A0A087XWY5_POEFO Loading...

5'-nucleotidase

AlphaFold DB , UniProt , Accession A0A087XWY5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 644 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	39.4	Very low	232 Å²	232	154.3 Å²	154.3	100%	1.143	83%	0.828	S	S	*	*				0	103.8	0	-78.9	176.1	167.6	0	0	108
2	L	34.8	Very low	38.6	Very low	150 Å²	150	151.9 Å²	151.9	79%	0.785	83%	0.83	S	S	*	*				66.8	128.4	125	-64.4	166.5	0	0	0	115.3
3	K	34.6	Very low	37.8	Very low	193 Å²	193	159.9 Å²	159.9	84%	0.839	84%	0.841	S	S	*	*			cis	-173	135.8	-16	-122.1	-179.8	-171	178.6	0	105
4	N	42.5	Very low	37.2	Very low	155 Å²	155	166 Å²	166	83%	0.829	85%	0.847	S	S	*	*			trans	-26.4	177.9	159	-88.8	-12.6	0	0	0	119.3
5	P	53.2	Low	36.6	Very low	117 Å²	117	167.3 Å²	167.3	76%	0.76	84%	0.844	S	S	*	*			cis	-143.2	179.3	6.1	23.8	3.3	0	0	0	117.1
6	G	33	Very low	36.3	Very low	61 Å²	61	165.1 Å²	165.1	63%	0.629	85%	0.845	S	S	*	*			trans	-72.4	-173.1	157.9	0	0	0	0	0	113.6
7	P	44.4	Very low	35.9	Very low	136 Å²	136	160.8 Å²	160.8	88%	0.883	83%	0.833	S	S	*	*				-152.9	168.5	67.2	37.9	-15.7	0	0	0	118.9
8	R	33.6	Very low	35.9	Very low	244 Å²	244	158.1 Å²	158.1	92%	0.921	83%	0.827	S	S	*	*			trans	-20.6	178	153.5	-95.3	-170.1	-150.2	-161.5	8.8	123
9	P	51.3	Low	35.5	Very low	110 Å²	110	158.7 Å²	158.7	71%	0.714	83%	0.829	S	S	*	*				-117.2	-168.6	-127.3	46.4	-35	0	0	0	117.7
10	E	33.8	Very low	34.9	Very low	183 Å²	183	156.7 Å²	156.7	86%	0.855	83%	0.828	S	S	*	*			trans	82.9	156	169.1	-75.8	-166.4	-176.4	0	0	118.1
11	P	37.6	Very low	34.6	Very low	116 Å²	116	155.9 Å²	155.9	75%	0.753	83%	0.829	S	S	*	*			cis	-146.9	177.4	28.4	40.4	-17.9	0	0	0	119.6
12	C	29.4	Very low	34.4	Very low	126 Å²	126	149 Å²	149	85%	0.851	80%	0.804	S	S	*	*			trans	-53.7	141.4	165.5	-75.6	0	0	0	0	115.7
13	R	28.6	Very low	34.2	Very low	256 Å²	256	154 Å²	154	97%	0.966	81%	0.812	S	S	*	*			trans	-149.4	154.6	150.8	-89.5	-165.6	-175.5	-169.1	1.6	113.9
14	R	28.7	Very low	34.3	Very low	245 Å²	245	150.4 Å²	150.4	93%	0.925	81%	0.806	S	S	*	*			trans	-84.9	151.6	-162.1	-66.5	166.6	169.4	177.5	-3.3	114.7
15	K	28.5	Very low	33.9	Very low	186 Å²	186	152.2 Å²	152.2	81%	0.809	81%	0.807	S	S	*	*			trans	18.1	145.3	143.6	-76.2	-171.1	178.9	-175.8	0	120.4
16	P	32.5	Very low	33	Very low	131 Å²	131	151.2 Å²	151.2	85%	0.851	81%	0.809	S	S	*	*				-141.3	144.5	90.9	33.9	-16.6	0	0	0	116
17	S	28.6	Very low	33.2	Very low	92 Å²	92	159.6 Å²	159.6	64%	0.643	82%	0.821	S	S	*	*			trans	-95	150.7	152.6	48.8	0	0	0	0	107.4
18	P	36.9	Very low	32.9	Very low	112 Å²	112	162.1 Å²	162.1	73%	0.727	82%	0.818	S	S	*	*				-150.4	162.6	72	37.2	-17.5	0	0	0	115.3
19	I	26.7	Very low	33	Very low	171 Å²	171	157 Å²	157	88%	0.877	81%	0.809	S	S	*	*			trans	-163.7	128.8	134.6	-91.7	145.2	0	0	0	108.3
20	C	24.6	Very low	32.5	Very low	117 Å²	117	157 Å²	157	79%	0.791	81%	0.806	S	S	*	*			trans	-70.8	138.5	175.9	-69.2	0	0	0	0	112.2
21	V	29	Very low	32.8	Very low	141 Å²	141	158.7 Å²	158.7	86%	0.855	81%	0.805	S	S	*	*			trans	-139.3	105.9	140.4	-176.8	0	0	0	0	110.2
22	S	29.6	Very low	32.8	Very low	88 Å²	88	158 Å²	158	62%	0.615	80%	0.798	S	S	*	*			trans	35.9	112.5	141	-161.6	0	0	0	0	121.4	T24	S22-T24 PolarHBondContact O-N 3.49Å; S22-T24 PolarHBondContact OG-OG1 2.72Å; S22-T24 VanDerWaalsContact OG-OG1 3.11Å
23	R	31.5	Very low	33.1	Very low	254 Å²	254	161.5 Å²	161.5	96%	0.958	79%	0.793	S	S	*	*			trans	-76.3	95.6	160.3	-74.5	173	164.8	178	-4.9	110.9
24	T	36.7	Very low	33.6	Very low	118 Å²	118	154.7 Å²	154.7	72%	0.724	78%	0.78	S	S	*	*			trans	-144.3	41.9	168.9	23.7	0	0	0	0	114.5	S22	S22-T24 PolarHBondContact O-N 3.49Å; S22-T24 PolarHBondContact OG-OG1 2.72Å; S22-T24 VanDerWaalsContact OG-OG1 3.11Å
25	F	33.3	Very low	34.1	Very low	193 Å²	193	153.5 Å²	153.5	85%	0.846	78%	0.776	S	S	*	*	S	Bend	trans	-136.8	-13	167.2	-128.2	-100.7	0	0	0	116	R27	F25-R27 PolarHBondContact O-N 2.93Å
26	A	35.8	Very low	34.4	Very low	95 Å²	95	152.6 Å²	152.6	79%	0.785	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	19.8	-179	0	0	0	0	0	115.2
27	R	35.8	Very low	34.5	Very low	237 Å²	237	154.6 Å²	154.6	89%	0.894	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.4	5.4	178.5	-85.4	-175.9	171.3	-179.5	-2.7	115.4	F25	F25-R27 PolarHBondContact O-N 2.93Å
28	K	38.4	Very low	34.8	Very low	190 Å²	190	161.1 Å²	161.1	83%	0.826	78%	0.783	S	S	*	*	S	Bend	trans	-106.1	-12.2	177.4	-95.4	-178.8	175.4	179.9	0	116
29	L	35.7	Very low	34.8	Very low	137 Å²	137	162.1 Å²	162.1	72%	0.717	79%	0.786	S	S	*	*	S	Bend	trans	-96.5	-14.3	-179.1	-95.7	137.2	0	0	0	115.4
30	V	41.4	Very low	35.3	Very low	108 Å²	108	158.3 Å²	158.3	66%	0.655	78%	0.78	S	S	*	*	H	α-helix	trans	-87.4	-9.7	178.8	-178.7	0	0	0	0	113
31	R	38.9	Very low	35.9	Very low	219 Å²	219	159.1 Å²	159.1	83%	0.826	78%	0.781	S	S	*	*	H	α-helix	trans	-92.1	-9.6	178.8	-87	-177.3	173	177.3	-2.1	115.3
32	V	38.3	Very low	36.1	Very low	102 Å²	102	163.4 Å²	163.4	62%	0.618	78%	0.782	S	S	*	*	H	α-helix	trans	-91.7	-30	175.9	179.5	0	0	0	0	111.3
33	W	35.1	Very low	36.3	Very low	199 Å²	199	169.2 Å²	169.2	75%	0.754	80%	0.797	S	S	*	*	H	α-helix	trans	-76.7	-22.2	-178	-98	57.9	0	0	0	115.5	R35	W33-R35 VanDerWaalsContact C-N 3.33Å; W33-R35 PolarHBondContact O-N 3.49Å
34	V	39.3	Very low	36.4	Very low	114 Å²	114	164.1 Å²	164.1	69%	0.691	79%	0.788	S	S	*	*	H	α-helix	trans	-84.4	-6.4	179.1	-179.5	0	0	0	0	112.8
35	R	39.5	Very low	36.2	Very low	220 Å²	220	164.3 Å²	164.3	83%	0.83	80%	0.795	S	S	*	*	H	α-helix	trans	-100.9	-15.8	-178.5	-127.2	174.4	179.2	176	-1.8	114.7	W33	W33-R35 VanDerWaalsContact C-N 3.33Å; W33-R35 PolarHBondContact O-N 3.49Å
36	M	34.9	Very low	36.1	Very low	167 Å²	167	161.7 Å²	161.7	82%	0.823	80%	0.799	S	S	*	*	H	α-helix	trans	-92.5	-14.5	177.3	-90.1	-171.9	140.2	0	0	114.8	R38	M36-R38 VanDerWaalsContact C-N 3.34Å; M36-R38 PolarHBondContact O-N 3.08Å
37	F	33.9	Very low	36	Very low	172 Å²	172	168 Å²	168	75%	0.754	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	8.5	178.8	-113.3	-88.8	0	0	0	115.2
38	R	35.4	Very low	35.8	Very low	230 Å²	230	168.4 Å²	168.4	87%	0.868	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	10	-178.5	-103.9	-177.4	179.6	178	0.7	115.8	M36	M36-R38 VanDerWaalsContact C-N 3.34Å; M36-R38 PolarHBondContact O-N 3.08Å
39	V	36.8	Very low	35.4	Very low	132 Å²	132	171.1 Å²	171.1	80%	0.8	81%	0.809	S	S	*	*	S	Bend	trans	-114.9	-9.9	178.9	-179	0	0	0	0	113.5
40	A	37.5	Very low	35.1	Very low	91 Å²	91	176.8 Å²	176.8	75%	0.752	82%	0.821	S	S	*	*	S	Bend	trans	-101.6	10.4	-177.1	0	0	0	0	0	115.9
41	V	36.6	Very low	34.6	Very low	134 Å²	134	183.5 Å²	183.5	81%	0.812	83%	0.834	S	S	*	*	S	Bend	trans	-133.7	66.9	174.3	-170.4	0	0	0	0	109.7
42	R	34	Very low	34.2	Very low	232 Å²	232	184.2 Å²	184.2	88%	0.875	84%	0.837	S	S	*	*	S	Bend	trans	-154.3	27.1	167.8	-123.9	179	-170.6	-167.7	1.8	114.8
43	F	34	Very low	33.7	Very low	210 Å²	210	188.1 Å²	188.1	92%	0.921	85%	0.846	S	S	*	*	S	Bend	trans	-139.5	49.5	171.3	-101.5	-82.7	0	0	0	111.4
44	D	33.7	Very low	33.4	Very low	146 Å²	146	187.7 Å²	187.7	78%	0.781	84%	0.844	S	S	*	*	S	Bend	trans	-152.2	40.4	161.3	-154	14	0	0	0	113.8
45	S	32.3	Very low	33	Very low	123 Å²	123	191.6 Å²	191.6	86%	0.86	85%	0.846	S	S	*	*	S	Bend	trans	-144.2	52	177.3	-61.7	0	0	0	0	111.8
46	C	31.1	Very low	32.5	Very low	137 Å²	137	185.8 Å²	185.8	93%	0.926	84%	0.839	S	S	*	*	S	Bend	trans	-141.6	40.1	158.2	-137.9	0	0	0	0	111.2
47	R	32.9	Very low	32.2	Very low	229 Å²	229	182.7 Å²	182.7	86%	0.864	83%	0.834	S	S	*	*	S	Bend	trans	-143.1	52.5	177.8	-141.8	-177.9	-158.9	-161.2	5.9	112.2
48	R	31.5	Very low	32	Very low	245 Å²	245	180.2 Å²	180.2	93%	0.925	84%	0.838	S	S	*	*	S	Bend	trans	-174	73.6	160.7	-105	161.9	-167.9	-166.3	5.7	111.4
49	R	29.9	Very low	31.6	Very low	247 Å²	247	173 Å²	173	93%	0.932	84%	0.835	S	S	*	*	S	Bend	trans	-175.7	82.9	148	-107.4	174.7	-177.4	-172.7	1.6	109.6
50	R	29.6	Very low	31.1	Very low	256 Å²	256	172.7 Å²	172.7	97%	0.966	84%	0.837	S	S	*	*			trans	-179.3	74.9	145.8	-99.9	168.6	-174.1	-169.4	2.6	108.6
51	R	31.3	Very low	30.8	Very low	249 Å²	249	178 Å²	178	94%	0.94	84%	0.844	S	S	*	*			trans	-94.9	105.7	152.3	-99.7	-174.6	173.6	179.7	-1.4	106.4
52	R	30.1	Very low	30.6	Very low	233 Å²	233	179.5 Å²	179.5	88%	0.879	84%	0.842	S	S	*	*			trans	-178.5	129.1	137.8	-108.9	175.3	173.1	176.5	-1.1	111.2
53	K	29	Very low	30.6	Very low	185 Å²	185	174.7 Å²	174.7	80%	0.804	84%	0.84	S	S	*	*			trans	73.3	139.9	160	-67.6	177.8	175.8	179.6	0	115.4
54	R	29.3	Very low	30.5	Very low	189 Å²	189	174.5 Å²	174.5	71%	0.713	83%	0.834	S	S	*	*			cis	-178.2	147	-13.1	-126.4	-177.7	174.1	176.7	-2	103.9
55	R	29.4	Very low	30.4	Very low	197 Å²	197	177.1 Å²	177.1	74%	0.743	84%	0.838	S	S	*	*			trans	75.1	128.6	142.6	-77.2	-179.5	169.4	179.3	-6.2	122.2
56	S	29.5	Very low	30.3	Very low	98 Å²	98	176.3 Å²	176.3	69%	0.685	83%	0.833	S	S	*	*				66.8	106.5	128.2	75.5	0	0	0	0	117.6
57	S	28.5	Very low	30.4	Very low	101 Å²	101	175.4 Å²	175.4	71%	0.706	83%	0.828	S	S	*	*				88.7	131.4	81.5	72.4	0	0	0	0	113.5
58	S	29	Very low	30.4	Very low	120 Å²	120	167.7 Å²	167.7	84%	0.839	82%	0.82	S	S	*	*			trans	58.7	123.9	149.3	60.5	0	0	0	0	119.5
59	G	28.1	Very low	30.8	Very low	79 Å²	79	162 Å²	162	81%	0.814	82%	0.818	S	S	*	*			trans	172.7	83.2	163.2	0	0	0	0	0	114.3
60	C	26.3	Very low	31.3	Very low	125 Å²	125	154.5 Å²	154.5	85%	0.845	81%	0.809	S	S	*	*			trans	-55.3	140.9	165	-166	0	0	0	0	111.5
61	K	31.5	Very low	31.8	Very low	204 Å²	204	149.9 Å²	149.9	89%	0.887	80%	0.802	S	S	*	*			trans	-174.1	120.4	145.8	-103.9	166.7	-170.8	-172.9	0	111.7
62	Q	31.1	Very low	32.3	Very low	164 Å²	164	149.8 Å²	149.8	77%	0.766	80%	0.802	S	S	*	*			trans	-72.7	162.7	158.8	-77.4	-174.3	-24	0	0	110.7
63	P	35.5	Very low	32.9	Very low	131 Å²	131	143.3 Å²	143.3	85%	0.851	79%	0.792	S	S	*	*				-132.5	157.3	119.1	30	-15.1	0	0	0	113.9
64	R	31.8	Very low	33.5	Very low	207 Å²	207	137.5 Å²	137.5	78%	0.781	78%	0.779	S	S	*	*			trans	-87.8	170.4	178.5	-82.4	-178.2	174.6	-179.1	-2.2	112.8
65	F	30.8	Very low	34.3	Very low	200 Å²	200	136.3 Å²	136.3	88%	0.877	78%	0.781	S	S	*	*			trans	87.9	134.4	169.4	-74.1	-86.3	0	0	0	114.9
66	S	29.3	Very low	35.1	Very low	107 Å²	107	133.6 Å²	133.6	75%	0.748	78%	0.779	S	S	*	*			cis	-155.7	165.9	19.1	55.8	0	0	0	0	111.8
67	S	34.2	Very low	35.9	Very low	118 Å²	118	135.8 Å²	135.8	83%	0.825	78%	0.778	S	S	*	*			trans	-58.8	152.2	176.8	50.6	0	0	0	0	116.1
68	G	33.3	Very low	36.8	Very low	67 Å²	67	137.2 Å²	137.2	69%	0.691	77%	0.773	S	S	*	*			trans	145.1	108.4	146.1	0	0	0	0	0	116.2
69	S	40.4	Very low	38	Very low	125 Å²	125	135.1 Å²	135.1	87%	0.874	76%	0.756	S	S	*	*			trans	57.1	87.5	148.6	61.6	0	0	0	0	119.6
70	A	38.9	Very low	39.3	Very low	90 Å²	90	136 Å²	136	74%	0.744	74%	0.741	S	S	*	*			trans	-163.7	42.2	149.2	0	0	0	0	0	112.8
71	L	40.8	Very low	40.6	Very low	159 Å²	159	136.8 Å²	136.8	83%	0.832	73%	0.73	S	S	*	*			trans	-106.7	90.3	170.7	-87.1	106.8	0	0	0	109.2
72	R	41.7	Very low	41.6	Very low	246 Å²	246	132.4 Å²	132.4	93%	0.928	72%	0.716	S	S	*	*	S	Bend	trans	-172.9	-0.5	154.5	-103	160.5	-158.1	-111.1	6.1	115.5
73	S	42.7	Very low	42.7	Very low	97 Å²	97	129.6 Å²	129.6	68%	0.678	71%	0.706	S	S	*	*	S	Bend	trans	-112.8	-12.7	176.7	-164.8	0	0	0	0	115.4
74	A	41.8	Very low	43.7	Very low	64 Å²	64	127.6 Å²	127.6	53%	0.529	69%	0.687	S	S	.	*	H	α-helix	trans	-90.4	-10	-176.3	0	0	0	0	0	114.4
75	Q	44.7	Very low	44.7	Very low	163 Å²	163	122.5 Å²	122.5	76%	0.762	67%	0.674	S	S	*	*	H	α-helix	trans	-84.2	-17.7	-177.8	-97.1	178.3	-26.4	0	0	114	T79	Q75-T79 PolarHBondContact O-OG1 3.01Å
76	M	46.3	Very low	45.6	Very low	141 Å²	141	119.3 Å²	119.3	70%	0.695	67%	0.666	S	S	*	*	H	α-helix	trans	-94.1	-28.4	-176.7	-145.9	174	75.3	0	0	113	T79 I80	M76-T79 PolarHBondContact O-OG1 2.94Å; M76-I80 WeakPolarHBondContact O-CG1 3.45Å; M76-I80 PolarHBondContact O-N 3.33Å
77	E	46.3	Very low	46.5	Very low	144 Å²	144	121 Å²	121	67%	0.673	67%	0.665	S	S	*	*	H	α-helix	trans	-77.6	-31.7	175	-68.6	-167.6	163.9	0	0	112.5	F81	E77-F81 WeakPolarHBondContact O-CB 3.42Å; E77-F81 PolarHBondContact O-N 3.36Å; E77-F81 VanDerWaalsContact O-N 3.08Å
78	H	48.7	Very low	47.3	Very low	130 Å²	130	121.9 Å²	121.9	60%	0.602	66%	0.66	S	S	*	*	H	α-helix	trans	-73.4	-29.2	176.6	-73.5	3.9	0	0	0	112.9	L82	H78-L82 WeakPolarHBondContact O-CB 3.41Å; H78-L82 VanDerWaalsContact O-CD1 3.32Å; H78-L82 WeakPolarHBondContact O-CD1 3.35Å; H78-L82 PolarHBondContact O-N 2.89Å
79	T	52.8	Low	48	Very low	77 Å²	77	120.7 Å²	120.7	47%	0.472	65%	0.647	S	S	.	*	H	α-helix	trans	-73.2	-36.2	175.2	5	0	0	0	0	112.1	Q75 M76 L83	Q75-T79 PolarHBondContact O-OG1 3.01Å; M76-T79 PolarHBondContact O-OG1 2.94Å; T79-L83 WeakPolarHBondContact O-CB 3.42Å; T79-L83 WeakPolarHBondContact O-CD1 3.47Å; T79-L83 PolarHBondContact O-N 3.46Å
80	I	55.9	Low	48.4	Very low	97 Å²	97	120.5 Å²	120.5	50%	0.497	64%	0.641	S	S	.	*	H	α-helix	trans	-72.6	-37.8	176.5	-64.4	171.3	0	0	0	110.7	M76 L83 I84	M76-I80 WeakPolarHBondContact O-CG1 3.45Å; M76-I80 PolarHBondContact O-N 3.33Å; I80-L83 PolarHBondContact O-N 2.95Å; I80-I84 HydrophobicContact CG2-CD1 3.94Å; I80-I84 VanDerWaalsContact O-CG1 3.29Å; I80-I84 WeakPolarHBondContact O-CG1 3.29Å; I80-I84 PolarHBondContact O-N 2.9Å
81	F	53.8	Low	48.6	Very low	141 Å²	141	121 Å²	121	62%	0.618	65%	0.645	S	S	*	*	H	α-helix	trans	-69.4	-36.5	175.8	-150.3	-99.3	0	0	0	112.4	E77 I85	E77-F81 WeakPolarHBondContact O-CB 3.42Å; E77-F81 PolarHBondContact O-N 3.36Å; E77-F81 VanDerWaalsContact O-N 3.08Å; F81-I85 HydrophobicContact CD1-CD1 3.67Å; F81-I85 HydrophobicContact CD1-CG1 4.5Å; F81-I85 HydrophobicContact CE1-CD1 3.76Å; F81-I85 VanDerWaalsContact O-CG1 3.29Å; F81-I85 WeakPolarHBondContact O-CG1 3.42Å; F81-I85 PolarHBondContact O-N 2.83Å
82	L	53.3	Low	48.8	Very low	112 Å²	112	118.8 Å²	118.8	59%	0.586	64%	0.638	S	S	*	*	H	α-helix	trans	-69.9	-34.8	171.3	-98.3	123.4	0	0	0	112.8	H78 I85 L86	H78-L82 WeakPolarHBondContact O-CB 3.41Å; H78-L82 VanDerWaalsContact O-CD1 3.32Å; H78-L82 WeakPolarHBondContact O-CD1 3.35Å; H78-L82 PolarHBondContact O-N 2.89Å; L82-I85 PolarHBondContact O-N 3.05Å; L82-L86 WeakPolarHBondContact O-CB 3.32Å; L82-L86 PolarHBondContact O-N 3.1Å
83	L	53.6	Low	48.9	Very low	106 Å²	106	112.3 Å²	112.3	56%	0.555	63%	0.628	S	S	*	*	H	α-helix	trans	-68.8	-36.4	173.4	-109.7	101.9	0	0	0	112.4	T79 I80 L86 L87	T79-L83 WeakPolarHBondContact O-CB 3.42Å; T79-L83 WeakPolarHBondContact O-CD1 3.47Å; T79-L83 PolarHBondContact O-N 3.46Å; I80-L83 PolarHBondContact O-N 2.95Å; L83-L86 PolarHBondContact O-N 3.39Å; L83-L87 WeakPolarHBondContact O-CB 3.46Å; L83-L87 WeakPolarHBondContact O-CD1 3.44Å; L83-L87 PolarHBondContact O-N 3.48Å
84	I	55.8	Low	49.3	Very low	89 Å²	89	112.9 Å²	112.9	46%	0.456	63%	0.632	S	S	.	*	H	α-helix	trans	-69	-37.5	175.3	-69.8	167.8	0	0	0	110.6	I80 L87 L88	I80-I84 HydrophobicContact CG2-CD1 3.94Å; I80-I84 VanDerWaalsContact O-CG1 3.29Å; I80-I84 WeakPolarHBondContact O-CG1 3.29Å; I80-I84 PolarHBondContact O-N 2.9Å; I84-L87 PolarHBondContact O-N 2.95Å; I84-L88 HydrophobicContact CG2-CD1 3.98Å; I84-L88 WeakPolarHBondContact O-CB 3.37Å; I84-L88 WeakPolarHBondContact O-CD1 3.33Å; I84-L88 PolarHBondContact O-N 2.84Å
85	I	54.1	Low	50	Low	99 Å²	99	111 Å²	111	51%	0.508	62%	0.618	S	S	.	*	H	α-helix	trans	-70.1	-31	173	-68.2	170.2	0	0	0	111.8	F81 L82 G89	F81-I85 HydrophobicContact CD1-CD1 3.67Å; F81-I85 HydrophobicContact CD1-CG1 4.5Å; F81-I85 HydrophobicContact CE1-CD1 3.76Å; F81-I85 VanDerWaalsContact O-CG1 3.29Å; F81-I85 WeakPolarHBondContact O-CG1 3.42Å; F81-I85 PolarHBondContact O-N 2.83Å; L82-I85 PolarHBondContact O-N 3.05Å; I85-G89 PolarHBondContact O-N 3.28Å
86	L	48.8	Very low	51.3	Low	134 Å²	134	107.3 Å²	107.3	70%	0.702	62%	0.616	S	S	*	*	H	α-helix	trans	-75	-31.3	172	-120.4	82.4	0	0	0	113.1	L82 L83 L88 G89	L82-L86 WeakPolarHBondContact O-CB 3.32Å; L82-L86 PolarHBondContact O-N 3.1Å; L83-L86 PolarHBondContact O-N 3.39Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-G89 WeakPolarHBondContact O-CA 3.29Å; L86-G89 PolarHBondContact O-N 2.86Å; L86-G89 VanDerWaalsContact O-N 3.1Å
87	L	47.5	Very low	53.4	Low	142 Å²	142	105.6 Å²	105.6	74%	0.743	61%	0.61	S	S	*	*	H	α-helix	trans	-78.6	-16.9	173.3	-84.5	153.9	0	0	0	112.9	L83 I84	L83-L87 WeakPolarHBondContact O-CB 3.46Å; L83-L87 WeakPolarHBondContact O-CD1 3.44Å; L83-L87 PolarHBondContact O-N 3.48Å; I84-L87 PolarHBondContact O-N 2.95Å
88	L	51.9	Low	55.8	Low	137 Å²	137	100.1 Å²	100.1	72%	0.717	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	5.4	163.1	-81.4	150.8	0	0	0	112.2	I84 L86 T90	I84-L88 HydrophobicContact CG2-CD1 3.98Å; I84-L88 WeakPolarHBondContact O-CB 3.37Å; I84-L88 WeakPolarHBondContact O-CD1 3.33Å; I84-L88 PolarHBondContact O-N 2.84Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L88-T90 PolarHBondContact O-N 3.1Å
89	G	47.3	Very low	58.2	Low	41 Å²	41	95.7 Å²	95.7	42%	0.423	57%	0.565	S	S	.	*	S	Bend	trans	-70.1	109.1	174	0	0	0	0	0	112	I85 L86	I85-G89 PolarHBondContact O-N 3.28Å; L86-G89 WeakPolarHBondContact O-CA 3.29Å; L86-G89 PolarHBondContact O-N 2.86Å; L86-G89 VanDerWaalsContact O-N 3.1Å
90	T	50.2	Low	60.3	Low	122 Å²	122	92 Å²	92	75%	0.748	54%	0.542	S	S	*	.			trans	57.3	77.2	163.1	67.4	0	0	0	0	115.2	L88 V92	L88-T90 PolarHBondContact O-N 3.1Å; T90-V92 PolarHBondContact O-N 3.43Å
91	A	42.3	Very low	62.4	Low	99 Å²	99	87.4 Å²	87.4	82%	0.818	52%	0.519	S	S	*	.				-58	95.1	129.4	0	0	0	0	0	105.3	P93	A91-P93 WeakPolarHBondContact O-CD 3.42Å; A91-P93 VanDerWaalsContact O-N 3.07Å
92	V	45.3	Very low	64.5	Low	114 Å²	114	80.7 Å²	80.7	69%	0.691	49%	0.489	S	S	*	.			trans	-48.7	119.7	160	-177.2	0	0	0	0	103.1	T90 S94	T90-V92 PolarHBondContact O-N 3.43Å; V92-S94 PolarHBondContact O-N 3.49Å
93	P	44.4	Very low	66.7	Low	110 Å²	110	75.4 Å²	75.4	71%	0.714	46%	0.461	S	S	*	.			trans	-52	116.2	170.6	-13	24.4	0	0	0	103.8	A91 G95	A91-P93 WeakPolarHBondContact O-CD 3.42Å; A91-P93 VanDerWaalsContact O-N 3.07Å; P93-G95 VanDerWaalsContact C-N 3.27Å; P93-G95 PolarHBondContact O-N 3.11Å
94	S	50.2	Low	68.9	Low	109 Å²	109	70.3 Å²	70.3	76%	0.762	44%	0.435	S	S	*	.			trans	-58.2	112.4	164.9	67	0	0	0	0	102.9	V92 A96	V92-S94 PolarHBondContact O-N 3.49Å; S94-A96 PolarHBondContact O-N 3.45Å; S94-A96 VanDerWaalsContact O-N 3.1Å
95	G	56.2	Low	70.9	Confident	23 Å²	23	66.2 Å²	66.2	24%	0.237	41%	0.414	C	S	.	.			trans	-38.8	123.3	175.3	0	0	0	0	0	108.7	P93 D97 D367	P93-G95 VanDerWaalsContact C-N 3.27Å; P93-G95 PolarHBondContact O-N 3.11Å; G95-D97 PolarHBondContact O-N 3.38Å; G95-D367 VanDerWaalsContact CA-OD1 3.24Å; G95-D367 WeakPolarHBondContact CA-OD1 2.96Å; G95-D367 WeakPolarHBondContact CA-OD2 3.24Å
96	A	72.9	Confident	73	Confident	86 Å²	86	61.6 Å²	61.6	71%	0.711	39%	0.39	S	S	*	.			trans	-68.9	107.6	-177.2	0	0	0	0	0	106.9	S94 W98	S94-A96 PolarHBondContact O-N 3.45Å; S94-A96 VanDerWaalsContact O-N 3.1Å; A96-W98 PolarHBondContact O-N 2.9Å; A96-W98 VanDerWaalsContact O-N 3.08Å
97	D	89.8	Confident	75.3	Confident	106 Å²	106	55.3 Å²	55.3	57%	0.567	36%	0.357	S	S	*	.			trans	-37.5	116.6	172.3	-79.8	-0.9	0	0	0	110.5	G95 T364	G95-D97 PolarHBondContact O-N 3.38Å; D97-T364 HydrophobicContact CB-CG2 3.62Å
98	W	97	Very high	77.6	Confident	29 Å²	29	48.6 Å²	48.6	11%	0.11	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.1	-177.6	-178.4	85.1	0	0	0	109.7	A96 L100 N148 V237 Q240 V242 K285 T364 F365	A96-W98 PolarHBondContact O-N 2.9Å; A96-W98 VanDerWaalsContact O-N 3.08Å; W98-L100 HydrophobicContact CE3-CB 4.37Å; W98-L100 HydrophobicContact CH2-CB 3.71Å; W98-L100 HydrophobicContact CH2-CD1 3.86Å; W98-L100 HydrophobicContact CH2-CD2 4.01Å; W98-L100 HydrophobicContact CH2-CG 4.07Å; W98-L100 HydrophobicContact CZ2-CD1 4.46Å; W98-L100 HydrophobicContact CZ3-CB 3.62Å; W98-L100 HydrophobicContact CZ3-CD2 4.12Å; W98-L100 HydrophobicContact CZ3-CG 4.33Å; W98-N148 HydrophobicContact CZ2-CB 3.97Å; W98-N148 PolarHBondContact NE1-ND2 3.5Å; W98-N148 VanDerWaalsContact NE1-ND2 3.12Å; W98-V237 HydrophobicContact CH2-CB 4.35Å; W98-V237 HydrophobicContact CZ2-CB 4.06Å; W98-V237 HydrophobicContact CZ2-CG1 4.11Å; W98-V237 VanDerWaalsContact CZ2-O 3.22Å; W98-V237 WeakPolarHBondContact CZ2-O 3.45Å; W98-Q240 HydrophobicContact CD2-CB 4.18Å; W98-Q240 HydrophobicContact CD2-CG 3.72Å; W98-Q240 HydrophobicContact CE3-CB 4.5Å; W98-Q240 HydrophobicContact CE3-CG 4.37Å; W98-Q240 HydrophobicContact CG-CG 3.78Å; W98-Q240 HydrophobicContact CH2-CB 4.22Å; W98-Q240 HydrophobicContact CZ2-CB 3.9Å; W98-Q240 HydrophobicContact CZ2-CG 4.21Å; W98-Q240 HydrophobicContact CZ3-CB 4.5Å; W98-V242 HydrophobicContact CH2-CG2 3.67Å; W98-V242 HydrophobicContact CZ3-CG2 4.07Å; W98-K285 HydrophobicContact CE3-CD 3.75Å; W98-K285 HydrophobicContact CZ3-CD 3.61Å; W98-T364 WeakPolarHBondContact O-CA 3.49Å; W98-F365 AromaticContact CE3-CD2 3.82Å; W98-F365 HydrophobicContact CE3-CD2 3.82Å; W98-F365 AromaticContact CZ3-CD2 3.95Å; W98-F365 HydrophobicContact CZ3-CD2 3.95Å; W98-F365 HydrophobicContact CZ3-CE2 4.2Å; W98-F365 PolarHBondContact N-O 2.67Å; W98-F365 PolarHBondContact O-N 3.05Å
99	T	98.2	Very high	79.6	Confident	37 Å²	37	42.3 Å²	42.3	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.4	-175.9	-60.6	0	0	0	0	111.4	N148 K362 V363 T364	T99-N148 VanDerWaalsContact O-CB 3.3Å; T99-N148 WeakPolarHBondContact O-CB 3.39Å; T99-N148 PolarHBondContact O-ND2 2.96Å; T99-K362 HydrophobicContact CG2-CD 3.96Å; T99-K362 HydrophobicContact CG2-CG 3.37Å; T99-V363 CarbonylContact C-O 3.57Å; T99-V363 WeakPolarHBondContact CA-O 3.5Å; T99-T364 PolarHBondContact OG1-OG1 3.32Å
100	L	98.8	Very high	81.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.8	174.8	-178.5	58.2	0	0	0	110	W98 L102 N148 L150 V237 V242 I287 V363 F365	W98-L100 HydrophobicContact CE3-CB 4.37Å; W98-L100 HydrophobicContact CH2-CB 3.71Å; W98-L100 HydrophobicContact CH2-CD1 3.86Å; W98-L100 HydrophobicContact CH2-CD2 4.01Å; W98-L100 HydrophobicContact CH2-CG 4.07Å; W98-L100 HydrophobicContact CZ2-CD1 4.46Å; W98-L100 HydrophobicContact CZ3-CB 3.62Å; W98-L100 HydrophobicContact CZ3-CD2 4.12Å; W98-L100 HydrophobicContact CZ3-CG 4.33Å; L100-L102 HydrophobicContact CD1-CD2 4.48Å; L100-L102 HydrophobicContact CD2-CD2 3.61Å; L100-L102 HydrophobicContact CD2-CG 4.22Å; L100-L102 HydrophobicContact CG-CD2 3.79Å; L100-L102 HydrophobicContact CG-CG 4.15Å; L100-N148 HydrophobicContact CD1-CB 4.23Å; L100-L150 HydrophobicContact CD1-CD1 4.46Å; L100-L150 HydrophobicContact CD1-CG 4.26Å; L100-L150 HydrophobicContact CD2-CD1 4.38Å; L100-V237 HydrophobicContact CD1-CG1 4.09Å; L100-V242 HydrophobicContact CD2-CG1 4.14Å; L100-V242 HydrophobicContact CD2-CG2 4.06Å; L100-I287 HydrophobicContact CD2-CD1 4.12Å; L100-V363 PolarHBondContact N-O 2.71Å; L100-V363 PolarHBondContact O-N 3.27Å; L100-F365 HydrophobicContact CB-CE2 4.12Å; L100-F365 HydrophobicContact CD2-CE2 4.43Å
101	V	98.9	Very high	84	Confident	0 Å²	0	35 Å²	35	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.5	168.6	175.5	0	0	0	0	109	L103 I142 E146 N148 V149 L150 F360 L361 K362	V101-L103 HydrophobicContact CG1-CD2 4.03Å; V101-L103 HydrophobicContact CG1-CG 4.27Å; V101-I142 HydrophobicContact CG1-CG2 4.1Å; V101-E146 HydrophobicContact CG2-CB 3.99Å; V101-E146 HydrophobicContact CG2-CG 3.84Å; V101-N148 PolarHBondContact N-O 2.94Å; V101-V149 HydrophobicContact CB-CG2 4.22Å; V101-V149 HydrophobicContact CG1-CG1 4.4Å; V101-V149 WeakPolarHBondContact O-CA 3.4Å; V101-L150 PolarHBondContact O-N 2.97Å; V101-F360 HydrophobicContact CG1-CD2 3.86Å; V101-F360 HydrophobicContact CG1-CE2 3.55Å; V101-F360 HydrophobicContact CG1-CZ 4.32Å; V101-F360 HydrophobicContact CG2-CE2 4.46Å; V101-L361 WeakPolarHBondContact CA-O 3.33Å; V101-K362 HydrophobicContact CG2-CB 4.48Å; V101-K362 HydrophobicContact CG2-CD 4.29Å; V101-K362 HydrophobicContact CG2-CG 4.07Å
102	L	98.9	Very high	86.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	100.8	176.3	-60.1	173.6	0	0	0	107.7	L100 L150 L152 I287 V309 I311 L361 V363	L100-L102 HydrophobicContact CD1-CD2 4.48Å; L100-L102 HydrophobicContact CD2-CD2 3.61Å; L100-L102 HydrophobicContact CD2-CG 4.22Å; L100-L102 HydrophobicContact CG-CD2 3.79Å; L100-L102 HydrophobicContact CG-CG 4.15Å; L102-L150 HydrophobicContact CD2-CB 4.12Å; L102-L150 HydrophobicContact CD2-CD1 4.33Å; L102-L152 HydrophobicContact CD2-CD1 4.14Å; L102-I287 HydrophobicContact CD1-CD1 3.93Å; L102-I287 HydrophobicContact CD1-CG1 4.37Å; L102-I287 HydrophobicContact CD2-CD1 3.47Å; L102-I287 VanDerWaalsContact CD2-CD1 3.47Å; L102-I287 HydrophobicContact CG-CD1 4.35Å; L102-V309 HydrophobicContact CD1-CB 4.36Å; L102-V309 HydrophobicContact CD1-CG1 3.91Å; L102-V309 HydrophobicContact CD1-CG2 4.18Å; L102-I311 HydrophobicContact CB-CD1 4.13Å; L102-I311 HydrophobicContact CD1-CD1 4.21Å; L102-L361 HydrophobicContact CB-CB 4.34Å; L102-L361 HydrophobicContact CD1-CD2 4.43Å; L102-L361 PolarHBondContact N-O 2.77Å; L102-L361 PolarHBondContact O-N 3.28Å; L102-V363 HydrophobicContact CD1-CG2 4.04Å
103	L	98.9	Very high	89	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.8	166.1	-60.9	-176.3	0	0	0	108.3	V101 I139 I142 V149 L150 L151 L152 L358 G359 F360	V101-L103 HydrophobicContact CG1-CD2 4.03Å; V101-L103 HydrophobicContact CG1-CG 4.27Å; L103-I139 HydrophobicContact CD1-CG1 4.26Å; L103-I139 HydrophobicContact CD1-CG2 4.4Å; L103-I142 HydrophobicContact CD1-CB 4.27Å; L103-I142 HydrophobicContact CD1-CD1 4.35Å; L103-I142 HydrophobicContact CD1-CG2 4.15Å; L103-I142 HydrophobicContact CD2-CD1 3.71Å; L103-I142 HydrophobicContact CD2-CG2 4.14Å; L103-I142 HydrophobicContact CG-CG2 4.47Å; L103-V149 HydrophobicContact CD1-CG1 3.76Å; L103-V149 HydrophobicContact CG-CG1 3.85Å; L103-L150 PolarHBondContact N-O 3.37Å; L103-L151 HydrophobicContact CB-CB 4.41Å; L103-L151 HydrophobicContact CB-CD1 3.66Å; L103-L151 WeakPolarHBondContact O-CA 3.44Å; L103-L152 PolarHBondContact O-N 2.74Å; L103-L358 HydrophobicContact CB-CD1 4.4Å; L103-L358 HydrophobicContact CD2-CD2 4.3Å; L103-L358 HydrophobicContact CD2-CG 4.48Å; L103-G359 VanDerWaalsContact CA-O 3.27Å; L103-G359 WeakPolarHBondContact CA-O 3.39Å; L103-F360 HydrophobicContact CD2-CB 4.37Å; L103-F360 HydrophobicContact CD2-CD2 3.68Å
104	H	98.9	Very high	91.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.2	179.5	64.6	92.1	0	0	0	114.6	L152 I311 Y334 V349 G359	H104-L152 WeakPolarHBondContact CA-O 3.44Å; H104-I311 HydrophobicContact CB-CD1 4.37Å; H104-I311 HydrophobicContact CB-CG2 3.64Å; H104-Y334 AromaticContact NE2-CE2 3.82Å; H104-Y334 AromaticContact NE2-CZ 3.72Å; H104-Y334 PolarHBondContact NE2-OH 3.07Å; H104-V349 WeakPolarHBondContact NE2-CG2 3.46Å; H104-G359 PolarHBondContact N-O 2.83Å; H104-G359 WeakPolarHBondContact NE2-CA 3.44Å; H104-G359 WeakPolarHBondContact O-CA 3.43Å; H104-G359 PolarHBondContact O-N 3.28Å
105	T	98.9	Very high	93.4	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157.8	167.4	47.4	0	0	0	0	110.2	L152 D153 A154 Y181 L358	T105-L152 PolarHBondContact N-O 2.85Å; T105-D153 WeakPolarHBondContact CB-OD2 3.42Å; T105-D153 CarbonylContact O-C 2.81Å; T105-D153 WeakPolarHBondContact O-CA 3.23Å; T105-D153 PolarHBondContact OG1-OD2 2.81Å; T105-A154 PolarHBondContact O-N 3.03Å; T105-Y181 WeakPolarHBondContact OG1-CE1 3.29Å; T105-Y181 PolarHBondContact OG1-OH 3.06Å; T105-L358 HydrophobicContact CG2-CD1 4.07Å
106	N	98.6	Very high	95	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.016	11%	0.107	C	C	.	.			trans	-152.4	151.1	174.8	65.9	-84.8	0	0	0	108.4	V108 A154 G312 A351 Y352	N106-V108 PolarHBondContact O-N 3.37Å; N106-V108 VanDerWaalsContact O-N 3.14Å; N106-A154 HydrophobicContact CB-CB 3.86Å; N106-G312 WeakPolarHBondContact CB-O 3.13Å; N106-A351 WeakPolarHBondContact OD1-CA 3.14Å; N106-A351 PolarHBondContact OD1-N 3.16Å; N106-Y352 PolarHBondContact ND2-O 3.13Å
107	D	95.6	Very high	95.8	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.082	C	C	.	.			trans	53.2	40.2	171.6	-54.6	-103.8	0	0	0	112.8	H109 G155 D156 H291 G313 H314 N316 A353 F354	D107-H109 PolarHBondContact O-CD2 2.9Å; D107-H109 PolarHBondContact O-N 3.41Å; D107-G155 PolarHBondContact N-O 2.93Å; D107-D156 CarbonylContact C-O 3.55Å; D107-H291 IonicContact OD1-CE1 3.85Å; D107-H291 PolarHBondContact OD1-CE1 3.22Å; D107-H291 IonicContact OD2-CE1 3.06Å; D107-G313 VanDerWaalsContact OD2-CA 3.31Å; D107-G313 WeakPolarHBondContact OD2-CA 3.38Å; D107-H314 WeakPolarHBondContact OD1-CA 3.43Å; D107-H314 PolarHBondContact OD1-N 2.94Å; D107-H314 VanDerWaalsContact OD1-N 3.14Å; D107-H314 PolarHBondContact OD2-N 3.14Å; D107-N316 WeakPolarHBondContact CB-OD1 3.45Å; D107-N316 VanDerWaalsContact CG-OD1 3.26Å; D107-N316 PolarHBondContact OD1-OD1 2.92Å; D107-A353 HydrophobicContact CB-CB 4.07Å; D107-F354 PolarHBondContact O-N 3.32Å
108	V	97.4	Very high	95.4	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.012	8%	0.077	C	C	.	.			trans	-65.7	-30	-178.8	174.3	0	0	0	0	111	N106 A110 R111 D156	N106-V108 PolarHBondContact O-N 3.37Å; N106-V108 VanDerWaalsContact O-N 3.14Å; V108-A110 PolarHBondContact O-N 3.01Å; V108-R111 WeakPolarHBondContact O-CD 3.34Å; V108-R111 PolarHBondContact O-N 2.97Å; V108-D156 PolarHBondContact N-O 2.92Å; V108-D156 VanDerWaalsContact N-O 3.09Å
109	H	93.9	Very high	94.9	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.019	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	52.6	172.6	-72.8	-50.9	0	0	0	113.9	D107 R111 D156 Q157 F158 Q159 H189 F354	D107-H109 PolarHBondContact O-CD2 2.9Å; D107-H109 PolarHBondContact O-N 3.41Å; H109-R111 VanDerWaalsContact CB-NH1 3.34Å; H109-R111 WeakPolarHBondContact O-CD 3.38Å; H109-R111 PolarHBondContact O-N 2.99Å; H109-R111 PolarHBondContact O-NH1 3.08Å; H109-D156 IonicContact CE1-OD2 3.58Å; H109-D156 PolarHBondContact CE1-OD2 2.83Å; H109-D156 PolarHBondContact N-O 2.81Å; H109-D156 IonicContact NE2-OD2 3.69Å; H109-Q157 CarbonylContact C-O 3.57Å; H109-F158 PolarHBondContact ND1-O 3.22Å; H109-Q159 CarbonylContact C-O 3.59Å; H109-Q159 WeakPolarHBondContact CA-O 3.25Å; H109-Q159 VanDerWaalsContact CB-O 3.24Å; H109-Q159 WeakPolarHBondContact CB-O 3.41Å; H109-H189 AromaticContact CE1-CD2 3.5Å; H109-F354 HydrophobicContact CB-CD1 4.23Å; H109-F354 HydrophobicContact CB-CE1 4.42Å; H109-F354 AromaticContact CD2-CE1 3.76Å
110	A	94.6	Very high	94.2	Very high	4 Å²	4	12.7 Å²	12.7	3%	0.033	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	22.3	175.8	0	0	0	0	0	115.6	V108 V112 Q157 Q159 M161 W163 F164	V108-A110 PolarHBondContact O-N 3.01Å; A110-V112 PolarHBondContact O-N 3.39Å; A110-Q157 PolarHBondContact N-O 2.85Å; A110-Q159 PolarHBondContact N-O 2.98Å; A110-M161 HydrophobicContact CB-CB 4.2Å; A110-W163 HydrophobicContact CB-CB 4.15Å; A110-F164 HydrophobicContact CB-CB 3.91Å
111	R	93.7	Very high	93.6	Very high	7 Å²	7	15 Å²	15	3%	0.026	7%	0.073	C	C	.	.			trans	-75	69.8	167.6	-77.6	76	178	141.1	2.6	109.8	V108 H109 T115 G160 M161 F354	V108-R111 WeakPolarHBondContact O-CD 3.34Å; V108-R111 PolarHBondContact O-N 2.97Å; H109-R111 VanDerWaalsContact CB-NH1 3.34Å; H109-R111 WeakPolarHBondContact O-CD 3.38Å; H109-R111 PolarHBondContact O-N 2.99Å; H109-R111 PolarHBondContact O-NH1 3.08Å; R111-T115 HydrophobicContact CB-CG2 4.16Å; R111-T115 HydrophobicContact CG-CG2 3.67Å; R111-G160 VanDerWaalsContact NH1-CA 3.34Å; R111-G160 PolarHBondContact NH1-O 2.87Å; R111-M161 HydrophobicContact CG-CE 4.33Å; R111-M161 HydrophobicContact CG-CG 4.17Å; R111-M161 VanDerWaalsContact CZ-SD 3.53Å; R111-F354 VanDerWaalsContact CB-O 3.31Å; R111-F354 WeakPolarHBondContact CB-O 3.33Å; R111-F354 HydrophobicContact CG-CB 4.03Å; R111-F354 VanDerWaalsContact NE-CD1 3.27Å
112	V	96.9	Very high	93	Very high	9 Å²	9	15.8 Å²	15.8	6%	0.055	8%	0.078	C	C	.	.			trans	-68.7	-49	176.8	177.1	0	0	0	0	109.7	A110 G131 V132 W163 E171 F175 V395	A110-V112 PolarHBondContact O-N 3.39Å; V112-G131 CarbonylContact O-C 3.5Å; V112-G131 VanDerWaalsContact O-CA 3.29Å; V112-G131 WeakPolarHBondContact O-CA 3.35Å; V112-V132 HydrophobicContact CG1-CG2 3.9Å; V112-V132 WeakPolarHBondContact O-CG2 3.43Å; V112-V132 PolarHBondContact O-N 2.81Å; V112-W163 HydrophobicContact CB-CD2 3.76Å; V112-W163 HydrophobicContact CB-CE3 4.01Å; V112-W163 HydrophobicContact CB-CG 4.16Å; V112-W163 HydrophobicContact CB-CZ2 4.3Å; V112-W163 HydrophobicContact CB-CZ3 4.38Å; V112-W163 HydrophobicContact CG1-CD2 4.2Å; V112-W163 HydrophobicContact CG1-CE3 4.04Å; V112-W163 HydrophobicContact CG1-CH2 3.96Å; V112-W163 HydrophobicContact CG1-CZ2 4.13Å; V112-W163 HydrophobicContact CG1-CZ3 3.91Å; V112-W163 HydrophobicContact CG2-CB 4.26Å; V112-W163 HydrophobicContact CG2-CD2 3.83Å; V112-W163 HydrophobicContact CG2-CE3 3.87Å; V112-W163 HydrophobicContact CG2-CG 4.01Å; V112-E171 HydrophobicContact CG2-CB 4.43Å; V112-E171 HydrophobicContact CG2-CG 3.93Å; V112-F175 HydrophobicContact CG1-CD2 3.71Å; V112-F175 HydrophobicContact CG1-CE2 3.46Å; V112-F175 VanDerWaalsContact CG1-CE2 3.46Å; V112-F175 HydrophobicContact CG1-CZ 4.09Å; V112-F175 HydrophobicContact CG2-CD2 4.37Å; V112-V395 HydrophobicContact CG1-CG1 4.16Å; V112-V395 HydrophobicContact CG1-CG2 3.84Å
113	E	95.3	Very high	92	Very high	38 Å²	38	16 Å²	16	18%	0.178	8%	0.081	C	C	.	.	S	Bend	trans	-74.1	164.3	174.2	-64.5	177.6	-108	0	0	112	G131 W163 V395 K399	E113-G131 VanDerWaalsContact O-CA 3.27Å; E113-G131 WeakPolarHBondContact O-CA 3.45Å; E113-W163 HydrophobicContact CG-CZ2 3.67Å; E113-W163 PolarHBondContact OE1-NE1 2.84Å; E113-V395 HydrophobicContact CG-CG1 3.83Å; E113-K399 WeakPolarHBondContact OE2-CD 3.31Å; E113-K399 WeakPolarHBondContact OE2-CE 3.15Å; E113-K399 IonicContact OE2-NZ 2.83Å; E113-K399 PolarHBondContact OE2-NZ 3.5Å
114	E	95.1	Very high	90.6	Very high	55 Å²	55	27.8 Å²	27.8	26%	0.257	13%	0.125	S	C	.	.			trans	-67.3	153.4	164.9	65.1	-179.5	-175.4	0	0	111.6	C128 Y129 R134 Q387	E114-C128 HydrophobicContact CB-CB 3.92Å; E114-C128 HydrophobicContact CG-CB 3.6Å; E114-C128 PolarHBondContact OE1-SG 2.91Å; E114-C128 VanDerWaalsContact OE2-CB 3.27Å; E114-C128 WeakPolarHBondContact OE2-CB 3.35Å; E114-Y129 CarbonylContact C-O 3.46Å; E114-Y129 WeakPolarHBondContact CA-O 3.19Å; E114-R134 IonicContact OE2-CZ 2.68Å; E114-R134 VanDerWaalsContact OE2-CZ 3.24Å; E114-R134 IonicContact OE2-NH1 3.13Å; E114-R134 PolarHBondContact OE2-NH1 3.14Å; E114-R134 IonicContact OE2-NH2 3.98Å; E114-R134 PolarHBondContact OE2-NH2 3.47Å; E114-Q387 PolarHBondContact OE2-NE2 2.89Å
115	T	92.4	Very high	88.9	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-126.7	163.4	-173	57.4	0	0	0	0	110.9	R111 I120 C128 Y129 M161	R111-T115 HydrophobicContact CB-CG2 4.16Å; R111-T115 HydrophobicContact CG-CG2 3.67Å; T115-I120 CarbonylContact C-O 3.42Å; T115-I120 VanDerWaalsContact CA-O 3.23Å; T115-I120 WeakPolarHBondContact CA-O 3.39Å; T115-I120 WeakPolarHBondContact CB-O 3.41Å; T115-C128 CarbonylContact O-C 3.55Å; T115-C128 VanDerWaalsContact O-CA 3.24Å; T115-C128 WeakPolarHBondContact O-CA 3.47Å; T115-Y129 PolarHBondContact N-O 2.76Å; T115-Y129 PolarHBondContact O-N 2.82Å; T115-Y129 PolarHBondContact OG1-O 3.15Å; T115-M161 HydrophobicContact CG2-CE 4.36Å
116	S	89.7	Confident	87.7	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.014	18%	0.179	C	C	.	.			trans	-66.7	177.1	171	81.7	0	0	0	0	110.9	H118 S119 I120 E126	S116-H118 PolarHBondContact O-N 2.69Å; S116-H118 PolarHBondContact OG-N 3.12Å; S116-S119 PolarHBondContact O-N 2.75Å; S116-I120 PolarHBondContact N-O 3.35Å; S116-I120 WeakPolarHBondContact OG-CG1 3.46Å; S116-E126 WeakPolarHBondContact CB-OE2 3.44Å
117	V	89.3	Confident	87.2	Confident	32 Å²	32	43.2 Å²	43.2	19%	0.194	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.7	176.8	72.2	0	0	0	0	113.2	Y129 L327 K356	V117-Y129 HydrophobicContact CB-CD2 4.15Å; V117-Y129 HydrophobicContact CB-CE2 3.54Å; V117-Y129 HydrophobicContact CG2-CE2 3.87Å; V117-L327 HydrophobicContact CB-CD1 4.37Å; V117-L327 HydrophobicContact CG1-CD1 3.85Å; V117-L327 HydrophobicContact CG2-CD1 3.61Å; V117-L327 HydrophobicContact CG2-CG 3.83Å; V117-K356 PolarHBondContact O-NZ 3.08Å
118	H	82.6	Confident	87.1	Confident	98 Å²	98	43.9 Å²	43.9	45%	0.454	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	11.4	178.6	-62.4	-61.6	0	0	0	113.5	S116 I120 L327	S116-H118 PolarHBondContact O-N 2.69Å; S116-H118 PolarHBondContact OG-N 3.12Å; H118-I120 HydrophobicContact CB-CG1 4.4Å; H118-I120 PolarHBondContact O-N 2.94Å; H118-L327 WeakPolarHBondContact CE1-CD1 3.28Å
119	S	85.4	Confident	87.1	Confident	1 Å²	1	45 Å²	45	1%	0.007	22%	0.217	C	C	.	.	S	Bend	trans	61.4	27.2	178.9	-58.3	0	0	0	0	114.7	S116 F354	S116-S119 PolarHBondContact O-N 2.75Å; S119-F354 WeakPolarHBondContact OG-CD2 3.13Å
120	I	84.4	Confident	87.3	Confident	7 Å²	7	44.9 Å²	44.9	4%	0.036	22%	0.216	C	C	.	.	S	Bend	trans	-105.8	-178.1	170.1	64.5	171.4	0	0	0	109.8	T115 S116 H118 C122 F416 S467 S468 D470	T115-I120 CarbonylContact C-O 3.42Å; T115-I120 VanDerWaalsContact CA-O 3.23Å; T115-I120 WeakPolarHBondContact CA-O 3.39Å; T115-I120 WeakPolarHBondContact CB-O 3.41Å; S116-I120 PolarHBondContact N-O 3.35Å; S116-I120 WeakPolarHBondContact OG-CG1 3.46Å; H118-I120 HydrophobicContact CB-CG1 4.4Å; H118-I120 PolarHBondContact O-N 2.94Å; I120-C122 PolarHBondContact O-N 3.21Å; I120-F416 HydrophobicContact CD1-CE2 4.41Å; I120-S467 WeakPolarHBondContact CG2-OG 3.35Å; I120-S468 WeakPolarHBondContact CG2-O 3.35Å; I120-D470 HydrophobicContact CD1-CB 3.63Å
121	K	85.8	Confident	87.4	Confident	48 Å²	48	44.8 Å²	44.8	21%	0.209	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-53	128.4	179	-171.4	163	-176.5	166.1	0	111.5	Y474 E481	K121-Y474 HydrophobicContact CD-CE2 3.89Å; K121-Y474 WeakPolarHBondContact CE-OH 3.3Å; K121-Y474 HydrophobicContact CG-CE2 4.34Å; K121-E481 IonicContact NZ-OE1 2.76Å; K121-E481 PolarHBondContact NZ-OE1 3.18Å; K121-E481 IonicContact NZ-OE2 2.82Å; K121-E481 PolarHBondContact NZ-OE2 3.21Å
122	C	86.4	Confident	87.6	Confident	17 Å²	17	44.8 Å²	44.8	12%	0.115	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-78.9	132	-179	-159.6	0	0	0	0	111.9	I120 C128	I120-C122 PolarHBondContact O-N 3.21Å; C122-C128 HydrophobicContact CB-CB 3.94Å; C122-C128 WeakPolarHBondContact CB-SG 3.44Å; C122-C128 WeakPolarHBondContact SG-CA 3.43Å; C122-C128 WeakPolarHBondContact SG-CB 3.21Å; C122-C128 CovalentContact SG-SG 2.03Å; C122-C128 PolarHBondContact SG-SG 3.14Å
123	G	77.6	Confident	87.7	Confident	5 Å²	5	44.4 Å²	44.4	5%	0.052	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-77.4	156.3	173.4	0	0	0	0	0	113.4	S125 E126	G123-S125 PolarHBondContact O-N 2.51Å; G123-S125 VanDerWaalsContact O-N 3.1Å; G123-E126 PolarHBondContact N-OE2 3.07Å; G123-E126 VanDerWaalsContact N-OE2 3.09Å; G123-E126 PolarHBondContact O-N 2.95Å
124	R	69	Low	87.9	Confident	247 Å²	247	43.1 Å²	43.1	93%	0.932	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.2	-178.1	-76.7	-176.1	170.1	179.4	-2.2	115.1
125	S	64	Low	88.1	Confident	123 Å²	123	40.7 Å²	40.7	86%	0.86	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114	10.4	-177.2	55.5	0	0	0	0	113.2	G123	G123-S125 PolarHBondContact O-N 2.51Å; G123-S125 VanDerWaalsContact O-N 3.1Å
126	E	73.9	Confident	88.4	Confident	59 Å²	59	41 Å²	41	28%	0.276	20%	0.2	S	C	.	.	S	Bend	trans	-100.1	156.7	-175.2	-65.5	-177.8	167.9	0	0	111.7	S116 G123 C128	S116-E126 WeakPolarHBondContact CB-OE2 3.44Å; G123-E126 PolarHBondContact N-OE2 3.07Å; G123-E126 VanDerWaalsContact N-OE2 3.09Å; G123-E126 PolarHBondContact O-N 2.95Å; E126-C128 PolarHBondContact O-N 2.94Å
127	K	88.5	Confident	88.8	Confident	148 Å²	148	42.7 Å²	42.7	64%	0.643	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-72.5	118.9	164.1	-67.4	-173.9	-179.8	-175.6	0	107.7	Y129	K127-Y129 HydrophobicContact CB-CE2 4.07Å; K127-Y129 WeakPolarHBondContact O-CD2 3.37Å; K127-Y129 WeakPolarHBondContact O-CE2 3.49Å
128	C	94.1	Very high	89.3	Confident	14 Å²	14	41.7 Å²	41.7	10%	0.095	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-95.8	154.6	176.7	-51.5	0	0	0	0	111.7	E114 T115 C122 E126 S383	E114-C128 HydrophobicContact CB-CB 3.92Å; E114-C128 HydrophobicContact CG-CB 3.6Å; E114-C128 PolarHBondContact OE1-SG 2.91Å; E114-C128 VanDerWaalsContact OE2-CB 3.27Å; E114-C128 WeakPolarHBondContact OE2-CB 3.35Å; T115-C128 CarbonylContact O-C 3.55Å; T115-C128 VanDerWaalsContact O-CA 3.24Å; T115-C128 WeakPolarHBondContact O-CA 3.47Å; C122-C128 HydrophobicContact CB-CB 3.94Å; C122-C128 WeakPolarHBondContact CB-SG 3.44Å; C122-C128 WeakPolarHBondContact SG-CA 3.43Å; C122-C128 WeakPolarHBondContact SG-CB 3.21Å; C122-C128 CovalentContact SG-SG 2.03Å; C122-C128 PolarHBondContact SG-SG 3.14Å; E126-C128 PolarHBondContact O-N 2.94Å; C128-S383 PolarHBondContact O-N 2.78Å
129	Y	96.4	Very high	90	Very high	27 Å²	27	37.2 Å²	37.2	11%	0.106	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-136.3	155.4	-174.3	-55.6	-96.8	0	0	0	111.1	E114 T115 V117 K127 L380 L381 D382	E114-Y129 CarbonylContact C-O 3.46Å; E114-Y129 WeakPolarHBondContact CA-O 3.19Å; T115-Y129 PolarHBondContact N-O 2.76Å; T115-Y129 PolarHBondContact O-N 2.82Å; T115-Y129 PolarHBondContact OG1-O 3.15Å; V117-Y129 HydrophobicContact CB-CD2 4.15Å; V117-Y129 HydrophobicContact CB-CE2 3.54Å; V117-Y129 HydrophobicContact CG2-CE2 3.87Å; K127-Y129 HydrophobicContact CB-CE2 4.07Å; K127-Y129 WeakPolarHBondContact O-CD2 3.37Å; K127-Y129 WeakPolarHBondContact O-CE2 3.49Å; Y129-L380 HydrophobicContact CD1-CD1 3.86Å; Y129-L380 HydrophobicContact CD1-CD2 4.43Å; Y129-L380 HydrophobicContact CD1-CG 4.25Å; Y129-L380 HydrophobicContact CE1-CD1 4.3Å; Y129-L380 HydrophobicContact CE1-CD2 4.15Å; Y129-L380 HydrophobicContact CE1-CG 4.46Å; Y129-L381 CarbonylContact C-O 3.6Å; Y129-L381 WeakPolarHBondContact CA-O 3.08Å; Y129-D382 HydrophobicContact CD1-CB 3.56Å; Y129-D382 HydrophobicContact CE1-CB 3.54Å
130	G	97.6	Very high	90.7	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.			trans	65.5	-145.2	175.4	0	0	0	0	0	113.4	R134 G355 L381	G130-R134 VanDerWaalsContact O-CB 3.28Å; G130-R134 WeakPolarHBondContact O-CB 3.3Å; G130-R134 PolarHBondContact O-NH1 3.37Å; G130-G355 WeakPolarHBondContact CA-O 3.23Å; G130-L381 PolarHBondContact N-O 3.47Å
131	G	97.6	Very high	91.4	Very high	2 Å²	2	47.2 Å²	47.2	2%	0.021	22%	0.219	C	C	.	.			trans	78.9	147	-172.9	0	0	0	0	0	113.4	V112 E113 A133 R134 R135	V112-G131 CarbonylContact O-C 3.5Å; V112-G131 VanDerWaalsContact O-CA 3.29Å; V112-G131 WeakPolarHBondContact O-CA 3.35Å; E113-G131 VanDerWaalsContact O-CA 3.27Å; E113-G131 WeakPolarHBondContact O-CA 3.45Å; G131-A133 VanDerWaalsContact C-N 3.28Å; G131-A133 PolarHBondContact O-N 2.97Å; G131-R134 PolarHBondContact O-N 3.49Å; G131-R135 PolarHBondContact O-N 2.78Å; G131-R135 VanDerWaalsContact O-N 3.07Å
132	V	98.6	Very high	92	Very high	7 Å²	7	45 Å²	45	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-32.7	-173.6	-62.9	0	0	0	0	112.4	V112 R135 A136 F175 L179 V391 V395	V112-V132 HydrophobicContact CG1-CG2 3.9Å; V112-V132 WeakPolarHBondContact O-CG2 3.43Å; V112-V132 PolarHBondContact O-N 2.81Å; V132-R135 PolarHBondContact O-N 2.82Å; V132-A136 WeakPolarHBondContact O-CB 3.41Å; V132-A136 PolarHBondContact O-N 2.79Å; V132-F175 HydrophobicContact CB-CB 4.28Å; V132-F175 HydrophobicContact CB-CD1 4.49Å; V132-F175 HydrophobicContact CB-CG 4.4Å; V132-F175 HydrophobicContact CG1-CB 4.06Å; V132-F175 HydrophobicContact CG1-CG 4.41Å; V132-F175 HydrophobicContact CG2-CB 4.27Å; V132-F175 HydrophobicContact CG2-CD1 3.7Å; V132-F175 HydrophobicContact CG2-CD2 4.33Å; V132-F175 HydrophobicContact CG2-CE1 4.11Å; V132-F175 HydrophobicContact CG2-CG 3.84Å; V132-L179 HydrophobicContact CB-CD1 4.36Å; V132-V391 HydrophobicContact CG2-CG1 3.88Å; V132-V395 HydrophobicContact CG2-CG2 3.58Å
133	A	98.7	Very high	92.6	Very high	2 Å²	2	48 Å²	48	2%	0.017	22%	0.219	C	C	.	.	H	α-helix	trans	-66	-40.2	178.5	0	0	0	0	0	112.6	G131 T137 Q387 D388 V391 L392	G131-A133 VanDerWaalsContact C-N 3.28Å; G131-A133 PolarHBondContact O-N 2.97Å; A133-T137 PolarHBondContact O-N 2.85Å; A133-T137 PolarHBondContact O-OG1 3.12Å; A133-Q387 HydrophobicContact CB-CB 3.91Å; A133-Q387 HydrophobicContact CB-CG 4.15Å; A133-D388 WeakPolarHBondContact O-CB 3.19Å; A133-D388 PolarHBondContact O-N 3.48Å; A133-V391 HydrophobicContact CB-CB 4.2Å; A133-V391 HydrophobicContact CB-CG1 4.05Å; A133-L392 HydrophobicContact CB-CB 3.94Å; A133-L392 HydrophobicContact CB-CD1 4.48Å
134	R	98.6	Very high	93.5	Very high	11 Å²	11	54 Å²	54	4%	0.042	25%	0.25	C	C	.	.	H	α-helix	trans	-72.4	-41.2	176.3	-173.5	171.5	-74.4	108	-2.2	111.5	E114 G130 G131 A136 T137 E138 L381 D382 I385 Q387	E114-R134 IonicContact OE2-CZ 2.68Å; E114-R134 VanDerWaalsContact OE2-CZ 3.24Å; E114-R134 IonicContact OE2-NH1 3.13Å; E114-R134 PolarHBondContact OE2-NH1 3.14Å; E114-R134 IonicContact OE2-NH2 3.98Å; E114-R134 PolarHBondContact OE2-NH2 3.47Å; G130-R134 VanDerWaalsContact O-CB 3.28Å; G130-R134 WeakPolarHBondContact O-CB 3.3Å; G130-R134 PolarHBondContact O-NH1 3.37Å; G131-R134 PolarHBondContact O-N 3.49Å; R134-A136 VanDerWaalsContact C-N 3.27Å; R134-A136 PolarHBondContact O-N 2.83Å; R134-T137 WeakPolarHBondContact O-CB 3.44Å; R134-T137 PolarHBondContact O-N 3.13Å; R134-E138 PolarHBondContact O-N 2.83Å; R134-L381 VanDerWaalsContact CD-C 3.47Å; R134-L381 WeakPolarHBondContact CD-O 3.23Å; R134-L381 HydrophobicContact CG-CB 4.19Å; R134-D382 WeakPolarHBondContact CD-O 3.48Å; R134-D382 PolarHBondContact NE-O 3.44Å; R134-I385 HydrophobicContact CG-CB 3.84Å; R134-I385 HydrophobicContact CG-CG2 3.73Å; R134-I385 PolarHBondContact NE-O 2.85Å; R134-Q387 HydrophobicContact CB-CG 4.12Å
135	R	98.8	Very high	94.9	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.011	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-41	175.1	-160.6	-173.1	-54.4	156.5	10.9	111.2	G131 V132 T137 E138 I139 L179 Y181 G355 L358 L381	G131-R135 PolarHBondContact O-N 2.78Å; G131-R135 VanDerWaalsContact O-N 3.07Å; V132-R135 PolarHBondContact O-N 2.82Å; R135-T137 VanDerWaalsContact C-N 3.34Å; R135-T137 PolarHBondContact O-N 2.72Å; R135-E138 PolarHBondContact O-N 2.92Å; R135-I139 HydrophobicContact CG-CD1 3.71Å; R135-I139 HydrophobicContact CG-CG1 4.35Å; R135-I139 WeakPolarHBondContact O-CB 3.45Å; R135-I139 WeakPolarHBondContact O-CD1 3.28Å; R135-I139 VanDerWaalsContact O-CG1 3.27Å; R135-I139 WeakPolarHBondContact O-CG1 3.44Å; R135-I139 PolarHBondContact O-N 3.05Å; R135-L179 HydrophobicContact CB-CD2 4.13Å; R135-L179 HydrophobicContact CG-CD2 4.17Å; R135-Y181 PolarHBondContact NH1-OH 3.11Å; R135-Y181 VanDerWaalsContact NH1-OH 3.13Å; R135-G355 VanDerWaalsContact NH2-CA 3.34Å; R135-L358 HydrophobicContact CG-CD1 4.3Å; R135-L381 HydrophobicContact CB-CD1 3.92Å; R135-L381 HydrophobicContact CG-CD1 3.95Å
136	A	98.9	Very high	96.6	Very high	8 Å²	8	43.9 Å²	43.9	7%	0.066	20%	0.199	C	C	.	.	H	α-helix	trans	-58.6	-42.5	176.3	0	0	0	0	0	112.9	V132 R134 R140 L179 D388 V391	V132-A136 WeakPolarHBondContact O-CB 3.41Å; V132-A136 PolarHBondContact O-N 2.79Å; R134-A136 VanDerWaalsContact C-N 3.27Å; R134-A136 PolarHBondContact O-N 2.83Å; A136-R140 VanDerWaalsContact O-CB 3.31Å; A136-R140 WeakPolarHBondContact O-CB 3.33Å; A136-R140 PolarHBondContact O-N 2.77Å; A136-L179 HydrophobicContact CB-CD1 3.92Å; A136-L179 HydrophobicContact CB-CG 4.11Å; A136-D388 HydrophobicContact CB-CB 4.03Å; A136-V391 HydrophobicContact CB-CB 4.5Å; A136-V391 HydrophobicContact CB-CG2 3.94Å
137	T	98.9	Very high	97.6	Very high	37 Å²	37	46.3 Å²	46.3	23%	0.227	22%	0.221	C	C	.	.	H	α-helix	trans	-58.9	-50	175.4	-60.9	0	0	0	0	111.3	A133 R134 R135 R140 R141 I385 Q386 D388	A133-T137 PolarHBondContact O-N 2.85Å; A133-T137 PolarHBondContact O-OG1 3.12Å; R134-T137 WeakPolarHBondContact O-CB 3.44Å; R134-T137 PolarHBondContact O-N 3.13Å; R135-T137 VanDerWaalsContact C-N 3.34Å; R135-T137 PolarHBondContact O-N 2.72Å; T137-R140 PolarHBondContact O-N 2.86Å; T137-R141 PolarHBondContact O-N 2.87Å; T137-I385 HydrophobicContact CG2-CG2 3.98Å; T137-Q386 WeakPolarHBondContact CB-O 3.23Å; T137-Q386 WeakPolarHBondContact CG2-O 3.5Å; T137-Q386 PolarHBondContact OG1-O 3Å; T137-D388 PolarHBondContact OG1-N 3.4Å
138	E	98.8	Very high	98.1	Very high	11 Å²	11	40.1 Å²	40.1	5%	0.051	19%	0.194	C	C	.	.	H	α-helix	trans	-70.7	-40.7	-174.7	-171.2	58.9	-169.5	0	0	112.3	R134 R135 R140 R141 I142 L358 I379 L381 I385	R134-E138 PolarHBondContact O-N 2.83Å; R135-E138 PolarHBondContact O-N 2.92Å; E138-R140 VanDerWaalsContact C-N 3.31Å; E138-R140 PolarHBondContact O-N 2.74Å; E138-R141 WeakPolarHBondContact O-CB 3.49Å; E138-R141 PolarHBondContact O-N 2.66Å; E138-R141 IonicContact OE1-CZ 3.96Å; E138-R141 VanDerWaalsContact OE1-CZ 3.32Å; E138-R141 IonicContact OE1-NE 3.87Å; E138-R141 PolarHBondContact OE1-NE 3.26Å; E138-R141 VanDerWaalsContact OE1-NE 3.13Å; E138-R141 IonicContact OE1-NH2 3.05Å; E138-R141 PolarHBondContact OE1-NH2 2.89Å; E138-R141 IonicContact OE2-CZ 3.36Å; E138-R141 IonicContact OE2-NE 3.58Å; E138-R141 PolarHBondContact OE2-NE 3.02Å; E138-R141 IonicContact OE2-NH2 3.14Å; E138-I142 HydrophobicContact CG-CD1 4.04Å; E138-I142 WeakPolarHBondContact O-CG1 3.46Å; E138-I142 PolarHBondContact O-N 3.19Å; E138-L358 HydrophobicContact CB-CD2 4.27Å; E138-L358 HydrophobicContact CG-CD2 3.95Å; E138-I379 HydrophobicContact CG-CD1 4.33Å; E138-I379 HydrophobicContact CG-CG2 4.29Å; E138-L381 HydrophobicContact CB-CD2 3.99Å; E138-L381 HydrophobicContact CG-CD2 4.16Å; E138-I385 HydrophobicContact CB-CD1 4.3Å; E138-I385 HydrophobicContact CB-CG2 4.34Å; E138-I385 HydrophobicContact CG-CD1 4.17Å
139	I	98.9	Very high	98.3	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-56.9	-46.8	172.1	-71.2	161.8	0	0	0	110.3	L103 R135 I142 R143 L151 L179 L358	L103-I139 HydrophobicContact CD1-CG1 4.26Å; L103-I139 HydrophobicContact CD1-CG2 4.4Å; R135-I139 HydrophobicContact CG-CD1 3.71Å; R135-I139 HydrophobicContact CG-CG1 4.35Å; R135-I139 WeakPolarHBondContact O-CB 3.45Å; R135-I139 WeakPolarHBondContact O-CD1 3.28Å; R135-I139 VanDerWaalsContact O-CG1 3.27Å; R135-I139 WeakPolarHBondContact O-CG1 3.44Å; R135-I139 PolarHBondContact O-N 3.05Å; I139-I142 PolarHBondContact O-N 2.99Å; I139-R143 HydrophobicContact CG2-CG 4.47Å; I139-R143 WeakPolarHBondContact O-CB 3.37Å; I139-R143 WeakPolarHBondContact O-CG 3.39Å; I139-R143 PolarHBondContact O-N 3.06Å; I139-L151 HydrophobicContact CD1-CD1 4.08Å; I139-L151 HydrophobicContact CD1-CD2 3.58Å; I139-L151 HydrophobicContact CG1-CD1 4.31Å; I139-L151 HydrophobicContact CG1-CD2 4.23Å; I139-L151 HydrophobicContact CG2-CD2 4.12Å; I139-L179 HydrophobicContact CD1-CB 4.23Å; I139-L179 HydrophobicContact CD1-CD2 3.77Å; I139-L179 HydrophobicContact CD1-CG 4.08Å; I139-L358 HydrophobicContact CG1-CD1 4.35Å; I139-L358 HydrophobicContact CG1-CD2 3.88Å
140	R	98.8	Very high	98.4	Very high	123 Å²	123	39.3 Å²	39.3	46%	0.464	19%	0.192	S	C	.	.	H	α-helix	trans	-64	-42.2	179.8	-173.1	-174	-60	148.4	6.1	111.5	A136 T137 E138 I142 R143 N144 D388	A136-R140 VanDerWaalsContact O-CB 3.31Å; A136-R140 WeakPolarHBondContact O-CB 3.33Å; A136-R140 PolarHBondContact O-N 2.77Å; T137-R140 PolarHBondContact O-N 2.86Å; E138-R140 VanDerWaalsContact C-N 3.31Å; E138-R140 PolarHBondContact O-N 2.74Å; R140-I142 VanDerWaalsContact C-N 3.35Å; R140-I142 PolarHBondContact O-N 3.27Å; R140-R143 PolarHBondContact O-N 3.11Å; R140-N144 PolarHBondContact O-N 2.83Å; R140-N144 VanDerWaalsContact O-N 3.11Å; R140-N144 PolarHBondContact O-ND2 2.92Å; R140-D388 IonicContact CZ-OD2 2.75Å; R140-D388 IonicContact NH1-OD2 2.66Å; R140-D388 PolarHBondContact NH1-OD2 2.88Å; R140-D388 IonicContact NH2-OD1 3.9Å; R140-D388 IonicContact NH2-OD2 3.53Å; R140-D388 PolarHBondContact NH2-OD2 2.91Å
141	R	98.8	Very high	98.5	Very high	95 Å²	95	39.3 Å²	39.3	36%	0.358	19%	0.192	S	C	.	.	H	α-helix	trans	-56.4	-50.9	176.5	-171.1	-171.1	71.1	72.7	3.6	110.4	T137 E138 N144 E145	T137-R141 PolarHBondContact O-N 2.87Å; E138-R141 WeakPolarHBondContact O-CB 3.49Å; E138-R141 PolarHBondContact O-N 2.66Å; E138-R141 IonicContact OE1-CZ 3.96Å; E138-R141 VanDerWaalsContact OE1-CZ 3.32Å; E138-R141 IonicContact OE1-NE 3.87Å; E138-R141 PolarHBondContact OE1-NE 3.26Å; E138-R141 VanDerWaalsContact OE1-NE 3.13Å; E138-R141 IonicContact OE1-NH2 3.05Å; E138-R141 PolarHBondContact OE1-NH2 2.89Å; E138-R141 IonicContact OE2-CZ 3.36Å; E138-R141 IonicContact OE2-NE 3.58Å; E138-R141 PolarHBondContact OE2-NE 3.02Å; E138-R141 IonicContact OE2-NH2 3.14Å; R141-N144 WeakPolarHBondContact O-CB 3.3Å; R141-N144 PolarHBondContact O-N 3.13Å; R141-E145 WeakPolarHBondContact CG-OE1 3.19Å; R141-E145 IonicContact CZ-OE1 3.11Å; R141-E145 IonicContact CZ-OE2 2.87Å; R141-E145 IonicContact NH1-OE1 3.35Å; R141-E145 PolarHBondContact NH1-OE1 2.98Å; R141-E145 IonicContact NH1-OE2 3.77Å; R141-E145 PolarHBondContact NH1-OE2 2.97Å; R141-E145 WeakPolarHBondContact O-CG 3.32Å; R141-E145 PolarHBondContact O-N 3.24Å
142	I	98.8	Very high	98.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-66.4	-43.4	-177.6	-63.9	165.1	0	0	0	111.5	V101 L103 E138 I139 R140 N144 E145 E146 L358 F360 I379	V101-I142 HydrophobicContact CG1-CG2 4.1Å; L103-I142 HydrophobicContact CD1-CB 4.27Å; L103-I142 HydrophobicContact CD1-CD1 4.35Å; L103-I142 HydrophobicContact CD1-CG2 4.15Å; L103-I142 HydrophobicContact CD2-CD1 3.71Å; L103-I142 HydrophobicContact CD2-CG2 4.14Å; L103-I142 HydrophobicContact CG-CG2 4.47Å; E138-I142 HydrophobicContact CG-CD1 4.04Å; E138-I142 WeakPolarHBondContact O-CG1 3.46Å; E138-I142 PolarHBondContact O-N 3.19Å; I139-I142 PolarHBondContact O-N 2.99Å; R140-I142 VanDerWaalsContact C-N 3.35Å; R140-I142 PolarHBondContact O-N 3.27Å; I142-N144 PolarHBondContact O-N 3.02Å; I142-E145 PolarHBondContact O-N 3.31Å; I142-E146 HydrophobicContact CG2-CB 4.41Å; I142-E146 HydrophobicContact CG2-CG 4.04Å; I142-E146 WeakPolarHBondContact O-CB 3.45Å; I142-E146 PolarHBondContact O-N 3.21Å; I142-L358 HydrophobicContact CD1-CD2 4.24Å; I142-F360 HydrophobicContact CD1-CD2 3.99Å; I142-F360 HydrophobicContact CD1-CE2 4.38Å; I142-F360 HydrophobicContact CG2-CD2 4.45Å; I142-F360 HydrophobicContact CG2-CE2 4.04Å; I142-I379 HydrophobicContact CD1-CD1 3.69Å
143	R	98.6	Very high	98.6	Very high	80 Å²	80	38.9 Å²	38.9	30%	0.302	19%	0.189	S	C	.	.	H	α-helix	trans	-61	-24.7	175.5	-77.9	179.9	165.2	157.1	-4	113.9	I139 R140 V149 L179 G180 D182	I139-R143 HydrophobicContact CG2-CG 4.47Å; I139-R143 WeakPolarHBondContact O-CB 3.37Å; I139-R143 WeakPolarHBondContact O-CG 3.39Å; I139-R143 PolarHBondContact O-N 3.06Å; R140-R143 PolarHBondContact O-N 3.11Å; R143-V149 HydrophobicContact CG-CB 4.25Å; R143-V149 HydrophobicContact CG-CG1 4.14Å; R143-V149 HydrophobicContact CG-CG2 4.43Å; R143-L179 PolarHBondContact NH1-O 3.36Å; R143-G180 PolarHBondContact NH1-O 3.3Å; R143-G180 PolarHBondContact NH2-O 3.47Å; R143-D182 IonicContact NH2-OD2 3.71Å; R143-D182 PolarHBondContact NH2-OD2 3.41Å
144	N	98.4	Very high	98.6	Very high	132 Å²	132	38.8 Å²	38.8	71%	0.706	19%	0.188	S	C	*	.	H	α-helix	trans	-83.3	-21.2	175	-70.3	-23.1	0	0	0	113.1	R140 R141 I142	R140-N144 PolarHBondContact O-N 2.83Å; R140-N144 VanDerWaalsContact O-N 3.11Å; R140-N144 PolarHBondContact O-ND2 2.92Å; R141-N144 WeakPolarHBondContact O-CB 3.3Å; R141-N144 PolarHBondContact O-N 3.13Å; I142-N144 PolarHBondContact O-N 3.02Å
145	E	98.3	Very high	98.5	Very high	118 Å²	118	38.3 Å²	38.3	55%	0.551	19%	0.186	S	C	*	.	H	α-helix	trans	-98.3	-29	-177.3	-71.2	173.7	-165.4	0	0	112.7	R141 I142	R141-E145 WeakPolarHBondContact CG-OE1 3.19Å; R141-E145 IonicContact CZ-OE1 3.11Å; R141-E145 IonicContact CZ-OE2 2.87Å; R141-E145 IonicContact NH1-OE1 3.35Å; R141-E145 PolarHBondContact NH1-OE1 2.98Å; R141-E145 IonicContact NH1-OE2 3.77Å; R141-E145 PolarHBondContact NH1-OE2 2.97Å; R141-E145 WeakPolarHBondContact O-CG 3.32Å; R141-E145 PolarHBondContact O-N 3.24Å; I142-E145 PolarHBondContact O-N 3.31Å
146	E	98	Very high	98.4	Very high	39 Å²	39	38.3 Å²	38.3	18%	0.182	19%	0.186	C	C	.	.			trans	-115.1	130	-171.6	-62	-73.7	-176.2	0	0	110.7	V101 I142 N148 V149 K362	V101-E146 HydrophobicContact CG2-CB 3.99Å; V101-E146 HydrophobicContact CG2-CG 3.84Å; I142-E146 HydrophobicContact CG2-CB 4.41Å; I142-E146 HydrophobicContact CG2-CG 4.04Å; I142-E146 WeakPolarHBondContact O-CB 3.45Å; I142-E146 PolarHBondContact O-N 3.21Å; E146-N148 PolarHBondContact O-N 3.5Å; E146-V149 HydrophobicContact CB-CG2 3.64Å; E146-K362 IonicContact OE1-NZ 2.75Å; E146-K362 PolarHBondContact OE1-NZ 3.4Å; E146-K362 WeakPolarHBondContact OE2-CE 3.31Å; E146-K362 IonicContact OE2-NZ 3.95Å; E146-K362 PolarHBondContact OE2-NZ 2.88Å
147	P	96.1	Very high	98.3	Very high	111 Å²	111	38.4 Å²	38.4	72%	0.721	19%	0.186	S	C	*	.	S	Bend	trans	-75.5	-26.3	-172.6	28.9	-35.3	0	0	0	113.7
148	N	98.5	Very high	98	Very high	18 Å²	18	36.7 Å²	36.7	10%	0.096	18%	0.175	C	C	.	.	S	Bend	trans	-128.3	100	-172.3	-55.8	-39.7	0	0	0	108.3	W98 T99 L100 V101 E146 V237 G238	W98-N148 HydrophobicContact CZ2-CB 3.97Å; W98-N148 PolarHBondContact NE1-ND2 3.5Å; W98-N148 VanDerWaalsContact NE1-ND2 3.12Å; T99-N148 VanDerWaalsContact O-CB 3.3Å; T99-N148 WeakPolarHBondContact O-CB 3.39Å; T99-N148 PolarHBondContact O-ND2 2.96Å; L100-N148 HydrophobicContact CD1-CB 4.23Å; V101-N148 PolarHBondContact N-O 2.94Å; E146-N148 PolarHBondContact O-N 3.5Å; N148-V237 HydrophobicContact CB-CG1 3.69Å; N148-G238 VanDerWaalsContact OD1-CA 3.22Å; N148-G238 WeakPolarHBondContact OD1-CA 3.43Å
149	V	98.9	Very high	97.3	Very high	21 Å²	21	36.3 Å²	36.3	13%	0.127	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.2	-176	-172.4	0	0	0	0	109.6	V101 L103 R143 E146	V101-V149 HydrophobicContact CB-CG2 4.22Å; V101-V149 HydrophobicContact CG1-CG1 4.4Å; V101-V149 WeakPolarHBondContact O-CA 3.4Å; L103-V149 HydrophobicContact CD1-CG1 3.76Å; L103-V149 HydrophobicContact CG-CG1 3.85Å; R143-V149 HydrophobicContact CG-CB 4.25Å; R143-V149 HydrophobicContact CG-CG1 4.14Å; R143-V149 HydrophobicContact CG-CG2 4.43Å; E146-V149 HydrophobicContact CB-CG2 3.64Å
150	L	98.9	Very high	96.2	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.5	162	-67.9	174.7	0	0	0	109.2	L100 V101 L102 L103 L152 D182 F235 V237 V242 I287	L100-L150 HydrophobicContact CD1-CD1 4.46Å; L100-L150 HydrophobicContact CD1-CG 4.26Å; L100-L150 HydrophobicContact CD2-CD1 4.38Å; V101-L150 PolarHBondContact O-N 2.97Å; L102-L150 HydrophobicContact CD2-CB 4.12Å; L102-L150 HydrophobicContact CD2-CD1 4.33Å; L103-L150 PolarHBondContact N-O 3.37Å; L150-L152 HydrophobicContact CB-CD1 4.49Å; L150-L152 HydrophobicContact CB-CD2 4.29Å; L150-L152 HydrophobicContact CB-CG 4.22Å; L150-D182 WeakPolarHBondContact CA-OD2 3.38Å; L150-D182 HydrophobicContact CD2-CB 3.99Å; L150-F235 HydrophobicContact CD2-CB 4.27Å; L150-F235 HydrophobicContact CD2-CD1 4.18Å; L150-F235 HydrophobicContact CD2-CG 4.12Å; L150-V237 HydrophobicContact CD1-CG2 4.39Å; L150-V237 HydrophobicContact CD2-CG2 3.86Å; L150-V237 HydrophobicContact CG-CG2 4.15Å; L150-V242 HydrophobicContact CD1-CG1 4.2Å; L150-I287 HydrophobicContact CD1-CD1 4.37Å
151	L	98.9	Very high	95.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	114	171.2	176.4	63	0	0	0	109.3	L103 I139 L179 Y181 D182 L358	L103-L151 HydrophobicContact CB-CB 4.41Å; L103-L151 HydrophobicContact CB-CD1 3.66Å; L103-L151 WeakPolarHBondContact O-CA 3.44Å; I139-L151 HydrophobicContact CD1-CD1 4.08Å; I139-L151 HydrophobicContact CD1-CD2 3.58Å; I139-L151 HydrophobicContact CG1-CD1 4.31Å; I139-L151 HydrophobicContact CG1-CD2 4.23Å; I139-L151 HydrophobicContact CG2-CD2 4.12Å; L151-L179 HydrophobicContact CD2-CB 4.48Å; L151-Y181 HydrophobicContact CD1-CD1 4.31Å; L151-Y181 HydrophobicContact CD1-CE1 3.93Å; L151-Y181 HydrophobicContact CD2-CD1 4.08Å; L151-Y181 HydrophobicContact CD2-CD2 3.68Å; L151-Y181 HydrophobicContact CD2-CE1 4.19Å; L151-Y181 HydrophobicContact CD2-CE2 3.82Å; L151-Y181 HydrophobicContact CD2-CG 3.83Å; L151-Y181 HydrophobicContact CG-CD1 3.66Å; L151-Y181 HydrophobicContact CG-CD2 4.2Å; L151-Y181 HydrophobicContact CG-CE1 3.77Å; L151-Y181 HydrophobicContact CG-CE2 4.33Å; L151-Y181 HydrophobicContact CG-CG 3.89Å; L151-D182 PolarHBondContact N-OD2 2.75Å; L151-D182 PolarHBondContact O-N 2.98Å; L151-L358 HydrophobicContact CD1-CD1 4.34Å
152	L	98.9	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.4	-170.5	-57.3	176.1	0	0	0	110.8	L102 L103 H104 T105 L150 A183 I287 L289 I311	L102-L152 HydrophobicContact CD2-CD1 4.14Å; L103-L152 PolarHBondContact O-N 2.74Å; H104-L152 WeakPolarHBondContact CA-O 3.44Å; T105-L152 PolarHBondContact N-O 2.85Å; L150-L152 HydrophobicContact CB-CD1 4.49Å; L150-L152 HydrophobicContact CB-CD2 4.29Å; L150-L152 HydrophobicContact CB-CG 4.22Å; L152-A183 WeakPolarHBondContact CA-O 3.37Å; L152-A183 HydrophobicContact CD2-CB 3.9Å; L152-I287 HydrophobicContact CD1-CD1 4.47Å; L152-I287 HydrophobicContact CD1-CG2 4.35Å; L152-L289 HydrophobicContact CB-CD1 4.02Å; L152-L289 HydrophobicContact CB-CD2 4.02Å; L152-L289 HydrophobicContact CD2-CD2 4.32Å; L152-I311 HydrophobicContact CD1-CD1 3.71Å
153	D	98.9	Very high	94.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.5	172.7	-162.9	-110.8	0	0	0	112	T105 G155 Q157 M176 Y181 A183 M184 V185	T105-D153 WeakPolarHBondContact CB-OD2 3.42Å; T105-D153 CarbonylContact O-C 2.81Å; T105-D153 WeakPolarHBondContact O-CA 3.23Å; T105-D153 PolarHBondContact OG1-OD2 2.81Å; D153-G155 VanDerWaalsContact C-N 3.27Å; D153-G155 PolarHBondContact O-N 3.06Å; D153-G155 PolarHBondContact OD1-N 2.91Å; D153-Q157 WeakPolarHBondContact OD1-CG 3.19Å; D153-Q157 PolarHBondContact OD1-NE2 2.79Å; D153-Q157 PolarHBondContact OD2-NE2 2.94Å; D153-M176 HydrophobicContact CB-CE 3.81Å; D153-Y181 HydrophobicContact CB-CD1 3.82Å; D153-Y181 HydrophobicContact CB-CE1 3.69Å; D153-A183 PolarHBondContact N-O 2.94Å; D153-M184 HydrophobicContact CB-CB 3.88Å; D153-M184 CarbonylContact O-C 3.5Å; D153-M184 VanDerWaalsContact O-CA 3.26Å; D153-M184 WeakPolarHBondContact O-CA 3.41Å; D153-V185 PolarHBondContact O-N 3.35Å
154	A	98.8	Very high	94.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.			trans	-92.9	30.3	-178.9	0	0	0	0	0	112.8	T105 N106 V185 L289 H291 I311 G312	T105-A154 PolarHBondContact O-N 3.03Å; N106-A154 HydrophobicContact CB-CB 3.86Å; A154-V185 VanDerWaalsContact C-CG2 3.46Å; A154-L289 HydrophobicContact CB-CD1 3.89Å; A154-H291 WeakPolarHBondContact O-CB 3.36Å; A154-H291 PolarHBondContact O-ND1 3.1Å; A154-I311 HydrophobicContact CB-CG2 4.49Å; A154-G312 VanDerWaalsContact CB-C 3.49Å; A154-G312 WeakPolarHBondContact CB-O 3.07Å
155	G	96.6	Very high	93.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	87	175.8	170	0	0	0	0	0	115.1	D107 D153 V185	D107-G155 PolarHBondContact N-O 2.93Å; D153-G155 VanDerWaalsContact C-N 3.27Å; D153-G155 PolarHBondContact O-N 3.06Å; D153-G155 PolarHBondContact OD1-N 2.91Å; G155-V185 WeakPolarHBondContact CA-O 3.37Å
156	D	95.9	Very high	93	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.016	9%	0.094	C	C	.	.			trans	58.9	49.7	-174.7	-79	7.4	0	0	0	113.1	D107 V108 H109 F158 G187 N188 H189 E190 H291	D107-D156 CarbonylContact C-O 3.55Å; V108-D156 PolarHBondContact N-O 2.92Å; V108-D156 VanDerWaalsContact N-O 3.09Å; H109-D156 IonicContact CE1-OD2 3.58Å; H109-D156 PolarHBondContact CE1-OD2 2.83Å; H109-D156 PolarHBondContact N-O 2.81Å; H109-D156 IonicContact NE2-OD2 3.69Å; D156-F158 VanDerWaalsContact C-N 3.3Å; D156-G187 VanDerWaalsContact OD1-CA 3.3Å; D156-G187 WeakPolarHBondContact OD1-CA 3.46Å; D156-N188 PolarHBondContact OD1-N 2.82Å; D156-H189 WeakPolarHBondContact OD1-CB 3.45Å; D156-H189 IonicContact OD1-CD2 3.21Å; D156-H189 PolarHBondContact OD1-N 3.06Å; D156-H189 IonicContact OD2-CD2 3.53Å; D156-H189 PolarHBondContact OD2-CD2 3.09Å; D156-H189 VanDerWaalsContact OD2-CD2 3.28Å; D156-E190 WeakPolarHBondContact CA-OE1 3.46Å; D156-E190 PolarHBondContact N-OE1 2.85Å; D156-E190 PolarHBondContact N-OE2 3.36Å; D156-H291 VanDerWaalsContact CB-CE1 3.44Å; D156-H291 WeakPolarHBondContact CB-CE1 3.16Å; D156-H291 IonicContact OD1-CE1 2.59Å; D156-H291 IonicContact OD1-NE2 2.77Å; D156-H291 PolarHBondContact OD1-NE2 3.2Å; D156-H291 IonicContact OD2-CE1 3.32Å; D156-H291 PolarHBondContact OD2-CE1 2.91Å; D156-H291 VanDerWaalsContact OD2-CE1 3.24Å; D156-H291 IonicContact OD2-NE2 3.86Å; D156-H291 PolarHBondContact OD2-NE2 2.82Å; D156-H291 VanDerWaalsContact OD2-NE2 3.08Å
157	Q	97.5	Very high	92.8	Very high	11 Å²	11	16.3 Å²	16.3	5%	0.051	9%	0.092	C	C	.	.			trans	-71	-34.4	160.7	-69.1	-63.6	-46.9	0	0	110.6	H109 A110 D153 A172 M176 E190	H109-Q157 CarbonylContact C-O 3.57Å; A110-Q157 PolarHBondContact N-O 2.85Å; D153-Q157 WeakPolarHBondContact OD1-CG 3.19Å; D153-Q157 PolarHBondContact OD1-NE2 2.79Å; D153-Q157 PolarHBondContact OD2-NE2 2.94Å; Q157-A172 HydrophobicContact CB-CB 4.03Å; Q157-M176 HydrophobicContact CG-CE 4.31Å; Q157-M176 HydrophobicContact CG-SD 3.69Å; Q157-E190 PolarHBondContact N-OE1 2.93Å
158	F	93.2	Very high	92.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-71.8	163.3	-178.1	-78	22.9	0	0	0	111.7	H109 D156 F164 A172 H189 E190 L198 F202	H109-F158 PolarHBondContact ND1-O 3.22Å; D156-F158 VanDerWaalsContact C-N 3.3Å; F158-F164 HydrophobicContact CB-CD2 4.07Å; F158-F164 HydrophobicContact CB-CE2 3.73Å; F158-F164 HydrophobicContact CB-CZ 3.97Å; F158-F164 HydrophobicContact CD1-CD2 4.29Å; F158-F164 AromaticContact CD1-CE2 3.99Å; F158-F164 HydrophobicContact CD1-CE2 3.99Å; F158-F164 HydrophobicContact CD2-CD2 4.21Å; F158-F164 AromaticContact CD2-CE2 3.19Å; F158-F164 HydrophobicContact CD2-CE2 3.19Å; F158-F164 AromaticContact CD2-CZ 3.48Å; F158-F164 HydrophobicContact CD2-CZ 3.48Å; F158-F164 VanDerWaalsContact CD2-CZ 3.48Å; F158-F164 HydrophobicContact CE1-CE2 4.44Å; F158-F164 AromaticContact CE2-CE2 3.75Å; F158-F164 HydrophobicContact CE2-CE2 3.75Å; F158-F164 HydrophobicContact CE2-CZ 4.22Å; F158-F164 AromaticContact CG-CD2 3.93Å; F158-F164 HydrophobicContact CG-CD2 3.93Å; F158-F164 AromaticContact CG-CE2 3.34Å; F158-F164 HydrophobicContact CG-CE2 3.34Å; F158-F164 AromaticContact CG-CZ 3.9Å; F158-F164 HydrophobicContact CG-CZ 3.9Å; F158-F164 HydrophobicContact CZ-CE2 4.34Å; F158-A172 HydrophobicContact CD1-CB 4.32Å; F158-A172 HydrophobicContact CE1-CB 4.16Å; F158-H189 HydrophobicContact CB-CB 4.35Å; F158-H189 VanDerWaalsContact CB-O 3.3Å; F158-H189 WeakPolarHBondContact CB-O 3.34Å; F158-E190 HydrophobicContact CD1-CG 4.3Å; F158-E190 VanDerWaalsContact CD2-CA 3.46Å; F158-E190 HydrophobicContact CD2-CB 4.37Å; F158-E190 HydrophobicContact CD2-CG 4.34Å; F158-E190 WeakPolarHBondContact CE2-O 3.42Å; F158-E190 HydrophobicContact CG-CG 4.19Å; F158-E190 PolarHBondContact N-OE1 2.91Å; F158-L198 HydrophobicContact CE2-CD1 3.94Å; F158-L198 HydrophobicContact CZ-CD1 3.97Å; F158-F202 HydrophobicContact CE1-CB 4.09Å; F158-F202 HydrophobicContact CE1-CD1 4.16Å; F158-F202 AromaticContact CE1-CD2 3.57Å; F158-F202 HydrophobicContact CE1-CD2 3.57Å; F158-F202 HydrophobicContact CE1-CE1 4.47Å; F158-F202 AromaticContact CE1-CE2 3.93Å; F158-F202 HydrophobicContact CE1-CE2 3.93Å; F158-F202 AromaticContact CE1-CG 3.68Å; F158-F202 HydrophobicContact CE1-CG 3.68Å; F158-F202 HydrophobicContact CE1-CZ 4.34Å; F158-F202 HydrophobicContact CZ-CB 3.53Å; F158-F202 AromaticContact CZ-CD1 3.94Å; F158-F202 HydrophobicContact CZ-CD1 3.94Å; F158-F202 AromaticContact CZ-CD2 3.92Å; F158-F202 HydrophobicContact CZ-CD2 3.92Å; F158-F202 AromaticContact CZ-CG 3.52Å; F158-F202 HydrophobicContact CZ-CG 3.52Å
159	Q	83.5	Confident	92.4	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.019	7%	0.071	C	C	.	.	S	Bend	trans	65.7	158.3	175.6	-165.5	54.9	-80.4	0	0	115.1	H109 A110 F164 H189 D192 P488 F489	H109-Q159 CarbonylContact C-O 3.59Å; H109-Q159 WeakPolarHBondContact CA-O 3.25Å; H109-Q159 VanDerWaalsContact CB-O 3.24Å; H109-Q159 WeakPolarHBondContact CB-O 3.41Å; A110-Q159 PolarHBondContact N-O 2.98Å; Q159-F164 HydrophobicContact CB-CD1 4.29Å; Q159-F164 HydrophobicContact CB-CE1 4.46Å; Q159-F164 VanDerWaalsContact N-CG 3.33Å; Q159-H189 HydrophobicContact CB-CB 3.96Å; Q159-D192 WeakPolarHBondContact CG-OD2 3.48Å; Q159-D192 PolarHBondContact NE2-OD2 3.26Å; Q159-P488 HydrophobicContact CG-CG 4.27Å; Q159-P488 VanDerWaalsContact OE1-CG 3.24Å; Q159-F489 HydrophobicContact CG-CD1 4.3Å; Q159-F489 HydrophobicContact CG-CE1 3.64Å; Q159-F489 HydrophobicContact CG-CZ 4.15Å; Q159-F489 VanDerWaalsContact NE2-CE1 3.34Å
160	G	76.8	Confident	92.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	107.6	-15.9	158	0	0	0	0	0	116.8	R111	R111-G160 VanDerWaalsContact NH1-CA 3.34Å; R111-G160 PolarHBondContact NH1-O 2.87Å
161	M	84.1	Confident	92.2	Very high	20 Å²	20	14.3 Å²	14.3	10%	0.099	7%	0.073	C	C	.	.	S	Bend	trans	-134.5	162	166	-57.9	-62.7	-106	0	0	108.8	A110 R111 T115 W163 F164 T485	A110-M161 HydrophobicContact CB-CB 4.2Å; R111-M161 HydrophobicContact CG-CE 4.33Å; R111-M161 HydrophobicContact CG-CG 4.17Å; R111-M161 VanDerWaalsContact CZ-SD 3.53Å; T115-M161 HydrophobicContact CG2-CE 4.36Å; M161-W163 PolarHBondContact O-N 2.85Å; M161-F164 PolarHBondContact O-N 2.9Å; M161-F164 VanDerWaalsContact O-N 3.13Å; M161-T485 HydrophobicContact CE-CG2 4.33Å; M161-T485 HydrophobicContact SD-CG2 3.34Å; M161-T485 WeakPolarHBondContact SD-CG2 3.33Å
162	V	86.4	Confident	92.2	Very high	5 Å²	5	14.7 Å²	14.7	3%	0.03	8%	0.076	C	C	.	.	H	α-helix	trans	-52.5	-24.9	178.1	67.8	0	0	0	0	114.2	F164 T165 L166 L402 T406 E481 L484	V162-F164 PolarHBondContact O-N 3.04Å; V162-T165 WeakPolarHBondContact O-CB 3.34Å; V162-T165 PolarHBondContact O-N 3.12Å; V162-T165 VanDerWaalsContact O-N 3.12Å; V162-L166 PolarHBondContact O-N 3.09Å; V162-L402 HydrophobicContact CB-CD2 4.41Å; V162-L402 HydrophobicContact CG1-CD1 4.26Å; V162-L402 HydrophobicContact CG1-CD2 3.94Å; V162-L402 HydrophobicContact CG2-CD2 3.94Å; V162-T406 HydrophobicContact CG2-CG2 3.9Å; V162-E481 HydrophobicContact CB-CG 4.09Å; V162-E481 HydrophobicContact CG1-CG 3.65Å; V162-E481 HydrophobicContact CG2-CG 4.32Å; V162-L484 HydrophobicContact CG2-CB 4.41Å; V162-L484 HydrophobicContact CG2-CD1 4.19Å
163	W	90.9	Very high	92.2	Very high	5 Å²	5	14.7 Å²	14.7	2%	0.019	8%	0.076	C	C	.	.	H	α-helix	trans	-51	-52.9	175.2	-77.8	86.9	0	0	0	111.7	A110 V112 E113 M161 T165 L166 Y167 E171 F175 V395 W398 K399 L402	A110-W163 HydrophobicContact CB-CB 4.15Å; V112-W163 HydrophobicContact CB-CD2 3.76Å; V112-W163 HydrophobicContact CB-CE3 4.01Å; V112-W163 HydrophobicContact CB-CG 4.16Å; V112-W163 HydrophobicContact CB-CZ2 4.3Å; V112-W163 HydrophobicContact CB-CZ3 4.38Å; V112-W163 HydrophobicContact CG1-CD2 4.2Å; V112-W163 HydrophobicContact CG1-CE3 4.04Å; V112-W163 HydrophobicContact CG1-CH2 3.96Å; V112-W163 HydrophobicContact CG1-CZ2 4.13Å; V112-W163 HydrophobicContact CG1-CZ3 3.91Å; V112-W163 HydrophobicContact CG2-CB 4.26Å; V112-W163 HydrophobicContact CG2-CD2 3.83Å; V112-W163 HydrophobicContact CG2-CE3 3.87Å; V112-W163 HydrophobicContact CG2-CG 4.01Å; E113-W163 HydrophobicContact CG-CZ2 3.67Å; E113-W163 PolarHBondContact OE1-NE1 2.84Å; M161-W163 PolarHBondContact O-N 2.85Å; W163-T165 VanDerWaalsContact C-N 3.35Å; W163-T165 PolarHBondContact O-N 2.84Å; W163-L166 PolarHBondContact O-N 2.92Å; W163-Y167 AromaticContact CE3-CD2 3.78Å; W163-Y167 HydrophobicContact CE3-CD2 3.78Å; W163-Y167 AromaticContact CE3-CE2 3.7Å; W163-Y167 HydrophobicContact CE3-CE2 3.7Å; W163-Y167 HydrophobicContact CZ3-CD2 4.33Å; W163-Y167 AromaticContact CZ3-CE2 3.88Å; W163-Y167 HydrophobicContact CZ3-CE2 3.88Å; W163-Y167 WeakPolarHBondContact O-CB 3.49Å; W163-Y167 VanDerWaalsContact O-CD2 3.31Å; W163-Y167 WeakPolarHBondContact O-CD2 3.22Å; W163-Y167 PolarHBondContact O-N 3.48Å; W163-E171 HydrophobicContact CB-CG 4.31Å; W163-E171 HydrophobicContact CE3-CB 4.17Å; W163-E171 HydrophobicContact CE3-CG 4.4Å; W163-F175 HydrophobicContact CZ3-CE2 4.34Å; W163-V395 HydrophobicContact CH2-CG1 4Å; W163-V395 WeakPolarHBondContact CH2-O 3.22Å; W163-V395 HydrophobicContact CZ2-CG1 4.03Å; W163-W398 HydrophobicContact CH2-CB 3.81Å; W163-W398 HydrophobicContact CZ3-CB 3.61Å; W163-W398 HydrophobicContact CZ3-CE3 4.3Å; W163-W398 HydrophobicContact CZ3-CG 4.46Å; W163-K399 HydrophobicContact CH2-CB 4.26Å; W163-K399 HydrophobicContact CZ2-CB 4.1Å; W163-L402 HydrophobicContact CD2-CD1 3.52Å; W163-L402 HydrophobicContact CE3-CD1 3.98Å; W163-L402 HydrophobicContact CG-CD1 3.89Å; W163-L402 HydrophobicContact CH2-CD1 4.19Å; W163-L402 HydrophobicContact CZ2-CD1 3.74Å; W163-L402 HydrophobicContact CZ3-CD1 4.3Å
164	F	89.6	Confident	92.2	Very high	3 Å²	3	17.8 Å²	17.8	1%	0.013	9%	0.09	C	C	.	.	H	α-helix	trans	-67.3	-37.1	178	178.8	-109.7	0	0	0	112	A110 F158 Q159 M161 V162 L166 K168 E171 D192 N193	A110-F164 HydrophobicContact CB-CB 3.91Å; F158-F164 HydrophobicContact CB-CD2 4.07Å; F158-F164 HydrophobicContact CB-CE2 3.73Å; F158-F164 HydrophobicContact CB-CZ 3.97Å; F158-F164 HydrophobicContact CD1-CD2 4.29Å; F158-F164 AromaticContact CD1-CE2 3.99Å; F158-F164 HydrophobicContact CD1-CE2 3.99Å; F158-F164 HydrophobicContact CD2-CD2 4.21Å; F158-F164 AromaticContact CD2-CE2 3.19Å; F158-F164 HydrophobicContact CD2-CE2 3.19Å; F158-F164 AromaticContact CD2-CZ 3.48Å; F158-F164 HydrophobicContact CD2-CZ 3.48Å; F158-F164 VanDerWaalsContact CD2-CZ 3.48Å; F158-F164 HydrophobicContact CE1-CE2 4.44Å; F158-F164 AromaticContact CE2-CE2 3.75Å; F158-F164 HydrophobicContact CE2-CE2 3.75Å; F158-F164 HydrophobicContact CE2-CZ 4.22Å; F158-F164 AromaticContact CG-CD2 3.93Å; F158-F164 HydrophobicContact CG-CD2 3.93Å; F158-F164 AromaticContact CG-CE2 3.34Å; F158-F164 HydrophobicContact CG-CE2 3.34Å; F158-F164 AromaticContact CG-CZ 3.9Å; F158-F164 HydrophobicContact CG-CZ 3.9Å; F158-F164 HydrophobicContact CZ-CE2 4.34Å; Q159-F164 HydrophobicContact CB-CD1 4.29Å; Q159-F164 HydrophobicContact CB-CE1 4.46Å; Q159-F164 VanDerWaalsContact N-CG 3.33Å; M161-F164 PolarHBondContact O-N 2.9Å; M161-F164 VanDerWaalsContact O-N 3.13Å; V162-F164 PolarHBondContact O-N 3.04Å; F164-L166 PolarHBondContact O-N 2.79Å; F164-K168 VanDerWaalsContact O-CA 3.28Å; F164-K168 WeakPolarHBondContact O-CA 3.48Å; F164-K168 PolarHBondContact O-N 2.86Å; F164-E171 WeakPolarHBondContact CA-OE1 3.1Å; F164-D192 HydrophobicContact CE1-CB 4.35Å; F164-N193 WeakPolarHBondContact CZ-ND2 3.47Å
165	T	85.1	Confident	92.2	Very high	36 Å²	36	18 Å²	18	22%	0.221	9%	0.091	C	C	.	.	H	α-helix	trans	-57.5	-40.4	178.1	-51.2	0	0	0	0	111.6	V162 W163 K168 L484	V162-T165 WeakPolarHBondContact O-CB 3.34Å; V162-T165 PolarHBondContact O-N 3.12Å; V162-T165 VanDerWaalsContact O-N 3.12Å; W163-T165 VanDerWaalsContact C-N 3.35Å; W163-T165 PolarHBondContact O-N 2.84Å; T165-K168 WeakPolarHBondContact O-CE 3.5Å; T165-K168 PolarHBondContact O-NZ 3.19Å; T165-L484 HydrophobicContact CG2-CD2 4.37Å
166	L	87.5	Confident	92.3	Very high	69 Å²	69	18.2 Å²	18.2	36%	0.361	9%	0.092	S	C	.	.	H	α-helix	trans	-85.4	-47.6	-179.9	-175.5	63.3	0	0	0	113	V162 W163 F164 N401 L402	V162-L166 PolarHBondContact O-N 3.09Å; W163-L166 PolarHBondContact O-N 2.92Å; F164-L166 PolarHBondContact O-N 2.79Å; L166-N401 HydrophobicContact CD2-CB 4.3Å; L166-L402 HydrophobicContact CB-CD2 3.63Å; L166-L402 HydrophobicContact CD2-CD2 3.42Å; L166-L402 VanDerWaalsContact CD2-CD2 3.42Å; L166-L402 HydrophobicContact CD2-CG 3.88Å; L166-L402 HydrophobicContact CG-CD2 4.15Å
167	Y	92.6	Very high	92.4	Very high	34 Å²	34	20.1 Å²	20.1	13%	0.133	10%	0.102	C	C	.	.	H	α-helix	trans	-95.4	-10.9	-169	-65.9	-65.4	0	0	0	114.5	W163 G169 A170 E171 W398 L402	W163-Y167 AromaticContact CE3-CD2 3.78Å; W163-Y167 HydrophobicContact CE3-CD2 3.78Å; W163-Y167 AromaticContact CE3-CE2 3.7Å; W163-Y167 HydrophobicContact CE3-CE2 3.7Å; W163-Y167 HydrophobicContact CZ3-CD2 4.33Å; W163-Y167 AromaticContact CZ3-CE2 3.88Å; W163-Y167 HydrophobicContact CZ3-CE2 3.88Å; W163-Y167 WeakPolarHBondContact O-CB 3.49Å; W163-Y167 VanDerWaalsContact O-CD2 3.31Å; W163-Y167 WeakPolarHBondContact O-CD2 3.22Å; W163-Y167 PolarHBondContact O-N 3.48Å; Y167-G169 PolarHBondContact O-N 3.49Å; Y167-G169 VanDerWaalsContact O-N 3.1Å; Y167-A170 WeakPolarHBondContact O-CB 3.31Å; Y167-A170 PolarHBondContact O-N 3.35Å; Y167-E171 WeakPolarHBondContact CB-OE2 3.46Å; Y167-E171 HydrophobicContact CD2-CB 4.3Å; Y167-E171 HydrophobicContact CG-CB 4.35Å; Y167-W398 AromaticContact CD1-CE3 3.63Å; Y167-W398 HydrophobicContact CD1-CE3 3.63Å; Y167-W398 AromaticContact CD1-CZ3 3.59Å; Y167-W398 HydrophobicContact CD1-CZ3 3.59Å; Y167-W398 AromaticContact CD2-CE3 3.92Å; Y167-W398 HydrophobicContact CD2-CE3 3.92Å; Y167-W398 HydrophobicContact CD2-CZ3 4.31Å; Y167-W398 HydrophobicContact CE1-CD2 4.22Å; Y167-W398 AromaticContact CE1-CE3 3.5Å; Y167-W398 HydrophobicContact CE1-CE3 3.5Å; Y167-W398 VanDerWaalsContact CE1-CE3 3.5Å; Y167-W398 AromaticContact CE1-CZ3 3.92Å; Y167-W398 HydrophobicContact CE1-CZ3 3.92Å; Y167-W398 HydrophobicContact CE2-CB 4.38Å; Y167-W398 AromaticContact CE2-CE3 3.81Å; Y167-W398 HydrophobicContact CE2-CE3 3.81Å; Y167-W398 AromaticContact CG-CE3 3.83Å; Y167-W398 HydrophobicContact CG-CE3 3.83Å; Y167-W398 AromaticContact CG-CZ3 3.8Å; Y167-W398 HydrophobicContact CG-CZ3 3.8Å; Y167-W398 AromaticContact CZ-CE3 3.59Å; Y167-W398 VanDerWaalsContact OH-C 3.28Å; Y167-W398 PolarHBondContact OH-O 2.98Å; Y167-L402 HydrophobicContact CE2-CD1 4.08Å; Y167-L402 HydrophobicContact CE2-CD2 4.14Å; Y167-L402 HydrophobicContact CE2-CG 3.93Å
168	K	91.8	Very high	92.5	Very high	89 Å²	89	25.4 Å²	25.4	39%	0.387	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	29.8	170.4	-54.2	-63.8	-173.3	-171.5	0	113.9	F164 T165 P201	F164-K168 VanDerWaalsContact O-CA 3.28Å; F164-K168 WeakPolarHBondContact O-CA 3.48Å; F164-K168 PolarHBondContact O-N 2.86Å; T165-K168 WeakPolarHBondContact O-CE 3.5Å; T165-K168 PolarHBondContact O-NZ 3.19Å; K168-P201 WeakPolarHBondContact O-CD 3.27Å
169	G	94.6	Very high	92.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.8	-12.2	-179.6	0	0	0	0	0	114.2	Y167 E171 A172 A173 F202	Y167-G169 PolarHBondContact O-N 3.49Å; Y167-G169 VanDerWaalsContact O-N 3.1Å; G169-E171 WeakPolarHBondContact CA-OE2 3.4Å; G169-E171 PolarHBondContact N-OE2 2.77Å; G169-E171 PolarHBondContact O-N 2.88Å; G169-A172 WeakPolarHBondContact O-CB 3.47Å; G169-A172 PolarHBondContact O-N 2.68Å; G169-A172 VanDerWaalsContact O-N 3.08Å; G169-A173 PolarHBondContact O-N 3.37Å; G169-F202 WeakPolarHBondContact O-CD2 3.39Å
170	A	97.9	Very high	93.5	Very high	21 Å²	21	27 Å²	27	17%	0.174	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-35.6	175.2	0	0	0	0	0	111.8	Y167 H174 P201 W398	Y167-A170 WeakPolarHBondContact O-CB 3.31Å; Y167-A170 PolarHBondContact O-N 3.35Å; A170-H174 VanDerWaalsContact O-CB 3.22Å; A170-H174 WeakPolarHBondContact O-CB 3.42Å; A170-H174 PolarHBondContact O-N 3.26Å; A170-P201 HydrophobicContact CB-CB 4.11Å; A170-P201 HydrophobicContact CB-CG 3.62Å; A170-W398 HydrophobicContact CB-CH2 4.24Å; A170-W398 HydrophobicContact CB-CZ3 4.35Å
171	E	97.4	Very high	94.5	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-64.7	-41.5	175.9	80.1	-68.7	-178.7	0	0	111.5	V112 W163 F164 Y167 G169 F175 W398	V112-E171 HydrophobicContact CG2-CB 4.43Å; V112-E171 HydrophobicContact CG2-CG 3.93Å; W163-E171 HydrophobicContact CB-CG 4.31Å; W163-E171 HydrophobicContact CE3-CB 4.17Å; W163-E171 HydrophobicContact CE3-CG 4.4Å; F164-E171 WeakPolarHBondContact CA-OE1 3.1Å; Y167-E171 WeakPolarHBondContact CB-OE2 3.46Å; Y167-E171 HydrophobicContact CD2-CB 4.3Å; Y167-E171 HydrophobicContact CG-CB 4.35Å; G169-E171 WeakPolarHBondContact CA-OE2 3.4Å; G169-E171 PolarHBondContact N-OE2 2.77Å; G169-E171 PolarHBondContact O-N 2.88Å; E171-F175 HydrophobicContact CB-CD2 4.44Å; E171-F175 WeakPolarHBondContact O-CD2 3.32Å; E171-F175 PolarHBondContact O-N 3.15Å; E171-W398 HydrophobicContact CB-CE3 4.13Å; E171-W398 HydrophobicContact CB-CZ3 3.76Å
172	A	98.1	Very high	95.2	Very high	7 Å²	7	28.7 Å²	28.7	6%	0.058	15%	0.146	C	C	.	.	H	α-helix	trans	-65	-50.4	178.7	0	0	0	0	0	110	Q157 F158 G169 H174 F175 M176 F202	Q157-A172 HydrophobicContact CB-CB 4.03Å; F158-A172 HydrophobicContact CD1-CB 4.32Å; F158-A172 HydrophobicContact CE1-CB 4.16Å; G169-A172 WeakPolarHBondContact O-CB 3.47Å; G169-A172 PolarHBondContact O-N 2.68Å; G169-A172 VanDerWaalsContact O-N 3.08Å; A172-H174 PolarHBondContact O-N 3.44Å; A172-F175 PolarHBondContact O-N 3.48Å; A172-M176 WeakPolarHBondContact O-CB 3.4Å; A172-M176 WeakPolarHBondContact O-CG 3.32Å; A172-M176 PolarHBondContact O-N 2.94Å; A172-F202 HydrophobicContact CB-CD2 4.12Å; A172-F202 HydrophobicContact CB-CE2 3.78Å
173	A	98.7	Very high	95.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.9	-48.8	176.8	0	0	0	0	0	111.7	G169 N177 F202 D205 I206	G169-A173 PolarHBondContact O-N 3.37Å; A173-N177 VanDerWaalsContact O-CB 3.27Å; A173-N177 WeakPolarHBondContact O-CB 3.29Å; A173-N177 PolarHBondContact O-N 3.44Å; A173-N177 PolarHBondContact O-ND2 2.91Å; A173-F202 HydrophobicContact CB-CD2 3.66Å; A173-F202 HydrophobicContact CB-CE2 4.07Å; A173-D205 HydrophobicContact CB-CB 4.01Å; A173-I206 HydrophobicContact CB-CB 4.34Å; A173-I206 HydrophobicContact CB-CD1 4.48Å
174	H	98.8	Very high	96.2	Very high	66 Å²	66	28.2 Å²	28.2	31%	0.306	14%	0.143	S	C	.	.	H	α-helix	trans	-59.2	-54	-179.3	-179.4	80.6	0	0	0	112.3	A170 A172 N177 R178 E394 W398	A170-H174 VanDerWaalsContact O-CB 3.22Å; A170-H174 WeakPolarHBondContact O-CB 3.42Å; A170-H174 PolarHBondContact O-N 3.26Å; A172-H174 PolarHBondContact O-N 3.44Å; H174-N177 PolarHBondContact O-N 2.96Å; H174-R178 WeakPolarHBondContact O-CB 3.49Å; H174-R178 PolarHBondContact O-N 3.03Å; H174-E394 IonicContact CD2-OE2 3.74Å; H174-E394 IonicContact CE1-OE2 2.95Å; H174-E394 IonicContact NE2-OE2 2.83Å; H174-E394 PolarHBondContact NE2-OE2 3.44Å; H174-W398 HydrophobicContact CB-CH2 4.06Å; H174-W398 HydrophobicContact CB-CZ2 4.21Å; H174-W398 AromaticContact CG-CZ2 3.99Å
175	F	98.8	Very high	96.6	Very high	5 Å²	5	28.1 Å²	28.1	2%	0.022	14%	0.143	C	C	.	.	H	α-helix	trans	-75	-32.2	-175.6	-69	-63.7	0	0	0	112.8	V112 V132 W163 E171 A172 R178 L179 V391 E394 V395	V112-F175 HydrophobicContact CG1-CD2 3.71Å; V112-F175 HydrophobicContact CG1-CE2 3.46Å; V112-F175 VanDerWaalsContact CG1-CE2 3.46Å; V112-F175 HydrophobicContact CG1-CZ 4.09Å; V112-F175 HydrophobicContact CG2-CD2 4.37Å; V132-F175 HydrophobicContact CB-CB 4.28Å; V132-F175 HydrophobicContact CB-CD1 4.49Å; V132-F175 HydrophobicContact CB-CG 4.4Å; V132-F175 HydrophobicContact CG1-CB 4.06Å; V132-F175 HydrophobicContact CG1-CG 4.41Å; V132-F175 HydrophobicContact CG2-CB 4.27Å; V132-F175 HydrophobicContact CG2-CD1 3.7Å; V132-F175 HydrophobicContact CG2-CD2 4.33Å; V132-F175 HydrophobicContact CG2-CE1 4.11Å; V132-F175 HydrophobicContact CG2-CG 3.84Å; W163-F175 HydrophobicContact CZ3-CE2 4.34Å; E171-F175 HydrophobicContact CB-CD2 4.44Å; E171-F175 WeakPolarHBondContact O-CD2 3.32Å; E171-F175 PolarHBondContact O-N 3.15Å; A172-F175 PolarHBondContact O-N 3.48Å; F175-R178 WeakPolarHBondContact O-CB 3.48Å; F175-R178 PolarHBondContact O-N 2.98Å; F175-L179 WeakPolarHBondContact O-CB 3.37Å; F175-L179 VanDerWaalsContact O-CD1 3.23Å; F175-L179 WeakPolarHBondContact O-CD1 3.45Å; F175-L179 PolarHBondContact O-N 3.22Å; F175-V391 HydrophobicContact CD1-CG1 4.13Å; F175-V391 HydrophobicContact CE1-CG1 4.22Å; F175-E394 HydrophobicContact CE1-CB 4.07Å; F175-E394 HydrophobicContact CZ-CB 4.46Å; F175-V395 HydrophobicContact CD1-CG2 4.49Å; F175-V395 HydrophobicContact CE1-CG2 3.66Å; F175-V395 HydrophobicContact CE2-CG2 4.33Å; F175-V395 HydrophobicContact CZ-CB 4.37Å; F175-V395 HydrophobicContact CZ-CG2 3.57Å
176	M	98.9	Very high	97.2	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.02	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-43	171.7	-71.2	179.1	82.2	0	0	111.5	D153 Q157 A172 R178 L179 G180 Y181 M184 F202 I206	D153-M176 HydrophobicContact CB-CE 3.81Å; Q157-M176 HydrophobicContact CG-CE 4.31Å; Q157-M176 HydrophobicContact CG-SD 3.69Å; A172-M176 WeakPolarHBondContact O-CB 3.4Å; A172-M176 WeakPolarHBondContact O-CG 3.32Å; A172-M176 PolarHBondContact O-N 2.94Å; M176-R178 VanDerWaalsContact C-N 3.3Å; M176-R178 PolarHBondContact O-N 3.35Å; M176-L179 PolarHBondContact O-N 2.81Å; M176-G180 PolarHBondContact O-N 3.35Å; M176-Y181 HydrophobicContact CB-CD2 3.86Å; M176-Y181 HydrophobicContact CB-CE2 4.42Å; M176-Y181 HydrophobicContact CB-CG 4.35Å; M176-Y181 HydrophobicContact CE-CD1 3.96Å; M176-Y181 HydrophobicContact CE-CD2 4.37Å; M176-Y181 HydrophobicContact CE-CE1 4.4Å; M176-Y181 HydrophobicContact CE-CG 3.94Å; M176-Y181 HydrophobicContact CG-CD2 4.02Å; M176-Y181 HydrophobicContact CG-CE2 4.16Å; M176-Y181 HydrophobicContact CG-CG 4.49Å; M176-Y181 WeakPolarHBondContact O-CD2 3.4Å; M176-Y181 PolarHBondContact O-N 2.96Å; M176-Y181 VanDerWaalsContact O-N 3.16Å; M176-M184 HydrophobicContact CE-CB 3.83Å; M176-M184 HydrophobicContact CE-CG 4.38Å; M176-M184 HydrophobicContact CE-SD 3.88Å; M176-M184 HydrophobicContact SD-SD 4.28Å; M176-F202 HydrophobicContact SD-CE2 4.29Å; M176-F202 HydrophobicContact SD-CZ 4.28Å; M176-I206 HydrophobicContact CB-CD1 3.69Å; M176-I206 HydrophobicContact SD-CD1 4.08Å
177	N	98.9	Very high	97.5	Very high	43 Å²	43	23.1 Å²	23.1	23%	0.23	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-42.8	172.5	-72.4	-16.1	0	0	0	111.5	A173 H174 L179 G180 D205 N207	A173-N177 VanDerWaalsContact O-CB 3.27Å; A173-N177 WeakPolarHBondContact O-CB 3.29Å; A173-N177 PolarHBondContact O-N 3.44Å; A173-N177 PolarHBondContact O-ND2 2.91Å; H174-N177 PolarHBondContact O-N 2.96Å; N177-L179 VanDerWaalsContact C-N 3.32Å; N177-L179 PolarHBondContact O-N 3.37Å; N177-G180 PolarHBondContact O-N 2.57Å; N177-D205 PolarHBondContact ND2-O 3.13Å; N177-N207 VanDerWaalsContact OD1-CB 3.28Å; N177-N207 WeakPolarHBondContact OD1-CB 3.5Å; N177-N207 PolarHBondContact OD1-N 2.95Å
178	R	98.5	Very high	96.9	Very high	122 Å²	122	21.7 Å²	21.7	46%	0.46	11%	0.11	S	C	.	.	H	α-helix	trans	-63.3	-37.8	179.9	-169.9	57.3	166.4	142	-2	113	H174 F175 M176 G180 V391 E394	H174-R178 WeakPolarHBondContact O-CB 3.49Å; H174-R178 PolarHBondContact O-N 3.03Å; F175-R178 WeakPolarHBondContact O-CB 3.48Å; F175-R178 PolarHBondContact O-N 2.98Å; M176-R178 VanDerWaalsContact C-N 3.3Å; M176-R178 PolarHBondContact O-N 3.35Å; R178-G180 VanDerWaalsContact C-N 3.28Å; R178-V391 HydrophobicContact CG-CG2 3.85Å; R178-E394 IonicContact CZ-OE1 2.91Å; R178-E394 IonicContact NE-OE1 3.21Å; R178-E394 PolarHBondContact NE-OE1 3.18Å; R178-E394 IonicContact NE-OE2 3.55Å; R178-E394 IonicContact NH2-OE1 2.93Å; R178-E394 PolarHBondContact NH2-OE1 2.9Å; R178-E394 VanDerWaalsContact NH2-OE1 3.11Å
179	L	98.8	Very high	96.8	Very high	8 Å²	8	18 Å²	18	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-80.4	-12.8	176	-86.3	61.4	0	0	0	112.2	V132 R135 A136 I139 R143 L151 F175 M176 N177 Y181	V132-L179 HydrophobicContact CB-CD1 4.36Å; R135-L179 HydrophobicContact CB-CD2 4.13Å; R135-L179 HydrophobicContact CG-CD2 4.17Å; A136-L179 HydrophobicContact CB-CD1 3.92Å; A136-L179 HydrophobicContact CB-CG 4.11Å; I139-L179 HydrophobicContact CD1-CB 4.23Å; I139-L179 HydrophobicContact CD1-CD2 3.77Å; I139-L179 HydrophobicContact CD1-CG 4.08Å; R143-L179 PolarHBondContact NH1-O 3.36Å; L151-L179 HydrophobicContact CD2-CB 4.48Å; F175-L179 WeakPolarHBondContact O-CB 3.37Å; F175-L179 VanDerWaalsContact O-CD1 3.23Å; F175-L179 WeakPolarHBondContact O-CD1 3.45Å; F175-L179 PolarHBondContact O-N 3.22Å; M176-L179 PolarHBondContact O-N 2.81Å; N177-L179 VanDerWaalsContact C-N 3.32Å; N177-L179 PolarHBondContact O-N 3.37Å; L179-Y181 HydrophobicContact CB-CD2 4Å; L179-Y181 HydrophobicContact CB-CE2 3.87Å; L179-Y181 HydrophobicContact CD2-CE2 4.01Å
180	G	98.6	Very high	96.8	Very high	29 Å²	29	18 Å²	18	30%	0.299	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	52.8	178.7	0	0	0	0	0	112	R143 M176 N177 R178	R143-G180 PolarHBondContact NH1-O 3.3Å; R143-G180 PolarHBondContact NH2-O 3.47Å; M176-G180 PolarHBondContact O-N 3.35Å; N177-G180 PolarHBondContact O-N 2.57Å; R178-G180 VanDerWaalsContact C-N 3.28Å
181	Y	98.9	Very high	96.5	Very high	12 Å²	12	17 Å²	17	5%	0.047	9%	0.086	C	C	.	.			trans	-59.8	143.2	170.4	-82	-103.8	0	0	0	110.7	T105 R135 L151 D153 M176 L179 C208	T105-Y181 WeakPolarHBondContact OG1-CE1 3.29Å; T105-Y181 PolarHBondContact OG1-OH 3.06Å; R135-Y181 PolarHBondContact NH1-OH 3.11Å; R135-Y181 VanDerWaalsContact NH1-OH 3.13Å; L151-Y181 HydrophobicContact CD1-CD1 4.31Å; L151-Y181 HydrophobicContact CD1-CE1 3.93Å; L151-Y181 HydrophobicContact CD2-CD1 4.08Å; L151-Y181 HydrophobicContact CD2-CD2 3.68Å; L151-Y181 HydrophobicContact CD2-CE1 4.19Å; L151-Y181 HydrophobicContact CD2-CE2 3.82Å; L151-Y181 HydrophobicContact CD2-CG 3.83Å; L151-Y181 HydrophobicContact CG-CD1 3.66Å; L151-Y181 HydrophobicContact CG-CD2 4.2Å; L151-Y181 HydrophobicContact CG-CE1 3.77Å; L151-Y181 HydrophobicContact CG-CE2 4.33Å; L151-Y181 HydrophobicContact CG-CG 3.89Å; D153-Y181 HydrophobicContact CB-CD1 3.82Å; D153-Y181 HydrophobicContact CB-CE1 3.69Å; M176-Y181 HydrophobicContact CB-CD2 3.86Å; M176-Y181 HydrophobicContact CB-CE2 4.42Å; M176-Y181 HydrophobicContact CB-CG 4.35Å; M176-Y181 HydrophobicContact CE-CD1 3.96Å; M176-Y181 HydrophobicContact CE-CD2 4.37Å; M176-Y181 HydrophobicContact CE-CE1 4.4Å; M176-Y181 HydrophobicContact CE-CG 3.94Å; M176-Y181 HydrophobicContact CG-CD2 4.02Å; M176-Y181 HydrophobicContact CG-CE2 4.16Å; M176-Y181 HydrophobicContact CG-CG 4.49Å; M176-Y181 WeakPolarHBondContact O-CD2 3.4Å; M176-Y181 PolarHBondContact O-N 2.96Å; M176-Y181 VanDerWaalsContact O-N 3.16Å; L179-Y181 HydrophobicContact CB-CD2 4Å; L179-Y181 HydrophobicContact CB-CE2 3.87Å; L179-Y181 HydrophobicContact CD2-CE2 4.01Å; Y181-C208 WeakPolarHBondContact O-CB 3.49Å
182	D	98.9	Very high	95.7	Very high	44 Å²	44	17.5 Å²	17.5	24%	0.235	9%	0.088	C	C	.	.	S	Bend	trans	-90.5	-43.2	-179	-65.6	-73.4	0	0	0	111	R143 L150 L151 S209 F235	R143-D182 IonicContact NH2-OD2 3.71Å; R143-D182 PolarHBondContact NH2-OD2 3.41Å; L150-D182 WeakPolarHBondContact CA-OD2 3.38Å; L150-D182 HydrophobicContact CD2-CB 3.99Å; L151-D182 PolarHBondContact N-OD2 2.75Å; L151-D182 PolarHBondContact O-N 2.98Å; D182-S209 PolarHBondContact O-N 3.25Å; D182-S209 VanDerWaalsContact O-N 3.1Å; D182-F235 HydrophobicContact CB-CE1 4.03Å; D182-F235 HydrophobicContact CB-CZ 4.33Å; D182-F235 WeakPolarHBondContact O-CZ 3.27Å
183	A	98.9	Very high	95.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	158.8	171.1	0	0	0	0	0	112.4	L152 D153 S209 L211 F235 L289	L152-A183 WeakPolarHBondContact CA-O 3.37Å; L152-A183 HydrophobicContact CD2-CB 3.9Å; D153-A183 PolarHBondContact N-O 2.94Å; A183-S209 CarbonylContact C-O 3.58Å; A183-S209 WeakPolarHBondContact CA-O 3.47Å; A183-S209 WeakPolarHBondContact CB-O 3.37Å; A183-L211 HydrophobicContact CB-CD1 3.85Å; A183-L211 HydrophobicContact CB-CG 4.37Å; A183-F235 HydrophobicContact CB-CE2 4.28Å; A183-F235 HydrophobicContact CB-CZ 3.91Å; A183-L289 HydrophobicContact CB-CD2 4.43Å
184	M	98.8	Very high	94.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	164.6	167	69	174.1	-81.6	0	0	110.8	D153 M176 E190 F202 I206 S209 V210 L211	D153-M184 HydrophobicContact CB-CB 3.88Å; D153-M184 CarbonylContact O-C 3.5Å; D153-M184 VanDerWaalsContact O-CA 3.26Å; D153-M184 WeakPolarHBondContact O-CA 3.41Å; M176-M184 HydrophobicContact CE-CB 3.83Å; M176-M184 HydrophobicContact CE-CG 4.38Å; M176-M184 HydrophobicContact CE-SD 3.88Å; M176-M184 HydrophobicContact SD-SD 4.28Å; M184-E190 HydrophobicContact CE-CG 4.43Å; M184-F202 HydrophobicContact CE-CE1 3.55Å; M184-F202 HydrophobicContact CE-CZ 3.52Å; M184-F202 HydrophobicContact SD-CE1 3.61Å; M184-F202 HydrophobicContact SD-CZ 3.31Å; M184-F202 WeakPolarHBondContact SD-CZ 3.47Å; M184-I206 HydrophobicContact SD-CG1 4.34Å; M184-S209 PolarHBondContact N-O 2.85Å; M184-V210 HydrophobicContact CG-CB 4.31Å; M184-V210 HydrophobicContact CG-CG1 4.19Å; M184-V210 HydrophobicContact CG-CG2 3.9Å; M184-V210 CarbonylContact O-C 3.54Å; M184-V210 WeakPolarHBondContact O-CA 3.27Å; M184-V210 HydrophobicContact SD-CG2 4.05Å; M184-L211 PolarHBondContact O-N 2.68Å
185	V	98.9	Very high	94.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	161.3	165	-62.5	0	0	0	0	110.5	D153 A154 G155 L211 L289 H291	D153-V185 PolarHBondContact O-N 3.35Å; A154-V185 VanDerWaalsContact C-CG2 3.46Å; G155-V185 WeakPolarHBondContact CA-O 3.37Å; V185-L211 WeakPolarHBondContact CA-O 3.23Å; V185-L211 WeakPolarHBondContact CB-O 3.38Å; V185-L211 HydrophobicContact CG1-CB 4.13Å; V185-L211 WeakPolarHBondContact CG1-O 3.32Å; V185-L289 HydrophobicContact CG1-CB 4.12Å; V185-L289 HydrophobicContact CG1-CD2 3.92Å; V185-L289 HydrophobicContact CG1-CG 3.71Å; V185-L289 WeakPolarHBondContact CG1-O 3.35Å; V185-L289 HydrophobicContact CG2-CG 4.37Å; V185-H291 HydrophobicContact CG2-CB 4.37Å
186	F	98.1	Very high	94	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.			trans	-73.7	129	166.1	-53	-64.7	0	0	0	109.6	E190 F191 L198 L203 V210 I215 F225 F229 T248	F186-E190 HydrophobicContact CB-CB 4.43Å; F186-E190 HydrophobicContact CD1-CB 4.11Å; F186-E190 HydrophobicContact CD1-CG 4.3Å; F186-F191 HydrophobicContact CB-CE2 3.77Å; F186-F191 HydrophobicContact CB-CZ 4.23Å; F186-F191 HydrophobicContact CD2-CZ 4.25Å; F186-F191 HydrophobicContact CG-CE2 4.15Å; F186-F191 HydrophobicContact CG-CZ 4.14Å; F186-L198 HydrophobicContact CD1-CD1 4.42Å; F186-L198 HydrophobicContact CD1-CD2 3.96Å; F186-L198 HydrophobicContact CE1-CD1 4.15Å; F186-L198 HydrophobicContact CE1-CD2 3.74Å; F186-L198 HydrophobicContact CE1-CG 4.26Å; F186-L198 HydrophobicContact CZ-CD2 4.4Å; F186-L203 HydrophobicContact CE1-CD1 4.33Å; F186-L203 HydrophobicContact CE1-CD2 3.98Å; F186-L203 HydrophobicContact CZ-CD1 4.27Å; F186-L203 HydrophobicContact CZ-CD2 4.16Å; F186-V210 HydrophobicContact CD1-CG1 4.02Å; F186-V210 HydrophobicContact CD2-CG1 4.37Å; F186-V210 HydrophobicContact CE1-CG1 3.4Å; F186-V210 HydrophobicContact CE2-CG1 3.81Å; F186-V210 HydrophobicContact CG-CG1 4.47Å; F186-V210 HydrophobicContact CZ-CG1 3.29Å; F186-I215 HydrophobicContact CD2-CD1 3.83Å; F186-F225 HydrophobicContact CE2-CZ 4.06Å; F186-F225 HydrophobicContact CZ-CE2 4.19Å; F186-F225 HydrophobicContact CZ-CZ 4.03Å; F186-F229 HydrophobicContact CE2-CB 3.76Å; F186-F229 AromaticContact CE2-CD1 3.83Å; F186-F229 HydrophobicContact CE2-CD1 3.83Å; F186-F229 HydrophobicContact CE2-CD2 4.2Å; F186-F229 HydrophobicContact CE2-CE1 4.48Å; F186-F229 AromaticContact CE2-CG 3.67Å; F186-F229 HydrophobicContact CE2-CG 3.67Å; F186-F229 HydrophobicContact CZ-CB 3.98Å; F186-F229 HydrophobicContact CZ-CD1 4.21Å; F186-F229 HydrophobicContact CZ-CG 4.23Å; F186-T248 HydrophobicContact CB-CG2 4.25Å; F186-T248 WeakPolarHBondContact O-CB 3.22Å; F186-T248 WeakPolarHBondContact O-CG2 3.42Å; F186-T248 PolarHBondContact O-OG1 2.88Å
187	G	92.3	Very high	93.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.			trans	-84.3	-177.8	152.4	0	0	0	0	0	111.3	D156 H189 E190 H291	D156-G187 VanDerWaalsContact OD1-CA 3.3Å; D156-G187 WeakPolarHBondContact OD1-CA 3.46Å; G187-H189 VanDerWaalsContact C-N 3.33Å; G187-E190 WeakPolarHBondContact CA-OE2 3.41Å; G187-E190 PolarHBondContact N-OE2 2.89Å; G187-H291 WeakPolarHBondContact CA-CD2 3.45Å
188	N	81.1	Confident	93.3	Very high	4 Å²	4	23 Å²	23	2%	0.021	13%	0.127	C	C	.	.	S	Bend	trans	-70.8	-33.9	179.5	53.2	-93.9	0	0	0	111.3	D156 E190 F191 T252 L255 S256 H291 H314	D156-N188 PolarHBondContact OD1-N 2.82Å; N188-E190 VanDerWaalsContact C-N 3.26Å; N188-E190 PolarHBondContact O-N 2.83Å; N188-F191 PolarHBondContact O-N 2.88Å; N188-T252 HydrophobicContact CB-CG2 4.04Å; N188-L255 HydrophobicContact CB-CB 4.23Å; N188-L255 HydrophobicContact CB-CD1 4.35Å; N188-S256 WeakPolarHBondContact O-CB 3.25Å; N188-S256 PolarHBondContact O-OG 3.02Å; N188-S256 VanDerWaalsContact O-OG 3.1Å; N188-H291 PolarHBondContact OD1-NE2 2.83Å; N188-H314 PolarHBondContact OD1-CE1 2.72Å; N188-H314 PolarHBondContact OD1-ND1 3.39Å
189	H	89.8	Confident	93.3	Very high	13 Å²	13	19.6 Å²	19.6	6%	0.06	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-75.2	-13.7	-175.2	-79.4	-65	0	0	0	113.8	H109 D156 F158 Q159 G187 F191 D192 F489	H109-H189 AromaticContact CE1-CD2 3.5Å; D156-H189 WeakPolarHBondContact OD1-CB 3.45Å; D156-H189 IonicContact OD1-CD2 3.21Å; D156-H189 PolarHBondContact OD1-N 3.06Å; D156-H189 IonicContact OD2-CD2 3.53Å; D156-H189 PolarHBondContact OD2-CD2 3.09Å; D156-H189 VanDerWaalsContact OD2-CD2 3.28Å; F158-H189 HydrophobicContact CB-CB 4.35Å; F158-H189 VanDerWaalsContact CB-O 3.3Å; F158-H189 WeakPolarHBondContact CB-O 3.34Å; Q159-H189 HydrophobicContact CB-CB 3.96Å; G187-H189 VanDerWaalsContact C-N 3.33Å; H189-F191 PolarHBondContact O-N 2.59Å; H189-D192 WeakPolarHBondContact CA-OD1 3.46Å; H189-D192 IonicContact CE1-OD1 3.32Å; H189-D192 IonicContact CE1-OD2 3.04Å; H189-D192 IonicContact CG-OD1 2.59Å; H189-D192 IonicContact CG-OD2 2.69Å; H189-D192 VanDerWaalsContact ND1-CG 3.25Å; H189-D192 IonicContact ND1-OD1 3.23Å; H189-D192 PolarHBondContact ND1-OD1 3Å; H189-D192 IonicContact ND1-OD2 3.97Å; H189-D192 PolarHBondContact ND1-OD2 3.38Å; H189-D192 WeakPolarHBondContact O-CB 3.39Å; H189-D192 PolarHBondContact O-N 3.35Å; H189-D192 VanDerWaalsContact O-N 3.15Å; H189-F489 AromaticContact CE1-CE1 3.74Å; H189-F489 AromaticContact CE1-CZ 4Å
190	E	94.3	Very high	93.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-60.1	-23.7	168.8	-84	66.8	-126.4	0	0	112.5	D156 Q157 F158 M184 F186 G187 N188 L198	D156-E190 WeakPolarHBondContact CA-OE1 3.46Å; D156-E190 PolarHBondContact N-OE1 2.85Å; D156-E190 PolarHBondContact N-OE2 3.36Å; Q157-E190 PolarHBondContact N-OE1 2.93Å; F158-E190 HydrophobicContact CD1-CG 4.3Å; F158-E190 VanDerWaalsContact CD2-CA 3.46Å; F158-E190 HydrophobicContact CD2-CB 4.37Å; F158-E190 HydrophobicContact CD2-CG 4.34Å; F158-E190 WeakPolarHBondContact CE2-O 3.42Å; F158-E190 HydrophobicContact CG-CG 4.19Å; F158-E190 PolarHBondContact N-OE1 2.91Å; M184-E190 HydrophobicContact CE-CG 4.43Å; F186-E190 HydrophobicContact CB-CB 4.43Å; F186-E190 HydrophobicContact CD1-CB 4.11Å; F186-E190 HydrophobicContact CD1-CG 4.3Å; G187-E190 WeakPolarHBondContact CA-OE2 3.41Å; G187-E190 PolarHBondContact N-OE2 2.89Å; N188-E190 VanDerWaalsContact C-N 3.26Å; N188-E190 PolarHBondContact O-N 2.83Å; E190-L198 HydrophobicContact CB-CD1 3.93Å; E190-L198 HydrophobicContact CB-CD2 4.28Å; E190-L198 HydrophobicContact CG-CD1 4.28Å
191	F	90.3	Very high	93	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-93.8	7.7	179.1	-62.1	-85.3	0	0	0	114.2	F186 N188 H189 N193 G194 L198 I215 F225 T252 S256 Q257 P258 L262 F264	F186-F191 HydrophobicContact CB-CE2 3.77Å; F186-F191 HydrophobicContact CB-CZ 4.23Å; F186-F191 HydrophobicContact CD2-CZ 4.25Å; F186-F191 HydrophobicContact CG-CE2 4.15Å; F186-F191 HydrophobicContact CG-CZ 4.14Å; N188-F191 PolarHBondContact O-N 2.88Å; H189-F191 PolarHBondContact O-N 2.59Å; F191-N193 VanDerWaalsContact C-N 3.27Å; F191-N193 PolarHBondContact O-N 3.14Å; F191-G194 WeakPolarHBondContact O-CA 3.33Å; F191-G194 PolarHBondContact O-N 2.84Å; F191-L198 HydrophobicContact CD1-CD2 3.92Å; F191-L198 HydrophobicContact CE1-CD2 3.67Å; F191-L198 HydrophobicContact CG-CD2 4.46Å; F191-L198 HydrophobicContact CZ-CD2 3.99Å; F191-I215 HydrophobicContact CE2-CD1 4.23Å; F191-I215 HydrophobicContact CZ-CD1 3.82Å; F191-F225 HydrophobicContact CE1-CE1 4.23Å; F191-F225 HydrophobicContact CE1-CE2 4.35Å; F191-F225 AromaticContact CE1-CZ 3.63Å; F191-F225 HydrophobicContact CE1-CZ 3.63Å; F191-F225 AromaticContact CZ-CZ 3.93Å; F191-F225 HydrophobicContact CZ-CZ 3.93Å; F191-T252 HydrophobicContact CB-CG2 4.42Å; F191-T252 HydrophobicContact CD2-CG2 3.7Å; F191-T252 HydrophobicContact CE2-CG2 4.31Å; F191-T252 HydrophobicContact CG-CG2 4.24Å; F191-S256 PolarHBondContact O-OG 2.86Å; F191-Q257 CarbonylContact O-C 3.57Å; F191-Q257 PolarHBondContact O-N 2.75Å; F191-P258 HydrophobicContact CB-CB 4.2Å; F191-P258 HydrophobicContact CD1-CB 3.84Å; F191-P258 HydrophobicContact CE1-CB 4.48Å; F191-P258 HydrophobicContact CG-CB 4.05Å; F191-L262 HydrophobicContact CD1-CD1 4.23Å; F191-L262 HydrophobicContact CE1-CD1 3.66Å; F191-L262 HydrophobicContact CZ-CD1 4.47Å; F191-F264 HydrophobicContact CD2-CZ 4.41Å; F191-F264 HydrophobicContact CE1-CZ 4.38Å; F191-F264 HydrophobicContact CE2-CE1 4.09Å; F191-F264 HydrophobicContact CE2-CZ 4.05Å; F191-F264 HydrophobicContact CZ-CE1 4.34Å; F191-F264 HydrophobicContact CZ-CZ 4.05Å
192	D	81.2	Confident	93	Very high	10 Å²	10	22.6 Å²	22.6	5%	0.053	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-33.4	-173.2	-87	12.4	0	0	0	113	Q159 F164 H189 G194 S256 Q257	Q159-D192 WeakPolarHBondContact CG-OD2 3.48Å; Q159-D192 PolarHBondContact NE2-OD2 3.26Å; F164-D192 HydrophobicContact CE1-CB 4.35Å; H189-D192 WeakPolarHBondContact CA-OD1 3.46Å; H189-D192 IonicContact CE1-OD1 3.32Å; H189-D192 IonicContact CE1-OD2 3.04Å; H189-D192 IonicContact CG-OD1 2.59Å; H189-D192 IonicContact CG-OD2 2.69Å; H189-D192 VanDerWaalsContact ND1-CG 3.25Å; H189-D192 IonicContact ND1-OD1 3.23Å; H189-D192 PolarHBondContact ND1-OD1 3Å; H189-D192 IonicContact ND1-OD2 3.97Å; H189-D192 PolarHBondContact ND1-OD2 3.38Å; H189-D192 WeakPolarHBondContact O-CB 3.39Å; H189-D192 PolarHBondContact O-N 3.35Å; H189-D192 VanDerWaalsContact O-N 3.15Å; D192-G194 VanDerWaalsContact C-N 3.32Å; D192-S256 VanDerWaalsContact CA-OG 3.22Å; D192-S256 WeakPolarHBondContact CA-OG 3.4Å; D192-S256 PolarHBondContact N-OG 2.84Å; D192-S256 PolarHBondContact OD1-OG 2.79Å; D192-Q257 PolarHBondContact O-NE2 3.21Å
193	N	85.1	Confident	92.9	Very high	59 Å²	59	21.5 Å²	21.5	32%	0.316	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	17.7	175.2	-64.7	-31	0	0	0	112.4	F164 F191 G197	F164-N193 WeakPolarHBondContact CZ-ND2 3.47Å; F191-N193 VanDerWaalsContact C-N 3.27Å; F191-N193 PolarHBondContact O-N 3.14Å; N193-G197 PolarHBondContact O-N 3.42Å
194	G	88.1	Confident	92.8	Very high	14 Å²	14	28.4 Å²	28.4	14%	0.144	15%	0.145	C	C	.	.	H	α-helix	trans	69.4	178.1	-173.3	0	0	0	0	0	114	F191 D192 D196 G197 L198 Q257	F191-G194 WeakPolarHBondContact O-CA 3.33Å; F191-G194 PolarHBondContact O-N 2.84Å; D192-G194 VanDerWaalsContact C-N 3.32Å; G194-D196 VanDerWaalsContact C-N 3.29Å; G194-D196 PolarHBondContact O-N 2.99Å; G194-G197 PolarHBondContact O-N 2.81Å; G194-L198 PolarHBondContact O-N 3.49Å; G194-Q257 WeakPolarHBondContact CA-O 3.2Å
195	V	93.5	Very high	92.8	Very high	15 Å²	15	31.4 Å²	31.4	9%	0.091	16%	0.161	C	C	.	.	H	α-helix	trans	-60	-39.9	-179.7	173.8	0	0	0	0	111.4	G197 L198 M199 L221 F225 P258 L262	V195-G197 PolarHBondContact O-N 2.79Å; V195-L198 PolarHBondContact O-N 2.62Å; V195-M199 HydrophobicContact CG1-CG 4.27Å; V195-M199 VanDerWaalsContact O-CG 3.31Å; V195-M199 WeakPolarHBondContact O-CG 3.41Å; V195-M199 PolarHBondContact O-N 3.26Å; V195-L221 HydrophobicContact CG1-CD1 4.24Å; V195-L221 HydrophobicContact CG1-CD2 4.27Å; V195-L221 HydrophobicContact CG2-CD1 4.04Å; V195-F225 HydrophobicContact CG1-CB 3.8Å; V195-F225 HydrophobicContact CG1-CD1 4.5Å; V195-F225 HydrophobicContact CG1-CD2 3.65Å; V195-F225 HydrophobicContact CG1-CE2 4.38Å; V195-F225 HydrophobicContact CG1-CG 3.72Å; V195-P258 WeakPolarHBondContact CG2-O 3.4Å; V195-L262 HydrophobicContact CG2-CD1 3.67Å; V195-L262 HydrophobicContact CG2-CG 4.37Å
196	D	92.5	Very high	92.8	Very high	136 Å²	136	32.3 Å²	32.3	73%	0.727	17%	0.166	S	C	*	.	H	α-helix	trans	-64.3	-42.6	179.9	-65.7	-20.2	0	0	0	112.1	G194 L198 M199 E200	G194-D196 VanDerWaalsContact C-N 3.29Å; G194-D196 PolarHBondContact O-N 2.99Å; D196-L198 VanDerWaalsContact C-N 3.28Å; D196-L198 PolarHBondContact O-N 3.3Å; D196-M199 PolarHBondContact O-N 3.2Å; D196-E200 PolarHBondContact O-N 2.95Å
197	G	89.7	Confident	92.8	Very high	16 Å²	16	38.9 Å²	38.9	17%	0.165	20%	0.201	C	C	.	.	H	α-helix	trans	-73.1	-19	176.8	0	0	0	0	0	114.1	N193 G194 V195 E200	N193-G197 PolarHBondContact O-N 3.42Å; G194-G197 PolarHBondContact O-N 2.81Å; V195-G197 PolarHBondContact O-N 2.79Å; G197-E200 CarbonylContact C-O 3.58Å; G197-E200 VanDerWaalsContact O-O 3.1Å
198	L	94.1	Very high	93.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-81.4	-39.5	170.3	179.1	54.7	0	0	0	111.4	F158 F186 E190 F191 G194 V195 D196 E200 F202 L203 F225	F158-L198 HydrophobicContact CE2-CD1 3.94Å; F158-L198 HydrophobicContact CZ-CD1 3.97Å; F186-L198 HydrophobicContact CD1-CD1 4.42Å; F186-L198 HydrophobicContact CD1-CD2 3.96Å; F186-L198 HydrophobicContact CE1-CD1 4.15Å; F186-L198 HydrophobicContact CE1-CD2 3.74Å; F186-L198 HydrophobicContact CE1-CG 4.26Å; F186-L198 HydrophobicContact CZ-CD2 4.4Å; E190-L198 HydrophobicContact CB-CD1 3.93Å; E190-L198 HydrophobicContact CB-CD2 4.28Å; E190-L198 HydrophobicContact CG-CD1 4.28Å; F191-L198 HydrophobicContact CD1-CD2 3.92Å; F191-L198 HydrophobicContact CE1-CD2 3.67Å; F191-L198 HydrophobicContact CG-CD2 4.46Å; F191-L198 HydrophobicContact CZ-CD2 3.99Å; G194-L198 PolarHBondContact O-N 3.49Å; V195-L198 PolarHBondContact O-N 2.62Å; D196-L198 VanDerWaalsContact C-N 3.28Å; D196-L198 PolarHBondContact O-N 3.3Å; L198-E200 VanDerWaalsContact C-N 3.31Å; L198-E200 PolarHBondContact O-N 3.01Å; L198-F202 HydrophobicContact CD1-CD1 3.77Å; L198-F202 HydrophobicContact CD1-CE1 4.43Å; L198-L203 HydrophobicContact CD1-CD1 4.44Å; L198-L203 HydrophobicContact CD1-CG 4.28Å; L198-L203 HydrophobicContact CD2-CD1 4.45Å; L198-L203 HydrophobicContact CG-CD1 3.84Å; L198-L203 HydrophobicContact CG-CG 4.19Å; L198-L203 WeakPolarHBondContact O-CG 3.2Å; L198-L203 PolarHBondContact O-N 3.49Å; L198-F225 HydrophobicContact CD2-CE2 3.72Å; L198-F225 HydrophobicContact CD2-CZ 4.1Å; L198-F225 HydrophobicContact CG-CE2 4.32Å
199	M	97.3	Very high	93.9	Very high	51 Å²	51	40.8 Å²	40.8	25%	0.251	22%	0.215	S	C	.	.	I	π-helix	trans	-59.8	-44.7	174.7	-75.4	-61.8	-60.2	0	0	111	V195 D196 L203 R204 F225 A228	V195-M199 HydrophobicContact CG1-CG 4.27Å; V195-M199 VanDerWaalsContact O-CG 3.31Å; V195-M199 WeakPolarHBondContact O-CG 3.41Å; V195-M199 PolarHBondContact O-N 3.26Å; D196-M199 PolarHBondContact O-N 3.2Å; M199-L203 PolarHBondContact O-N 3.02Å; M199-L203 HydrophobicContact SD-CB 4.44Å; M199-L203 HydrophobicContact SD-CD1 3.7Å; M199-R204 PolarHBondContact O-N 3.11Å; M199-R204 VanDerWaalsContact O-N 3.09Å; M199-F225 HydrophobicContact CG-CD2 4.27Å; M199-F225 HydrophobicContact SD-CB 4.33Å; M199-F225 HydrophobicContact SD-CD2 3.78Å; M199-A228 HydrophobicContact CE-CB 4.34Å; M199-A228 HydrophobicContact SD-CB 3.97Å
200	E	95.3	Very high	94.4	Very high	89 Å²	89	40.7 Å²	40.7	42%	0.416	22%	0.215	S	C	.	.	I	π-helix	trans	-133.4	122.8	-174.6	-66.4	-66.3	177.9	0	0	111.5	D196 G197 L198 R204	D196-E200 PolarHBondContact O-N 2.95Å; G197-E200 CarbonylContact C-O 3.58Å; G197-E200 VanDerWaalsContact O-O 3.1Å; L198-E200 VanDerWaalsContact C-N 3.31Å; L198-E200 PolarHBondContact O-N 3.01Å; E200-R204 WeakPolarHBondContact OE1-CB 3.23Å; E200-R204 WeakPolarHBondContact OE1-CD 3.44Å; E200-R204 WeakPolarHBondContact OE2-CB 3.36Å; E200-R204 WeakPolarHBondContact OE2-CD 3.5Å; E200-R204 IonicContact OE2-CZ 3.65Å; E200-R204 IonicContact OE2-NE 3.44Å; E200-R204 PolarHBondContact OE2-NE 3.1Å; E200-R204 IonicContact OE2-NH1 2.76Å; E200-R204 PolarHBondContact OE2-NH1 3.18Å; E200-R204 IonicContact OE2-NH2 3.78Å
201	P	95.8	Very high	94.6	Very high	23 Å²	23	40.7 Å²	40.7	15%	0.149	22%	0.215	C	C	.	.	I	π-helix	cis	-89.8	-10	9.6	34.1	-35.3	0	0	0	115.2	K168 A170 D205	K168-P201 WeakPolarHBondContact O-CD 3.27Å; A170-P201 HydrophobicContact CB-CB 4.11Å; A170-P201 HydrophobicContact CB-CG 3.62Å; P201-D205 WeakPolarHBondContact O-CB 3.49Å; P201-D205 PolarHBondContact O-N 2.68Å
202	F	98.3	Very high	94.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-70.1	-58.7	-161.1	179.9	-103	0	0	0	114.9	F158 G169 A172 A173 M176 M184 L198 R204 D205 I206	F158-F202 HydrophobicContact CE1-CB 4.09Å; F158-F202 HydrophobicContact CE1-CD1 4.16Å; F158-F202 AromaticContact CE1-CD2 3.57Å; F158-F202 HydrophobicContact CE1-CD2 3.57Å; F158-F202 HydrophobicContact CE1-CE1 4.47Å; F158-F202 AromaticContact CE1-CE2 3.93Å; F158-F202 HydrophobicContact CE1-CE2 3.93Å; F158-F202 AromaticContact CE1-CG 3.68Å; F158-F202 HydrophobicContact CE1-CG 3.68Å; F158-F202 HydrophobicContact CE1-CZ 4.34Å; F158-F202 HydrophobicContact CZ-CB 3.53Å; F158-F202 AromaticContact CZ-CD1 3.94Å; F158-F202 HydrophobicContact CZ-CD1 3.94Å; F158-F202 AromaticContact CZ-CD2 3.92Å; F158-F202 HydrophobicContact CZ-CD2 3.92Å; F158-F202 AromaticContact CZ-CG 3.52Å; F158-F202 HydrophobicContact CZ-CG 3.52Å; G169-F202 WeakPolarHBondContact O-CD2 3.39Å; A172-F202 HydrophobicContact CB-CD2 4.12Å; A172-F202 HydrophobicContact CB-CE2 3.78Å; A173-F202 HydrophobicContact CB-CD2 3.66Å; A173-F202 HydrophobicContact CB-CE2 4.07Å; M176-F202 HydrophobicContact SD-CE2 4.29Å; M176-F202 HydrophobicContact SD-CZ 4.28Å; M184-F202 HydrophobicContact CE-CE1 3.55Å; M184-F202 HydrophobicContact CE-CZ 3.52Å; M184-F202 HydrophobicContact SD-CE1 3.61Å; M184-F202 HydrophobicContact SD-CZ 3.31Å; M184-F202 WeakPolarHBondContact SD-CZ 3.47Å; L198-F202 HydrophobicContact CD1-CD1 3.77Å; L198-F202 HydrophobicContact CD1-CE1 4.43Å; F202-R204 PolarHBondContact O-N 2.94Å; F202-D205 PolarHBondContact O-N 3.47Å; F202-D205 VanDerWaalsContact O-N 3.07Å; F202-I206 HydrophobicContact CE1-CG2 4.45Å; F202-I206 HydrophobicContact CE2-CD1 4.27Å; F202-I206 HydrophobicContact CZ-CB 4.44Å; F202-I206 HydrophobicContact CZ-CD1 4.3Å; F202-I206 HydrophobicContact CZ-CG1 4.3Å; F202-I206 WeakPolarHBondContact O-CB 3.16Å; F202-I206 WeakPolarHBondContact O-CG2 3.29Å; F202-I206 PolarHBondContact O-N 3.38Å
203	L	98.1	Very high	95.8	Very high	22 Å²	22	41.2 Å²	41.2	12%	0.115	22%	0.221	C	C	.	.	I	π-helix	trans	-67.3	-24.2	-177.9	-72	174.9	0	0	0	112.9	F186 L198 M199 I206 V210 F225 A228	F186-L203 HydrophobicContact CE1-CD1 4.33Å; F186-L203 HydrophobicContact CE1-CD2 3.98Å; F186-L203 HydrophobicContact CZ-CD1 4.27Å; F186-L203 HydrophobicContact CZ-CD2 4.16Å; L198-L203 HydrophobicContact CD1-CD1 4.44Å; L198-L203 HydrophobicContact CD1-CG 4.28Å; L198-L203 HydrophobicContact CD2-CD1 4.45Å; L198-L203 HydrophobicContact CG-CD1 3.84Å; L198-L203 HydrophobicContact CG-CG 4.19Å; L198-L203 WeakPolarHBondContact O-CG 3.2Å; L198-L203 PolarHBondContact O-N 3.49Å; M199-L203 PolarHBondContact O-N 3.02Å; M199-L203 HydrophobicContact SD-CB 4.44Å; M199-L203 HydrophobicContact SD-CD1 3.7Å; L203-I206 HydrophobicContact CD2-CG2 4.31Å; L203-V210 HydrophobicContact CD2-CB 4.31Å; L203-V210 HydrophobicContact CD2-CG1 4.17Å; L203-V210 HydrophobicContact CD2-CG2 3.85Å; L203-F225 HydrophobicContact CD1-CD2 4.09Å; L203-F225 HydrophobicContact CD1-CE2 3.8Å; L203-A228 HydrophobicContact CD1-CB 3.92Å
204	R	97.5	Very high	96.4	Very high	144 Å²	144	38.4 Å²	38.4	54%	0.543	21%	0.206	S	C	.	.	H	α-helix	trans	-63.7	-40.7	170.2	-173.4	-166.1	60.8	-138.4	-3.6	112.2	M199 E200 F202	M199-R204 PolarHBondContact O-N 3.11Å; M199-R204 VanDerWaalsContact O-N 3.09Å; E200-R204 WeakPolarHBondContact OE1-CB 3.23Å; E200-R204 WeakPolarHBondContact OE1-CD 3.44Å; E200-R204 WeakPolarHBondContact OE2-CB 3.36Å; E200-R204 WeakPolarHBondContact OE2-CD 3.5Å; E200-R204 IonicContact OE2-CZ 3.65Å; E200-R204 IonicContact OE2-NE 3.44Å; E200-R204 PolarHBondContact OE2-NE 3.1Å; E200-R204 IonicContact OE2-NH1 2.76Å; E200-R204 PolarHBondContact OE2-NH1 3.18Å; E200-R204 IonicContact OE2-NH2 3.78Å; F202-R204 PolarHBondContact O-N 2.94Å
205	D	98.3	Very high	96.9	Very high	63 Å²	63	38.2 Å²	38.2	34%	0.337	20%	0.201	S	C	.	.	H	α-helix	trans	-102.7	-20	-166.8	-65	-18.1	0	0	0	113.8	A173 N177 P201 F202	A173-D205 HydrophobicContact CB-CB 4.01Å; N177-D205 PolarHBondContact ND2-O 3.13Å; P201-D205 WeakPolarHBondContact O-CB 3.49Å; P201-D205 PolarHBondContact O-N 2.68Å; F202-D205 PolarHBondContact O-N 3.47Å; F202-D205 VanDerWaalsContact O-N 3.07Å
206	I	98.4	Very high	97.1	Very high	19 Å²	19	44.1 Å²	44.1	10%	0.097	22%	0.222	C	C	.	.			trans	-69.8	134.1	-179.8	-167.1	71.4	0	0	0	111.9	A173 M176 M184 F202 L203 C208 V210	A173-I206 HydrophobicContact CB-CB 4.34Å; A173-I206 HydrophobicContact CB-CD1 4.48Å; M176-I206 HydrophobicContact CB-CD1 3.69Å; M176-I206 HydrophobicContact SD-CD1 4.08Å; M184-I206 HydrophobicContact SD-CG1 4.34Å; F202-I206 HydrophobicContact CE1-CG2 4.45Å; F202-I206 HydrophobicContact CE2-CD1 4.27Å; F202-I206 HydrophobicContact CZ-CB 4.44Å; F202-I206 HydrophobicContact CZ-CD1 4.3Å; F202-I206 HydrophobicContact CZ-CG1 4.3Å; F202-I206 WeakPolarHBondContact O-CB 3.16Å; F202-I206 WeakPolarHBondContact O-CG2 3.29Å; F202-I206 PolarHBondContact O-N 3.38Å; L203-I206 HydrophobicContact CD2-CG2 4.31Å; I206-C208 VanDerWaalsContact CG1-SG 3.56Å; I206-V210 HydrophobicContact CG2-CG2 3.86Å
207	N	98.1	Very high	97.3	Very high	139 Å²	139	39 Å²	39	74%	0.743	20%	0.196	S	C	*	.			trans	-98.9	-21.6	-178.2	-69.3	-27.4	0	0	0	113.7	N177	N177-N207 VanDerWaalsContact OD1-CB 3.28Å; N177-N207 WeakPolarHBondContact OD1-CB 3.5Å; N177-N207 PolarHBondContact OD1-N 2.95Å
208	C	98.5	Very high	97.6	Very high	14 Å²	14	41 Å²	41	10%	0.095	20%	0.203	C	C	.	.	S	Bend	trans	-73.9	163.3	179.5	75.7	0	0	0	0	111	Y181 I206 V210	Y181-C208 WeakPolarHBondContact O-CB 3.49Å; I206-C208 VanDerWaalsContact CG1-SG 3.56Å; C208-V210 PolarHBondContact O-N 2.54Å
209	S	98.6	Very high	97.8	Very high	29 Å²	29	46.3 Å²	46.3	20%	0.203	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	123.9	176.8	-60	0	0	0	0	110.3	D182 A183 M184	D182-S209 PolarHBondContact O-N 3.25Å; D182-S209 VanDerWaalsContact O-N 3.1Å; A183-S209 CarbonylContact C-O 3.58Å; A183-S209 WeakPolarHBondContact CA-O 3.47Å; A183-S209 WeakPolarHBondContact CB-O 3.37Å; M184-S209 PolarHBondContact N-O 2.85Å
210	V	98.8	Very high	97.7	Very high	11 Å²	11	47.7 Å²	47.7	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.6	174.5	-172.5	0	0	0	0	109.6	M184 F186 L203 I206 C208 F229 Q230	M184-V210 HydrophobicContact CG-CB 4.31Å; M184-V210 HydrophobicContact CG-CG1 4.19Å; M184-V210 HydrophobicContact CG-CG2 3.9Å; M184-V210 CarbonylContact O-C 3.54Å; M184-V210 WeakPolarHBondContact O-CA 3.27Å; M184-V210 HydrophobicContact SD-CG2 4.05Å; F186-V210 HydrophobicContact CD1-CG1 4.02Å; F186-V210 HydrophobicContact CD2-CG1 4.37Å; F186-V210 HydrophobicContact CE1-CG1 3.4Å; F186-V210 HydrophobicContact CE2-CG1 3.81Å; F186-V210 HydrophobicContact CG-CG1 4.47Å; F186-V210 HydrophobicContact CZ-CG1 3.29Å; L203-V210 HydrophobicContact CD2-CB 4.31Å; L203-V210 HydrophobicContact CD2-CG1 4.17Å; L203-V210 HydrophobicContact CD2-CG2 3.85Å; I206-V210 HydrophobicContact CG2-CG2 3.86Å; C208-V210 PolarHBondContact O-N 2.54Å; V210-F229 HydrophobicContact CB-CB 4.25Å; V210-F229 HydrophobicContact CG1-CB 4.14Å; V210-F229 WeakPolarHBondContact O-CA 3.08Å; V210-F229 WeakPolarHBondContact O-CB 3.35Å; V210-Q230 PolarHBondContact O-N 3.01Å
211	L	98.8	Very high	97.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.3	-167.6	-52.9	178.8	0	0	0	113.3	A183 M184 V185 Q230 K233 V244	A183-L211 HydrophobicContact CB-CD1 3.85Å; A183-L211 HydrophobicContact CB-CG 4.37Å; M184-L211 PolarHBondContact O-N 2.68Å; V185-L211 WeakPolarHBondContact CA-O 3.23Å; V185-L211 WeakPolarHBondContact CB-O 3.38Å; V185-L211 HydrophobicContact CG1-CB 4.13Å; V185-L211 WeakPolarHBondContact CG1-O 3.32Å; L211-Q230 CarbonylContact C-O 3.43Å; L211-Q230 WeakPolarHBondContact CA-O 3.22Å; L211-Q230 HydrophobicContact CD2-CB 4.27Å; L211-K233 HydrophobicContact CD1-CB 4.32Å; L211-K233 HydrophobicContact CD2-CB 3.95Å; L211-V244 HydrophobicContact CD1-CB 3.98Å; L211-V244 HydrophobicContact CD1-CG1 3.67Å
212	S	98.1	Very high	97.8	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.014	25%	0.249	C	C	.	.			trans	-165.1	121.8	164.9	-169.6	0	0	0	0	110.5	N214 I215 F229 Q230 P231 T248	S212-N214 PolarHBondContact OG-OD1 3.45Å; S212-I215 WeakPolarHBondContact OG-CD1 3.26Å; S212-I215 WeakPolarHBondContact OG-CG1 3.46Å; S212-F229 WeakPolarHBondContact O-CE2 3.26Å; S212-Q230 PolarHBondContact N-O 3.07Å; S212-P231 WeakPolarHBondContact O-CA 3.09Å; S212-T248 PolarHBondContact OG-OG1 3.5Å
213	A	98.6	Very high	97.6	Very high	20 Å²	20	50.5 Å²	50.5	17%	0.165	28%	0.283	C	S	.	.	S	Bend	trans	-90	-20.5	-179	0	0	0	0	0	113.4	P231 V245 G246 L271 V274	A213-P231 HydrophobicContact CB-CB 3.95Å; A213-V245 HydrophobicContact CB-CG2 3.96Å; A213-G246 WeakPolarHBondContact CB-O 3.14Å; A213-G246 PolarHBondContact N-O 2.96Å; A213-L271 HydrophobicContact CB-CD1 4.12Å; A213-V274 HydrophobicContact CB-CG2 4.08Å
214	N	98.4	Very high	97.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-109	4.6	-171.3	74.6	-51.9	0	0	0	114	S212 Y247 T248 L265 A270	S212-N214 PolarHBondContact OG-OD1 3.45Å; N214-Y247 WeakPolarHBondContact OD1-CA 3.36Å; N214-T248 PolarHBondContact ND2-O 2.97Å; N214-T248 PolarHBondContact OD1-N 3.12Å; N214-T248 PolarHBondContact OD1-O 2.97Å; N214-L265 HydrophobicContact CB-CB 4.22Å; N214-L265 PolarHBondContact ND2-O 2.7Å; N214-L265 WeakPolarHBondContact O-CB 3.4Å; N214-L265 PolarHBondContact O-N 2.93Å; N214-A270 HydrophobicContact CB-CB 3.41Å; N214-A270 VanDerWaalsContact CB-CB 3.41Å
215	I	98	Very high	97.5	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.051	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.9	168.8	-62.4	174.1	0	0	0	109.2	F186 F191 S212 F225 F229 T248 L262 F264	F186-I215 HydrophobicContact CD2-CD1 3.83Å; F191-I215 HydrophobicContact CE2-CD1 4.23Å; F191-I215 HydrophobicContact CZ-CD1 3.82Å; S212-I215 WeakPolarHBondContact OG-CD1 3.26Å; S212-I215 WeakPolarHBondContact OG-CG1 3.46Å; I215-F225 HydrophobicContact CG2-CE1 4.3Å; I215-F229 HydrophobicContact CB-CE2 4.21Å; I215-F229 HydrophobicContact CB-CZ 4.04Å; I215-F229 HydrophobicContact CG2-CZ 3.94Å; I215-T248 HydrophobicContact CD1-CG2 4.25Å; I215-L262 HydrophobicContact CG2-CD1 4.48Å; I215-L262 HydrophobicContact CG2-CD2 4.23Å; I215-F264 HydrophobicContact CD1-CD1 4.21Å; I215-F264 HydrophobicContact CD1-CE1 3.61Å; I215-F264 HydrophobicContact CD1-CZ 4.21Å; I215-F264 HydrophobicContact CG1-CD1 3.74Å; I215-F264 HydrophobicContact CG1-CE1 3.63Å; I215-F264 HydrophobicContact CG1-CG 4.48Å; I215-F264 HydrophobicContact CG1-CZ 4.3Å
216	R	97.7	Very high	97.3	Very high	138 Å²	138	44.4 Å²	44.4	52%	0.521	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	105.1	177.5	-178.6	172	60.3	-180	-0	110.3	D263 L265	R216-D263 HydrophobicContact CB-CB 4.37Å; R216-D263 IonicContact CZ-OD2 3.92Å; R216-D263 PolarHBondContact N-O 3.29Å; R216-D263 IonicContact NE-OD2 2.79Å; R216-D263 IonicContact NH2-OD2 3.86Å; R216-D263 PolarHBondContact NH2-OD2 2.82Å; R216-D263 PolarHBondContact O-N 2.68Å; R216-L265 HydrophobicContact CB-CD1 4.32Å
217	P	97.1	Very high	97.2	Very high	28 Å²	28	47.2 Å²	47.2	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	143.9	170.9	28.9	-32	0	0	0	111	L221 A222 H261 L262	P217-L221 HydrophobicContact CB-CB 3.81Å; P217-A222 HydrophobicContact CG-CB 4.42Å; P217-H261 WeakPolarHBondContact CA-O 3.44Å; P217-L262 HydrophobicContact CB-CD2 3.77Å
218	D	96.9	Very high	97.1	Very high	59 Å²	59	42.3 Å²	42.3	32%	0.316	27%	0.274	S	S	.	.			trans	-74.3	-178.9	167.5	76.8	11.6	0	0	0	111.6	T220 L221 A222 H261	D218-T220 PolarHBondContact O-N 2.93Å; D218-T220 WeakPolarHBondContact OD1-CA 3.39Å; D218-T220 WeakPolarHBondContact OD1-CB 3.27Å; D218-T220 PolarHBondContact OD1-N 2.91Å; D218-T220 PolarHBondContact OD1-OG1 3.21Å; D218-T220 PolarHBondContact OD2-OG1 2.69Å; D218-L221 PolarHBondContact O-N 3.31Å; D218-L221 VanDerWaalsContact O-N 3.14Å; D218-L221 PolarHBondContact OD1-N 3.41Å; D218-A222 WeakPolarHBondContact O-CB 3.44Å; D218-A222 PolarHBondContact O-N 2.99Å; D218-H261 PolarHBondContact N-O 3.37Å; D218-H261 IonicContact OD1-CG 2.76Å; D218-H261 IonicContact OD1-ND1 3.23Å; D218-H261 IonicContact OD2-CE1 3.57Å; D218-H261 IonicContact OD2-CG 3.68Å; D218-H261 IonicContact OD2-ND1 4Å; D218-H261 PolarHBondContact OD2-ND1 2.93Å
219	S	96.8	Very high	97.1	Very high	111 Å²	111	42.6 Å²	42.6	78%	0.776	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.1	-179.6	53.8	0	0	0	0	114.7
220	T	95.8	Very high	97.1	Very high	80 Å²	80	46.3 Å²	46.3	49%	0.491	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-39.5	178.7	-40.8	0	0	0	0	111.1	D218	D218-T220 PolarHBondContact O-N 2.93Å; D218-T220 WeakPolarHBondContact OD1-CA 3.39Å; D218-T220 WeakPolarHBondContact OD1-CB 3.27Å; D218-T220 PolarHBondContact OD1-N 2.91Å; D218-T220 PolarHBondContact OD1-OG1 3.21Å; D218-T220 PolarHBondContact OD2-OG1 2.69Å
221	L	96.4	Very high	97.1	Very high	23 Å²	23	48.2 Å²	48.2	12%	0.12	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-10.9	-176.3	-69.6	-174.5	0	0	0	114	V195 P217 D218 S223 T224 F225 G226 H261 L262	V195-L221 HydrophobicContact CG1-CD1 4.24Å; V195-L221 HydrophobicContact CG1-CD2 4.27Å; V195-L221 HydrophobicContact CG2-CD1 4.04Å; P217-L221 HydrophobicContact CB-CB 3.81Å; D218-L221 PolarHBondContact O-N 3.31Å; D218-L221 VanDerWaalsContact O-N 3.14Å; D218-L221 PolarHBondContact OD1-N 3.41Å; L221-S223 PolarHBondContact O-N 3.47Å; L221-T224 PolarHBondContact O-N 3.33Å; L221-T224 PolarHBondContact O-OG1 3.03Å; L221-F225 HydrophobicContact CB-CB 4.28Å; L221-F225 HydrophobicContact CD2-CB 4.5Å; L221-F225 PolarHBondContact O-N 3Å; L221-F225 VanDerWaalsContact O-N 3.07Å; L221-G226 PolarHBondContact O-N 2.66Å; L221-H261 HydrophobicContact CD1-CB 3.55Å; L221-H261 HydrophobicContact CG-CB 3.81Å; L221-L262 HydrophobicContact CB-CD2 4.4Å; L221-L262 HydrophobicContact CD1-CD2 3.62Å; L221-L262 HydrophobicContact CD1-CG 3.91Å
222	A	96.1	Very high	97.1	Very high	48 Å²	48	49.9 Å²	49.9	40%	0.397	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-41.4	-174	0	0	0	0	0	113.7	P217 D218 G226	P217-A222 HydrophobicContact CG-CB 4.42Å; D218-A222 WeakPolarHBondContact O-CB 3.44Å; D218-A222 PolarHBondContact O-N 2.99Å; A222-G226 CarbonylContact O-C 3.5Å; A222-G226 WeakPolarHBondContact O-CA 3.48Å
223	S	95.9	Very high	97.1	Very high	101 Å²	101	53.4 Å²	53.4	71%	0.706	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-10.5	-178.3	59.2	0	0	0	0	114.4	L221	L221-S223 PolarHBondContact O-N 3.47Å
224	T	95.2	Very high	97.1	Very high	78 Å²	78	54.6 Å²	54.6	48%	0.479	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-87.5	179.6	51.8	0	0	0	0	109.5	L221 G226 A227	L221-T224 PolarHBondContact O-N 3.33Å; L221-T224 PolarHBondContact O-OG1 3.03Å; T224-G226 VanDerWaalsContact C-N 3.3Å; T224-G226 PolarHBondContact O-N 2.79Å; T224-A227 PolarHBondContact O-N 3.26Å; T224-A227 VanDerWaalsContact O-N 3.07Å
225	F	96.7	Very high	97.1	Very high	1 Å²	1	55.8 Å²	55.8	0%	0.004	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-59.4	-39.8	-179.7	179.4	-105.4	0	0	0	112.2	F186 F191 V195 L198 M199 L203 I215 L221 A227 A228 F229 L262	F186-F225 HydrophobicContact CE2-CZ 4.06Å; F186-F225 HydrophobicContact CZ-CE2 4.19Å; F186-F225 HydrophobicContact CZ-CZ 4.03Å; F191-F225 HydrophobicContact CE1-CE1 4.23Å; F191-F225 HydrophobicContact CE1-CE2 4.35Å; F191-F225 AromaticContact CE1-CZ 3.63Å; F191-F225 HydrophobicContact CE1-CZ 3.63Å; F191-F225 AromaticContact CZ-CZ 3.93Å; F191-F225 HydrophobicContact CZ-CZ 3.93Å; V195-F225 HydrophobicContact CG1-CB 3.8Å; V195-F225 HydrophobicContact CG1-CD1 4.5Å; V195-F225 HydrophobicContact CG1-CD2 3.65Å; V195-F225 HydrophobicContact CG1-CE2 4.38Å; V195-F225 HydrophobicContact CG1-CG 3.72Å; L198-F225 HydrophobicContact CD2-CE2 3.72Å; L198-F225 HydrophobicContact CD2-CZ 4.1Å; L198-F225 HydrophobicContact CG-CE2 4.32Å; M199-F225 HydrophobicContact CG-CD2 4.27Å; M199-F225 HydrophobicContact SD-CB 4.33Å; M199-F225 HydrophobicContact SD-CD2 3.78Å; L203-F225 HydrophobicContact CD1-CD2 4.09Å; L203-F225 HydrophobicContact CD1-CE2 3.8Å; I215-F225 HydrophobicContact CG2-CE1 4.3Å; L221-F225 HydrophobicContact CB-CB 4.28Å; L221-F225 HydrophobicContact CD2-CB 4.5Å; L221-F225 PolarHBondContact O-N 3Å; L221-F225 VanDerWaalsContact O-N 3.07Å; F225-A227 PolarHBondContact O-N 3.11Å; F225-A227 VanDerWaalsContact O-N 3.13Å; F225-A228 WeakPolarHBondContact O-CB 3.44Å; F225-A228 PolarHBondContact O-N 2.78Å; F225-F229 HydrophobicContact CD1-CD1 4.45Å; F225-F229 AromaticContact CD1-CE1 3.73Å; F225-F229 HydrophobicContact CD1-CE1 3.73Å; F225-F229 HydrophobicContact CE1-CD1 4.1Å; F225-F229 AromaticContact CE1-CE1 3.45Å; F225-F229 HydrophobicContact CE1-CE1 3.45Å; F225-F229 VanDerWaalsContact CE1-CE1 3.45Å; F225-F229 HydrophobicContact CE1-CZ 4.23Å; F225-F229 HydrophobicContact CG-CE1 4.49Å; F225-F229 HydrophobicContact CZ-CD1 4.21Å; F225-F229 HydrophobicContact CZ-CE1 4Å; F225-F229 VanDerWaalsContact O-CD1 3.32Å; F225-F229 WeakPolarHBondContact O-CD1 3.41Å; F225-F229 WeakPolarHBondContact O-CE1 3.2Å; F225-L262 HydrophobicContact CD1-CD1 4.2Å; F225-L262 HydrophobicContact CD1-CD2 3.73Å; F225-L262 HydrophobicContact CE1-CD1 3.75Å; F225-L262 HydrophobicContact CE1-CD2 3.91Å; F225-L262 HydrophobicContact CZ-CD1 4.4Å
226	G	94.9	Very high	97.2	Very high	22 Å²	22	61.8 Å²	61.8	23%	0.227	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-62	-19.5	177.5	0	0	0	0	0	114.8	L221 A222 T224	L221-G226 PolarHBondContact O-N 2.66Å; A222-G226 CarbonylContact O-C 3.5Å; A222-G226 WeakPolarHBondContact O-CA 3.48Å; T224-G226 VanDerWaalsContact C-N 3.3Å; T224-G226 PolarHBondContact O-N 2.79Å
227	A	95.8	Very high	97.1	Very high	78 Å²	78	55.9 Å²	55.9	65%	0.645	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-90	-9.4	174.8	0	0	0	0	0	113.2	T224 F225	T224-A227 PolarHBondContact O-N 3.26Å; T224-A227 VanDerWaalsContact O-N 3.07Å; F225-A227 PolarHBondContact O-N 3.11Å; F225-A227 VanDerWaalsContact O-N 3.13Å
228	A	96.4	Very high	97	Very high	35 Å²	35	57.1 Å²	57.1	29%	0.289	36%	0.355	S	S	.	.	S	Bend	trans	-86.9	-9.4	-175.2	0	0	0	0	0	114	M199 L203 F225	M199-A228 HydrophobicContact CE-CB 4.34Å; M199-A228 HydrophobicContact SD-CB 3.97Å; L203-A228 HydrophobicContact CD1-CB 3.92Å; F225-A228 WeakPolarHBondContact O-CB 3.44Å; F225-A228 PolarHBondContact O-N 2.78Å
229	F	98.1	Very high	96.9	Very high	20 Å²	20	57.5 Å²	57.5	9%	0.088	37%	0.373	C	S	.	.			trans	-140.8	167.1	177.5	68.3	-83.7	0	0	0	111	F186 V210 S212 I215 F225	F186-F229 HydrophobicContact CE2-CB 3.76Å; F186-F229 AromaticContact CE2-CD1 3.83Å; F186-F229 HydrophobicContact CE2-CD1 3.83Å; F186-F229 HydrophobicContact CE2-CD2 4.2Å; F186-F229 HydrophobicContact CE2-CE1 4.48Å; F186-F229 AromaticContact CE2-CG 3.67Å; F186-F229 HydrophobicContact CE2-CG 3.67Å; F186-F229 HydrophobicContact CZ-CB 3.98Å; F186-F229 HydrophobicContact CZ-CD1 4.21Å; F186-F229 HydrophobicContact CZ-CG 4.23Å; V210-F229 HydrophobicContact CB-CB 4.25Å; V210-F229 HydrophobicContact CG1-CB 4.14Å; V210-F229 WeakPolarHBondContact O-CA 3.08Å; V210-F229 WeakPolarHBondContact O-CB 3.35Å; S212-F229 WeakPolarHBondContact O-CE2 3.26Å; I215-F229 HydrophobicContact CB-CE2 4.21Å; I215-F229 HydrophobicContact CB-CZ 4.04Å; I215-F229 HydrophobicContact CG2-CZ 3.94Å; F225-F229 HydrophobicContact CD1-CD1 4.45Å; F225-F229 AromaticContact CD1-CE1 3.73Å; F225-F229 HydrophobicContact CD1-CE1 3.73Å; F225-F229 HydrophobicContact CE1-CD1 4.1Å; F225-F229 AromaticContact CE1-CE1 3.45Å; F225-F229 HydrophobicContact CE1-CE1 3.45Å; F225-F229 VanDerWaalsContact CE1-CE1 3.45Å; F225-F229 HydrophobicContact CE1-CZ 4.23Å; F225-F229 HydrophobicContact CG-CE1 4.49Å; F225-F229 HydrophobicContact CZ-CD1 4.21Å; F225-F229 HydrophobicContact CZ-CE1 4Å; F225-F229 VanDerWaalsContact O-CD1 3.32Å; F225-F229 WeakPolarHBondContact O-CD1 3.41Å; F225-F229 WeakPolarHBondContact O-CE1 3.2Å
230	Q	98.4	Very high	96.9	Very high	107 Å²	107	55.7 Å²	55.7	50%	0.5	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-129.2	152.9	179.5	-61.3	-179.6	19.3	0	0	110.4	V210 L211 S212 Y232	V210-Q230 PolarHBondContact O-N 3.01Å; L211-Q230 CarbonylContact C-O 3.43Å; L211-Q230 WeakPolarHBondContact CA-O 3.22Å; L211-Q230 HydrophobicContact CD2-CB 4.27Å; S212-Q230 PolarHBondContact N-O 3.07Å; Q230-Y232 PolarHBondContact O-N 3.01Å
231	P	98.6	Very high	97.1	Very high	52 Å²	52	56.2 Å²	56.2	34%	0.338	35%	0.345	S	S	.	.	S	Bend	trans	-63.5	-32.5	175.2	23.8	-33	0	0	0	112.6	S212 A213 G246 V274	S212-P231 WeakPolarHBondContact O-CA 3.09Å; A213-P231 HydrophobicContact CB-CB 3.95Å; P231-G246 PolarHBondContact O-N 3.33Å; P231-V274 HydrophobicContact CB-CG1 4.33Å; P231-V274 HydrophobicContact CB-CG2 4.14Å
232	Y	98.9	Very high	97.2	Very high	35 Å²	35	55.1 Å²	55.1	14%	0.137	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	165.8	-178.8	69.1	-87.6	0	0	0	111.8	Q230 I234 V244 V274 K277 L278	Q230-Y232 PolarHBondContact O-N 3.01Å; Y232-I234 HydrophobicContact CD2-CG1 4.17Å; Y232-I234 HydrophobicContact CE2-CD1 4.12Å; Y232-I234 HydrophobicContact CE2-CG1 4.03Å; Y232-V244 CarbonylContact C-O 3.58Å; Y232-V244 WeakPolarHBondContact CA-O 3.07Å; Y232-V244 WeakPolarHBondContact CB-O 3.29Å; Y232-V274 HydrophobicContact CD1-CG1 3.4Å; Y232-V274 HydrophobicContact CE1-CG1 4.22Å; Y232-V274 HydrophobicContact CG-CG1 3.97Å; Y232-K277 HydrophobicContact CE1-CD 4.11Å; Y232-K277 VanDerWaalsContact OH-CE 3.26Å; Y232-K277 WeakPolarHBondContact OH-CE 3.27Å; Y232-K277 PolarHBondContact OH-NZ 3.36Å; Y232-L278 HydrophobicContact CD2-CD2 3.42Å; Y232-L278 VanDerWaalsContact CD2-CD2 3.42Å; Y232-L278 HydrophobicContact CD2-CG 4.14Å; Y232-L278 HydrophobicContact CE2-CD2 3.58Å; Y232-L278 HydrophobicContact CE2-CG 4.43Å; Y232-L278 HydrophobicContact CG-CD1 4.47Å; Y232-L278 HydrophobicContact CG-CD2 4.11Å; Y232-L278 HydrophobicContact CG-CG 4.36Å
233	K	98.8	Very high	97.3	Very high	75 Å²	75	52.8 Å²	52.8	33%	0.326	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	140.9	168	-178.6	67.6	172.6	-169.9	0	110.3	L211 F235 V244	L211-K233 HydrophobicContact CD1-CB 4.32Å; L211-K233 HydrophobicContact CD2-CB 3.95Å; K233-F235 HydrophobicContact CB-CD2 4.38Å; K233-F235 HydrophobicContact CB-CE2 3.7Å; K233-F235 HydrophobicContact CB-CZ 4.01Å; K233-F235 HydrophobicContact CG-CD1 4.45Å; K233-F235 HydrophobicContact CG-CD2 4.03Å; K233-F235 HydrophobicContact CG-CE1 3.99Å; K233-F235 HydrophobicContact CG-CE2 3.52Å; K233-F235 HydrophobicContact CG-CG 4.46Å; K233-F235 HydrophobicContact CG-CZ 3.49Å; K233-F235 VanDerWaalsContact CG-CZ 3.49Å; K233-V244 PolarHBondContact N-O 2.62Å; K233-V244 PolarHBondContact O-N 3.25Å
234	I	98.9	Very high	97.5	Very high	46 Å²	46	48 Å²	48	24%	0.236	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.9	169.4	-56.6	169.9	0	0	0	107.9	Y232 R241 V242 L278 L281 V283	Y232-I234 HydrophobicContact CD2-CG1 4.17Å; Y232-I234 HydrophobicContact CE2-CD1 4.12Å; Y232-I234 HydrophobicContact CE2-CG1 4.03Å; I234-R241 HydrophobicContact CG2-CB 4.01Å; I234-R241 HydrophobicContact CG2-CG 4.35Å; I234-V242 CarbonylContact C-O 3.58Å; I234-V242 WeakPolarHBondContact CA-O 3.4Å; I234-L278 HydrophobicContact CD1-CD2 3.91Å; I234-L278 HydrophobicContact CG1-CD2 3.63Å; I234-L281 HydrophobicContact CD1-CD1 4.15Å; I234-V283 HydrophobicContact CD1-CG2 3.7Å; I234-V283 HydrophobicContact CG1-CG2 4.04Å; I234-V283 HydrophobicContact CG2-CG2 4.12Å
235	F	98.8	Very high	97.6	Very high	25 Å²	25	44.3 Å²	44.3	11%	0.11	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.9	175.9	-65.4	-87.4	0	0	0	110.4	L150 D182 A183 K233 V237 R241 V242 V244	L150-F235 HydrophobicContact CD2-CB 4.27Å; L150-F235 HydrophobicContact CD2-CD1 4.18Å; L150-F235 HydrophobicContact CD2-CG 4.12Å; D182-F235 HydrophobicContact CB-CE1 4.03Å; D182-F235 HydrophobicContact CB-CZ 4.33Å; D182-F235 WeakPolarHBondContact O-CZ 3.27Å; A183-F235 HydrophobicContact CB-CE2 4.28Å; A183-F235 HydrophobicContact CB-CZ 3.91Å; K233-F235 HydrophobicContact CB-CD2 4.38Å; K233-F235 HydrophobicContact CB-CE2 3.7Å; K233-F235 HydrophobicContact CB-CZ 4.01Å; K233-F235 HydrophobicContact CG-CD1 4.45Å; K233-F235 HydrophobicContact CG-CD2 4.03Å; K233-F235 HydrophobicContact CG-CE1 3.99Å; K233-F235 HydrophobicContact CG-CE2 3.52Å; K233-F235 HydrophobicContact CG-CG 4.46Å; K233-F235 HydrophobicContact CG-CZ 3.49Å; K233-F235 VanDerWaalsContact CG-CZ 3.49Å; F235-V237 HydrophobicContact CB-CG2 3.98Å; F235-R241 WeakPolarHBondContact O-CA 3.24Å; F235-V242 PolarHBondContact N-O 2.99Å; F235-V242 PolarHBondContact O-N 3.11Å; F235-V244 HydrophobicContact CD2-CB 4.46Å; F235-V244 HydrophobicContact CD2-CG2 3.76Å; F235-V244 HydrophobicContact CE2-CB 4.07Å; F235-V244 HydrophobicContact CE2-CG2 3.7Å
236	E	98.2	Very high	97.7	Very high	135 Å²	135	44.2 Å²	44.2	63%	0.631	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	108.4	169.9	-65.5	-69.8	168.3	0	0	108.3	Q240 R241	E236-Q240 CarbonylContact C-O 3.58Å; E236-Q240 WeakPolarHBondContact CA-O 3.42Å; E236-R241 WeakPolarHBondContact OE1-CD 3.02Å; E236-R241 WeakPolarHBondContact OE1-CG 3.46Å; E236-R241 WeakPolarHBondContact OE2-CG 3.25Å
237	V	97.4	Very high	97.9	Very high	14 Å²	14	43.2 Å²	43.2	9%	0.085	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	118.7	-176.6	-170.5	0	0	0	0	108.8	W98 L100 N148 L150 F235 G239 Q240	W98-V237 HydrophobicContact CH2-CB 4.35Å; W98-V237 HydrophobicContact CZ2-CB 4.06Å; W98-V237 HydrophobicContact CZ2-CG1 4.11Å; W98-V237 VanDerWaalsContact CZ2-O 3.22Å; W98-V237 WeakPolarHBondContact CZ2-O 3.45Å; L100-V237 HydrophobicContact CD1-CG1 4.09Å; N148-V237 HydrophobicContact CB-CG1 3.69Å; L150-V237 HydrophobicContact CD1-CG2 4.39Å; L150-V237 HydrophobicContact CD2-CG2 3.86Å; L150-V237 HydrophobicContact CG-CG2 4.15Å; F235-V237 HydrophobicContact CB-CG2 3.98Å; V237-G239 PolarHBondContact O-N 3.18Å; V237-G239 VanDerWaalsContact O-N 3.12Å; V237-Q240 PolarHBondContact N-O 2.97Å; V237-Q240 PolarHBondContact O-N 3.23Å
238	G	94.3	Very high	97.9	Very high	54 Å²	54	39.5 Å²	39.5	56%	0.557	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	30.3	178.8	0	0	0	0	0	114.6	N148 Q240	N148-G238 VanDerWaalsContact OD1-CA 3.22Å; N148-G238 WeakPolarHBondContact OD1-CA 3.43Å; G238-Q240 VanDerWaalsContact C-N 3.31Å
239	G	94.8	Very high	97.5	Very high	68 Å²	68	38 Å²	38	70%	0.701	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	10.1	-176.2	0	0	0	0	0	115.1	V237	V237-G239 PolarHBondContact O-N 3.18Å; V237-G239 VanDerWaalsContact O-N 3.12Å
240	Q	97.5	Very high	97.1	Very high	72 Å²	72	43.6 Å²	43.6	34%	0.336	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	152	175.2	-62.2	-64.3	-50.7	0	0	110.8	W98 E236 V237 G238	W98-Q240 HydrophobicContact CD2-CB 4.18Å; W98-Q240 HydrophobicContact CD2-CG 3.72Å; W98-Q240 HydrophobicContact CE3-CB 4.5Å; W98-Q240 HydrophobicContact CE3-CG 4.37Å; W98-Q240 HydrophobicContact CG-CG 3.78Å; W98-Q240 HydrophobicContact CH2-CB 4.22Å; W98-Q240 HydrophobicContact CZ2-CB 3.9Å; W98-Q240 HydrophobicContact CZ2-CG 4.21Å; W98-Q240 HydrophobicContact CZ3-CB 4.5Å; E236-Q240 CarbonylContact C-O 3.58Å; E236-Q240 WeakPolarHBondContact CA-O 3.42Å; V237-Q240 PolarHBondContact N-O 2.97Å; V237-Q240 PolarHBondContact O-N 3.23Å; G238-Q240 VanDerWaalsContact C-N 3.31Å
241	R	98.3	Very high	96.3	Very high	91 Å²	91	42 Å²	42	34%	0.343	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.3	176.4	-65.3	-171.4	-57	166.8	4.6	110.7	I234 F235 E236 L281 G282 V283	I234-R241 HydrophobicContact CG2-CB 4.01Å; I234-R241 HydrophobicContact CG2-CG 4.35Å; F235-R241 WeakPolarHBondContact O-CA 3.24Å; E236-R241 WeakPolarHBondContact OE1-CD 3.02Å; E236-R241 WeakPolarHBondContact OE1-CG 3.46Å; E236-R241 WeakPolarHBondContact OE2-CG 3.25Å; R241-L281 PolarHBondContact NH1-O 3.16Å; R241-L281 PolarHBondContact NH2-O 3.28Å; R241-G282 PolarHBondContact NH2-O 3.1Å; R241-V283 HydrophobicContact CB-CG2 4.42Å
242	V	98.8	Very high	95.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.4	176.9	-176.5	0	0	0	0	109	W98 L100 L150 I234 F235 K285 I287	W98-V242 HydrophobicContact CH2-CG2 3.67Å; W98-V242 HydrophobicContact CZ3-CG2 4.07Å; L100-V242 HydrophobicContact CD2-CG1 4.14Å; L100-V242 HydrophobicContact CD2-CG2 4.06Å; L150-V242 HydrophobicContact CD1-CG1 4.2Å; I234-V242 CarbonylContact C-O 3.58Å; I234-V242 WeakPolarHBondContact CA-O 3.4Å; F235-V242 PolarHBondContact N-O 2.99Å; F235-V242 PolarHBondContact O-N 3.11Å; V242-K285 HydrophobicContact CG2-CB 4.45Å; V242-I287 HydrophobicContact CG1-CD1 3.57Å; V242-I287 HydrophobicContact CG1-CG1 4.13Å
243	G	98.9	Very high	94.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.6	172.8	0	0	0	0	0	110.3	K285 V286 I287	G243-K285 PolarHBondContact N-O 3.44Å; G243-V286 CarbonylContact O-C 3.57Å; G243-V286 WeakPolarHBondContact O-CA 3.46Å; G243-I287 PolarHBondContact O-N 2.74Å
244	V	98.9	Very high	92.8	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.1	169.4	-175.7	0	0	0	0	107.7	L211 Y232 K233 F235 I287 L289	L211-V244 HydrophobicContact CD1-CB 3.98Å; L211-V244 HydrophobicContact CD1-CG1 3.67Å; Y232-V244 CarbonylContact C-O 3.58Å; Y232-V244 WeakPolarHBondContact CA-O 3.07Å; Y232-V244 WeakPolarHBondContact CB-O 3.29Å; K233-V244 PolarHBondContact N-O 2.62Å; K233-V244 PolarHBondContact O-N 3.25Å; F235-V244 HydrophobicContact CD2-CB 4.46Å; F235-V244 HydrophobicContact CD2-CG2 3.76Å; F235-V244 HydrophobicContact CE2-CB 4.07Å; F235-V244 HydrophobicContact CE2-CG2 3.7Å; V244-I287 CarbonylContact C-O 3.58Å; V244-I287 VanDerWaalsContact CA-O 3.32Å; V244-I287 WeakPolarHBondContact CA-O 3.41Å; V244-I287 HydrophobicContact CG2-CB 4.34Å; V244-I287 HydrophobicContact CG2-CD1 4.29Å; V244-L289 HydrophobicContact CG1-CB 3.78Å; V244-L289 HydrophobicContact CG1-CD2 4.09Å
245	V	98.9	Very high	91.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.1	177.3	59.8	0	0	0	0	109.8	A213 L271 V274 V275 V286 I287 A288 L289	A213-V245 HydrophobicContact CB-CG2 3.96Å; V245-L271 HydrophobicContact CG1-CD2 4.31Å; V245-L271 HydrophobicContact CG1-CG 4.47Å; V245-L271 HydrophobicContact CG2-CG 4.03Å; V245-V274 HydrophobicContact CB-CG1 4.38Å; V245-V274 HydrophobicContact CG2-CB 4.08Å; V245-V274 HydrophobicContact CG2-CG1 3.66Å; V245-V275 HydrophobicContact CG1-CG2 4.14Å; V245-V286 HydrophobicContact CG1-CG1 4.18Å; V245-I287 PolarHBondContact N-O 2.88Å; V245-A288 HydrophobicContact CG1-CB 4.12Å; V245-L289 PolarHBondContact O-N 3.15Å
246	G	98.8	Very high	90.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	149.1	-175.4	0	0	0	0	0	113.3	A213 P231 L289	A213-G246 WeakPolarHBondContact CB-O 3.14Å; A213-G246 PolarHBondContact N-O 2.96Å; P231-G246 PolarHBondContact O-N 3.33Å; G246-L289 CarbonylContact C-O 3.58Å; G246-L289 VanDerWaalsContact CA-O 3.22Å; G246-L289 WeakPolarHBondContact CA-O 3.2Å
247	Y	98.8	Very high	89.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	152.4	166.2	59.9	-84.2	0	0	0	113	N214 E267 L271 A288 L289 G290 H291 S292 D297 I300 V310	N214-Y247 WeakPolarHBondContact OD1-CA 3.36Å; Y247-E267 HydrophobicContact CD2-CG 4.17Å; Y247-L271 HydrophobicContact CD1-CD1 4.47Å; Y247-L271 HydrophobicContact CD1-CD2 3.82Å; Y247-L271 HydrophobicContact CE1-CD2 4.46Å; Y247-L271 HydrophobicContact CG-CD1 4.38Å; Y247-L271 HydrophobicContact CG-CD2 4.41Å; Y247-A288 HydrophobicContact CD1-CB 4.42Å; Y247-A288 HydrophobicContact CE1-CB 3.91Å; Y247-L289 WeakPolarHBondContact CD1-O 3.44Å; Y247-L289 WeakPolarHBondContact CE1-O 3.41Å; Y247-L289 PolarHBondContact N-O 2.94Å; Y247-G290 VanDerWaalsContact CE1-CA 3.47Å; Y247-G290 VanDerWaalsContact CZ-CA 3.41Å; Y247-G290 CarbonylContact O-C 3.55Å; Y247-G290 WeakPolarHBondContact O-CA 3.41Å; Y247-H291 PolarHBondContact O-N 2.81Å; Y247-S292 WeakPolarHBondContact CD2-OG 3.35Å; Y247-D297 WeakPolarHBondContact CE2-OD1 3.2Å; Y247-D297 PolarHBondContact OH-OD1 3.37Å; Y247-I300 HydrophobicContact CD1-CD1 3.96Å; Y247-I300 HydrophobicContact CD2-CD1 3.68Å; Y247-I300 HydrophobicContact CE1-CD1 3.76Å; Y247-I300 HydrophobicContact CE2-CD1 3.46Å; Y247-I300 VanDerWaalsContact CE2-CD1 3.46Å; Y247-I300 HydrophobicContact CG-CD1 3.93Å; Y247-V310 VanDerWaalsContact OH-CG1 3.23Å; Y247-V310 WeakPolarHBondContact OH-CG1 3.5Å
248	T	94.6	Very high	88.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.9	-178.1	-55.7	0	0	0	0	110	F186 S212 N214 I215 R250 F264	F186-T248 HydrophobicContact CB-CG2 4.25Å; F186-T248 WeakPolarHBondContact O-CB 3.22Å; F186-T248 WeakPolarHBondContact O-CG2 3.42Å; F186-T248 PolarHBondContact O-OG1 2.88Å; S212-T248 PolarHBondContact OG-OG1 3.5Å; N214-T248 PolarHBondContact ND2-O 2.97Å; N214-T248 PolarHBondContact OD1-N 3.12Å; N214-T248 PolarHBondContact OD1-O 2.97Å; I215-T248 HydrophobicContact CD1-CG2 4.25Å; T248-R250 PolarHBondContact O-N 3.28Å; T248-F264 HydrophobicContact CG2-CD1 4.24Å; T248-F264 HydrophobicContact CG2-CE1 3.93Å
249	S	89.2	Confident	88.2	Confident	4 Å²	4	38 Å²	38	3%	0.028	22%	0.216	C	C	.	.			trans	-50.3	128.2	-178.4	-179.4	0	0	0	0	112.9	E251 T252 H291 S292	S249-E251 PolarHBondContact O-N 3.05Å; S249-E251 VanDerWaalsContact O-N 3.16Å; S249-E251 WeakPolarHBondContact OG-CB 3.48Å; S249-E251 PolarHBondContact OG-N 3.26Å; S249-E251 VanDerWaalsContact OG-N 3.09Å; S249-T252 WeakPolarHBondContact O-CB 3.31Å; S249-T252 PolarHBondContact O-N 3.42Å; S249-T252 VanDerWaalsContact O-N 3.1Å; S249-T252 PolarHBondContact O-OG1 3.12Å; S249-H291 WeakPolarHBondContact CA-O 3.41Å; S249-H291 WeakPolarHBondContact CB-O 3.44Å; S249-H291 PolarHBondContact N-O 2.89Å; S249-S292 VanDerWaalsContact CA-OG 3.27Å; S249-S292 WeakPolarHBondContact CA-OG 3.42Å; S249-S292 PolarHBondContact N-OG 2.82Å
250	R	90.4	Very high	87.9	Confident	138 Å²	138	40.3 Å²	40.3	52%	0.521	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.6	169.4	68.5	179.2	-62.7	173.8	2.7	114.1	T248 T252 D266 E267	T248-R250 PolarHBondContact O-N 3.28Å; R250-T252 VanDerWaalsContact C-N 3.28Å; R250-D266 IonicContact NH1-OD2 2.95Å; R250-E267 PolarHBondContact N-OE1 2.82Å; R250-E267 VanDerWaalsContact N-OE1 3.11Å
251	E	81.1	Confident	87.7	Confident	74 Å²	74	40.3 Å²	40.3	35%	0.346	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.4	175.7	-58.7	-170.7	165.4	0	0	112.4	S249 P253 A254 L255 R513	S249-E251 PolarHBondContact O-N 3.05Å; S249-E251 VanDerWaalsContact O-N 3.16Å; S249-E251 WeakPolarHBondContact OG-CB 3.48Å; S249-E251 PolarHBondContact OG-N 3.26Å; S249-E251 VanDerWaalsContact OG-N 3.09Å; E251-P253 VanDerWaalsContact C-CD 3.46Å; E251-P253 VanDerWaalsContact O-N 3.15Å; E251-A254 WeakPolarHBondContact O-CA 3.37Å; E251-A254 WeakPolarHBondContact O-CB 3.4Å; E251-A254 PolarHBondContact O-N 2.73Å; E251-L255 HydrophobicContact CB-CD1 3.82Å; E251-L255 HydrophobicContact CB-CG 4.22Å; E251-L255 WeakPolarHBondContact O-CG 3.48Å; E251-L255 PolarHBondContact O-N 3.46Å; E251-R513 IonicContact OE1-NH1 3.79Å; E251-R513 PolarHBondContact OE1-NH1 3.26Å; E251-R513 IonicContact OE1-NH2 2.68Å
252	T	78.7	Confident	87.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-48.7	-42.8	-176.1	-60.2	0	0	0	0	114.8	N188 F191 S249 R250 A254 L255 S256 P258 F264	N188-T252 HydrophobicContact CB-CG2 4.04Å; F191-T252 HydrophobicContact CB-CG2 4.42Å; F191-T252 HydrophobicContact CD2-CG2 3.7Å; F191-T252 HydrophobicContact CE2-CG2 4.31Å; F191-T252 HydrophobicContact CG-CG2 4.24Å; S249-T252 WeakPolarHBondContact O-CB 3.31Å; S249-T252 PolarHBondContact O-N 3.42Å; S249-T252 VanDerWaalsContact O-N 3.1Å; S249-T252 PolarHBondContact O-OG1 3.12Å; R250-T252 VanDerWaalsContact C-N 3.28Å; T252-A254 PolarHBondContact O-N 2.82Å; T252-A254 VanDerWaalsContact O-N 3.16Å; T252-L255 PolarHBondContact O-N 3.07Å; T252-S256 PolarHBondContact O-N 3Å; T252-P258 HydrophobicContact CG2-CG 4.22Å; T252-F264 HydrophobicContact CG2-CD1 4.44Å; T252-F264 HydrophobicContact CG2-CE1 3.67Å; T252-F264 HydrophobicContact CG2-CE2 4.39Å; T252-F264 HydrophobicContact CG2-CZ 3.64Å
253	P	78.5	Confident	87.1	Confident	71 Å²	71	40.1 Å²	40.1	46%	0.461	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-21.2	176.6	-24.4	35.7	0	0	0	115.2	E251 P258 F264	E251-P253 VanDerWaalsContact C-CD 3.46Å; E251-P253 VanDerWaalsContact O-N 3.15Å; P253-P258 HydrophobicContact CB-CG 4.18Å; P253-P258 HydrophobicContact CG-CG 4.16Å; P253-F264 HydrophobicContact CG-CD2 3.63Å; P253-F264 HydrophobicContact CG-CE2 4.08Å; P253-F264 HydrophobicContact CG-CG 4.3Å
254	A	65.7	Low	86.8	Confident	47 Å²	47	40.6 Å²	40.6	39%	0.388	23%	0.226	S	C	.	.	H	α-helix	trans	-92	-18.2	175.9	0	0	0	0	0	113.1	E251 T252 Y572 D578	E251-A254 WeakPolarHBondContact O-CA 3.37Å; E251-A254 WeakPolarHBondContact O-CB 3.4Å; E251-A254 PolarHBondContact O-N 2.73Å; T252-A254 PolarHBondContact O-N 2.82Å; T252-A254 VanDerWaalsContact O-N 3.16Å; A254-Y572 PolarHBondContact O-OH 2.81Å; A254-D578 PolarHBondContact O-N 3.44Å
255	L	66.8	Low	86.6	Confident	33 Å²	33	43.1 Å²	43.1	17%	0.173	24%	0.239	C	C	.	.	H	α-helix	trans	-105.3	-21.8	-173.2	-61.2	176.7	0	0	0	113.3	N188 E251 T252	N188-L255 HydrophobicContact CB-CB 4.23Å; N188-L255 HydrophobicContact CB-CD1 4.35Å; E251-L255 HydrophobicContact CB-CD1 3.82Å; E251-L255 HydrophobicContact CB-CG 4.22Å; E251-L255 WeakPolarHBondContact O-CG 3.48Å; E251-L255 PolarHBondContact O-N 3.46Å; T252-L255 PolarHBondContact O-N 3.07Å
256	S	78.4	Confident	86.5	Confident	16 Å²	16	45.6 Å²	45.6	11%	0.112	25%	0.252	C	S	.	.	S	Bend	trans	-147.3	-161.9	-174.2	-164.6	0	0	0	0	111.5	N188 F191 D192 T252 P258	N188-S256 WeakPolarHBondContact O-CB 3.25Å; N188-S256 PolarHBondContact O-OG 3.02Å; N188-S256 VanDerWaalsContact O-OG 3.1Å; F191-S256 PolarHBondContact O-OG 2.86Å; D192-S256 VanDerWaalsContact CA-OG 3.22Å; D192-S256 WeakPolarHBondContact CA-OG 3.4Å; D192-S256 PolarHBondContact N-OG 2.84Å; D192-S256 PolarHBondContact OD1-OG 2.79Å; T252-S256 PolarHBondContact O-N 3Å; S256-P258 WeakPolarHBondContact O-CD 3.4Å
257	Q	81.1	Confident	86.5	Confident	135 Å²	135	45.8 Å²	45.8	63%	0.631	25%	0.253	S	S	*	.			trans	-119.9	50.2	-171.1	-59	-175.9	70.3	0	0	114	F191 D192 G194 G259	F191-Q257 CarbonylContact O-C 3.57Å; F191-Q257 PolarHBondContact O-N 2.75Å; D192-Q257 PolarHBondContact O-NE2 3.21Å; G194-Q257 WeakPolarHBondContact CA-O 3.2Å; Q257-G259 PolarHBondContact O-N 3.13Å
258	P	81.2	Confident	86.4	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.032	26%	0.26	C	S	.	.			trans	-67.4	-9.6	-177.9	30.9	-37.4	0	0	0	114.5	F191 V195 T252 P253 S256 L262 F264	F191-P258 HydrophobicContact CB-CB 4.2Å; F191-P258 HydrophobicContact CD1-CB 3.84Å; F191-P258 HydrophobicContact CE1-CB 4.48Å; F191-P258 HydrophobicContact CG-CB 4.05Å; V195-P258 WeakPolarHBondContact CG2-O 3.4Å; T252-P258 HydrophobicContact CG2-CG 4.22Å; P253-P258 HydrophobicContact CB-CG 4.18Å; P253-P258 HydrophobicContact CG-CG 4.16Å; S256-P258 WeakPolarHBondContact O-CD 3.4Å; P258-L262 HydrophobicContact CB-CD1 4.07Å; P258-F264 HydrophobicContact CB-CE2 3.62Å; P258-F264 HydrophobicContact CB-CZ 3.75Å; P258-F264 HydrophobicContact CG-CE2 3.81Å; P258-F264 HydrophobicContact CG-CZ 4.18Å
259	G	82.3	Confident	86.5	Confident	45 Å²	45	50.9 Å²	50.9	46%	0.464	29%	0.288	S	S	.	.			trans	76.5	-179.6	-176.5	0	0	0	0	0	113.4	Q257	Q257-G259 PolarHBondContact O-N 3.13Å
260	P	89.3	Confident	87	Confident	116 Å²	116	51.3 Å²	51.3	75%	0.753	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.5	-172.5	34.4	-36.2	0	0	0	114.1
261	H	94.1	Very high	87.4	Confident	72 Å²	72	44.8 Å²	44.8	33%	0.333	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	3.4	-170.2	-62.5	-61.3	0	0	0	113.9	P217 D218 L221	P217-H261 WeakPolarHBondContact CA-O 3.44Å; D218-H261 PolarHBondContact N-O 3.37Å; D218-H261 IonicContact OD1-CG 2.76Å; D218-H261 IonicContact OD1-ND1 3.23Å; D218-H261 IonicContact OD2-CE1 3.57Å; D218-H261 IonicContact OD2-CG 3.68Å; D218-H261 IonicContact OD2-ND1 4Å; D218-H261 PolarHBondContact OD2-ND1 2.93Å; L221-H261 HydrophobicContact CD1-CB 3.55Å; L221-H261 HydrophobicContact CG-CB 3.81Å
262	L	92.3	Very high	88.2	Confident	13 Å²	13	42.4 Å²	42.4	7%	0.068	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.1	178.9	-61.1	-174.8	0	0	0	109.9	F191 V195 I215 P217 L221 F225 P258 F264	F191-L262 HydrophobicContact CD1-CD1 4.23Å; F191-L262 HydrophobicContact CE1-CD1 3.66Å; F191-L262 HydrophobicContact CZ-CD1 4.47Å; V195-L262 HydrophobicContact CG2-CD1 3.67Å; V195-L262 HydrophobicContact CG2-CG 4.37Å; I215-L262 HydrophobicContact CG2-CD1 4.48Å; I215-L262 HydrophobicContact CG2-CD2 4.23Å; P217-L262 HydrophobicContact CB-CD2 3.77Å; L221-L262 HydrophobicContact CB-CD2 4.4Å; L221-L262 HydrophobicContact CD1-CD2 3.62Å; L221-L262 HydrophobicContact CD1-CG 3.91Å; F225-L262 HydrophobicContact CD1-CD1 4.2Å; F225-L262 HydrophobicContact CD1-CD2 3.73Å; F225-L262 HydrophobicContact CE1-CD1 3.75Å; F225-L262 HydrophobicContact CE1-CD2 3.91Å; F225-L262 HydrophobicContact CZ-CD1 4.4Å; P258-L262 HydrophobicContact CB-CD1 4.07Å; L262-F264 HydrophobicContact CB-CD2 4.38Å; L262-F264 HydrophobicContact CB-CE2 3.74Å; L262-F264 HydrophobicContact CB-CZ 4.48Å; L262-F264 HydrophobicContact CD1-CE2 4.42Å; L262-F264 HydrophobicContact CD1-CZ 4.42Å
263	D	91.2	Very high	89.1	Confident	73 Å²	73	46 Å²	46	39%	0.39	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.2	172.2	-173	14.3	0	0	0	109.7	R216 L265	R216-D263 HydrophobicContact CB-CB 4.37Å; R216-D263 IonicContact CZ-OD2 3.92Å; R216-D263 PolarHBondContact N-O 3.29Å; R216-D263 IonicContact NE-OD2 2.79Å; R216-D263 IonicContact NH2-OD2 3.86Å; R216-D263 PolarHBondContact NH2-OD2 2.82Å; R216-D263 PolarHBondContact O-N 2.68Å; D263-L265 VanDerWaalsContact OD2-CD2 3.27Å; D263-L265 WeakPolarHBondContact OD2-CD2 3.31Å
264	F	93.1	Very high	90.1	Very high	11 Å²	11	43.5 Å²	43.5	5%	0.048	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	98.8	179.5	-67.6	-108.5	0	0	0	108.7	F191 I215 T248 T252 P253 P258 L262	F191-F264 HydrophobicContact CD2-CZ 4.41Å; F191-F264 HydrophobicContact CE1-CZ 4.38Å; F191-F264 HydrophobicContact CE2-CE1 4.09Å; F191-F264 HydrophobicContact CE2-CZ 4.05Å; F191-F264 HydrophobicContact CZ-CE1 4.34Å; F191-F264 HydrophobicContact CZ-CZ 4.05Å; I215-F264 HydrophobicContact CD1-CD1 4.21Å; I215-F264 HydrophobicContact CD1-CE1 3.61Å; I215-F264 HydrophobicContact CD1-CZ 4.21Å; I215-F264 HydrophobicContact CG1-CD1 3.74Å; I215-F264 HydrophobicContact CG1-CE1 3.63Å; I215-F264 HydrophobicContact CG1-CG 4.48Å; I215-F264 HydrophobicContact CG1-CZ 4.3Å; T248-F264 HydrophobicContact CG2-CD1 4.24Å; T248-F264 HydrophobicContact CG2-CE1 3.93Å; T252-F264 HydrophobicContact CG2-CD1 4.44Å; T252-F264 HydrophobicContact CG2-CE1 3.67Å; T252-F264 HydrophobicContact CG2-CE2 4.39Å; T252-F264 HydrophobicContact CG2-CZ 3.64Å; P253-F264 HydrophobicContact CG-CD2 3.63Å; P253-F264 HydrophobicContact CG-CE2 4.08Å; P253-F264 HydrophobicContact CG-CG 4.3Å; P258-F264 HydrophobicContact CB-CE2 3.62Å; P258-F264 HydrophobicContact CB-CZ 3.75Å; P258-F264 HydrophobicContact CG-CE2 3.81Å; P258-F264 HydrophobicContact CG-CZ 4.18Å; L262-F264 HydrophobicContact CB-CD2 4.38Å; L262-F264 HydrophobicContact CB-CE2 3.74Å; L262-F264 HydrophobicContact CB-CZ 4.48Å; L262-F264 HydrophobicContact CD1-CE2 4.42Å; L262-F264 HydrophobicContact CD1-CZ 4.42Å
265	L	94.9	Very high	91.7	Very high	53 Å²	53	41.2 Å²	41.2	28%	0.277	24%	0.244	S	C	.	.			trans	-73.8	162.5	-175	-54.9	178.7	0	0	0	111.7	N214 R216 D263 E267 A270	N214-L265 HydrophobicContact CB-CB 4.22Å; N214-L265 PolarHBondContact ND2-O 2.7Å; N214-L265 WeakPolarHBondContact O-CB 3.4Å; N214-L265 PolarHBondContact O-N 2.93Å; R216-L265 HydrophobicContact CB-CD1 4.32Å; D263-L265 VanDerWaalsContact OD2-CD2 3.27Å; D263-L265 WeakPolarHBondContact OD2-CD2 3.31Å; L265-E267 PolarHBondContact O-N 3.04Å; L265-A270 HydrophobicContact CB-CB 4.37Å
266	D	96.3	Very high	93.2	Very high	51 Å²	51	42.6 Å²	42.6	27%	0.273	25%	0.252	S	S	.	.			trans	-55.9	128	168.8	177.6	-99.8	0	0	0	111	R250 V268 S269 A270	R250-D266 IonicContact NH1-OD2 2.95Å; D266-V268 PolarHBondContact OD1-N 2.99Å; D266-S269 PolarHBondContact O-N 3.42Å; D266-S269 VanDerWaalsContact OD1-CB 3.29Å; D266-S269 WeakPolarHBondContact OD1-CB 3.27Å; D266-S269 PolarHBondContact OD1-N 3.25Å; D266-S269 PolarHBondContact OD1-OG 3.32Å; D266-A270 VanDerWaalsContact O-CB 3.27Å; D266-A270 WeakPolarHBondContact O-CB 3.43Å; D266-A270 PolarHBondContact O-N 3.04Å
267	E	97.9	Very high	94.2	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.019	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-49.7	-170.7	-64.1	86.6	161.3	0	0	111.7	Y247 R250 L265 S269 A270 L271 S292 I296 I300	Y247-E267 HydrophobicContact CD2-CG 4.17Å; R250-E267 PolarHBondContact N-OE1 2.82Å; R250-E267 VanDerWaalsContact N-OE1 3.11Å; L265-E267 PolarHBondContact O-N 3.04Å; E267-S269 PolarHBondContact O-N 3.02Å; E267-A270 PolarHBondContact O-N 3.06Å; E267-L271 WeakPolarHBondContact O-CB 3.43Å; E267-L271 WeakPolarHBondContact O-CD1 3.46Å; E267-L271 PolarHBondContact O-N 3.07Å; E267-S292 WeakPolarHBondContact CG-OG 2.88Å; E267-S292 WeakPolarHBondContact OE1-CB 3.45Å; E267-S292 PolarHBondContact OE1-OG 3.38Å; E267-I296 HydrophobicContact CB-CG2 4.21Å; E267-I296 HydrophobicContact CG-CG2 4.15Å; E267-I300 HydrophobicContact CB-CD1 4.03Å; E267-I300 HydrophobicContact CB-CG1 4.48Å
268	V	97.4	Very high	95	Very high	22 Å²	22	40.7 Å²	40.7	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-47	-178.1	175.4	0	0	0	0	110.6	D266 A270 L271 Q272 L299 I300 K303 V304	D266-V268 PolarHBondContact OD1-N 2.99Å; V268-A270 VanDerWaalsContact C-N 3.32Å; V268-A270 PolarHBondContact O-N 2.91Å; V268-L271 PolarHBondContact O-N 3.25Å; V268-Q272 PolarHBondContact O-N 3.4Å; V268-L299 HydrophobicContact CG2-CD2 4.17Å; V268-L299 HydrophobicContact CG2-CG 4.04Å; V268-I300 HydrophobicContact CG2-CG1 4.05Å; V268-K303 HydrophobicContact CG1-CB 3.71Å; V268-K303 HydrophobicContact CG1-CD 4.32Å; V268-V304 HydrophobicContact CB-CG2 4.39Å; V268-V304 HydrophobicContact CG1-CG2 3.99Å
269	S	97.6	Very high	95.7	Very high	86 Å²	86	44.8 Å²	44.8	60%	0.601	26%	0.258	S	S	*	.	H	α-helix	trans	-66.5	-33.7	-178.4	-54.2	0	0	0	0	112.5	D266 E267 P273	D266-S269 PolarHBondContact O-N 3.42Å; D266-S269 VanDerWaalsContact OD1-CB 3.29Å; D266-S269 WeakPolarHBondContact OD1-CB 3.27Å; D266-S269 PolarHBondContact OD1-N 3.25Å; D266-S269 PolarHBondContact OD1-OG 3.32Å; E267-S269 PolarHBondContact O-N 3.02Å; S269-P273 VanDerWaalsContact O-CD 3.29Å; S269-P273 WeakPolarHBondContact O-CD 3.16Å
270	A	98.1	Very high	96.5	Very high	13 Å²	13	48.7 Å²	48.7	11%	0.107	27%	0.273	C	S	.	.	H	α-helix	trans	-77.9	-32.5	177.5	0	0	0	0	0	113	N214 L265 D266 E267 V268 P273	N214-A270 HydrophobicContact CB-CB 3.41Å; N214-A270 VanDerWaalsContact CB-CB 3.41Å; L265-A270 HydrophobicContact CB-CB 4.37Å; D266-A270 VanDerWaalsContact O-CB 3.27Å; D266-A270 WeakPolarHBondContact O-CB 3.43Å; D266-A270 PolarHBondContact O-N 3.04Å; E267-A270 PolarHBondContact O-N 3.06Å; V268-A270 VanDerWaalsContact C-N 3.32Å; V268-A270 PolarHBondContact O-N 2.91Å; A270-P273 WeakPolarHBondContact O-CG 3.17Å
271	L	98.7	Very high	96.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-75.3	-44.2	-176.2	-97.1	65.3	0	0	0	112.6	A213 V245 Y247 E267 V268 V274 V275 A288 I300 V304	A213-L271 HydrophobicContact CB-CD1 4.12Å; V245-L271 HydrophobicContact CG1-CD2 4.31Å; V245-L271 HydrophobicContact CG1-CG 4.47Å; V245-L271 HydrophobicContact CG2-CG 4.03Å; Y247-L271 HydrophobicContact CD1-CD1 4.47Å; Y247-L271 HydrophobicContact CD1-CD2 3.82Å; Y247-L271 HydrophobicContact CE1-CD2 4.46Å; Y247-L271 HydrophobicContact CG-CD1 4.38Å; Y247-L271 HydrophobicContact CG-CD2 4.41Å; E267-L271 WeakPolarHBondContact O-CB 3.43Å; E267-L271 WeakPolarHBondContact O-CD1 3.46Å; E267-L271 PolarHBondContact O-N 3.07Å; V268-L271 PolarHBondContact O-N 3.25Å; L271-V274 WeakPolarHBondContact O-CA 3.48Å; L271-V274 WeakPolarHBondContact O-CB 3.43Å; L271-V274 PolarHBondContact O-N 3.25Å; L271-V275 WeakPolarHBondContact O-CG2 3.18Å; L271-V275 PolarHBondContact O-N 2.85Å; L271-A288 HydrophobicContact CD2-CB 4.13Å; L271-I300 HydrophobicContact CD2-CD1 4.27Å; L271-I300 HydrophobicContact CD2-CG2 3.86Å; L271-V304 HydrophobicContact CB-CG1 4.08Å; L271-V304 HydrophobicContact CB-CG2 4.07Å
272	Q	98.6	Very high	97	Very high	24 Å²	24	45.6 Å²	45.6	11%	0.112	26%	0.263	C	S	.	.	H	α-helix	trans	-49.5	-52.3	-174.6	-169.9	66.1	66.9	0	0	114	V268 V274 V275 D276 R305	V268-Q272 PolarHBondContact O-N 3.4Å; Q272-V274 PolarHBondContact O-N 2.93Å; Q272-V275 PolarHBondContact O-N 3.06Å; Q272-V275 VanDerWaalsContact O-N 3.15Å; Q272-D276 PolarHBondContact NE2-OD1 2.76Å; Q272-D276 PolarHBondContact O-N 2.77Å; Q272-R305 PolarHBondContact NE2-O 3.31Å
273	P	98.6	Very high	97.3	Very high	75 Å²	75	45.1 Å²	45.1	49%	0.487	26%	0.26	S	S	.	.	H	α-helix	trans	-65.1	-25.8	-179.5	26.2	-35.9	0	0	0	113.5	S269 A270 K277	S269-P273 VanDerWaalsContact O-CD 3.29Å; S269-P273 WeakPolarHBondContact O-CD 3.16Å; A270-P273 WeakPolarHBondContact O-CG 3.17Å; P273-K277 WeakPolarHBondContact O-CB 3.16Å; P273-K277 PolarHBondContact O-N 3.11Å
274	V	98.7	Very high	97.6	Very high	19 Å²	19	44.5 Å²	44.5	12%	0.115	26%	0.257	C	S	.	.	H	α-helix	trans	-74.6	-39.8	175.8	179.3	0	0	0	0	110.8	A213 P231 Y232 V245 L271 Q272 K277 L278	A213-V274 HydrophobicContact CB-CG2 4.08Å; P231-V274 HydrophobicContact CB-CG1 4.33Å; P231-V274 HydrophobicContact CB-CG2 4.14Å; Y232-V274 HydrophobicContact CD1-CG1 3.4Å; Y232-V274 HydrophobicContact CE1-CG1 4.22Å; Y232-V274 HydrophobicContact CG-CG1 3.97Å; V245-V274 HydrophobicContact CB-CG1 4.38Å; V245-V274 HydrophobicContact CG2-CB 4.08Å; V245-V274 HydrophobicContact CG2-CG1 3.66Å; L271-V274 WeakPolarHBondContact O-CA 3.48Å; L271-V274 WeakPolarHBondContact O-CB 3.43Å; L271-V274 PolarHBondContact O-N 3.25Å; Q272-V274 PolarHBondContact O-N 2.93Å; V274-K277 WeakPolarHBondContact O-CB 3.49Å; V274-K277 PolarHBondContact O-N 2.76Å; V274-L278 PolarHBondContact O-N 3.05Å
275	V	98.6	Very high	97.8	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.2	-46.1	175	179.5	0	0	0	0	110.8	V245 L271 Q272 K277 L278 E279 V286 V304 R305 V307	V245-V275 HydrophobicContact CG1-CG2 4.14Å; L271-V275 WeakPolarHBondContact O-CG2 3.18Å; L271-V275 PolarHBondContact O-N 2.85Å; Q272-V275 PolarHBondContact O-N 3.06Å; Q272-V275 VanDerWaalsContact O-N 3.15Å; V275-K277 PolarHBondContact O-N 2.89Å; V275-L278 WeakPolarHBondContact O-CA 3.36Å; V275-L278 WeakPolarHBondContact O-CB 3.44Å; V275-L278 PolarHBondContact O-N 2.82Å; V275-E279 PolarHBondContact O-N 3.29Å; V275-V286 HydrophobicContact CG1-CG1 4.29Å; V275-V286 HydrophobicContact CG1-CG2 4.48Å; V275-V286 HydrophobicContact CG2-CG1 4.14Å; V275-V304 HydrophobicContact CB-CG1 4.34Å; V275-V304 HydrophobicContact CG2-CG1 3.82Å; V275-R305 WeakPolarHBondContact CG1-O 3.21Å; V275-V307 HydrophobicContact CG2-CG2 3.94Å
276	D	98.6	Very high	98	Very high	62 Å²	62	41.5 Å²	41.5	33%	0.332	24%	0.242	S	C	.	.	H	α-helix	trans	-56.7	-37	175.2	-61.4	-14.2	0	0	0	111.5	Q272 T280	Q272-D276 PolarHBondContact NE2-OD1 2.76Å; Q272-D276 PolarHBondContact O-N 2.77Å; D276-T280 PolarHBondContact O-N 2.81Å; D276-T280 PolarHBondContact O-OG1 2.82Å
277	K	98.6	Very high	98.1	Very high	111 Å²	111	39.1 Å²	39.1	48%	0.483	23%	0.229	S	C	.	.	H	α-helix	trans	-67.3	-42.5	174.9	-178.5	-179.3	179.6	-173.6	0	112	Y232 P273 V274 V275 E279 T280 L281	Y232-K277 HydrophobicContact CE1-CD 4.11Å; Y232-K277 VanDerWaalsContact OH-CE 3.26Å; Y232-K277 WeakPolarHBondContact OH-CE 3.27Å; Y232-K277 PolarHBondContact OH-NZ 3.36Å; P273-K277 WeakPolarHBondContact O-CB 3.16Å; P273-K277 PolarHBondContact O-N 3.11Å; V274-K277 WeakPolarHBondContact O-CB 3.49Å; V274-K277 PolarHBondContact O-N 2.76Å; V275-K277 PolarHBondContact O-N 2.89Å; K277-E279 VanDerWaalsContact C-N 3.33Å; K277-T280 PolarHBondContact O-N 2.72Å; K277-L281 HydrophobicContact CG-CD1 4.38Å; K277-L281 WeakPolarHBondContact O-CG 3.49Å; K277-L281 PolarHBondContact O-N 2.83Å
278	L	98.6	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-44.3	175.9	-77.8	171.4	0	0	0	111.2	Y232 I234 V274 V275 T280 L281 G282 V283 V286	Y232-L278 HydrophobicContact CD2-CD2 3.42Å; Y232-L278 VanDerWaalsContact CD2-CD2 3.42Å; Y232-L278 HydrophobicContact CD2-CG 4.14Å; Y232-L278 HydrophobicContact CE2-CD2 3.58Å; Y232-L278 HydrophobicContact CE2-CG 4.43Å; Y232-L278 HydrophobicContact CG-CD1 4.47Å; Y232-L278 HydrophobicContact CG-CD2 4.11Å; Y232-L278 HydrophobicContact CG-CG 4.36Å; I234-L278 HydrophobicContact CD1-CD2 3.91Å; I234-L278 HydrophobicContact CG1-CD2 3.63Å; V274-L278 PolarHBondContact O-N 3.05Å; V275-L278 WeakPolarHBondContact O-CA 3.36Å; V275-L278 WeakPolarHBondContact O-CB 3.44Å; V275-L278 PolarHBondContact O-N 2.82Å; L278-T280 PolarHBondContact O-N 2.97Å; L278-L281 CarbonylContact O-C 3.56Å; L278-L281 WeakPolarHBondContact O-CA 3.34Å; L278-L281 WeakPolarHBondContact O-CB 3.46Å; L278-L281 PolarHBondContact O-N 3.23Å; L278-L281 VanDerWaalsContact O-N 3.11Å; L278-G282 PolarHBondContact O-N 2.69Å; L278-V283 HydrophobicContact CB-CB 4.22Å; L278-V283 HydrophobicContact CD2-CB 4.41Å; L278-V283 HydrophobicContact CD2-CG2 4.22Å; L278-V283 WeakPolarHBondContact O-CB 3.3Å; L278-V283 PolarHBondContact O-N 2.86Å; L278-V286 HydrophobicContact CB-CG2 4.43Å; L278-V286 HydrophobicContact CD1-CG1 4.02Å; L278-V286 HydrophobicContact CD1-CG2 4.29Å
279	E	96.8	Very high	98.3	Very high	91 Å²	91	37.9 Å²	37.9	43%	0.425	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-43.4	175.6	-68	-178.6	166.4	0	0	111.7	V275 K277 L281 G282 G306	V275-E279 PolarHBondContact O-N 3.29Å; K277-E279 VanDerWaalsContact C-N 3.33Å; E279-L281 PolarHBondContact O-N 3.09Å; E279-G282 VanDerWaalsContact O-CA 3.3Å; E279-G282 WeakPolarHBondContact O-CA 3.35Å; E279-G282 PolarHBondContact O-N 3.35Å; E279-G306 WeakPolarHBondContact OE1-CA 3.48Å
280	T	98.1	Very high	98.3	Very high	126 Å²	126	33.8 Å²	33.8	77%	0.773	19%	0.193	S	C	*	.	H	α-helix	trans	-61.9	-30	175.8	-57.5	0	0	0	0	112.4	D276 K277 L278 G282	D276-T280 PolarHBondContact O-N 2.81Å; D276-T280 PolarHBondContact O-OG1 2.82Å; K277-T280 PolarHBondContact O-N 2.72Å; L278-T280 PolarHBondContact O-N 2.97Å; T280-G282 PolarHBondContact O-N 3.23Å
281	L	97.9	Very high	98.3	Very high	79 Å²	79	33.2 Å²	33.2	41%	0.414	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	1	172.8	-65.6	171.2	0	0	0	113	I234 R241 K277 L278 E279	I234-L281 HydrophobicContact CD1-CD1 4.15Å; R241-L281 PolarHBondContact NH1-O 3.16Å; R241-L281 PolarHBondContact NH2-O 3.28Å; K277-L281 HydrophobicContact CG-CD1 4.38Å; K277-L281 WeakPolarHBondContact O-CG 3.49Å; K277-L281 PolarHBondContact O-N 2.83Å; L278-L281 CarbonylContact O-C 3.56Å; L278-L281 WeakPolarHBondContact O-CA 3.34Å; L278-L281 WeakPolarHBondContact O-CB 3.46Å; L278-L281 PolarHBondContact O-N 3.23Å; L278-L281 VanDerWaalsContact O-N 3.11Å; E279-L281 PolarHBondContact O-N 3.09Å
282	G	97.1	Very high	98	Very high	45 Å²	45	33.7 Å²	33.7	46%	0.464	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	21.1	-178.9	0	0	0	0	0	113.8	R241 L278 E279 T280	R241-G282 PolarHBondContact NH2-O 3.1Å; L278-G282 PolarHBondContact O-N 2.69Å; E279-G282 VanDerWaalsContact O-CA 3.3Å; E279-G282 WeakPolarHBondContact O-CA 3.35Å; E279-G282 PolarHBondContact O-N 3.35Å; T280-G282 PolarHBondContact O-N 3.23Å
283	V	98.3	Very high	97.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	19%	0.187	C	C	.	.			trans	-84.8	121.2	172.6	-179.5	0	0	0	0	107.7	I234 R241 L278 V286	I234-V283 HydrophobicContact CD1-CG2 3.7Å; I234-V283 HydrophobicContact CG1-CG2 4.04Å; I234-V283 HydrophobicContact CG2-CG2 4.12Å; R241-V283 HydrophobicContact CB-CG2 4.42Å; L278-V283 HydrophobicContact CB-CB 4.22Å; L278-V283 HydrophobicContact CD2-CB 4.41Å; L278-V283 HydrophobicContact CD2-CG2 4.22Å; L278-V283 WeakPolarHBondContact O-CB 3.3Å; L278-V283 PolarHBondContact O-N 2.86Å; V283-V286 HydrophobicContact CG1-CG2 4.44Å
284	N	96.6	Very high	97.3	Very high	60 Å²	60	30.1 Å²	30.1	32%	0.321	17%	0.169	S	C	.	.			trans	-116.3	13.8	-177.1	68.6	-4.5	0	0	0	113.4	D367 G368 G369	N284-D367 PolarHBondContact ND2-O 3.46Å; N284-G368 PolarHBondContact ND2-O 2.76Å; N284-G368 VanDerWaalsContact ND2-O 3.13Å; N284-G369 WeakPolarHBondContact O-CA 3.11Å
285	K	98.5	Very high	97.1	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	20%	0.196	C	C	.	.			trans	-132.6	107.8	174.6	-51.1	-176.2	-157.1	-44.1	0	107.2	W98 V242 G243 D308 F365 D366	W98-K285 HydrophobicContact CE3-CD 3.75Å; W98-K285 HydrophobicContact CZ3-CD 3.61Å; V242-K285 HydrophobicContact CG2-CB 4.45Å; G243-K285 PolarHBondContact N-O 3.44Å; K285-D308 VanDerWaalsContact CA-OD2 3.3Å; K285-D308 WeakPolarHBondContact CA-OD2 3.32Å; K285-F365 HydrophobicContact CB-CE1 4.24Å; K285-F365 HydrophobicContact CB-CZ 4.49Å; K285-F365 HydrophobicContact CD-CB 4.14Å; K285-F365 HydrophobicContact CD-CD1 4.12Å; K285-F365 HydrophobicContact CD-CD2 4.08Å; K285-F365 HydrophobicContact CD-CE2 4.5Å; K285-F365 HydrophobicContact CD-CG 3.86Å; K285-F365 HydrophobicContact CG-CD1 4.09Å; K285-F365 HydrophobicContact CG-CE1 4.3Å; K285-F365 HydrophobicContact CG-CG 4.35Å; K285-D366 PolarHBondContact NZ-O 2.9Å
286	V	98.8	Very high	97	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.4	-172.4	-176	0	0	0	0	111.1	G243 V245 V275 L278 V283 G306 D308 V309	G243-V286 CarbonylContact O-C 3.57Å; G243-V286 WeakPolarHBondContact O-CA 3.46Å; V245-V286 HydrophobicContact CG1-CG1 4.18Å; V275-V286 HydrophobicContact CG1-CG1 4.29Å; V275-V286 HydrophobicContact CG1-CG2 4.48Å; V275-V286 HydrophobicContact CG2-CG1 4.14Å; L278-V286 HydrophobicContact CB-CG2 4.43Å; L278-V286 HydrophobicContact CD1-CG1 4.02Å; L278-V286 HydrophobicContact CD1-CG2 4.29Å; V283-V286 HydrophobicContact CG1-CG2 4.44Å; V286-G306 WeakPolarHBondContact CB-O 3.26Å; V286-D308 PolarHBondContact N-OD2 3.2Å; V286-D308 WeakPolarHBondContact O-CB 3.34Å; V286-D308 PolarHBondContact O-N 2.89Å; V286-V309 PolarHBondContact O-N 3.46Å
287	I	98.9	Very high	96.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.2	175.7	-56.8	165.3	0	0	0	107.7	L100 L102 L150 L152 V242 G243 V244 V245 V309 I311	L100-I287 HydrophobicContact CD2-CD1 4.12Å; L102-I287 HydrophobicContact CD1-CD1 3.93Å; L102-I287 HydrophobicContact CD1-CG1 4.37Å; L102-I287 HydrophobicContact CD2-CD1 3.47Å; L102-I287 VanDerWaalsContact CD2-CD1 3.47Å; L102-I287 HydrophobicContact CG-CD1 4.35Å; L150-I287 HydrophobicContact CD1-CD1 4.37Å; L152-I287 HydrophobicContact CD1-CD1 4.47Å; L152-I287 HydrophobicContact CD1-CG2 4.35Å; V242-I287 HydrophobicContact CG1-CD1 3.57Å; V242-I287 HydrophobicContact CG1-CG1 4.13Å; G243-I287 PolarHBondContact O-N 2.74Å; V244-I287 CarbonylContact C-O 3.58Å; V244-I287 VanDerWaalsContact CA-O 3.32Å; V244-I287 WeakPolarHBondContact CA-O 3.41Å; V244-I287 HydrophobicContact CG2-CB 4.34Å; V244-I287 HydrophobicContact CG2-CD1 4.29Å; V245-I287 PolarHBondContact N-O 2.88Å; I287-V309 WeakPolarHBondContact CA-O 3.26Å; I287-V309 HydrophobicContact CG1-CB 4.32Å; I287-V309 HydrophobicContact CG2-CB 4.41Å; I287-I311 HydrophobicContact CG2-CD1 4.05Å; I287-I311 HydrophobicContact CG2-CG1 4.18Å
288	A	98.9	Very high	96.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	118.7	163.8	0	0	0	0	0	108.4	V245 Y247 L271 I300 V307 V309 V310 I311	V245-A288 HydrophobicContact CG1-CB 4.12Å; Y247-A288 HydrophobicContact CD1-CB 4.42Å; Y247-A288 HydrophobicContact CE1-CB 3.91Å; L271-A288 HydrophobicContact CD2-CB 4.13Å; A288-I300 HydrophobicContact CB-CG2 3.99Å; A288-V307 HydrophobicContact CB-CG1 3.85Å; A288-V307 HydrophobicContact CB-CG2 4.26Å; A288-V309 PolarHBondContact N-O 3.06Å; A288-V310 HydrophobicContact CB-CG2 4.22Å; A288-V310 CarbonylContact O-C 3.56Å; A288-V310 WeakPolarHBondContact O-CA 3.16Å; A288-I311 PolarHBondContact O-N 3.4Å
289	L	98.9	Very high	96.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.3	175.5	179.1	65.4	0	0	0	107.2	L152 A154 A183 V185 V244 V245 G246 Y247 I311	L152-L289 HydrophobicContact CB-CD1 4.02Å; L152-L289 HydrophobicContact CB-CD2 4.02Å; L152-L289 HydrophobicContact CD2-CD2 4.32Å; A154-L289 HydrophobicContact CB-CD1 3.89Å; A183-L289 HydrophobicContact CB-CD2 4.43Å; V185-L289 HydrophobicContact CG1-CB 4.12Å; V185-L289 HydrophobicContact CG1-CD2 3.92Å; V185-L289 HydrophobicContact CG1-CG 3.71Å; V185-L289 WeakPolarHBondContact CG1-O 3.35Å; V185-L289 HydrophobicContact CG2-CG 4.37Å; V244-L289 HydrophobicContact CG1-CB 3.78Å; V244-L289 HydrophobicContact CG1-CD2 4.09Å; V245-L289 PolarHBondContact O-N 3.15Å; G246-L289 CarbonylContact C-O 3.58Å; G246-L289 VanDerWaalsContact CA-O 3.22Å; G246-L289 WeakPolarHBondContact CA-O 3.2Å; Y247-L289 WeakPolarHBondContact CD1-O 3.44Å; Y247-L289 WeakPolarHBondContact CE1-O 3.41Å; Y247-L289 PolarHBondContact N-O 2.94Å; L289-I311 WeakPolarHBondContact CA-O 3.45Å; L289-I311 HydrophobicContact CD1-CB 3.84Å; L289-I311 HydrophobicContact CD1-CG2 3.79Å
290	G	98.1	Very high	97	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	178.8	179.8	0	0	0	0	0	117.5	Y247 I311 G312 G313	Y247-G290 VanDerWaalsContact CE1-CA 3.47Å; Y247-G290 VanDerWaalsContact CZ-CA 3.41Å; Y247-G290 CarbonylContact O-C 3.55Å; Y247-G290 WeakPolarHBondContact O-CA 3.41Å; G290-I311 PolarHBondContact N-O 3.02Å; G290-G312 CarbonylContact O-C 3.56Å; G290-G312 VanDerWaalsContact O-CA 3.25Å; G290-G312 WeakPolarHBondContact O-CA 3.34Å; G290-G313 PolarHBondContact O-N 2.75Å; G290-G313 VanDerWaalsContact O-N 3.12Å
291	H	97.5	Very high	97.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	68	-167.5	-163.7	93.2	0	0	0	111.5	D107 A154 D156 V185 G187 N188 Y247 S249 H314	D107-H291 IonicContact OD1-CE1 3.85Å; D107-H291 PolarHBondContact OD1-CE1 3.22Å; D107-H291 IonicContact OD2-CE1 3.06Å; A154-H291 WeakPolarHBondContact O-CB 3.36Å; A154-H291 PolarHBondContact O-ND1 3.1Å; D156-H291 VanDerWaalsContact CB-CE1 3.44Å; D156-H291 WeakPolarHBondContact CB-CE1 3.16Å; D156-H291 IonicContact OD1-CE1 2.59Å; D156-H291 IonicContact OD1-NE2 2.77Å; D156-H291 PolarHBondContact OD1-NE2 3.2Å; D156-H291 IonicContact OD2-CE1 3.32Å; D156-H291 PolarHBondContact OD2-CE1 2.91Å; D156-H291 VanDerWaalsContact OD2-CE1 3.24Å; D156-H291 IonicContact OD2-NE2 3.86Å; D156-H291 PolarHBondContact OD2-NE2 2.82Å; D156-H291 VanDerWaalsContact OD2-NE2 3.08Å; V185-H291 HydrophobicContact CG2-CB 4.37Å; G187-H291 WeakPolarHBondContact CA-CD2 3.45Å; N188-H291 PolarHBondContact OD1-NE2 2.83Å; Y247-H291 PolarHBondContact O-N 2.81Å; S249-H291 WeakPolarHBondContact CA-O 3.41Å; S249-H291 WeakPolarHBondContact CB-O 3.44Å; S249-H291 PolarHBondContact N-O 2.89Å; H291-H314 VanDerWaalsContact CD2-CB 3.5Å; H291-H314 WeakPolarHBondContact CD2-CB 3.33Å; H291-H314 AromaticContact CD2-CG 3.8Å; H291-H314 AromaticContact CD2-ND1 3.6Å; H291-H314 WeakPolarHBondContact CE1-CA 3.34Å; H291-H314 PolarHBondContact CE1-N 3.36Å; H291-H314 PolarHBondContact ND1-N 3.09Å; H291-H314 VanDerWaalsContact NE2-CA 3.26Å; H291-H314 WeakPolarHBondContact NE2-CA 3.03Å; H291-H314 VanDerWaalsContact NE2-CB 3.29Å; H291-H314 WeakPolarHBondContact NE2-CB 3.42Å; H291-H314 AromaticContact NE2-CG 3.6Å; H291-H314 AromaticContact NE2-ND1 3.2Å; H291-H314 PolarHBondContact NE2-ND1 2.78Å; H291-H314 VanDerWaalsContact NE2-ND1 3.2Å
292	S	92.4	Very high	97.1	Very high	10 Å²	10	27.2 Å²	27.2	7%	0.07	15%	0.145	C	C	.	.	S	Bend	trans	-129.4	3.7	179.3	-61.8	0	0	0	0	114	Y247 S249 E267 I296	Y247-S292 WeakPolarHBondContact CD2-OG 3.35Å; S249-S292 VanDerWaalsContact CA-OG 3.27Å; S249-S292 WeakPolarHBondContact CA-OG 3.42Å; S249-S292 PolarHBondContact N-OG 2.82Å; E267-S292 WeakPolarHBondContact CG-OG 2.88Å; E267-S292 WeakPolarHBondContact OE1-CB 3.45Å; E267-S292 PolarHBondContact OE1-OG 3.38Å; S292-I296 WeakPolarHBondContact O-CG1 3.34Å
293	G	89.5	Confident	97.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	14%	0.141	C	C	.	.			trans	86.8	154.3	177.2	0	0	0	0	0	114.1	T295 I296 D297 G313 T315	G293-T295 PolarHBondContact O-N 3.14Å; G293-I296 PolarHBondContact O-N 3.11Å; G293-D297 VanDerWaalsContact C-OD2 3.27Å; G293-D297 PolarHBondContact O-N 2.79Å; G293-G313 VanDerWaalsContact CA-O 3.24Å; G293-G313 WeakPolarHBondContact CA-O 3.29Å; G293-G313 PolarHBondContact N-O 2.82Å; G293-T315 VanDerWaalsContact CA-CG2 3.42Å; G293-T315 WeakPolarHBondContact CA-OG1 3.5Å
294	I	94.3	Very high	97.2	Very high	24 Å²	24	29.2 Å²	29.2	12%	0.123	14%	0.14	C	C	.	.	H	α-helix	trans	-56.2	-28.7	-169	-166.6	65.2	0	0	0	114.4	D297 R298 T315 T317 L319 I336 V348 Q350	I294-D297 WeakPolarHBondContact CA-OD2 3.36Å; I294-D297 PolarHBondContact N-OD2 3.44Å; I294-R298 WeakPolarHBondContact O-CB 3.45Å; I294-R298 VanDerWaalsContact O-CG 3.23Å; I294-R298 WeakPolarHBondContact O-CG 3.35Å; I294-R298 PolarHBondContact O-N 2.97Å; I294-R298 VanDerWaalsContact O-N 3.11Å; I294-T315 PolarHBondContact N-OG1 2.98Å; I294-T317 HydrophobicContact CB-CG2 4.33Å; I294-T317 WeakPolarHBondContact CB-OG1 3.46Å; I294-T317 HydrophobicContact CD1-CG2 4.43Å; I294-T317 HydrophobicContact CG1-CG2 4.13Å; I294-T317 HydrophobicContact CG2-CG2 4.49Å; I294-T317 WeakPolarHBondContact CG2-OG1 3.1Å; I294-L319 HydrophobicContact CD1-CD1 4.38Å; I294-I336 HydrophobicContact CD1-CD1 4.33Å; I294-I336 HydrophobicContact CG1-CD1 4.46Å; I294-V348 HydrophobicContact CD1-CG1 3.9Å; I294-Q350 HydrophobicContact CD1-CG 4.24Å
295	T	93.8	Very high	97.2	Very high	111 Å²	111	32.5 Å²	32.5	68%	0.681	15%	0.148	S	C	*	.	H	α-helix	trans	-69.2	-43.5	177.2	-60.1	0	0	0	0	111.4	G293 L299	G293-T295 PolarHBondContact O-N 3.14Å; T295-L299 PolarHBondContact O-N 3.08Å; T295-L299 VanDerWaalsContact O-N 3.13Å
296	I	95.9	Very high	97.2	Very high	46 Å²	46	32.9 Å²	32.9	24%	0.236	15%	0.153	C	C	.	.	H	α-helix	trans	-74.1	-36.8	177.2	-59.4	-57.8	0	0	0	110.3	E267 S292 G293 R298 L299 I300	E267-I296 HydrophobicContact CB-CG2 4.21Å; E267-I296 HydrophobicContact CG-CG2 4.15Å; S292-I296 WeakPolarHBondContact O-CG1 3.34Å; G293-I296 PolarHBondContact O-N 3.11Å; I296-R298 VanDerWaalsContact C-N 3.31Å; I296-R298 PolarHBondContact O-N 3.45Å; I296-L299 HydrophobicContact CD1-CD2 4.4Å; I296-L299 CarbonylContact O-C 3.49Å; I296-L299 WeakPolarHBondContact O-CA 3.33Å; I296-L299 WeakPolarHBondContact O-CB 3.35Å; I296-L299 PolarHBondContact O-N 3.24Å; I296-I300 HydrophobicContact CG2-CD1 3.94Å; I296-I300 HydrophobicContact CG2-CG1 4.29Å; I296-I300 WeakPolarHBondContact O-CG1 3.49Å; I296-I300 PolarHBondContact O-N 2.74Å
297	D	98.3	Very high	97.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57	-45.3	175.7	-58.3	-26.2	0	0	0	111.5	Y247 G293 I294 L299 I300 A301 V310 G312 V348 Q350	Y247-D297 WeakPolarHBondContact CE2-OD1 3.2Å; Y247-D297 PolarHBondContact OH-OD1 3.37Å; G293-D297 VanDerWaalsContact C-OD2 3.27Å; G293-D297 PolarHBondContact O-N 2.79Å; I294-D297 WeakPolarHBondContact CA-OD2 3.36Å; I294-D297 PolarHBondContact N-OD2 3.44Å; D297-L299 VanDerWaalsContact C-N 3.35Å; D297-I300 PolarHBondContact O-N 2.97Å; D297-A301 WeakPolarHBondContact O-CB 3.14Å; D297-A301 PolarHBondContact O-N 3.38Å; D297-V310 HydrophobicContact CB-CG1 3.78Å; D297-G312 WeakPolarHBondContact OD2-CA 3.36Å; D297-V348 HydrophobicContact CB-CG1 3.75Å; D297-Q350 PolarHBondContact OD2-NE2 3.44Å
298	R	98.6	Very high	97.1	Very high	102 Å²	102	33.2 Å²	33.2	39%	0.385	15%	0.154	S	C	.	.	H	α-helix	trans	-67.3	-34.6	174.5	-68.4	177.1	68.8	-175.7	2	112.5	I294 I296 A301 R302 E338 V348	I294-R298 WeakPolarHBondContact O-CB 3.45Å; I294-R298 VanDerWaalsContact O-CG 3.23Å; I294-R298 WeakPolarHBondContact O-CG 3.35Å; I294-R298 PolarHBondContact O-N 2.97Å; I294-R298 VanDerWaalsContact O-N 3.11Å; I296-R298 VanDerWaalsContact C-N 3.31Å; I296-R298 PolarHBondContact O-N 3.45Å; R298-A301 PolarHBondContact O-N 3.19Å; R298-R302 WeakPolarHBondContact O-CB 3.39Å; R298-R302 PolarHBondContact O-N 2.84Å; R298-E338 HydrophobicContact CB-CG 4.47Å; R298-E338 IonicContact CZ-OE2 3.35Å; R298-E338 VanDerWaalsContact CZ-OE2 3.23Å; R298-E338 IonicContact NE-OE2 3.39Å; R298-E338 PolarHBondContact NE-OE2 2.81Å; R298-E338 IonicContact NH2-OE1 3.66Å; R298-E338 IonicContact NH2-OE2 3.89Å; R298-E338 PolarHBondContact NH2-OE2 3.21Å; R298-V348 HydrophobicContact CG-CG1 4.29Å; R298-V348 HydrophobicContact CG-CG2 4.41Å
299	L	98.4	Very high	97.1	Very high	58 Å²	58	33.2 Å²	33.2	30%	0.304	15%	0.154	S	C	.	.	H	α-helix	trans	-66.2	-40.3	175.2	-173.5	65.2	0	0	0	111.6	V268 T295 I296 D297 R302 K303	V268-L299 HydrophobicContact CG2-CD2 4.17Å; V268-L299 HydrophobicContact CG2-CG 4.04Å; T295-L299 PolarHBondContact O-N 3.08Å; T295-L299 VanDerWaalsContact O-N 3.13Å; I296-L299 HydrophobicContact CD1-CD2 4.4Å; I296-L299 CarbonylContact O-C 3.49Å; I296-L299 WeakPolarHBondContact O-CA 3.33Å; I296-L299 WeakPolarHBondContact O-CB 3.35Å; I296-L299 PolarHBondContact O-N 3.24Å; D297-L299 VanDerWaalsContact C-N 3.35Å; L299-R302 PolarHBondContact O-N 3.04Å; L299-K303 HydrophobicContact CD1-CD 3.68Å; L299-K303 HydrophobicContact CD1-CG 4.05Å; L299-K303 HydrophobicContact CG-CD 4.22Å; L299-K303 WeakPolarHBondContact O-CB 3.1Å; L299-K303 PolarHBondContact O-N 2.99Å
300	I	98.7	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-50.6	174.4	-71.7	166.2	0	0	0	109.9	Y247 E267 V268 L271 A288 I296 D297 R302 K303 V304 V310	Y247-I300 HydrophobicContact CD1-CD1 3.96Å; Y247-I300 HydrophobicContact CD2-CD1 3.68Å; Y247-I300 HydrophobicContact CE1-CD1 3.76Å; Y247-I300 HydrophobicContact CE2-CD1 3.46Å; Y247-I300 VanDerWaalsContact CE2-CD1 3.46Å; Y247-I300 HydrophobicContact CG-CD1 3.93Å; E267-I300 HydrophobicContact CB-CD1 4.03Å; E267-I300 HydrophobicContact CB-CG1 4.48Å; V268-I300 HydrophobicContact CG2-CG1 4.05Å; L271-I300 HydrophobicContact CD2-CD1 4.27Å; L271-I300 HydrophobicContact CD2-CG2 3.86Å; A288-I300 HydrophobicContact CB-CG2 3.99Å; I296-I300 HydrophobicContact CG2-CD1 3.94Å; I296-I300 HydrophobicContact CG2-CG1 4.29Å; I296-I300 WeakPolarHBondContact O-CG1 3.49Å; I296-I300 PolarHBondContact O-N 2.74Å; D297-I300 PolarHBondContact O-N 2.97Å; I300-R302 PolarHBondContact O-N 2.89Å; I300-K303 PolarHBondContact O-N 3.1Å; I300-V304 HydrophobicContact CB-CG2 4.39Å; I300-V304 HydrophobicContact CG2-CB 4.32Å; I300-V304 HydrophobicContact CG2-CG2 3.93Å; I300-V304 WeakPolarHBondContact O-CB 3.32Å; I300-V304 PolarHBondContact O-N 2.89Å; I300-V310 HydrophobicContact CG2-CG2 4.15Å
301	A	98.7	Very high	97.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-55.2	-37.2	176.3	0	0	0	0	0	112.3	D297 R298 V310 E338 S340 V346 V348	D297-A301 WeakPolarHBondContact O-CB 3.14Å; D297-A301 PolarHBondContact O-N 3.38Å; R298-A301 PolarHBondContact O-N 3.19Å; A301-V310 HydrophobicContact CB-CG2 3.68Å; A301-E338 HydrophobicContact CB-CB 3.89Å; A301-E338 HydrophobicContact CB-CG 4.06Å; A301-S340 WeakPolarHBondContact O-CB 3.32Å; A301-V346 HydrophobicContact CB-CB 4.01Å; A301-V346 HydrophobicContact CB-CG1 3.72Å; A301-V348 HydrophobicContact CB-CG2 3.52Å
302	R	98.6	Very high	97.2	Very high	110 Å²	110	33.2 Å²	33.2	42%	0.415	15%	0.154	S	C	.	.	H	α-helix	trans	-73.4	-45.7	178.9	-174.1	179.2	-59.9	-176	1.9	113.1	R298 L299 I300 E338 S340 E341	R298-R302 WeakPolarHBondContact O-CB 3.39Å; R298-R302 PolarHBondContact O-N 2.84Å; L299-R302 PolarHBondContact O-N 3.04Å; I300-R302 PolarHBondContact O-N 2.89Å; R302-E338 HydrophobicContact CB-CG 4.26Å; R302-E338 IonicContact CZ-OE1 2.7Å; R302-E338 IonicContact NE-OE1 2.7Å; R302-E338 PolarHBondContact NE-OE1 2.81Å; R302-E338 VanDerWaalsContact NE-OE1 3.12Å; R302-E338 IonicContact NH2-OE1 3.57Å; R302-E338 PolarHBondContact NH2-OE1 2.99Å; R302-S340 WeakPolarHBondContact O-CA 3.44Å; R302-E341 HydrophobicContact CG-CG 4.14Å; R302-E341 PolarHBondContact O-N 2.67Å
303	K	98.6	Very high	97.4	Very high	87 Å²	87	32.7 Å²	32.7	38%	0.378	15%	0.151	S	C	.	.	H	α-helix	trans	-103.1	-27.7	-163.5	-68.9	-165.4	168.2	-169.9	0	115.4	V268 L299 I300 R305	V268-K303 HydrophobicContact CG1-CB 3.71Å; V268-K303 HydrophobicContact CG1-CD 4.32Å; L299-K303 HydrophobicContact CD1-CD 3.68Å; L299-K303 HydrophobicContact CD1-CG 4.05Å; L299-K303 HydrophobicContact CG-CD 4.22Å; L299-K303 WeakPolarHBondContact O-CB 3.1Å; L299-K303 PolarHBondContact O-N 2.99Å; I300-K303 PolarHBondContact O-N 3.1Å; K303-R305 PolarHBondContact O-N 3.18Å
304	V	98.6	Very high	97.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	16%	0.16	C	C	.	.	S	Bend	trans	-85.6	100.7	-177.5	-173.3	0	0	0	0	108.8	V268 L271 V275 I300 V307	V268-V304 HydrophobicContact CB-CG2 4.39Å; V268-V304 HydrophobicContact CG1-CG2 3.99Å; L271-V304 HydrophobicContact CB-CG1 4.08Å; L271-V304 HydrophobicContact CB-CG2 4.07Å; V275-V304 HydrophobicContact CB-CG1 4.34Å; V275-V304 HydrophobicContact CG2-CG1 3.82Å; I300-V304 HydrophobicContact CB-CG2 4.39Å; I300-V304 HydrophobicContact CG2-CB 4.32Å; I300-V304 HydrophobicContact CG2-CG2 3.93Å; I300-V304 WeakPolarHBondContact O-CB 3.32Å; I300-V304 PolarHBondContact O-N 2.89Å; V304-V307 HydrophobicContact CB-CG2 3.84Å; V304-V307 HydrophobicContact CG1-CG2 3.53Å; V304-V307 PolarHBondContact O-N 3Å
305	R	97.9	Very high	97	Very high	129 Å²	129	35.2 Å²	35.2	49%	0.487	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	140.3	177.5	-62.6	-176.6	-59.9	-81.4	-7.2	109.7	Q272 V275 K303 D342	Q272-R305 PolarHBondContact NE2-O 3.31Å; V275-R305 WeakPolarHBondContact CG1-O 3.21Å; K303-R305 PolarHBondContact O-N 3.18Å; R305-D342 HydrophobicContact CG-CB 4.38Å
306	G	97.1	Very high	96.7	Very high	10 Å²	10	30.3 Å²	30.3	10%	0.103	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	-12.9	-177.5	0	0	0	0	0	115.1	E279 V286 R344	E279-G306 WeakPolarHBondContact OE1-CA 3.48Å; V286-G306 WeakPolarHBondContact CB-O 3.26Å; G306-R344 VanDerWaalsContact N-NH2 3.11Å
307	V	98.5	Very high	96.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	12%	0.123	C	C	.	.			trans	-75.3	130.8	173.5	173.2	0	0	0	0	110.3	V275 A288 V304 V309 V310 R344 V346	V275-V307 HydrophobicContact CG2-CG2 3.94Å; A288-V307 HydrophobicContact CB-CG1 3.85Å; A288-V307 HydrophobicContact CB-CG2 4.26Å; V304-V307 HydrophobicContact CB-CG2 3.84Å; V304-V307 HydrophobicContact CG1-CG2 3.53Å; V304-V307 PolarHBondContact O-N 3Å; V307-V309 WeakPolarHBondContact CG1-O 3.4Å; V307-V310 HydrophobicContact CG1-CG2 3.81Å; V307-R344 PolarHBondContact O-NH1 2.7Å; V307-R344 PolarHBondContact O-NH2 3.36Å; V307-V346 HydrophobicContact CG1-CG1 4.42Å
308	D	98.6	Very high	96.4	Very high	8 Å²	8	28.3 Å²	28.3	4%	0.043	12%	0.123	C	C	.	.			trans	-106.4	-26.8	-177.5	-61.2	-54.7	0	0	0	113.4	K285 V286 R344 P347 F365 V371	K285-D308 VanDerWaalsContact CA-OD2 3.3Å; K285-D308 WeakPolarHBondContact CA-OD2 3.32Å; V286-D308 PolarHBondContact N-OD2 3.2Å; V286-D308 WeakPolarHBondContact O-CB 3.34Å; V286-D308 PolarHBondContact O-N 2.89Å; D308-R344 IonicContact OD1-NH1 3.12Å; D308-R344 PolarHBondContact OD1-NH1 3.08Å; D308-P347 VanDerWaalsContact O-CD 3.28Å; D308-P347 WeakPolarHBondContact O-CD 3.44Å; D308-F365 HydrophobicContact CB-CE1 3.96Å; D308-V371 HydrophobicContact CB-CG2 3.9Å
309	V	98.9	Very high	96.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	141	178.1	-176.3	0	0	0	0	108.8	L102 V286 I287 A288 V307 I311 P347 L361 V363 F365	L102-V309 HydrophobicContact CD1-CB 4.36Å; L102-V309 HydrophobicContact CD1-CG1 3.91Å; L102-V309 HydrophobicContact CD1-CG2 4.18Å; V286-V309 PolarHBondContact O-N 3.46Å; I287-V309 WeakPolarHBondContact CA-O 3.26Å; I287-V309 HydrophobicContact CG1-CB 4.32Å; I287-V309 HydrophobicContact CG2-CB 4.41Å; A288-V309 PolarHBondContact N-O 3.06Å; V307-V309 WeakPolarHBondContact CG1-O 3.4Å; V309-I311 HydrophobicContact CG1-CG1 4.11Å; V309-P347 HydrophobicContact CB-CG 4.4Å; V309-P347 HydrophobicContact CG1-CG 4.27Å; V309-P347 HydrophobicContact CG2-CG 4Å; V309-L361 HydrophobicContact CG1-CD2 3.84Å; V309-V363 HydrophobicContact CG2-CG1 4.24Å; V309-V363 HydrophobicContact CG2-CG2 4.1Å; V309-F365 HydrophobicContact CG2-CZ 4.43Å
310	V	98.9	Very high	96.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.9	169.2	-174.7	0	0	0	0	110.4	Y247 A288 D297 I300 A301 V307 V346 P347 V348 V349	Y247-V310 VanDerWaalsContact OH-CG1 3.23Å; Y247-V310 WeakPolarHBondContact OH-CG1 3.5Å; A288-V310 HydrophobicContact CB-CG2 4.22Å; A288-V310 CarbonylContact O-C 3.56Å; A288-V310 WeakPolarHBondContact O-CA 3.16Å; D297-V310 HydrophobicContact CB-CG1 3.78Å; I300-V310 HydrophobicContact CG2-CG2 4.15Å; A301-V310 HydrophobicContact CB-CG2 3.68Å; V307-V310 HydrophobicContact CG1-CG2 3.81Å; V310-V346 HydrophobicContact CG2-CG1 4.11Å; V310-P347 PolarHBondContact N-O 3.48Å; V310-V348 HydrophobicContact CB-CG1 4.24Å; V310-V348 HydrophobicContact CB-CG2 4.18Å; V310-V348 HydrophobicContact CG1-CG1 4.37Å; V310-V348 WeakPolarHBondContact O-CA 3.18Å; V310-V349 PolarHBondContact O-N 2.94Å
311	I	98.9	Very high	96.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	114.9	174	-54.4	-178	0	0	0	108.1	L102 H104 L152 A154 I287 A288 L289 G290 V309 V349	L102-I311 HydrophobicContact CB-CD1 4.13Å; L102-I311 HydrophobicContact CD1-CD1 4.21Å; H104-I311 HydrophobicContact CB-CD1 4.37Å; H104-I311 HydrophobicContact CB-CG2 3.64Å; L152-I311 HydrophobicContact CD1-CD1 3.71Å; A154-I311 HydrophobicContact CB-CG2 4.49Å; I287-I311 HydrophobicContact CG2-CD1 4.05Å; I287-I311 HydrophobicContact CG2-CG1 4.18Å; A288-I311 PolarHBondContact O-N 3.4Å; L289-I311 WeakPolarHBondContact CA-O 3.45Å; L289-I311 HydrophobicContact CD1-CB 3.84Å; L289-I311 HydrophobicContact CD1-CG2 3.79Å; G290-I311 PolarHBondContact N-O 3.02Å; V309-I311 HydrophobicContact CG1-CG1 4.11Å; I311-V349 HydrophobicContact CB-CG2 4.21Å; I311-V349 HydrophobicContact CG1-CG2 3.75Å; I311-V349 HydrophobicContact CG2-CG2 4.26Å
312	G	98.6	Very high	96.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.			trans	-113.2	174.6	-172.2	0	0	0	0	0	115.5	N106 A154 G290 D297 V349 Q350	N106-G312 WeakPolarHBondContact CB-O 3.13Å; A154-G312 VanDerWaalsContact CB-C 3.49Å; A154-G312 WeakPolarHBondContact CB-O 3.07Å; G290-G312 CarbonylContact O-C 3.56Å; G290-G312 VanDerWaalsContact O-CA 3.25Å; G290-G312 WeakPolarHBondContact O-CA 3.34Å; D297-G312 WeakPolarHBondContact OD2-CA 3.36Å; G312-V349 PolarHBondContact N-O 3.45Å; G312-Q350 WeakPolarHBondContact O-CG 3.3Å
313	G	96.2	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.			trans	-147.3	-153.5	171.1	0	0	0	0	0	112.6	D107 G290 G293 T315 Q350	D107-G313 VanDerWaalsContact OD2-CA 3.31Å; D107-G313 WeakPolarHBondContact OD2-CA 3.38Å; G290-G313 PolarHBondContact O-N 2.75Å; G290-G313 VanDerWaalsContact O-N 3.12Å; G293-G313 VanDerWaalsContact CA-O 3.24Å; G293-G313 WeakPolarHBondContact CA-O 3.29Å; G293-G313 PolarHBondContact N-O 2.82Å; G313-T315 VanDerWaalsContact C-N 3.27Å; G313-T315 PolarHBondContact O-N 2.97Å; G313-Q350 PolarHBondContact O-NE2 2.96Å
314	H	90.5	Very high	96.2	Very high	43 Å²	43	28.3 Å²	28.3	20%	0.199	15%	0.153	C	C	.	.	S	Bend	trans	80.1	-50.4	172.2	-168.1	54.8	0	0	0	115.5	D107 N188 H291 N316	D107-H314 WeakPolarHBondContact OD1-CA 3.43Å; D107-H314 PolarHBondContact OD1-N 2.94Å; D107-H314 VanDerWaalsContact OD1-N 3.14Å; D107-H314 PolarHBondContact OD2-N 3.14Å; N188-H314 PolarHBondContact OD1-CE1 2.72Å; N188-H314 PolarHBondContact OD1-ND1 3.39Å; H291-H314 VanDerWaalsContact CD2-CB 3.5Å; H291-H314 WeakPolarHBondContact CD2-CB 3.33Å; H291-H314 AromaticContact CD2-CG 3.8Å; H291-H314 AromaticContact CD2-ND1 3.6Å; H291-H314 WeakPolarHBondContact CE1-CA 3.34Å; H291-H314 PolarHBondContact CE1-N 3.36Å; H291-H314 PolarHBondContact ND1-N 3.09Å; H291-H314 VanDerWaalsContact NE2-CA 3.26Å; H291-H314 WeakPolarHBondContact NE2-CA 3.03Å; H291-H314 VanDerWaalsContact NE2-CB 3.29Å; H291-H314 WeakPolarHBondContact NE2-CB 3.42Å; H291-H314 AromaticContact NE2-CG 3.6Å; H291-H314 AromaticContact NE2-ND1 3.2Å; H291-H314 PolarHBondContact NE2-ND1 2.78Å; H291-H314 VanDerWaalsContact NE2-ND1 3.2Å; H314-N316 VanDerWaalsContact C-N 3.31Å; H314-N316 PolarHBondContact O-N 2.7Å
315	T	84.9	Confident	96.1	Very high	35 Å²	35	31 Å²	31	22%	0.215	17%	0.171	C	C	.	.	S	Bend	trans	-86.5	-2.4	-173.3	41.1	0	0	0	0	114.1	G293 I294 G313 T317 Q350	G293-T315 VanDerWaalsContact CA-CG2 3.42Å; G293-T315 WeakPolarHBondContact CA-OG1 3.5Å; I294-T315 PolarHBondContact N-OG1 2.98Å; G313-T315 VanDerWaalsContact C-N 3.27Å; G313-T315 PolarHBondContact O-N 2.97Å; T315-T317 PolarHBondContact O-N 2.55Å; T315-T317 PolarHBondContact OG1-OG1 3.32Å; T315-Q350 PolarHBondContact OG1-NE2 3.47Å; T315-Q350 PolarHBondContact OG1-OE1 3.19Å; T315-Q350 VanDerWaalsContact OG1-OE1 3.05Å
316	N	88.3	Confident	96	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.037	16%	0.156	C	C	.	.			trans	52.7	37.1	-173.8	-56.2	-59.5	0	0	0	112.9	D107 H314 F318 Y352 A353 Q421	D107-N316 WeakPolarHBondContact CB-OD1 3.45Å; D107-N316 VanDerWaalsContact CG-OD1 3.26Å; D107-N316 PolarHBondContact OD1-OD1 2.92Å; H314-N316 VanDerWaalsContact C-N 3.31Å; H314-N316 PolarHBondContact O-N 2.7Å; N316-F318 PolarHBondContact O-N 3.02Å; N316-Y352 CarbonylContact C-O 3.56Å; N316-Y352 VanDerWaalsContact CA-O 3.25Å; N316-Y352 WeakPolarHBondContact CA-O 3.47Å; N316-A353 HydrophobicContact CB-CB 3.99Å; N316-A353 WeakPolarHBondContact OD1-CB 3.45Å; N316-Q421 PolarHBondContact ND2-NE2 3.44Å; N316-Q421 PolarHBondContact ND2-OE1 2.9Å
317	T	91.8	Very high	95.7	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	18%	0.177	C	C	.	.			trans	-71.8	124.9	-172.4	-55.8	0	0	0	0	109.5	I294 T315 L319 E331 Q350 Y352	I294-T317 HydrophobicContact CB-CG2 4.33Å; I294-T317 WeakPolarHBondContact CB-OG1 3.46Å; I294-T317 HydrophobicContact CD1-CG2 4.43Å; I294-T317 HydrophobicContact CG1-CG2 4.13Å; I294-T317 HydrophobicContact CG2-CG2 4.49Å; I294-T317 WeakPolarHBondContact CG2-OG1 3.1Å; T315-T317 PolarHBondContact O-N 2.55Å; T315-T317 PolarHBondContact OG1-OG1 3.32Å; T317-L319 HydrophobicContact CG2-CD2 3.73Å; T317-L319 HydrophobicContact CG2-CG 3.99Å; T317-E331 HydrophobicContact CG2-CB 3.98Å; T317-Q350 WeakPolarHBondContact O-CB 3.31Å; T317-Q350 PolarHBondContact OG1-OE1 3.21Å; T317-Q350 VanDerWaalsContact OG1-OE1 3.09Å; T317-Y352 WeakPolarHBondContact O-CA 3.45Å; T317-Y352 PolarHBondContact O-N 2.87Å
318	F	96.1	Very high	95.3	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.009	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-95.5	117.3	171.7	-177	-124.2	0	0	0	109.7	N316 Y320 P324 E328 P330 E331 Y352 Y357 P378	N316-F318 PolarHBondContact O-N 3.02Å; F318-Y320 HydrophobicContact CE2-CD2 4.14Å; F318-Y320 AromaticContact CZ-CD2 3.73Å; F318-Y320 HydrophobicContact CZ-CD2 3.73Å; F318-Y320 HydrophobicContact CZ-CG 4.08Å; F318-P324 HydrophobicContact CE1-CB 3.88Å; F318-P324 HydrophobicContact CZ-CB 4.33Å; F318-E328 HydrophobicContact CB-CB 4.21Å; F318-E328 HydrophobicContact CD1-CB 3.35Å; F318-E328 HydrophobicContact CD2-CB 4.43Å; F318-E328 HydrophobicContact CE1-CB 3.7Å; F318-E328 WeakPolarHBondContact CE1-O 3.39Å; F318-E328 HydrophobicContact CG-CB 3.75Å; F318-E328 HydrophobicContact CZ-CB 4.38Å; F318-P330 HydrophobicContact CD1-CB 4.43Å; F318-P330 HydrophobicContact CD1-CG 4.1Å; F318-P330 HydrophobicContact CE1-CG 3.87Å; F318-P330 CarbonylContact O-C 3.59Å; F318-P330 WeakPolarHBondContact O-CA 3.31Å; F318-E331 PolarHBondContact O-N 3.07Å; F318-Y352 HydrophobicContact CB-CD2 4.12Å; F318-Y352 HydrophobicContact CB-CG 4.41Å; F318-Y357 HydrophobicContact CD2-CE2 4.3Å; F318-Y357 HydrophobicContact CE2-CD1 4.14Å; F318-Y357 HydrophobicContact CE2-CD2 4.27Å; F318-Y357 AromaticContact CE2-CE1 3.76Å; F318-Y357 HydrophobicContact CE2-CE1 3.76Å; F318-Y357 AromaticContact CE2-CE2 3.91Å; F318-Y357 HydrophobicContact CE2-CE2 3.91Å; F318-Y357 HydrophobicContact CE2-CG 4.39Å; F318-Y357 AromaticContact CE2-CZ 3.63Å; F318-Y357 HydrophobicContact CZ-CE1 4.05Å; F318-Y357 HydrophobicContact CZ-CE2 4.49Å; F318-Y357 AromaticContact CZ-CZ 3.87Å; F318-P378 HydrophobicContact CE2-CG 4.47Å
319	L	98.3	Very high	94.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-112.7	137.1	174.6	-59.8	178.5	0	0	0	108.9	I294 T317 G332 Y334 I336 P378	I294-L319 HydrophobicContact CD1-CD1 4.38Å; T317-L319 HydrophobicContact CG2-CD2 3.73Å; T317-L319 HydrophobicContact CG2-CG 3.99Å; L319-G332 WeakPolarHBondContact CA-O 3.34Å; L319-Y334 HydrophobicContact CB-CD2 3.98Å; L319-Y334 HydrophobicContact CB-CG 4.47Å; L319-I336 HydrophobicContact CD1-CD1 3.95Å; L319-I336 HydrophobicContact CD1-CG1 3.96Å; L319-I336 HydrophobicContact CD2-CD1 3.56Å; L319-I336 HydrophobicContact CD2-CG1 3.94Å; L319-I336 HydrophobicContact CG-CD1 4.42Å; L319-P378 WeakPolarHBondContact O-CD 3.05Å; L319-P378 VanDerWaalsContact O-CG 3.31Å; L319-P378 WeakPolarHBondContact O-CG 3.34Å
320	Y	98.6	Very high	94.8	Very high	43 Å²	43	42.2 Å²	42.2	17%	0.169	23%	0.233	C	C	.	.			trans	-156.7	131.4	179.2	-156.5	-88.4	0	0	0	110.8	F318 Q323 P324 P325 G332 N377	F318-Y320 HydrophobicContact CE2-CD2 4.14Å; F318-Y320 AromaticContact CZ-CD2 3.73Å; F318-Y320 HydrophobicContact CZ-CD2 3.73Å; F318-Y320 HydrophobicContact CZ-CG 4.08Å; Y320-Q323 WeakPolarHBondContact CE1-O 3.27Å; Y320-P324 HydrophobicContact CD1-CB 4.48Å; Y320-P325 HydrophobicContact CE2-CG 3.99Å; Y320-G332 PolarHBondContact N-O 3.29Å; Y320-N377 WeakPolarHBondContact CA-OD1 3.37Å; Y320-N377 HydrophobicContact CD2-CB 4.35Å; Y320-N377 HydrophobicContact CE2-CB 3.89Å
321	T	98.4	Very high	94.5	Very high	61 Å²	61	47.2 Å²	47.2	37%	0.374	26%	0.256	S	S	.	.	S	Bend	trans	-94.8	116.7	173.6	-60.8	0	0	0	0	109.7	Y334 N377	T321-Y334 PolarHBondContact OG1-N 3.04Å; T321-Y334 PolarHBondContact OG1-O 3.29Å; T321-N377 PolarHBondContact N-OD1 3.17Å; T321-N377 PolarHBondContact O-ND2 3.13Å
322	G	97.3	Very high	94.4	Very high	57 Å²	57	48.3 Å²	48.3	59%	0.588	27%	0.268	S	S	*	.	S	Bend	trans	97.9	-153.3	-177.6	0	0	0	0	0	113.1	P324	G322-P324 WeakPolarHBondContact O-CD 3.05Å
323	Q	97.3	Very high	94.4	Very high	166 Å²	166	53.3 Å²	53.3	78%	0.776	29%	0.294	S	S	*	.	S	Bend	trans	-77.4	119.1	-177.8	-177	61.8	27.4	0	0	110.7	Y320	Y320-Q323 WeakPolarHBondContact CE1-O 3.27Å
324	P	96.9	Very high	94.5	Very high	30 Å²	30	53.5 Å²	53.5	20%	0.195	30%	0.295	C	S	.	.			trans	-65	144.5	179.4	27.5	-36.3	0	0	0	111.7	F318 Y320 G322 P330	F318-P324 HydrophobicContact CE1-CB 3.88Å; F318-P324 HydrophobicContact CZ-CB 4.33Å; Y320-P324 HydrophobicContact CD1-CB 4.48Å; G322-P324 WeakPolarHBondContact O-CD 3.05Å; P324-P330 HydrophobicContact CB-CG 3.89Å; P324-P330 HydrophobicContact CG-CG 4.04Å
325	P	96.9	Very high	94.9	Very high	59 Å²	59	52 Å²	52	38%	0.383	29%	0.29	S	S	.	.	S	Bend	trans	-87.8	-5.2	-171.6	36.2	-38.1	0	0	0	113.9	Y320 Y357 L380	Y320-P325 HydrophobicContact CE2-CG 3.99Å; P325-Y357 HydrophobicContact CG-CE1 3.87Å; P325-L380 HydrophobicContact CB-CB 4.29Å; P325-L380 HydrophobicContact CB-CD2 4Å; P325-L380 HydrophobicContact CG-CB 3.92Å; P325-L380 HydrophobicContact CG-CD2 4.23Å
326	S	95.8	Very high	95.5	Very high	26 Å²	26	51.7 Å²	51.7	18%	0.182	29%	0.286	C	S	.	.	S	Bend	trans	-145.2	-159.8	-179.6	-157.6	0	0	0	0	111.6	E328 K356 Y357	S326-E328 VanDerWaalsContact C-N 3.34Å; S326-E328 WeakPolarHBondContact CB-OE2 3.24Å; S326-E328 PolarHBondContact O-N 3.16Å; S326-K356 PolarHBondContact OG-NZ 3.26Å; S326-Y357 WeakPolarHBondContact CB-OH 3.44Å
327	L	90.5	Very high	96	Very high	103 Å²	103	54 Å²	54	54%	0.539	30%	0.297	S	S	.	.	S	Bend	trans	-74.2	-21	-172.5	-58	-178.7	0	0	0	114.3	V117 H118	V117-L327 HydrophobicContact CB-CD1 4.37Å; V117-L327 HydrophobicContact CG1-CD1 3.85Å; V117-L327 HydrophobicContact CG2-CD1 3.61Å; V117-L327 HydrophobicContact CG2-CG 3.83Å; H118-L327 WeakPolarHBondContact CE1-CD1 3.28Å
328	E	89.4	Confident	96.3	Very high	21 Å²	21	54.3 Å²	54.3	10%	0.098	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-67.1	135.5	-177.2	-65.8	70.5	-130.3	0	0	110.6	F318 S326 Y352 K356 Y357	F318-E328 HydrophobicContact CB-CB 4.21Å; F318-E328 HydrophobicContact CD1-CB 3.35Å; F318-E328 HydrophobicContact CD2-CB 4.43Å; F318-E328 HydrophobicContact CE1-CB 3.7Å; F318-E328 WeakPolarHBondContact CE1-O 3.39Å; F318-E328 HydrophobicContact CG-CB 3.75Å; F318-E328 HydrophobicContact CZ-CB 4.38Å; S326-E328 VanDerWaalsContact C-N 3.34Å; S326-E328 WeakPolarHBondContact CB-OE2 3.24Å; S326-E328 PolarHBondContact O-N 3.16Å; E328-Y352 HydrophobicContact CG-CD1 4.09Å; E328-Y352 HydrophobicContact CG-CD2 3.95Å; E328-Y352 HydrophobicContact CG-CE1 3.91Å; E328-Y352 HydrophobicContact CG-CE2 3.76Å; E328-Y352 HydrophobicContact CG-CG 4.1Å; E328-K356 IonicContact OE1-NZ 2.66Å; E328-K356 PolarHBondContact OE1-NZ 2.81Å; E328-K356 WeakPolarHBondContact OE2-CE 3.38Å; E328-K356 IonicContact OE2-NZ 2.74Å; E328-K356 PolarHBondContact OE2-NZ 3.44Å; E328-Y357 HydrophobicContact CG-CE2 4.41Å; E328-Y357 VanDerWaalsContact OE2-CE2 3.31Å; E328-Y357 WeakPolarHBondContact OE2-CE2 3.46Å; E328-Y357 PolarHBondContact OE2-OH 3.27Å
329	K	90.6	Very high	96.3	Very high	182 Å²	182	61 Å²	61	79%	0.791	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-92.1	123	176.5	-67.3	-177.2	179.6	-179.9	0	109	E331	K329-E331 PolarHBondContact O-N 2.95Å
330	P	95.5	Very high	96.3	Very high	49 Å²	49	61.3 Å²	61.3	32%	0.318	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-61.1	135.1	177	-24	34.5	0	0	0	111.5	F318 P324	F318-P330 HydrophobicContact CD1-CB 4.43Å; F318-P330 HydrophobicContact CD1-CG 4.1Å; F318-P330 HydrophobicContact CE1-CG 3.87Å; F318-P330 CarbonylContact O-C 3.59Å; F318-P330 WeakPolarHBondContact O-CA 3.31Å; P324-P330 HydrophobicContact CB-CG 3.89Å; P324-P330 HydrophobicContact CG-CG 4.04Å
331	E	93.6	Very high	96.1	Very high	105 Å²	105	65.5 Å²	65.5	49%	0.491	35%	0.353	S	S	.	.	S	Bend	trans	-89.4	-9.3	173	-72.6	170.9	-101.8	0	0	112.4	T317 F318 K329 K517	T317-E331 HydrophobicContact CG2-CB 3.98Å; F318-E331 PolarHBondContact O-N 3.07Å; K329-E331 PolarHBondContact O-N 2.95Å; E331-K517 IonicContact OE1-NZ 3.12Å; E331-K517 PolarHBondContact OE1-NZ 2.93Å; E331-K517 IonicContact OE2-NZ 3.57Å; E331-K517 PolarHBondContact OE2-NZ 3.26Å
332	G	96	Very high	95.8	Very high	24 Å²	24	65.7 Å²	65.7	25%	0.247	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	179.3	176.1	176.1	0	0	0	0	0	111.2	L319 Y320	L319-G332 WeakPolarHBondContact CA-O 3.34Å; Y320-G332 PolarHBondContact N-O 3.29Å
333	D	98.2	Very high	95.6	Very high	104 Å²	104	65.7 Å²	65.7	56%	0.556	35%	0.352	S	S	*	.			trans	-64.8	153.9	173.8	-70	-24.9	0	0	0	111	P335 I336	D333-P335 CarbonylContact O-C 3.59Å; D333-I336 WeakPolarHBondContact O-CG1 3.43Å; D333-I336 PolarHBondContact O-N 2.87Å; D333-I336 VanDerWaalsContact O-N 3.09Å
334	Y	98.7	Very high	95.5	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.016	33%	0.325	C	S	.	.	S	Bend	trans	-108.1	120.6	169.6	-174.8	-76.2	0	0	0	110.1	H104 L319 T321 V349 F360 L361 G376 P378	H104-Y334 AromaticContact NE2-CE2 3.82Å; H104-Y334 AromaticContact NE2-CZ 3.72Å; H104-Y334 PolarHBondContact NE2-OH 3.07Å; L319-Y334 HydrophobicContact CB-CD2 3.98Å; L319-Y334 HydrophobicContact CB-CG 4.47Å; T321-Y334 PolarHBondContact OG1-N 3.04Å; T321-Y334 PolarHBondContact OG1-O 3.29Å; Y334-V349 HydrophobicContact CD1-CG1 4.37Å; Y334-V349 HydrophobicContact CD2-CB 4.24Å; Y334-V349 HydrophobicContact CD2-CG1 3.95Å; Y334-V349 HydrophobicContact CE1-CG1 3.97Å; Y334-V349 HydrophobicContact CE2-CB 3.6Å; Y334-V349 HydrophobicContact CE2-CG1 3.53Å; Y334-V349 HydrophobicContact CG-CG1 4.37Å; Y334-F360 WeakPolarHBondContact CE1-O 3.41Å; Y334-F360 PolarHBondContact OH-N 3.43Å; Y334-F360 PolarHBondContact OH-O 3.3Å; Y334-F360 VanDerWaalsContact OH-O 3.14Å; Y334-L361 HydrophobicContact CD1-CD1 4.48Å; Y334-L361 HydrophobicContact CE1-CB 4.13Å; Y334-L361 HydrophobicContact CE1-CD1 3.79Å; Y334-L361 WeakPolarHBondContact OH-CB 3.43Å; Y334-L361 PolarHBondContact OH-N 3.26Å; Y334-G376 VanDerWaalsContact CD1-C 3.43Å; Y334-G376 WeakPolarHBondContact CD1-O 3.33Å; Y334-P378 HydrophobicContact CD2-CG 3.69Å; Y334-P378 HydrophobicContact CE2-CG 3.79Å; Y334-P378 HydrophobicContact CG-CG 4.41Å
335	P	98.6	Very high	95.4	Very high	13 Å²	13	66.7 Å²	66.7	8%	0.084	35%	0.345	C	S	.	.	S	Bend	cis	-72.3	157.9	-13.1	32.3	-36.5	0	0	0	112.7	D333 M337 P347 V349 L361	D333-P335 CarbonylContact O-C 3.59Å; P335-M337 HydrophobicContact CB-SD 4.36Å; P335-M337 HydrophobicContact CG-SD 3.65Å; P335-M337 PolarHBondContact O-N 2.75Å; P335-P347 HydrophobicContact CB-CB 3.52Å; P335-P347 HydrophobicContact CG-CB 3.7Å; P335-V349 HydrophobicContact CB-CG1 3.58Å; P335-L361 HydrophobicContact CB-CD1 4.17Å; P335-L361 HydrophobicContact CG-CD1 4Å
336	I	98.4	Very high	95.5	Very high	27 Å²	27	64 Å²	64	14%	0.138	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.9	160.1	-70.2	173.4	0	0	0	106.6	I294 L319 D333 P347 V348	I294-I336 HydrophobicContact CD1-CD1 4.33Å; I294-I336 HydrophobicContact CG1-CD1 4.46Å; L319-I336 HydrophobicContact CD1-CD1 3.95Å; L319-I336 HydrophobicContact CD1-CG1 3.96Å; L319-I336 HydrophobicContact CD2-CD1 3.56Å; L319-I336 HydrophobicContact CD2-CG1 3.94Å; L319-I336 HydrophobicContact CG-CD1 4.42Å; D333-I336 WeakPolarHBondContact O-CG1 3.43Å; D333-I336 PolarHBondContact O-N 2.87Å; D333-I336 VanDerWaalsContact O-N 3.09Å; I336-P347 CarbonylContact O-C 3.56Å; I336-P347 WeakPolarHBondContact O-CA 3.47Å; I336-V348 HydrophobicContact CB-CB 4.37Å; I336-V348 PolarHBondContact N-O 2.83Å; I336-V348 PolarHBondContact O-N 3.4Å
337	M	98	Very high	95.7	Very high	55 Å²	55	62.7 Å²	62.7	27%	0.271	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	103.7	177.2	-62.2	-59.4	-56.7	0	0	109.8	P335 R345 P347 S374	P335-M337 HydrophobicContact CB-SD 4.36Å; P335-M337 HydrophobicContact CG-SD 3.65Å; P335-M337 PolarHBondContact O-N 2.75Å; M337-R345 HydrophobicContact CE-CB 3.64Å; M337-R345 VanDerWaalsContact CG-NH2 3.3Å; M337-P347 HydrophobicContact CE-CB 4.46Å; M337-P347 HydrophobicContact SD-CB 3.89Å; M337-S374 PolarHBondContact SD-OG 3.48Å; M337-S374 VanDerWaalsContact SD-OG 3.37Å
338	E	98.2	Very high	96.1	Very high	10 Å²	10	57.8 Å²	57.8	5%	0.047	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	138.4	177.7	-166.3	66.4	-152.8	0	0	110.2	R298 A301 R302 R345 V346 V348	R298-E338 HydrophobicContact CB-CG 4.47Å; R298-E338 IonicContact CZ-OE2 3.35Å; R298-E338 VanDerWaalsContact CZ-OE2 3.23Å; R298-E338 IonicContact NE-OE2 3.39Å; R298-E338 PolarHBondContact NE-OE2 2.81Å; R298-E338 IonicContact NH2-OE1 3.66Å; R298-E338 IonicContact NH2-OE2 3.89Å; R298-E338 PolarHBondContact NH2-OE2 3.21Å; A301-E338 HydrophobicContact CB-CB 3.89Å; A301-E338 HydrophobicContact CB-CG 4.06Å; R302-E338 HydrophobicContact CB-CG 4.26Å; R302-E338 IonicContact CZ-OE1 2.7Å; R302-E338 IonicContact NE-OE1 2.7Å; R302-E338 PolarHBondContact NE-OE1 2.81Å; R302-E338 VanDerWaalsContact NE-OE1 3.12Å; R302-E338 IonicContact NH2-OE1 3.57Å; R302-E338 PolarHBondContact NH2-OE1 2.99Å; E338-R345 CarbonylContact O-C 3.58Å; E338-R345 WeakPolarHBondContact O-CA 3.42Å; E338-V346 PolarHBondContact N-O 3.46Å; E338-V346 PolarHBondContact O-N 2.81Å; E338-V348 HydrophobicContact CB-CG2 4.06Å
339	E	97.8	Very high	96.5	Very high	143 Å²	143	56.8 Å²	56.8	67%	0.668	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.3	173.4	-172.2	176.6	167.3	0	0	109.2
340	S	96.8	Very high	96.9	Very high	6 Å²	6	48.1 Å²	48.1	4%	0.042	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-82.1	156.3	177.1	58.7	0	0	0	0	112.1	A301 R302 D342 G343 R344	A301-S340 WeakPolarHBondContact O-CB 3.32Å; R302-S340 WeakPolarHBondContact O-CA 3.44Å; S340-D342 WeakPolarHBondContact CB-OD1 3.19Å; S340-D342 PolarHBondContact O-N 3.42Å; S340-D342 VanDerWaalsContact O-N 3.15Å; S340-D342 PolarHBondContact OG-OD1 2.67Å; S340-G343 PolarHBondContact O-N 2.88Å; S340-R344 PolarHBondContact N-O 3.05Å; S340-R344 WeakPolarHBondContact OG-CA 3.43Å; S340-R344 WeakPolarHBondContact OG-CB 3.41Å; S340-R344 PolarHBondContact OG-N 2.7Å; S340-R344 PolarHBondContact OG-O 3.47Å; S340-R344 VanDerWaalsContact OG-O 3.07Å
341	E	96.1	Very high	97	Very high	130 Å²	130	46 Å²	46	61%	0.607	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.2	177.3	-70.7	178.6	179.9	0	0	112.8	R302	R302-E341 HydrophobicContact CG-CG 4.14Å; R302-E341 PolarHBondContact O-N 2.67Å
342	D	92.1	Very high	97.1	Very high	65 Å²	65	43 Å²	43	35%	0.348	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	7	171.6	63.7	21.7	0	0	0	113.9	R305 S340 R344	R305-D342 HydrophobicContact CG-CB 4.38Å; S340-D342 WeakPolarHBondContact CB-OD1 3.19Å; S340-D342 PolarHBondContact O-N 3.42Å; S340-D342 VanDerWaalsContact O-N 3.15Å; S340-D342 PolarHBondContact OG-OD1 2.67Å; D342-R344 VanDerWaalsContact CG-NE 3.32Å; D342-R344 IonicContact OD1-CZ 3.96Å; D342-R344 PolarHBondContact OD1-N 3.26Å; D342-R344 IonicContact OD1-NE 3.79Å; D342-R344 PolarHBondContact OD1-NE 2.68Å; D342-R344 IonicContact OD1-NH2 2.69Å; D342-R344 PolarHBondContact OD1-NH2 2.92Å; D342-R344 IonicContact OD2-CZ 3.08Å; D342-R344 IonicContact OD2-NE 3.28Å; D342-R344 PolarHBondContact OD2-NE 3.35Å; D342-R344 VanDerWaalsContact OD2-NE 3.14Å; D342-R344 IonicContact OD2-NH2 3.32Å; D342-R344 PolarHBondContact OD2-NH2 2.78Å
343	G	92.8	Very high	96.9	Very high	58 Å²	58	42 Å²	42	60%	0.598	21%	0.21	S	C	*	.	S	Bend	trans	85.3	7.9	171.4	0	0	0	0	0	115.7	S340	S340-G343 PolarHBondContact O-N 2.88Å
344	R	93.6	Very high	96.7	Very high	53 Å²	53	38 Å²	38	20%	0.2	19%	0.188	C	C	.	.			trans	-85.9	162.9	175.3	-62.2	176.5	-65.9	126.5	12.3	111	G306 V307 D308 S340 D342	G306-R344 VanDerWaalsContact N-NH2 3.11Å; V307-R344 PolarHBondContact O-NH1 2.7Å; V307-R344 PolarHBondContact O-NH2 3.36Å; D308-R344 IonicContact OD1-NH1 3.12Å; D308-R344 PolarHBondContact OD1-NH1 3.08Å; S340-R344 PolarHBondContact N-O 3.05Å; S340-R344 WeakPolarHBondContact OG-CA 3.43Å; S340-R344 WeakPolarHBondContact OG-CB 3.41Å; S340-R344 PolarHBondContact OG-N 2.7Å; S340-R344 PolarHBondContact OG-O 3.47Å; S340-R344 VanDerWaalsContact OG-O 3.07Å; D342-R344 VanDerWaalsContact CG-NE 3.32Å; D342-R344 IonicContact OD1-CZ 3.96Å; D342-R344 PolarHBondContact OD1-N 3.26Å; D342-R344 IonicContact OD1-NE 3.79Å; D342-R344 PolarHBondContact OD1-NE 2.68Å; D342-R344 IonicContact OD1-NH2 2.69Å; D342-R344 PolarHBondContact OD1-NH2 2.92Å; D342-R344 IonicContact OD2-CZ 3.08Å; D342-R344 IonicContact OD2-NE 3.28Å; D342-R344 PolarHBondContact OD2-NE 3.35Å; D342-R344 VanDerWaalsContact OD2-NE 3.14Å; D342-R344 IonicContact OD2-NH2 3.32Å; D342-R344 PolarHBondContact OD2-NH2 2.78Å
345	R	96.8	Very high	96.6	Very high	164 Å²	164	38 Å²	38	62%	0.619	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	110.9	171.1	-66	-170.4	68.4	-159	6.3	109.5	M337 E338	M337-R345 HydrophobicContact CE-CB 3.64Å; M337-R345 VanDerWaalsContact CG-NH2 3.3Å; E338-R345 CarbonylContact O-C 3.58Å; E338-R345 WeakPolarHBondContact O-CA 3.42Å
346	V	98.7	Very high	96.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.1	-174.6	-179.6	0	0	0	0	109.4	A301 V307 V310 E338 V348	A301-V346 HydrophobicContact CB-CB 4.01Å; A301-V346 HydrophobicContact CB-CG1 3.72Å; V307-V346 HydrophobicContact CG1-CG1 4.42Å; V310-V346 HydrophobicContact CG2-CG1 4.11Å; E338-V346 PolarHBondContact N-O 3.46Å; E338-V346 PolarHBondContact O-N 2.81Å; V346-V348 PolarHBondContact O-N 3.41Å
347	P	98.8	Very high	96.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	129.6	171.8	26.5	-36.6	0	0	0	111.7	D308 V309 V310 P335 I336 M337 L361	D308-P347 VanDerWaalsContact O-CD 3.28Å; D308-P347 WeakPolarHBondContact O-CD 3.44Å; V309-P347 HydrophobicContact CB-CG 4.4Å; V309-P347 HydrophobicContact CG1-CG 4.27Å; V309-P347 HydrophobicContact CG2-CG 4Å; V310-P347 PolarHBondContact N-O 3.48Å; P335-P347 HydrophobicContact CB-CB 3.52Å; P335-P347 HydrophobicContact CG-CB 3.7Å; I336-P347 CarbonylContact O-C 3.56Å; I336-P347 WeakPolarHBondContact O-CA 3.47Å; M337-P347 HydrophobicContact CE-CB 4.46Å; M337-P347 HydrophobicContact SD-CB 3.89Å; P347-L361 HydrophobicContact CB-CD2 4.33Å; P347-L361 HydrophobicContact CG-CD2 4.5Å
348	V	98.9	Very high	96.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.1	174.3	-173.7	0	0	0	0	109	I294 D297 R298 A301 V310 I336 E338 V346	I294-V348 HydrophobicContact CD1-CG1 3.9Å; D297-V348 HydrophobicContact CB-CG1 3.75Å; R298-V348 HydrophobicContact CG-CG1 4.29Å; R298-V348 HydrophobicContact CG-CG2 4.41Å; A301-V348 HydrophobicContact CB-CG2 3.52Å; V310-V348 HydrophobicContact CB-CG1 4.24Å; V310-V348 HydrophobicContact CB-CG2 4.18Å; V310-V348 HydrophobicContact CG1-CG1 4.37Å; V310-V348 WeakPolarHBondContact O-CA 3.18Å; I336-V348 HydrophobicContact CB-CB 4.37Å; I336-V348 PolarHBondContact N-O 2.83Å; I336-V348 PolarHBondContact O-N 3.4Å; E338-V348 HydrophobicContact CB-CG2 4.06Å; V346-V348 PolarHBondContact O-N 3.41Å
349	V	98.9	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.9	-176.8	-64.5	0	0	0	0	113	H104 V310 I311 G312 Y334 P335 L361	H104-V349 WeakPolarHBondContact NE2-CG2 3.46Å; V310-V349 PolarHBondContact O-N 2.94Å; I311-V349 HydrophobicContact CB-CG2 4.21Å; I311-V349 HydrophobicContact CG1-CG2 3.75Å; I311-V349 HydrophobicContact CG2-CG2 4.26Å; G312-V349 PolarHBondContact N-O 3.45Å; Y334-V349 HydrophobicContact CD1-CG1 4.37Å; Y334-V349 HydrophobicContact CD2-CB 4.24Å; Y334-V349 HydrophobicContact CD2-CG1 3.95Å; Y334-V349 HydrophobicContact CE1-CG1 3.97Å; Y334-V349 HydrophobicContact CE2-CB 3.6Å; Y334-V349 HydrophobicContact CE2-CG1 3.53Å; Y334-V349 HydrophobicContact CG-CG1 4.37Å; P335-V349 HydrophobicContact CB-CG1 3.58Å; V349-L361 HydrophobicContact CG1-CD1 4.23Å; V349-L361 HydrophobicContact CG1-CD2 4Å; V349-L361 HydrophobicContact CG2-CD2 4.32Å
350	Q	98.6	Very high	96.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.			trans	-138.2	162.7	162	-64.9	-159.3	-11	0	0	108.1	I294 D297 G312 G313 T315 T317	I294-Q350 HydrophobicContact CD1-CG 4.24Å; D297-Q350 PolarHBondContact OD2-NE2 3.44Å; G312-Q350 WeakPolarHBondContact O-CG 3.3Å; G313-Q350 PolarHBondContact O-NE2 2.96Å; T315-Q350 PolarHBondContact OG1-NE2 3.47Å; T315-Q350 PolarHBondContact OG1-OE1 3.19Å; T315-Q350 VanDerWaalsContact OG1-OE1 3.05Å; T317-Q350 WeakPolarHBondContact O-CB 3.31Å; T317-Q350 PolarHBondContact OG1-OE1 3.21Å; T317-Q350 VanDerWaalsContact OG1-OE1 3.09Å
351	A	98	Very high	96.8	Very high	3 Å²	3	27.9 Å²	27.9	3%	0.025	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-123.6	45.4	-176.8	0	0	0	0	0	112.9	N106 A353	N106-A351 WeakPolarHBondContact OD1-CA 3.14Å; N106-A351 PolarHBondContact OD1-N 3.16Å; A351-A353 PolarHBondContact O-N 3.42Å; A351-A353 VanDerWaalsContact O-N 3.13Å
352	Y	96.4	Very high	96.9	Very high	44 Å²	44	24.5 Å²	24.5	17%	0.173	12%	0.121	C	C	.	.			trans	58.4	-112	-176.5	177.2	-118.5	0	0	0	111	N106 N316 T317 F318 E328 F354 K356 Y357	N106-Y352 PolarHBondContact ND2-O 3.13Å; N316-Y352 CarbonylContact C-O 3.56Å; N316-Y352 VanDerWaalsContact CA-O 3.25Å; N316-Y352 WeakPolarHBondContact CA-O 3.47Å; T317-Y352 WeakPolarHBondContact O-CA 3.45Å; T317-Y352 PolarHBondContact O-N 2.87Å; F318-Y352 HydrophobicContact CB-CD2 4.12Å; F318-Y352 HydrophobicContact CB-CG 4.41Å; E328-Y352 HydrophobicContact CG-CD1 4.09Å; E328-Y352 HydrophobicContact CG-CD2 3.95Å; E328-Y352 HydrophobicContact CG-CE1 3.91Å; E328-Y352 HydrophobicContact CG-CE2 3.76Å; E328-Y352 HydrophobicContact CG-CG 4.1Å; Y352-F354 AromaticContact CE1-CD2 3.97Å; Y352-F354 HydrophobicContact CE1-CD2 3.97Å; Y352-F354 HydrophobicContact CE1-CE2 4.48Å; Y352-K356 HydrophobicContact CD1-CB 4.38Å; Y352-K356 HydrophobicContact CE1-CD 4.27Å; Y352-Y357 AromaticContact CD1-CD2 3.97Å; Y352-Y357 HydrophobicContact CD1-CD2 3.97Å; Y352-Y357 HydrophobicContact CD1-CE2 4.01Å; Y352-Y357 HydrophobicContact CG-CD2 4.41Å; Y352-Y357 HydrophobicContact CG-CE2 4.47Å
353	A	91.4	Very high	97.2	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	10%	0.104	C	C	.	.	S	Bend	trans	-168.4	176.5	-172.6	0	0	0	0	0	111.8	D107 N316 A351 G355 K356	D107-A353 HydrophobicContact CB-CB 4.07Å; N316-A353 HydrophobicContact CB-CB 3.99Å; N316-A353 WeakPolarHBondContact OD1-CB 3.45Å; A351-A353 PolarHBondContact O-N 3.42Å; A351-A353 VanDerWaalsContact O-N 3.13Å; A353-G355 PolarHBondContact O-N 2.83Å; A353-K356 PolarHBondContact O-N 3.02Å
354	F	93.1	Very high	97.5	Very high	22 Å²	22	19.4 Å²	19.4	10%	0.096	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	15.5	164.4	-48.1	-48.5	0	0	0	114.8	D107 H109 R111 S119 Y352 K356	D107-F354 PolarHBondContact O-N 3.32Å; H109-F354 HydrophobicContact CB-CD1 4.23Å; H109-F354 HydrophobicContact CB-CE1 4.42Å; H109-F354 AromaticContact CD2-CE1 3.76Å; R111-F354 VanDerWaalsContact CB-O 3.31Å; R111-F354 WeakPolarHBondContact CB-O 3.33Å; R111-F354 HydrophobicContact CG-CB 4.03Å; R111-F354 VanDerWaalsContact NE-CD1 3.27Å; S119-F354 WeakPolarHBondContact OG-CD2 3.13Å; Y352-F354 AromaticContact CE1-CD2 3.97Å; Y352-F354 HydrophobicContact CE1-CD2 3.97Å; Y352-F354 HydrophobicContact CE1-CE2 4.48Å; F354-K356 PolarHBondContact O-N 3.25Å
355	G	96.4	Very high	97.7	Very high	2 Å²	2	17 Å²	17	2%	0.021	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	18.2	-175.6	0	0	0	0	0	114.2	G130 R135 A353 Y357	G130-G355 WeakPolarHBondContact CA-O 3.23Å; R135-G355 VanDerWaalsContact NH2-CA 3.34Å; A353-G355 PolarHBondContact O-N 2.83Å; G355-Y357 VanDerWaalsContact C-N 3.29Å
356	K	97.7	Very high	97.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-69.7	-31	177.2	-176.6	174.6	177.8	-177.3	0	111.7	V117 S326 E328 Y352 A353 F354 L380 L381	V117-K356 PolarHBondContact O-NZ 3.08Å; S326-K356 PolarHBondContact OG-NZ 3.26Å; E328-K356 IonicContact OE1-NZ 2.66Å; E328-K356 PolarHBondContact OE1-NZ 2.81Å; E328-K356 WeakPolarHBondContact OE2-CE 3.38Å; E328-K356 IonicContact OE2-NZ 2.74Å; E328-K356 PolarHBondContact OE2-NZ 3.44Å; Y352-K356 HydrophobicContact CD1-CB 4.38Å; Y352-K356 HydrophobicContact CE1-CD 4.27Å; A353-K356 PolarHBondContact O-N 3.02Å; F354-K356 PolarHBondContact O-N 3.25Å; K356-L380 HydrophobicContact CG-CD1 4.02Å; K356-L381 WeakPolarHBondContact O-CB 3.19Å; K356-L381 PolarHBondContact O-N 2.76Å
357	Y	98.8	Very high	97.3	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.008	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	151.4	175.8	-62.5	-93.5	0	0	0	110.8	F318 P325 S326 E328 Y352 G355 P378 I379 L380	F318-Y357 HydrophobicContact CD2-CE2 4.3Å; F318-Y357 HydrophobicContact CE2-CD1 4.14Å; F318-Y357 HydrophobicContact CE2-CD2 4.27Å; F318-Y357 AromaticContact CE2-CE1 3.76Å; F318-Y357 HydrophobicContact CE2-CE1 3.76Å; F318-Y357 AromaticContact CE2-CE2 3.91Å; F318-Y357 HydrophobicContact CE2-CE2 3.91Å; F318-Y357 HydrophobicContact CE2-CG 4.39Å; F318-Y357 AromaticContact CE2-CZ 3.63Å; F318-Y357 HydrophobicContact CZ-CE1 4.05Å; F318-Y357 HydrophobicContact CZ-CE2 4.49Å; F318-Y357 AromaticContact CZ-CZ 3.87Å; P325-Y357 HydrophobicContact CG-CE1 3.87Å; S326-Y357 WeakPolarHBondContact CB-OH 3.44Å; E328-Y357 HydrophobicContact CG-CE2 4.41Å; E328-Y357 VanDerWaalsContact OE2-CE2 3.31Å; E328-Y357 WeakPolarHBondContact OE2-CE2 3.46Å; E328-Y357 PolarHBondContact OE2-OH 3.27Å; Y352-Y357 AromaticContact CD1-CD2 3.97Å; Y352-Y357 HydrophobicContact CD1-CD2 3.97Å; Y352-Y357 HydrophobicContact CD1-CE2 4.01Å; Y352-Y357 HydrophobicContact CG-CD2 4.41Å; Y352-Y357 HydrophobicContact CG-CE2 4.47Å; G355-Y357 VanDerWaalsContact C-N 3.29Å; Y357-P378 HydrophobicContact CD1-CB 3.91Å; Y357-P378 HydrophobicContact CG-CB 4.11Å; Y357-I379 CarbonylContact C-O 3.6Å; Y357-I379 VanDerWaalsContact CA-O 3.23Å; Y357-I379 WeakPolarHBondContact CA-O 3.41Å; Y357-L380 HydrophobicContact CD1-CB 4.07Å; Y357-L380 HydrophobicContact CD1-CD1 4.2Å; Y357-L380 HydrophobicContact CE1-CB 3.77Å; Y357-L380 HydrophobicContact CE1-CD1 3.65Å; Y357-L380 HydrophobicContact CE1-CG 4.29Å; Y357-L380 HydrophobicContact CE2-CD1 4.33Å
358	L	98.9	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	115.2	162.3	178	63.9	0	0	0	107.8	L103 T105 R135 E138 I139 I142 L151 F360 P378 I379 L381	L103-L358 HydrophobicContact CB-CD1 4.4Å; L103-L358 HydrophobicContact CD2-CD2 4.3Å; L103-L358 HydrophobicContact CD2-CG 4.48Å; T105-L358 HydrophobicContact CG2-CD1 4.07Å; R135-L358 HydrophobicContact CG-CD1 4.3Å; E138-L358 HydrophobicContact CB-CD2 4.27Å; E138-L358 HydrophobicContact CG-CD2 3.95Å; I139-L358 HydrophobicContact CG1-CD1 4.35Å; I139-L358 HydrophobicContact CG1-CD2 3.88Å; I142-L358 HydrophobicContact CD1-CD2 4.24Å; L151-L358 HydrophobicContact CD1-CD1 4.34Å; L358-F360 PolarHBondContact O-N 3.23Å; L358-P378 CarbonylContact O-C 3.59Å; L358-P378 WeakPolarHBondContact O-CA 3.45Å; L358-I379 PolarHBondContact N-O 2.85Å; L358-I379 PolarHBondContact O-N 2.95Å; L358-L381 HydrophobicContact CB-CD1 4.25Å; L358-L381 HydrophobicContact CB-CD2 4.14Å; L358-L381 HydrophobicContact CB-CG 4.35Å
359	G	98.9	Very high	96.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	132.9	173	0	0	0	0	0	110.7	L103 H104	L103-G359 VanDerWaalsContact CA-O 3.27Å; L103-G359 WeakPolarHBondContact CA-O 3.39Å; H104-G359 PolarHBondContact N-O 2.83Å; H104-G359 WeakPolarHBondContact NE2-CA 3.44Å; H104-G359 WeakPolarHBondContact O-CA 3.43Å; H104-G359 PolarHBondContact O-N 3.28Å
360	F	98.9	Very high	96.5	Very high	41 Å²	41	22.3 Å²	22.3	18%	0.18	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	106.9	177.7	174.5	-89.6	0	0	0	108.8	V101 L103 I142 Y334 L358 K362 G376 N377 I379	V101-F360 HydrophobicContact CG1-CD2 3.86Å; V101-F360 HydrophobicContact CG1-CE2 3.55Å; V101-F360 HydrophobicContact CG1-CZ 4.32Å; V101-F360 HydrophobicContact CG2-CE2 4.46Å; L103-F360 HydrophobicContact CD2-CB 4.37Å; L103-F360 HydrophobicContact CD2-CD2 3.68Å; I142-F360 HydrophobicContact CD1-CD2 3.99Å; I142-F360 HydrophobicContact CD1-CE2 4.38Å; I142-F360 HydrophobicContact CG2-CD2 4.45Å; I142-F360 HydrophobicContact CG2-CE2 4.04Å; Y334-F360 WeakPolarHBondContact CE1-O 3.41Å; Y334-F360 PolarHBondContact OH-N 3.43Å; Y334-F360 PolarHBondContact OH-O 3.3Å; Y334-F360 VanDerWaalsContact OH-O 3.14Å; L358-F360 PolarHBondContact O-N 3.23Å; F360-K362 HydrophobicContact CE1-CB 4.41Å; F360-G376 WeakPolarHBondContact O-CA 3.28Å; F360-N377 WeakPolarHBondContact CB-O 3.44Å; F360-N377 PolarHBondContact O-N 3.48Å; F360-I379 HydrophobicContact CB-CD1 3.78Å; F360-I379 HydrophobicContact CB-CG1 3.97Å; F360-I379 HydrophobicContact CD2-CD1 4.19Å; F360-I379 HydrophobicContact CG-CD1 4.1Å
361	L	98.9	Very high	96.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.9	174.5	-175	69	0	0	0	109.7	V101 L102 V309 Y334 P335 P347 V349 V363	V101-L361 WeakPolarHBondContact CA-O 3.33Å; L102-L361 HydrophobicContact CB-CB 4.34Å; L102-L361 HydrophobicContact CD1-CD2 4.43Å; L102-L361 PolarHBondContact N-O 2.77Å; L102-L361 PolarHBondContact O-N 3.28Å; V309-L361 HydrophobicContact CG1-CD2 3.84Å; Y334-L361 HydrophobicContact CD1-CD1 4.48Å; Y334-L361 HydrophobicContact CE1-CB 4.13Å; Y334-L361 HydrophobicContact CE1-CD1 3.79Å; Y334-L361 WeakPolarHBondContact OH-CB 3.43Å; Y334-L361 PolarHBondContact OH-N 3.26Å; P335-L361 HydrophobicContact CB-CD1 4.17Å; P335-L361 HydrophobicContact CG-CD1 4Å; P347-L361 HydrophobicContact CB-CD2 4.33Å; P347-L361 HydrophobicContact CG-CD2 4.5Å; V349-L361 HydrophobicContact CG1-CD1 4.23Å; V349-L361 HydrophobicContact CG1-CD2 4Å; V349-L361 HydrophobicContact CG2-CD2 4.32Å; L361-V363 HydrophobicContact CD2-CG2 3.62Å; L361-V363 HydrophobicContact CG-CG2 3.65Å
362	K	98.8	Very high	96.4	Very high	59 Å²	59	27.6 Å²	27.6	26%	0.257	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.5	172.7	-166.8	164.8	-162.3	161.2	0	108.9	T99 V101 E146 F360 S374 T375	T99-K362 HydrophobicContact CG2-CD 3.96Å; T99-K362 HydrophobicContact CG2-CG 3.37Å; V101-K362 HydrophobicContact CG2-CB 4.48Å; V101-K362 HydrophobicContact CG2-CD 4.29Å; V101-K362 HydrophobicContact CG2-CG 4.07Å; E146-K362 IonicContact OE1-NZ 2.75Å; E146-K362 PolarHBondContact OE1-NZ 3.4Å; E146-K362 WeakPolarHBondContact OE2-CE 3.31Å; E146-K362 IonicContact OE2-NZ 3.95Å; E146-K362 PolarHBondContact OE2-NZ 2.88Å; F360-K362 HydrophobicContact CE1-CB 4.41Å; K362-S374 WeakPolarHBondContact O-CA 3.15Å; K362-T375 WeakPolarHBondContact CB-O 3.22Å; K362-T375 PolarHBondContact N-O 2.83Å; K362-T375 PolarHBondContact O-N 2.85Å
363	V	98.8	Very high	96.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124	-176.2	-168.9	0	0	0	0	109.2	T99 L100 L102 V309 L361 F365 V371 R373	T99-V363 CarbonylContact C-O 3.57Å; T99-V363 WeakPolarHBondContact CA-O 3.5Å; L100-V363 PolarHBondContact N-O 2.71Å; L100-V363 PolarHBondContact O-N 3.27Å; L102-V363 HydrophobicContact CD1-CG2 4.04Å; V309-V363 HydrophobicContact CG2-CG1 4.24Å; V309-V363 HydrophobicContact CG2-CG2 4.1Å; L361-V363 HydrophobicContact CD2-CG2 3.62Å; L361-V363 HydrophobicContact CG-CG2 3.65Å; V363-F365 HydrophobicContact CB-CE2 3.77Å; V363-F365 HydrophobicContact CB-CZ 4.13Å; V363-F365 HydrophobicContact CG1-CD2 4.12Å; V363-F365 HydrophobicContact CG1-CE1 4.11Å; V363-F365 HydrophobicContact CG1-CE2 3.5Å; V363-F365 HydrophobicContact CG1-CZ 3.5Å; V363-V371 HydrophobicContact CG1-CB 4.35Å; V363-V371 HydrophobicContact CG1-CG1 3.72Å; V363-V371 HydrophobicContact CG1-CG2 3.81Å; V363-R373 CarbonylContact C-O 3.13Å; V363-R373 WeakPolarHBondContact CA-O 2.97Å
364	T	98.4	Very high	96.7	Very high	16 Å²	16	33.8 Å²	33.8	10%	0.098	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.7	175.7	-55.5	0	0	0	0	108.8	D97 W98 T99 V372 R373	D97-T364 HydrophobicContact CB-CG2 3.62Å; W98-T364 WeakPolarHBondContact O-CA 3.49Å; T99-T364 PolarHBondContact OG1-OG1 3.32Å; T364-V372 HydrophobicContact CG2-CG2 3.71Å; T364-V372 VanDerWaalsContact O-CG2 3.29Å; T364-V372 WeakPolarHBondContact O-CG2 3.24Å; T364-V372 PolarHBondContact O-N 2.87Å; T364-R373 PolarHBondContact N-O 2.99Å; T364-R373 PolarHBondContact O-N 3.33Å
365	F	98	Very high	96.9	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	144.7	-179.2	-61.9	-92.4	0	0	0	110.5	W98 L100 K285 D308 V309 V363 G369 N370 V371	W98-F365 AromaticContact CE3-CD2 3.82Å; W98-F365 HydrophobicContact CE3-CD2 3.82Å; W98-F365 AromaticContact CZ3-CD2 3.95Å; W98-F365 HydrophobicContact CZ3-CD2 3.95Å; W98-F365 HydrophobicContact CZ3-CE2 4.2Å; W98-F365 PolarHBondContact N-O 2.67Å; W98-F365 PolarHBondContact O-N 3.05Å; L100-F365 HydrophobicContact CB-CE2 4.12Å; L100-F365 HydrophobicContact CD2-CE2 4.43Å; K285-F365 HydrophobicContact CB-CE1 4.24Å; K285-F365 HydrophobicContact CB-CZ 4.49Å; K285-F365 HydrophobicContact CD-CB 4.14Å; K285-F365 HydrophobicContact CD-CD1 4.12Å; K285-F365 HydrophobicContact CD-CD2 4.08Å; K285-F365 HydrophobicContact CD-CE2 4.5Å; K285-F365 HydrophobicContact CD-CG 3.86Å; K285-F365 HydrophobicContact CG-CD1 4.09Å; K285-F365 HydrophobicContact CG-CE1 4.3Å; K285-F365 HydrophobicContact CG-CG 4.35Å; D308-F365 HydrophobicContact CB-CE1 3.96Å; V309-F365 HydrophobicContact CG2-CZ 4.43Å; V363-F365 HydrophobicContact CB-CE2 3.77Å; V363-F365 HydrophobicContact CB-CZ 4.13Å; V363-F365 HydrophobicContact CG1-CD2 4.12Å; V363-F365 HydrophobicContact CG1-CE1 4.11Å; V363-F365 HydrophobicContact CG1-CE2 3.5Å; V363-F365 HydrophobicContact CG1-CZ 3.5Å; F365-G369 VanDerWaalsContact CD1-O 3.31Å; F365-G369 WeakPolarHBondContact CD1-O 3.48Å; F365-N370 VanDerWaalsContact CA-O 3.25Å; F365-N370 WeakPolarHBondContact CA-O 3.47Å; F365-V371 HydrophobicContact CD1-CG2 4.01Å; F365-V371 HydrophobicContact CE1-CG2 3.59Å; F365-V371 HydrophobicContact CZ-CG2 4.26Å
366	D	95.5	Very high	97	Very high	44 Å²	44	36.4 Å²	36.4	24%	0.235	20%	0.203	C	C	.	.			trans	-77.7	176.9	164.1	70	18.3	0	0	0	111.6	K285 G368 G369 N370 V372	K285-D366 PolarHBondContact NZ-O 2.9Å; D366-G368 PolarHBondContact O-N 2.92Å; D366-G368 VanDerWaalsContact OD1-CA 3.23Å; D366-G368 WeakPolarHBondContact OD1-CA 3.18Å; D366-G368 PolarHBondContact OD1-N 3.27Å; D366-G369 PolarHBondContact O-N 2.8Å; D366-G369 PolarHBondContact OD1-N 3.22Å; D366-N370 PolarHBondContact N-O 2.79Å; D366-N370 PolarHBondContact OD1-N 3.25Å; D366-N370 PolarHBondContact OD1-ND2 3.28Å; D366-N370 WeakPolarHBondContact OD2-CB 3.01Å; D366-N370 PolarHBondContact OD2-ND2 3.35Å; D366-V372 HydrophobicContact CB-CG1 3.97Å
367	D	91.7	Very high	97.1	Very high	110 Å²	110	38.1 Å²	38.1	59%	0.588	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.7	176.4	-76	-3.6	0	0	0	112.7	G95 N284 G369	G95-D367 VanDerWaalsContact CA-OD1 3.24Å; G95-D367 WeakPolarHBondContact CA-OD1 2.96Å; G95-D367 WeakPolarHBondContact CA-OD2 3.24Å; N284-D367 PolarHBondContact ND2-O 3.46Å; D367-G369 PolarHBondContact O-N 3.35Å
368	G	92	Very high	97.1	Very high	47 Å²	47	38.2 Å²	38.2	49%	0.485	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.3	176.4	0	0	0	0	0	113.1	N284 D366	N284-G368 PolarHBondContact ND2-O 2.76Å; N284-G368 VanDerWaalsContact ND2-O 3.13Å; D366-G368 PolarHBondContact O-N 2.92Å; D366-G368 VanDerWaalsContact OD1-CA 3.23Å; D366-G368 WeakPolarHBondContact OD1-CA 3.18Å; D366-G368 PolarHBondContact OD1-N 3.27Å
369	G	93.4	Very high	97.1	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.021	22%	0.221	C	C	.	.	S	Bend	trans	95.2	4.7	-174.4	0	0	0	0	0	114.4	N284 F365 D366 D367	N284-G369 WeakPolarHBondContact O-CA 3.11Å; F365-G369 VanDerWaalsContact CD1-O 3.31Å; F365-G369 WeakPolarHBondContact CD1-O 3.48Å; D366-G369 PolarHBondContact O-N 2.8Å; D366-G369 PolarHBondContact OD1-N 3.22Å; D367-G369 PolarHBondContact O-N 3.35Å
370	N	94.7	Very high	97.1	Very high	74 Å²	74	41 Å²	41	40%	0.396	23%	0.227	S	C	.	.			trans	-79.3	140.8	179.2	-49.6	-68	0	0	0	110.8	F365 D366 V372	F365-N370 VanDerWaalsContact CA-O 3.25Å; F365-N370 WeakPolarHBondContact CA-O 3.47Å; D366-N370 PolarHBondContact N-O 2.79Å; D366-N370 PolarHBondContact OD1-N 3.25Å; D366-N370 PolarHBondContact OD1-ND2 3.28Å; D366-N370 WeakPolarHBondContact OD2-CB 3.01Å; D366-N370 PolarHBondContact OD2-ND2 3.35Å; N370-V372 PolarHBondContact O-N 2.88Å
371	V	97.2	Very high	97.1	Very high	35 Å²	35	39 Å²	39	21%	0.212	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	111.6	171.7	179.2	0	0	0	0	109.8	D308 V363 F365	D308-V371 HydrophobicContact CB-CG2 3.9Å; V363-V371 HydrophobicContact CG1-CB 4.35Å; V363-V371 HydrophobicContact CG1-CG1 3.72Å; V363-V371 HydrophobicContact CG1-CG2 3.81Å; F365-V371 HydrophobicContact CD1-CG2 4.01Å; F365-V371 HydrophobicContact CE1-CG2 3.59Å; F365-V371 HydrophobicContact CZ-CG2 4.26Å
372	V	96.6	Very high	96.9	Very high	79 Å²	79	41.2 Å²	41.2	48%	0.479	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-25.6	175.5	-64.1	0	0	0	0	112.3	T364 D366 N370	T364-V372 HydrophobicContact CG2-CG2 3.71Å; T364-V372 VanDerWaalsContact O-CG2 3.29Å; T364-V372 WeakPolarHBondContact O-CG2 3.24Å; T364-V372 PolarHBondContact O-N 2.87Å; D366-V372 HydrophobicContact CB-CG1 3.97Å; N370-V372 PolarHBondContact O-N 2.88Å
373	R	97.3	Very high	96.7	Very high	156 Å²	156	41.7 Å²	41.7	59%	0.589	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-153.7	136.4	177.7	-173.8	176.8	173.6	-155.3	-2.7	111.4	V363 T364 T375	V363-R373 CarbonylContact C-O 3.13Å; V363-R373 WeakPolarHBondContact CA-O 2.97Å; T364-R373 PolarHBondContact N-O 2.99Å; T364-R373 PolarHBondContact O-N 3.33Å; R373-T375 HydrophobicContact CG-CG2 4.13Å
374	S	97.6	Very high	96.6	Very high	20 Å²	20	46.2 Å²	46.2	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	119.2	172.2	57	0	0	0	0	109.9	M337 K362	M337-S374 PolarHBondContact SD-OG 3.48Å; M337-S374 VanDerWaalsContact SD-OG 3.37Å; K362-S374 WeakPolarHBondContact O-CA 3.15Å
375	T	97.3	Very high	96.6	Very high	57 Å²	57	46.4 Å²	46.4	35%	0.35	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.2	-178.7	55.8	0	0	0	0	111.1	K362 R373	K362-T375 WeakPolarHBondContact CB-O 3.22Å; K362-T375 PolarHBondContact N-O 2.83Å; K362-T375 PolarHBondContact O-N 2.85Å; R373-T375 HydrophobicContact CG-CG2 4.13Å
376	G	98.1	Very high	96.5	Very high	21 Å²	21	54 Å²	54	22%	0.216	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.2	-170.7	176.6	0	0	0	0	0	111.6	Y334 F360	Y334-G376 VanDerWaalsContact CD1-C 3.43Å; Y334-G376 WeakPolarHBondContact CD1-O 3.33Å; F360-G376 WeakPolarHBondContact O-CA 3.28Å
377	N	98.8	Very high	96.7	Very high	37 Å²	37	53.9 Å²	53.9	20%	0.198	31%	0.306	C	S	.	.			trans	-164.8	151.3	170.3	-98.3	-45.8	0	0	0	108.2	Y320 T321 F360 I379	Y320-N377 WeakPolarHBondContact CA-OD1 3.37Å; Y320-N377 HydrophobicContact CD2-CB 4.35Å; Y320-N377 HydrophobicContact CE2-CB 3.89Å; T321-N377 PolarHBondContact N-OD1 3.17Å; T321-N377 PolarHBondContact O-ND2 3.13Å; F360-N377 WeakPolarHBondContact CB-O 3.44Å; F360-N377 PolarHBondContact O-N 3.48Å; N377-I379 PolarHBondContact O-N 2.95Å
378	P	98.8	Very high	97	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.019	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-60.6	129.1	169.1	-19.8	32.8	0	0	0	110.7	F318 L319 Y334 Y357 L358	F318-P378 HydrophobicContact CE2-CG 4.47Å; L319-P378 WeakPolarHBondContact O-CD 3.05Å; L319-P378 VanDerWaalsContact O-CG 3.31Å; L319-P378 WeakPolarHBondContact O-CG 3.34Å; Y334-P378 HydrophobicContact CD2-CG 3.69Å; Y334-P378 HydrophobicContact CE2-CG 3.79Å; Y334-P378 HydrophobicContact CG-CG 4.41Å; Y357-P378 HydrophobicContact CD1-CB 3.91Å; Y357-P378 HydrophobicContact CG-CB 4.11Å; L358-P378 CarbonylContact O-C 3.59Å; L358-P378 WeakPolarHBondContact O-CA 3.45Å
379	I	98.9	Very high	97.3	Very high	36 Å²	36	53.8 Å²	53.8	19%	0.185	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	118.9	179.9	-57.8	170.3	0	0	0	108.1	E138 I142 Y357 L358 F360 N377 L381 I385	E138-I379 HydrophobicContact CG-CD1 4.33Å; E138-I379 HydrophobicContact CG-CG2 4.29Å; I142-I379 HydrophobicContact CD1-CD1 3.69Å; Y357-I379 CarbonylContact C-O 3.6Å; Y357-I379 VanDerWaalsContact CA-O 3.23Å; Y357-I379 WeakPolarHBondContact CA-O 3.41Å; L358-I379 PolarHBondContact N-O 2.85Å; L358-I379 PolarHBondContact O-N 2.95Å; F360-I379 HydrophobicContact CB-CD1 3.78Å; F360-I379 HydrophobicContact CB-CG1 3.97Å; F360-I379 HydrophobicContact CD2-CD1 4.19Å; F360-I379 HydrophobicContact CG-CD1 4.1Å; N377-I379 PolarHBondContact O-N 2.95Å; I379-L381 PolarHBondContact O-N 3.45Å; I379-I385 HydrophobicContact CG2-CD1 4.25Å
380	L	98.8	Very high	97.6	Very high	23 Å²	23	56 Å²	56	12%	0.12	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	120.8	174.3	179	64.9	0	0	0	109.4	Y129 P325 K356 Y357 D382	Y129-L380 HydrophobicContact CD1-CD1 3.86Å; Y129-L380 HydrophobicContact CD1-CD2 4.43Å; Y129-L380 HydrophobicContact CD1-CG 4.25Å; Y129-L380 HydrophobicContact CE1-CD1 4.3Å; Y129-L380 HydrophobicContact CE1-CD2 4.15Å; Y129-L380 HydrophobicContact CE1-CG 4.46Å; P325-L380 HydrophobicContact CB-CB 4.29Å; P325-L380 HydrophobicContact CB-CD2 4Å; P325-L380 HydrophobicContact CG-CB 3.92Å; P325-L380 HydrophobicContact CG-CD2 4.23Å; K356-L380 HydrophobicContact CG-CD1 4.02Å; Y357-L380 HydrophobicContact CD1-CB 4.07Å; Y357-L380 HydrophobicContact CD1-CD1 4.2Å; Y357-L380 HydrophobicContact CE1-CB 3.77Å; Y357-L380 HydrophobicContact CE1-CD1 3.65Å; Y357-L380 HydrophobicContact CE1-CG 4.29Å; Y357-L380 HydrophobicContact CE2-CD1 4.33Å; L380-D382 VanDerWaalsContact C-N 3.3Å; L380-D382 HydrophobicContact CD2-CB 4.13Å; L380-D382 HydrophobicContact CG-CB 4.09Å; L380-D382 PolarHBondContact O-N 2.84Å; L380-D382 VanDerWaalsContact O-N 3.1Å
381	L	98.6	Very high	97.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.292	C	S	.	.			trans	-87.4	69.3	178.2	-60.8	-180	0	0	0	110	Y129 G130 R134 R135 E138 K356 L358 I379 I385	Y129-L381 CarbonylContact C-O 3.6Å; Y129-L381 WeakPolarHBondContact CA-O 3.08Å; G130-L381 PolarHBondContact N-O 3.47Å; R134-L381 VanDerWaalsContact CD-C 3.47Å; R134-L381 WeakPolarHBondContact CD-O 3.23Å; R134-L381 HydrophobicContact CG-CB 4.19Å; R135-L381 HydrophobicContact CB-CD1 3.92Å; R135-L381 HydrophobicContact CG-CD1 3.95Å; E138-L381 HydrophobicContact CB-CD2 3.99Å; E138-L381 HydrophobicContact CG-CD2 4.16Å; K356-L381 WeakPolarHBondContact O-CB 3.19Å; K356-L381 PolarHBondContact O-N 2.76Å; L358-L381 HydrophobicContact CB-CD1 4.25Å; L358-L381 HydrophobicContact CB-CD2 4.14Å; L358-L381 HydrophobicContact CB-CG 4.35Å; I379-L381 PolarHBondContact O-N 3.45Å; L381-I385 HydrophobicContact CD2-CD1 3.84Å
382	D	96.8	Very high	97.8	Very high	45 Å²	45	52.3 Å²	52.3	24%	0.241	29%	0.289	C	S	.	.			trans	-90.9	-176.9	178.1	76	7.4	0	0	0	113.4	Y129 R134 L380 S384 I385	Y129-D382 HydrophobicContact CD1-CB 3.56Å; Y129-D382 HydrophobicContact CE1-CB 3.54Å; R134-D382 WeakPolarHBondContact CD-O 3.48Å; R134-D382 PolarHBondContact NE-O 3.44Å; L380-D382 VanDerWaalsContact C-N 3.3Å; L380-D382 HydrophobicContact CD2-CB 4.13Å; L380-D382 HydrophobicContact CG-CB 4.09Å; L380-D382 PolarHBondContact O-N 2.84Å; L380-D382 VanDerWaalsContact O-N 3.1Å; D382-S384 PolarHBondContact O-N 2.85Å; D382-S384 WeakPolarHBondContact OD1-CA 3.33Å; D382-S384 WeakPolarHBondContact OD1-CB 3.1Å; D382-S384 PolarHBondContact OD1-N 3.38Å; D382-S384 PolarHBondContact OD1-OG 3.05Å; D382-I385 PolarHBondContact O-N 2.03Å; D382-I385 VanDerWaalsContact O-N 3.07Å
383	S	94.3	Very high	97.9	Very high	70 Å²	70	51.6 Å²	51.6	49%	0.49	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-9.7	-180	61.5	0	0	0	0	115	C128 I385	C128-S383 PolarHBondContact O-N 2.78Å; S383-I385 VanDerWaalsContact C-N 3.26Å
384	S	96.1	Very high	97.9	Very high	94 Å²	94	46.3 Å²	46.3	66%	0.657	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-25.3	172.3	73	0	0	0	0	112.2	D382	D382-S384 PolarHBondContact O-N 2.85Å; D382-S384 WeakPolarHBondContact OD1-CA 3.33Å; D382-S384 WeakPolarHBondContact OD1-CB 3.1Å; D382-S384 PolarHBondContact OD1-N 3.38Å; D382-S384 PolarHBondContact OD1-OG 3.05Å
385	I	97.9	Very high	97.9	Very high	21 Å²	21	45.5 Å²	45.5	11%	0.108	27%	0.267	C	S	.	.	S	Bend	trans	-91.2	117.1	172.5	-55.8	176.8	0	0	0	108.3	R134 T137 E138 I379 L381 D382 S383	R134-I385 HydrophobicContact CG-CB 3.84Å; R134-I385 HydrophobicContact CG-CG2 3.73Å; R134-I385 PolarHBondContact NE-O 2.85Å; T137-I385 HydrophobicContact CG2-CG2 3.98Å; E138-I385 HydrophobicContact CB-CD1 4.3Å; E138-I385 HydrophobicContact CB-CG2 4.34Å; E138-I385 HydrophobicContact CG-CD1 4.17Å; I379-I385 HydrophobicContact CG2-CD1 4.25Å; L381-I385 HydrophobicContact CD2-CD1 3.84Å; D382-I385 PolarHBondContact O-N 2.03Å; D382-I385 VanDerWaalsContact O-N 3.07Å; S383-I385 VanDerWaalsContact C-N 3.26Å
386	Q	97.2	Very high	97.8	Very high	159 Å²	159	46.9 Å²	46.9	74%	0.743	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-66.7	143.8	177.8	-65.6	-174.3	3.4	0	0	110.8	T137	T137-Q386 WeakPolarHBondContact CB-O 3.23Å; T137-Q386 WeakPolarHBondContact CG2-O 3.5Å; T137-Q386 PolarHBondContact OG1-O 3Å
387	Q	98.3	Very high	97.6	Very high	43 Å²	43	48.3 Å²	48.3	20%	0.201	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-70.9	141.8	171.7	-71.2	177.7	-48.6	0	0	110.4	E114 A133 R134 M389 L392	E114-Q387 PolarHBondContact OE2-NE2 2.89Å; A133-Q387 HydrophobicContact CB-CB 3.91Å; A133-Q387 HydrophobicContact CB-CG 4.15Å; R134-Q387 HydrophobicContact CB-CG 4.12Å; Q387-M389 PolarHBondContact O-N 2.84Å; Q387-L392 HydrophobicContact CB-CD2 4.29Å
388	D	98.7	Very high	97.4	Very high	15 Å²	15	49.6 Å²	49.6	8%	0.08	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-67.1	118.6	170.2	-178.4	-84.8	0	0	0	109.6	A133 A136 T137 R140 A390 V391 L392	A133-D388 WeakPolarHBondContact O-CB 3.19Å; A133-D388 PolarHBondContact O-N 3.48Å; A136-D388 HydrophobicContact CB-CB 4.03Å; T137-D388 PolarHBondContact OG1-N 3.4Å; R140-D388 IonicContact CZ-OD2 2.75Å; R140-D388 IonicContact NH1-OD2 2.66Å; R140-D388 PolarHBondContact NH1-OD2 2.88Å; R140-D388 IonicContact NH2-OD1 3.9Å; R140-D388 IonicContact NH2-OD2 3.53Å; R140-D388 PolarHBondContact NH2-OD2 2.91Å; D388-A390 VanDerWaalsContact C-N 3.29Å; D388-A390 PolarHBondContact O-N 2.89Å; D388-A390 WeakPolarHBondContact OD1-CA 3.17Å; D388-A390 WeakPolarHBondContact OD1-CB 3.23Å; D388-A390 PolarHBondContact OD1-N 2.78Å; D388-V391 HydrophobicContact CB-CB 4.19Å; D388-V391 HydrophobicContact CB-CG2 4.21Å; D388-V391 PolarHBondContact O-N 3.49Å; D388-V391 WeakPolarHBondContact OD1-CG2 3.27Å; D388-V391 PolarHBondContact OD1-N 2.88Å; D388-L392 VanDerWaalsContact O-CB 3.23Å; D388-L392 WeakPolarHBondContact O-CB 3.48Å; D388-L392 PolarHBondContact O-N 2.79Å
389	M	98.4	Very high	97	Very high	140 Å²	140	51.8 Å²	51.8	69%	0.69	29%	0.291	S	S	*	.	H	α-helix	trans	-65.7	-28.7	-173.1	-67	-57.4	-57.5	0	0	113.7	Q387 L392 A393	Q387-M389 PolarHBondContact O-N 2.84Å; M389-L392 HydrophobicContact CE-CD2 4.46Å; M389-L392 HydrophobicContact SD-CD2 4.3Å; M389-A393 WeakPolarHBondContact O-CB 3.12Å; M389-A393 PolarHBondContact O-N 3.02Å; M389-A393 VanDerWaalsContact O-N 3.11Å
390	A	98.3	Very high	96.6	Very high	47 Å²	47	56 Å²	56	39%	0.388	31%	0.31	S	S	.	.	H	α-helix	trans	-75.7	-46.4	178.9	0	0	0	0	0	110.5	D388 L392 A393 E394	D388-A390 VanDerWaalsContact C-N 3.29Å; D388-A390 PolarHBondContact O-N 2.89Å; D388-A390 WeakPolarHBondContact OD1-CA 3.17Å; D388-A390 WeakPolarHBondContact OD1-CB 3.23Å; D388-A390 PolarHBondContact OD1-N 2.78Å; A390-L392 VanDerWaalsContact C-N 3.33Å; A390-L392 PolarHBondContact O-N 2.69Å; A390-A393 PolarHBondContact O-N 3.18Å; A390-E394 WeakPolarHBondContact O-CG 3.18Å; A390-E394 PolarHBondContact O-N 3.23Å
391	V	98.6	Very high	95.8	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.018	33%	0.328	C	S	.	.	H	α-helix	trans	-64	-40.6	175.1	179.9	0	0	0	0	110.8	V132 A133 A136 F175 R178 D388 A393 E394 V395	V132-V391 HydrophobicContact CG2-CG1 3.88Å; A133-V391 HydrophobicContact CB-CB 4.2Å; A133-V391 HydrophobicContact CB-CG1 4.05Å; A136-V391 HydrophobicContact CB-CB 4.5Å; A136-V391 HydrophobicContact CB-CG2 3.94Å; F175-V391 HydrophobicContact CD1-CG1 4.13Å; F175-V391 HydrophobicContact CE1-CG1 4.22Å; R178-V391 HydrophobicContact CG-CG2 3.85Å; D388-V391 HydrophobicContact CB-CB 4.19Å; D388-V391 HydrophobicContact CB-CG2 4.21Å; D388-V391 PolarHBondContact O-N 3.49Å; D388-V391 WeakPolarHBondContact OD1-CG2 3.27Å; D388-V391 PolarHBondContact OD1-N 2.88Å; V391-A393 VanDerWaalsContact C-N 3.33Å; V391-A393 PolarHBondContact O-N 3.29Å; V391-E394 WeakPolarHBondContact O-CB 3.29Å; V391-E394 PolarHBondContact O-N 3.43Å; V391-V395 WeakPolarHBondContact O-CG2 3.41Å; V391-V395 PolarHBondContact O-N 2.93Å
392	L	98.2	Very high	95.1	Very high	30 Å²	30	59.4 Å²	59.4	16%	0.157	33%	0.328	C	S	.	.	H	α-helix	trans	-60.7	-41.5	176.3	-179.1	61.6	0	0	0	111.9	A133 Q387 D388 M389 A390 E394 V395 E396	A133-L392 HydrophobicContact CB-CB 3.94Å; A133-L392 HydrophobicContact CB-CD1 4.48Å; Q387-L392 HydrophobicContact CB-CD2 4.29Å; D388-L392 VanDerWaalsContact O-CB 3.23Å; D388-L392 WeakPolarHBondContact O-CB 3.48Å; D388-L392 PolarHBondContact O-N 2.79Å; M389-L392 HydrophobicContact CE-CD2 4.46Å; M389-L392 HydrophobicContact SD-CD2 4.3Å; A390-L392 VanDerWaalsContact C-N 3.33Å; A390-L392 PolarHBondContact O-N 2.69Å; L392-E394 VanDerWaalsContact C-N 3.29Å; L392-E394 PolarHBondContact O-N 3.34Å; L392-V395 PolarHBondContact O-N 3.42Å; L392-E396 HydrophobicContact CD1-CG 4.29Å; L392-E396 HydrophobicContact CG-CG 4.5Å; L392-E396 WeakPolarHBondContact O-CG 3.29Å; L392-E396 PolarHBondContact O-N 3.29Å
393	A	98.1	Very high	94.2	Very high	63 Å²	63	60.4 Å²	60.4	52%	0.521	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-37.4	176.5	0	0	0	0	0	112.2	M389 A390 V391 A397	M389-A393 WeakPolarHBondContact O-CB 3.12Å; M389-A393 PolarHBondContact O-N 3.02Å; M389-A393 VanDerWaalsContact O-N 3.11Å; A390-A393 PolarHBondContact O-N 3.18Å; V391-A393 VanDerWaalsContact C-N 3.33Å; V391-A393 PolarHBondContact O-N 3.29Å; A393-A397 WeakPolarHBondContact O-CB 3.46Å; A393-A397 PolarHBondContact O-N 2.91Å
394	E	97.8	Very high	93.3	Very high	45 Å²	45	61.8 Å²	61.8	21%	0.21	35%	0.345	C	S	.	.	H	α-helix	trans	-66.1	-43.8	174.3	-65.4	170.7	-138.6	0	0	111.4	H174 F175 R178 A390 V391 L392 A397 W398	H174-E394 IonicContact CD2-OE2 3.74Å; H174-E394 IonicContact CE1-OE2 2.95Å; H174-E394 IonicContact NE2-OE2 2.83Å; H174-E394 PolarHBondContact NE2-OE2 3.44Å; F175-E394 HydrophobicContact CE1-CB 4.07Å; F175-E394 HydrophobicContact CZ-CB 4.46Å; R178-E394 IonicContact CZ-OE1 2.91Å; R178-E394 IonicContact NE-OE1 3.21Å; R178-E394 PolarHBondContact NE-OE1 3.18Å; R178-E394 IonicContact NE-OE2 3.55Å; R178-E394 IonicContact NH2-OE1 2.93Å; R178-E394 PolarHBondContact NH2-OE1 2.9Å; R178-E394 VanDerWaalsContact NH2-OE1 3.11Å; A390-E394 WeakPolarHBondContact O-CG 3.18Å; A390-E394 PolarHBondContact O-N 3.23Å; V391-E394 WeakPolarHBondContact O-CB 3.29Å; V391-E394 PolarHBondContact O-N 3.43Å; L392-E394 VanDerWaalsContact C-N 3.29Å; L392-E394 PolarHBondContact O-N 3.34Å; E394-A397 PolarHBondContact O-N 2.89Å; E394-W398 VanDerWaalsContact O-CD1 3.26Å; E394-W398 PolarHBondContact O-N 2.87Å; E394-W398 VanDerWaalsContact O-N 3.12Å
395	V	97.3	Very high	92.1	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.024	35%	0.345	C	S	.	.	H	α-helix	trans	-58	-50.5	174.4	173.1	0	0	0	0	110.9	V112 E113 V132 W163 F175 V391 L392 A397 W398 K399	V112-V395 HydrophobicContact CG1-CG1 4.16Å; V112-V395 HydrophobicContact CG1-CG2 3.84Å; E113-V395 HydrophobicContact CG-CG1 3.83Å; V132-V395 HydrophobicContact CG2-CG2 3.58Å; W163-V395 HydrophobicContact CH2-CG1 4Å; W163-V395 WeakPolarHBondContact CH2-O 3.22Å; W163-V395 HydrophobicContact CZ2-CG1 4.03Å; F175-V395 HydrophobicContact CD1-CG2 4.49Å; F175-V395 HydrophobicContact CE1-CG2 3.66Å; F175-V395 HydrophobicContact CE2-CG2 4.33Å; F175-V395 HydrophobicContact CZ-CB 4.37Å; F175-V395 HydrophobicContact CZ-CG2 3.57Å; V391-V395 WeakPolarHBondContact O-CG2 3.41Å; V391-V395 PolarHBondContact O-N 2.93Å; L392-V395 PolarHBondContact O-N 3.42Å; V395-A397 VanDerWaalsContact C-N 3.29Å; V395-A397 PolarHBondContact O-N 3.31Å; V395-W398 PolarHBondContact O-N 2.82Å; V395-K399 WeakPolarHBondContact O-CB 3.46Å; V395-K399 PolarHBondContact O-N 3.36Å
396	E	95.3	Very high	91.5	Very high	86 Å²	86	64 Å²	64	40%	0.402	34%	0.344	S	S	.	.	H	α-helix	trans	-64.9	-32.7	-179.3	-71.4	-62.2	159.9	0	0	112.7	L392 K399 Q400	L392-E396 HydrophobicContact CD1-CG 4.29Å; L392-E396 HydrophobicContact CG-CG 4.5Å; L392-E396 WeakPolarHBondContact O-CG 3.29Å; L392-E396 PolarHBondContact O-N 3.29Å; E396-K399 IonicContact OE1-NZ 3.8Å; E396-Q400 PolarHBondContact O-N 2.83Å
397	A	94.8	Very high	90.9	Very high	51 Å²	51	58.2 Å²	58.2	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-65.1	-44.8	175	0	0	0	0	0	111.9	A393 E394 V395	A393-A397 WeakPolarHBondContact O-CB 3.46Å; A393-A397 PolarHBondContact O-N 2.91Å; E394-A397 PolarHBondContact O-N 2.89Å; V395-A397 VanDerWaalsContact C-N 3.29Å; V395-A397 PolarHBondContact O-N 3.31Å
398	W	94.6	Very high	90.5	Very high	63 Å²	63	62.6 Å²	62.6	24%	0.239	34%	0.342	C	S	.	.	H	α-helix	trans	-67.1	-43	177.5	-76.7	46.8	0	0	0	110.8	W163 Y167 A170 E171 H174 E394 V395 Q400 N401	W163-W398 HydrophobicContact CH2-CB 3.81Å; W163-W398 HydrophobicContact CZ3-CB 3.61Å; W163-W398 HydrophobicContact CZ3-CE3 4.3Å; W163-W398 HydrophobicContact CZ3-CG 4.46Å; Y167-W398 AromaticContact CD1-CE3 3.63Å; Y167-W398 HydrophobicContact CD1-CE3 3.63Å; Y167-W398 AromaticContact CD1-CZ3 3.59Å; Y167-W398 HydrophobicContact CD1-CZ3 3.59Å; Y167-W398 AromaticContact CD2-CE3 3.92Å; Y167-W398 HydrophobicContact CD2-CE3 3.92Å; Y167-W398 HydrophobicContact CD2-CZ3 4.31Å; Y167-W398 HydrophobicContact CE1-CD2 4.22Å; Y167-W398 AromaticContact CE1-CE3 3.5Å; Y167-W398 HydrophobicContact CE1-CE3 3.5Å; Y167-W398 VanDerWaalsContact CE1-CE3 3.5Å; Y167-W398 AromaticContact CE1-CZ3 3.92Å; Y167-W398 HydrophobicContact CE1-CZ3 3.92Å; Y167-W398 HydrophobicContact CE2-CB 4.38Å; Y167-W398 AromaticContact CE2-CE3 3.81Å; Y167-W398 HydrophobicContact CE2-CE3 3.81Å; Y167-W398 AromaticContact CG-CE3 3.83Å; Y167-W398 HydrophobicContact CG-CE3 3.83Å; Y167-W398 AromaticContact CG-CZ3 3.8Å; Y167-W398 HydrophobicContact CG-CZ3 3.8Å; Y167-W398 AromaticContact CZ-CE3 3.59Å; Y167-W398 VanDerWaalsContact OH-C 3.28Å; Y167-W398 PolarHBondContact OH-O 2.98Å; A170-W398 HydrophobicContact CB-CH2 4.24Å; A170-W398 HydrophobicContact CB-CZ3 4.35Å; E171-W398 HydrophobicContact CB-CE3 4.13Å; E171-W398 HydrophobicContact CB-CZ3 3.76Å; H174-W398 HydrophobicContact CB-CH2 4.06Å; H174-W398 HydrophobicContact CB-CZ2 4.21Å; H174-W398 AromaticContact CG-CZ2 3.99Å; E394-W398 VanDerWaalsContact O-CD1 3.26Å; E394-W398 PolarHBondContact O-N 2.87Å; E394-W398 VanDerWaalsContact O-N 3.12Å; V395-W398 PolarHBondContact O-N 2.82Å; W398-Q400 PolarHBondContact O-N 2.8Å; W398-N401 WeakPolarHBondContact O-CB 3.09Å; W398-N401 PolarHBondContact O-N 2.03Å
399	K	91.2	Very high	90.3	Very high	49 Å²	49	65.6 Å²	65.6	21%	0.213	36%	0.361	C	S	.	.	H	α-helix	trans	-53.9	-30.5	-179.4	-174.3	179.5	177.7	172.9	0	114.9	E113 W163 V395 E396 N401 L402 T403	E113-K399 WeakPolarHBondContact OE2-CD 3.31Å; E113-K399 WeakPolarHBondContact OE2-CE 3.15Å; E113-K399 IonicContact OE2-NZ 2.83Å; E113-K399 PolarHBondContact OE2-NZ 3.5Å; W163-K399 HydrophobicContact CH2-CB 4.26Å; W163-K399 HydrophobicContact CZ2-CB 4.1Å; V395-K399 WeakPolarHBondContact O-CB 3.46Å; V395-K399 PolarHBondContact O-N 3.36Å; E396-K399 IonicContact OE1-NZ 3.8Å; K399-N401 PolarHBondContact O-N 2.83Å; K399-L402 WeakPolarHBondContact O-CB 3.42Å; K399-L402 PolarHBondContact O-N 2.97Å; K399-L402 VanDerWaalsContact O-N 3.09Å; K399-T403 HydrophobicContact CG-CG2 4.39Å; K399-T403 PolarHBondContact O-N 3.19Å; K399-T403 PolarHBondContact O-OG1 3.43Å
400	Q	88.9	Confident	90.1	Very high	126 Å²	126	59.1 Å²	59.1	59%	0.589	33%	0.329	S	S	*	.	H	α-helix	trans	-57.2	-37.6	176.6	-69.8	173.1	24.8	0	0	112.4	E396 W398 T403 S404	E396-Q400 PolarHBondContact O-N 2.83Å; W398-Q400 PolarHBondContact O-N 2.8Å; Q400-T403 PolarHBondContact O-OG1 3.1Å; Q400-S404 PolarHBondContact O-N 3.26Å; Q400-S404 PolarHBondContact O-OG 3.38Å
401	N	82.8	Confident	90	Very high	91 Å²	91	57.3 Å²	57.3	49%	0.487	32%	0.315	S	S	.	.	H	α-helix	trans	-67.7	-42.4	176.4	-67.4	-17.3	0	0	0	110.9	L166 W398 K399 T403 S404 F405	L166-N401 HydrophobicContact CD2-CB 4.3Å; W398-N401 WeakPolarHBondContact O-CB 3.09Å; W398-N401 PolarHBondContact O-N 2.03Å; K399-N401 PolarHBondContact O-N 2.83Å; N401-T403 PolarHBondContact O-N 2.88Å; N401-S404 PolarHBondContact O-N 3.3Å; N401-F405 WeakPolarHBondContact O-CD2 3.23Å
402	L	83	Confident	89.9	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.016	33%	0.328	C	S	.	.	H	α-helix	trans	-56.6	-53	176.2	-69.9	167.9	0	0	0	111.6	V162 W163 L166 Y167 K399 S404 F405 T406	V162-L402 HydrophobicContact CB-CD2 4.41Å; V162-L402 HydrophobicContact CG1-CD1 4.26Å; V162-L402 HydrophobicContact CG1-CD2 3.94Å; V162-L402 HydrophobicContact CG2-CD2 3.94Å; W163-L402 HydrophobicContact CD2-CD1 3.52Å; W163-L402 HydrophobicContact CE3-CD1 3.98Å; W163-L402 HydrophobicContact CG-CD1 3.89Å; W163-L402 HydrophobicContact CH2-CD1 4.19Å; W163-L402 HydrophobicContact CZ2-CD1 3.74Å; W163-L402 HydrophobicContact CZ3-CD1 4.3Å; L166-L402 HydrophobicContact CB-CD2 3.63Å; L166-L402 HydrophobicContact CD2-CD2 3.42Å; L166-L402 VanDerWaalsContact CD2-CD2 3.42Å; L166-L402 HydrophobicContact CD2-CG 3.88Å; L166-L402 HydrophobicContact CG-CD2 4.15Å; Y167-L402 HydrophobicContact CE2-CD1 4.08Å; Y167-L402 HydrophobicContact CE2-CD2 4.14Å; Y167-L402 HydrophobicContact CE2-CG 3.93Å; K399-L402 WeakPolarHBondContact O-CB 3.42Å; K399-L402 PolarHBondContact O-N 2.97Å; K399-L402 VanDerWaalsContact O-N 3.09Å; L402-S404 PolarHBondContact O-N 3.11Å; L402-S404 VanDerWaalsContact O-N 3.16Å; L402-F405 PolarHBondContact O-N 3.09Å; L402-T406 PolarHBondContact O-N 3.14Å; L402-T406 PolarHBondContact O-OG1 2.97Å
403	T	77.8	Confident	89.9	Confident	66 Å²	66	59 Å²	59	41%	0.405	32%	0.321	S	S	.	.	H	α-helix	trans	-60.9	-29.9	-176.1	54.3	0	0	0	0	113.8	K399 Q400 N401 F405 G407	K399-T403 HydrophobicContact CG-CG2 4.39Å; K399-T403 PolarHBondContact O-N 3.19Å; K399-T403 PolarHBondContact O-OG1 3.43Å; Q400-T403 PolarHBondContact O-OG1 3.1Å; N401-T403 PolarHBondContact O-N 2.88Å; T403-F405 VanDerWaalsContact C-N 3.3Å; T403-F405 PolarHBondContact O-N 3.05Å; T403-G407 PolarHBondContact O-N 3.12Å
404	S	76.9	Confident	89.9	Confident	98 Å²	98	60.7 Å²	60.7	69%	0.685	32%	0.321	S	S	*	.	H	α-helix	trans	-68	-28.5	178.6	-60.1	0	0	0	0	112.9	Q400 N401 L402	Q400-S404 PolarHBondContact O-N 3.26Å; Q400-S404 PolarHBondContact O-OG 3.38Å; N401-S404 PolarHBondContact O-N 3.3Å; L402-S404 PolarHBondContact O-N 3.11Å; L402-S404 VanDerWaalsContact O-N 3.16Å
405	F	71	Confident	89.9	Confident	150 Å²	150	60.9 Å²	60.9	66%	0.658	33%	0.325	S	S	*	.	H	α-helix	trans	-98	-34.3	-178.8	-70.3	-75	0	0	0	113.4	N401 L402 T403	N401-F405 WeakPolarHBondContact O-CD2 3.23Å; L402-F405 PolarHBondContact O-N 3.09Å; T403-F405 VanDerWaalsContact C-N 3.3Å; T403-F405 PolarHBondContact O-N 3.05Å
406	T	83.7	Confident	89.8	Confident	11 Å²	11	63.6 Å²	63.6	7%	0.067	34%	0.336	C	S	.	.	H	α-helix	trans	-118.4	-1.9	-165.8	62.8	0	0	0	0	114.5	V162 L402 R408 L480 E481 L484	V162-T406 HydrophobicContact CG2-CG2 3.9Å; L402-T406 PolarHBondContact O-N 3.14Å; L402-T406 PolarHBondContact O-OG1 2.97Å; T406-R408 PolarHBondContact O-N 2.84Å; T406-R408 VanDerWaalsContact O-N 3.13Å; T406-L480 PolarHBondContact O-N 2.9Å; T406-E481 PolarHBondContact O-N 2.97Å; T406-E481 WeakPolarHBondContact OG1-CB 3.34Å; T406-L484 HydrophobicContact CG2-CD1 3.48Å; T406-L484 VanDerWaalsContact CG2-CD1 3.48Å
407	G	85.3	Confident	90	Very high	39 Å²	39	59.5 Å²	59.5	40%	0.402	32%	0.317	S	S	.	.			trans	-72.3	-0.2	-176.2	0	0	0	0	0	116.2	T403 V409	T403-G407 PolarHBondContact O-N 3.12Å; G407-V409 PolarHBondContact O-N 2.95Å
408	R	89.6	Confident	90	Very high	134 Å²	134	59.1 Å²	59.1	51%	0.506	31%	0.308	S	S	.	.			trans	-70.8	128.9	-179.3	-172.9	175.2	74	93.3	1.6	111	T406 T479 L480 E605	T406-R408 PolarHBondContact O-N 2.84Å; T406-R408 VanDerWaalsContact O-N 3.13Å; R408-T479 CarbonylContact O-C 3.49Å; R408-T479 WeakPolarHBondContact O-CA 3.05Å; R408-L480 PolarHBondContact O-N 3.25Å; R408-E605 IonicContact CZ-OE1 3.13Å; R408-E605 IonicContact NH1-OE1 2.68Å; R408-E605 PolarHBondContact NH1-OE1 3.3Å; R408-E605 IonicContact NH2-OE1 2.72Å; R408-E605 PolarHBondContact NH2-OE1 3.4Å
409	V	94.2	Very high	89.9	Confident	79 Å²	79	56.6 Å²	56.6	48%	0.479	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	128.7	172.7	177.5	0	0	0	0	109.9	G407 G411 V478 T479	G407-V409 PolarHBondContact O-N 2.95Å; V409-G411 WeakPolarHBondContact CG1-O 3.21Å; V409-V478 CarbonylContact C-O 3.58Å; V409-V478 WeakPolarHBondContact CA-O 3.4Å; V409-T479 HydrophobicContact CG2-CG2 4.14Å
410	V	95	Very high	89.8	Confident	3 Å²	3	56 Å²	56	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-2.4	-178.8	-57.1	0	0	0	0	112.8	V478 L480 L483 M604 E605	V410-V478 HydrophobicContact CG2-CG1 4.16Å; V410-V478 PolarHBondContact N-O 3.45Å; V410-L480 HydrophobicContact CG1-CB 4.22Å; V410-L483 HydrophobicContact CB-CD1 4.49Å; V410-L483 HydrophobicContact CG2-CD1 3.56Å; V410-L483 HydrophobicContact CG2-CG 3.94Å; V410-M604 CarbonylContact O-C 3.46Å; V410-M604 VanDerWaalsContact O-C 3.23Å; V410-M604 WeakPolarHBondContact O-CB 3.2Å; V410-E605 HydrophobicContact CB-CG 4.21Å; V410-E605 WeakPolarHBondContact O-CA 3.48Å; V410-E605 VanDerWaalsContact O-CG 3.26Å; V410-E605 WeakPolarHBondContact O-CG 3.41Å; V410-E605 PolarHBondContact O-N 2.98Å
411	G	95.7	Very high	89.6	Confident	9 Å²	9	51.8 Å²	51.8	9%	0.093	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.8	-169.3	174.6	0	0	0	0	0	112	V409 V478	V409-G411 WeakPolarHBondContact CG1-O 3.21Å; G411-V478 PolarHBondContact N-O 2.66Å; G411-V478 PolarHBondContact O-N 3.4Å
412	K	97.6	Very high	89.6	Confident	68 Å²	68	51.5 Å²	51.5	30%	0.296	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.1	172.7	-67.5	-168.3	171.7	-168.6	0	112	G476 G608 W609 V610	K412-G476 CarbonylContact C-O 3.5Å; K412-G476 WeakPolarHBondContact CA-O 3.15Å; K412-G608 PolarHBondContact N-O 2.76Å; K412-W609 HydrophobicContact CB-CD2 4.04Å; K412-W609 HydrophobicContact CB-CE3 3.64Å; K412-W609 HydrophobicContact CB-CZ3 4.01Å; K412-W609 HydrophobicContact CD-CD2 4.38Å; K412-W609 HydrophobicContact CD-CE3 4Å; K412-W609 HydrophobicContact CD-CH2 3.53Å; K412-W609 HydrophobicContact CD-CZ2 3.88Å; K412-W609 HydrophobicContact CD-CZ3 3.57Å; K412-W609 HydrophobicContact CG-CE3 4.44Å; K412-W609 HydrophobicContact CG-CZ3 4.44Å; K412-W609 CarbonylContact O-C 3.59Å; K412-W609 VanDerWaalsContact O-CA 3.28Å; K412-W609 WeakPolarHBondContact O-CA 3.49Å; K412-V610 PolarHBondContact O-N 3.13Å
413	T	98	Very high	90	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.8	166.7	-173.4	0	0	0	0	110.6	V415 L417 I469 E471 G476 V478 V610	T413-V415 PolarHBondContact OG1-N 2.91Å; T413-V415 PolarHBondContact OG1-O 3.3Å; T413-L417 HydrophobicContact CG2-CD1 4.19Å; T413-L417 HydrophobicContact CG2-CG 4.23Å; T413-I469 HydrophobicContact CG2-CG2 4.47Å; T413-E471 HydrophobicContact CG2-CB 3.94Å; T413-G476 PolarHBondContact N-O 3.24Å; T413-G476 VanDerWaalsContact O-CA 3.24Å; T413-G476 WeakPolarHBondContact O-CA 3.36Å; T413-V478 HydrophobicContact CG2-CG2 3.94Å; T413-V610 WeakPolarHBondContact CA-O 3.45Å
414	L	97.4	Very high	90.8	Very high	98 Å²	98	48.4 Å²	48.4	51%	0.513	27%	0.269	S	S	.	.	S	Bend	trans	-96.5	-5.3	173.8	-65.7	177.5	0	0	0	112.8	W609 V610 Y611	L414-W609 HydrophobicContact CD1-CE3 4.41Å; L414-W609 HydrophobicContact CD2-CE3 3.42Å; L414-W609 VanDerWaalsContact CD2-CE3 3.42Å; L414-W609 HydrophobicContact CD2-CZ3 3.55Å; L414-W609 HydrophobicContact CG-CE3 3.89Å; L414-W609 HydrophobicContact CG-CZ3 4.5Å; L414-V610 PolarHBondContact N-O 3.38Å; L414-Y611 HydrophobicContact CD1-CD1 4.33Å
415	V	97.4	Very high	91.7	Very high	48 Å²	48	45.4 Å²	45.4	29%	0.291	24%	0.243	S	C	.	.	S	Bend	trans	-136.5	156.3	-175.7	-58.7	0	0	0	0	110.1	T413 L417 P612	T413-V415 PolarHBondContact OG1-N 2.91Å; T413-V415 PolarHBondContact OG1-O 3.3Å; V415-L417 HydrophobicContact CG2-CD2 4.17Å; V415-L417 PolarHBondContact O-N 3.27Å; V415-P612 HydrophobicContact CG2-CG 4.36Å
416	F	96.6	Very high	92.8	Very high	62 Å²	62	40.4 Å²	40.4	27%	0.272	22%	0.221	S	C	.	.			trans	-61.2	121.4	170.4	-175.8	-103.9	0	0	0	109.5	I120 N418 N430 S468 D470 E471	I120-F416 HydrophobicContact CD1-CE2 4.41Å; F416-N418 HydrophobicContact CD1-CB 3.7Å; F416-N418 HydrophobicContact CE1-CB 3.65Å; F416-N418 PolarHBondContact O-N 3.48Å; F416-N430 PolarHBondContact O-ND2 3.45Å; F416-S468 VanDerWaalsContact CZ-CB 3.49Å; F416-D470 HydrophobicContact CD2-CB 3.98Å; F416-D470 HydrophobicContact CE2-CB 3.92Å; F416-E471 WeakPolarHBondContact CA-OE2 3.41Å; F416-E471 WeakPolarHBondContact CB-OE2 3.48Å; F416-E471 PolarHBondContact N-OE2 2.9Å
417	L	97.6	Very high	93.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-89.1	94.2	176.6	-60.8	-179.7	0	0	0	108.2	T413 V415 L431 L434 S468 I469 P612	T413-L417 HydrophobicContact CG2-CD1 4.19Å; T413-L417 HydrophobicContact CG2-CG 4.23Å; V415-L417 HydrophobicContact CG2-CD2 4.17Å; V415-L417 PolarHBondContact O-N 3.27Å; L417-L431 HydrophobicContact CB-CB 4.21Å; L417-L431 HydrophobicContact CB-CD1 4.2Å; L417-L431 HydrophobicContact CB-CD2 4.09Å; L417-L431 HydrophobicContact CB-CG 4.41Å; L417-L431 HydrophobicContact CD1-CD1 4.34Å; L417-L434 HydrophobicContact CD1-CD2 3.98Å; L417-L434 HydrophobicContact CD2-CD2 4.12Å; L417-S468 CarbonylContact O-C 3.49Å; L417-S468 WeakPolarHBondContact O-CA 3.34Å; L417-S468 WeakPolarHBondContact O-CB 3.39Å; L417-I469 HydrophobicContact CB-CB 4.08Å; L417-I469 HydrophobicContact CD1-CB 4.13Å; L417-I469 HydrophobicContact CD1-CD1 4.08Å; L417-I469 HydrophobicContact CG-CB 4.46Å; L417-I469 PolarHBondContact N-O 2.99Å; L417-I469 PolarHBondContact O-N 3.29Å; L417-P612 HydrophobicContact CD2-CG 3.39Å
418	N	95.5	Very high	93.9	Very high	43 Å²	43	43.1 Å²	43.1	23%	0.23	22%	0.222	C	C	.	.			trans	-82.3	121.1	-171.1	-169.9	1.9	0	0	0	111.7	F416 S420 N430 L431	F416-N418 HydrophobicContact CD1-CB 3.7Å; F416-N418 HydrophobicContact CE1-CB 3.65Å; F416-N418 PolarHBondContact O-N 3.48Å; N418-S420 WeakPolarHBondContact OD1-CB 3.28Å; N418-S420 PolarHBondContact OD1-N 3.06Å; N418-S420 PolarHBondContact OD1-OG 3.49Å; N418-N430 WeakPolarHBondContact CB-OD1 3.12Å; N418-N430 PolarHBondContact N-OD1 3.06Å; N418-L431 WeakPolarHBondContact O-CB 3.41Å
419	A	93.6	Very high	94.3	Very high	9 Å²	9	36.8 Å²	36.8	7%	0.074	20%	0.199	C	C	.	.			trans	-131.8	34.5	165.5	0	0	0	0	0	113.7	C424 L431 I465 S467 S468	A419-C424 WeakPolarHBondContact CA-SG 3.33Å; A419-L431 HydrophobicContact CB-CB 4.42Å; A419-L431 HydrophobicContact CB-CD2 3.81Å; A419-L431 HydrophobicContact CB-CG 4.45Å; A419-I465 HydrophobicContact CB-CB 4.26Å; A419-I465 HydrophobicContact CB-CG2 3.38Å; A419-S467 WeakPolarHBondContact CB-O 3.44Å; A419-S468 PolarHBondContact N-OG 3.43Å
420	S	88.8	Confident	94.5	Very high	36 Å²	36	33.8 Å²	33.8	25%	0.252	18%	0.18	S	C	.	.			trans	-56.4	148	171	75	0	0	0	0	110.5	N418 S422 A423 C424 S468	N418-S420 WeakPolarHBondContact OD1-CB 3.28Å; N418-S420 PolarHBondContact OD1-N 3.06Å; N418-S420 PolarHBondContact OD1-OG 3.49Å; S420-S422 PolarHBondContact O-N 3.1Å; S420-S422 PolarHBondContact OG-OG 2.89Å; S420-A423 WeakPolarHBondContact O-CA 3.26Å; S420-A423 PolarHBondContact O-N 3.42Å; S420-A423 WeakPolarHBondContact OG-CB 3.35Å; S420-A423 PolarHBondContact OG-N 3.2Å; S420-C424 PolarHBondContact O-N 2.88Å; S420-S468 PolarHBondContact N-OG 2.99Å
421	Q	83.8	Confident	94.6	Very high	39 Å²	39	33.7 Å²	33.7	18%	0.182	18%	0.179	C	C	.	.	H	α-helix	trans	-56.7	-35.8	175.6	-65.2	-174.1	20.8	0	0	111.1	N316 A423 R425 F426	N316-Q421 PolarHBondContact ND2-NE2 3.44Å; N316-Q421 PolarHBondContact ND2-OE1 2.9Å; Q421-A423 PolarHBondContact O-N 3.4Å; Q421-R425 WeakPolarHBondContact O-CB 3.34Å; Q421-R425 PolarHBondContact O-N 3.02Å; Q421-F426 WeakPolarHBondContact O-CD2 3.34Å; Q421-F426 WeakPolarHBondContact O-CE2 3.33Å
422	S	84.3	Confident	94.8	Very high	84 Å²	84	33.3 Å²	33.3	59%	0.587	18%	0.175	S	C	*	.	H	α-helix	trans	-69.3	-12.8	175.5	55.2	0	0	0	0	115.1	S420	S420-S422 PolarHBondContact O-N 3.1Å; S420-S422 PolarHBondContact OG-OG 2.89Å
423	A	90.2	Very high	94.8	Very high	3 Å²	3	30.1 Å²	30.1	3%	0.025	16%	0.161	C	C	.	.	H	α-helix	trans	-102.6	-77.4	175.6	0	0	0	0	0	110.3	S420 Q421 R425 F426 Q427 C429	S420-A423 WeakPolarHBondContact O-CA 3.26Å; S420-A423 PolarHBondContact O-N 3.42Å; S420-A423 WeakPolarHBondContact OG-CB 3.35Å; S420-A423 PolarHBondContact OG-N 3.2Å; Q421-A423 PolarHBondContact O-N 3.4Å; A423-R425 PolarHBondContact O-N 3.24Å; A423-F426 PolarHBondContact O-N 3.07Å; A423-Q427 PolarHBondContact O-N 3.34Å; A423-C429 HydrophobicContact CB-CB 4.12Å
424	C	95.4	Very high	94.9	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-16.5	-168.8	-68.2	0	0	0	0	114.8	A419 S420 C429 G462 I465 F521 Q523	A419-C424 WeakPolarHBondContact CA-SG 3.33Å; S420-C424 PolarHBondContact O-N 2.88Å; C424-C429 WeakPolarHBondContact CA-SG 3.23Å; C424-C429 HydrophobicContact CB-CB 3.97Å; C424-C429 WeakPolarHBondContact CB-SG 3.49Å; C424-C429 WeakPolarHBondContact SG-CB 3.44Å; C424-C429 CovalentContact SG-SG 2.03Å; C424-C429 PolarHBondContact SG-SG 3Å; C424-G462 WeakPolarHBondContact O-CA 3.47Å; C424-I465 HydrophobicContact CB-CD1 4.45Å; C424-F521 WeakPolarHBondContact O-CD1 3.42Å; C424-Q523 PolarHBondContact O-NE2 2.89Å
425	R	95.4	Very high	94.9	Very high	35 Å²	35	25.6 Å²	25.6	13%	0.132	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-0.7	177.2	-51.7	-172	-176.1	-174.2	0.3	114.2	Q421 A423 R466 K517 F521	Q421-R425 WeakPolarHBondContact O-CB 3.34Å; Q421-R425 PolarHBondContact O-N 3.02Å; A423-R425 PolarHBondContact O-N 3.24Å; R425-R466 VanDerWaalsContact NH2-NH1 3.2Å; R425-K517 WeakPolarHBondContact CD-O 3.32Å; R425-K517 PolarHBondContact NH1-O 3.43Å; R425-F521 WeakPolarHBondContact O-CB 3.46Å
426	F	93	Very high	95	Very high	45 Å²	45	23.3 Å²	23.3	20%	0.197	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-28.8	-176.3	-71.5	-99.2	0	0	0	113.9	Q421 A423 H514 K517 F521	Q421-F426 WeakPolarHBondContact O-CD2 3.34Å; Q421-F426 WeakPolarHBondContact O-CE2 3.33Å; A423-F426 PolarHBondContact O-N 3.07Å; F426-H514 PolarHBondContact O-NE2 3.09Å; F426-K517 HydrophobicContact CE2-CB 4.12Å; F426-K517 HydrophobicContact CE2-CG 3.76Å; F426-K517 HydrophobicContact CZ-CB 4.11Å; F426-K517 HydrophobicContact CZ-CG 3.51Å; F426-F521 WeakPolarHBondContact O-CE2 3.09Å
427	Q	94.8	Very high	95.1	Very high	97 Å²	97	22.2 Å²	22.2	45%	0.453	12%	0.12	S	C	.	.	S	Bend	trans	-153.5	179.1	-174	61.8	178.4	18.3	0	0	110.8	A423 C429 F521 Q523	A423-Q427 PolarHBondContact O-N 3.34Å; Q427-C429 PolarHBondContact O-N 3.1Å; Q427-F521 VanDerWaalsContact C-CE1 3.43Å; Q427-F521 VanDerWaalsContact O-CE1 3.23Å; Q427-F521 WeakPolarHBondContact O-CE1 3.45Å; Q427-Q523 PolarHBondContact O-NE2 2.94Å
428	E	97.7	Very high	95.1	Very high	11 Å²	11	22.2 Å²	22.2	5%	0.051	12%	0.12	C	C	.	.			trans	-57.2	134.2	170.8	-170.1	176.5	166	0	0	110.8	N433 E615 G616 R617 I618	E428-N433 PolarHBondContact OE1-ND2 3.47Å; E428-E615 PolarHBondContact OE1-N 3.25Å; E428-G616 PolarHBondContact OE1-N 2.93Å; E428-G616 WeakPolarHBondContact OE2-CA 3.29Å; E428-G616 PolarHBondContact OE2-N 3.09Å; E428-R617 PolarHBondContact OE1-N 3.23Å; E428-R617 PolarHBondContact OE2-N 3.46Å; E428-I618 HydrophobicContact CB-CB 4.18Å; E428-I618 HydrophobicContact CB-CD1 4.47Å; E428-I618 PolarHBondContact OE2-N 2.68Å
429	C	98.1	Very high	95.2	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.007	11%	0.109	C	C	.	.			trans	-127.3	142.8	172.1	70	0	0	0	0	110.7	A423 C424 Q427 L431 G432 N433 Q523	A423-C429 HydrophobicContact CB-CB 4.12Å; C424-C429 WeakPolarHBondContact CA-SG 3.23Å; C424-C429 HydrophobicContact CB-CB 3.97Å; C424-C429 WeakPolarHBondContact CB-SG 3.49Å; C424-C429 WeakPolarHBondContact SG-CB 3.44Å; C424-C429 CovalentContact SG-SG 2.03Å; C424-C429 PolarHBondContact SG-SG 3Å; Q427-C429 PolarHBondContact O-N 3.1Å; C429-L431 PolarHBondContact O-N 3.19Å; C429-G432 PolarHBondContact O-N 3.3Å; C429-G432 VanDerWaalsContact O-N 3.16Å; C429-G432 PolarHBondContact SG-N 2.9Å; C429-G432 VanDerWaalsContact SG-N 3.38Å; C429-N433 PolarHBondContact O-N 2.89Å; C429-Q523 PolarHBondContact SG-OE1 3.44Å
430	N	98.4	Very high	95.3	Very high	16 Å²	16	20.4 Å²	20.4	9%	0.086	11%	0.11	C	C	.	.	H	α-helix	trans	-70.3	-29.4	-173.6	69.2	-33.1	0	0	0	113.4	F416 N418 N433 L434 P612 M614	F416-N430 PolarHBondContact O-ND2 3.45Å; N418-N430 WeakPolarHBondContact CB-OD1 3.12Å; N418-N430 PolarHBondContact N-OD1 3.06Å; N430-N433 WeakPolarHBondContact O-CB 3.49Å; N430-N433 PolarHBondContact O-N 2.95Å; N430-L434 PolarHBondContact O-N 3.16Å; N430-P612 HydrophobicContact CB-CB 4.24Å; N430-P612 HydrophobicContact CB-CG 4.28Å; N430-P612 WeakPolarHBondContact CB-O 3.44Å; N430-P612 PolarHBondContact ND2-O 2.94Å; N430-P612 VanDerWaalsContact ND2-O 3.17Å; N430-P612 WeakPolarHBondContact O-CB 3.32Å; N430-M614 HydrophobicContact CB-CG 4.48Å
431	L	98.4	Very high	95.6	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-68.8	-36.3	172.1	-176.3	46.4	0	0	0	111.4	L417 N418 A419 C429 N433 L434 I435 I465 S467 V486	L417-L431 HydrophobicContact CB-CB 4.21Å; L417-L431 HydrophobicContact CB-CD1 4.2Å; L417-L431 HydrophobicContact CB-CD2 4.09Å; L417-L431 HydrophobicContact CB-CG 4.41Å; L417-L431 HydrophobicContact CD1-CD1 4.34Å; N418-L431 WeakPolarHBondContact O-CB 3.41Å; A419-L431 HydrophobicContact CB-CB 4.42Å; A419-L431 HydrophobicContact CB-CD2 3.81Å; A419-L431 HydrophobicContact CB-CG 4.45Å; C429-L431 PolarHBondContact O-N 3.19Å; L431-N433 VanDerWaalsContact C-N 3.35Å; L431-N433 PolarHBondContact O-N 3.13Å; L431-L434 HydrophobicContact CD1-CB 4.46Å; L431-L434 HydrophobicContact CD1-CD2 4.02Å; L431-L434 PolarHBondContact O-N 3.16Å; L431-I435 HydrophobicContact CD1-CD1 4.08Å; L431-I435 HydrophobicContact CD1-CG1 4.19Å; L431-I435 HydrophobicContact CG-CD1 4.05Å; L431-I435 WeakPolarHBondContact O-CD1 3.37Å; L431-I435 VanDerWaalsContact O-CG1 3.3Å; L431-I435 WeakPolarHBondContact O-CG1 3.48Å; L431-I435 PolarHBondContact O-N 2.89Å; L431-I465 HydrophobicContact CD2-CG2 4.07Å; L431-I465 HydrophobicContact CG-CG2 4.04Å; L431-S467 WeakPolarHBondContact CD2-O 3.17Å; L431-V486 HydrophobicContact CD1-CG1 4.44Å; L431-V486 HydrophobicContact CD2-CG1 3.86Å; L431-V486 HydrophobicContact CD2-CG2 4.07Å; L431-V486 HydrophobicContact CG-CG1 4.29Å
432	G	98.4	Very high	96	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.4	-43.4	170.9	0	0	0	0	0	112.5	C429 I435 C436	C429-G432 PolarHBondContact O-N 3.3Å; C429-G432 VanDerWaalsContact O-N 3.16Å; C429-G432 PolarHBondContact SG-N 2.9Å; C429-G432 VanDerWaalsContact SG-N 3.38Å; G432-I435 PolarHBondContact O-N 3.44Å; G432-C436 WeakPolarHBondContact O-CB 3.32Å; G432-C436 PolarHBondContact O-N 3.33Å
433	N	98.7	Very high	96.1	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-59.8	-47.4	173.7	-70.4	-5.8	0	0	0	111.7	E428 C429 N430 L431 I435 C436 D437 A613 R617	E428-N433 PolarHBondContact OE1-ND2 3.47Å; C429-N433 PolarHBondContact O-N 2.89Å; N430-N433 WeakPolarHBondContact O-CB 3.49Å; N430-N433 PolarHBondContact O-N 2.95Å; L431-N433 VanDerWaalsContact C-N 3.35Å; L431-N433 PolarHBondContact O-N 3.13Å; N433-I435 PolarHBondContact O-N 3.07Å; N433-C436 PolarHBondContact O-N 3.33Å; N433-D437 WeakPolarHBondContact O-CB 3.01Å; N433-D437 PolarHBondContact O-N 3.1Å; N433-A613 PolarHBondContact ND2-O 2.87Å; N433-R617 PolarHBondContact O-NH1 3.39Å; N433-R617 WeakPolarHBondContact OD1-CD 3.38Å
434	L	98.8	Very high	95.8	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-58.4	-47	178.6	179.6	65.8	0	0	0	112.4	L417 N430 L431 D437 A438 L600 Y603 V610 P612	L417-L434 HydrophobicContact CD1-CD2 3.98Å; L417-L434 HydrophobicContact CD2-CD2 4.12Å; N430-L434 PolarHBondContact O-N 3.16Å; L431-L434 HydrophobicContact CD1-CB 4.46Å; L431-L434 HydrophobicContact CD1-CD2 4.02Å; L431-L434 PolarHBondContact O-N 3.16Å; L434-D437 PolarHBondContact O-N 3.21Å; L434-A438 WeakPolarHBondContact O-CB 3.37Å; L434-A438 PolarHBondContact O-N 3.35Å; L434-L600 HydrophobicContact CD2-CD1 4.36Å; L434-L600 HydrophobicContact CG-CD1 4.16Å; L434-Y603 HydrophobicContact CD1-CD1 4.07Å; L434-Y603 HydrophobicContact CD1-CE1 3.64Å; L434-V610 HydrophobicContact CD1-CB 4.16Å; L434-V610 HydrophobicContact CD1-CG1 4.07Å; L434-V610 HydrophobicContact CD2-CG2 4.23Å; L434-P612 HydrophobicContact CB-CB 4.06Å; L434-P612 HydrophobicContact CB-CG 3.98Å; L434-P612 HydrophobicContact CD1-CG 4.5Å; L434-P612 HydrophobicContact CD2-CG 4.39Å
435	I	98.7	Very high	94.8	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.5	-48.8	179.4	-69	162.5	0	0	0	110.1	L431 G432 N433 D437 A438 M439 M460 I465 V486 L487 F493 L600	L431-I435 HydrophobicContact CD1-CD1 4.08Å; L431-I435 HydrophobicContact CD1-CG1 4.19Å; L431-I435 HydrophobicContact CG-CD1 4.05Å; L431-I435 WeakPolarHBondContact O-CD1 3.37Å; L431-I435 VanDerWaalsContact O-CG1 3.3Å; L431-I435 WeakPolarHBondContact O-CG1 3.48Å; L431-I435 PolarHBondContact O-N 2.89Å; G432-I435 PolarHBondContact O-N 3.44Å; N433-I435 PolarHBondContact O-N 3.07Å; I435-D437 VanDerWaalsContact C-N 3.3Å; I435-D437 PolarHBondContact O-N 3.15Å; I435-A438 WeakPolarHBondContact O-CB 3.22Å; I435-A438 PolarHBondContact O-N 3.05Å; I435-M439 HydrophobicContact CG2-SD 3.92Å; I435-M439 VanDerWaalsContact O-CG 3.31Å; I435-M439 WeakPolarHBondContact O-CG 3.5Å; I435-M439 PolarHBondContact O-N 2.69Å; I435-M460 HydrophobicContact CG2-CG 4.38Å; I435-I465 HydrophobicContact CD1-CD1 4Å; I435-I465 HydrophobicContact CD1-CG1 3.92Å; I435-I465 HydrophobicContact CD1-CG2 3.88Å; I435-V486 HydrophobicContact CD1-CG1 3.99Å; I435-L487 HydrophobicContact CD1-CD2 4.27Å; I435-F493 HydrophobicContact CG2-CE2 4.31Å; I435-F493 HydrophobicContact CG2-CZ 3.78Å; I435-L600 HydrophobicContact CG1-CD1 4.35Å; I435-L600 HydrophobicContact CG1-CD2 4.09Å
436	C	98.7	Very high	93.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-67.1	-31.1	179.8	-97.2	0	0	0	0	113.1	G432 N433 M439 V440 C458	G432-C436 WeakPolarHBondContact O-CB 3.32Å; G432-C436 PolarHBondContact O-N 3.33Å; N433-C436 PolarHBondContact O-N 3.33Å; C436-M439 WeakPolarHBondContact O-CB 3.17Å; C436-M439 PolarHBondContact O-N 3.02Å; C436-V440 WeakPolarHBondContact O-CG2 3.49Å; C436-V440 PolarHBondContact O-N 2.74Å; C436-C458 WeakPolarHBondContact CA-SG 3.27Å; C436-C458 HydrophobicContact CB-CB 3.56Å; C436-C458 WeakPolarHBondContact CB-SG 3.39Å; C436-C458 WeakPolarHBondContact SG-CB 3.39Å; C436-C458 CovalentContact SG-SG 2.06Å; C436-C458 PolarHBondContact SG-SG 3.16Å
437	D	98.6	Very high	91.8	Very high	38 Å²	38	32.1 Å²	32.1	20%	0.203	16%	0.164	C	C	.	.	H	α-helix	trans	-68.1	-40.5	172.5	-70.3	-11.5	0	0	0	111.5	N433 L434 I435 M439 V440 D441 S525 R617	N433-D437 WeakPolarHBondContact O-CB 3.01Å; N433-D437 PolarHBondContact O-N 3.1Å; L434-D437 PolarHBondContact O-N 3.21Å; I435-D437 VanDerWaalsContact C-N 3.3Å; I435-D437 PolarHBondContact O-N 3.15Å; D437-M439 VanDerWaalsContact C-N 3.31Å; D437-M439 PolarHBondContact O-N 3.2Å; D437-V440 PolarHBondContact O-N 2.95Å; D437-D441 WeakPolarHBondContact O-CB 3.34Å; D437-D441 PolarHBondContact O-N 3.19Å; D437-S525 WeakPolarHBondContact OD1-CB 3.41Å; D437-S525 PolarHBondContact OD1-OG 3.47Å; D437-R617 VanDerWaalsContact CG-NH2 3.28Å; D437-R617 IonicContact OD1-CZ 3.08Å; D437-R617 VanDerWaalsContact OD1-CZ 3.26Å; D437-R617 IonicContact OD1-NH1 3.24Å; D437-R617 PolarHBondContact OD1-NH1 3.4Å; D437-R617 IonicContact OD1-NH2 3.61Å; D437-R617 PolarHBondContact OD1-NH2 2.86Å; D437-R617 IonicContact OD2-CZ 3.44Å; D437-R617 IonicContact OD2-NH1 3.24Å; D437-R617 IonicContact OD2-NH2 3.9Å; D437-R617 PolarHBondContact OD2-NH2 2.82Å
438	A	98.3	Very high	90.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-41.2	172.7	0	0	0	0	0	111.7	L434 I435 N442 V599 L600 Y603	L434-A438 WeakPolarHBondContact O-CB 3.37Å; L434-A438 PolarHBondContact O-N 3.35Å; I435-A438 WeakPolarHBondContact O-CB 3.22Å; I435-A438 PolarHBondContact O-N 3.05Å; A438-N442 WeakPolarHBondContact O-CB 3.3Å; A438-N442 PolarHBondContact O-N 2.86Å; A438-V599 HydrophobicContact CB-CG1 4.24Å; A438-V599 WeakPolarHBondContact O-CG1 3.21Å; A438-L600 HydrophobicContact CB-CD1 4.1Å; A438-Y603 VanDerWaalsContact CB-CB 3.49Å; A438-Y603 HydrophobicContact CB-CD1 3.83Å; A438-Y603 HydrophobicContact CB-CD2 4.16Å; A438-Y603 HydrophobicContact CB-CG 3.56Å
439	M	97.8	Very high	88.4	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.5	-49.9	174.9	-72.7	168.2	70	0	0	111.8	I435 C436 D437 Y443 C458 F493 V568	I435-M439 HydrophobicContact CG2-SD 3.92Å; I435-M439 VanDerWaalsContact O-CG 3.31Å; I435-M439 WeakPolarHBondContact O-CG 3.5Å; I435-M439 PolarHBondContact O-N 2.69Å; C436-M439 WeakPolarHBondContact O-CB 3.17Å; C436-M439 PolarHBondContact O-N 3.02Å; D437-M439 VanDerWaalsContact C-N 3.31Å; D437-M439 PolarHBondContact O-N 3.2Å; M439-Y443 WeakPolarHBondContact O-CD2 3.44Å; M439-C458 HydrophobicContact CB-CB 4.25Å; M439-C458 HydrophobicContact CE-CB 4.46Å; M439-C458 WeakPolarHBondContact CE-SG 3.37Å; M439-C458 PolarHBondContact SD-SG 2.91Å; M439-F493 HydrophobicContact CE-CB 4.02Å; M439-F493 HydrophobicContact CE-CD1 3.67Å; M439-F493 HydrophobicContact CE-CE1 4.23Å; M439-F493 HydrophobicContact CE-CG 3.84Å; M439-F493 HydrophobicContact CG-CB 4.05Å; M439-F493 HydrophobicContact CG-CD1 4.1Å; M439-F493 HydrophobicContact CG-CD2 3.29Å; M439-F493 HydrophobicContact CG-CE1 4.35Å; M439-F493 HydrophobicContact CG-CE2 3.57Å; M439-F493 HydrophobicContact CG-CG 3.56Å; M439-F493 HydrophobicContact CG-CZ 4.1Å; M439-F493 HydrophobicContact SD-CD1 3.74Å; M439-F493 HydrophobicContact SD-CD2 4Å; M439-F493 HydrophobicContact SD-CE1 3.76Å; M439-F493 HydrophobicContact SD-CE2 4Å; M439-F493 HydrophobicContact SD-CG 3.86Å; M439-F493 HydrophobicContact SD-CZ 3.89Å; M439-V568 HydrophobicContact CB-CB 4.24Å; M439-V568 HydrophobicContact CB-CG1 3.99Å; M439-V568 HydrophobicContact CE-CB 4.02Å; M439-V568 HydrophobicContact CE-CG1 3.66Å; M439-V568 HydrophobicContact CG-CG1 4.43Å
440	V	96.2	Very high	87.3	Confident	15 Å²	15	43.2 Å²	43.2	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-43.9	179.1	175.2	0	0	0	0	111.3	C436 D437 N442 Y443 T444 C458	C436-V440 WeakPolarHBondContact O-CG2 3.49Å; C436-V440 PolarHBondContact O-N 2.74Å; D437-V440 PolarHBondContact O-N 2.95Å; V440-N442 VanDerWaalsContact C-N 3.34Å; V440-N442 PolarHBondContact O-N 2.81Å; V440-Y443 PolarHBondContact O-N 3.07Å; V440-T444 WeakPolarHBondContact O-CB 3.49Å; V440-T444 PolarHBondContact O-N 2.92Å; V440-T444 PolarHBondContact O-OG1 3.48Å; V440-C458 HydrophobicContact CG2-CB 3.86Å
441	D	95.1	Very high	86.5	Confident	46 Å²	46	44 Å²	44	25%	0.246	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-40.8	179	-176.6	82.1	0	0	0	112.1	D437 Y443 T444 Y603 K606	D437-D441 WeakPolarHBondContact O-CB 3.34Å; D437-D441 PolarHBondContact O-N 3.19Å; D441-Y443 VanDerWaalsContact C-N 3.28Å; D441-Y443 PolarHBondContact O-N 3.36Å; D441-T444 PolarHBondContact O-N 3.07Å; D441-Y603 HydrophobicContact CB-CD2 3.69Å; D441-Y603 HydrophobicContact CB-CE2 3.69Å; D441-K606 IonicContact OD1-NZ 3.99Å; D441-K606 PolarHBondContact OD1-NZ 3.09Å; D441-K606 IonicContact OD2-NZ 2.68Å; D441-K606 PolarHBondContact OD2-NZ 3.22Å
442	N	91.1	Very high	85.9	Confident	24 Å²	24	47.3 Å²	47.3	13%	0.128	26%	0.259	C	S	.	.	H	α-helix	trans	-59	-38.7	179.7	171.8	77	0	0	0	112.8	A438 V440 R445 H594 V599	A438-N442 WeakPolarHBondContact O-CB 3.3Å; A438-N442 PolarHBondContact O-N 2.86Å; V440-N442 VanDerWaalsContact C-N 3.34Å; V440-N442 PolarHBondContact O-N 2.81Å; N442-R445 VanDerWaalsContact O-CZ 3.25Å; N442-R445 PolarHBondContact O-NH1 2.68Å; N442-R445 PolarHBondContact O-NH2 2.7Å; N442-H594 PolarHBondContact ND2-ND1 2.87Å; N442-H594 PolarHBondContact OD1-ND1 3.46Å; N442-H594 VanDerWaalsContact OD1-ND1 3.13Å; N442-V599 HydrophobicContact CB-CG1 3.76Å; N442-V599 HydrophobicContact CB-CG2 4.35Å
443	Y	86.8	Confident	85.3	Confident	23 Å²	23	47.3 Å²	47.3	9%	0.09	26%	0.259	C	S	.	.	H	α-helix	trans	-96.7	-10.1	-179.4	-67.7	-68.3	0	0	0	114.3	M439 V440 D441 R445 H454 F493 L495 V568 G593 H594	M439-Y443 WeakPolarHBondContact O-CD2 3.44Å; V440-Y443 PolarHBondContact O-N 3.07Å; D441-Y443 VanDerWaalsContact C-N 3.28Å; D441-Y443 PolarHBondContact O-N 3.36Å; Y443-R445 PolarHBondContact O-N 3.27Å; Y443-R445 VanDerWaalsContact O-N 3.15Å; Y443-H454 PolarHBondContact O-CE1 3.39Å; Y443-F493 VanDerWaalsContact CE2-O 3.29Å; Y443-F493 WeakPolarHBondContact CE2-O 3.34Å; Y443-F493 VanDerWaalsContact CZ-O 3.3Å; Y443-F493 PolarHBondContact OH-O 3.03Å; Y443-L495 HydrophobicContact CD1-CD1 3.52Å; Y443-L495 HydrophobicContact CD1-CD2 4.48Å; Y443-L495 HydrophobicContact CD1-CG 4.02Å; Y443-L495 HydrophobicContact CD2-CD2 4.23Å; Y443-L495 HydrophobicContact CD2-CG 4.26Å; Y443-L495 HydrophobicContact CE1-CD1 3.83Å; Y443-L495 HydrophobicContact CE1-CG 4.15Å; Y443-L495 HydrophobicContact CE2-CG 4.36Å; Y443-L495 HydrophobicContact CG-CD1 3.97Å; Y443-L495 HydrophobicContact CG-CD2 4.1Å; Y443-L495 HydrophobicContact CG-CG 4.09Å; Y443-V568 HydrophobicContact CD2-CB 4.47Å; Y443-V568 HydrophobicContact CD2-CG1 3.78Å; Y443-V568 HydrophobicContact CD2-CG2 3.75Å; Y443-V568 HydrophobicContact CE2-CG1 3.61Å; Y443-V568 HydrophobicContact CE2-CG2 4.42Å; Y443-G593 WeakPolarHBondContact OH-CA 3.36Å; Y443-H594 PolarHBondContact OH-N 3.3Å; Y443-H594 VanDerWaalsContact OH-N 3.09Å
444	T	83.8	Confident	84.6	Confident	47 Å²	47	49.5 Å²	49.5	29%	0.288	27%	0.269	S	S	.	.			trans	-65.3	120.1	175.3	-62.2	0	0	0	0	109.3	V440 D441 W452	V440-T444 WeakPolarHBondContact O-CB 3.49Å; V440-T444 PolarHBondContact O-N 2.92Å; V440-T444 PolarHBondContact O-OG1 3.48Å; D441-T444 PolarHBondContact O-N 3.07Å; T444-W452 HydrophobicContact CG2-CZ3 4.28Å
445	R	74.9	Confident	84.1	Confident	141 Å²	141	49.2 Å²	49.2	53%	0.532	27%	0.268	S	S	.	.			trans	-138.5	147.4	177.4	-62.3	-67.9	-179.7	-97.7	-3	107.2	N442 Y443 F447	N442-R445 VanDerWaalsContact O-CZ 3.25Å; N442-R445 PolarHBondContact O-NH1 2.68Å; N442-R445 PolarHBondContact O-NH2 2.7Å; Y443-R445 PolarHBondContact O-N 3.27Å; Y443-R445 VanDerWaalsContact O-N 3.15Å; R445-F447 PolarHBondContact O-N 2.83Å
446	S	63.8	Low	83.8	Confident	123 Å²	123	49.4 Å²	49.4	86%	0.86	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-55.9	118.6	169.6	-170.6	0	0	0	0	107.8
447	F	61.3	Low	83.8	Confident	85 Å²	85	49.4 Å²	49.4	37%	0.373	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-100	171	173	-151.6	-105	0	0	0	108.3	R445 Q451 H454	R445-F447 PolarHBondContact O-N 2.83Å; F447-Q451 HydrophobicContact CB-CB 4.24Å; F447-Q451 HydrophobicContact CD1-CB 3.91Å; F447-Q451 HydrophobicContact CD1-CG 4.41Å; F447-H454 HydrophobicContact CD2-CB 3.7Å; F447-H454 HydrophobicContact CE2-CB 3.82Å; F447-H454 HydrophobicContact CG-CB 4.12Å; F447-H454 HydrophobicContact CZ-CB 4.34Å
448	D	60.2	Low	83.8	Confident	89 Å²	89	47.6 Å²	47.6	48%	0.476	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-46.7	166.4	-179.4	55.5	35.4	0	0	0	114.6	E450 Q451	D448-E450 PolarHBondContact O-N 2.86Å; D448-Q451 PolarHBondContact O-N 3.06Å
449	G	60.9	Low	83.8	Confident	93 Å²	93	47.6 Å²	47.6	96%	0.959	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-3.4	-171.1	0	0	0	0	0	117.1
450	E	74.3	Confident	83.8	Confident	159 Å²	159	47.8 Å²	47.8	74%	0.743	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-18.5	178.5	-62	-168.1	166.1	0	0	114.1	D448	D448-E450 PolarHBondContact O-N 2.86Å
451	Q	81.2	Confident	83.9	Confident	33 Å²	33	47.2 Å²	47.2	15%	0.154	26%	0.257	C	S	.	.			trans	-128.7	136.1	-180	-67.6	171.2	78.2	0	0	111.4	F447 D448 S453 T549 R550	F447-Q451 HydrophobicContact CB-CB 4.24Å; F447-Q451 HydrophobicContact CD1-CB 3.91Å; F447-Q451 HydrophobicContact CD1-CG 4.41Å; D448-Q451 PolarHBondContact O-N 3.06Å; Q451-S453 VanDerWaalsContact C-N 3.32Å; Q451-T549 VanDerWaalsContact CA-O 3.31Å; Q451-T549 WeakPolarHBondContact CA-O 3.45Å; Q451-R550 HydrophobicContact CG-CB 4.32Å; Q451-R550 HydrophobicContact CG-CG 3.46Å; Q451-R550 VanDerWaalsContact CG-CG 3.46Å
452	W	86.1	Confident	84	Confident	70 Å²	70	45 Å²	45	27%	0.265	25%	0.246	S	C	.	.	S	Bend	trans	-75.2	-24.8	174.9	66.4	-90	0	0	0	112.7	T444 L547 C548 T549 C551 P554	T444-W452 HydrophobicContact CG2-CZ3 4.28Å; W452-L547 HydrophobicContact CH2-CD2 3.95Å; W452-L547 HydrophobicContact CZ2-CD2 3.65Å; W452-L547 HydrophobicContact CZ2-CG 4.31Å; W452-C548 PolarHBondContact NE1-O 2.82Å; W452-T549 PolarHBondContact N-O 2.9Å; W452-C551 VanDerWaalsContact CD1-O 3.22Å; W452-P554 HydrophobicContact CD2-CG 3.98Å; W452-P554 HydrophobicContact CG-CG 4.21Å; W452-P554 HydrophobicContact CZ2-CB 4.17Å; W452-P554 HydrophobicContact CZ2-CG 4.12Å
453	S	87.1	Confident	84.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.243	C	C	.	.			trans	-160	154.2	173.9	-179.4	0	0	0	0	109.8	Q451 V455 T549	Q451-S453 VanDerWaalsContact C-N 3.32Å; S453-V455 VanDerWaalsContact C-N 3.28Å; S453-V455 WeakPolarHBondContact CB-O 3.33Å; S453-V455 PolarHBondContact OG-N 3.5Å; S453-V455 PolarHBondContact OG-O 3.41Å; S453-T549 WeakPolarHBondContact O-CB 3.15Å; S453-T549 VanDerWaalsContact O-CG2 3.28Å; S453-T549 WeakPolarHBondContact O-CG2 3.33Å
454	H	83.1	Confident	84.4	Confident	47 Å²	47	43.5 Å²	43.5	22%	0.218	24%	0.242	C	C	.	.	S	Bend	trans	-81.5	-9.5	173.5	66	-80.6	0	0	0	113.4	Y443 F447 T566	Y443-H454 PolarHBondContact O-CE1 3.39Å; F447-H454 HydrophobicContact CD2-CB 3.7Å; F447-H454 HydrophobicContact CE2-CB 3.82Å; F447-H454 HydrophobicContact CG-CB 4.12Å; F447-H454 HydrophobicContact CZ-CB 4.34Å; H454-T566 WeakPolarHBondContact O-CB 3.37Å; H454-T566 PolarHBondContact O-OG1 2.04Å
455	V	88.1	Confident	85	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.229	C	C	.	.			trans	-140.7	138.5	178.5	64.1	0	0	0	0	109.7	S453 L495 T566 V568	S453-V455 VanDerWaalsContact C-N 3.28Å; S453-V455 WeakPolarHBondContact CB-O 3.33Å; S453-V455 PolarHBondContact OG-N 3.5Å; S453-V455 PolarHBondContact OG-O 3.41Å; V455-L495 HydrophobicContact CB-CD2 4.15Å; V455-L495 HydrophobicContact CG1-CD2 4.49Å; V455-L495 HydrophobicContact CG2-CD2 3.87Å; V455-T566 HydrophobicContact CB-CG2 4.32Å; V455-T566 HydrophobicContact CG2-CG2 4.39Å; V455-V568 HydrophobicContact CG2-CG2 3.58Å
456	S	93.3	Very high	85.7	Confident	5 Å²	5	36.5 Å²	36.5	4%	0.035	21%	0.211	C	C	.	.			trans	-134	-6.6	-178.9	61.7	0	0	0	0	113.6	G526 L547	S456-G526 VanDerWaalsContact O-CA 3.31Å; S456-G526 WeakPolarHBondContact O-CA 3.37Å; S456-L547 WeakPolarHBondContact CB-O 3.24Å; S456-L547 PolarHBondContact OG-O 3.03Å
457	A	97.8	Very high	87.1	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.1	-168.9	0	0	0	0	0	113.6	S525 L527 I546 V568	A457-S525 CarbonylContact C-O 3.56Å; A457-S525 VanDerWaalsContact CA-O 3.22Å; A457-S525 WeakPolarHBondContact CA-O 3.18Å; A457-L527 HydrophobicContact CB-CD1 4.19Å; A457-L527 HydrophobicContact CB-CD2 4.41Å; A457-L527 HydrophobicContact CB-CG 3.95Å; A457-I546 HydrophobicContact CB-CD1 3.66Å; A457-I546 HydrophobicContact CB-CG1 3.91Å; A457-V568 PolarHBondContact O-N 3.14Å
458	C	98.3	Very high	88.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.2	174.5	164	0	0	0	0	111	C436 M439 V440 V524 S525 V568	C436-C458 WeakPolarHBondContact CA-SG 3.27Å; C436-C458 HydrophobicContact CB-CB 3.56Å; C436-C458 WeakPolarHBondContact CB-SG 3.39Å; C436-C458 WeakPolarHBondContact SG-CB 3.39Å; C436-C458 CovalentContact SG-SG 2.06Å; C436-C458 PolarHBondContact SG-SG 3.16Å; M439-C458 HydrophobicContact CB-CB 4.25Å; M439-C458 HydrophobicContact CE-CB 4.46Å; M439-C458 WeakPolarHBondContact CE-SG 3.37Å; M439-C458 PolarHBondContact SD-SG 2.91Å; V440-C458 HydrophobicContact CG2-CB 3.86Å; C458-V524 VanDerWaalsContact O-CA 3.32Å; C458-V524 WeakPolarHBondContact O-CA 3.19Å; C458-S525 PolarHBondContact N-O 2.88Å; C458-S525 PolarHBondContact O-N 3.46Å; C458-V568 VanDerWaalsContact CA-O 3.25Å; C458-V568 WeakPolarHBondContact CA-O 3.31Å; C458-V568 HydrophobicContact CB-CB 4.48Å
459	I	98.6	Very high	90.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.5	161.1	61.8	177.4	0	0	0	110.1	L503 F507 L522 Q523 V524 L527 V567 V568 L569 P570 I583	I459-L503 HydrophobicContact CG2-CD1 4.43Å; I459-F507 HydrophobicContact CG2-CE2 4.16Å; I459-F507 HydrophobicContact CG2-CZ 3.79Å; I459-L522 HydrophobicContact CB-CD1 4.36Å; I459-L522 HydrophobicContact CB-CD2 4.44Å; I459-L522 HydrophobicContact CD1-CD1 4.28Å; I459-L522 HydrophobicContact CG2-CD1 4.47Å; I459-Q523 CarbonylContact C-O 3.59Å; I459-Q523 WeakPolarHBondContact CA-O 3.5Å; I459-V524 HydrophobicContact CG2-CG1 4.31Å; I459-L527 HydrophobicContact CG2-CD1 3.64Å; I459-V567 HydrophobicContact CG1-CG1 4.14Å; I459-V567 HydrophobicContact CG2-CG1 4.29Å; I459-V568 PolarHBondContact N-O 3.48Å; I459-L569 HydrophobicContact CD1-CB 4.3Å; I459-L569 HydrophobicContact CD1-CD1 4.28Å; I459-L569 HydrophobicContact CG1-CB 3.64Å; I459-L569 WeakPolarHBondContact O-CA 3.45Å; I459-P570 VanDerWaalsContact O-CD 3.31Å; I459-P570 WeakPolarHBondContact O-CD 3.5Å; I459-I583 HydrophobicContact CD1-CD1 3.89Å
460	M	98.1	Very high	91.9	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.02	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	122.1	180	174.3	66.6	-171.8	0	0	109	I435 I465 L487 F493 L522 Q523 P570	I435-M460 HydrophobicContact CG2-CG 4.38Å; M460-I465 HydrophobicContact CE-CG1 3.71Å; M460-I465 HydrophobicContact CG-CD1 4.08Å; M460-I465 HydrophobicContact CG-CG1 4.09Å; M460-L487 HydrophobicContact CE-CD2 3.86Å; M460-F493 HydrophobicContact SD-CE1 4.37Å; M460-L522 CarbonylContact O-C 3.54Å; M460-L522 WeakPolarHBondContact O-CA 3.35Å; M460-Q523 HydrophobicContact CB-CB 4.31Å; M460-Q523 PolarHBondContact N-O 3.19Å; M460-Q523 PolarHBondContact O-N 2.92Å; M460-P570 HydrophobicContact CE-CG 4.34Å; M460-P570 HydrophobicContact SD-CG 3.23Å; M460-P570 WeakPolarHBondContact SD-CG 3.31Å
461	N	97.8	Very high	92.8	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.016	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135	176.3	63.5	-56	0	0	0	110.6	G463 G464 F521 L522 L573 D578	N461-G463 PolarHBondContact O-N 2.74Å; N461-G464 PolarHBondContact ND2-N 3.01Å; N461-G464 PolarHBondContact O-N 3.23Å; N461-F521 CarbonylContact C-O 3.55Å; N461-L522 HydrophobicContact CB-CD2 4.22Å; N461-L573 HydrophobicContact CB-CD1 4.22Å; N461-L573 HydrophobicContact CB-CD2 4.02Å; N461-D578 PolarHBondContact ND2-OD2 3Å
462	G	96.6	Very high	93.2	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-62.3	-26.8	-177.9	0	0	0	0	0	113	C424 G464 I465 G519 F521	C424-G462 WeakPolarHBondContact O-CA 3.47Å; G462-G464 PolarHBondContact O-N 3.27Å; G462-I465 PolarHBondContact O-N 3.08Å; G462-G519 PolarHBondContact N-O 2.61Å; G462-F521 PolarHBondContact N-O 3.46Å
463	G	93.3	Very high	93.1	Very high	7 Å²	7	19.6 Å²	19.6	7%	0.072	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-61.2	-27.1	171.4	0	0	0	0	0	113.7	N461 I465 R466 G519	N461-G463 PolarHBondContact O-N 2.74Å; G463-I465 VanDerWaalsContact C-N 3.35Å; G463-R466 WeakPolarHBondContact O-CD 3.38Å; G463-R466 PolarHBondContact O-NH1 2.99Å; G463-G519 PolarHBondContact N-O 2.85Å
464	G	94.2	Very high	93	Very high	7 Å²	7	23.9 Å²	23.9	7%	0.072	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-78.4	-13	177.6	0	0	0	0	0	114.6	N461 G462	N461-G464 PolarHBondContact ND2-N 3.01Å; N461-G464 PolarHBondContact O-N 3.23Å; G462-G464 PolarHBondContact O-N 3.27Å
465	I	95.9	Very high	93.3	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	13%	0.133	C	C	.	.			trans	-100.6	106.8	179.8	-46.1	174	0	0	0	108.4	A419 C424 L431 I435 M460 G462 G463 V486 Q523	A419-I465 HydrophobicContact CB-CB 4.26Å; A419-I465 HydrophobicContact CB-CG2 3.38Å; C424-I465 HydrophobicContact CB-CD1 4.45Å; L431-I465 HydrophobicContact CD2-CG2 4.07Å; L431-I465 HydrophobicContact CG-CG2 4.04Å; I435-I465 HydrophobicContact CD1-CD1 4Å; I435-I465 HydrophobicContact CD1-CG1 3.92Å; I435-I465 HydrophobicContact CD1-CG2 3.88Å; M460-I465 HydrophobicContact CE-CG1 3.71Å; M460-I465 HydrophobicContact CG-CD1 4.08Å; M460-I465 HydrophobicContact CG-CG1 4.09Å; G462-I465 PolarHBondContact O-N 3.08Å; G463-I465 VanDerWaalsContact C-N 3.35Å; I465-V486 HydrophobicContact CG2-CG1 3.82Å; I465-Q523 HydrophobicContact CD1-CG 4Å
466	R	89.8	Confident	93.5	Very high	38 Å²	38	28.6 Å²	28.6	14%	0.143	14%	0.136	C	C	.	.			trans	-100.7	-16.6	-160	-57.2	-52.1	-63.4	-158.8	-9.9	115.9	R425 G463 V486 P488 F489	R425-R466 VanDerWaalsContact NH2-NH1 3.2Å; G463-R466 WeakPolarHBondContact O-CD 3.38Å; G463-R466 PolarHBondContact O-NH1 2.99Å; R466-V486 PolarHBondContact N-O 3.15Å; R466-P488 HydrophobicContact CB-CG 4.1Å; R466-P488 VanDerWaalsContact CG-CD 3.44Å; R466-P488 HydrophobicContact CG-CG 3.63Å; R466-F489 HydrophobicContact CG-CE2 3.74Å; R466-F489 HydrophobicContact CG-CZ 4.12Å
467	S	92.7	Very high	93.5	Very high	7 Å²	7	29.7 Å²	29.7	5%	0.049	14%	0.144	C	C	.	.			trans	-151.4	151.8	-177.2	-168	0	0	0	0	112	I120 A419 L431 V486	I120-S467 WeakPolarHBondContact CG2-OG 3.35Å; A419-S467 WeakPolarHBondContact CB-O 3.44Å; L431-S467 WeakPolarHBondContact CD2-O 3.17Å; S467-V486 WeakPolarHBondContact O-CG2 3.41Å
468	S	94.9	Very high	93.5	Very high	12 Å²	12	29.7 Å²	29.7	8%	0.084	14%	0.144	C	C	.	.			trans	-86.9	161.5	169.9	-54.7	0	0	0	0	110.3	I120 F416 L417 A419 S420	I120-S468 WeakPolarHBondContact CG2-O 3.35Å; F416-S468 VanDerWaalsContact CZ-CB 3.49Å; L417-S468 CarbonylContact O-C 3.49Å; L417-S468 WeakPolarHBondContact O-CA 3.34Å; L417-S468 WeakPolarHBondContact O-CB 3.39Å; A419-S468 PolarHBondContact N-OG 3.43Å; S420-S468 PolarHBondContact N-OG 2.99Å
469	I	95	Very high	93.3	Very high	12 Å²	12	30.5 Å²	30.5	6%	0.062	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-121.8	123.1	170.7	-56.9	170.4	0	0	0	108	T413 L417 V478 D482 L483 V486	T413-I469 HydrophobicContact CG2-CG2 4.47Å; L417-I469 HydrophobicContact CB-CB 4.08Å; L417-I469 HydrophobicContact CD1-CB 4.13Å; L417-I469 HydrophobicContact CD1-CD1 4.08Å; L417-I469 HydrophobicContact CG-CB 4.46Å; L417-I469 PolarHBondContact N-O 2.99Å; L417-I469 PolarHBondContact O-N 3.29Å; I469-V478 HydrophobicContact CD1-CG1 3.88Å; I469-V478 HydrophobicContact CG2-CG2 4.07Å; I469-D482 HydrophobicContact CD1-CB 4Å; I469-D482 HydrophobicContact CG1-CB 4.27Å; I469-L483 HydrophobicContact CD1-CD2 4.18Å; I469-V486 HydrophobicContact CD1-CG2 3.72Å; I469-V486 HydrophobicContact CG1-CG2 3.87Å
470	D	93.3	Very high	92.9	Very high	22 Å²	22	32.1 Å²	32.1	12%	0.118	16%	0.157	C	C	.	.			trans	-92.2	123.6	179.1	-169.8	-31.5	0	0	0	110.5	I120 F416 R472 T473	I120-D470 HydrophobicContact CD1-CB 3.63Å; F416-D470 HydrophobicContact CD2-CB 3.98Å; F416-D470 HydrophobicContact CE2-CB 3.92Å; D470-R472 PolarHBondContact O-N 2.85Å; D470-R472 VanDerWaalsContact O-N 3.14Å; D470-R472 WeakPolarHBondContact OD1-CB 3.4Å; D470-R472 VanDerWaalsContact OD1-CG 3.29Å; D470-R472 WeakPolarHBondContact OD1-CG 3.34Å; D470-R472 PolarHBondContact OD1-N 3.17Å; D470-T473 PolarHBondContact O-N 2.98Å; D470-T473 PolarHBondContact O-OG1 2.95Å
471	E	93.3	Very high	92.5	Very high	38 Å²	38	32.8 Å²	32.8	18%	0.178	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.5	-179.9	80.2	-70.7	173	0	0	112.7	T413 F416 G476	T413-E471 HydrophobicContact CG2-CB 3.94Å; F416-E471 WeakPolarHBondContact CA-OE2 3.41Å; F416-E471 WeakPolarHBondContact CB-OE2 3.48Å; F416-E471 PolarHBondContact N-OE2 2.9Å; E471-G476 VanDerWaalsContact O-CA 3.31Å; E471-G476 WeakPolarHBondContact O-CA 3.22Å; E471-G476 PolarHBondContact O-N 3.24Å
472	R	90	Very high	92.3	Very high	185 Å²	185	33.4 Å²	33.4	70%	0.698	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-20.8	-175.1	-56.5	170.1	-173.2	-166.2	-1.2	112.8	D470 Y474	D470-R472 PolarHBondContact O-N 2.85Å; D470-R472 VanDerWaalsContact O-N 3.14Å; D470-R472 WeakPolarHBondContact OD1-CB 3.4Å; D470-R472 VanDerWaalsContact OD1-CG 3.29Å; D470-R472 WeakPolarHBondContact OD1-CG 3.34Å; D470-R472 PolarHBondContact OD1-N 3.17Å; R472-Y474 PolarHBondContact O-N 3.01Å
473	T	83.1	Confident	92.2	Very high	20 Å²	20	33.4 Å²	33.4	12%	0.123	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-43	-174	-48	0	0	0	0	112.2	D470	D470-T473 PolarHBondContact O-N 2.98Å; D470-T473 PolarHBondContact O-OG1 2.95Å
474	Y	86	Confident	92	Very high	90 Å²	90	34.5 Å²	34.5	35%	0.353	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.9	46.2	-178	-58.9	-67.2	0	0	0	113.4	K121 R472 G476 S477	K121-Y474 HydrophobicContact CD-CE2 3.89Å; K121-Y474 WeakPolarHBondContact CE-OH 3.3Å; K121-Y474 HydrophobicContact CG-CE2 4.34Å; R472-Y474 PolarHBondContact O-N 3.01Å; Y474-G476 VanDerWaalsContact C-N 3.25Å; Y474-G476 PolarHBondContact O-N 2.75Å; Y474-S477 VanDerWaalsContact O-CB 3.26Å; Y474-S477 WeakPolarHBondContact O-CB 3.38Å; Y474-S477 PolarHBondContact O-N 3.31Å; Y474-S477 PolarHBondContact O-OG 2.7Å
475	N	88.6	Confident	91.9	Very high	141 Å²	141	34.8 Å²	34.8	75%	0.754	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	44.6	-178.9	-62.6	-9.3	0	0	0	112.6	S477	N475-S477 PolarHBondContact O-N 2.82Å
476	G	92.3	Very high	91.8	Very high	5 Å²	5	34.6 Å²	34.6	5%	0.052	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-5.1	179.9	0	0	0	0	0	114.7	K412 T413 E471 Y474 V478	K412-G476 CarbonylContact C-O 3.5Å; K412-G476 WeakPolarHBondContact CA-O 3.15Å; T413-G476 PolarHBondContact N-O 3.24Å; T413-G476 VanDerWaalsContact O-CA 3.24Å; T413-G476 WeakPolarHBondContact O-CA 3.36Å; E471-G476 VanDerWaalsContact O-CA 3.31Å; E471-G476 WeakPolarHBondContact O-CA 3.22Å; E471-G476 PolarHBondContact O-N 3.24Å; Y474-G476 VanDerWaalsContact C-N 3.25Å; Y474-G476 PolarHBondContact O-N 2.75Å; G476-V478 PolarHBondContact O-N 3.14Å
477	S	95.1	Very high	92	Very high	29 Å²	29	32.9 Å²	32.9	20%	0.203	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	127.4	-177.5	-49.5	0	0	0	0	110.7	Y474 N475	Y474-S477 VanDerWaalsContact O-CB 3.26Å; Y474-S477 WeakPolarHBondContact O-CB 3.38Å; Y474-S477 PolarHBondContact O-N 3.31Å; Y474-S477 PolarHBondContact O-OG 2.7Å; N475-S477 PolarHBondContact O-N 2.82Å
478	V	95.9	Very high	91.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.7	176.7	-177.6	0	0	0	0	108.4	V409 V410 G411 T413 I469 G476 D482 L483 M604	V409-V478 CarbonylContact C-O 3.58Å; V409-V478 WeakPolarHBondContact CA-O 3.4Å; V410-V478 HydrophobicContact CG2-CG1 4.16Å; V410-V478 PolarHBondContact N-O 3.45Å; G411-V478 PolarHBondContact N-O 2.66Å; G411-V478 PolarHBondContact O-N 3.4Å; T413-V478 HydrophobicContact CG2-CG2 3.94Å; I469-V478 HydrophobicContact CD1-CG1 3.88Å; I469-V478 HydrophobicContact CG2-CG2 4.07Å; G476-V478 PolarHBondContact O-N 3.14Å; V478-D482 HydrophobicContact CG1-CB 4.02Å; V478-L483 HydrophobicContact CG1-CD2 3.69Å; V478-L483 HydrophobicContact CG1-CG 4.26Å; V478-M604 HydrophobicContact CB-CE 3.71Å; V478-M604 HydrophobicContact CG1-CE 3.85Å; V478-M604 HydrophobicContact CG1-SD 4.17Å; V478-M604 HydrophobicContact CG2-CE 3.72Å
479	T	93.9	Very high	91.2	Very high	16 Å²	16	36.5 Å²	36.5	10%	0.098	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	166.1	-179.9	63.8	0	0	0	0	111.8	R408 V409 E481 D482 L483	R408-T479 CarbonylContact O-C 3.49Å; R408-T479 WeakPolarHBondContact O-CA 3.05Å; V409-T479 HydrophobicContact CG2-CG2 4.14Å; T479-E481 PolarHBondContact O-N 3.42Å; T479-E481 WeakPolarHBondContact OG1-CB 3.47Å; T479-D482 WeakPolarHBondContact CB-OD2 3.46Å; T479-D482 PolarHBondContact N-OD2 3.31Å; T479-D482 WeakPolarHBondContact O-CB 3.39Å; T479-D482 PolarHBondContact O-N 3.02Å; T479-D482 VanDerWaalsContact O-N 3.14Å; T479-D482 VanDerWaalsContact OG1-CG 3.25Å; T479-D482 PolarHBondContact OG1-N 3.43Å; T479-D482 PolarHBondContact OG1-OD2 3.41Å; T479-L483 PolarHBondContact O-N 2.71Å
480	L	90.9	Very high	90.5	Very high	34 Å²	34	38.3 Å²	38.3	18%	0.178	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-33.1	171.5	-177.8	62.2	0	0	0	111.6	T406 R408 V410 D482 L483 L484 V597	T406-L480 PolarHBondContact O-N 2.9Å; R408-L480 PolarHBondContact O-N 3.25Å; V410-L480 HydrophobicContact CG1-CB 4.22Å; L480-D482 VanDerWaalsContact C-N 3.32Å; L480-D482 PolarHBondContact O-N 3.11Å; L480-L483 PolarHBondContact O-N 3.28Å; L480-L484 HydrophobicContact CD1-CG 4.41Å; L480-L484 HydrophobicContact CG-CD1 3.96Å; L480-L484 HydrophobicContact CG-CG 4.34Å; L480-L484 WeakPolarHBondContact O-CB 3.49Å; L480-L484 VanDerWaalsContact O-CG 3.31Å; L480-L484 WeakPolarHBondContact O-CG 3.31Å; L480-L484 PolarHBondContact O-N 2.79Å; L480-V597 HydrophobicContact CD1-CG1 3.45Å; L480-V597 VanDerWaalsContact CD1-CG1 3.45Å
481	E	90.6	Very high	90.2	Very high	18 Å²	18	38 Å²	38	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-57.4	-44.4	172.2	-165.3	-166.5	133.3	0	0	112.1	K121 V162 T406 T479 L484 T485	K121-E481 IonicContact NZ-OE1 2.76Å; K121-E481 PolarHBondContact NZ-OE1 3.18Å; K121-E481 IonicContact NZ-OE2 2.82Å; K121-E481 PolarHBondContact NZ-OE2 3.21Å; V162-E481 HydrophobicContact CB-CG 4.09Å; V162-E481 HydrophobicContact CG1-CG 3.65Å; V162-E481 HydrophobicContact CG2-CG 4.32Å; T406-E481 PolarHBondContact O-N 2.97Å; T406-E481 WeakPolarHBondContact OG1-CB 3.34Å; T479-E481 PolarHBondContact O-N 3.42Å; T479-E481 WeakPolarHBondContact OG1-CB 3.47Å; E481-L484 PolarHBondContact O-N 3.47Å; E481-T485 WeakPolarHBondContact O-CB 3.24Å; E481-T485 PolarHBondContact O-N 2.91Å; E481-T485 PolarHBondContact O-OG1 3.21Å
482	D	93.1	Very high	89.9	Confident	16 Å²	16	37.7 Å²	37.7	9%	0.086	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-44.3	177.9	-57.4	-53.2	0	0	0	110	I469 V478 T479 L480 T485 V486	I469-D482 HydrophobicContact CD1-CB 4Å; I469-D482 HydrophobicContact CG1-CB 4.27Å; V478-D482 HydrophobicContact CG1-CB 4.02Å; T479-D482 WeakPolarHBondContact CB-OD2 3.46Å; T479-D482 PolarHBondContact N-OD2 3.31Å; T479-D482 WeakPolarHBondContact O-CB 3.39Å; T479-D482 PolarHBondContact O-N 3.02Å; T479-D482 VanDerWaalsContact O-N 3.14Å; T479-D482 VanDerWaalsContact OG1-CG 3.25Å; T479-D482 PolarHBondContact OG1-N 3.43Å; T479-D482 PolarHBondContact OG1-OD2 3.41Å; L480-D482 VanDerWaalsContact C-N 3.32Å; L480-D482 PolarHBondContact O-N 3.11Å; D482-T485 WeakPolarHBondContact O-CB 2.99Å; D482-T485 PolarHBondContact O-N 2.78Å; D482-T485 VanDerWaalsContact O-N 3.13Å; D482-V486 WeakPolarHBondContact O-CG2 3.41Å; D482-V486 PolarHBondContact O-N 3.37Å
483	L	93.7	Very high	90.1	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-66.6	-40.4	178.8	-59.6	-165.1	0	0	0	113.2	V410 I469 V478 T479 L480 T485 V486 L487 V597 L600 M604	V410-L483 HydrophobicContact CB-CD1 4.49Å; V410-L483 HydrophobicContact CG2-CD1 3.56Å; V410-L483 HydrophobicContact CG2-CG 3.94Å; I469-L483 HydrophobicContact CD1-CD2 4.18Å; V478-L483 HydrophobicContact CG1-CD2 3.69Å; V478-L483 HydrophobicContact CG1-CG 4.26Å; T479-L483 PolarHBondContact O-N 2.71Å; L480-L483 PolarHBondContact O-N 3.28Å; L483-T485 PolarHBondContact O-N 3.45Å; L483-V486 PolarHBondContact O-N 2.84Å; L483-V486 VanDerWaalsContact O-N 3.11Å; L483-L487 PolarHBondContact O-N 2.91Å; L483-V597 HydrophobicContact CB-CG1 4.11Å; L483-L600 HydrophobicContact CD1-CB 4.42Å; L483-L600 HydrophobicContact CD1-CD2 4.35Å; L483-L600 HydrophobicContact CD1-CG 4.07Å; L483-L600 HydrophobicContact CD2-CD2 3.75Å; L483-L600 HydrophobicContact CD2-CG 4.13Å; L483-L600 HydrophobicContact CG-CD2 4.47Å; L483-M604 HydrophobicContact CD1-SD 4.42Å; L483-M604 HydrophobicContact CD2-SD 3.83Å
484	L	90.6	Very high	90.6	Very high	30 Å²	30	28.3 Å²	28.3	16%	0.157	16%	0.162	C	C	.	.	H	α-helix	trans	-63.9	-26.7	173.5	-74.1	165.8	0	0	0	111.7	V162 T165 T406 L480 E481 L487 P488 V597	V162-L484 HydrophobicContact CG2-CB 4.41Å; V162-L484 HydrophobicContact CG2-CD1 4.19Å; T165-L484 HydrophobicContact CG2-CD2 4.37Å; T406-L484 HydrophobicContact CG2-CD1 3.48Å; T406-L484 VanDerWaalsContact CG2-CD1 3.48Å; L480-L484 HydrophobicContact CD1-CG 4.41Å; L480-L484 HydrophobicContact CG-CD1 3.96Å; L480-L484 HydrophobicContact CG-CG 4.34Å; L480-L484 WeakPolarHBondContact O-CB 3.49Å; L480-L484 VanDerWaalsContact O-CG 3.31Å; L480-L484 WeakPolarHBondContact O-CG 3.31Å; L480-L484 PolarHBondContact O-N 2.79Å; E481-L484 PolarHBondContact O-N 3.47Å; L484-L487 CarbonylContact O-C 3.23Å; L484-P488 WeakPolarHBondContact O-CA 3.38Å; L484-P488 WeakPolarHBondContact O-CB 3.47Å; L484-V597 HydrophobicContact CD2-CB 4.42Å; L484-V597 HydrophobicContact CD2-CG1 4.06Å; L484-V597 HydrophobicContact CD2-CG2 3.93Å; L484-V597 HydrophobicContact CG-CG1 4.19Å
485	T	91	Very high	90.8	Very high	12 Å²	12	25.1 Å²	25.1	7%	0.074	15%	0.151	C	C	.	.	H	α-helix	trans	-79.1	-30.4	174	-59.3	0	0	0	0	111.9	M161 E481 D482 L483	M161-T485 HydrophobicContact CE-CG2 4.33Å; M161-T485 HydrophobicContact SD-CG2 3.34Å; M161-T485 WeakPolarHBondContact SD-CG2 3.33Å; E481-T485 WeakPolarHBondContact O-CB 3.24Å; E481-T485 PolarHBondContact O-N 2.91Å; E481-T485 PolarHBondContact O-OG1 3.21Å; D482-T485 WeakPolarHBondContact O-CB 2.99Å; D482-T485 PolarHBondContact O-N 2.78Å; D482-T485 VanDerWaalsContact O-N 3.13Å; L483-T485 PolarHBondContact O-N 3.45Å
486	V	94.1	Very high	91.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-72.5	-44.3	173.1	178	0	0	0	0	111.7	L431 I435 I465 R466 S467 I469 D482 L483 P488	L431-V486 HydrophobicContact CD1-CG1 4.44Å; L431-V486 HydrophobicContact CD2-CG1 3.86Å; L431-V486 HydrophobicContact CD2-CG2 4.07Å; L431-V486 HydrophobicContact CG-CG1 4.29Å; I435-V486 HydrophobicContact CD1-CG1 3.99Å; I465-V486 HydrophobicContact CG2-CG1 3.82Å; R466-V486 PolarHBondContact N-O 3.15Å; S467-V486 WeakPolarHBondContact O-CG2 3.41Å; I469-V486 HydrophobicContact CD1-CG2 3.72Å; I469-V486 HydrophobicContact CG1-CG2 3.87Å; D482-V486 WeakPolarHBondContact O-CG2 3.41Å; D482-V486 PolarHBondContact O-N 3.37Å; L483-V486 PolarHBondContact O-N 2.84Å; L483-V486 VanDerWaalsContact O-N 3.11Å; V486-P488 WeakPolarHBondContact O-CD 3.46Å
487	L	93.4	Very high	91.3	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.016	13%	0.127	C	C	.	.	S	Bend	trans	-124.2	74.3	-175.5	-63	172	0	0	0	110.5	I435 M460 L483 L484 F489 F493 D596 V597 L600	I435-L487 HydrophobicContact CD1-CD2 4.27Å; M460-L487 HydrophobicContact CE-CD2 3.86Å; L483-L487 PolarHBondContact O-N 2.91Å; L484-L487 CarbonylContact O-C 3.23Å; L487-F489 PolarHBondContact O-N 3.23Å; L487-F493 HydrophobicContact CD1-CE2 4.45Å; L487-F493 HydrophobicContact CD1-CZ 3.89Å; L487-D596 HydrophobicContact CD1-CB 4.23Å; L487-V597 HydrophobicContact CB-CG2 3.83Å; L487-V597 VanDerWaalsContact O-CG2 3.3Å; L487-V597 WeakPolarHBondContact O-CG2 3.4Å; L487-L600 HydrophobicContact CD1-CB 4.35Å; L487-L600 HydrophobicContact CD1-CD2 3.89Å
488	P	87.9	Confident	91.5	Very high	8 Å²	8	19.7 Å²	19.7	5%	0.052	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-0.1	-165.6	39.4	-41.3	0	0	0	114.4	Q159 R466 L484 V486	Q159-P488 HydrophobicContact CG-CG 4.27Å; Q159-P488 VanDerWaalsContact OE1-CG 3.24Å; R466-P488 HydrophobicContact CB-CG 4.1Å; R466-P488 VanDerWaalsContact CG-CD 3.44Å; R466-P488 HydrophobicContact CG-CG 3.63Å; L484-P488 WeakPolarHBondContact O-CA 3.38Å; L484-P488 WeakPolarHBondContact O-CB 3.47Å; V486-P488 WeakPolarHBondContact O-CD 3.46Å
489	F	83.8	Confident	91.6	Very high	86 Å²	86	24.4 Å²	24.4	38%	0.377	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-17	-174	-59.1	-71.8	0	0	0	113.7	Q159 H189 R466 L487 G491	Q159-F489 HydrophobicContact CG-CD1 4.3Å; Q159-F489 HydrophobicContact CG-CE1 3.64Å; Q159-F489 HydrophobicContact CG-CZ 4.15Å; Q159-F489 VanDerWaalsContact NE2-CE1 3.34Å; H189-F489 AromaticContact CE1-CE1 3.74Å; H189-F489 AromaticContact CE1-CZ 4Å; R466-F489 HydrophobicContact CG-CE2 3.74Å; R466-F489 HydrophobicContact CG-CZ 4.12Å; L487-F489 PolarHBondContact O-N 3.23Å; F489-G491 VanDerWaalsContact C-N 3.29Å; F489-G491 PolarHBondContact O-N 3.43Å
490	G	79.8	Confident	91.8	Very high	50 Å²	50	23.7 Å²	23.7	52%	0.515	13%	0.133	S	C	.	.			trans	63.4	35	-177.4	0	0	0	0	0	113
491	G	86.9	Confident	92.2	Very high	17 Å²	17	24.5 Å²	24.5	18%	0.175	14%	0.142	C	C	.	.			trans	-82.5	-175.1	179.2	0	0	0	0	0	112.4	F489 L595 D596	F489-G491 VanDerWaalsContact C-N 3.29Å; F489-G491 PolarHBondContact O-N 3.43Å; G491-L595 VanDerWaalsContact O-CD1 3.31Å; G491-L595 WeakPolarHBondContact O-CD1 3.22Å; G491-D596 PolarHBondContact N-OD2 3.18Å; G491-D596 WeakPolarHBondContact O-CB 3.33Å; G491-D596 PolarHBondContact O-N 2.89Å
492	T	86.3	Confident	92.6	Very high	31 Å²	31	24.4 Å²	24.4	19%	0.19	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	156.4	173.8	53.3	0	0	0	0	110.5	D494 P570 S571 I592 H594	T492-D494 VanDerWaalsContact CB-OD1 3.28Å; T492-D494 WeakPolarHBondContact CB-OD1 3.47Å; T492-D494 PolarHBondContact OG1-OD1 3.14Å; T492-P570 CarbonylContact O-C 3.54Å; T492-P570 WeakPolarHBondContact O-CA 3.26Å; T492-S571 PolarHBondContact N-OG 2.77Å; T492-S571 PolarHBondContact O-N 2.89Å; T492-S571 WeakPolarHBondContact OG1-CB 3.33Å; T492-I592 HydrophobicContact CG2-CG2 4.48Å; T492-H594 VanDerWaalsContact CA-O 3.26Å; T492-H594 WeakPolarHBondContact CA-O 3.38Å; T492-H594 WeakPolarHBondContact CB-O 3.4Å
493	F	95.1	Very high	92.8	Very high	3 Å²	3	23.6 Å²	23.6	1%	0.013	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	100.3	169	-65.7	-34.8	0	0	0	109.4	I435 M439 Y443 M460 L487 V568 L569 P570 G593 H594 D596 V599	I435-F493 HydrophobicContact CG2-CE2 4.31Å; I435-F493 HydrophobicContact CG2-CZ 3.78Å; M439-F493 HydrophobicContact CE-CB 4.02Å; M439-F493 HydrophobicContact CE-CD1 3.67Å; M439-F493 HydrophobicContact CE-CE1 4.23Å; M439-F493 HydrophobicContact CE-CG 3.84Å; M439-F493 HydrophobicContact CG-CB 4.05Å; M439-F493 HydrophobicContact CG-CD1 4.1Å; M439-F493 HydrophobicContact CG-CD2 3.29Å; M439-F493 HydrophobicContact CG-CE1 4.35Å; M439-F493 HydrophobicContact CG-CE2 3.57Å; M439-F493 HydrophobicContact CG-CG 3.56Å; M439-F493 HydrophobicContact CG-CZ 4.1Å; M439-F493 HydrophobicContact SD-CD1 3.74Å; M439-F493 HydrophobicContact SD-CD2 4Å; M439-F493 HydrophobicContact SD-CE1 3.76Å; M439-F493 HydrophobicContact SD-CE2 4Å; M439-F493 HydrophobicContact SD-CG 3.86Å; M439-F493 HydrophobicContact SD-CZ 3.89Å; Y443-F493 VanDerWaalsContact CE2-O 3.29Å; Y443-F493 WeakPolarHBondContact CE2-O 3.34Å; Y443-F493 VanDerWaalsContact CZ-O 3.3Å; Y443-F493 PolarHBondContact OH-O 3.03Å; M460-F493 HydrophobicContact SD-CE1 4.37Å; L487-F493 HydrophobicContact CD1-CE2 4.45Å; L487-F493 HydrophobicContact CD1-CZ 3.89Å; F493-V568 HydrophobicContact CB-CG1 4.03Å; F493-L569 CarbonylContact C-O 3.44Å; F493-P570 HydrophobicContact CD1-CG 4.37Å; F493-P570 HydrophobicContact CE1-CG 4.3Å; F493-G593 WeakPolarHBondContact O-CA 3.21Å; F493-H594 PolarHBondContact N-O 3.14Å; F493-D596 HydrophobicContact CD1-CB 4.07Å; F493-D596 HydrophobicContact CD2-CB 4.21Å; F493-D596 HydrophobicContact CE1-CB 3.64Å; F493-D596 HydrophobicContact CE2-CB 3.81Å; F493-D596 WeakPolarHBondContact CE2-O 3.17Å; F493-D596 HydrophobicContact CG-CB 4.35Å; F493-D596 HydrophobicContact CZ-CB 3.51Å; F493-V599 HydrophobicContact CD2-CB 3.7Å; F493-V599 HydrophobicContact CD2-CG1 3.75Å; F493-V599 HydrophobicContact CD2-CG2 4.01Å; F493-V599 HydrophobicContact CE2-CB 4.06Å; F493-V599 HydrophobicContact CE2-CG1 4.12Å
494	D	93.4	Very high	93	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	152.8	-169.7	-68.4	-3.2	0	0	0	112	T492 V568 L569 V574 H590 G593	T492-D494 VanDerWaalsContact CB-OD1 3.28Å; T492-D494 WeakPolarHBondContact CB-OD1 3.47Å; T492-D494 PolarHBondContact OG1-OD1 3.14Å; D494-V568 CarbonylContact O-C 3.54Å; D494-V568 VanDerWaalsContact O-CA 3.29Å; D494-V568 WeakPolarHBondContact O-CA 3.42Å; D494-V568 WeakPolarHBondContact O-CG1 3.32Å; D494-L569 PolarHBondContact N-O 3.39Å; D494-L569 PolarHBondContact O-N 3.34Å; D494-V574 HydrophobicContact CB-CG2 3.95Å; D494-H590 IonicContact OD2-CD2 2.67Å; D494-H590 IonicContact OD2-CE1 3.07Å; D494-H590 IonicContact OD2-NE2 2.81Å; D494-H590 PolarHBondContact OD2-NE2 3.16Å; D494-G593 PolarHBondContact OD1-N 2.83Å
495	L	90.8	Very high	93.4	Very high	23 Å²	23	27 Å²	27	12%	0.12	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	129	170.8	-75.4	167.2	0	0	0	109.6	Y443 V455 T566 V568 H590 S591	Y443-L495 HydrophobicContact CD1-CD1 3.52Å; Y443-L495 HydrophobicContact CD1-CD2 4.48Å; Y443-L495 HydrophobicContact CD1-CG 4.02Å; Y443-L495 HydrophobicContact CD2-CD2 4.23Å; Y443-L495 HydrophobicContact CD2-CG 4.26Å; Y443-L495 HydrophobicContact CE1-CD1 3.83Å; Y443-L495 HydrophobicContact CE1-CG 4.15Å; Y443-L495 HydrophobicContact CE2-CG 4.36Å; Y443-L495 HydrophobicContact CG-CD1 3.97Å; Y443-L495 HydrophobicContact CG-CD2 4.1Å; Y443-L495 HydrophobicContact CG-CG 4.09Å; V455-L495 HydrophobicContact CB-CD2 4.15Å; V455-L495 HydrophobicContact CG1-CD2 4.49Å; V455-L495 HydrophobicContact CG2-CD2 3.87Å; L495-T566 HydrophobicContact CD2-CG2 3.95Å; L495-V568 HydrophobicContact CD2-CG2 3.78Å; L495-H590 CarbonylContact O-C 3.57Å; L495-H590 WeakPolarHBondContact O-CA 3.26Å; L495-S591 PolarHBondContact N-O 3.35Å; L495-S591 PolarHBondContact O-N 3.09Å
496	V	95.4	Very high	93.8	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.6	171.7	-58.9	0	0	0	0	111.9	L498 T566 V567 L569 V574 I587 K589 H590	V496-L498 HydrophobicContact CG2-CD1 3.84Å; V496-L498 HydrophobicContact CG2-CD2 4.24Å; V496-L498 HydrophobicContact CG2-CG 3.77Å; V496-T566 CarbonylContact O-C 3.52Å; V496-T566 VanDerWaalsContact O-CA 3.29Å; V496-T566 WeakPolarHBondContact O-CA 3.48Å; V496-V567 PolarHBondContact N-O 3.38Å; V496-V567 PolarHBondContact O-N 3.42Å; V496-L569 HydrophobicContact CB-CD2 3.93Å; V496-L569 HydrophobicContact CG1-CD2 3.57Å; V496-L569 HydrophobicContact CG2-CD2 3.16Å; V496-V574 HydrophobicContact CG1-CG2 4.04Å; V496-I587 HydrophobicContact CB-CG1 4.17Å; V496-I587 HydrophobicContact CG1-CD1 4Å; V496-I587 HydrophobicContact CG1-CG1 4.01Å; V496-K589 CarbonylContact C-O 3.58Å; V496-K589 WeakPolarHBondContact CA-O 3.39Å; V496-H590 HydrophobicContact CG1-CB 4.47Å
497	Q	96.7	Very high	94	Very high	60 Å²	60	26.7 Å²	26.7	28%	0.28	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.1	167.6	-171.4	173.6	73.5	0	0	110	L564 Y565 L588 K589	Q497-L564 HydrophobicContact CG-CB 4.18Å; Q497-Y565 WeakPolarHBondContact CA-O 3.29Å; Q497-L588 PolarHBondContact O-N 3.24Å; Q497-K589 HydrophobicContact CB-CB 3.84Å; Q497-K589 PolarHBondContact N-O 3.06Å
498	L	97.8	Very high	94.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.7	-177.7	-59.3	172.3	0	0	0	110.6	V496 T502 L564 Y565 G586 I587	V496-L498 HydrophobicContact CG2-CD1 3.84Å; V496-L498 HydrophobicContact CG2-CD2 4.24Å; V496-L498 HydrophobicContact CG2-CG 3.77Å; L498-T502 HydrophobicContact CD2-CG2 3.99Å; L498-L564 WeakPolarHBondContact O-CA 3.4Å; L498-Y565 PolarHBondContact N-O 3.46Å; L498-Y565 PolarHBondContact O-N 3.22Å; L498-G586 WeakPolarHBondContact CD2-O 3.3Å; L498-I587 HydrophobicContact CD2-CB 4.45Å; L498-I587 HydrophobicContact CD2-CG1 3.84Å
499	K	98.5	Very high	94.7	Very high	99 Å²	99	29.4 Å²	29.4	43%	0.43	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	151	163.4	-68.3	-178.1	179	177	0	110.1	S501 T502 L503 A563 L564 L588	K499-S501 PolarHBondContact O-N 3.48Å; K499-T502 WeakPolarHBondContact O-CB 3.45Å; K499-T502 PolarHBondContact O-N 3.04Å; K499-L503 PolarHBondContact O-N 2.94Å; K499-A563 CarbonylContact C-O 3.59Å; K499-A563 WeakPolarHBondContact CA-O 3.13Å; K499-L564 HydrophobicContact CG-CD2 3.85Å; K499-L588 HydrophobicContact CG-CD1 4.11Å
500	G	98.4	Very high	95.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.2	-34.1	173.3	0	0	0	0	0	113.2	T502 L503 R504 Q560 D561 A563	G500-T502 VanDerWaalsContact C-N 3.33Å; G500-T502 PolarHBondContact O-N 3.16Å; G500-L503 PolarHBondContact O-N 3.33Å; G500-R504 WeakPolarHBondContact O-CB 3.42Å; G500-R504 PolarHBondContact O-N 3.39Å; G500-Q560 WeakPolarHBondContact CA-O 3.46Å; G500-D561 PolarHBondContact N-O 2.85Å; G500-A563 PolarHBondContact N-O 2.98Å
501	S	98.6	Very high	96.1	Very high	52 Å²	52	23.2 Å²	23.2	36%	0.364	13%	0.127	S	C	.	.	H	α-helix	trans	-61	-41.4	174.3	60.1	0	0	0	0	112.1	K499 A505 D561	K499-S501 PolarHBondContact O-N 3.48Å; S501-A505 WeakPolarHBondContact O-CB 3.25Å; S501-A505 PolarHBondContact O-N 2.99Å; S501-D561 PolarHBondContact N-O 3.09Å
502	T	98.6	Very high	96.5	Very high	15 Å²	15	24.8 Å²	24.8	9%	0.092	13%	0.129	C	C	.	.	H	α-helix	trans	-66.9	-43.7	177.1	-54.5	0	0	0	0	110.8	L498 K499 G500 R504 A505 A506 V582	L498-T502 HydrophobicContact CD2-CG2 3.99Å; K499-T502 WeakPolarHBondContact O-CB 3.45Å; K499-T502 PolarHBondContact O-N 3.04Å; G500-T502 VanDerWaalsContact C-N 3.33Å; G500-T502 PolarHBondContact O-N 3.16Å; T502-R504 PolarHBondContact O-N 3.32Å; T502-A505 PolarHBondContact O-N 2.92Å; T502-A506 PolarHBondContact O-N 3.49Å; T502-V582 HydrophobicContact CG2-CG2 4.26Å; T502-V582 WeakPolarHBondContact CG2-O 3.39Å
503	L	97.9	Very high	96.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.4	-44.9	177.5	-173.2	63.3	0	0	0	111.3	I459 K499 G500 A505 A506 F507 L527 L544 I546 V559 V567	I459-L503 HydrophobicContact CG2-CD1 4.43Å; K499-L503 PolarHBondContact O-N 2.94Å; G500-L503 PolarHBondContact O-N 3.33Å; L503-A505 PolarHBondContact O-N 3.13Å; L503-A506 WeakPolarHBondContact O-CB 3.39Å; L503-A506 PolarHBondContact O-N 3.27Å; L503-F507 HydrophobicContact CD1-CD2 4.41Å; L503-F507 HydrophobicContact CD1-CE2 3.92Å; L503-F507 HydrophobicContact CG-CD2 4.33Å; L503-F507 HydrophobicContact CG-CE2 4.09Å; L503-F507 VanDerWaalsContact O-CD2 3.28Å; L503-F507 WeakPolarHBondContact O-CD2 3.31Å; L503-F507 PolarHBondContact O-N 3.06Å; L503-F507 VanDerWaalsContact O-N 3.13Å; L503-L527 HydrophobicContact CD2-CD2 4.23Å; L503-L544 HydrophobicContact CD2-CD2 4.29Å; L503-L544 HydrophobicContact CG-CD2 4.11Å; L503-I546 HydrophobicContact CD2-CD1 4.47Å; L503-V559 HydrophobicContact CD2-CG1 4.48Å; L503-V559 HydrophobicContact CD2-CG2 4.26Å; L503-V567 HydrophobicContact CD1-CG2 4.45Å
504	R	98.5	Very high	96.6	Very high	66 Å²	66	30.7 Å²	30.7	25%	0.249	15%	0.15	C	C	.	.	H	α-helix	trans	-59.7	-46	174.8	-174	-176.3	-54.1	-69.5	-4.9	111.8	G500 T502 A506 F507 E508 V541 L544 V559 D561	G500-R504 WeakPolarHBondContact O-CB 3.42Å; G500-R504 PolarHBondContact O-N 3.39Å; T502-R504 PolarHBondContact O-N 3.32Å; R504-A506 VanDerWaalsContact C-N 3.29Å; R504-A506 PolarHBondContact O-N 2.91Å; R504-F507 PolarHBondContact O-N 3.45Å; R504-F507 VanDerWaalsContact O-N 3.16Å; R504-E508 PolarHBondContact O-N 3.31Å; R504-V541 HydrophobicContact CG-CG1 4.47Å; R504-L544 HydrophobicContact CB-CD2 4.34Å; R504-V559 PolarHBondContact NH2-O 3.34Å; R504-D561 IonicContact CZ-OD1 3.95Å; R504-D561 IonicContact NE-OD1 2.95Å; R504-D561 PolarHBondContact NE-OD1 2.87Å; R504-D561 VanDerWaalsContact NE-OD1 3.08Å; R504-D561 IonicContact NH2-OD1 3.88Å; R504-D561 PolarHBondContact NH2-OD1 2.9Å; R504-D561 VanDerWaalsContact NH2-OD1 3.12Å
505	A	98.5	Very high	96.3	Very high	37 Å²	37	32.9 Å²	32.9	31%	0.306	17%	0.174	S	C	.	.	H	α-helix	trans	-65.4	-31.8	178.8	0	0	0	0	0	112.6	S501 T502 L503 E508 H509 V582	S501-A505 WeakPolarHBondContact O-CB 3.25Å; S501-A505 PolarHBondContact O-N 2.99Å; T502-A505 PolarHBondContact O-N 2.92Å; L503-A505 PolarHBondContact O-N 3.13Å; A505-E508 PolarHBondContact O-N 2.94Å; A505-H509 PolarHBondContact O-N 2.92Å; A505-V582 HydrophobicContact CB-CG2 3.6Å
506	A	98.4	Very high	95.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-43.7	170.7	0	0	0	0	0	111.6	T502 L503 R504 E508 H509 G510 L522 F580 V582 I583	T502-A506 PolarHBondContact O-N 3.49Å; L503-A506 WeakPolarHBondContact O-CB 3.39Å; L503-A506 PolarHBondContact O-N 3.27Å; R504-A506 VanDerWaalsContact C-N 3.29Å; R504-A506 PolarHBondContact O-N 2.91Å; A506-E508 VanDerWaalsContact C-N 3.34Å; A506-E508 PolarHBondContact O-N 3.38Å; A506-H509 PolarHBondContact O-N 3.35Å; A506-G510 PolarHBondContact O-N 3.05Å; A506-L522 HydrophobicContact CB-CD1 4.46Å; A506-F580 HydrophobicContact CB-CD1 4.21Å; A506-F580 HydrophobicContact CB-CE1 4.14Å; A506-F580 WeakPolarHBondContact O-CE1 3.46Å; A506-V582 HydrophobicContact CB-CG1 4.3Å; A506-I583 HydrophobicContact CB-CD1 4.01Å; A506-I583 HydrophobicContact CB-CG1 3.87Å
507	F	98.5	Very high	95.2	Very high	5 Å²	5	37 Å²	37	2%	0.022	20%	0.198	C	C	.	.	H	α-helix	trans	-66.1	-34.1	174.3	-80.1	-76.3	0	0	0	113.3	I459 L503 R504 A511 L522 V524 L527 V529 V541 L544	I459-F507 HydrophobicContact CG2-CE2 4.16Å; I459-F507 HydrophobicContact CG2-CZ 3.79Å; L503-F507 HydrophobicContact CD1-CD2 4.41Å; L503-F507 HydrophobicContact CD1-CE2 3.92Å; L503-F507 HydrophobicContact CG-CD2 4.33Å; L503-F507 HydrophobicContact CG-CE2 4.09Å; L503-F507 VanDerWaalsContact O-CD2 3.28Å; L503-F507 WeakPolarHBondContact O-CD2 3.31Å; L503-F507 PolarHBondContact O-N 3.06Å; L503-F507 VanDerWaalsContact O-N 3.13Å; R504-F507 PolarHBondContact O-N 3.45Å; R504-F507 VanDerWaalsContact O-N 3.16Å; F507-A511 WeakPolarHBondContact O-CB 3.31Å; F507-A511 PolarHBondContact O-N 3.23Å; F507-L522 HydrophobicContact CD1-CB 4.33Å; F507-L522 HydrophobicContact CD1-CD1 4.09Å; F507-L522 HydrophobicContact CE1-CB 3.91Å; F507-L522 HydrophobicContact CE1-CD1 4.08Å; F507-L522 HydrophobicContact CG-CD1 4.39Å; F507-L522 HydrophobicContact CZ-CD1 4.35Å; F507-V524 HydrophobicContact CE1-CG1 3.75Å; F507-V524 HydrophobicContact CZ-CG1 3.65Å; F507-L527 HydrophobicContact CE2-CD1 4.11Å; F507-L527 HydrophobicContact CZ-CD1 3.86Å; F507-V529 HydrophobicContact CD1-CB 4.4Å; F507-V529 HydrophobicContact CD1-CG1 4.26Å; F507-V529 HydrophobicContact CD1-CG2 3.96Å; F507-V529 HydrophobicContact CE1-CB 4.36Å; F507-V529 HydrophobicContact CE1-CG1 4.24Å; F507-V529 HydrophobicContact CE1-CG2 4.36Å; F507-V529 HydrophobicContact CG-CG2 4.14Å; F507-V541 HydrophobicContact CB-CG2 3.65Å; F507-L544 HydrophobicContact CD2-CD1 3.69Å; F507-L544 HydrophobicContact CD2-CD2 3.82Å; F507-L544 HydrophobicContact CD2-CG 4.42Å; F507-L544 HydrophobicContact CE2-CD1 3.58Å; F507-L544 HydrophobicContact CE2-CD2 4.24Å; F507-L544 HydrophobicContact CG-CD1 4.36Å; F507-L544 HydrophobicContact CZ-CD1 4.17Å
508	E	98.4	Very high	94.8	Very high	26 Å²	26	35.4 Å²	35.4	12%	0.121	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-43.9	171.4	-73.1	-66.2	173.9	0	0	111.6	R504 A505 A506 A511 H512 G538 R539 R540 V541	R504-E508 PolarHBondContact O-N 3.31Å; A505-E508 PolarHBondContact O-N 2.94Å; A506-E508 VanDerWaalsContact C-N 3.34Å; A506-E508 PolarHBondContact O-N 3.38Å; E508-A511 PolarHBondContact O-N 3.5Å; E508-H512 PolarHBondContact O-N 3.37Å; E508-G538 WeakPolarHBondContact OE2-CA 3.09Å; E508-R539 WeakPolarHBondContact OE1-CA 3.38Å; E508-R539 PolarHBondContact OE2-N 3Å; E508-R540 VanDerWaalsContact CD-N 3.34Å; E508-R540 PolarHBondContact OE1-N 2.86Å; E508-R540 VanDerWaalsContact OE1-N 3.11Å; E508-R540 PolarHBondContact OE2-N 3.46Å; E508-V541 HydrophobicContact CG-CB 4.39Å; E508-V541 HydrophobicContact CG-CG2 3.79Å; E508-V541 VanDerWaalsContact OE1-CB 3.3Å; E508-V541 WeakPolarHBondContact OE1-CB 3.41Å; E508-V541 WeakPolarHBondContact OE1-CG2 3.5Å; E508-V541 PolarHBondContact OE1-N 2.86Å
509	H	98.1	Very high	94.5	Very high	41 Å²	41	36 Å²	36	19%	0.19	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-49.8	175	-177.1	73.4	0	0	0	111.7	A505 A506 A511 H512 D578 G579 F580	A505-H509 PolarHBondContact O-N 2.92Å; A506-H509 PolarHBondContact O-N 3.35Å; H509-A511 PolarHBondContact O-N 2.85Å; H509-H512 AromaticContact CE1-CE1 3.93Å; H509-H512 WeakPolarHBondContact O-CB 3.22Å; H509-H512 PolarHBondContact O-N 2.93Å; H509-H512 PolarHBondContact O-ND1 3.2Å; H509-D578 PolarHBondContact NE2-O 2.86Å; H509-G579 PolarHBondContact CE1-O 3.27Å; H509-G579 PolarHBondContact NE2-O 3.39Å; H509-F580 HydrophobicContact CB-CD1 4.45Å; H509-F580 HydrophobicContact CB-CE1 4.25Å; H509-F580 AromaticContact CD2-CD1 3.62Å; H509-F580 AromaticContact CD2-CD2 3.79Å; H509-F580 AromaticContact CD2-CE1 3.62Å; H509-F580 AromaticContact CD2-CE2 3.79Å; H509-F580 AromaticContact CD2-CG 3.73Å; H509-F580 AromaticContact CD2-CZ 3.7Å
510	G	96.9	Very high	94.4	Very high	7 Å²	7	31.9 Å²	31.9	7%	0.072	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-21.3	179.2	0	0	0	0	0	113.9	A506 E520 F521	A506-G510 PolarHBondContact O-N 3.05Å; G510-E520 WeakPolarHBondContact CA-O 3.14Å; G510-F521 WeakPolarHBondContact O-CA 3.15Å
511	A	96.3	Very high	94.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-3.4	176	0	0	0	0	0	114.2	F507 E508 H509 R513 H514 L531 R540	F507-A511 WeakPolarHBondContact O-CB 3.31Å; F507-A511 PolarHBondContact O-N 3.23Å; E508-A511 PolarHBondContact O-N 3.5Å; H509-A511 PolarHBondContact O-N 2.85Å; A511-R513 PolarHBondContact O-N 2.06Å; A511-H514 WeakPolarHBondContact O-CB 3.31Å; A511-H514 PolarHBondContact O-N 3.11Å; A511-L531 HydrophobicContact CB-CD1 4.07Å; A511-L531 HydrophobicContact CB-CD2 4.15Å; A511-R540 HydrophobicContact CB-CB 4.27Å; A511-R540 VanDerWaalsContact O-CD 3.26Å; A511-R540 WeakPolarHBondContact O-CD 3.18Å; A511-R540 PolarHBondContact O-NH1 3.13Å
512	H	95.6	Very high	94.3	Very high	50 Å²	50	29.9 Å²	29.9	23%	0.231	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-37.5	-164.5	83.7	-70.2	0	0	0	114.2	E508 H509 E520 A537 R540	E508-H512 PolarHBondContact O-N 3.37Å; H509-H512 AromaticContact CE1-CE1 3.93Å; H509-H512 WeakPolarHBondContact O-CB 3.22Å; H509-H512 PolarHBondContact O-N 2.93Å; H509-H512 PolarHBondContact O-ND1 3.2Å; H512-E520 IonicContact CE1-OE1 2.7Å; H512-A537 HydrophobicContact CB-CB 4.15Å; H512-A537 WeakPolarHBondContact O-CB 3.14Å; H512-R540 PolarHBondContact O-NH1 3.35Å
513	R	91.5	Very high	94.3	Very high	105 Å²	105	29.2 Å²	29.2	40%	0.396	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	23.9	176	-78.6	-177.7	-49.3	172.5	5.6	112.8	E251 A511 G515 S516 E520	E251-R513 IonicContact OE1-NH1 3.79Å; E251-R513 PolarHBondContact OE1-NH1 3.26Å; E251-R513 IonicContact OE1-NH2 2.68Å; A511-R513 PolarHBondContact O-N 2.06Å; R513-G515 PolarHBondContact O-N 3.23Å; R513-S516 WeakPolarHBondContact O-CB 3.04Å; R513-S516 PolarHBondContact O-N 2.59Å; R513-S516 VanDerWaalsContact O-N 3.11Å; R513-S516 PolarHBondContact O-OG 2.95Å; R513-E520 IonicContact CZ-OE1 2.81Å; R513-E520 IonicContact NE-OE1 3.1Å; R513-E520 IonicContact NH2-OE1 2.68Å; R513-E520 PolarHBondContact NH2-OE1 3.39Å
514	H	92.4	Very high	94.4	Very high	52 Å²	52	29.2 Å²	29.2	24%	0.241	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.5	129.2	175.3	-177.8	-82.2	0	0	0	111.1	F426 A511 V533	F426-H514 PolarHBondContact O-NE2 3.09Å; A511-H514 WeakPolarHBondContact O-CB 3.31Å; A511-H514 PolarHBondContact O-N 3.11Å; H514-V533 HydrophobicContact CB-CG1 4Å
515	G	86.2	Confident	94.4	Very high	51 Å²	51	26.6 Å²	26.6	53%	0.526	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	114.8	-27.9	-169.5	0	0	0	0	0	114.1	R513 K517	R513-G515 PolarHBondContact O-N 3.23Å; G515-K517 PolarHBondContact O-N 2.76Å
516	S	81.4	Confident	94.4	Very high	60 Å²	60	25.1 Å²	25.1	42%	0.42	14%	0.144	S	C	.	.	S	Bend	trans	-86.1	5.1	-171.4	66.3	0	0	0	0	116.2	R513 A518	R513-S516 WeakPolarHBondContact O-CB 3.04Å; R513-S516 PolarHBondContact O-N 2.59Å; R513-S516 VanDerWaalsContact O-N 3.11Å; R513-S516 PolarHBondContact O-OG 2.95Å; S516-A518 PolarHBondContact O-N 2.83Å; S516-A518 VanDerWaalsContact O-N 3.12Å; S516-A518 VanDerWaalsContact OG-CB 3.27Å; S516-A518 WeakPolarHBondContact OG-CB 3.31Å
517	K	81.6	Confident	94.4	Very high	52 Å²	52	25.1 Å²	25.1	23%	0.226	14%	0.144	C	C	.	.			trans	59.1	10.9	-170.5	-54	171.9	179.8	166.7	0	115.1	E331 R425 F426 G515	E331-K517 IonicContact OE1-NZ 3.12Å; E331-K517 PolarHBondContact OE1-NZ 2.93Å; E331-K517 IonicContact OE2-NZ 3.57Å; E331-K517 PolarHBondContact OE2-NZ 3.26Å; R425-K517 WeakPolarHBondContact CD-O 3.32Å; R425-K517 PolarHBondContact NH1-O 3.43Å; F426-K517 HydrophobicContact CE2-CB 4.12Å; F426-K517 HydrophobicContact CE2-CG 3.76Å; F426-K517 HydrophobicContact CZ-CB 4.11Å; F426-K517 HydrophobicContact CZ-CG 3.51Å; G515-K517 PolarHBondContact O-N 2.76Å
518	A	87.7	Confident	94.4	Very high	26 Å²	26	31.2 Å²	31.2	22%	0.215	17%	0.167	C	C	.	.			trans	-68.5	161	179.6	0	0	0	0	0	112	S516 E520	S516-A518 PolarHBondContact O-N 2.83Å; S516-A518 VanDerWaalsContact O-N 3.12Å; S516-A518 VanDerWaalsContact OG-CB 3.27Å; S516-A518 WeakPolarHBondContact OG-CB 3.31Å; A518-E520 VanDerWaalsContact C-N 3.32Å; A518-E520 VanDerWaalsContact C-OE2 3.27Å; A518-E520 WeakPolarHBondContact CB-OE2 3.23Å; A518-E520 PolarHBondContact O-N 3.37Å
519	G	92.5	Very high	94.4	Very high	11 Å²	11	30.1 Å²	30.1	11%	0.113	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-10.8	-166.1	0	0	0	0	0	115.7	G462 G463 F521 D578	G462-G519 PolarHBondContact N-O 2.61Å; G463-G519 PolarHBondContact N-O 2.85Å; G519-F521 VanDerWaalsContact C-N 3.31Å; G519-F521 PolarHBondContact O-N 3.36Å; G519-D578 VanDerWaalsContact C-OD2 3.28Å
520	E	95.7	Very high	94.4	Very high	13 Å²	13	30 Å²	30	6%	0.061	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-14.3	-160	-47.9	94.2	145.4	0	0	114.1	G510 H512 R513 A518 L522 D578 F580	G510-E520 WeakPolarHBondContact CA-O 3.14Å; H512-E520 IonicContact CE1-OE1 2.7Å; R513-E520 IonicContact CZ-OE1 2.81Å; R513-E520 IonicContact NE-OE1 3.1Å; R513-E520 IonicContact NH2-OE1 2.68Å; R513-E520 PolarHBondContact NH2-OE1 3.39Å; A518-E520 VanDerWaalsContact C-N 3.32Å; A518-E520 VanDerWaalsContact C-OE2 3.27Å; A518-E520 WeakPolarHBondContact CB-OE2 3.23Å; A518-E520 PolarHBondContact O-N 3.37Å; E520-L522 PolarHBondContact O-N 3Å; E520-D578 HydrophobicContact CG-CB 3.94Å; E520-D578 WeakPolarHBondContact CG-O 3.48Å; E520-F580 HydrophobicContact CB-CE2 3.85Å; E520-F580 HydrophobicContact CB-CZ 4.17Å; E520-F580 HydrophobicContact CG-CE2 4.44Å; E520-F580 VanDerWaalsContact O-CZ 3.26Å; E520-F580 WeakPolarHBondContact O-CZ 3.39Å
521	F	97.8	Very high	94.5	Very high	5 Å²	5	29.9 Å²	29.9	2%	0.022	16%	0.162	C	C	.	.			trans	-61.1	125.2	-176.8	-173.2	-88.4	0	0	0	112	C424 R425 F426 Q427 N461 G462 G510 G519 L531 I618 V620	C424-F521 WeakPolarHBondContact O-CD1 3.42Å; R425-F521 WeakPolarHBondContact O-CB 3.46Å; F426-F521 WeakPolarHBondContact O-CE2 3.09Å; Q427-F521 VanDerWaalsContact C-CE1 3.43Å; Q427-F521 VanDerWaalsContact O-CE1 3.23Å; Q427-F521 WeakPolarHBondContact O-CE1 3.45Å; N461-F521 CarbonylContact C-O 3.55Å; G462-F521 PolarHBondContact N-O 3.46Å; G510-F521 WeakPolarHBondContact O-CA 3.15Å; G519-F521 VanDerWaalsContact C-N 3.31Å; G519-F521 PolarHBondContact O-N 3.36Å; F521-L531 HydrophobicContact CE2-CD1 3.87Å; F521-L531 HydrophobicContact CZ-CD1 4.47Å; F521-I618 HydrophobicContact CE1-CD1 3.97Å; F521-I618 HydrophobicContact CE1-CG2 4.39Å; F521-I618 HydrophobicContact CZ-CD1 4.36Å; F521-I618 HydrophobicContact CZ-CG2 3.69Å; F521-V620 HydrophobicContact CE2-CG2 4.23Å; F521-V620 HydrophobicContact CZ-CG2 4.26Å
522	L	98.5	Very high	94.5	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	116	-172.5	-63	178.2	0	0	0	112.7	I459 M460 N461 A506 F507 E520 L573 F580 I618	I459-L522 HydrophobicContact CB-CD1 4.36Å; I459-L522 HydrophobicContact CB-CD2 4.44Å; I459-L522 HydrophobicContact CD1-CD1 4.28Å; I459-L522 HydrophobicContact CG2-CD1 4.47Å; M460-L522 CarbonylContact O-C 3.54Å; M460-L522 WeakPolarHBondContact O-CA 3.35Å; N461-L522 HydrophobicContact CB-CD2 4.22Å; A506-L522 HydrophobicContact CB-CD1 4.46Å; F507-L522 HydrophobicContact CD1-CB 4.33Å; F507-L522 HydrophobicContact CD1-CD1 4.09Å; F507-L522 HydrophobicContact CE1-CB 3.91Å; F507-L522 HydrophobicContact CE1-CD1 4.08Å; F507-L522 HydrophobicContact CG-CD1 4.39Å; F507-L522 HydrophobicContact CZ-CD1 4.35Å; E520-L522 PolarHBondContact O-N 3Å; L522-L573 HydrophobicContact CD2-CD1 4Å; L522-F580 HydrophobicContact CD1-CE1 3.98Å; L522-F580 HydrophobicContact CD1-CZ 4.16Å; L522-F580 HydrophobicContact CD2-CE1 4.13Å; L522-F580 HydrophobicContact CD2-CE2 4.28Å; L522-F580 HydrophobicContact CD2-CZ 3.61Å; L522-F580 HydrophobicContact CG-CE1 4.25Å; L522-F580 HydrophobicContact CG-CZ 3.9Å; L522-I618 WeakPolarHBondContact O-CD1 3.49Å
523	Q	98.7	Very high	94.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	154.1	160.7	-55.4	-58.4	-40.9	0	0	110.2	C424 Q427 C429 I459 M460 I465	C424-Q523 PolarHBondContact O-NE2 2.89Å; Q427-Q523 PolarHBondContact O-NE2 2.94Å; C429-Q523 PolarHBondContact SG-OE1 3.44Å; I459-Q523 CarbonylContact C-O 3.59Å; I459-Q523 WeakPolarHBondContact CA-O 3.5Å; M460-Q523 HydrophobicContact CB-CB 4.31Å; M460-Q523 PolarHBondContact N-O 3.19Å; M460-Q523 PolarHBondContact O-N 2.92Å; I465-Q523 HydrophobicContact CD1-CG 4Å
524	V	98.8	Very high	94.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	158.2	-168	-54.4	0	0	0	0	114.8	C458 I459 F507 L527 R617 I618	C458-V524 VanDerWaalsContact O-CA 3.32Å; C458-V524 WeakPolarHBondContact O-CA 3.19Å; I459-V524 HydrophobicContact CG2-CG1 4.31Å; F507-V524 HydrophobicContact CE1-CG1 3.75Å; F507-V524 HydrophobicContact CZ-CG1 3.65Å; V524-L527 HydrophobicContact CB-CB 3.97Å; V524-L527 HydrophobicContact CB-CD1 4.21Å; V524-L527 HydrophobicContact CG1-CB 4.3Å; V524-L527 HydrophobicContact CG1-CD1 4.1Å; V524-L527 HydrophobicContact CG2-CB 4.06Å; V524-R617 HydrophobicContact CG2-CB 3.65Å; V524-R617 HydrophobicContact CG2-CG 4.49Å; V524-R617 WeakPolarHBondContact O-CD 3.22Å; V524-R617 PolarHBondContact O-NH1 2.97Å; V524-I618 HydrophobicContact CG1-CD1 4.47Å; V524-I618 HydrophobicContact CG2-CD1 4.21Å; V524-I618 HydrophobicContact CG2-CG1 3.94Å
525	S	98.6	Very high	94.8	Very high	12 Å²	12	29.1 Å²	29.1	8%	0.084	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150.4	157.1	-176.2	0	0	0	0	109.2	D437 A457 C458 L527 R617	D437-S525 WeakPolarHBondContact OD1-CB 3.41Å; D437-S525 PolarHBondContact OD1-OG 3.47Å; A457-S525 CarbonylContact C-O 3.56Å; A457-S525 VanDerWaalsContact CA-O 3.22Å; A457-S525 WeakPolarHBondContact CA-O 3.18Å; C458-S525 PolarHBondContact N-O 2.88Å; C458-S525 PolarHBondContact O-N 3.46Å; S525-L527 PolarHBondContact O-N 3.12Å; S525-L527 VanDerWaalsContact O-N 3.11Å; S525-R617 VanDerWaalsContact CB-NH1 3.35Å
526	G	98.1	Very high	95.2	Very high	5 Å²	5	31.1 Å²	31.1	5%	0.052	17%	0.172	C	C	.	.	S	Bend	trans	63.5	13.6	-178	0	0	0	0	0	115.4	S456 I546 L547 Y556	S456-G526 VanDerWaalsContact O-CA 3.31Å; S456-G526 WeakPolarHBondContact O-CA 3.37Å; G526-I546 WeakPolarHBondContact O-CA 3.44Å; G526-L547 PolarHBondContact O-N 2.97Å; G526-Y556 WeakPolarHBondContact O-CE1 3.47Å
527	L	98.6	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.4	177.6	-68.6	161.8	0	0	0	110.2	A457 I459 L503 F507 V524 S525 L544 S545 I546	A457-L527 HydrophobicContact CB-CD1 4.19Å; A457-L527 HydrophobicContact CB-CD2 4.41Å; A457-L527 HydrophobicContact CB-CG 3.95Å; I459-L527 HydrophobicContact CG2-CD1 3.64Å; L503-L527 HydrophobicContact CD2-CD2 4.23Å; F507-L527 HydrophobicContact CE2-CD1 4.11Å; F507-L527 HydrophobicContact CZ-CD1 3.86Å; V524-L527 HydrophobicContact CB-CB 3.97Å; V524-L527 HydrophobicContact CB-CD1 4.21Å; V524-L527 HydrophobicContact CG1-CB 4.3Å; V524-L527 HydrophobicContact CG1-CD1 4.1Å; V524-L527 HydrophobicContact CG2-CB 4.06Å; S525-L527 PolarHBondContact O-N 3.12Å; S525-L527 VanDerWaalsContact O-N 3.11Å; L527-L544 HydrophobicContact CD2-CD1 4.22Å; L527-S545 CarbonylContact C-O 3.53Å; L527-S545 WeakPolarHBondContact CA-O 3.49Å; L527-I546 HydrophobicContact CD2-CB 3.62Å; L527-I546 HydrophobicContact CD2-CD1 3.87Å; L527-I546 HydrophobicContact CD2-CG1 3.63Å; L527-I546 HydrophobicContact CG-CG1 4.43Å
528	R	98.6	Very high	96.4	Very high	134 Å²	134	30.8 Å²	30.8	51%	0.506	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.1	166.2	-74.9	-177.9	175.7	-175.3	-1.2	109	L544 S545 Y556 R617	R528-L544 WeakPolarHBondContact O-CA 3.45Å; R528-S545 PolarHBondContact N-O 2.79Å; R528-S545 PolarHBondContact O-N 3.31Å; R528-Y556 HydrophobicContact CB-CD1 4.32Å; R528-Y556 HydrophobicContact CB-CE1 4.35Å; R528-Y556 HydrophobicContact CG-CD1 4Å; R528-Y556 HydrophobicContact CG-CD2 4.49Å; R528-Y556 HydrophobicContact CG-CE1 3.74Å; R528-Y556 HydrophobicContact CG-CE2 4.27Å; R528-Y556 HydrophobicContact CG-CG 4.36Å; R528-R617 CarbonylContact C-O 3.55Å; R528-R617 WeakPolarHBondContact CA-O 3.41Å
529	V	98.4	Very high	96.9	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.7	179.8	92.1	0	0	0	0	111.2	F507 L531 V541 S543 L544 R617 I618 T619	F507-V529 HydrophobicContact CD1-CB 4.4Å; F507-V529 HydrophobicContact CD1-CG1 4.26Å; F507-V529 HydrophobicContact CD1-CG2 3.96Å; F507-V529 HydrophobicContact CE1-CB 4.36Å; F507-V529 HydrophobicContact CE1-CG1 4.24Å; F507-V529 HydrophobicContact CE1-CG2 4.36Å; F507-V529 HydrophobicContact CG-CG2 4.14Å; V529-L531 HydrophobicContact CG1-CD1 4.47Å; V529-L531 HydrophobicContact CG1-CG 4.14Å; V529-L531 HydrophobicContact CG2-CD2 4.3Å; V529-V541 HydrophobicContact CG2-CG1 4.26Å; V529-S543 WeakPolarHBondContact CA-O 3.33Å; V529-S543 WeakPolarHBondContact CG2-O 3.31Å; V529-L544 HydrophobicContact CB-CD1 4.05Å; V529-L544 HydrophobicContact CG2-CB 4.28Å; V529-L544 HydrophobicContact CG2-CD1 3.59Å; V529-R617 PolarHBondContact N-O 3.29Å; V529-I618 HydrophobicContact CG1-CB 4.15Å; V529-I618 HydrophobicContact CG1-CG1 4.02Å; V529-I618 HydrophobicContact CG1-CG2 3.67Å; V529-I618 WeakPolarHBondContact O-CA 3.24Å; V529-T619 PolarHBondContact O-N 3.43Å
530	V	98.5	Very high	97.1	Very high	37 Å²	37	39.5 Å²	39.5	22%	0.224	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.5	170.3	-177.6	0	0	0	0	107.4	R542 S543 T619 L621	V530-R542 HydrophobicContact CB-CB 4.15Å; V530-R542 HydrophobicContact CG1-CB 4.01Å; V530-R542 HydrophobicContact CG1-CG 4.48Å; V530-R542 WeakPolarHBondContact O-CB 3.12Å; V530-R542 PolarHBondContact O-N 2.97Å; V530-S543 WeakPolarHBondContact CB-OG 3.3Å; V530-S543 WeakPolarHBondContact CG2-OG 3.36Å; V530-S543 PolarHBondContact N-O 3.14Å; V530-S543 PolarHBondContact O-N 3.47Å; V530-T619 CarbonylContact C-O 3.57Å; V530-T619 WeakPolarHBondContact CA-O 3.49Å; V530-L621 HydrophobicContact CG1-CD1 3.8Å; V530-L621 HydrophobicContact CG1-CG 4.09Å
531	L	98	Very high	97.2	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.5	178.2	-60.7	174.9	0	0	0	109.4	A511 F521 V529 R540 V541 I618 T619 V620 L621	A511-L531 HydrophobicContact CB-CD1 4.07Å; A511-L531 HydrophobicContact CB-CD2 4.15Å; F521-L531 HydrophobicContact CE2-CD1 3.87Å; F521-L531 HydrophobicContact CZ-CD1 4.47Å; V529-L531 HydrophobicContact CG1-CD1 4.47Å; V529-L531 HydrophobicContact CG1-CG 4.14Å; V529-L531 HydrophobicContact CG2-CD2 4.3Å; L531-R540 CarbonylContact C-O 3.6Å; L531-R540 WeakPolarHBondContact CA-O 3.28Å; L531-V541 HydrophobicContact CD2-CG2 3.82Å; L531-I618 HydrophobicContact CD1-CG2 4.35Å; L531-T619 PolarHBondContact N-O 3.29Å; L531-V620 CarbonylContact O-C 3.39Å; L531-L621 PolarHBondContact O-N 2.86Å
532	D	97.4	Very high	97.3	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.027	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	95.8	172	179.6	-1.9	0	0	0	108.8	S534 R535 R540 R542 L621	D532-S534 PolarHBondContact O-N 2.92Å; D532-S534 WeakPolarHBondContact OD1-CB 3.41Å; D532-S534 PolarHBondContact OD1-N 3.1Å; D532-S534 PolarHBondContact OD1-OG 2.99Å; D532-R535 HydrophobicContact CB-CG 4.34Å; D532-R535 WeakPolarHBondContact O-CB 3.5Å; D532-R535 PolarHBondContact O-N 3.11Å; D532-R535 IonicContact OD2-NE 2.76Å; D532-R540 PolarHBondContact N-O 2.81Å; D532-R542 HydrophobicContact CB-CG 3.55Å; D532-R542 IonicContact OD2-CZ 2.94Å; D532-R542 IonicContact OD2-NE 3.23Å; D532-R542 PolarHBondContact OD2-NE 3.26Å; D532-R542 IonicContact OD2-NH2 2.82Å; D532-R542 PolarHBondContact OD2-NH2 3.17Å; D532-L621 HydrophobicContact CB-CB 4.41Å
533	V	94.5	Very high	97.2	Very high	27 Å²	27	47 Å²	47	16%	0.164	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.2	-175	-62.9	0	0	0	0	112.6	H514 R535 V620 L621	H514-V533 HydrophobicContact CB-CG1 4Å; V533-R535 PolarHBondContact O-N 2.98Å; V533-V620 HydrophobicContact CG1-CG1 3.78Å; V533-V620 HydrophobicContact CG2-CG1 3.92Å; V533-L621 VanDerWaalsContact CG2-O 3.29Å; V533-L621 WeakPolarHBondContact CG2-O 3.31Å; V533-L621 PolarHBondContact N-O 3.05Å
534	S	94.8	Very high	97.2	Very high	67 Å²	67	47.3 Å²	47.3	47%	0.469	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-15.2	169	78.6	0	0	0	0	112.8	D532	D532-S534 PolarHBondContact O-N 2.92Å; D532-S534 WeakPolarHBondContact OD1-CB 3.41Å; D532-S534 PolarHBondContact OD1-N 3.1Å; D532-S534 PolarHBondContact OD1-OG 2.99Å
535	R	95.5	Very high	97.2	Very high	92 Å²	92	48.6 Å²	48.6	35%	0.347	26%	0.258	S	S	.	.	S	Bend	trans	-84.1	155.6	177.5	-70.2	-176.3	162.8	-163.5	-10.7	112.6	D532 V533 R539 R540 R542	D532-R535 HydrophobicContact CB-CG 4.34Å; D532-R535 WeakPolarHBondContact O-CB 3.5Å; D532-R535 PolarHBondContact O-N 3.11Å; D532-R535 IonicContact OD2-NE 2.76Å; V533-R535 PolarHBondContact O-N 2.98Å; R535-R539 WeakPolarHBondContact CD-O 3.3Å; R535-R540 HydrophobicContact CB-CG 4.45Å; R535-R540 PolarHBondContact O-NE 3.42Å; R535-R542 VanDerWaalsContact CZ-NH1 3.34Å; R535-R542 VanDerWaalsContact CZ-NH2 3.29Å
536	P	95.4	Very high	97.2	Very high	93 Å²	93	48.3 Å²	48.3	60%	0.604	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-53.7	145.8	171.9	-24.7	34.3	0	0	0	111.9	G538 R539	P536-G538 PolarHBondContact O-N 3.33Å; P536-R539 PolarHBondContact O-N 3.13Å; P536-R539 VanDerWaalsContact O-N 3.07Å
537	A	94.4	Very high	97.2	Very high	58 Å²	58	49.6 Å²	49.6	48%	0.479	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	139.4	172.8	0	0	0	0	0	110.9	H512 R539	H512-A537 HydrophobicContact CB-CB 4.15Å; H512-A537 WeakPolarHBondContact O-CB 3.14Å; A537-R539 VanDerWaalsContact C-N 3.32Å
538	G	95	Very high	97	Very high	46 Å²	46	50.3 Å²	50.3	47%	0.474	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-1.2	-174.3	0	0	0	0	0	115.3	E508 P536	E508-G538 WeakPolarHBondContact OE2-CA 3.09Å; P536-G538 PolarHBondContact O-N 3.33Å
539	R	96.8	Very high	96.7	Very high	184 Å²	184	45.5 Å²	45.5	69%	0.694	25%	0.251	S	S	*	.			trans	-133.8	25.4	174	-51.4	-174.9	88	178.9	7.3	112.8	E508 R535 P536 A537	E508-R539 WeakPolarHBondContact OE1-CA 3.38Å; E508-R539 PolarHBondContact OE2-N 3Å; R535-R539 WeakPolarHBondContact CD-O 3.3Å; P536-R539 PolarHBondContact O-N 3.13Å; P536-R539 VanDerWaalsContact O-N 3.07Å; A537-R539 VanDerWaalsContact C-N 3.32Å
540	R	97.6	Very high	96.3	Very high	36 Å²	36	54.7 Å²	54.7	14%	0.136	29%	0.285	C	S	.	.			trans	-86.4	-21.5	-174.2	-66.5	-176.4	170.4	-179.4	-0.4	112.7	E508 A511 H512 L531 D532 R535 R542	E508-R540 VanDerWaalsContact CD-N 3.34Å; E508-R540 PolarHBondContact OE1-N 2.86Å; E508-R540 VanDerWaalsContact OE1-N 3.11Å; E508-R540 PolarHBondContact OE2-N 3.46Å; A511-R540 HydrophobicContact CB-CB 4.27Å; A511-R540 VanDerWaalsContact O-CD 3.26Å; A511-R540 WeakPolarHBondContact O-CD 3.18Å; A511-R540 PolarHBondContact O-NH1 3.13Å; H512-R540 PolarHBondContact O-NH1 3.35Å; L531-R540 CarbonylContact C-O 3.6Å; L531-R540 WeakPolarHBondContact CA-O 3.28Å; D532-R540 PolarHBondContact N-O 2.81Å; R535-R540 HydrophobicContact CB-CG 4.45Å; R535-R540 PolarHBondContact O-NE 3.42Å; R540-R542 PolarHBondContact O-N 3.03Å
541	V	98.2	Very high	95.9	Very high	14 Å²	14	53.9 Å²	53.9	9%	0.085	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	112.2	178.3	-178.9	0	0	0	0	110.2	R504 F507 E508 V529 L531 L544	R504-V541 HydrophobicContact CG-CG1 4.47Å; F507-V541 HydrophobicContact CB-CG2 3.65Å; E508-V541 HydrophobicContact CG-CB 4.39Å; E508-V541 HydrophobicContact CG-CG2 3.79Å; E508-V541 VanDerWaalsContact OE1-CB 3.3Å; E508-V541 WeakPolarHBondContact OE1-CB 3.41Å; E508-V541 WeakPolarHBondContact OE1-CG2 3.5Å; E508-V541 PolarHBondContact OE1-N 2.86Å; V529-V541 HydrophobicContact CG2-CG1 4.26Å; L531-V541 HydrophobicContact CD2-CG2 3.82Å; V541-L544 HydrophobicContact CG1-CB 4.12Å
542	R	98.1	Very high	95.5	Very high	118 Å²	118	65.2 Å²	65.2	45%	0.445	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-45.7	175.8	-71.7	-61.7	-161.2	139.9	-0	112.5	V530 D532 R535 R540	V530-R542 HydrophobicContact CB-CB 4.15Å; V530-R542 HydrophobicContact CG1-CB 4.01Å; V530-R542 HydrophobicContact CG1-CG 4.48Å; V530-R542 WeakPolarHBondContact O-CB 3.12Å; V530-R542 PolarHBondContact O-N 2.97Å; D532-R542 HydrophobicContact CB-CG 3.55Å; D532-R542 IonicContact OD2-CZ 2.94Å; D532-R542 IonicContact OD2-NE 3.23Å; D532-R542 PolarHBondContact OD2-NE 3.26Å; D532-R542 IonicContact OD2-NH2 2.82Å; D532-R542 PolarHBondContact OD2-NH2 3.17Å; R535-R542 VanDerWaalsContact CZ-NH1 3.34Å; R535-R542 VanDerWaalsContact CZ-NH2 3.29Å; R540-R542 PolarHBondContact O-N 3.03Å
543	S	98.3	Very high	95.3	Very high	51 Å²	51	70.3 Å²	70.3	36%	0.357	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	145	176.2	61	0	0	0	0	109.7	V529 V530	V529-S543 WeakPolarHBondContact CA-O 3.33Å; V529-S543 WeakPolarHBondContact CG2-O 3.31Å; V530-S543 WeakPolarHBondContact CB-OG 3.3Å; V530-S543 WeakPolarHBondContact CG2-OG 3.36Å; V530-S543 PolarHBondContact N-O 3.14Å; V530-S543 PolarHBondContact O-N 3.47Å
544	L	98.8	Very high	95.3	Very high	5 Å²	5	71.9 Å²	71.9	3%	0.026	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	119	175	178.2	66.2	0	0	0	107.5	L503 R504 F507 L527 R528 V529 V541 V559	L503-L544 HydrophobicContact CD2-CD2 4.29Å; L503-L544 HydrophobicContact CG-CD2 4.11Å; R504-L544 HydrophobicContact CB-CD2 4.34Å; F507-L544 HydrophobicContact CD2-CD1 3.69Å; F507-L544 HydrophobicContact CD2-CD2 3.82Å; F507-L544 HydrophobicContact CD2-CG 4.42Å; F507-L544 HydrophobicContact CE2-CD1 3.58Å; F507-L544 HydrophobicContact CE2-CD2 4.24Å; F507-L544 HydrophobicContact CG-CD1 4.36Å; F507-L544 HydrophobicContact CZ-CD1 4.17Å; L527-L544 HydrophobicContact CD2-CD1 4.22Å; R528-L544 WeakPolarHBondContact O-CA 3.45Å; V529-L544 HydrophobicContact CB-CD1 4.05Å; V529-L544 HydrophobicContact CG2-CB 4.28Å; V529-L544 HydrophobicContact CG2-CD1 3.59Å; V541-L544 HydrophobicContact CG1-CB 4.12Å; L544-V559 HydrophobicContact CD2-CB 4.06Å; L544-V559 HydrophobicContact CD2-CG1 4.17Å; L544-V559 HydrophobicContact CD2-CG2 3.95Å; L544-V559 HydrophobicContact CG-CB 4.07Å; L544-V559 HydrophobicContact CG-CG2 3.7Å; L544-V559 PolarHBondContact O-N 3.32Å
545	S	98.7	Very high	95.3	Very high	27 Å²	27	76.2 Å²	76.2	19%	0.189	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.8	178.2	-60.8	0	0	0	0	109.8	L527 R528 D557	L527-S545 CarbonylContact C-O 3.53Å; L527-S545 WeakPolarHBondContact CA-O 3.49Å; R528-S545 PolarHBondContact N-O 2.79Å; R528-S545 PolarHBondContact O-N 3.31Å; S545-D557 CarbonylContact C-O 3.58Å; S545-D557 VanDerWaalsContact CA-O 3.23Å; S545-D557 WeakPolarHBondContact CA-O 3.49Å; S545-D557 WeakPolarHBondContact CB-O 3.44Å
546	I	98.5	Very high	95.5	Very high	7 Å²	7	75.4 Å²	75.4	4%	0.036	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147	-178.3	-170.3	167	0	0	0	110	A457 L503 G526 L527 C548 Y556 D557 V559 Y565	A457-I546 HydrophobicContact CB-CD1 3.66Å; A457-I546 HydrophobicContact CB-CG1 3.91Å; L503-I546 HydrophobicContact CD2-CD1 4.47Å; G526-I546 WeakPolarHBondContact O-CA 3.44Å; L527-I546 HydrophobicContact CD2-CB 3.62Å; L527-I546 HydrophobicContact CD2-CD1 3.87Å; L527-I546 HydrophobicContact CD2-CG1 3.63Å; L527-I546 HydrophobicContact CG-CG1 4.43Å; I546-C548 PolarHBondContact O-N 2.7Å; I546-Y556 WeakPolarHBondContact O-CA 3.46Å; I546-D557 PolarHBondContact N-O 3.36Å; I546-D557 PolarHBondContact O-N 3.47Å; I546-V559 HydrophobicContact CB-CG2 3.84Å; I546-V559 HydrophobicContact CG2-CG2 3.66Å; I546-Y565 HydrophobicContact CD1-CD1 3.71Å; I546-Y565 HydrophobicContact CD1-CE1 4.45Å; I546-Y565 HydrophobicContact CD1-CG 4.18Å; I546-Y565 HydrophobicContact CG2-CD1 3.86Å; I546-Y565 HydrophobicContact CG2-CE1 3.48Å; I546-Y565 VanDerWaalsContact CG2-CE1 3.48Å
547	L	97.3	Very high	95.6	Very high	31 Å²	31	73.8 Å²	73.8	16%	0.162	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	120.4	176.2	-160.2	78.1	0	0	0	109.7	W452 S456 G526 P554 R555 Y556	W452-L547 HydrophobicContact CH2-CD2 3.95Å; W452-L547 HydrophobicContact CZ2-CD2 3.65Å; W452-L547 HydrophobicContact CZ2-CG 4.31Å; S456-L547 WeakPolarHBondContact CB-O 3.24Å; S456-L547 PolarHBondContact OG-O 3.03Å; G526-L547 PolarHBondContact O-N 2.97Å; L547-P554 HydrophobicContact CD1-CB 3.85Å; L547-P554 HydrophobicContact CD2-CB 3.74Å; L547-P554 HydrophobicContact CG-CB 3.73Å; L547-R555 WeakPolarHBondContact CA-O 3.26Å; L547-Y556 HydrophobicContact CB-CE1 4.43Å; L547-Y556 HydrophobicContact CD1-CD2 4.26Å; L547-Y556 HydrophobicContact CD1-CE1 4.45Å; L547-Y556 HydrophobicContact CD1-CE2 4.05Å
548	C	94.6	Very high	95.8	Very high	15 Å²	15	74.9 Å²	74.9	10%	0.101	36%	0.357	C	S	.	.			trans	-59.7	143.1	178.9	59.5	0	0	0	0	111	W452 I546 C551 R555	W452-C548 PolarHBondContact NE1-O 2.82Å; I546-C548 PolarHBondContact O-N 2.7Å; C548-C551 HydrophobicContact CB-CB 4Å; C548-C551 WeakPolarHBondContact CB-SG 3.38Å; C548-C551 PolarHBondContact O-SG 2.75Å; C548-C551 WeakPolarHBondContact SG-CB 3.28Å; C548-C551 CovalentContact SG-SG 2.04Å; C548-C551 PolarHBondContact SG-SG 2.88Å; C548-R555 PolarHBondContact N-O 2.93Å; C548-R555 VanDerWaalsContact SG-CG 3.56Å; C548-R555 PolarHBondContact SG-N 2.81Å; C548-R555 PolarHBondContact SG-O 3.33Å; C548-R555 VanDerWaalsContact SG-O 3.39Å
549	T	91.4	Very high	95.9	Very high	33 Å²	33	72.9 Å²	72.9	20%	0.202	34%	0.336	C	S	.	.	S	Bend	trans	-98.8	-38.3	170.8	49.6	0	0	0	0	112.2	Q451 W452 S453 C551	Q451-T549 VanDerWaalsContact CA-O 3.31Å; Q451-T549 WeakPolarHBondContact CA-O 3.45Å; W452-T549 PolarHBondContact N-O 2.9Å; S453-T549 WeakPolarHBondContact O-CB 3.15Å; S453-T549 VanDerWaalsContact O-CG2 3.28Å; S453-T549 WeakPolarHBondContact O-CG2 3.33Å; T549-C551 PolarHBondContact O-N 2.66Å
550	R	90.3	Very high	96	Very high	196 Å²	196	69.5 Å²	69.5	74%	0.74	33%	0.328	S	S	*	.	S	Bend	trans	-83.2	60.4	176.4	-69.2	177.3	-178.2	-171.9	0.3	111.9	Q451	Q451-R550 HydrophobicContact CG-CB 4.32Å; Q451-R550 HydrophobicContact CG-CG 3.46Å; Q451-R550 VanDerWaalsContact CG-CG 3.46Å
551	C	90.4	Very high	96	Very high	20 Å²	20	71.3 Å²	71.3	14%	0.135	34%	0.341	C	S	.	.	S	Bend	trans	-156.1	150.2	-179.4	56.1	0	0	0	0	109.6	W452 C548 T549	W452-C551 VanDerWaalsContact CD1-O 3.22Å; C548-C551 HydrophobicContact CB-CB 4Å; C548-C551 WeakPolarHBondContact CB-SG 3.38Å; C548-C551 PolarHBondContact O-SG 2.75Å; C548-C551 WeakPolarHBondContact SG-CB 3.28Å; C548-C551 CovalentContact SG-SG 2.04Å; C548-C551 PolarHBondContact SG-SG 2.88Å; T549-C551 PolarHBondContact O-N 2.66Å
552	R	89.3	Confident	96	Very high	244 Å²	244	76.9 Å²	76.9	92%	0.921	38%	0.375	S	S	*	.	S	Bend	trans	-77.7	-31.3	178.6	-68.7	-177	64.7	-166.1	-0.3	113.1
553	V	92.8	Very high	96	Very high	113 Å²	113	73 Å²	73	69%	0.685	37%	0.368	S	S	*	.	S	Bend	trans	-120	114.4	176.6	-178.8	0	0	0	0	107	R555	V553-R555 PolarHBondContact O-N 2.95Å
554	P	94.5	Very high	95.9	Very high	60 Å²	60	74.8 Å²	74.8	39%	0.39	37%	0.373	S	S	.	.			trans	-58.5	128.3	-179.6	-21.9	31.1	0	0	0	111.4	W452 L547	W452-P554 HydrophobicContact CD2-CG 3.98Å; W452-P554 HydrophobicContact CG-CG 4.21Å; W452-P554 HydrophobicContact CZ2-CB 4.17Å; W452-P554 HydrophobicContact CZ2-CG 4.12Å; L547-P554 HydrophobicContact CD1-CB 3.85Å; L547-P554 HydrophobicContact CD2-CB 3.74Å; L547-P554 HydrophobicContact CG-CB 3.73Å
555	R	96.5	Very high	95.8	Very high	157 Å²	157	76.2 Å²	76.2	59%	0.592	38%	0.378	S	S	*	.			trans	-142.1	157.8	176.7	63	173.9	-176.4	-126.4	-3.4	110.1	L547 C548 V553 D557	L547-R555 WeakPolarHBondContact CA-O 3.26Å; C548-R555 PolarHBondContact N-O 2.93Å; C548-R555 VanDerWaalsContact SG-CG 3.56Å; C548-R555 PolarHBondContact SG-N 2.81Å; C548-R555 PolarHBondContact SG-O 3.33Å; C548-R555 VanDerWaalsContact SG-O 3.39Å; V553-R555 PolarHBondContact O-N 2.95Å; R555-D557 IonicContact NE-OD1 2.88Å; R555-D557 PolarHBondContact NE-OD1 3.12Å; R555-D557 IonicContact NE-OD2 2.79Å; R555-D557 PolarHBondContact O-N 3.26Å
556	Y	98.3	Very high	95.6	Very high	75 Å²	75	76.9 Å²	76.9	29%	0.294	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	117.3	177.1	-74.2	-80.6	0	0	0	110.6	G526 R528 I546 L547	G526-Y556 WeakPolarHBondContact O-CE1 3.47Å; R528-Y556 HydrophobicContact CB-CD1 4.32Å; R528-Y556 HydrophobicContact CB-CE1 4.35Å; R528-Y556 HydrophobicContact CG-CD1 4Å; R528-Y556 HydrophobicContact CG-CD2 4.49Å; R528-Y556 HydrophobicContact CG-CE1 3.74Å; R528-Y556 HydrophobicContact CG-CE2 4.27Å; R528-Y556 HydrophobicContact CG-CG 4.36Å; I546-Y556 WeakPolarHBondContact O-CA 3.46Å; L547-Y556 HydrophobicContact CB-CE1 4.43Å; L547-Y556 HydrophobicContact CD1-CD2 4.26Å; L547-Y556 HydrophobicContact CD1-CE1 4.45Å; L547-Y556 HydrophobicContact CD1-CE2 4.05Å
557	D	98	Very high	95.5	Very high	59 Å²	59	76.5 Å²	76.5	32%	0.316	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	149.7	171.5	-67	-27.1	0	0	0	109.4	S545 I546 R555 V559	S545-D557 CarbonylContact C-O 3.58Å; S545-D557 VanDerWaalsContact CA-O 3.23Å; S545-D557 WeakPolarHBondContact CA-O 3.49Å; S545-D557 WeakPolarHBondContact CB-O 3.44Å; I546-D557 PolarHBondContact N-O 3.36Å; I546-D557 PolarHBondContact O-N 3.47Å; R555-D557 IonicContact NE-OD1 2.88Å; R555-D557 PolarHBondContact NE-OD1 3.12Å; R555-D557 IonicContact NE-OD2 2.79Å; R555-D557 PolarHBondContact O-N 3.26Å; D557-V559 PolarHBondContact O-N 3.26Å
558	P	98.4	Very high	95.6	Very high	81 Å²	81	75 Å²	75	53%	0.526	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	136.3	175	-22.7	33.4	0	0	0	111.9	Q560	P558-Q560 PolarHBondContact O-N 2.84Å; P558-Q560 VanDerWaalsContact O-N 3.15Å
559	V	98.4	Very high	95.7	Very high	4 Å²	4	74.3 Å²	74.3	2%	0.024	37%	0.367	C	S	.	.			trans	-65.8	115.6	173.7	171.3	0	0	0	0	109.4	L503 R504 L544 I546 D557 Y565	L503-V559 HydrophobicContact CD2-CG1 4.48Å; L503-V559 HydrophobicContact CD2-CG2 4.26Å; R504-V559 PolarHBondContact NH2-O 3.34Å; L544-V559 HydrophobicContact CD2-CB 4.06Å; L544-V559 HydrophobicContact CD2-CG1 4.17Å; L544-V559 HydrophobicContact CD2-CG2 3.95Å; L544-V559 HydrophobicContact CG-CB 4.07Å; L544-V559 HydrophobicContact CG-CG2 3.7Å; L544-V559 PolarHBondContact O-N 3.32Å; I546-V559 HydrophobicContact CB-CG2 3.84Å; I546-V559 HydrophobicContact CG2-CG2 3.66Å; D557-V559 PolarHBondContact O-N 3.26Å; V559-Y565 HydrophobicContact CG1-CD2 4.5Å; V559-Y565 HydrophobicContact CG1-CE2 3.81Å
560	Q	98.4	Very high	96	Very high	113 Å²	113	73.3 Å²	73.3	53%	0.528	36%	0.361	S	S	.	.			trans	-86.2	130.3	172.7	-57.4	-59.8	-23.5	0	0	111.1	G500 P558 T562 A563 Y565	G500-Q560 WeakPolarHBondContact CA-O 3.46Å; P558-Q560 PolarHBondContact O-N 2.84Å; P558-Q560 VanDerWaalsContact O-N 3.15Å; Q560-T562 VanDerWaalsContact C-N 3.32Å; Q560-T562 PolarHBondContact O-N 2.9Å; Q560-A563 HydrophobicContact CB-CB 3.93Å; Q560-A563 PolarHBondContact O-N 2.91Å; Q560-Y565 PolarHBondContact N-OH 3.02Å; Q560-Y565 WeakPolarHBondContact O-CE2 3.29Å; Q560-Y565 PolarHBondContact O-OH 3.28Å
561	D	97.8	Very high	96.1	Very high	75 Å²	75	65.5 Å²	65.5	40%	0.401	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-34.6	-169.9	-72.4	-5.4	0	0	0	113.6	G500 S501 R504	G500-D561 PolarHBondContact N-O 2.85Å; S501-D561 PolarHBondContact N-O 3.09Å; R504-D561 IonicContact CZ-OD1 3.95Å; R504-D561 IonicContact NE-OD1 2.95Å; R504-D561 PolarHBondContact NE-OD1 2.87Å; R504-D561 VanDerWaalsContact NE-OD1 3.08Å; R504-D561 IonicContact NH2-OD1 3.88Å; R504-D561 PolarHBondContact NH2-OD1 2.9Å; R504-D561 VanDerWaalsContact NH2-OD1 3.12Å
562	T	97.7	Very high	96.2	Very high	131 Å²	131	67.9 Å²	67.9	80%	0.804	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-15.8	-179	55.4	0	0	0	0	113.9	Q560	Q560-T562 VanDerWaalsContact C-N 3.32Å; Q560-T562 PolarHBondContact O-N 2.9Å
563	A	97.5	Very high	96.6	Very high	36 Å²	36	56.2 Å²	56.2	30%	0.298	30%	0.299	S	S	.	.	S	Bend	trans	-74.3	154.8	179.5	0	0	0	0	0	111.3	K499 G500 Q560 Y565	K499-A563 CarbonylContact C-O 3.59Å; K499-A563 WeakPolarHBondContact CA-O 3.13Å; G500-A563 PolarHBondContact N-O 2.98Å; Q560-A563 HydrophobicContact CB-CB 3.93Å; Q560-A563 PolarHBondContact O-N 2.91Å; A563-Y565 HydrophobicContact CB-CE2 3.83Å; A563-Y565 WeakPolarHBondContact CB-OH 3.34Å; A563-Y565 WeakPolarHBondContact O-CE2 3.04Å
564	L	96.6	Very high	96.6	Very high	89 Å²	89	51.5 Å²	51.5	47%	0.466	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.5	178.8	-58.8	-176	0	0	0	110.3	Q497 L498 K499 L588	Q497-L564 HydrophobicContact CG-CB 4.18Å; L498-L564 WeakPolarHBondContact O-CA 3.4Å; K499-L564 HydrophobicContact CG-CD2 3.85Å; L564-L588 HydrophobicContact CD2-CD1 3.45Å; L564-L588 VanDerWaalsContact CD2-CD1 3.45Å
565	Y	96.6	Very high	96.3	Very high	34 Å²	34	53 Å²	53	13%	0.133	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.5	179	-57.1	-82.2	0	0	0	109.8	Q497 L498 I546 V559 Q560 A563	Q497-Y565 WeakPolarHBondContact CA-O 3.29Å; L498-Y565 PolarHBondContact N-O 3.46Å; L498-Y565 PolarHBondContact O-N 3.22Å; I546-Y565 HydrophobicContact CD1-CD1 3.71Å; I546-Y565 HydrophobicContact CD1-CE1 4.45Å; I546-Y565 HydrophobicContact CD1-CG 4.18Å; I546-Y565 HydrophobicContact CG2-CD1 3.86Å; I546-Y565 HydrophobicContact CG2-CE1 3.48Å; I546-Y565 VanDerWaalsContact CG2-CE1 3.48Å; V559-Y565 HydrophobicContact CG1-CD2 4.5Å; V559-Y565 HydrophobicContact CG1-CE2 3.81Å; Q560-Y565 PolarHBondContact N-OH 3.02Å; Q560-Y565 WeakPolarHBondContact O-CE2 3.29Å; Q560-Y565 PolarHBondContact O-OH 3.28Å; A563-Y565 HydrophobicContact CB-CE2 3.83Å; A563-Y565 WeakPolarHBondContact CB-OH 3.34Å; A563-Y565 WeakPolarHBondContact O-CE2 3.04Å
566	T	94.2	Very high	96	Very high	41 Å²	41	45.9 Å²	45.9	25%	0.252	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	122	168.5	-52.4	0	0	0	0	108.2	H454 V455 L495 V496	H454-T566 WeakPolarHBondContact O-CB 3.37Å; H454-T566 PolarHBondContact O-OG1 2.04Å; V455-T566 HydrophobicContact CB-CG2 4.32Å; V455-T566 HydrophobicContact CG2-CG2 4.39Å; L495-T566 HydrophobicContact CD2-CG2 3.95Å; V496-T566 CarbonylContact O-C 3.52Å; V496-T566 VanDerWaalsContact O-CA 3.29Å; V496-T566 WeakPolarHBondContact O-CA 3.48Å
567	V	97.5	Very high	95.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.1	-176.1	-174.1	0	0	0	0	109	I459 V496 L503	I459-V567 HydrophobicContact CG1-CG1 4.14Å; I459-V567 HydrophobicContact CG2-CG1 4.29Å; V496-V567 PolarHBondContact N-O 3.38Å; V496-V567 PolarHBondContact O-N 3.42Å; L503-V567 HydrophobicContact CD1-CG2 4.45Å
568	V	97.7	Very high	95.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.4	170.3	-160	0	0	0	0	109.5	M439 Y443 V455 A457 C458 I459 F493 D494 L495	M439-V568 HydrophobicContact CB-CB 4.24Å; M439-V568 HydrophobicContact CB-CG1 3.99Å; M439-V568 HydrophobicContact CE-CB 4.02Å; M439-V568 HydrophobicContact CE-CG1 3.66Å; M439-V568 HydrophobicContact CG-CG1 4.43Å; Y443-V568 HydrophobicContact CD2-CB 4.47Å; Y443-V568 HydrophobicContact CD2-CG1 3.78Å; Y443-V568 HydrophobicContact CD2-CG2 3.75Å; Y443-V568 HydrophobicContact CE2-CG1 3.61Å; Y443-V568 HydrophobicContact CE2-CG2 4.42Å; V455-V568 HydrophobicContact CG2-CG2 3.58Å; A457-V568 PolarHBondContact O-N 3.14Å; C458-V568 VanDerWaalsContact CA-O 3.25Å; C458-V568 WeakPolarHBondContact CA-O 3.31Å; C458-V568 HydrophobicContact CB-CB 4.48Å; I459-V568 PolarHBondContact N-O 3.48Å; F493-V568 HydrophobicContact CB-CG1 4.03Å; D494-V568 CarbonylContact O-C 3.54Å; D494-V568 VanDerWaalsContact O-CA 3.29Å; D494-V568 WeakPolarHBondContact O-CA 3.42Å; D494-V568 WeakPolarHBondContact O-CG1 3.32Å; L495-V568 HydrophobicContact CD2-CG2 3.78Å
569	L	98.1	Very high	95.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	161.8	174.6	72.7	165.7	0	0	0	111.7	I459 F493 D494 V496 L573 V574 I583	I459-L569 HydrophobicContact CD1-CB 4.3Å; I459-L569 HydrophobicContact CD1-CD1 4.28Å; I459-L569 HydrophobicContact CG1-CB 3.64Å; I459-L569 WeakPolarHBondContact O-CA 3.45Å; F493-L569 CarbonylContact C-O 3.44Å; D494-L569 PolarHBondContact N-O 3.39Å; D494-L569 PolarHBondContact O-N 3.34Å; V496-L569 HydrophobicContact CB-CD2 3.93Å; V496-L569 HydrophobicContact CG1-CD2 3.57Å; V496-L569 HydrophobicContact CG2-CD2 3.16Å; L569-L573 HydrophobicContact CB-CD1 4.49Å; L569-L573 HydrophobicContact CD1-CB 3.48Å; L569-L573 VanDerWaalsContact CD1-CB 3.48Å; L569-L573 HydrophobicContact CD1-CD1 4.36Å; L569-L573 HydrophobicContact CG-CB 4.28Å; L569-V574 HydrophobicContact CD1-CG2 4.28Å; L569-V574 HydrophobicContact CD2-CG2 4.2Å; L569-V574 HydrophobicContact CG-CG2 4.06Å; L569-I583 HydrophobicContact CD1-CD1 4.05Å; L569-I583 HydrophobicContact CD1-CG2 3.71Å
570	P	97.8	Very high	95	Very high	12 Å²	12	37.7 Å²	37.7	8%	0.078	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	144.2	173.6	-22.8	33.9	0	0	0	112.7	I459 M460 T492 F493 Y572 L573 V574	I459-P570 VanDerWaalsContact O-CD 3.31Å; I459-P570 WeakPolarHBondContact O-CD 3.5Å; M460-P570 HydrophobicContact CE-CG 4.34Å; M460-P570 HydrophobicContact SD-CG 3.23Å; M460-P570 WeakPolarHBondContact SD-CG 3.31Å; T492-P570 CarbonylContact O-C 3.54Å; T492-P570 WeakPolarHBondContact O-CA 3.26Å; F493-P570 HydrophobicContact CD1-CG 4.37Å; F493-P570 HydrophobicContact CE1-CG 4.3Å; P570-Y572 PolarHBondContact O-N 2.69Å; P570-Y572 VanDerWaalsContact O-N 3.13Å; P570-L573 PolarHBondContact O-N 2.96Å; P570-V574 PolarHBondContact O-N 2.81Å
571	S	91.8	Very high	94.9	Very high	32 Å²	32	36.4 Å²	36.4	22%	0.224	22%	0.215	C	C	.	.	H	α-helix	trans	-55.3	-29.3	172.9	57.9	0	0	0	0	112.9	T492 L573 V574 T575	T492-S571 PolarHBondContact N-OG 2.77Å; T492-S571 PolarHBondContact O-N 2.89Å; T492-S571 WeakPolarHBondContact OG1-CB 3.33Å; S571-L573 VanDerWaalsContact C-N 3.32Å; S571-L573 PolarHBondContact O-N 2.7Å; S571-V574 WeakPolarHBondContact O-CB 3.42Å; S571-V574 PolarHBondContact O-N 3.17Å; S571-V574 VanDerWaalsContact O-N 3.16Å; S571-T575 PolarHBondContact O-N 3.33Å; S571-T575 PolarHBondContact O-OG1 2.96Å
572	Y	92.9	Very high	94.8	Very high	69 Å²	69	35.2 Å²	35.2	27%	0.271	21%	0.21	S	C	.	.	H	α-helix	trans	-56.7	-40.8	171.5	178.1	-106.9	0	0	0	113.2	A254 P570 T575 G577 D578	A254-Y572 PolarHBondContact O-OH 2.81Å; P570-Y572 PolarHBondContact O-N 2.69Å; P570-Y572 VanDerWaalsContact O-N 3.13Å; Y572-T575 PolarHBondContact O-OG1 3.02Å; Y572-T575 VanDerWaalsContact O-OG1 3.09Å; Y572-G577 WeakPolarHBondContact O-CA 3.33Å; Y572-G577 PolarHBondContact O-N 2.94Å; Y572-D578 HydrophobicContact CE1-CB 3.89Å; Y572-D578 WeakPolarHBondContact CE1-OD1 3.35Å; Y572-D578 PolarHBondContact OH-N 2.94Å; Y572-D578 PolarHBondContact OH-OD1 3.41Å
573	L	96.9	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-76.9	-27.9	177.1	-64.5	-170.5	0	0	0	112.4	N461 L522 L569 P570 S571 T575 G576 F580 I583	N461-L573 HydrophobicContact CB-CD1 4.22Å; N461-L573 HydrophobicContact CB-CD2 4.02Å; L522-L573 HydrophobicContact CD2-CD1 4Å; L569-L573 HydrophobicContact CB-CD1 4.49Å; L569-L573 HydrophobicContact CD1-CB 3.48Å; L569-L573 VanDerWaalsContact CD1-CB 3.48Å; L569-L573 HydrophobicContact CD1-CD1 4.36Å; L569-L573 HydrophobicContact CG-CB 4.28Å; P570-L573 PolarHBondContact O-N 2.96Å; S571-L573 VanDerWaalsContact C-N 3.32Å; S571-L573 PolarHBondContact O-N 2.7Å; L573-T575 VanDerWaalsContact C-N 3.3Å; L573-T575 PolarHBondContact O-N 3.36Å; L573-G576 PolarHBondContact O-N 2.99Å; L573-F580 HydrophobicContact CD2-CB 4.41Å; L573-F580 HydrophobicContact CD2-CD2 3.49Å; L573-F580 VanDerWaalsContact CD2-CD2 3.49Å; L573-F580 HydrophobicContact CD2-CE2 3.9Å; L573-F580 HydrophobicContact CD2-CG 4.09Å; L573-I583 HydrophobicContact CB-CD1 4.35Å
574	V	92.6	Very high	94.7	Very high	14 Å²	14	32.3 Å²	32.3	9%	0.085	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-40.1	175.2	176.6	0	0	0	0	110.9	D494 V496 L569 P570 S571 G576 I587	D494-V574 HydrophobicContact CB-CG2 3.95Å; V496-V574 HydrophobicContact CG1-CG2 4.04Å; L569-V574 HydrophobicContact CD1-CG2 4.28Å; L569-V574 HydrophobicContact CD2-CG2 4.2Å; L569-V574 HydrophobicContact CG-CG2 4.06Å; P570-V574 PolarHBondContact O-N 2.81Å; S571-V574 WeakPolarHBondContact O-CB 3.42Å; S571-V574 PolarHBondContact O-N 3.17Å; S571-V574 VanDerWaalsContact O-N 3.16Å; V574-G576 VanDerWaalsContact C-N 3.26Å; V574-G576 PolarHBondContact O-N 3.03Å; V574-I587 HydrophobicContact CB-CD1 4.38Å; V574-I587 HydrophobicContact CG1-CD1 3.76Å
575	T	88.6	Confident	94.7	Very high	91 Å²	91	34.3 Å²	34.3	56%	0.558	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.1	-179.3	57.9	0	0	0	0	113.8	S571 Y572 L573 K584	S571-T575 PolarHBondContact O-N 3.33Å; S571-T575 PolarHBondContact O-OG1 2.96Å; Y572-T575 PolarHBondContact O-OG1 3.02Å; Y572-T575 VanDerWaalsContact O-OG1 3.09Å; L573-T575 VanDerWaalsContact C-N 3.3Å; L573-T575 PolarHBondContact O-N 3.36Å; T575-K584 WeakPolarHBondContact O-CD 3.31Å; T575-K584 PolarHBondContact O-NZ 2.91Å
576	G	91.3	Very high	94.7	Very high	7 Å²	7	33.3 Å²	33.3	7%	0.072	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	16	179.7	0	0	0	0	0	114.7	L573 V574 G579 F580	L573-G576 PolarHBondContact O-N 2.99Å; V574-G576 VanDerWaalsContact C-N 3.26Å; V574-G576 PolarHBondContact O-N 3.03Å; G576-G579 CarbonylContact O-C 3.52Å; G576-G579 PolarHBondContact O-N 3.15Å; G576-F580 PolarHBondContact O-N 3.34Å
577	G	89.6	Confident	94.9	Very high	7 Å²	7	33.2 Å²	33.2	7%	0.072	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-53.1	156.1	173.5	0	0	0	0	0	112.2	Y572 G579 F580	Y572-G577 WeakPolarHBondContact O-CA 3.33Å; Y572-G577 PolarHBondContact O-N 2.94Å; G577-G579 PolarHBondContact O-N 3.37Å; G577-G579 VanDerWaalsContact O-N 3.08Å; G577-F580 WeakPolarHBondContact O-CB 3.04Å; G577-F580 WeakPolarHBondContact O-CD2 3.46Å; G577-F580 PolarHBondContact O-N 3Å; G577-F580 VanDerWaalsContact O-N 3.1Å
578	D	91.6	Very high	94.8	Very high	16 Å²	16	37.8 Å²	37.8	9%	0.086	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	56.6	21.6	-173	-83.2	4.6	0	0	0	113	A254 N461 H509 G519 E520 Y572 F580	A254-D578 PolarHBondContact O-N 3.44Å; N461-D578 PolarHBondContact ND2-OD2 3Å; H509-D578 PolarHBondContact NE2-O 2.86Å; G519-D578 VanDerWaalsContact C-OD2 3.28Å; E520-D578 HydrophobicContact CG-CB 3.94Å; E520-D578 WeakPolarHBondContact CG-O 3.48Å; Y572-D578 HydrophobicContact CE1-CB 3.89Å; Y572-D578 WeakPolarHBondContact CE1-OD1 3.35Å; Y572-D578 PolarHBondContact OH-N 2.94Å; Y572-D578 PolarHBondContact OH-OD1 3.41Å; D578-F580 VanDerWaalsContact C-N 3.31Å; D578-F580 HydrophobicContact CB-CD2 3.74Å; D578-F580 HydrophobicContact CB-CE2 3.92Å; D578-F580 PolarHBondContact O-N 3.47Å
579	G	92.9	Very high	94.4	Very high	25 Å²	25	44.2 Å²	44.2	26%	0.258	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	75.7	12.5	-178.7	0	0	0	0	0	114.7	H509 G576 G577 N581	H509-G579 PolarHBondContact CE1-O 3.27Å; H509-G579 PolarHBondContact NE2-O 3.39Å; G576-G579 CarbonylContact O-C 3.52Å; G576-G579 PolarHBondContact O-N 3.15Å; G577-G579 PolarHBondContact O-N 3.37Å; G577-G579 VanDerWaalsContact O-N 3.08Å; G579-N581 PolarHBondContact O-N 3.05Å
580	F	96.8	Very high	94.2	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.			trans	-72.4	45.1	177.5	-77.3	-87	0	0	0	113.6	A506 H509 E520 L522 L573 G576 G577 D578 V582 I583 K584	A506-F580 HydrophobicContact CB-CD1 4.21Å; A506-F580 HydrophobicContact CB-CE1 4.14Å; A506-F580 WeakPolarHBondContact O-CE1 3.46Å; H509-F580 HydrophobicContact CB-CD1 4.45Å; H509-F580 HydrophobicContact CB-CE1 4.25Å; H509-F580 AromaticContact CD2-CD1 3.62Å; H509-F580 AromaticContact CD2-CD2 3.79Å; H509-F580 AromaticContact CD2-CE1 3.62Å; H509-F580 AromaticContact CD2-CE2 3.79Å; H509-F580 AromaticContact CD2-CG 3.73Å; H509-F580 AromaticContact CD2-CZ 3.7Å; E520-F580 HydrophobicContact CB-CE2 3.85Å; E520-F580 HydrophobicContact CB-CZ 4.17Å; E520-F580 HydrophobicContact CG-CE2 4.44Å; E520-F580 VanDerWaalsContact O-CZ 3.26Å; E520-F580 WeakPolarHBondContact O-CZ 3.39Å; L522-F580 HydrophobicContact CD1-CE1 3.98Å; L522-F580 HydrophobicContact CD1-CZ 4.16Å; L522-F580 HydrophobicContact CD2-CE1 4.13Å; L522-F580 HydrophobicContact CD2-CE2 4.28Å; L522-F580 HydrophobicContact CD2-CZ 3.61Å; L522-F580 HydrophobicContact CG-CE1 4.25Å; L522-F580 HydrophobicContact CG-CZ 3.9Å; L573-F580 HydrophobicContact CD2-CB 4.41Å; L573-F580 HydrophobicContact CD2-CD2 3.49Å; L573-F580 VanDerWaalsContact CD2-CD2 3.49Å; L573-F580 HydrophobicContact CD2-CE2 3.9Å; L573-F580 HydrophobicContact CD2-CG 4.09Å; G576-F580 PolarHBondContact O-N 3.34Å; G577-F580 WeakPolarHBondContact O-CB 3.04Å; G577-F580 WeakPolarHBondContact O-CD2 3.46Å; G577-F580 PolarHBondContact O-N 3Å; G577-F580 VanDerWaalsContact O-N 3.1Å; D578-F580 VanDerWaalsContact C-N 3.31Å; D578-F580 HydrophobicContact CB-CD2 3.74Å; D578-F580 HydrophobicContact CB-CE2 3.92Å; D578-F580 PolarHBondContact O-N 3.47Å; F580-V582 PolarHBondContact O-N 3.32Å; F580-V582 VanDerWaalsContact O-N 3.1Å; F580-I583 HydrophobicContact CB-CB 4.29Å; F580-I583 HydrophobicContact CB-CD1 3.95Å; F580-I583 HydrophobicContact CB-CG1 4.16Å; F580-I583 HydrophobicContact CD1-CD1 3.52Å; F580-I583 HydrophobicContact CD1-CG1 3.99Å; F580-I583 HydrophobicContact CE1-CD1 4.24Å; F580-I583 HydrophobicContact CG-CD1 3.96Å; F580-I583 HydrophobicContact CG-CG1 4.5Å; F580-I583 WeakPolarHBondContact O-CB 3.24Å; F580-I583 PolarHBondContact O-N 3.19Å; F580-K584 PolarHBondContact O-N 3.5Å
581	N	95.6	Very high	93.5	Very high	86 Å²	86	50 Å²	50	46%	0.46	27%	0.272	S	S	.	.	H	α-helix	trans	-55.8	-28.6	173.4	-71.7	-47.1	0	0	0	112.2	G579 I583 K584 N585	G579-N581 PolarHBondContact O-N 3.05Å; N581-I583 VanDerWaalsContact C-N 3.29Å; N581-I583 PolarHBondContact O-N 3.02Å; N581-K584 PolarHBondContact O-N 2.85Å; N581-N585 VanDerWaalsContact O-CB 3.24Å; N581-N585 WeakPolarHBondContact O-CB 3.42Å; N581-N585 PolarHBondContact O-N 3.48Å; N581-N585 PolarHBondContact O-ND2 3.48Å
582	V	96.8	Very high	93	Very high	49 Å²	49	54.8 Å²	54.8	30%	0.297	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-36.1	173.9	68.2	0	0	0	0	112.6	T502 A505 A506 F580 G586	T502-V582 HydrophobicContact CG2-CG2 4.26Å; T502-V582 WeakPolarHBondContact CG2-O 3.39Å; A505-V582 HydrophobicContact CB-CG2 3.6Å; A506-V582 HydrophobicContact CB-CG1 4.3Å; F580-V582 PolarHBondContact O-N 3.32Å; F580-V582 VanDerWaalsContact O-N 3.1Å; V582-G586 PolarHBondContact O-N 3.01Å; V582-G586 VanDerWaalsContact O-N 3.14Å
583	I	97.7	Very high	92.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-70.2	-58.8	173.2	-64.3	179.6	0	0	0	108.4	I459 A506 L569 L573 F580 N581 N585 G586 I587	I459-I583 HydrophobicContact CD1-CD1 3.89Å; A506-I583 HydrophobicContact CB-CD1 4.01Å; A506-I583 HydrophobicContact CB-CG1 3.87Å; L569-I583 HydrophobicContact CD1-CD1 4.05Å; L569-I583 HydrophobicContact CD1-CG2 3.71Å; L573-I583 HydrophobicContact CB-CD1 4.35Å; F580-I583 HydrophobicContact CB-CB 4.29Å; F580-I583 HydrophobicContact CB-CD1 3.95Å; F580-I583 HydrophobicContact CB-CG1 4.16Å; F580-I583 HydrophobicContact CD1-CD1 3.52Å; F580-I583 HydrophobicContact CD1-CG1 3.99Å; F580-I583 HydrophobicContact CE1-CD1 4.24Å; F580-I583 HydrophobicContact CG-CD1 3.96Å; F580-I583 HydrophobicContact CG-CG1 4.5Å; F580-I583 WeakPolarHBondContact O-CB 3.24Å; F580-I583 PolarHBondContact O-N 3.19Å; N581-I583 VanDerWaalsContact C-N 3.29Å; N581-I583 PolarHBondContact O-N 3.02Å; I583-N585 VanDerWaalsContact C-N 3.26Å; I583-N585 PolarHBondContact O-N 3.36Å; I583-N585 VanDerWaalsContact O-N 3.14Å; I583-G586 CarbonylContact O-C 3.44Å; I583-G586 PolarHBondContact O-N 3.13Å; I583-I587 HydrophobicContact CG2-CD1 4.18Å; I583-I587 HydrophobicContact CG2-CG1 4.29Å; I583-I587 WeakPolarHBondContact O-CG1 3.31Å; I583-I587 PolarHBondContact O-N 2.99Å
584	K	95.3	Very high	91.9	Very high	106 Å²	106	57 Å²	57	46%	0.461	31%	0.311	S	S	.	.	H	α-helix	trans	-45.8	-49.7	-179.2	-176.6	-172.2	-170.1	160.7	0	112.8	T575 F580 N581	T575-K584 WeakPolarHBondContact O-CD 3.31Å; T575-K584 PolarHBondContact O-NZ 2.91Å; F580-K584 PolarHBondContact O-N 3.5Å; N581-K584 PolarHBondContact O-N 2.85Å
585	N	97	Very high	91.5	Very high	131 Å²	131	59.6 Å²	59.6	70%	0.701	32%	0.324	S	S	*	.	H	α-helix	trans	-79.6	-18.9	-176.9	-61.9	-19.5	0	0	0	113.2	N581 I583	N581-N585 VanDerWaalsContact O-CB 3.24Å; N581-N585 WeakPolarHBondContact O-CB 3.42Å; N581-N585 PolarHBondContact O-N 3.48Å; N581-N585 PolarHBondContact O-ND2 3.48Å; I583-N585 VanDerWaalsContact C-N 3.26Å; I583-N585 PolarHBondContact O-N 3.36Å; I583-N585 VanDerWaalsContact O-N 3.14Å
586	G	96.4	Very high	91.7	Very high	14 Å²	14	55.7 Å²	55.7	14%	0.144	30%	0.3	C	S	.	.	H	α-helix	trans	-99.8	-2.6	-176.6	0	0	0	0	0	114.9	L498 V582 I583 L588	L498-G586 WeakPolarHBondContact CD2-O 3.3Å; V582-G586 PolarHBondContact O-N 3.01Å; V582-G586 VanDerWaalsContact O-N 3.14Å; I583-G586 CarbonylContact O-C 3.44Å; I583-G586 PolarHBondContact O-N 3.13Å; G586-L588 PolarHBondContact O-N 3.06Å
587	I	96.9	Very high	91.7	Very high	39 Å²	39	55.7 Å²	55.7	20%	0.2	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	123.9	173.9	-74.4	163.4	0	0	0	109.9	V496 L498 V574 I583 H590	V496-I587 HydrophobicContact CB-CG1 4.17Å; V496-I587 HydrophobicContact CG1-CD1 4Å; V496-I587 HydrophobicContact CG1-CG1 4.01Å; L498-I587 HydrophobicContact CD2-CB 4.45Å; L498-I587 HydrophobicContact CD2-CG1 3.84Å; V574-I587 HydrophobicContact CB-CD1 4.38Å; V574-I587 HydrophobicContact CG1-CD1 3.76Å; I583-I587 HydrophobicContact CG2-CD1 4.18Å; I583-I587 HydrophobicContact CG2-CG1 4.29Å; I583-I587 WeakPolarHBondContact O-CG1 3.31Å; I583-I587 PolarHBondContact O-N 2.99Å; I587-H590 HydrophobicContact CG2-CB 3.84Å
588	L	95.6	Very high	91.6	Very high	95 Å²	95	59.2 Å²	59.2	50%	0.497	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-30.5	174.2	-60.3	177.8	0	0	0	112.5	Q497 K499 L564 G586	Q497-L588 PolarHBondContact O-N 3.24Å; K499-L588 HydrophobicContact CG-CD1 4.11Å; L564-L588 HydrophobicContact CD2-CD1 3.45Å; L564-L588 VanDerWaalsContact CD2-CD1 3.45Å; G586-L588 PolarHBondContact O-N 3.06Å
589	K	90.7	Very high	91.7	Very high	136 Å²	136	58.6 Å²	58.6	59%	0.591	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.1	138.9	174.2	-170.5	179.5	-179.4	-178.1	0	108.1	V496 Q497	V496-K589 CarbonylContact C-O 3.58Å; V496-K589 WeakPolarHBondContact CA-O 3.39Å; Q497-K589 HydrophobicContact CB-CB 3.84Å; Q497-K589 PolarHBondContact N-O 3.06Å
590	H	93.6	Very high	92	Very high	79 Å²	79	57.5 Å²	57.5	37%	0.366	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.8	176.4	168.8	-138.4	0	0	0	109.1	D494 L495 V496 I587	D494-H590 IonicContact OD2-CD2 2.67Å; D494-H590 IonicContact OD2-CE1 3.07Å; D494-H590 IonicContact OD2-NE2 2.81Å; D494-H590 PolarHBondContact OD2-NE2 3.16Å; L495-H590 CarbonylContact O-C 3.57Å; L495-H590 WeakPolarHBondContact O-CA 3.26Å; V496-H590 HydrophobicContact CG1-CB 4.47Å; I587-H590 HydrophobicContact CG2-CB 3.84Å
591	S	81.9	Confident	91.9	Very high	53 Å²	53	57.5 Å²	57.5	37%	0.371	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	118.5	172.8	-59.3	0	0	0	0	108	L495 G593	L495-S591 PolarHBondContact N-O 3.35Å; L495-S591 PolarHBondContact O-N 3.09Å; S591-G593 PolarHBondContact O-N 3.48Å
592	I	81.9	Confident	91.8	Very high	134 Å²	134	57.4 Å²	57.4	69%	0.687	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	133.2	178.7	-59.5	173.9	0	0	0	108.7	T492	T492-I592 HydrophobicContact CG2-CG2 4.48Å
593	G	83.4	Confident	91.8	Very high	17 Å²	17	56.4 Å²	56.4	18%	0.175	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-163.3	-173.6	0	0	0	0	0	115.8	Y443 F493 D494 S591	Y443-G593 WeakPolarHBondContact OH-CA 3.36Å; F493-G593 WeakPolarHBondContact O-CA 3.21Å; D494-G593 PolarHBondContact OD1-N 2.83Å; S591-G593 PolarHBondContact O-N 3.48Å
594	H	83.3	Confident	91.8	Very high	97 Å²	97	56.5 Å²	56.5	45%	0.449	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	158.7	171.8	-55	137.9	0	0	0	111.7	N442 Y443 T492 F493 D596 V599	N442-H594 PolarHBondContact ND2-ND1 2.87Å; N442-H594 PolarHBondContact OD1-ND1 3.46Å; N442-H594 VanDerWaalsContact OD1-ND1 3.13Å; Y443-H594 PolarHBondContact OH-N 3.3Å; Y443-H594 VanDerWaalsContact OH-N 3.09Å; T492-H594 VanDerWaalsContact CA-O 3.26Å; T492-H594 WeakPolarHBondContact CA-O 3.38Å; T492-H594 WeakPolarHBondContact CB-O 3.4Å; F493-H594 PolarHBondContact N-O 3.14Å; H594-D596 PolarHBondContact O-N 2.86Å; H594-V599 HydrophobicContact CB-CG2 3.72Å
595	L	84.6	Confident	91.8	Very high	70 Å²	70	55.1 Å²	55.1	37%	0.366	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	130	174.1	-176.5	61.4	0	0	0	110.7	G491 V597 L598 V599	G491-L595 VanDerWaalsContact O-CD1 3.31Å; G491-L595 WeakPolarHBondContact O-CD1 3.22Å; L595-V597 PolarHBondContact O-N 3.33Å; L595-L598 HydrophobicContact CB-CB 4.27Å; L595-L598 HydrophobicContact CB-CD1 4.02Å; L595-L598 HydrophobicContact CB-CG 4.12Å; L595-L598 HydrophobicContact CD2-CD1 4Å; L595-L598 HydrophobicContact CD2-CG 3.95Å; L595-L598 HydrophobicContact CG-CG 4.31Å; L595-L598 PolarHBondContact O-N 2.97Å; L595-L598 VanDerWaalsContact O-N 3.11Å; L595-V599 PolarHBondContact O-N 3.27Å
596	D	92.8	Very high	91.8	Very high	9 Å²	9	55.3 Å²	55.3	5%	0.048	28%	0.281	C	S	.	.	H	α-helix	trans	-50.8	-51.8	-175.3	53.6	4.5	0	0	0	113.5	L487 G491 F493 H594 L598 V599 L600	L487-D596 HydrophobicContact CD1-CB 4.23Å; G491-D596 PolarHBondContact N-OD2 3.18Å; G491-D596 WeakPolarHBondContact O-CB 3.33Å; G491-D596 PolarHBondContact O-N 2.89Å; F493-D596 HydrophobicContact CD1-CB 4.07Å; F493-D596 HydrophobicContact CD2-CB 4.21Å; F493-D596 HydrophobicContact CE1-CB 3.64Å; F493-D596 HydrophobicContact CE2-CB 3.81Å; F493-D596 WeakPolarHBondContact CE2-O 3.17Å; F493-D596 HydrophobicContact CG-CB 4.35Å; F493-D596 HydrophobicContact CZ-CB 3.51Å; H594-D596 PolarHBondContact O-N 2.86Å; D596-L598 VanDerWaalsContact C-N 3.32Å; D596-L598 PolarHBondContact O-N 2.8Å; D596-V599 PolarHBondContact O-N 3.5Å; D596-L600 PolarHBondContact O-N 2.97Å; D596-L600 VanDerWaalsContact O-N 3.15Å
597	V	91.9	Very high	91.8	Very high	6 Å²	6	59.8 Å²	59.8	4%	0.036	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-35.6	-179.2	172	0	0	0	0	111.6	L480 L483 L484 L487 L595 S601	L480-V597 HydrophobicContact CD1-CG1 3.45Å; L480-V597 VanDerWaalsContact CD1-CG1 3.45Å; L483-V597 HydrophobicContact CB-CG1 4.11Å; L484-V597 HydrophobicContact CD2-CB 4.42Å; L484-V597 HydrophobicContact CD2-CG1 4.06Å; L484-V597 HydrophobicContact CD2-CG2 3.93Å; L484-V597 HydrophobicContact CG-CG1 4.19Å; L487-V597 HydrophobicContact CB-CG2 3.83Å; L487-V597 VanDerWaalsContact O-CG2 3.3Å; L487-V597 WeakPolarHBondContact O-CG2 3.4Å; L595-V597 PolarHBondContact O-N 3.33Å; V597-S601 VanDerWaalsContact O-CB 3.31Å; V597-S601 WeakPolarHBondContact O-CB 3.37Å; V597-S601 PolarHBondContact O-N 2.76Å; V597-S601 PolarHBondContact O-OG 3.42Å
598	L	87.9	Confident	91.7	Very high	82 Å²	82	59.2 Å²	59.2	43%	0.429	30%	0.301	S	S	.	.	H	α-helix	trans	-71.1	-37.3	177.7	-68.2	-179.4	0	0	0	112	L595 D596 S601 N602	L595-L598 HydrophobicContact CB-CB 4.27Å; L595-L598 HydrophobicContact CB-CD1 4.02Å; L595-L598 HydrophobicContact CB-CG 4.12Å; L595-L598 HydrophobicContact CD2-CD1 4Å; L595-L598 HydrophobicContact CD2-CG 3.95Å; L595-L598 HydrophobicContact CG-CG 4.31Å; L595-L598 PolarHBondContact O-N 2.97Å; L595-L598 VanDerWaalsContact O-N 3.11Å; D596-L598 VanDerWaalsContact C-N 3.32Å; D596-L598 PolarHBondContact O-N 2.8Å; L598-S601 WeakPolarHBondContact CA-OG 3.49Å; L598-S601 PolarHBondContact O-N 3.05Å; L598-S601 PolarHBondContact O-OG 3.24Å; L598-S601 VanDerWaalsContact O-OG 3.09Å; L598-N602 VanDerWaalsContact O-CB 3.24Å; L598-N602 WeakPolarHBondContact O-CB 3.44Å; L598-N602 PolarHBondContact O-N 3.25Å; L598-N602 PolarHBondContact O-ND2 3.05Å; L598-N602 PolarHBondContact O-OD1 2.84Å
599	V	93.4	Very high	91.8	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-48.8	174.7	169.5	0	0	0	0	110.2	A438 N442 F493 H594 L595 D596 Y603	A438-V599 HydrophobicContact CB-CG1 4.24Å; A438-V599 WeakPolarHBondContact O-CG1 3.21Å; N442-V599 HydrophobicContact CB-CG1 3.76Å; N442-V599 HydrophobicContact CB-CG2 4.35Å; F493-V599 HydrophobicContact CD2-CB 3.7Å; F493-V599 HydrophobicContact CD2-CG1 3.75Å; F493-V599 HydrophobicContact CD2-CG2 4.01Å; F493-V599 HydrophobicContact CE2-CB 4.06Å; F493-V599 HydrophobicContact CE2-CG1 4.12Å; H594-V599 HydrophobicContact CB-CG2 3.72Å; L595-V599 PolarHBondContact O-N 3.27Å; D596-V599 PolarHBondContact O-N 3.5Å; V599-Y603 WeakPolarHBondContact O-CB 3.31Å; V599-Y603 PolarHBondContact O-N 2.61Å; V599-Y603 VanDerWaalsContact O-N 3.13Å
600	L	97.4	Very high	92.1	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-66.2	-43.7	178.3	-178.1	59.2	0	0	0	112.1	L434 I435 A438 L483 L487 D596 N602 Y603 M604	L434-L600 HydrophobicContact CD2-CD1 4.36Å; L434-L600 HydrophobicContact CG-CD1 4.16Å; I435-L600 HydrophobicContact CG1-CD1 4.35Å; I435-L600 HydrophobicContact CG1-CD2 4.09Å; A438-L600 HydrophobicContact CB-CD1 4.1Å; L483-L600 HydrophobicContact CD1-CB 4.42Å; L483-L600 HydrophobicContact CD1-CD2 4.35Å; L483-L600 HydrophobicContact CD1-CG 4.07Å; L483-L600 HydrophobicContact CD2-CD2 3.75Å; L483-L600 HydrophobicContact CD2-CG 4.13Å; L483-L600 HydrophobicContact CG-CD2 4.47Å; L487-L600 HydrophobicContact CD1-CB 4.35Å; L487-L600 HydrophobicContact CD1-CD2 3.89Å; D596-L600 PolarHBondContact O-N 2.97Å; D596-L600 VanDerWaalsContact O-N 3.15Å; L600-N602 PolarHBondContact O-N 2.84Å; L600-Y603 PolarHBondContact O-N 3.49Å; L600-M604 HydrophobicContact CD1-CG 4.31Å; L600-M604 HydrophobicContact CD1-SD 4.41Å; L600-M604 HydrophobicContact CG-SD 4.46Å; L600-M604 WeakPolarHBondContact O-CG 3.33Å; L600-M604 PolarHBondContact O-N 2.85Å
601	S	95.8	Very high	92.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.5	-47.2	179.3	71.6	0	0	0	0	111.6	V597 L598 Y603 M604 E605	V597-S601 VanDerWaalsContact O-CB 3.31Å; V597-S601 WeakPolarHBondContact O-CB 3.37Å; V597-S601 PolarHBondContact O-N 2.76Å; V597-S601 PolarHBondContact O-OG 3.42Å; L598-S601 WeakPolarHBondContact CA-OG 3.49Å; L598-S601 PolarHBondContact O-N 3.05Å; L598-S601 PolarHBondContact O-OG 3.24Å; L598-S601 VanDerWaalsContact O-OG 3.09Å; S601-Y603 VanDerWaalsContact C-N 3.3Å; S601-Y603 PolarHBondContact O-N 2.74Å; S601-M604 PolarHBondContact O-N 2.69Å; S601-E605 WeakPolarHBondContact O-CB 3.38Å; S601-E605 VanDerWaalsContact O-CG 3.31Å; S601-E605 WeakPolarHBondContact O-CG 2.88Å; S601-E605 PolarHBondContact O-N 3.29Å
602	N	93.4	Very high	93.1	Very high	85 Å²	85	57.6 Å²	57.6	46%	0.455	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-38.3	-179.7	-69.3	-13.5	0	0	0	111.5	L598 L600 E605 K606	L598-N602 VanDerWaalsContact O-CB 3.24Å; L598-N602 WeakPolarHBondContact O-CB 3.44Å; L598-N602 PolarHBondContact O-N 3.25Å; L598-N602 PolarHBondContact O-ND2 3.05Å; L598-N602 PolarHBondContact O-OD1 2.84Å; L600-N602 PolarHBondContact O-N 2.84Å; N602-E605 PolarHBondContact O-N 2.98Å; N602-K606 WeakPolarHBondContact O-CB 3.28Å; N602-K606 PolarHBondContact O-N 3.46Å
603	Y	97.4	Very high	93.8	Very high	28 Å²	28	53.9 Å²	53.9	11%	0.11	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-45.2	175	-177.8	-99.7	0	0	0	111.7	L434 A438 D441 V599 L600 S601 K606 K607	L434-Y603 HydrophobicContact CD1-CD1 4.07Å; L434-Y603 HydrophobicContact CD1-CE1 3.64Å; A438-Y603 VanDerWaalsContact CB-CB 3.49Å; A438-Y603 HydrophobicContact CB-CD1 3.83Å; A438-Y603 HydrophobicContact CB-CD2 4.16Å; A438-Y603 HydrophobicContact CB-CG 3.56Å; D441-Y603 HydrophobicContact CB-CD2 3.69Å; D441-Y603 HydrophobicContact CB-CE2 3.69Å; V599-Y603 WeakPolarHBondContact O-CB 3.31Å; V599-Y603 PolarHBondContact O-N 2.61Å; V599-Y603 VanDerWaalsContact O-N 3.13Å; L600-Y603 PolarHBondContact O-N 3.49Å; S601-Y603 VanDerWaalsContact C-N 3.3Å; S601-Y603 PolarHBondContact O-N 2.74Å; Y603-K606 PolarHBondContact O-N 2.59Å; Y603-K607 HydrophobicContact CD1-CG 4.28Å; Y603-K607 HydrophobicContact CE1-CG 3.94Å; Y603-K607 HydrophobicContact CE2-CG 4.28Å; Y603-K607 VanDerWaalsContact CZ-CE 3.41Å; Y603-K607 VanDerWaalsContact O-CG 3.3Å; Y603-K607 WeakPolarHBondContact O-CG 3.28Å; Y603-K607 PolarHBondContact O-N 3.42Å; Y603-K607 VanDerWaalsContact OH-CE 3.24Å; Y603-K607 WeakPolarHBondContact OH-CE 3.32Å
604	M	97.4	Very high	94.5	Very high	1 Å²	1	59 Å²	59	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-65.5	-40.4	177.6	-69.4	-168.1	67.9	0	0	112.3	V410 V478 L483 L600 S601 K607 G608 V610	V410-M604 CarbonylContact O-C 3.46Å; V410-M604 VanDerWaalsContact O-C 3.23Å; V410-M604 WeakPolarHBondContact O-CB 3.2Å; V478-M604 HydrophobicContact CB-CE 3.71Å; V478-M604 HydrophobicContact CG1-CE 3.85Å; V478-M604 HydrophobicContact CG1-SD 4.17Å; V478-M604 HydrophobicContact CG2-CE 3.72Å; L483-M604 HydrophobicContact CD1-SD 4.42Å; L483-M604 HydrophobicContact CD2-SD 3.83Å; L600-M604 HydrophobicContact CD1-CG 4.31Å; L600-M604 HydrophobicContact CD1-SD 4.41Å; L600-M604 HydrophobicContact CG-SD 4.46Å; L600-M604 WeakPolarHBondContact O-CG 3.33Å; L600-M604 PolarHBondContact O-N 2.85Å; S601-M604 PolarHBondContact O-N 2.69Å; M604-K607 PolarHBondContact O-N 3.04Å; M604-G608 PolarHBondContact O-N 2.9Å; M604-V610 HydrophobicContact CE-CG2 3.88Å; M604-V610 HydrophobicContact CG-CG1 4.35Å
605	E	95.9	Very high	95.1	Very high	78 Å²	78	59.8 Å²	59.8	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-44.4	176	-73.8	175.2	-169.9	0	0	110.9	R408 V410 S601 N602 K607 G608	R408-E605 IonicContact CZ-OE1 3.13Å; R408-E605 IonicContact NH1-OE1 2.68Å; R408-E605 PolarHBondContact NH1-OE1 3.3Å; R408-E605 IonicContact NH2-OE1 2.72Å; R408-E605 PolarHBondContact NH2-OE1 3.4Å; V410-E605 HydrophobicContact CB-CG 4.21Å; V410-E605 WeakPolarHBondContact O-CA 3.48Å; V410-E605 VanDerWaalsContact O-CG 3.26Å; V410-E605 WeakPolarHBondContact O-CG 3.41Å; V410-E605 PolarHBondContact O-N 2.98Å; S601-E605 WeakPolarHBondContact O-CB 3.38Å; S601-E605 VanDerWaalsContact O-CG 3.31Å; S601-E605 WeakPolarHBondContact O-CG 2.88Å; S601-E605 PolarHBondContact O-N 3.29Å; N602-E605 PolarHBondContact O-N 2.98Å; E605-K607 VanDerWaalsContact C-N 3.34Å; E605-K607 PolarHBondContact O-N 3.11Å; E605-G608 PolarHBondContact O-N 3.3Å
606	K	96	Very high	95.7	Very high	135 Å²	135	58.3 Å²	58.3	59%	0.587	29%	0.293	S	S	*	.	H	α-helix	trans	-61.8	-39.4	176.4	177.9	-177.9	173.2	-172.3	0	112.3	D441 N602 Y603	D441-K606 IonicContact OD1-NZ 3.99Å; D441-K606 PolarHBondContact OD1-NZ 3.09Å; D441-K606 IonicContact OD2-NZ 2.68Å; D441-K606 PolarHBondContact OD2-NZ 3.22Å; N602-K606 WeakPolarHBondContact O-CB 3.28Å; N602-K606 PolarHBondContact O-N 3.46Å; Y603-K606 PolarHBondContact O-N 2.59Å
607	K	96.9	Very high	96	Very high	107 Å²	107	58.6 Å²	58.6	47%	0.465	29%	0.294	S	S	.	.	H	α-helix	trans	-79.7	-30.7	179.6	-68.1	-67.3	-176.5	175	0	112.7	Y603 M604 E605 W609 V610	Y603-K607 HydrophobicContact CD1-CG 4.28Å; Y603-K607 HydrophobicContact CE1-CG 3.94Å; Y603-K607 HydrophobicContact CE2-CG 4.28Å; Y603-K607 VanDerWaalsContact CZ-CE 3.41Å; Y603-K607 VanDerWaalsContact O-CG 3.3Å; Y603-K607 WeakPolarHBondContact O-CG 3.28Å; Y603-K607 PolarHBondContact O-N 3.42Å; Y603-K607 VanDerWaalsContact OH-CE 3.24Å; Y603-K607 WeakPolarHBondContact OH-CE 3.32Å; M604-K607 PolarHBondContact O-N 3.04Å; E605-K607 VanDerWaalsContact C-N 3.34Å; E605-K607 PolarHBondContact O-N 3.11Å; K607-W609 PolarHBondContact O-N 2.82Å; K607-V610 HydrophobicContact CB-CG1 4.04Å
608	G	94.9	Very high	96.3	Very high	28 Å²	28	58.8 Å²	58.8	29%	0.289	30%	0.295	S	S	.	.	S	Bend	trans	70.9	-53.2	-172.1	0	0	0	0	0	113	K412 M604 E605	K412-G608 PolarHBondContact N-O 2.76Å; M604-G608 PolarHBondContact O-N 2.9Å; E605-G608 PolarHBondContact O-N 3.3Å
609	W	96.8	Very high	96.8	Very high	135 Å²	135	57.8 Å²	57.8	51%	0.511	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.7	178.1	-57.3	79.5	0	0	0	110.6	K412 L414 K607	K412-W609 HydrophobicContact CB-CD2 4.04Å; K412-W609 HydrophobicContact CB-CE3 3.64Å; K412-W609 HydrophobicContact CB-CZ3 4.01Å; K412-W609 HydrophobicContact CD-CD2 4.38Å; K412-W609 HydrophobicContact CD-CE3 4Å; K412-W609 HydrophobicContact CD-CH2 3.53Å; K412-W609 HydrophobicContact CD-CZ2 3.88Å; K412-W609 HydrophobicContact CD-CZ3 3.57Å; K412-W609 HydrophobicContact CG-CE3 4.44Å; K412-W609 HydrophobicContact CG-CZ3 4.44Å; K412-W609 CarbonylContact O-C 3.59Å; K412-W609 VanDerWaalsContact O-CA 3.28Å; K412-W609 WeakPolarHBondContact O-CA 3.49Å; L414-W609 HydrophobicContact CD1-CE3 4.41Å; L414-W609 HydrophobicContact CD2-CE3 3.42Å; L414-W609 VanDerWaalsContact CD2-CE3 3.42Å; L414-W609 HydrophobicContact CD2-CZ3 3.55Å; L414-W609 HydrophobicContact CG-CE3 3.89Å; L414-W609 HydrophobicContact CG-CZ3 4.5Å; K607-W609 PolarHBondContact O-N 2.82Å
610	V	98.1	Very high	96.9	Very high	7 Å²	7	59.8 Å²	59.8	4%	0.042	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.4	177.6	-57	0	0	0	0	111.6	K412 T413 L414 L434 M604 K607	K412-V610 PolarHBondContact O-N 3.13Å; T413-V610 WeakPolarHBondContact CA-O 3.45Å; L414-V610 PolarHBondContact N-O 3.38Å; L434-V610 HydrophobicContact CD1-CB 4.16Å; L434-V610 HydrophobicContact CD1-CG1 4.07Å; L434-V610 HydrophobicContact CD2-CG2 4.23Å; M604-V610 HydrophobicContact CE-CG2 3.88Å; M604-V610 HydrophobicContact CG-CG1 4.35Å; K607-V610 HydrophobicContact CB-CG1 4.04Å
611	Y	97.8	Very high	96.8	Very high	167 Å²	167	63.1 Å²	63.1	66%	0.655	32%	0.322	S	S	*	.			trans	-149.9	52.4	179.9	47.6	-88.2	0	0	0	111	L414 A613	L414-Y611 HydrophobicContact CD1-CD1 4.33Å; Y611-A613 PolarHBondContact O-N 3.5Å
612	P	97.9	Very high	96.1	Very high	19 Å²	19	67.6 Å²	67.6	12%	0.123	35%	0.353	C	S	.	.			trans	-61.3	137.7	-176.9	30.8	-38.1	0	0	0	110.9	V415 L417 N430 L434	V415-P612 HydrophobicContact CG2-CG 4.36Å; L417-P612 HydrophobicContact CD2-CG 3.39Å; N430-P612 HydrophobicContact CB-CB 4.24Å; N430-P612 HydrophobicContact CB-CG 4.28Å; N430-P612 WeakPolarHBondContact CB-O 3.44Å; N430-P612 PolarHBondContact ND2-O 2.94Å; N430-P612 VanDerWaalsContact ND2-O 3.17Å; N430-P612 WeakPolarHBondContact O-CB 3.32Å; L434-P612 HydrophobicContact CB-CB 4.06Å; L434-P612 HydrophobicContact CB-CG 3.98Å; L434-P612 HydrophobicContact CD1-CG 4.5Å; L434-P612 HydrophobicContact CD2-CG 4.39Å
613	A	97.5	Very high	94.9	Very high	56 Å²	56	73.8 Å²	73.8	46%	0.463	37%	0.37	S	S	.	.			trans	-107.7	163.1	177.1	0	0	0	0	0	111.2	N433 Y611	N433-A613 PolarHBondContact ND2-O 2.87Å; Y611-A613 PolarHBondContact O-N 3.5Å
614	M	97.4	Very high	92.3	Very high	124 Å²	124	76 Å²	76	61%	0.611	39%	0.394	S	S	*	.			trans	-82.3	117.6	158.2	-63.8	-179.9	-64.7	0	0	107.1	N430	N430-M614 HydrophobicContact CB-CG 4.48Å
615	E	96.9	Very high	89.6	Confident	114 Å²	114	81.4 Å²	81.4	53%	0.533	43%	0.429	S	S	.	.			trans	-124.6	15.5	-166.7	52.9	175.4	-155.9	0	0	113.2	E428 R617	E428-E615 PolarHBondContact OE1-N 3.25Å; E615-R617 HydrophobicContact CG-CG 3.91Å; E615-R617 IonicContact OE1-CZ 3.71Å; E615-R617 IonicContact OE1-NE 2.7Å; E615-R617 PolarHBondContact OE1-NE 2.97Å; E615-R617 IonicContact OE1-NH2 3.26Å; E615-R617 PolarHBondContact OE1-NH2 3.5Å
616	G	97.1	Very high	86.8	Confident	40 Å²	40	81.9 Å²	81.9	41%	0.412	45%	0.446	S	S	.	.	S	Bend	trans	77.2	29.3	176	0	0	0	0	0	112.7	E428 I618	E428-G616 PolarHBondContact OE1-N 2.93Å; E428-G616 WeakPolarHBondContact OE2-CA 3.29Å; E428-G616 PolarHBondContact OE2-N 3.09Å; G616-I618 PolarHBondContact O-N 2.72Å
617	R	98.4	Very high	84.1	Confident	14 Å²	14	83.4 Å²	83.4	5%	0.053	46%	0.46	C	S	.	.	S	Bend	trans	-62.6	-33.5	169.6	-56.8	-169.4	-176.5	179.1	-0.5	110.7	E428 N433 D437 V524 S525 R528 V529 E615	E428-R617 PolarHBondContact OE1-N 3.23Å; E428-R617 PolarHBondContact OE2-N 3.46Å; N433-R617 PolarHBondContact O-NH1 3.39Å; N433-R617 WeakPolarHBondContact OD1-CD 3.38Å; D437-R617 VanDerWaalsContact CG-NH2 3.28Å; D437-R617 IonicContact OD1-CZ 3.08Å; D437-R617 VanDerWaalsContact OD1-CZ 3.26Å; D437-R617 IonicContact OD1-NH1 3.24Å; D437-R617 PolarHBondContact OD1-NH1 3.4Å; D437-R617 IonicContact OD1-NH2 3.61Å; D437-R617 PolarHBondContact OD1-NH2 2.86Å; D437-R617 IonicContact OD2-CZ 3.44Å; D437-R617 IonicContact OD2-NH1 3.24Å; D437-R617 IonicContact OD2-NH2 3.9Å; D437-R617 PolarHBondContact OD2-NH2 2.82Å; V524-R617 HydrophobicContact CG2-CB 3.65Å; V524-R617 HydrophobicContact CG2-CG 4.49Å; V524-R617 WeakPolarHBondContact O-CD 3.22Å; V524-R617 PolarHBondContact O-NH1 2.97Å; S525-R617 VanDerWaalsContact CB-NH1 3.35Å; R528-R617 CarbonylContact C-O 3.55Å; R528-R617 WeakPolarHBondContact CA-O 3.41Å; V529-R617 PolarHBondContact N-O 3.29Å; E615-R617 HydrophobicContact CG-CG 3.91Å; E615-R617 IonicContact OE1-CZ 3.71Å; E615-R617 IonicContact OE1-NE 2.7Å; E615-R617 PolarHBondContact OE1-NE 2.97Å; E615-R617 IonicContact OE1-NH2 3.26Å; E615-R617 PolarHBondContact OE1-NH2 3.5Å
618	I	98.4	Very high	81.1	Confident	11 Å²	11	86.9 Å²	86.9	6%	0.056	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	120.7	180	-53.1	159.9	0	0	0	109.3	E428 F521 L522 V524 V529 L531 G616 V620	E428-I618 HydrophobicContact CB-CB 4.18Å; E428-I618 HydrophobicContact CB-CD1 4.47Å; E428-I618 PolarHBondContact OE2-N 2.68Å; F521-I618 HydrophobicContact CE1-CD1 3.97Å; F521-I618 HydrophobicContact CE1-CG2 4.39Å; F521-I618 HydrophobicContact CZ-CD1 4.36Å; F521-I618 HydrophobicContact CZ-CG2 3.69Å; L522-I618 WeakPolarHBondContact O-CD1 3.49Å; V524-I618 HydrophobicContact CG1-CD1 4.47Å; V524-I618 HydrophobicContact CG2-CD1 4.21Å; V524-I618 HydrophobicContact CG2-CG1 3.94Å; V529-I618 HydrophobicContact CG1-CB 4.15Å; V529-I618 HydrophobicContact CG1-CG1 4.02Å; V529-I618 HydrophobicContact CG1-CG2 3.67Å; V529-I618 WeakPolarHBondContact O-CA 3.24Å; L531-I618 HydrophobicContact CD1-CG2 4.35Å; G616-I618 PolarHBondContact O-N 2.72Å; I618-V620 HydrophobicContact CG2-CG2 4.31Å
619	T	97.4	Very high	78.2	Confident	60 Å²	60	89 Å²	89	37%	0.368	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.9	174.7	-58.8	0	0	0	0	109.9	V529 V530 L531 L621	V529-T619 PolarHBondContact O-N 3.43Å; V530-T619 CarbonylContact C-O 3.57Å; V530-T619 WeakPolarHBondContact CA-O 3.49Å; L531-T619 PolarHBondContact N-O 3.29Å; T619-L621 HydrophobicContact CG2-CD2 3.98Å
620	V	95.8	Very high	75.4	Confident	45 Å²	45	87.9 Å²	87.9	27%	0.273	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.3	177.5	-176.5	0	0	0	0	110.1	F521 L531 V533 I618	F521-V620 HydrophobicContact CE2-CG2 4.23Å; F521-V620 HydrophobicContact CZ-CG2 4.26Å; L531-V620 CarbonylContact O-C 3.39Å; V533-V620 HydrophobicContact CG1-CG1 3.78Å; V533-V620 HydrophobicContact CG2-CG1 3.92Å; I618-V620 HydrophobicContact CG2-CG2 4.31Å
621	L	95.1	Very high	72.6	Confident	72 Å²	72	95.6 Å²	95.6	38%	0.377	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.2	177.8	-52.3	177.7	0	0	0	109.7	V530 L531 D532 V533 T619	V530-L621 HydrophobicContact CG1-CD1 3.8Å; V530-L621 HydrophobicContact CG1-CG 4.09Å; L531-L621 PolarHBondContact O-N 2.86Å; D532-L621 HydrophobicContact CB-CB 4.41Å; V533-L621 VanDerWaalsContact CG2-O 3.29Å; V533-L621 WeakPolarHBondContact CG2-O 3.31Å; V533-L621 PolarHBondContact N-O 3.05Å; T619-L621 HydrophobicContact CG2-CD2 3.98Å
622	S	81.1	Confident	69.9	Low	94 Å²	94	92.3 Å²	92.3	66%	0.657	54%	0.542	S	S	*	.			trans	-117.1	3.1	-176.6	58.6	0	0	0	0	114.3
623	R	68.2	Low	67.1	Low	214 Å²	214	96.4 Å²	96.4	81%	0.808	57%	0.572	S	S	*	*	S	Bend	trans	-127.2	135.4	176.6	-73.8	-177	173.8	179.4	-2.1	110.8
624	A	44.3	Very low	64.4	Low	74 Å²	74	101.9 Å²	101.9	61%	0.612	59%	0.592	S	S	*	*			trans	-58.4	131	153.2	0	0	0	0	0	107	A626	A624-A626 PolarHBondContact O-N 2.78Å
625	P	39.6	Very low	61.5	Low	116 Å²	116	99.6 Å²	99.6	75%	0.753	60%	0.6	S	S	*	*			trans	-58.3	113.6	172.6	23.3	-29.3	0	0	0	106.8	L627	P625-L627 PolarHBondContact O-N 3Å
626	A	37.5	Very low	58.8	Low	87 Å²	87	102.2 Å²	102.2	72%	0.719	62%	0.617	S	S	*	*			trans	-57.3	117.9	168.6	0	0	0	0	0	105.9	A624 Q628	A624-A626 PolarHBondContact O-N 2.78Å; A626-Q628 PolarHBondContact O-N 3.05Å
627	L	38.6	Very low	56	Low	167 Å²	167	108.3 Å²	108.3	87%	0.874	64%	0.639	S	S	*	*			trans	-57.8	92.5	158.5	-91.2	112.9	0	0	0	106.3	P625 A629	P625-L627 PolarHBondContact O-N 3Å; L627-A629 PolarHBondContact O-N 3.15Å
628	Q	34.8	Very low	53.3	Low	180 Å²	180	114.3 Å²	114.3	84%	0.841	68%	0.677	S	S	*	*			trans	-69.5	78.8	151.6	-86.4	178.7	-36.2	0	0	105.9	A626 T630	A626-Q628 PolarHBondContact O-N 3.05Å; Q628-T630 PolarHBondContact O-N 3.13Å; Q628-T630 VanDerWaalsContact O-N 3.14Å
629	A	34.4	Very low	50.4	Low	72 Å²	72	122.1 Å²	122.1	60%	0.595	72%	0.718	S	S	*	*			trans	-60.8	112	156.9	0	0	0	0	0	106	L627 L631	L627-A629 PolarHBondContact O-N 3.15Å; A629-L631 PolarHBondContact O-N 3Å
630	T	37	Very low	47.7	Very low	112 Å²	112	129.3 Å²	129.3	69%	0.687	74%	0.744	S	S	*	*			trans	-64.1	85.5	169.3	38.1	0	0	0	0	108.9	Q628 S632	Q628-T630 PolarHBondContact O-N 3.13Å; Q628-T630 VanDerWaalsContact O-N 3.14Å; T630-S632 PolarHBondContact O-N 3Å
631	L	38.8	Very low	45.2	Very low	170 Å²	170	133.7 Å²	133.7	89%	0.89	77%	0.771	S	S	*	*			trans	-72.1	67	157.7	-89.2	156.3	0	0	0	108.4	A629	A629-L631 PolarHBondContact O-N 3Å
632	S	41.3	Very low	42.7	Very low	97 Å²	97	138.5 Å²	138.5	68%	0.678	80%	0.796	S	S	*	*			trans	-145.5	56.9	173.8	52	0	0	0	0	109.9	T630	T630-S632 PolarHBondContact O-N 3Å
633	S	40	Very low	40.9	Very low	106 Å²	106	139.9 Å²	139.9	74%	0.741	81%	0.806	S	S	*	*	S	Bend	trans	-156.4	15	166.7	40	0	0	0	0	115.4
634	L	39.5	Very low	39.4	Very low	171 Å²	171	139.7 Å²	139.7	90%	0.895	84%	0.835	S	S	*	*	S	Bend	trans	-113.5	18.9	172.9	-99.5	113.4	0	0	0	114.7
635	G	38.2	Very low	39.1	Very low	75 Å²	75	143 Å²	143	77%	0.773	85%	0.846	S	S	*	*	S	Bend	trans	-111.1	28	-179.9	0	0	0	0	0	115.2
636	L	39.5	Very low	39.1	Very low	170 Å²	170	144.4 Å²	144.4	89%	0.89	85%	0.851	S	S	*	*	S	Bend	trans	-136.8	28.5	-178.4	-121.4	116	0	0	0	114.9
637	L	39.1	Very low	39.2	Very low	167 Å²	167	147.6 Å²	147.6	87%	0.874	86%	0.859	S	S	*	*	S	Bend	trans	-132.5	31.7	177.9	-133.9	107.6	0	0	0	114.7
638	V	40.9	Very low	39.3	Very low	141 Å²	141	146.5 Å²	146.5	86%	0.855	86%	0.858	S	S	*	*	S	Bend	trans	-135.8	23.5	174.8	-165.6	0	0	0	0	113.4
639	L	37.6	Very low	39.5	Very low	175 Å²	175	144.4 Å²	144.4	92%	0.916	86%	0.859	S	S	*	*	S	Bend	trans	-119.6	29.7	174.5	-87.8	165.1	0	0	0	113.9
640	F	40.1	Very low	39.9	Very low	210 Å²	210	149.2 Å²	149.2	92%	0.921	88%	0.876	S	S	*	*	S	Bend	trans	-135.5	37.8	175.2	-106.9	-79	0	0	0	113.5
641	V	44.2	Very low	40.1	Very low	137 Å²	137	151.9 Å²	151.9	83%	0.83	89%	0.89	S	S	*	*	S	Bend	trans	-149.5	85.4	159.1	-171.9	0	0	0	0	107.8
642	L	41.7	Very low	40.2	Very low	173 Å²	173	150.5 Å²	150.5	91%	0.906	89%	0.89	S	S	*	*	S	Bend	trans	178.4	66.1	156	-95	160.8	0	0	0	108.2
643	S	43	Very low	40.1	Very low	124 Å²	124	154.9 Å²	154.9	87%	0.867	91%	0.907	S	S	*	*			trans	-164.8	70.1	159.9	-78.6	0	0	0	0	108.2
644	C	37.2	Very low	40.1	Very low	210 Å²	210	159.4 Å²	159.4	100%	1.419	92%	0.922	S	S	*	*			trans	-161.7	0	149.4	-93.7	0	0	0	0	106.7

Retrieved 644 of 644 residues in 1227.5 ms (Link to these results)

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