Å; V575-V585 HydrophobicContact CG2-CG1 3.95Å; L578-V585 HydrophobicContact CB-CG2 3.85Å; L578-V585 HydrophobicContact CD1-CG1 4.44Å; L578-V585 HydrophobicContact CD1-CG2 4.43Å; Q583-V585 PolarHBondContact O-N 2.88Å; V585-E590 HydrophobicContact CB-CG 4.47Å; V585-E590 HydrophobicContact CG1-CG 3.53Å
586	P	93.6	Very high	87.1	Confident	17 Å²	17	62.8 Å²	62.8	11%	0.11	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-66.4	135.4	177.1	-21.4	33.2	0	0	0	111.3	F437 W588 L589 E590	F437-P586 HydrophobicContact CB-CG 4.19Å; P586-W588 VanDerWaalsContact C-N 3.28Å; P586-W588 HydrophobicContact CB-CD2 4.18Å; P586-W588 HydrophobicContact CB-CG 4.32Å; P586-W588 HydrophobicContact CB-CZ2 3.94Å; P586-W588 VanDerWaalsContact CB-NE1 3.32Å; P586-W588 HydrophobicContact CG-CZ2 4.05Å; P586-W588 PolarHBondContact O-N 2.98Å; P586-L589 HydrophobicContact CB-CB 4.43Å; P586-L589 VanDerWaalsContact O-CB 3.32Å; P586-L589 WeakPolarHBondContact O-CB 3.4Å; P586-L589 PolarHBondContact O-N 2.96Å; P586-E590 PolarHBondContact O-N 3.47Å
587	P	92.6	Very high	85.2	Confident	89 Å²	89	68 Å²	68	58%	0.578	35%	0.351	S	S	*	.	H	α-helix	trans	-55.1	-39	-177.1	-29.9	35.9	0	0	0	114.3	L589 E590 E591	P587-L589 PolarHBondContact O-N 3.42Å; P587-E590 WeakPolarHBondContact O-CB 3.4Å; P587-E590 PolarHBondContact O-N 2.95Å; P587-E590 VanDerWaalsContact O-N 3.12Å; P587-E591 WeakPolarHBondContact O-CG 3.4Å; P587-E591 PolarHBondContact O-N 3.17Å
588	W	93.4	Very high	83.3	Confident	53 Å²	53	71 Å²	71	20%	0.201	39%	0.385	C	S	.	.	H	α-helix	trans	-63.3	-24	177	60.6	-103.6	0	0	0	113.4	F437 Q439 F562 P586 S592	F437-W588 HydrophobicContact CB-CH2 3.86Å; F437-W588 HydrophobicContact CB-CZ2 3.93Å; Q439-W588 HydrophobicContact CB-CD2 4Å; Q439-W588 HydrophobicContact CB-CE3 4.09Å; Q439-W588 HydrophobicContact CB-CH2 4.02Å; Q439-W588 HydrophobicContact CB-CZ2 3.89Å; Q439-W588 HydrophobicContact CB-CZ3 4.12Å; Q439-W588 HydrophobicContact CG-CD2 4.42Å; Q439-W588 HydrophobicContact CG-CE3 4.19Å; Q439-W588 HydrophobicContact CG-CZ3 4.38Å; F562-W588 HydrophobicContact CB-CH2 3.78Å; F562-W588 HydrophobicContact CB-CZ3 3.89Å; F562-W588 HydrophobicContact CD1-CE3 4.21Å; F562-W588 HydrophobicContact CD1-CH2 4.19Å; F562-W588 AromaticContact CD1-CZ3 3.41Å; F562-W588 HydrophobicContact CD1-CZ3 3.41Å; F562-W588 VanDerWaalsContact CD1-CZ3 3.41Å; F562-W588 HydrophobicContact CD2-CZ3 4.43Å; F562-W588 HydrophobicContact CE1-CE3 4.46Å; F562-W588 AromaticContact CE1-CZ3 3.95Å; F562-W588 HydrophobicContact CE1-CZ3 3.95Å; F562-W588 HydrophobicContact CG-CH2 4.09Å; F562-W588 AromaticContact CG-CZ3 3.67Å; F562-W588 HydrophobicContact CG-CZ3 3.67Å; P586-W588 VanDerWaalsContact C-N 3.28Å; P586-W588 HydrophobicContact CB-CD2 4.18Å; P586-W588 HydrophobicContact CB-CG 4.32Å; P586-W588 HydrophobicContact CB-CZ2 3.94Å; P586-W588 VanDerWaalsContact CB-NE1 3.32Å; P586-W588 HydrophobicContact CG-CZ2 4.05Å; P586-W588 PolarHBondContact O-N 2.98Å; W588-S592 WeakPolarHBondContact O-CB 3.24Å; W588-S592 PolarHBondContact O-N 3.36Å; W588-S592 PolarHBondContact O-OG 3.49Å
589	L	92.6	Very high	81	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-79.2	-35.4	176.3	-175.3	63.7	0	0	0	110.7	F437 F562 A571 L574 V575 L578 P586 P587 S592 A593	F437-L589 HydrophobicContact CG-CD2 4.43Å; F562-L589 HydrophobicContact CD2-CD1 3.96Å; F562-L589 HydrophobicContact CE2-CD1 3.72Å; F562-L589 HydrophobicContact CZ-CD1 4.07Å; A571-L589 HydrophobicContact CB-CD1 4.06Å; L574-L589 HydrophobicContact CB-CD2 4.22Å; L574-L589 HydrophobicContact CD1-CD1 4.25Å; V575-L589 HydrophobicContact CG2-CD2 4.35Å; V575-L589 HydrophobicContact CG2-CG 4Å; L578-L589 HydrophobicContact CD1-CD2 3.69Å; P586-L589 HydrophobicContact CB-CB 4.43Å; P586-L589 VanDerWaalsContact O-CB 3.32Å; P586-L589 WeakPolarHBondContact O-CB 3.4Å; P586-L589 PolarHBondContact O-N 2.96Å; P587-L589 PolarHBondContact O-N 3.42Å; L589-S592 PolarHBondContact O-N 3.19Å; L589-A593 WeakPolarHBondContact O-CB 3.44Å; L589-A593 PolarHBondContact O-N 3.34Å
590	E	90.4	Very high	78.9	Confident	78 Å²	78	76.5 Å²	76.5	36%	0.364	44%	0.444	S	S	.	.	H	α-helix	trans	-64.8	-49.4	169.6	-56.1	-162.9	148.2	0	0	110.6	V575 V585 P586 P587 S592 A593 F594	V575-E590 HydrophobicContact CG2-CG 4.44Å; V585-E590 HydrophobicContact CB-CG 4.47Å; V585-E590 HydrophobicContact CG1-CG 3.53Å; P586-E590 PolarHBondContact O-N 3.47Å; P587-E590 WeakPolarHBondContact O-CB 3.4Å; P587-E590 PolarHBondContact O-N 2.95Å; P587-E590 VanDerWaalsContact O-N 3.12Å; E590-S592 PolarHBondContact O-N 3.11Å; E590-A593 CarbonylContact O-C 3.57Å; E590-A593 WeakPolarHBondContact O-CA 3.43Å; E590-A593 WeakPolarHBondContact O-CB 3.43Å; E590-A593 PolarHBondContact O-N 2.91Å; E590-F594 HydrophobicContact CB-CD2 4.33Å; E590-F594 HydrophobicContact CB-CE2 4.12Å; E590-F594 WeakPolarHBondContact O-CD2 3.43Å; E590-F594 PolarHBondContact O-N 2.66Å
591	E	89.2	Confident	76.9	Confident	126 Å²	126	79.1 Å²	79.1	59%	0.589	46%	0.455	S	S	*	.	H	α-helix	trans	-54.2	-39.8	173.8	-71.1	174.5	-176.4	0	0	112.1	P587 F594 S595	P587-E591 WeakPolarHBondContact O-CG 3.4Å; P587-E591 PolarHBondContact O-N 3.17Å; E591-F594 PolarHBondContact O-N 2.96Å; E591-S595 VanDerWaalsContact O-CB 3.24Å; E591-S595 WeakPolarHBondContact O-CB 3.07Å; E591-S595 PolarHBondContact O-N 2.67Å; E591-S595 PolarHBondContact O-OG 2.82Å
592	S	86.5	Confident	74.9	Confident	19 Å²	19	84.1 Å²	84.1	13%	0.133	48%	0.481	C	S	.	.	H	α-helix	trans	-67	-39.4	174.7	-61.6	0	0	0	0	112.3	W588 L589 E590 S595 S596	W588-S592 WeakPolarHBondContact O-CB 3.24Å; W588-S592 PolarHBondContact O-N 3.36Å; W588-S592 PolarHBondContact O-OG 3.49Å; L589-S592 PolarHBondContact O-N 3.19Å; E590-S592 PolarHBondContact O-N 3.11Å; S592-S595 PolarHBondContact O-N 2.96Å; S592-S596 WeakPolarHBondContact O-CB 3.42Å; S592-S596 PolarHBondContact O-N 3.07Å; S592-S596 VanDerWaalsContact O-N 3.15Å; S592-S596 PolarHBondContact O-OG 2.63Å
593	A	87.4	Confident	72.4	Confident	7 Å²	7	80.1 Å²	80.1	6%	0.058	47%	0.47	C	S	.	.	H	α-helix	trans	-69.7	-32.2	176.5	0	0	0	0	0	113.2	A571 R572 V575 L589 E590	A571-A593 HydrophobicContact CB-CB 4.08Å; R572-A593 HydrophobicContact CB-CB 4.09Å; R572-A593 PolarHBondContact NE-O 2.97Å; R572-A593 PolarHBondContact NH2-O 3.44Å; V575-A593 HydrophobicContact CG2-CB 4.06Å; L589-A593 WeakPolarHBondContact O-CB 3.44Å; L589-A593 PolarHBondContact O-N 3.34Å; E590-A593 CarbonylContact O-C 3.57Å; E590-A593 WeakPolarHBondContact O-CA 3.43Å; E590-A593 WeakPolarHBondContact O-CB 3.43Å; E590-A593 PolarHBondContact O-N 2.91Å
594	F	84.3	Confident	69.8	Low	145 Å²	145	88.9 Å²	88.9	64%	0.636	50%	0.502	S	S	*	.	H	α-helix	trans	-76.2	-39.8	171.5	-70.5	-61.3	0	0	0	112.2	E590 E591 S596 H597	E590-F594 HydrophobicContact CB-CD2 4.33Å; E590-F594 HydrophobicContact CB-CE2 4.12Å; E590-F594 WeakPolarHBondContact O-CD2 3.43Å; E590-F594 PolarHBondContact O-N 2.66Å; E591-F594 PolarHBondContact O-N 2.96Å; F594-S596 VanDerWaalsContact C-N 3.27Å; F594-S596 PolarHBondContact O-N 3.19Å; F594-H597 PolarHBondContact O-CE1 2.73Å; F594-H597 VanDerWaalsContact O-CE1 3.31Å; F594-H597 PolarHBondContact O-ND1 3.4Å
595	S	76	Confident	67.4	Low	98 Å²	98	89.2 Å²	89.2	69%	0.685	50%	0.501	S	S	*	.	H	α-helix	trans	-69.1	-24	179.8	-59.9	0	0	0	0	113.4	E591 S592 H597	E591-S595 VanDerWaalsContact O-CB 3.24Å; E591-S595 WeakPolarHBondContact O-CB 3.07Å; E591-S595 PolarHBondContact O-N 2.67Å; E591-S595 PolarHBondContact O-OG 2.82Å; S592-S595 PolarHBondContact O-N 2.96Å; S595-H597 PolarHBondContact O-N 3.43Å
596	S	62.9	Low	64.6	Low	40 Å²	40	93.5 Å²	93.5	28%	0.28	53%	0.527	S	S	.	.			trans	-75.8	55.2	-178.7	-61.7	0	0	0	0	114.1	G568 R572 S592 F594 G598	G568-S596 PolarHBondContact O-OG 2.93Å; R572-S596 PolarHBondContact NH2-O 3.14Å; S592-S596 WeakPolarHBondContact O-CB 3.42Å; S592-S596 PolarHBondContact O-N 3.07Å; S592-S596 VanDerWaalsContact O-N 3.15Å; S592-S596 PolarHBondContact O-OG 2.63Å; F594-S596 VanDerWaalsContact C-N 3.27Å; F594-S596 PolarHBondContact O-N 3.19Å; S596-G598 VanDerWaalsContact C-N 3.33Å; S596-G598 PolarHBondContact O-N 2.82Å
597	H	49.7	Very low	62	Low	169 Å²	169	96.8 Å²	96.8	78%	0.782	54%	0.54	S	S	*	.			trans	-87	63.1	171.7	-84.7	86.3	0	0	0	111.1	F594 S595	F594-H597 PolarHBondContact O-CE1 2.73Å; F594-H597 VanDerWaalsContact O-CE1 3.31Å; F594-H597 PolarHBondContact O-ND1 3.4Å; S595-H597 PolarHBondContact O-N 3.43Å
598	G	47	Very low	59.7	Low	75 Å²	75	94.3 Å²	94.3	77%	0.773	53%	0.53	S	S	*	.			trans	-149.8	6.1	-169.4	0	0	0	0	0	118.3	S596	S596-G598 VanDerWaalsContact C-N 3.33Å; S596-G598 PolarHBondContact O-N 2.82Å
599	A	41	Very low	57.6	Low	93 Å²	93	93.4 Å²	93.4	77%	0.769	53%	0.532	S	S	*	.	S	Bend	trans	-144.9	150.5	176	0	0	0	0	0	111.4	F601	A599-F601 PolarHBondContact O-N 3.47Å
600	G	44.2	Very low	55.8	Low	92 Å²	92	97.1 Å²	97.1	95%	0.948	55%	0.554	S	S	*	*			trans	-64.9	100.4	-167.8	0	0	0	0	0	114.5
601	F	42.9	Very low	54.6	Low	139 Å²	139	93.5 Å²	93.5	61%	0.61	54%	0.538	S	S	*	.			trans	-89.7	123.1	170.1	179.6	-112.6	0	0	0	110.5	A599 P603	A599-F601 PolarHBondContact O-N 3.47Å; F601-P603 HydrophobicContact CD1-CG 3.98Å; F601-P603 HydrophobicContact CE1-CB 3.88Å; F601-P603 HydrophobicContact CE1-CG 3.78Å; F601-P603 HydrophobicContact CZ-CB 4.43Å
602	N	40.5	Very low	53.4	Low	117 Å²	117	90.5 Å²	90.5	63%	0.626	53%	0.531	S	S	*	.			trans	-106	108.5	171.7	-170.1	-9.3	0	0	0	108.6	R604 K605	N602-R604 PolarHBondContact O-N 3.25Å; N602-K605 PolarHBondContact O-N 2.97Å
603	P	35.3	Very low	52.6	Low	96 Å²	96	93.6 Å²	93.6	62%	0.623	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-5.6	-166.8	-25.8	34.3	0	0	0	117.1	F601	F601-P603 HydrophobicContact CD1-CG 3.98Å; F601-P603 HydrophobicContact CE1-CB 3.88Å; F601-P603 HydrophobicContact CE1-CG 3.78Å; F601-P603 HydrophobicContact CZ-CB 4.43Å
604	R	34	Very low	51.2	Low	227 Å²	227	97.2 Å²	97.2	86%	0.857	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-8.9	-178.3	-90.7	-178	166.8	173.3	-4.6	115.8	N602 T606	N602-R604 PolarHBondContact O-N 3.25Å; R604-T606 PolarHBondContact O-N 2.84Å
605	K	39.8	Very low	49.2	Very low	167 Å²	167	97.8 Å²	97.8	73%	0.726	56%	0.561	S	S	*	*			trans	-80	69.7	172.2	-78.2	-162.1	172.9	-172.5	0	111.4	N602 F607	N602-K605 PolarHBondContact O-N 2.97Å; K605-F607 PolarHBondContact O-N 2.82Å
606	T	34.2	Very low	47.3	Very low	117 Å²	117	96.6 Å²	96.6	72%	0.718	56%	0.564	S	S	*	*			trans	-56.6	117.8	164.4	-56.5	0	0	0	0	108.5	R604 G608	R604-T606 PolarHBondContact O-N 2.84Å; T606-G608 PolarHBondContact O-N 3.05Å
607	F	38	Very low	45.8	Very low	86 Å²	86	98.9 Å²	98.9	38%	0.377	58%	0.58	S	S	.	*	S	Bend	trans	-80.5	63.9	-175.1	-144.7	-79.9	0	0	0	110.9	I539 D540 K580 K605	I539-F607 HydrophobicContact CG2-CE2 4Å; I539-F607 HydrophobicContact CG2-CZ 3.85Å; D540-F607 WeakPolarHBondContact OD1-CZ 3.36Å; K580-F607 PolarHBondContact NZ-O 3.41Å; K605-F607 PolarHBondContact O-N 2.82Å
608	G	43.9	Very low	45	Very low	36 Å²	36	100 Å²	100	37%	0.371	58%	0.583	S	S	.	*	S	Bend	trans	-166.5	89.7	-178.7	0	0	0	0	0	106.1	T606 T610	T606-G608 PolarHBondContact O-N 3.05Å; G608-T610 PolarHBondContact O-N 2.71Å
609	S	50.7	Low	44.3	Very low	34 Å²	34	105.2 Å²	105.2	24%	0.238	59%	0.587	C	S	.	*			trans	-78.4	89	-167.2	-173.6	0	0	0	0	111.6	Q407	Q407-S609 PolarHBondContact NE2-OG 2.87Å
610	T	55	Low	43.9	Very low	78 Å²	78	110 Å²	110	48%	0.479	59%	0.593	S	S	.	*			trans	-51.5	138.3	162.7	-42.1	0	0	0	0	109.8	G608 S612 K614	G608-T610 PolarHBondContact O-N 2.71Å; T610-S612 PolarHBondContact O-N 3.02Å; T610-S612 VanDerWaalsContact O-N 3.15Å; T610-K614 HydrophobicContact CG2-CB 4.06Å; T610-K614 HydrophobicContact CG2-CD 3.89Å
611	D	64.4	Low	43.4	Very low	2 Å²	2	113.1 Å²	113.1	1%	0.011	59%	0.588	C	S	.	*			trans	-52.6	120.8	168.7	179.6	-9.8	0	0	0	109	S197 F420 R613 K614	S197-D611 WeakPolarHBondContact OG-CB 3.34Å; S197-D611 PolarHBondContact OG-OD2 2.75Å; S197-D611 VanDerWaalsContact OG-OD2 3.08Å; F420-D611 HydrophobicContact CD1-CB 4.14Å; D611-R613 PolarHBondContact O-N 2.89Å; D611-R613 VanDerWaalsContact O-N 3.1Å; D611-R613 VanDerWaalsContact OD1-CB 3.25Å; D611-R613 WeakPolarHBondContact OD1-CB 3.4Å; D611-R613 VanDerWaalsContact OD1-CG 3.31Å; D611-R613 WeakPolarHBondContact OD1-CG 3.31Å; D611-R613 PolarHBondContact OD1-N 3.13Å; D611-R613 IonicContact OD1-NE 3.29Å; D611-R613 PolarHBondContact OD1-NE 3.25Å; D611-R613 VanDerWaalsContact OD1-NE 3.16Å; D611-R613 IonicContact OD2-CZ 1.77Å; D611-R613 VanDerWaalsContact OD2-CZ 3.23Å; D611-R613 IonicContact OD2-NE 3.74Å; D611-R613 PolarHBondContact OD2-NE 3.25Å; D611-R613 IonicContact OD2-NH2 2.4Å; D611-R613 PolarHBondContact OD2-NH2 3.15Å; D611-K614 HydrophobicContact CB-CD 4.43Å; D611-K614 HydrophobicContact CB-CG 4.32Å; D611-K614 VanDerWaalsContact O-CB 3.32Å; D611-K614 WeakPolarHBondContact O-CB 3.4Å; D611-K614 PolarHBondContact O-N 2.73Å
612	S	63.7	Low	42.7	Very low	64 Å²	64	112.2 Å²	112.2	45%	0.448	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-61.5	-20.5	-177.4	36.8	0	0	0	0	112.6	Q407 T610 K614 M615	Q407-S612 PolarHBondContact OE1-OG 3.18Å; T610-S612 PolarHBondContact O-N 3.02Å; T610-S612 VanDerWaalsContact O-N 3.15Å; S612-K614 VanDerWaalsContact C-N 3.32Å; S612-K614 PolarHBondContact O-N 3.48Å; S612-M615 PolarHBondContact O-N 3.26Å
613	R	70.7	Confident	42.2	Very low	83 Å²	83	109.3 Å²	109.3	31%	0.313	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-66.3	-29.4	170.6	-57.6	177.4	-63.5	174.2	4.1	112.8	S197 P416 Y418 D611 M615 G616	S197-R613 PolarHBondContact O-NH2 3.26Å; P416-R613 PolarHBondContact O-NH1 3.09Å; P416-R613 VanDerWaalsContact O-NH1 3.13Å; Y418-R613 VanDerWaalsContact CD1-NH1 3.31Å; Y418-R613 VanDerWaalsContact O-CZ 3.31Å; Y418-R613 PolarHBondContact O-NH1 2.83Å; Y418-R613 PolarHBondContact O-NH2 3.31Å; D611-R613 PolarHBondContact O-N 2.89Å; D611-R613 VanDerWaalsContact O-N 3.1Å; D611-R613 VanDerWaalsContact OD1-CB 3.25Å; D611-R613 WeakPolarHBondContact OD1-CB 3.4Å; D611-R613 VanDerWaalsContact OD1-CG 3.31Å; D611-R613 WeakPolarHBondContact OD1-CG 3.31Å; D611-R613 PolarHBondContact OD1-N 3.13Å; D611-R613 IonicContact OD1-NE 3.29Å; D611-R613 PolarHBondContact OD1-NE 3.25Å; D611-R613 VanDerWaalsContact OD1-NE 3.16Å; D611-R613 IonicContact OD2-CZ 1.77Å; D611-R613 VanDerWaalsContact OD2-CZ 3.23Å; D611-R613 IonicContact OD2-NE 3.74Å; D611-R613 PolarHBondContact OD2-NE 3.25Å; D611-R613 IonicContact OD2-NH2 2.4Å; D611-R613 PolarHBondContact OD2-NH2 3.15Å; R613-M615 PolarHBondContact O-N 2.79Å; R613-G616 PolarHBondContact O-N 3.02Å
614	K	56.4	Low	42	Very low	84 Å²	84	111.4 Å²	111.4	37%	0.365	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-65.8	-18.6	176	-75.6	177.6	165.9	170	0	113.2	D195 S197 T610 D611 S612	D195-K614 IonicContact OD1-NZ 3.33Å; D195-K614 PolarHBondContact OD1-NZ 3.34Å; D195-K614 IonicContact OD2-NZ 2.75Å; D195-K614 PolarHBondContact OD2-NZ 2.83Å; S197-K614 VanDerWaalsContact CB-CE 3.5Å; T610-K614 HydrophobicContact CG2-CB 4.06Å; T610-K614 HydrophobicContact CG2-CD 3.89Å; D611-K614 HydrophobicContact CB-CD 4.43Å; D611-K614 HydrophobicContact CB-CG 4.32Å; D611-K614 VanDerWaalsContact O-CB 3.32Å; D611-K614 WeakPolarHBondContact O-CB 3.4Å; D611-K614 PolarHBondContact O-N 2.73Å; S612-K614 VanDerWaalsContact C-N 3.32Å; S612-K614 PolarHBondContact O-N 3.48Å
615	M	43	Very low	41.8	Very low	157 Å²	157	106 Å²	106	77%	0.773	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-86.4	-10.8	177.2	-77.3	-166.6	167.4	0	0	114.4	S612 R613 S617	S612-M615 PolarHBondContact O-N 3.26Å; R613-M615 PolarHBondContact O-N 2.79Å; M615-S617 PolarHBondContact O-N 3.01Å
616	G	35.2	Very low	41.3	Very low	73 Å²	73	107.1 Å²	107.1	75%	0.753	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-10.1	-176.2	0	0	0	0	0	115.9	R613	R613-G616 PolarHBondContact O-N 3.02Å
617	S	32.9	Very low	41.2	Very low	88 Å²	88	107.6 Å²	107.6	62%	0.615	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	21.1	-168.3	67.3	0	0	0	0	115.1	M615	M615-S617 PolarHBondContact O-N 3.01Å
618	F	31.4	Very low	40.9	Very low	192 Å²	192	108.3 Å²	108.3	84%	0.842	64%	0.642	S	S	*	*			trans	-129	55.6	179.3	-88.6	-80.8	0	0	0	112.6
619	Q	32.4	Very low	40.2	Very low	184 Å²	184	111.4 Å²	111.4	86%	0.86	66%	0.664	S	S	*	*			trans	-141.4	145.3	158.5	-116.1	174	-17.8	0	0	109.1
620	E	34	Very low	39.3	Very low	195 Å²	195	119.2 Å²	119.2	91%	0.911	70%	0.697	S	S	*	*	S	Bend	trans	57.6	93.5	-169.9	-52.8	-168.7	152.4	0	0	113.3
621	N	32.3	Very low	38.2	Very low	157 Å²	157	120.3 Å²	120.3	84%	0.84	71%	0.714	S	S	*	*				-173.3	123.2	70.6	176.7	12.9	0	0	0	110.5
622	S	29.5	Very low	36.6	Very low	119 Å²	119	124.5 Å²	124.5	83%	0.832	75%	0.749	S	S	*	*			trans	-149.4	80.7	174.6	53	0	0	0	0	112.6
623	G	29.6	Very low	35.1	Very low	56 Å²	56	125.7 Å²	125.7	58%	0.577	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-65.7	151.5	159.6	0	0	0	0	0	111.3	S625	G623-S625 PolarHBondContact O-N 3.48Å
624	P	31.8	Very low	33.4	Very low	140 Å²	140	129.4 Å²	129.4	91%	0.909	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-75.3	118.6	-172.7	29.3	-34.5	0	0	0	112.5
625	S	30	Very low	32.6	Very low	115 Å²	115	132.9 Å²	132.9	80%	0.804	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-97.9	147.6	164.2	49.1	0	0	0	0	110.9	G623	G623-S625 PolarHBondContact O-N 3.48Å
626	Q	28.8	Very low	32.2	Very low	190 Å²	190	135 Å²	135	89%	0.888	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-78.1	151.6	-175.7	-69.1	175.2	-38.6	0	0	112.2
627	P	32.4	Very low	32.3	Very low	127 Å²	127	140.6 Å²	140.6	83%	0.825	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68.9	137.3	174.2	29.4	-34.5	0	0	0	111.4
628	A	30.5	Very low	32.7	Very low	101 Å²	101	148 Å²	148	84%	0.835	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-78.9	157.2	173.5	0	0	0	0	0	111.9
629	A	30.7	Very low	32.9	Very low	101 Å²	101	151.7 Å²	151.7	84%	0.835	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-73.2	157.6	-175.7	0	0	0	0	0	113.6
630	Q	30.7	Very low	33	Very low	198 Å²	198	150.1 Å²	150.1	93%	0.925	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-71.3	140.5	171.5	-64.9	167.4	-71.3	0	0	110.3
631	A	31.2	Very low	32.9	Very low	101 Å²	101	147.7 Å²	147.7	84%	0.835	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-78.4	142.9	166.2	0	0	0	0	0	110.1
632	A	31.1	Very low	32.9	Very low	90 Å²	90	147.2 Å²	147.2	74%	0.744	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-77.4	162.4	170.2	0	0	0	0	0	110.9
633	A	33.3	Very low	33.1	Very low	88 Å²	88	148.9 Å²	148.9	73%	0.727	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-94.3	139.6	161.3	0	0	0	0	0	108.4
634	D	35	Very low	33.4	Very low	161 Å²	161	154.7 Å²	154.7	86%	0.861	88%	0.878	S	S	*	*			trans	-104.7	124.2	167.7	-68.6	-46.4	0	0	0	108.1
635	D	38.8	Very low	33.5	Very low	158 Å²	158	155.7 Å²	155.7	85%	0.845	88%	0.876	S	S	*	*			trans	-88.8	131.5	171.2	-62	-59.6	0	0	0	109.4
636	E	35.8	Very low	33.7	Very low	202 Å²	202	158.6 Å²	158.6	94%	0.944	88%	0.881	S	S	*	*			trans	-128.9	117	160.2	-75.4	-165.7	146.1	0	0	109.5
637	E	37.1	Very low	34.1	Very low	190 Å²	190	156.2 Å²	156.2	89%	0.888	88%	0.88	S	S	*	*			trans	-121.2	158.7	174.5	-166.4	169.3	-139.1	0	0	109.7
638	W	40.3	Very low	34.2	Very low	243 Å²	243	158.6 Å²	158.6	92%	0.92	89%	0.885	S	S	*	*			trans	-70.6	125.4	-161.6	-56.6	66.8	0	0	0	114.5
639	E	36.5	Very low	34.6	Very low	270 Å²	270	163.8 Å²	163.8	100%	1.262	89%	0.89	S	S	*	*				-176.2	0	99	-91.8	-165	153.1	0	0	112.9

Retrieved 639 of 639 residues in 338.6 ms (Link to these results)

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