A0A077Z007_TRITR Loading...

Apoptosis inducing factor 1, mitochondrial AlphaSync

AlphaFold DB , UniProt , Accession A0A077Z007, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 632 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.9	Very low	28.3	Very low	249 Å²	249	135.9 Å²	135.9	100%	1.227	71%	0.708	S	S	*	*				0	14.6	0	-82.7	-176.5	-175.2	0	0	113.3
2	F	24.4	Very low	28.1	Very low	204 Å²	204	138.7 Å²	138.7	90%	0.895	71%	0.71	S	S	*	*			trans	-112.4	82.9	173.5	-86.3	-90.8	0	0	0	109.4
3	N	24.9	Very low	28	Very low	170 Å²	170	143.3 Å²	143.3	91%	0.909	71%	0.713	S	S	*	*			trans	-150.2	95.6	168.1	-95.1	-11.9	0	0	0	106.2
4	G	25.6	Very low	27.8	Very low	61 Å²	61	138.9 Å²	138.9	63%	0.629	72%	0.722	S	S	*	*			trans	172.7	2.9	-179.1	0	0	0	0	0	120.5
5	T	27.2	Very low	27.6	Very low	92 Å²	92	145.5 Å²	145.5	56%	0.564	73%	0.734	S	S	*	*	S	Bend	trans	-98.6	-13.9	-165.1	-41	0	0	0	0	116.3
6	I	32.4	Very low	27.3	Very low	96 Å²	96	149.1 Å²	149.1	49%	0.492	75%	0.748	S	S	.	*	S	Bend	trans	-121.8	-4.5	-173.5	-81.7	162.5	0	0	0	116.6	V8 E504	I6-V8 VanDerWaalsContact C-N 3.32Å; I6-V8 PolarHBondContact O-N 2.7Å; I6-E504 HydrophobicContact CD1-CB 3.67Å; I6-E504 HydrophobicContact CD1-CG 3.04Å; I6-E504 HydrophobicContact CG1-CG 4.38Å
7	L	29.2	Very low	27.2	Very low	170 Å²	170	146 Å²	146	89%	0.89	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	7.2	171.5	-121.5	94.6	0	0	0	115.1
8	V	30.3	Very low	27.1	Very low	79 Å²	79	143.4 Å²	143.4	48%	0.479	75%	0.747	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113.5	-3.9	-170.2	177.8	0	0	0	0	114.2	I6 L10 K12	I6-V8 VanDerWaalsContact C-N 3.32Å; I6-V8 PolarHBondContact O-N 2.7Å; V8-L10 VanDerWaalsContact C-N 3.32Å; V8-L10 PolarHBondContact O-N 3.48Å; V8-K12 HydrophobicContact CG1-CD 4.26Å
9	F	31.9	Very low	27	Very low	112 Å²	112	142.7 Å²	142.7	49%	0.491	75%	0.753	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79	-3.1	-173.2	-106.7	-78	0	0	0	116.6	A345	F9-A345 HydrophobicContact CE1-CB 3.37Å; F9-A345 HydrophobicContact CZ-CB 3.5Å; F9-A345 VanDerWaalsContact CZ-CB 3.5Å
10	L	31.3	Very low	26.8	Very low	77 Å²	77	140.1 Å²	140.1	40%	0.403	75%	0.746	S	S	.	*	T	Hydrogen-bonded Turn	trans	-138.5	20.7	176.3	-74.5	168.1	0	0	0	115.4	V8 W376 A377	V8-L10 VanDerWaalsContact C-N 3.32Å; V8-L10 PolarHBondContact O-N 3.48Å; L10-W376 WeakPolarHBondContact CD1-O 3.47Å; L10-A377 VanDerWaalsContact CD1-C 3.43Å
11	K	27	Very low	26.9	Very low	185 Å²	185	140.5 Å²	140.5	80%	0.804	75%	0.747	S	S	*	*	S	Bend	trans	-143.6	45.7	-178.4	-136.4	177	-169.8	173	0	114.2
12	K	26	Very low	26.7	Very low	169 Å²	169	139.4 Å²	139.4	74%	0.735	73%	0.731	S	S	*	*			trans	-144.9	45.4	176.4	-130.1	-177.3	-173.6	-177.3	0	115.3	V8	V8-K12 HydrophobicContact CG1-CD 4.26Å
13	W	27.5	Very low	26.8	Very low	199 Å²	199	141 Å²	141	75%	0.754	73%	0.731	S	S	*	*			trans	-122.5	85	152.8	-74.5	84	0	0	0	108.8	W15	W13-W15 PolarHBondContact O-N 3.3Å
14	G	24.6	Very low	26.8	Very low	81 Å²	81	143.8 Å²	143.8	84%	0.835	73%	0.729	S	S	*	*			trans	-68.2	99.2	174.6	0	0	0	0	0	110.7
15	W	24.7	Very low	26.6	Very low	239 Å²	239	148.9 Å²	148.9	91%	0.905	74%	0.741	S	S	*	*			trans	-112.9	124.3	152.8	-88.4	51.8	0	0	0	108	W13 A17	W13-W15 PolarHBondContact O-N 3.3Å; W15-A17 PolarHBondContact O-N 3.37Å; W15-A17 VanDerWaalsContact O-N 3.12Å
16	Q	22.7	Very low	26.5	Very low	203 Å²	203	149 Å²	149	95%	0.949	75%	0.751	S	S	*	*			trans	-54.9	112.7	179.4	-76	171.8	-41.9	0	0	110.7
17	A	26.2	Very low	26	Very low	96 Å²	96	150.7 Å²	150.7	79%	0.793	77%	0.766	S	S	*	*			trans	-81	117.8	161.5	0	0	0	0	0	108.8	W15	W15-A17 PolarHBondContact O-N 3.37Å; W15-A17 VanDerWaalsContact O-N 3.12Å
18	S	25	Very low	25.9	Very low	100 Å²	100	150.1 Å²	150.1	70%	0.699	76%	0.763	S	S	*	*			trans	-53.5	132.4	171.1	-172.2	0	0	0	0	111.5	S20	S18-S20 PolarHBondContact O-N 3.49Å; S18-S20 VanDerWaalsContact O-N 3.16Å
19	P	24.8	Very low	25.8	Very low	130 Å²	130	154.4 Å²	154.4	84%	0.844	78%	0.778	S	S	*	*			trans	-84.1	91.6	177.3	32.4	-29.7	0	0	0	110
20	S	24.4	Very low	25.3	Very low	89 Å²	89	155 Å²	155	62%	0.622	79%	0.791	S	S	*	*			trans	-150.4	96.6	160.4	68.1	0	0	0	0	110.7	S18	S18-S20 PolarHBondContact O-N 3.49Å; S18-S20 VanDerWaalsContact O-N 3.16Å
21	I	27	Very low	25.2	Very low	149 Å²	149	158.4 Å²	158.4	76%	0.764	81%	0.814	S	S	*	*			trans	-170.8	101.4	136.5	-90.8	146	0	0	0	106.1
22	Y	23.9	Very low	25	Very low	227 Å²	227	154.4 Å²	154.4	89%	0.89	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-65.2	123.2	164.6	-90.9	-100.5	0	0	0	108.5
23	W	26.1	Very low	25.3	Very low	237 Å²	237	151.5 Å²	151.5	90%	0.898	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-101.1	124.3	154.2	-90.8	95.6	0	0	0	109.5
24	R	24.3	Very low	25.2	Very low	228 Å²	228	149.1 Å²	149.1	86%	0.86	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-66.1	132.1	-177.7	-73.9	176	169.4	-160.6	-3.8	111
25	L	21.5	Very low	25.4	Very low	169 Å²	169	150.8 Å²	150.8	89%	0.885	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-57	126.4	148.7	-81.6	151.6	0	0	0	109
26	A	26.6	Very low	25.5	Very low	94 Å²	94	149.6 Å²	149.6	78%	0.777	81%	0.807	S	S	*	*			trans	-127.7	90.6	161.6	0	0	0	0	0	108
27	T	21.5	Very low	25.8	Very low	131 Å²	131	145.5 Å²	145.5	80%	0.804	80%	0.801	S	S	*	*			trans	-69.9	123.7	156.6	12.9	0	0	0	0	108.5
28	L	26.8	Very low	25.8	Very low	159 Å²	159	146.6 Å²	146.6	83%	0.832	80%	0.802	S	S	*	*			trans	-138.9	107.2	161	-94.1	167.4	0	0	0	110.2
29	H	27.4	Very low	26.5	Very low	169 Å²	169	147.4 Å²	147.4	78%	0.782	81%	0.806	S	S	*	*			trans	33.2	117.4	140.8	-82.2	-73.7	0	0	0	121.8
30	T	22.8	Very low	27	Very low	125 Å²	125	146.5 Å²	146.5	77%	0.767	80%	0.8	S	S	*	*			trans	-16.3	130.7	136.3	38.4	0	0	0	0	118
31	V	27.7	Very low	27.1	Very low	147 Å²	147	147 Å²	147	89%	0.891	80%	0.803	S	S	*	*			trans	-136.6	125.3	141	179.7	0	0	0	0	108.6
32	S	23.9	Very low	27	Very low	101 Å²	101	151.2 Å²	151.2	71%	0.706	81%	0.811	S	S	*	*			trans	-87.6	146.3	174.2	63.8	0	0	0	0	111.7
33	S	31.3	Very low	27	Very low	108 Å²	108	151.6 Å²	151.6	76%	0.755	81%	0.811	S	S	*	*				171.1	119.8	118.8	43.2	0	0	0	0	113.2
34	N	26.2	Very low	26.9	Very low	150 Å²	150	148.1 Å²	148.1	80%	0.802	81%	0.809	S	S	*	*			trans	40.5	124.4	137.7	-62	-13.7	0	0	0	121.7
35	C	27.9	Very low	26.8	Very low	116 Å²	116	142.5 Å²	142.5	78%	0.784	80%	0.803	S	S	*	*				-170.7	123.6	100	-90.6	0	0	0	0	113.7
36	Y	27.3	Very low	27.2	Very low	213 Å²	213	141.6 Å²	141.6	84%	0.835	80%	0.798	S	S	*	*			trans	40.9	116.1	140.5	-75.7	-87.7	0	0	0	122.5
37	S	28.8	Very low	27.2	Very low	118 Å²	118	144.2 Å²	144.2	83%	0.825	80%	0.799	S	S	*	*				139.2	135	106.5	61.4	0	0	0	0	113.9
38	S	27.1	Very low	27.2	Very low	118 Å²	118	147.2 Å²	147.2	83%	0.825	80%	0.801	S	S	*	*			trans	-94.8	167.7	-171.9	-49.3	0	0	0	0	112.6
39	P	40.2	Very low	27.3	Very low	118 Å²	118	145.3 Å²	145.3	77%	0.766	80%	0.801	S	S	*	*			trans	-104.4	-157.5	-155.1	46.7	-36.7	0	0	0	111.3
40	P	35.1	Very low	27.2	Very low	111 Å²	111	145.4 Å²	145.4	72%	0.721	80%	0.801	S	S	*	*				-155	-170.3	51.5	37.9	-12	0	0	0	117.1
41	S	24.7	Very low	27.6	Very low	99 Å²	99	148.1 Å²	148.1	69%	0.692	81%	0.81	S	S	*	*			trans	101.6	112.5	147.1	72.2	0	0	0	0	120.5
42	Y	25.6	Very low	27.6	Very low	237 Å²	237	144.3 Å²	144.3	93%	0.929	80%	0.8	S	S	*	*			trans	-140.2	102	130.8	-87.3	-78	0	0	0	109
43	R	23.6	Very low	27.8	Very low	235 Å²	235	148.8 Å²	148.8	89%	0.887	81%	0.81	S	S	*	*			trans	-86.7	128.3	156.4	-100.6	179.6	171.3	-177.4	-2.5	106.2
44	L	25.7	Very low	27.8	Very low	165 Å²	165	149.3 Å²	149.3	86%	0.864	81%	0.814	S	S	*	*			trans	-115.3	111.8	152.1	-134.8	92.6	0	0	0	108.2
45	C	21.4	Very low	28.3	Very low	109 Å²	109	147.8 Å²	147.8	74%	0.736	81%	0.812	S	S	*	*			trans	-124.9	112.7	171.6	-156.6	0	0	0	0	104.9
46	L	28.7	Very low	28.3	Very low	150 Å²	150	146.7 Å²	146.7	79%	0.785	81%	0.812	S	S	*	*			trans	-136	91.2	162.3	-76.5	175.4	0	0	0	105.1
47	L	27.5	Very low	28.2	Very low	150 Å²	150	147.8 Å²	147.8	79%	0.785	81%	0.814	S	S	*	*				75.7	96.9	96.4	-90.3	163	0	0	0	112.8
48	K	22.1	Very low	28.1	Very low	193 Å²	193	149.7 Å²	149.7	84%	0.839	81%	0.813	S	S	*	*			trans	-56.7	137.5	151.3	-80.6	176.7	168.6	-177.8	0	109.8
49	S	29.4	Very low	28.1	Very low	119 Å²	119	149.6 Å²	149.6	83%	0.832	81%	0.812	S	S	*	*			trans	-136	111	147.6	62.5	0	0	0	0	108.4
50	E	24.7	Very low	27.4	Very low	171 Å²	171	152.5 Å²	152.5	80%	0.799	82%	0.815	S	S	*	*			trans	-75.7	151.2	161.1	-71.2	175.1	163.5	0	0	109.9
51	L	31.3	Very low	27.1	Very low	183 Å²	183	158.8 Å²	158.8	96%	0.958	82%	0.824	S	S	*	*			trans	147.1	120.5	164.1	-83.4	167.2	0	0	0	104.3
52	G	26.5	Very low	27.1	Very low	66 Å²	66	163.3 Å²	163.3	68%	0.68	83%	0.832	S	S	*	*			cis	152.9	139	13.2	0	0	0	0	0	105.6
53	E	29.9	Very low	27.2	Very low	195 Å²	195	159.8 Å²	159.8	91%	0.911	83%	0.828	S	S	*	*			trans	83	98.2	163.5	-56.5	-170.5	162.5	0	0	121.4
54	S	29.5	Very low	27.2	Very low	120 Å²	120	152.9 Å²	152.9	84%	0.839	82%	0.815	S	S	*	*				45.1	144.7	120.7	-151.7	0	0	0	0	123.7
55	P	37.6	Very low	27.4	Very low	117 Å²	117	150.9 Å²	150.9	76%	0.76	81%	0.811	S	S	*	*			trans	-107.1	155.1	-167.2	39.9	-28.6	0	0	0	115.1
56	A	27.7	Very low	27.7	Very low	94 Å²	94	152.3 Å²	152.3	78%	0.777	82%	0.816	S	S	*	*			trans	162.7	135.3	134.1	0	0	0	0	0	113.5
57	R	24.6	Very low	27.9	Very low	236 Å²	236	150.7 Å²	150.7	89%	0.891	82%	0.817	S	S	*	*			trans	33.7	129.1	143.7	-58	-176.3	-178	-168.5	0.8	119.9
58	I	27.6	Very low	27.8	Very low	157 Å²	157	152.8 Å²	152.8	81%	0.805	82%	0.823	S	S	*	*				158.1	115.6	119.2	-79.3	154.8	0	0	0	108.6
59	C	27.7	Very low	28.3	Very low	117 Å²	117	151.7 Å²	151.7	79%	0.791	83%	0.825	S	S	*	*				156.1	121.8	105.6	-137.9	0	0	0	0	112.4
60	E	24.2	Very low	28.4	Very low	178 Å²	178	151.3 Å²	151.3	83%	0.832	82%	0.823	S	S	*	*			trans	-62.1	137.7	155.8	-60.9	175.1	137	0	0	110.6
61	R	28.6	Very low	28.9	Very low	244 Å²	244	152.4 Å²	152.4	92%	0.921	83%	0.825	S	S	*	*			trans	-178.4	114.2	130.8	-103	173.2	-174.2	-169.1	2.4	112.4
62	K	25.6	Very low	29.1	Very low	194 Å²	194	149.5 Å²	149.5	84%	0.843	82%	0.817	S	S	*	*			trans	15.5	122.8	136.2	-78.2	-179	173.8	178.1	0	118
63	L	27	Very low	29.4	Very low	163 Å²	163	154.3 Å²	154.3	85%	0.853	83%	0.827	S	S	*	*				177	151.5	100.1	-99.2	146.8	0	0	0	113.1
64	S	25	Very low	29.8	Very low	89 Å²	89	153 Å²	153	62%	0.622	82%	0.823	S	S	*	*			trans	-34.8	166.7	170.9	51.4	0	0	0	0	120.5
65	T	29.4	Very low	30	Very low	124 Å²	124	153.9 Å²	153.9	76%	0.761	83%	0.826	S	S	*	*			trans	87.9	90.4	153.1	35.4	0	0	0	0	119.3
66	T	27.6	Very low	30.1	Very low	138 Å²	138	151 Å²	151	85%	0.847	82%	0.817	S	S	*	*			trans	25.2	113.3	131.2	17.1	0	0	0	0	118.9
67	S	31.9	Very low	30.8	Very low	116 Å²	116	150.7 Å²	150.7	81%	0.811	80%	0.802	S	S	*	*			trans	-148.3	130.9	132.7	57.6	0	0	0	0	111.8
68	Q	26.9	Very low	32	Very low	195 Å²	195	145.4 Å²	145.4	91%	0.911	80%	0.797	S	S	*	*			trans	-19.1	122.1	170.6	-60.4	178.2	-7.6	0	0	117.4
69	L	31.7	Very low	33	Very low	169 Å²	169	144.8 Å²	144.8	89%	0.885	79%	0.79	S	S	*	*			trans	-113.8	116.4	157	-107.7	148.4	0	0	0	108.7
70	S	31.2	Very low	33.9	Very low	111 Å²	111	144.9 Å²	144.9	78%	0.776	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-57.9	126.9	175.8	43.9	0	0	0	0	112.5
71	K	34.5	Very low	35	Very low	194 Å²	194	142.4 Å²	142.4	84%	0.843	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-82.8	139	166.3	-76.5	-177.5	176	-179.3	0	110.2
72	P	36.3	Very low	36.1	Very low	122 Å²	122	138.6 Å²	138.6	79%	0.792	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-74.1	139.5	178.3	30.1	-32.7	0	0	0	111.4	M74	P72-M74 PolarHBondContact O-N 3.19Å
73	N	33.3	Very low	37.5	Very low	168 Å²	168	134.8 Å²	134.8	90%	0.898	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-69.6	121.4	176.5	-80.4	-34.5	0	0	0	111.1
74	M	36.9	Very low	39.1	Very low	168 Å²	168	130.9 Å²	130.9	83%	0.828	72%	0.721	S	S	*	*			trans	-106.8	127.2	164.7	-79.4	-101.8	-80.4	0	0	109	P72 G76	P72-M74 PolarHBondContact O-N 3.19Å; M74-G76 PolarHBondContact O-N 3.27Å
75	P	35.1	Very low	40.9	Very low	137 Å²	137	134.2 Å²	134.2	89%	0.89	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	105	177.1	31.1	-29.1	0	0	0	109.7
76	G	38.9	Very low	42.9	Very low	56 Å²	56	132.3 Å²	132.3	58%	0.577	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	179	-1.8	175.6	0	0	0	0	0	116.1	M74 T78	M74-G76 PolarHBondContact O-N 3.27Å; G76-T78 PolarHBondContact O-N 3.15Å
77	D	43.9	Very low	45	Very low	88 Å²	88	131.9 Å²	131.9	47%	0.471	70%	0.699	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.8	7.8	-163.1	-160.2	24	0	0	0	115.6	K81	D77-K81 IonicContact OD1-NZ 3.84Å; D77-K81 WeakPolarHBondContact OD2-CE 3.37Å; D77-K81 IonicContact OD2-NZ 2.7Å; D77-K81 PolarHBondContact OD2-NZ 2.94Å
78	T	49.7	Very low	46.8	Very low	126 Å²	126	130.5 Å²	130.5	77%	0.773	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-23.4	-179.3	32.9	0	0	0	0	114.5	G76	G76-T78 PolarHBondContact O-N 3.15Å
79	Q	48.2	Very low	49	Very low	143 Å²	143	130.9 Å²	130.9	67%	0.668	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-40.5	178.3	-161.8	154.6	-20.9	0	0	111.8	K81 K82 E83	Q79-K81 PolarHBondContact O-N 3.2Å; Q79-K82 PolarHBondContact O-N 3.21Å; Q79-E83 PolarHBondContact O-N 3.3Å
80	H	45.7	Very low	51.4	Low	120 Å²	120	128 Å²	128	56%	0.556	66%	0.66	S	S	*	*	H	α-helix	trans	-66.6	-32.6	179.7	-159.7	47.9	0	0	0	113.4	K82 N84	H80-K82 PolarHBondContact O-N 3.36Å; H80-N84 PolarHBondContact O-N 3.16Å
81	K	47.3	Very low	53.6	Low	126 Å²	126	127.6 Å²	127.6	55%	0.548	65%	0.647	S	S	.	*	H	α-helix	trans	-71.6	-23.9	175.1	-83.8	177.2	176.2	157.3	0	114.3	D77 Q79	D77-K81 IonicContact OD1-NZ 3.84Å; D77-K81 WeakPolarHBondContact OD2-CE 3.37Å; D77-K81 IonicContact OD2-NZ 2.7Å; D77-K81 PolarHBondContact OD2-NZ 2.94Å; Q79-K81 PolarHBondContact O-N 3.2Å
82	K	52.1	Low	55.6	Low	164 Å²	164	127.3 Å²	127.3	71%	0.713	64%	0.641	S	S	*	*	H	α-helix	trans	-80.3	-41.4	175.8	-99	-179.6	175.7	179.5	0	111.3	Q79 H80 K85 T86	Q79-K82 PolarHBondContact O-N 3.21Å; H80-K82 PolarHBondContact O-N 3.36Å; K82-K85 PolarHBondContact O-N 3.3Å; K82-T86 PolarHBondContact O-N 3.39Å; K82-T86 PolarHBondContact O-OG1 3.37Å
83	E	54.6	Low	57.6	Low	114 Å²	114	124.5 Å²	124.5	53%	0.533	62%	0.624	S	S	.	*	H	α-helix	trans	-66.6	-41.3	178.8	-71.6	172.7	177.1	0	0	112.1	Q79 K85 T86 F87	Q79-E83 PolarHBondContact O-N 3.3Å; E83-K85 VanDerWaalsContact C-N 3.33Å; E83-K85 PolarHBondContact O-N 3.03Å; E83-T86 PolarHBondContact O-N 3.05Å; E83-F87 PolarHBondContact O-N 3.24Å
84	N	60.4	Low	59.7	Low	81 Å²	81	118.7 Å²	118.7	43%	0.433	60%	0.599	S	S	.	*	H	α-helix	trans	-65	-31.8	176.7	-101.4	-14	0	0	0	113.8	H80 N88	H80-N84 PolarHBondContact O-N 3.16Å; N84-N88 WeakPolarHBondContact O-CB 3.34Å; N84-N88 PolarHBondContact O-N 2.96Å
85	K	63.2	Low	61.9	Low	158 Å²	158	113.6 Å²	113.6	69%	0.687	58%	0.577	S	S	*	*	H	α-helix	trans	-70.5	-36.6	175.2	-82.1	-174.7	177.1	-177.7	0	112.1	K82 E83 R89	K82-K85 PolarHBondContact O-N 3.3Å; E83-K85 VanDerWaalsContact C-N 3.33Å; E83-K85 PolarHBondContact O-N 3.03Å; K85-R89 WeakPolarHBondContact O-CG 3.34Å; K85-R89 PolarHBondContact O-N 3.22Å; K85-R89 VanDerWaalsContact O-N 3.16Å
86	T	71.3	Confident	64.1	Low	84 Å²	84	109.9 Å²	109.9	52%	0.515	56%	0.558	S	S	.	*	H	α-helix	trans	-72	-43.2	177.4	-48.7	0	0	0	0	110.9	K82 E83 R89 I90	K82-T86 PolarHBondContact O-N 3.39Å; K82-T86 PolarHBondContact O-OG1 3.37Å; E83-T86 PolarHBondContact O-N 3.05Å; T86-R89 PolarHBondContact O-N 2.99Å; T86-I90 HydrophobicContact CG2-CD1 4.3Å; T86-I90 WeakPolarHBondContact O-CG1 3.41Å; T86-I90 PolarHBondContact O-N 3.44Å
87	F	71.5	Confident	66.3	Low	129 Å²	129	111.9 Å²	111.9	57%	0.566	56%	0.559	S	S	*	*	H	α-helix	trans	-61.8	-46	176.2	-174	-97.9	0	0	0	112.3	E83 R89 I90 M91	E83-F87 PolarHBondContact O-N 3.24Å; F87-R89 VanDerWaalsContact C-N 3.31Å; F87-R89 PolarHBondContact O-N 3.45Å; F87-I90 PolarHBondContact O-N 2.92Å; F87-M91 HydrophobicContact CE1-CG 4Å; F87-M91 HydrophobicContact CZ-CG 4.24Å; F87-M91 PolarHBondContact O-N 3.47Å
88	N	69.3	Low	67.8	Low	87 Å²	87	113.2 Å²	113.2	47%	0.465	57%	0.566	S	S	.	*	H	α-helix	trans	-62	-37.6	175.8	-81.5	-11.1	0	0	0	112.2	N84 M91 W92	N84-N88 WeakPolarHBondContact O-CB 3.34Å; N84-N88 PolarHBondContact O-N 2.96Å; N88-M91 PolarHBondContact O-N 2.96Å; N88-W92 WeakPolarHBondContact O-CB 3.5Å; N88-W92 PolarHBondContact O-N 3.27Å
89	R	74.7	Confident	69.3	Low	204 Å²	204	111.3 Å²	111.3	77%	0.77	55%	0.554	S	S	*	*	H	α-helix	trans	-63.8	-42.8	175.7	-81.1	178.3	135.3	179.3	-5	112.3	K85 T86 F87 W92 S93	K85-R89 WeakPolarHBondContact O-CG 3.34Å; K85-R89 PolarHBondContact O-N 3.22Å; K85-R89 VanDerWaalsContact O-N 3.16Å; T86-R89 PolarHBondContact O-N 2.99Å; F87-R89 VanDerWaalsContact C-N 3.31Å; F87-R89 PolarHBondContact O-N 3.45Å; R89-W92 PolarHBondContact O-N 3Å; R89-S93 PolarHBondContact O-N 3.49Å; R89-S93 PolarHBondContact O-OG 3.02Å
90	I	80.5	Confident	70.7	Confident	109 Å²	109	106.3 Å²	106.3	56%	0.559	54%	0.541	S	S	*	.	H	α-helix	trans	-64.1	-45.5	177.7	-65.5	168.4	0	0	0	110.5	T86 F87 W92 S93 A94	T86-I90 HydrophobicContact CG2-CD1 4.3Å; T86-I90 WeakPolarHBondContact O-CG1 3.41Å; T86-I90 PolarHBondContact O-N 3.44Å; F87-I90 PolarHBondContact O-N 2.92Å; I90-W92 PolarHBondContact O-N 3.12Å; I90-S93 VanDerWaalsContact CA-OG 3.3Å; I90-S93 WeakPolarHBondContact CA-OG 3.33Å; I90-S93 PolarHBondContact O-N 2.74Å; I90-S93 PolarHBondContact O-OG 2.95Å; I90-A94 PolarHBondContact O-N 3.23Å
91	M	77.3	Confident	72	Confident	101 Å²	101	103.2 Å²	103.2	50%	0.498	53%	0.533	S	S	.	.	H	α-helix	trans	-58.9	-47.1	176	-95.3	-69.6	-71	0	0	112.4	F87 N88 S93 A94 V95	F87-M91 HydrophobicContact CE1-CG 4Å; F87-M91 HydrophobicContact CZ-CG 4.24Å; F87-M91 PolarHBondContact O-N 3.47Å; N88-M91 PolarHBondContact O-N 2.96Å; M91-S93 VanDerWaalsContact C-N 3.35Å; M91-S93 PolarHBondContact O-N 2.73Å; M91-A94 PolarHBondContact O-N 2.98Å; M91-V95 WeakPolarHBondContact O-CG2 3.35Å; M91-V95 PolarHBondContact O-N 2.95Å
92	W	77.6	Confident	73.2	Confident	188 Å²	188	101.1 Å²	101.1	71%	0.712	53%	0.53	S	S	*	.	H	α-helix	trans	-66	-35.2	177.8	-78.9	112.3	0	0	0	112.8	N88 R89 I90 A96	N88-W92 WeakPolarHBondContact O-CB 3.5Å; N88-W92 PolarHBondContact O-N 3.27Å; R89-W92 PolarHBondContact O-N 3Å; I90-W92 PolarHBondContact O-N 3.12Å; W92-A96 WeakPolarHBondContact O-CB 3.41Å; W92-A96 PolarHBondContact O-N 3.35Å
93	S	78.8	Confident	74.1	Confident	64 Å²	64	98 Å²	98	45%	0.448	52%	0.521	S	S	.	.	H	α-helix	trans	-67	-37.1	172.6	48.5	0	0	0	0	112.9	R89 I90 M91 A96 V97	R89-S93 PolarHBondContact O-N 3.49Å; R89-S93 PolarHBondContact O-OG 3.02Å; I90-S93 VanDerWaalsContact CA-OG 3.3Å; I90-S93 WeakPolarHBondContact CA-OG 3.33Å; I90-S93 PolarHBondContact O-N 2.74Å; I90-S93 PolarHBondContact O-OG 2.95Å; M91-S93 VanDerWaalsContact C-N 3.35Å; M91-S93 PolarHBondContact O-N 2.73Å; S93-A96 PolarHBondContact O-N 3.36Å; S93-V97 WeakPolarHBondContact O-CG2 3.3Å; S93-V97 PolarHBondContact O-N 3.02Å
94	A	77.2	Confident	75	Confident	46 Å²	46	100.4 Å²	100.4	38%	0.38	53%	0.526	S	S	.	.	H	α-helix	trans	-67.1	-40.9	177	0	0	0	0	0	111.6	I90 M91 V97 L98	I90-A94 PolarHBondContact O-N 3.23Å; M91-A94 PolarHBondContact O-N 2.98Å; A94-V97 PolarHBondContact O-N 2.63Å; A94-L98 WeakPolarHBondContact O-CB 3.33Å; A94-L98 WeakPolarHBondContact O-CG 3.27Å; A94-L98 PolarHBondContact O-N 2.86Å
95	V	83.2	Confident	75.4	Confident	60 Å²	60	103.5 Å²	103.5	36%	0.364	54%	0.536	S	S	.	.	H	α-helix	trans	-63.8	-40.7	174.1	173.9	0	0	0	0	111.2	M91 L98 T99	M91-V95 WeakPolarHBondContact O-CG2 3.35Å; M91-V95 PolarHBondContact O-N 2.95Å; V95-L98 PolarHBondContact O-N 3.5Å; V95-T99 HydrophobicContact CG1-CG2 4.37Å; V95-T99 WeakPolarHBondContact O-CB 3.33Å; V95-T99 WeakPolarHBondContact O-CG2 3.47Å; V95-T99 PolarHBondContact O-N 3.44Å; V95-T99 PolarHBondContact O-OG1 3.45Å
96	A	81	Confident	75.5	Confident	59 Å²	59	103.9 Å²	103.9	49%	0.488	54%	0.538	S	S	.	.	H	α-helix	trans	-65.2	-38.8	176.4	0	0	0	0	0	112.6	W92 S93 T99 G100	W92-A96 WeakPolarHBondContact O-CB 3.41Å; W92-A96 PolarHBondContact O-N 3.35Å; S93-A96 PolarHBondContact O-N 3.36Å; A96-T99 WeakPolarHBondContact CA-OG1 3.42Å; A96-T99 PolarHBondContact O-OG1 3.42Å; A96-T99 VanDerWaalsContact O-OG1 3.12Å; A96-G100 PolarHBondContact O-N 2.97Å
97	V	84.3	Confident	75.3	Confident	99 Å²	99	106.9 Å²	106.9	60%	0.6	55%	0.548	S	S	*	.	H	α-helix	trans	-68.8	-42.2	176.1	172	0	0	0	0	111.2	S93 A94 G100 S101	S93-V97 WeakPolarHBondContact O-CG2 3.3Å; S93-V97 PolarHBondContact O-N 3.02Å; A94-V97 PolarHBondContact O-N 2.63Å; V97-G100 PolarHBondContact O-N 2.85Å; V97-S101 WeakPolarHBondContact O-CB 3.4Å; V97-S101 PolarHBondContact O-N 3.4Å; V97-S101 PolarHBondContact O-OG 3.27Å
98	L	75.8	Confident	74.3	Confident	116 Å²	116	102.1 Å²	102.1	61%	0.607	53%	0.531	S	S	*	.	H	α-helix	trans	-66.2	-44.7	178.4	-79.3	164.6	0	0	0	111.8	A94 V95 S101 V102	A94-L98 WeakPolarHBondContact O-CB 3.33Å; A94-L98 WeakPolarHBondContact O-CG 3.27Å; A94-L98 PolarHBondContact O-N 2.86Å; V95-L98 PolarHBondContact O-N 3.5Å; L98-S101 PolarHBondContact O-N 2.82Å; L98-V102 WeakPolarHBondContact O-CG2 3.21Å; L98-V102 PolarHBondContact O-N 2.78Å
99	T	81.4	Confident	73	Confident	85 Å²	85	103.7 Å²	103.7	52%	0.521	54%	0.539	S	S	.	.	H	α-helix	trans	-66	-40.2	176.4	49.7	0	0	0	0	111.8	V95 A96 S101 V102 L103	V95-T99 HydrophobicContact CG1-CG2 4.37Å; V95-T99 WeakPolarHBondContact O-CB 3.33Å; V95-T99 WeakPolarHBondContact O-CG2 3.47Å; V95-T99 PolarHBondContact O-N 3.44Å; V95-T99 PolarHBondContact O-OG1 3.45Å; A96-T99 WeakPolarHBondContact CA-OG1 3.42Å; A96-T99 PolarHBondContact O-OG1 3.42Å; A96-T99 VanDerWaalsContact O-OG1 3.12Å; T99-S101 PolarHBondContact O-N 3.45Å; T99-V102 PolarHBondContact O-N 3.46Å; T99-L103 WeakPolarHBondContact O-CB 3.42Å; T99-L103 PolarHBondContact O-N 3.3Å
100	G	78.6	Confident	71.8	Confident	38 Å²	38	98.2 Å²	98.2	39%	0.392	53%	0.532	S	S	.	.	H	α-helix	trans	-62.3	-39.7	172.8	0	0	0	0	0	113.1	A96 V97 L103 Y104	A96-G100 PolarHBondContact O-N 2.97Å; V97-G100 PolarHBondContact O-N 2.85Å; G100-L103 PolarHBondContact O-N 3.18Å; G100-Y104 WeakPolarHBondContact O-CB 3.44Å; G100-Y104 PolarHBondContact O-N 2.68Å
101	S	72.4	Confident	69.9	Low	55 Å²	55	100.5 Å²	100.5	39%	0.385	54%	0.538	S	S	.	.	H	α-helix	trans	-65	-45	176.5	-54.3	0	0	0	0	111.8	V97 L98 T99 Y104 F105	V97-S101 WeakPolarHBondContact O-CB 3.4Å; V97-S101 PolarHBondContact O-N 3.4Å; V97-S101 PolarHBondContact O-OG 3.27Å; L98-S101 PolarHBondContact O-N 2.82Å; T99-S101 PolarHBondContact O-N 3.45Å; S101-Y104 PolarHBondContact O-N 3.46Å; S101-F105 WeakPolarHBondContact O-CB 3.47Å; S101-F105 WeakPolarHBondContact O-CD2 3.36Å; S101-F105 PolarHBondContact O-N 2.89Å
102	V	72	Confident	68	Low	82 Å²	82	103.1 Å²	103.1	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-65.6	-44.1	177	173	0	0	0	0	110.4	L98 T99 Y104 F105 F106	L98-V102 WeakPolarHBondContact O-CG2 3.21Å; L98-V102 PolarHBondContact O-N 2.78Å; T99-V102 PolarHBondContact O-N 3.46Å; V102-Y104 VanDerWaalsContact C-N 3.33Å; V102-Y104 PolarHBondContact O-N 2.74Å; V102-F105 PolarHBondContact O-N 3.47Å; V102-F106 HydrophobicContact CG1-CD2 3.81Å; V102-F106 HydrophobicContact CG1-CE2 3.97Å; V102-F106 WeakPolarHBondContact O-CD2 3.18Å; V102-F106 PolarHBondContact O-N 2.7Å
103	L	70.6	Confident	66	Low	100 Å²	100	101.9 Å²	101.9	52%	0.524	55%	0.553	S	S	.	*	H	α-helix	trans	-65.3	-37.1	177.5	-150.3	81.6	0	0	0	111.8	T99 G100 F106 M107	T99-L103 WeakPolarHBondContact O-CB 3.42Å; T99-L103 PolarHBondContact O-N 3.3Å; G100-L103 PolarHBondContact O-N 3.18Å; L103-F106 CarbonylContact O-C 3.58Å; L103-F106 PolarHBondContact O-N 2.76Å; L103-M107 HydrophobicContact CD2-CE 4.03Å; L103-M107 HydrophobicContact CD2-SD 4.35Å; L103-M107 HydrophobicContact CG-CE 4.25Å; L103-M107 HydrophobicContact CG-SD 4.46Å; L103-M107 VanDerWaalsContact O-CB 3.27Å; L103-M107 WeakPolarHBondContact O-CB 3.49Å; L103-M107 WeakPolarHBondContact O-CG 3.29Å; L103-M107 PolarHBondContact O-N 3.41Å
104	Y	75	Confident	63.8	Low	164 Å²	164	104.6 Å²	104.6	64%	0.643	56%	0.562	S	S	*	*	H	α-helix	trans	-67.7	-37.2	173	-176.8	-95.4	0	0	0	111.8	G100 S101 V102 F106 M107 S108	G100-Y104 WeakPolarHBondContact O-CB 3.44Å; G100-Y104 PolarHBondContact O-N 2.68Å; S101-Y104 PolarHBondContact O-N 3.46Å; V102-Y104 VanDerWaalsContact C-N 3.33Å; V102-Y104 PolarHBondContact O-N 2.74Å; Y104-F106 VanDerWaalsContact C-N 3.29Å; Y104-F106 PolarHBondContact O-N 2.93Å; Y104-M107 PolarHBondContact O-N 3.17Å; Y104-S108 WeakPolarHBondContact O-CA 3.44Å; Y104-S108 WeakPolarHBondContact O-CB 3.39Å; Y104-S108 PolarHBondContact O-N 3.49Å; Y104-S108 PolarHBondContact O-OG 2.88Å
105	F	67.3	Low	61.9	Low	145 Å²	145	106.2 Å²	106.2	64%	0.636	57%	0.569	S	S	*	*	H	α-helix	trans	-66.5	-30	171.5	-101.3	-82.9	0	0	0	112.9	S101 V102	S101-F105 WeakPolarHBondContact O-CB 3.47Å; S101-F105 WeakPolarHBondContact O-CD2 3.36Å; S101-F105 PolarHBondContact O-N 2.89Å; V102-F105 PolarHBondContact O-N 3.47Å
106	F	65	Low	59.7	Low	166 Å²	166	112.3 Å²	112.3	73%	0.728	59%	0.59	S	S	*	*	H	α-helix	trans	-81.7	-30.8	174.3	-92.9	-80.4	0	0	0	113.5	V102 L103 Y104	V102-F106 HydrophobicContact CG1-CD2 3.81Å; V102-F106 HydrophobicContact CG1-CE2 3.97Å; V102-F106 WeakPolarHBondContact O-CD2 3.18Å; V102-F106 PolarHBondContact O-N 2.7Å; L103-F106 CarbonylContact O-C 3.58Å; L103-F106 PolarHBondContact O-N 2.76Å; Y104-F106 VanDerWaalsContact C-N 3.29Å; Y104-F106 PolarHBondContact O-N 2.93Å
107	M	68.6	Low	57.4	Low	148 Å²	148	112.3 Å²	112.3	73%	0.729	59%	0.587	S	S	*	*	H	α-helix	trans	-94.6	-26	-178	-73.3	-168.2	173.1	0	0	113.9	L103 Y104	L103-M107 HydrophobicContact CD2-CE 4.03Å; L103-M107 HydrophobicContact CD2-SD 4.35Å; L103-M107 HydrophobicContact CG-CE 4.25Å; L103-M107 HydrophobicContact CG-SD 4.46Å; L103-M107 VanDerWaalsContact O-CB 3.27Å; L103-M107 WeakPolarHBondContact O-CB 3.49Å; L103-M107 WeakPolarHBondContact O-CG 3.29Å; L103-M107 PolarHBondContact O-N 3.41Å; Y104-M107 PolarHBondContact O-N 3.17Å
108	S	50.8	Low	55.2	Low	29 Å²	29	113.4 Å²	113.4	20%	0.203	59%	0.588	C	S	.	*	S	Bend	trans	-74.7	132.3	167.7	63.6	0	0	0	0	108.1	Y104 S110	Y104-S108 WeakPolarHBondContact O-CA 3.44Å; Y104-S108 WeakPolarHBondContact O-CB 3.39Å; Y104-S108 PolarHBondContact O-N 3.49Å; Y104-S108 PolarHBondContact O-OG 2.88Å; S108-S110 PolarHBondContact O-N 2.71Å
109	D	42	Very low	53.2	Low	120 Å²	120	118.4 Å²	118.4	64%	0.642	60%	0.599	S	S	*	*	S	Bend	trans	-65.3	27.6	-171	-115.3	-23.8	0	0	0	114.3	F111 K112	D109-F111 VanDerWaalsContact C-N 3.32Å; D109-F111 PolarHBondContact O-N 3.03Å; D109-K112 WeakPolarHBondContact OD1-CD 3.35Å; D109-K112 VanDerWaalsContact OD1-CE 3.29Å; D109-K112 WeakPolarHBondContact OD1-CE 3.35Å; D109-K112 IonicContact OD1-NZ 3.72Å; D109-K112 PolarHBondContact OD1-NZ 2.92Å; D109-K112 IonicContact OD2-NZ 2.74Å
110	S	48.4	Very low	51	Low	89 Å²	89	121.2 Å²	121.2	62%	0.622	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-1.1	-179.6	-60.4	0	0	0	0	114.3	S108	S108-S110 PolarHBondContact O-N 2.71Å
111	F	41	Very low	48.9	Very low	157 Å²	157	129.4 Å²	129.4	69%	0.689	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	22.3	174.7	-128.7	-90.4	0	0	0	114.2	D109 L114	D109-F111 VanDerWaalsContact C-N 3.32Å; D109-F111 PolarHBondContact O-N 3.03Å; F111-L114 HydrophobicContact CD1-CD1 4.49Å; F111-L114 HydrophobicContact CE1-CD1 3.78Å; F111-L114 HydrophobicContact CZ-CD1 4.22Å
112	K	37.4	Very low	47.1	Very low	156 Å²	156	134.9 Å²	134.9	68%	0.678	65%	0.645	S	S	*	*	S	Bend	trans	-102.8	13.9	172.8	-77.6	-178.4	-177.5	147.3	0	114.9	D109	D109-K112 WeakPolarHBondContact OD1-CD 3.35Å; D109-K112 VanDerWaalsContact OD1-CE 3.29Å; D109-K112 WeakPolarHBondContact OD1-CE 3.35Å; D109-K112 IonicContact OD1-NZ 3.72Å; D109-K112 PolarHBondContact OD1-NZ 2.92Å; D109-K112 IonicContact OD2-NZ 2.74Å
113	L	36.5	Very low	45.2	Very low	161 Å²	161	141.4 Å²	141.4	84%	0.843	66%	0.661	S	S	*	*			trans	-126.9	57.8	175.1	-74.1	168.2	0	0	0	111.8
114	L	32.5	Very low	43.1	Very low	122 Å²	122	139.5 Å²	139.5	64%	0.639	67%	0.665	S	S	*	*			trans	-104.7	97.4	153.1	-91.1	160.7	0	0	0	107.2	F111	F111-L114 HydrophobicContact CD1-CD1 4.49Å; F111-L114 HydrophobicContact CE1-CD1 3.78Å; F111-L114 HydrophobicContact CZ-CD1 4.22Å
115	P	36.4	Very low	41	Very low	79 Å²	79	136.7 Å²	136.7	51%	0.513	67%	0.669	S	S	.	*			trans	-68.6	138.7	175.4	28.7	-30.8	0	0	0	108.6	S117	P115-S117 WeakPolarHBondContact CB-OG 3.23Å; P115-S117 WeakPolarHBondContact CG-OG 3.43Å; P115-S117 PolarHBondContact O-N 3.34Å
116	K	37.7	Very low	39.2	Very low	189 Å²	189	134.8 Å²	134.8	82%	0.822	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-1.6	170.5	-73.3	178.4	173.4	179	0	114	L118	K116-L118 VanDerWaalsContact C-N 3.33Å; K116-L118 PolarHBondContact O-N 3.24Å
117	S	32.2	Very low	37.3	Very low	58 Å²	58	132.1 Å²	132.1	41%	0.406	68%	0.678	S	S	.	*	H	α-helix	trans	-75	-4.5	-176.8	64	0	0	0	0	115.9	P115 R121	P115-S117 WeakPolarHBondContact CB-OG 3.23Å; P115-S117 WeakPolarHBondContact CG-OG 3.43Å; P115-S117 PolarHBondContact O-N 3.34Å; S117-R121 WeakPolarHBondContact O-CB 3.28Å; S117-R121 PolarHBondContact O-N 3.49Å
118	L	38.1	Very low	35.4	Very low	122 Å²	122	132.2 Å²	132.2	64%	0.639	68%	0.682	S	S	*	*	H	α-helix	trans	-84.4	-25.7	173.8	-79.2	168.5	0	0	0	113.3	K116	K116-L118 VanDerWaalsContact C-N 3.33Å; K116-L118 PolarHBondContact O-N 3.24Å
119	R	34.3	Very low	34.3	Very low	222 Å²	222	138.7 Å²	138.7	84%	0.838	71%	0.714	S	S	*	*	H	α-helix	trans	-82.9	-23.6	177	-126.6	177.7	-169.3	179.7	2.8	113.2
120	E	35.1	Very low	33.7	Very low	144 Å²	144	141.4 Å²	141.4	67%	0.673	72%	0.723	S	S	*	*	H	α-helix	trans	-92.4	-23.1	177.6	-81.4	168.6	164.6	0	0	113.1	Q122 R123 G124	E120-Q122 VanDerWaalsContact C-N 3.26Å; E120-Q122 PolarHBondContact O-N 3.29Å; E120-R123 PolarHBondContact O-N 2.77Å; E120-R123 VanDerWaalsContact O-N 3.14Å; E120-G124 PolarHBondContact O-N 3.42Å
121	R	32.8	Very low	32.9	Very low	209 Å²	209	147 Å²	147	79%	0.789	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-20.1	174.6	-111.2	178.7	174.8	176.2	-2.1	114.6	S117	S117-R121 WeakPolarHBondContact O-CB 3.28Å; S117-R121 PolarHBondContact O-N 3.49Å
122	Q	36	Very low	32.5	Very low	171 Å²	171	143.1 Å²	143.1	80%	0.799	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-10.6	171.6	-80.5	-176.6	-35.3	0	0	113.6	E120	E120-Q122 VanDerWaalsContact C-N 3.26Å; E120-Q122 PolarHBondContact O-N 3.29Å
123	R	31.8	Very low	32.3	Very low	219 Å²	219	140.9 Å²	140.9	83%	0.826	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	-1.3	179.7	-77.3	-174.1	178.3	-173.2	-0.3	114.4	E120	E120-R123 PolarHBondContact O-N 2.77Å; E120-R123 VanDerWaalsContact O-N 3.14Å
124	G	26.7	Very low	32.7	Very low	60 Å²	60	143.5 Å²	143.5	62%	0.619	73%	0.734	S	S	*	*	S	Bend	trans	-125.1	60.9	-175	0	0	0	0	0	114.3	E120	E120-G124 PolarHBondContact O-N 3.42Å
125	S	30.8	Very low	33.4	Very low	104 Å²	104	146.6 Å²	146.6	73%	0.727	74%	0.742	S	S	*	*			trans	-174.4	73.1	147.3	66.2	0	0	0	0	109.1
126	A	28.8	Very low	34.2	Very low	105 Å²	105	150.7 Å²	150.7	87%	0.868	76%	0.755	S	S	*	*			trans	-105.8	63.2	161	0	0	0	0	0	107.4
127	T	26.2	Very low	35.3	Very low	110 Å²	110	143.5 Å²	143.5	68%	0.675	73%	0.727	S	S	*	*	S	Bend	trans	-144.6	104.4	169.8	50	0	0	0	0	105.8
128	D	28.6	Very low	36.6	Very low	151 Å²	151	142.9 Å²	142.9	81%	0.807	73%	0.726	S	S	*	*	S	Bend	trans	52.1	124.8	153.4	-48.6	-31.6	0	0	0	117.8
129	D	27.7	Very low	38.2	Very low	164 Å²	164	137.2 Å²	137.2	88%	0.877	70%	0.696	S	S	*	*			trans	97.1	39	168.7	-50.4	-28.5	0	0	0	119.7
130	E	29.6	Very low	39.5	Very low	178 Å²	178	128.3 Å²	128.3	83%	0.832	67%	0.67	S	S	*	*			trans	-121.2	75.8	150.5	-85	-162.5	168.5	0	0	111.6	S132	E130-S132 PolarHBondContact O-N 3.16Å; E130-S132 VanDerWaalsContact O-N 3.11Å
131	E	31.4	Very low	41	Very low	205 Å²	205	127.7 Å²	127.7	96%	0.958	67%	0.667	S	S	*	*			trans	-76.9	50.8	144.8	-155.3	169.5	-155.7	0	0	108.4	S133	E131-S133 PolarHBondContact O-N 2.81Å
132	S	31.9	Very low	42.8	Very low	77 Å²	77	119.6 Å²	119.6	54%	0.538	64%	0.636	S	S	.	*			trans	-67.2	126.7	165.7	174.8	0	0	0	0	106.3	E130 R134	E130-S132 PolarHBondContact O-N 3.16Å; E130-S132 VanDerWaalsContact O-N 3.11Å; S132-R134 VanDerWaalsContact C-N 3.29Å; S132-R134 PolarHBondContact O-N 2.85Å
133	S	33.7	Very low	44.7	Very low	108 Å²	108	112.7 Å²	112.7	76%	0.755	60%	0.603	S	S	*	*			trans	-55	85.5	-175.2	50.3	0	0	0	0	111.7	E131 K135	E131-S133 PolarHBondContact O-N 2.81Å; S133-K135 VanDerWaalsContact C-N 3.34Å; S133-K135 PolarHBondContact O-N 2.8Å
134	R	44	Very low	46.5	Very low	217 Å²	217	111.6 Å²	111.6	82%	0.819	60%	0.604	S	S	*	*			trans	-55.2	104.3	164	-90	-176.3	-180	174.9	0.8	106	S132 Q136	S132-R134 VanDerWaalsContact C-N 3.29Å; S132-R134 PolarHBondContact O-N 2.85Å; R134-Q136 PolarHBondContact O-N 3.29Å
135	K	48.3	Very low	48.8	Very low	186 Å²	186	111.3 Å²	111.3	81%	0.809	59%	0.588	S	S	*	*			trans	-49.4	115.3	173.9	-90	-179.7	175.9	174.1	0	106.4	S133 P137	S133-K135 VanDerWaalsContact C-N 3.34Å; S133-K135 PolarHBondContact O-N 2.8Å; K135-P137 WeakPolarHBondContact O-CD 3.36Å
136	Q	52.6	Low	50.4	Low	166 Å²	166	108.4 Å²	108.4	78%	0.776	57%	0.568	S	S	*	*			trans	-60.3	130.6	176.5	-88.9	-172.8	-8.1	0	0	107.6	R134 A138	R134-Q136 PolarHBondContact O-N 3.29Å; Q136-A138 PolarHBondContact O-N 2.84Å
137	P	60.8	Low	51.7	Low	37 Å²	37	109.7 Å²	109.7	24%	0.24	57%	0.57	C	S	.	*			trans	-50.7	137.2	175.6	14.3	-29.3	0	0	0	110.9	K135 N139 A140 D420	K135-P137 WeakPolarHBondContact O-CD 3.36Å; P137-N139 PolarHBondContact O-N 3.27Å; P137-A140 HydrophobicContact CG-CB 4.22Å; P137-A140 VanDerWaalsContact O-CB 3.31Å; P137-A140 WeakPolarHBondContact O-CB 3.21Å; P137-A140 PolarHBondContact O-N 2.89Å; P137-D420 WeakPolarHBondContact CA-OD2 3.2Å; P137-D420 HydrophobicContact CB-CB 4.29Å; P137-D420 WeakPolarHBondContact CB-OD2 3.36Å
138	A	60.4	Low	52.7	Low	46 Å²	46	107.7 Å²	107.7	38%	0.38	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.5	-24.7	-163.7	0	0	0	0	0	113.6	Q136 H141 Y288	Q136-A138 PolarHBondContact O-N 2.84Å; A138-H141 PolarHBondContact O-CE1 2.83Å; A138-Y288 HydrophobicContact CB-CE1 4.06Å; A138-Y288 HydrophobicContact CB-CE2 3.87Å
139	N	71.7	Confident	53.7	Low	3 Å²	3	103 Å²	103	2%	0.016	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	-107	13.8	-178.4	72.2	-6.7	0	0	0	114	P137 H141 R142 E189 R257 Y288	P137-N139 PolarHBondContact O-N 3.27Å; N139-H141 PolarHBondContact O-N 3.49Å; N139-R142 HydrophobicContact CB-CG 4.38Å; N139-R142 PolarHBondContact O-N 3.26Å; N139-E189 PolarHBondContact ND2-OE1 3.13Å; N139-R257 PolarHBondContact O-NH2 3.49Å; N139-R257 VanDerWaalsContact OD1-CZ 3.24Å; N139-R257 PolarHBondContact OD1-NH1 3.18Å; N139-R257 VanDerWaalsContact OD1-NH1 3.15Å; N139-R257 PolarHBondContact OD1-NH2 3.48Å; N139-Y288 HydrophobicContact CB-CG 4.47Å
140	A	60	Low	55.4	Low	34 Å²	34	103.6 Å²	103.6	28%	0.281	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-29.3	-176.4	0	0	0	0	0	114.4	P137	P137-A140 HydrophobicContact CG-CB 4.22Å; P137-A140 VanDerWaalsContact O-CB 3.31Å; P137-A140 WeakPolarHBondContact O-CB 3.21Å; P137-A140 PolarHBondContact O-N 2.89Å
141	H	68.2	Low	57.4	Low	132 Å²	132	97.1 Å²	97.1	61%	0.611	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-17.8	-179.2	55.6	-85.3	0	0	0	114.2	A138 N139 E302	A138-H141 PolarHBondContact O-CE1 2.83Å; N139-H141 PolarHBondContact O-N 3.49Å; H141-E302 IonicContact CD2-OE2 3.53Å; H141-E302 PolarHBondContact CD2-OE2 3.09Å; H141-E302 IonicContact NE2-OE2 2.9Å; H141-E302 PolarHBondContact NE2-OE2 3.45Å
142	R	70.4	Confident	60.1	Low	38 Å²	38	94.7 Å²	94.7	14%	0.143	51%	0.507	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-35	-175.8	-67.8	-169.5	78.2	84.5	1.9	112.9	N139 E302 L308 D314	N139-R142 HydrophobicContact CB-CG 4.38Å; N139-R142 PolarHBondContact O-N 3.26Å; R142-E302 IonicContact CZ-OE1 3.52Å; R142-E302 IonicContact NH1-OE1 2.86Å; R142-E302 PolarHBondContact NH1-OE1 2.79Å; R142-E302 IonicContact NH1-OE2 3.5Å; R142-E302 IonicContact NH2-OE1 3.73Å; R142-L308 VanDerWaalsContact NH1-CB 3.31Å; R142-L308 PolarHBondContact NH2-O 2.88Å; R142-D314 VanDerWaalsContact NH2-CG 3.32Å; R142-D314 IonicContact NH2-OD1 3.75Å; R142-D314 PolarHBondContact NH2-OD1 3.3Å; R142-D314 VanDerWaalsContact NH2-OD1 3.16Å; R142-D314 IonicContact NH2-OD2 3.48Å; R142-D314 PolarHBondContact NH2-OD2 3.03Å
143	Y	74.3	Confident	62.9	Low	27 Å²	27	91.7 Å²	91.7	11%	0.106	49%	0.485	C	S	.	.			trans	-112.7	123.1	-172	-56.9	-66.2	0	0	0	110.8	L145 E189 E190 D311	Y143-L145 PolarHBondContact O-N 3.36Å; Y143-E189 HydrophobicContact CD2-CB 4Å; Y143-E189 HydrophobicContact CD2-CG 3.45Å; Y143-E189 VanDerWaalsContact CD2-CG 3.45Å; Y143-E189 WeakPolarHBondContact CD2-OE1 2.99Å; Y143-E189 HydrophobicContact CE2-CG 3.65Å; Y143-E189 WeakPolarHBondContact CE2-OE1 3.44Å; Y143-E189 HydrophobicContact CG-CB 4.16Å; Y143-E189 HydrophobicContact CG-CG 3.96Å; Y143-E190 HydrophobicContact CD1-CG 4.35Å; Y143-E190 HydrophobicContact CE1-CG 3.71Å; Y143-D311 WeakPolarHBondContact CE1-OD2 3.45Å; Y143-D311 PolarHBondContact OH-OD2 2.89Å
144	K	71.5	Confident	65.8	Low	195 Å²	195	86.8 Å²	86.8	85%	0.848	45%	0.45	S	S	*	.			trans	-73.9	96.7	164.2	-83.1	-173.4	176.7	-178.5	0	107.9
145	L	73.7	Confident	68.1	Low	54 Å²	54	84.5 Å²	84.5	28%	0.283	45%	0.449	S	S	.	.			trans	-61.1	143.5	172.3	-60.9	175	0	0	0	109.5	Y143 S147 E189 G255 R257 D271	Y143-L145 PolarHBondContact O-N 3.36Å; L145-S147 PolarHBondContact O-N 2.83Å; L145-E189 HydrophobicContact CD2-CB 4.1Å; L145-G255 WeakPolarHBondContact CA-O 3.39Å; L145-R257 HydrophobicContact CD1-CB 4.36Å; L145-R257 HydrophobicContact CD2-CB 4.14Å; L145-D271 HydrophobicContact CD1-CB 3.85Å
146	S	65.5	Low	70.4	Confident	43 Å²	43	81.2 Å²	81.2	30%	0.301	44%	0.435	S	S	.	.			trans	-61.2	103.4	-179	167.1	0	0	0	0	110.2	G148 G255 R256	S146-G148 PolarHBondContact O-N 3.24Å; S146-G255 PolarHBondContact N-O 3.32Å; S146-R256 PolarHBondContact O-NH1 2.86Å
147	S	55.1	Low	72.6	Confident	132 Å²	132	73.4 Å²	73.4	92%	0.923	40%	0.398	S	S	*	.	S	Bend	trans	-77.8	-9.5	176.3	64.8	0	0	0	0	113	L145	L145-S147 PolarHBondContact O-N 2.83Å
148	G	46.4	Very low	74.3	Confident	69 Å²	69	74.5 Å²	74.5	71%	0.711	41%	0.405	S	S	*	.	S	Bend	trans	-128.7	11	-153.6	0	0	0	0	0	117.2	S146	S146-G148 PolarHBondContact O-N 3.24Å
149	S	51.5	Low	76.2	Confident	53 Å²	53	73.5 Å²	73.5	37%	0.371	39%	0.392	S	S	.	.			trans	-143.1	115.6	176	177.7	0	0	0	0	111.3	V151 R256	S149-V151 PolarHBondContact O-N 3.4Å; S149-V151 WeakPolarHBondContact OG-CG2 3.41Å; S149-V151 PolarHBondContact OG-N 3.18Å; S149-R256 PolarHBondContact O-NH2 3.37Å; S149-R256 VanDerWaalsContact O-NH2 3.12Å
150	H	61.5	Low	77.5	Confident	175 Å²	175	73.3 Å²	73.3	81%	0.81	39%	0.391	S	S	*	.			trans	-66.5	72.2	153	-84.3	-77.9	0	0	0	107.4	K152	H150-K152 PolarHBondContact O-N 2.87Å
151	V	72.2	Confident	79.3	Confident	43 Å²	43	71.7 Å²	71.7	26%	0.261	38%	0.378	S	S	.	.			trans	-58.8	117.9	163.9	-176.7	0	0	0	0	104.8	S149 L153 P239 Q274	S149-V151 PolarHBondContact O-N 3.4Å; S149-V151 WeakPolarHBondContact OG-CG2 3.41Å; S149-V151 PolarHBondContact OG-N 3.18Å; V151-L153 HydrophobicContact CB-CD2 4.32Å; V151-L153 HydrophobicContact CG1-CD2 3.87Å; V151-L153 PolarHBondContact O-N 3.27Å; V151-L153 VanDerWaalsContact O-N 3.13Å; V151-P239 HydrophobicContact CG1-CB 4.33Å; V151-P239 HydrophobicContact CG1-CG 4.33Å; V151-Q274 PolarHBondContact O-NE2 3.21Å
152	K	87.5	Confident	80.8	Confident	154 Å²	154	65.7 Å²	65.7	67%	0.67	35%	0.35	S	S	*	.			trans	-65.6	115.9	174	-175.1	-176.5	177.6	-170.4	0	106.5	H150 A240	H150-K152 PolarHBondContact O-N 2.87Å; K152-A240 HydrophobicContact CB-CB 4.03Å; K152-A240 WeakPolarHBondContact O-CA 3.48Å; K152-A240 PolarHBondContact O-N 3.42Å
153	L	92.1	Very high	82.1	Confident	14 Å²	14	64.4 Å²	64.4	7%	0.073	35%	0.349	C	S	.	.			trans	-102.1	149.7	177.7	-60.2	-178.3	0	0	0	108.9	V151 E155 P239 V253 L270 I276	V151-L153 HydrophobicContact CB-CD2 4.32Å; V151-L153 HydrophobicContact CG1-CD2 3.87Å; V151-L153 PolarHBondContact O-N 3.27Å; V151-L153 VanDerWaalsContact O-N 3.13Å; L153-E155 PolarHBondContact O-N 3.19Å; L153-P239 HydrophobicContact CD2-CB 3.89Å; L153-V253 HydrophobicContact CD2-CB 4.46Å; L153-V253 HydrophobicContact CD2-CG1 4.05Å; L153-V253 HydrophobicContact CD2-CG2 3.52Å; L153-L270 HydrophobicContact CD1-CD1 3.34Å; L153-I276 HydrophobicContact CD1-CD1 4.13Å
154	P	93.2	Very high	83.1	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.026	35%	0.346	C	S	.	.			trans	-61.1	134.8	168.8	28	-34.2	0	0	0	109	K156 I157 L185 D243	P154-K156 PolarHBondContact O-N 2.63Å; P154-I157 HydrophobicContact CG-CD1 4.39Å; P154-L185 HydrophobicContact CG-CD2 4.01Å; P154-D243 WeakPolarHBondContact CB-OD2 3.21Å
155	E	93.3	Very high	84.3	Confident	169 Å²	169	55 Å²	55	79%	0.79	31%	0.313	S	S	*	.	S	Bend	trans	-70.1	-27.9	177.6	-67.6	-176.9	175.1	0	0	111.5	L153 E277	L153-E155 PolarHBondContact O-N 3.19Å; E155-E277 PolarHBondContact O-N 3.07Å
156	K	97	Very high	85.5	Confident	118 Å²	118	53 Å²	53	51%	0.513	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	136.3	179.1	-178.9	169.2	-177.4	151.7	0	110.8	P154 E277	P154-K156 PolarHBondContact O-N 2.63Å; K156-E277 CarbonylContact C-O 3.51Å; K156-E277 VanDerWaalsContact CA-O 3.26Å; K156-E277 WeakPolarHBondContact CA-O 3.46Å; K156-E277 HydrophobicContact CB-CB 4.16Å; K156-E277 HydrophobicContact CD-CG 4.43Å; K156-E277 VanDerWaalsContact CE-OE1 3.28Å; K156-E277 WeakPolarHBondContact CE-OE1 3.04Å; K156-E277 HydrophobicContact CG-CB 4.15Å; K156-E277 HydrophobicContact CG-CG 4.34Å; K156-E277 IonicContact NZ-OE1 3.1Å; K156-E277 PolarHBondContact NZ-OE1 3.41Å
157	I	97.8	Very high	87.1	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.5	178.2	-165.3	70.8	0	0	0	111.5	P154 Y159 L160 K183 L185 L242 I276 E277 Y278 G279	P154-I157 HydrophobicContact CG-CD1 4.39Å; I157-Y159 WeakPolarHBondContact CG1-O 3.11Å; I157-L160 HydrophobicContact CG2-CB 3.92Å; I157-K183 HydrophobicContact CD1-CB 3.75Å; I157-L185 HydrophobicContact CB-CB 4.47Å; I157-L185 HydrophobicContact CD1-CB 4.25Å; I157-L185 HydrophobicContact CG1-CB 3.81Å; I157-L185 HydrophobicContact CG2-CB 4.42Å; I157-L242 HydrophobicContact CD1-CD2 3.55Å; I157-L242 HydrophobicContact CD1-CG 4.41Å; I157-I276 HydrophobicContact CG2-CG2 3.81Å; I157-E277 PolarHBondContact N-O 3.36Å; I157-Y278 CarbonylContact O-C 3.55Å; I157-Y278 VanDerWaalsContact O-CA 3.24Å; I157-Y278 WeakPolarHBondContact O-CA 3.19Å; I157-G279 PolarHBondContact O-N 3.2Å
158	P	97.9	Very high	89.2	Confident	60 Å²	60	45 Å²	45	39%	0.39	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	-42.3	174.3	-25.2	35.7	0	0	0	113.2	K183 G279 K280	P158-K183 HydrophobicContact CG-CB 4.3Å; P158-G279 CarbonylContact O-C 3.32Å; P158-G279 VanDerWaalsContact O-CA 3.28Å; P158-G279 WeakPolarHBondContact O-CA 3.47Å; P158-G279 PolarHBondContact O-N 2.82Å; P158-K280 PolarHBondContact O-N 3.3Å
159	Y	98.8	Very high	91.7	Very high	25 Å²	25	42.1 Å²	42.1	10%	0.098	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	116.6	-177.4	-53.6	-80	0	0	0	110.9	I157 I175 D179 A182 K183 V184 L185 K280 M484 V485	I157-Y159 WeakPolarHBondContact CG1-O 3.11Å; Y159-I175 HydrophobicContact CD1-CD1 4.07Å; Y159-I175 HydrophobicContact CD1-CG2 4.33Å; Y159-I175 HydrophobicContact CD2-CG2 3.75Å; Y159-I175 HydrophobicContact CE1-CG2 4.32Å; Y159-I175 HydrophobicContact CE2-CG2 3.76Å; Y159-I175 HydrophobicContact CG-CD1 4.15Å; Y159-I175 HydrophobicContact CG-CG2 4.05Å; Y159-D179 PolarHBondContact OH-OD2 3.28Å; Y159-A182 HydrophobicContact CD2-CB 3.91Å; Y159-A182 HydrophobicContact CE2-CB 3.58Å; Y159-K183 PolarHBondContact N-O 2.87Å; Y159-V184 HydrophobicContact CD2-CG2 4.22Å; Y159-V184 WeakPolarHBondContact O-CA 2.94Å; Y159-L185 PolarHBondContact O-N 2.87Å; Y159-K280 WeakPolarHBondContact CA-O 3.38Å; Y159-K280 HydrophobicContact CD1-CB 4.14Å; Y159-K280 HydrophobicContact CE1-CD 4.2Å; Y159-M484 HydrophobicContact CD1-CB 4.26Å; Y159-M484 HydrophobicContact CD1-CE 3.92Å; Y159-M484 HydrophobicContact CE1-CB 4.23Å; Y159-V485 HydrophobicContact CE1-CG1 4.29Å; Y159-V485 WeakPolarHBondContact OH-CG1 3.3Å
160	L	98.8	Very high	93.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125	174	177.8	66	0	0	0	109.9	I157 I162 L185 V187 A268 Y278 K280 C281 L282	I157-L160 HydrophobicContact CG2-CB 3.92Å; L160-I162 HydrophobicContact CD2-CD1 4.46Å; L160-I162 HydrophobicContact CD2-CG1 4.32Å; L160-I162 HydrophobicContact CG-CG1 4.24Å; L160-L185 HydrophobicContact CD1-CB 4.48Å; L160-L185 HydrophobicContact CD1-CD2 4.33Å; L160-V187 HydrophobicContact CD1-CG2 3.86Å; L160-A268 HydrophobicContact CD2-CB 3.37Å; L160-Y278 HydrophobicContact CB-CG 4.33Å; L160-Y278 HydrophobicContact CD2-CD1 3.87Å; L160-Y278 HydrophobicContact CD2-CG 4.29Å; L160-K280 PolarHBondContact N-O 3Å; L160-C281 CarbonylContact O-C 3.58Å; L160-C281 VanDerWaalsContact O-CA 3.26Å; L160-C281 WeakPolarHBondContact O-CA 2.99Å; L160-L282 PolarHBondContact O-N 2.59Å
161	L	98.9	Very high	95.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.7	175.6	-42.5	-176.1	0	0	0	109.4	S168 A171 A172 I175 V184 L185 I186 V187 L282 M484	L161-S168 WeakPolarHBondContact CD1-O 3.5Å; L161-A171 HydrophobicContact CD1-CB 4.08Å; L161-A172 HydrophobicContact CD1-CB 3.71Å; L161-I175 HydrophobicContact CD2-CD1 4.14Å; L161-V184 HydrophobicContact CD1-CG1 3.58Å; L161-V184 HydrophobicContact CD2-CG1 4.44Å; L161-V184 HydrophobicContact CG-CG1 3.75Å; L161-L185 PolarHBondContact N-O 2.84Å; L161-I186 HydrophobicContact CB-CG1 4.27Å; L161-I186 HydrophobicContact CD1-CD1 4.4Å; L161-I186 HydrophobicContact CD1-CG1 4.08Å; L161-I186 HydrophobicContact CG-CG1 4.47Å; L161-I186 CarbonylContact O-C 3.52Å; L161-I186 WeakPolarHBondContact O-CA 3.37Å; L161-V187 PolarHBondContact O-N 2.69Å; L161-L282 HydrophobicContact CB-CB 4.42Å; L161-L282 HydrophobicContact CD2-CB 3.53Å; L161-L282 HydrophobicContact CD2-CD2 4.09Å; L161-L282 HydrophobicContact CD2-CG 4.44Å; L161-M484 HydrophobicContact CD2-CE 3.62Å; L161-M484 HydrophobicContact CD2-SD 4.16Å
162	I	98.7	Very high	97	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	112.5	-175.7	-51.6	179.2	0	0	0	109.4	L160 V258 L261 C281 L282 A284 T285 L421	L160-I162 HydrophobicContact CD2-CD1 4.46Å; L160-I162 HydrophobicContact CD2-CG1 4.32Å; L160-I162 HydrophobicContact CG-CG1 4.24Å; I162-V258 HydrophobicContact CD1-CB 4.22Å; I162-V258 HydrophobicContact CD1-CG1 4.02Å; I162-V258 HydrophobicContact CD1-CG2 4.07Å; I162-V258 HydrophobicContact CG1-CG2 4.02Å; I162-V258 HydrophobicContact CG2-CB 3.93Å; I162-V258 HydrophobicContact CG2-CG2 3.81Å; I162-L261 HydrophobicContact CD1-CD1 4.14Å; I162-L261 HydrophobicContact CD1-CD2 4.35Å; I162-C281 VanDerWaalsContact CD1-SG 3.56Å; I162-L282 PolarHBondContact N-O 3Å; I162-A284 CarbonylContact O-C 3.58Å; I162-A284 VanDerWaalsContact O-CA 3.32Å; I162-A284 WeakPolarHBondContact O-CA 3.32Å; I162-A284 PolarHBondContact O-N 2.82Å; I162-T285 HydrophobicContact CG2-CG2 3.86Å; I162-T285 PolarHBondContact O-N 3.41Å; I162-L421 HydrophobicContact CD1-CD1 3.91Å; I162-L421 HydrophobicContact CG2-CD1 4.06Å
163	G	98	Very high	97.5	Very high	11 Å²	11	29.4 Å²	29.4	11%	0.113	15%	0.146	C	C	.	.	S	Bend	trans	112.7	135.6	-174.6	0	0	0	0	0	111.3	S168 I186 V187	G163-S168 WeakPolarHBondContact O-CB 3.29Å; G163-S168 PolarHBondContact O-OG 3.43Å; G163-I186 VanDerWaalsContact O-CG2 3.26Å; G163-I186 WeakPolarHBondContact O-CG2 3.43Å; G163-V187 PolarHBondContact N-O 2.9Å
164	T	96.4	Very high	97.8	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.043	15%	0.147	C	C	.	.	S	Bend	trans	-99.1	29.8	-176.9	44.6	0	0	0	0	113.1	I186 P194 V252	T164-I186 HydrophobicContact CG2-CG2 3.77Å; T164-P194 VanDerWaalsContact O-CA 3.31Å; T164-P194 WeakPolarHBondContact O-CA 3.48Å; T164-V252 HydrophobicContact CG2-CG1 3.78Å
165	G	96.6	Very high	98.1	Very high	16 Å²	16	29.2 Å²	29.2	17%	0.165	15%	0.146	C	C	.	.	S	Bend	trans	-96.9	-171.9	-178.2	0	0	0	0	0	115.1	A167 S168 F169	G165-A167 VanDerWaalsContact C-N 3.31Å; G165-A167 PolarHBondContact O-N 3.44Å; G165-S168 PolarHBondContact O-N 3.31Å; G165-F169 PolarHBondContact O-N 3.23Å; G165-F169 VanDerWaalsContact O-N 3.09Å
166	T	98.5	Very high	98.3	Very high	14 Å²	14	24 Å²	24	9%	0.086	12%	0.12	C	C	.	.	H	α-helix	trans	-51.2	-42.8	179	-50.6	0	0	0	0	114	S170 F230 A473 V474	T166-S170 WeakPolarHBondContact O-CB 3.28Å; T166-S170 PolarHBondContact O-N 2.86Å; T166-S170 PolarHBondContact O-OG 3.43Å; T166-F230 HydrophobicContact CG2-CZ 3.84Å; T166-A473 HydrophobicContact CG2-CB 3.93Å; T166-V474 HydrophobicContact CG2-CB 4.49Å; T166-V474 HydrophobicContact CG2-CG2 3.43Å; T166-V474 VanDerWaalsContact CG2-CG2 3.43Å
167	A	98.8	Very high	98.3	Very high	6 Å²	6	21.7 Å²	21.7	5%	0.05	13%	0.129	C	C	.	.	H	α-helix	trans	-68	-46	-176.8	0	0	0	0	0	112.3	G165 S170 A171 A284 A451 A473 G477	G165-A167 VanDerWaalsContact C-N 3.31Å; G165-A167 PolarHBondContact O-N 3.44Å; A167-S170 PolarHBondContact O-N 3.28Å; A167-A171 WeakPolarHBondContact O-CB 3.39Å; A167-A171 PolarHBondContact O-N 2.9Å; A167-A284 HydrophobicContact CB-CB 3.93Å; A167-A451 HydrophobicContact CB-CB 3.95Å; A167-A473 VanDerWaalsContact CA-O 3.3Å; A167-A473 WeakPolarHBondContact CA-O 2.93Å; A167-A473 HydrophobicContact CB-CB 4.24Å; A167-G477 WeakPolarHBondContact O-CA 3.43Å
168	S	98.7	Very high	98.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-42.4	175.1	-69	0	0	0	0	112.4	L161 G163 G165 S170 A171 A172 A284	L161-S168 WeakPolarHBondContact CD1-O 3.5Å; G163-S168 WeakPolarHBondContact O-CB 3.29Å; G163-S168 PolarHBondContact O-OG 3.43Å; G165-S168 PolarHBondContact O-N 3.31Å; S168-S170 VanDerWaalsContact C-N 3.32Å; S168-S170 PolarHBondContact O-N 2.73Å; S168-A171 PolarHBondContact O-N 3.31Å; S168-A172 WeakPolarHBondContact O-CB 3.44Å; S168-A172 PolarHBondContact O-N 3.37Å; S168-A284 VanDerWaalsContact OG-CB 3.3Å; S168-A284 WeakPolarHBondContact OG-CB 3.06Å
169	F	98.7	Very high	98.3	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.035	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-45.3	176.4	178.7	-96.1	0	0	0	111.4	G165 A171 A172 R173 P194 F230 E231 F235 Y236	G165-F169 PolarHBondContact O-N 3.23Å; G165-F169 VanDerWaalsContact O-N 3.09Å; F169-A171 VanDerWaalsContact C-N 3.35Å; F169-A171 PolarHBondContact O-N 3.13Å; F169-A172 PolarHBondContact O-N 3.03Å; F169-R173 PolarHBondContact O-N 2.85Å; F169-P194 HydrophobicContact CB-CB 3.94Å; F169-P194 HydrophobicContact CD2-CB 4.13Å; F169-P194 HydrophobicContact CG-CB 4.32Å; F169-F230 HydrophobicContact CB-CD2 3.84Å; F169-F230 HydrophobicContact CB-CE2 4.19Å; F169-F230 HydrophobicContact CD1-CB 3.65Å; F169-F230 HydrophobicContact CD1-CD1 4.1Å; F169-F230 AromaticContact CD1-CD2 3.67Å; F169-F230 HydrophobicContact CD1-CD2 3.67Å; F169-F230 HydrophobicContact CD1-CE2 4.35Å; F169-F230 AromaticContact CD1-CG 3.54Å; F169-F230 HydrophobicContact CD1-CG 3.54Å; F169-F230 HydrophobicContact CD2-CB 3.91Å; F169-F230 HydrophobicContact CD2-CD2 4.18Å; F169-F230 HydrophobicContact CD2-CG 4.35Å; F169-F230 HydrophobicContact CE1-CB 3.42Å; F169-F230 VanDerWaalsContact CE1-CB 3.42Å; F169-F230 HydrophobicContact CE1-CD1 4.22Å; F169-F230 HydrophobicContact CE1-CD2 4.34Å; F169-F230 AromaticContact CE1-CG 3.77Å; F169-F230 HydrophobicContact CE1-CG 3.77Å; F169-F230 HydrophobicContact CE2-CB 3.68Å; F169-F230 HydrophobicContact CG-CB 3.91Å; F169-F230 AromaticContact CG-CD2 3.59Å; F169-F230 HydrophobicContact CG-CD2 3.59Å; F169-F230 HydrophobicContact CG-CE2 4.35Å; F169-F230 AromaticContact CG-CG 3.88Å; F169-F230 HydrophobicContact CG-CG 3.88Å; F169-F230 HydrophobicContact CZ-CB 3.45Å; F169-F230 VanDerWaalsContact CZ-CB 3.45Å; F169-F230 HydrophobicContact CZ-CG 4.28Å; F169-E231 HydrophobicContact CE2-CB 4.3Å; F169-E231 HydrophobicContact CE2-CG 3.76Å; F169-E231 HydrophobicContact CZ-CG 3.61Å; F169-F235 HydrophobicContact CE2-CE1 4.21Å; F169-Y236 WeakPolarHBondContact CE2-OH 3.28Å
170	S	98.7	Very high	98.2	Very high	14 Å²	14	27 Å²	27	10%	0.098	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-39.5	178.2	-58.1	0	0	0	0	112.2	T166 A167 S168 A174 V474	T166-S170 WeakPolarHBondContact O-CB 3.28Å; T166-S170 PolarHBondContact O-N 2.86Å; T166-S170 PolarHBondContact O-OG 3.43Å; A167-S170 PolarHBondContact O-N 3.28Å; S168-S170 VanDerWaalsContact C-N 3.32Å; S168-S170 PolarHBondContact O-N 2.73Å; S170-A174 WeakPolarHBondContact O-CB 3.44Å; S170-A174 PolarHBondContact O-N 3.08Å; S170-V474 WeakPolarHBondContact CB-O 3.4Å; S170-V474 WeakPolarHBondContact OG-CA 3.33Å
171	A	98.9	Very high	98.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.3	-45.7	174.6	0	0	0	0	0	112.1	L161 A167 S168 F169 R173 A174 I175 L282 G477	L161-A171 HydrophobicContact CD1-CB 4.08Å; A167-A171 WeakPolarHBondContact O-CB 3.39Å; A167-A171 PolarHBondContact O-N 2.9Å; S168-A171 PolarHBondContact O-N 3.31Å; F169-A171 VanDerWaalsContact C-N 3.35Å; F169-A171 PolarHBondContact O-N 3.13Å; A171-R173 VanDerWaalsContact C-N 3.32Å; A171-R173 PolarHBondContact O-N 3.09Å; A171-A174 PolarHBondContact O-N 3Å; A171-I175 VanDerWaalsContact O-CG1 3.27Å; A171-I175 WeakPolarHBondContact O-CG1 3.48Å; A171-I175 PolarHBondContact O-N 2.92Å; A171-L282 HydrophobicContact CB-CD2 3.31Å; A171-G477 WeakPolarHBondContact CA-O 3.42Å; A171-G477 WeakPolarHBondContact CB-O 3.48Å
172	A	98.8	Very high	98	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.9	-44.6	178.3	0	0	0	0	0	111.5	L161 S168 F169 I175 R176 V184 I186 I250	L161-A172 HydrophobicContact CD1-CB 3.71Å; S168-A172 WeakPolarHBondContact O-CB 3.44Å; S168-A172 PolarHBondContact O-N 3.37Å; F169-A172 PolarHBondContact O-N 3.03Å; A172-I175 PolarHBondContact O-N 2.71Å; A172-R176 WeakPolarHBondContact O-CB 3.21Å; A172-R176 WeakPolarHBondContact O-CG 3.47Å; A172-R176 PolarHBondContact O-N 2.83Å; A172-V184 HydrophobicContact CB-CG1 3.96Å; A172-I186 HydrophobicContact CB-CD1 3.96Å; A172-I250 HydrophobicContact CB-CD1 3.72Å; A172-I250 HydrophobicContact CB-CG1 4.12Å; A172-I250 HydrophobicContact CB-CG2 4.18Å
173	R	98.5	Very high	98	Very high	145 Å²	145	33.9 Å²	33.9	55%	0.547	20%	0.196	S	C	.	.	H	α-helix	trans	-63.7	-41.6	176.2	-165.7	174.4	-171.2	153.9	7.3	111.9	F169 A171 G177 E231	F169-R173 PolarHBondContact O-N 2.85Å; A171-R173 VanDerWaalsContact C-N 3.32Å; A171-R173 PolarHBondContact O-N 3.09Å; R173-G177 PolarHBondContact O-N 3.3Å; R173-E231 IonicContact NH1-OE1 3.65Å
174	A	98.7	Very high	98.1	Very high	13 Å²	13	33.4 Å²	33.4	11%	0.107	19%	0.19	C	C	.	.	H	α-helix	trans	-65.4	-42.7	177.8	0	0	0	0	0	112.6	S170 A171 G177 L178 R478 E482	S170-A174 WeakPolarHBondContact O-CB 3.44Å; S170-A174 PolarHBondContact O-N 3.08Å; A171-A174 PolarHBondContact O-N 3Å; A174-G177 PolarHBondContact O-N 2.72Å; A174-L178 PolarHBondContact O-N 3.03Å; A174-R478 HydrophobicContact CB-CB 4.36Å; A174-R478 HydrophobicContact CB-CG 3.87Å; A174-R478 WeakPolarHBondContact CB-O 3.29Å; A174-E482 HydrophobicContact CB-CG 4.33Å
175	I	98.8	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.5	-55.2	175.2	-69.9	162.2	0	0	0	109.3	Y159 L161 A171 A172 G177 L178 D179 A182 V184 G481 M484 V485	Y159-I175 HydrophobicContact CD1-CD1 4.07Å; Y159-I175 HydrophobicContact CD1-CG2 4.33Å; Y159-I175 HydrophobicContact CD2-CG2 3.75Å; Y159-I175 HydrophobicContact CE1-CG2 4.32Å; Y159-I175 HydrophobicContact CE2-CG2 3.76Å; Y159-I175 HydrophobicContact CG-CD1 4.15Å; Y159-I175 HydrophobicContact CG-CG2 4.05Å; L161-I175 HydrophobicContact CD2-CD1 4.14Å; A171-I175 VanDerWaalsContact O-CG1 3.27Å; A171-I175 WeakPolarHBondContact O-CG1 3.48Å; A171-I175 PolarHBondContact O-N 2.92Å; A172-I175 PolarHBondContact O-N 2.71Å; I175-G177 VanDerWaalsContact C-N 3.29Å; I175-G177 PolarHBondContact O-N 3.3Å; I175-L178 PolarHBondContact O-N 3.41Å; I175-L178 VanDerWaalsContact O-N 3.08Å; I175-D179 PolarHBondContact O-N 3.33Å; I175-A182 HydrophobicContact CG2-CB 3.51Å; I175-V184 HydrophobicContact CB-CG2 4.31Å; I175-V184 HydrophobicContact CG2-CG2 3.77Å; I175-G481 WeakPolarHBondContact CG1-O 3.26Å; I175-M484 HydrophobicContact CD1-CB 4.43Å; I175-M484 HydrophobicContact CD1-CE 4.01Å; I175-M484 HydrophobicContact CD1-SD 4.12Å; I175-M484 HydrophobicContact CG1-CB 4.5Å; I175-V485 HydrophobicContact CG2-CG1 4.11Å
176	R	98.1	Very high	98.2	Very high	61 Å²	61	32.3 Å²	32.3	23%	0.23	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-34.5	-179.8	-71.8	-68.9	-61.3	157.8	6.7	113.5	A172 L178 D179 A180 A182 V184 H247 I250	A172-R176 WeakPolarHBondContact O-CB 3.21Å; A172-R176 WeakPolarHBondContact O-CG 3.47Å; A172-R176 PolarHBondContact O-N 2.83Å; R176-L178 VanDerWaalsContact C-N 3.26Å; R176-L178 PolarHBondContact O-N 2.97Å; R176-D179 WeakPolarHBondContact CA-O 3.19Å; R176-D179 CarbonylContact O-C 3.5Å; R176-A180 PolarHBondContact NH1-O 3.28Å; R176-A180 PolarHBondContact NH2-O 3.46Å; R176-A182 WeakPolarHBondContact CD-O 3.44Å; R176-A182 PolarHBondContact NH1-O 3.49Å; R176-V184 HydrophobicContact CG-CG2 4.42Å; R176-H247 PolarHBondContact NH1-O 2.79Å; R176-H247 PolarHBondContact NH2-O 3.31Å; R176-I250 HydrophobicContact CG-CD1 3.81Å; R176-I250 HydrophobicContact CG-CG1 3.73Å
177	G	97.9	Very high	98.2	Very high	68 Å²	68	31.6 Å²	31.6	70%	0.701	18%	0.176	S	C	*	.	H	α-helix	trans	-69.4	-22.1	177.3	0	0	0	0	0	113.9	R173 A174 I175	R173-G177 PolarHBondContact O-N 3.3Å; A174-G177 PolarHBondContact O-N 2.72Å; I175-G177 VanDerWaalsContact C-N 3.29Å; I175-G177 PolarHBondContact O-N 3.3Å
178	L	98.1	Very high	98.1	Very high	84 Å²	84	31.6 Å²	31.6	44%	0.44	18%	0.176	S	C	.	.	H	α-helix	trans	-106.8	-25	179.7	-72.3	175.8	0	0	0	113.4	A174 I175 R176 E482 V485 K487	A174-L178 PolarHBondContact O-N 3.03Å; I175-L178 PolarHBondContact O-N 3.41Å; I175-L178 VanDerWaalsContact O-N 3.08Å; R176-L178 VanDerWaalsContact C-N 3.26Å; R176-L178 PolarHBondContact O-N 2.97Å; L178-E482 HydrophobicContact CD1-CB 4.05Å; L178-E482 HydrophobicContact CD1-CG 3.74Å; L178-V485 HydrophobicContact CB-CG2 3.75Å; L178-V485 HydrophobicContact CD1-CG2 3.46Å; L178-V485 VanDerWaalsContact CD1-CG2 3.46Å; L178-V485 HydrophobicContact CG-CG2 4.26Å; L178-K487 HydrophobicContact CD1-CG 4.03Å
179	D	97.7	Very high	97.8	Very high	53 Å²	53	32.8 Å²	32.8	28%	0.283	18%	0.182	S	C	.	.			trans	-132.6	92.7	176.4	179.2	1.5	0	0	0	108.2	Y159 I175 R176 E181 A182 V485	Y159-D179 PolarHBondContact OH-OD2 3.28Å; I175-D179 PolarHBondContact O-N 3.33Å; R176-D179 WeakPolarHBondContact CA-O 3.19Å; R176-D179 CarbonylContact O-C 3.5Å; D179-E181 PolarHBondContact O-N 3.4Å; D179-E181 VanDerWaalsContact O-N 3.13Å; D179-E181 PolarHBondContact OD1-N 3.2Å; D179-A182 HydrophobicContact CB-CB 3.97Å; D179-A182 WeakPolarHBondContact O-CB 3.45Å; D179-A182 PolarHBondContact O-N 2.91Å; D179-A182 VanDerWaalsContact O-N 3.09Å; D179-A182 PolarHBondContact OD1-N 3.37Å; D179-V485 HydrophobicContact CB-CG1 3.9Å
180	A	96	Very high	97.5	Very high	62 Å²	62	33 Å²	33	51%	0.512	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-6.8	-175.6	0	0	0	0	0	113.9	R176	R176-A180 PolarHBondContact NH1-O 3.28Å; R176-A180 PolarHBondContact NH2-O 3.46Å
181	E	96.6	Very high	97.1	Very high	98 Å²	98	35.9 Å²	35.9	46%	0.458	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-2.4	177.6	-63.8	-63.7	141.3	0	0	111.3	D179 K183 H247	D179-E181 PolarHBondContact O-N 3.4Å; D179-E181 VanDerWaalsContact O-N 3.13Å; D179-E181 PolarHBondContact OD1-N 3.2Å; E181-K183 PolarHBondContact O-N 2.88Å; E181-H247 IonicContact OE1-CG 2.56Å; E181-H247 IonicContact OE1-ND1 3.11Å; E181-H247 PolarHBondContact OE1-ND1 2.9Å; E181-H247 VanDerWaalsContact OE1-ND1 3.16Å; E181-H247 WeakPolarHBondContact OE2-CA 3.49Å
182	A	97.8	Very high	96.8	Very high	3 Å²	3	39 Å²	39	3%	0.025	22%	0.216	C	C	.	.			trans	-58.8	132.3	-178.5	0	0	0	0	0	112.1	Y159 I175 R176 D179 V184 G249	Y159-A182 HydrophobicContact CD2-CB 3.91Å; Y159-A182 HydrophobicContact CE2-CB 3.58Å; I175-A182 HydrophobicContact CG2-CB 3.51Å; R176-A182 WeakPolarHBondContact CD-O 3.44Å; R176-A182 PolarHBondContact NH1-O 3.49Å; D179-A182 HydrophobicContact CB-CB 3.97Å; D179-A182 WeakPolarHBondContact O-CB 3.45Å; D179-A182 PolarHBondContact O-N 2.91Å; D179-A182 VanDerWaalsContact O-N 3.09Å; D179-A182 PolarHBondContact OD1-N 3.37Å; A182-V184 HydrophobicContact CB-CG2 4.28Å; A182-G249 PolarHBondContact O-N 2.7Å
183	K	98.3	Very high	96.6	Very high	49 Å²	49	41.4 Å²	41.4	21%	0.213	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.6	168.1	-67.9	172.7	-176.6	172.2	0	108.4	I157 P158 Y159 E181 L242 D243 Q245	I157-K183 HydrophobicContact CD1-CB 3.75Å; P158-K183 HydrophobicContact CG-CB 4.3Å; Y159-K183 PolarHBondContact N-O 2.87Å; E181-K183 PolarHBondContact O-N 2.88Å; K183-L242 HydrophobicContact CB-CD1 4.38Å; K183-L242 HydrophobicContact CB-CD2 4.29Å; K183-L242 HydrophobicContact CB-CG 4.13Å; K183-L242 WeakPolarHBondContact CD-O 3.42Å; K183-L242 VanDerWaalsContact CE-O 3.31Å; K183-L242 WeakPolarHBondContact CE-O 3.43Å; K183-L242 HydrophobicContact CG-CD1 4.34Å; K183-L242 HydrophobicContact CG-CG 4.29Å; K183-D243 PolarHBondContact NZ-O 3.13Å; K183-Q245 WeakPolarHBondContact CE-O 3.48Å
184	V	98.7	Very high	96.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126	-175.1	-173.3	0	0	0	0	109.2	Y159 L161 A172 I175 R176 A182 G249 I250 S251	Y159-V184 HydrophobicContact CD2-CG2 4.22Å; Y159-V184 WeakPolarHBondContact O-CA 2.94Å; L161-V184 HydrophobicContact CD1-CG1 3.58Å; L161-V184 HydrophobicContact CD2-CG1 4.44Å; L161-V184 HydrophobicContact CG-CG1 3.75Å; A172-V184 HydrophobicContact CB-CG1 3.96Å; I175-V184 HydrophobicContact CB-CG2 4.31Å; I175-V184 HydrophobicContact CG2-CG2 3.77Å; R176-V184 HydrophobicContact CG-CG2 4.42Å; A182-V184 HydrophobicContact CB-CG2 4.28Å; V184-G249 PolarHBondContact N-O 2.97Å; V184-I250 HydrophobicContact CB-CG1 4.24Å; V184-I250 WeakPolarHBondContact O-CA 3.31Å; V184-S251 PolarHBondContact O-N 3.3Å
185	L	98.5	Very high	96.5	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119	174.4	-172.3	69.6	0	0	0	109.9	P154 I157 Y159 L160 L161 V187 P239 V253 I276	P154-L185 HydrophobicContact CG-CD2 4.01Å; I157-L185 HydrophobicContact CB-CB 4.47Å; I157-L185 HydrophobicContact CD1-CB 4.25Å; I157-L185 HydrophobicContact CG1-CB 3.81Å; I157-L185 HydrophobicContact CG2-CB 4.42Å; Y159-L185 PolarHBondContact O-N 2.87Å; L160-L185 HydrophobicContact CD1-CB 4.48Å; L160-L185 HydrophobicContact CD1-CD2 4.33Å; L161-L185 PolarHBondContact N-O 2.84Å; L185-V187 HydrophobicContact CD2-CG2 4Å; L185-V187 HydrophobicContact CG-CG2 3.96Å; L185-P239 HydrophobicContact CD1-CB 4.28Å; L185-V253 HydrophobicContact CD1-CG2 3.64Å; L185-V253 HydrophobicContact CG-CG2 4.27Å; L185-I276 HydrophobicContact CD2-CD1 3.82Å; L185-I276 HydrophobicContact CD2-CG2 4.39Å
186	I	98.5	Very high	96.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.5	171.8	-49.8	-175	0	0	0	108.2	L161 G163 T164 A172 I250 S251 V252 V253	L161-I186 HydrophobicContact CB-CG1 4.27Å; L161-I186 HydrophobicContact CD1-CD1 4.4Å; L161-I186 HydrophobicContact CD1-CG1 4.08Å; L161-I186 HydrophobicContact CG-CG1 4.47Å; L161-I186 CarbonylContact O-C 3.52Å; L161-I186 WeakPolarHBondContact O-CA 3.37Å; G163-I186 VanDerWaalsContact O-CG2 3.26Å; G163-I186 WeakPolarHBondContact O-CG2 3.43Å; T164-I186 HydrophobicContact CG2-CG2 3.77Å; A172-I186 HydrophobicContact CB-CD1 3.96Å; I186-I250 HydrophobicContact CD1-CG2 3.91Å; I186-I250 HydrophobicContact CG1-CG2 4.16Å; I186-S251 PolarHBondContact N-O 3.02Å; I186-V252 HydrophobicContact CB-CG1 4.43Å; I186-V252 HydrophobicContact CB-CG2 4.25Å; I186-V252 HydrophobicContact CD1-CG2 4.29Å; I186-V252 CarbonylContact O-C 3.46Å; I186-V252 WeakPolarHBondContact O-CA 3.5Å; I186-V253 PolarHBondContact O-N 3.33Å
187	V	97.7	Very high	96.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.2	177.9	-175.1	0	0	0	0	109.6	L160 L161 G163 L185 V253 R256 V258 L270 I276	L160-V187 HydrophobicContact CD1-CG2 3.86Å; L161-V187 PolarHBondContact O-N 2.69Å; G163-V187 PolarHBondContact N-O 2.9Å; L185-V187 HydrophobicContact CD2-CG2 4Å; L185-V187 HydrophobicContact CG-CG2 3.96Å; V187-V253 WeakPolarHBondContact CA-O 3.44Å; V187-V253 HydrophobicContact CG1-CB 4.3Å; V187-V253 HydrophobicContact CG2-CB 4.17Å; V187-V253 HydrophobicContact CG2-CG2 4.24Å; V187-R256 HydrophobicContact CG1-CB 3.88Å; V187-V258 HydrophobicContact CB-CG2 4.46Å; V187-V258 HydrophobicContact CG1-CG2 4.29Å; V187-L270 HydrophobicContact CG1-CD2 3.83Å; V187-I276 HydrophobicContact CG2-CD1 4.31Å
188	G	95.9	Very high	96.3	Very high	5 Å²	5	31.1 Å²	31.1	5%	0.052	17%	0.166	C	C	.	.			trans	-156.3	155.8	-179.9	0	0	0	0	0	113.6	V253 N254 G255 R256	G188-V253 PolarHBondContact N-O 3.15Å; G188-N254 CarbonylContact O-C 3.58Å; G188-N254 WeakPolarHBondContact O-CA 3.28Å; G188-G255 PolarHBondContact O-N 2.92Å; G188-R256 CarbonylContact C-O 3.56Å; G188-R256 WeakPolarHBondContact CA-O 3.45Å; G188-R256 PolarHBondContact O-N 2.86Å
189	E	92.9	Very high	96.3	Very high	26 Å²	26	27.3 Å²	27.3	12%	0.121	15%	0.146	C	C	.	.	S	Bend	trans	-79.2	-20.2	-171.9	59.2	-172.4	-179	0	0	114	N139 Y143 L145 G255 R256 R257	N139-E189 PolarHBondContact ND2-OE1 3.13Å; Y143-E189 HydrophobicContact CD2-CB 4Å; Y143-E189 HydrophobicContact CD2-CG 3.45Å; Y143-E189 VanDerWaalsContact CD2-CG 3.45Å; Y143-E189 WeakPolarHBondContact CD2-OE1 2.99Å; Y143-E189 HydrophobicContact CE2-CG 3.65Å; Y143-E189 WeakPolarHBondContact CE2-OE1 3.44Å; Y143-E189 HydrophobicContact CG-CB 4.16Å; Y143-E189 HydrophobicContact CG-CG 3.96Å; L145-E189 HydrophobicContact CD2-CB 4.1Å; E189-G255 WeakPolarHBondContact O-CA 3.47Å; E189-R256 WeakPolarHBondContact CA-O 3.25Å; E189-R256 PolarHBondContact N-O 3.4Å; E189-R256 VanDerWaalsContact N-O 3.1Å; E189-R257 HydrophobicContact CB-CB 4.47Å; E189-R257 IonicContact OE2-CZ 3.79Å; E189-R257 IonicContact OE2-NE 3.99Å; E189-R257 PolarHBondContact OE2-NE 2.98Å; E189-R257 IonicContact OE2-NH2 3.99Å; E189-R257 PolarHBondContact OE2-NH2 2.76Å
190	E	91.8	Very high	96.3	Very high	12 Å²	12	25 Å²	25	6%	0.056	13%	0.134	C	C	.	.	S	Bend	trans	-65.9	144.6	174.3	-65.5	-161.3	-142.9	0	0	110.6	Y143 Y192 Y195 R197 N254 G255	Y143-E190 HydrophobicContact CD1-CG 4.35Å; Y143-E190 HydrophobicContact CE1-CG 3.71Å; E190-Y192 VanDerWaalsContact C-N 3.25Å; E190-Y192 PolarHBondContact O-N 3.26Å; E190-Y195 WeakPolarHBondContact OE2-CE1 3.01Å; E190-Y195 VanDerWaalsContact OE2-CZ 3.28Å; E190-Y195 PolarHBondContact OE2-OH 2.89Å; E190-R197 IonicContact OE1-CZ 2.77Å; E190-R197 IonicContact OE1-NH1 3.09Å; E190-R197 PolarHBondContact OE1-NH1 2.65Å; E190-R197 IonicContact OE1-NH2 3.2Å; E190-R197 PolarHBondContact OE1-NH2 3.29Å; E190-N254 WeakPolarHBondContact O-CA 3.17Å; E190-N254 WeakPolarHBondContact O-CB 3.21Å; E190-G255 PolarHBondContact O-N 3.14Å
191	S	90.3	Very high	96.4	Very high	75 Å²	75	22.4 Å²	22.4	52%	0.524	11%	0.112	S	C	.	.	S	Bend	trans	-76	-16.7	178.3	-50.8	0	0	0	0	113	N254	S191-N254 PolarHBondContact O-ND2 3.01Å; S191-N254 VanDerWaalsContact O-ND2 3.07Å
192	Y	92.6	Very high	96.3	Very high	65 Å²	65	18.2 Å²	18.2	26%	0.255	9%	0.092	S	C	.	.	S	Bend	trans	-96.8	147.7	-173.4	-61.1	-80.1	0	0	0	111.9	E190 L216 Y229 N254 V312	E190-Y192 VanDerWaalsContact C-N 3.25Å; E190-Y192 PolarHBondContact O-N 3.26Å; Y192-L216 HydrophobicContact CD1-CD1 4.25Å; Y192-L216 HydrophobicContact CE1-CD1 4.17Å; Y192-Y229 WeakPolarHBondContact CD1-OH 3.41Å; Y192-N254 PolarHBondContact O-ND2 3.31Å; Y192-N254 VanDerWaalsContact O-ND2 3.1Å; Y192-N254 PolarHBondContact O-OD1 3.33Å; Y192-V312 HydrophobicContact CD1-CG1 4.21Å; Y192-V312 HydrophobicContact CD2-CB 3.87Å; Y192-V312 HydrophobicContact CD2-CG1 4.04Å; Y192-V312 HydrophobicContact CD2-CG2 4.49Å; Y192-V312 HydrophobicContact CE1-CG1 3.73Å; Y192-V312 HydrophobicContact CE2-CB 3.76Å; Y192-V312 HydrophobicContact CE2-CG1 3.56Å; Y192-V312 HydrophobicContact CG-CB 4.33Å; Y192-V312 HydrophobicContact CG-CG1 4.34Å
193	K	94.6	Very high	96.2	Very high	50 Å²	50	18.4 Å²	18.4	22%	0.217	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-61.9	162.4	172	-64.6	-67.4	-175.7	174.1	0	110.5	Y195 Y229 D233 Y236 V252 N254	K193-Y195 VanDerWaalsContact O-CD1 3.28Å; K193-Y195 WeakPolarHBondContact O-CD1 3.35Å; K193-Y195 PolarHBondContact O-N 3.17Å; K193-Y229 HydrophobicContact CB-CD1 4.02Å; K193-Y229 HydrophobicContact CB-CE1 4.17Å; K193-D233 WeakPolarHBondContact CG-OD1 3.28Å; K193-Y236 HydrophobicContact CB-CE2 4.45Å; K193-Y236 HydrophobicContact CD-CD2 4.22Å; K193-Y236 HydrophobicContact CD-CE2 4.4Å; K193-V252 HydrophobicContact CD-CB 4.18Å; K193-V252 HydrophobicContact CD-CG1 4.29Å; K193-N254 PolarHBondContact N-ND2 2.86Å; K193-N254 VanDerWaalsContact N-ND2 3.15Å
194	P	97.7	Very high	96.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-53.6	128.2	-179.4	-27.2	35.7	0	0	0	113.7	T164 F169 F230 V252	T164-P194 VanDerWaalsContact O-CA 3.31Å; T164-P194 WeakPolarHBondContact O-CA 3.48Å; F169-P194 HydrophobicContact CB-CB 3.94Å; F169-P194 HydrophobicContact CD2-CB 4.13Å; F169-P194 HydrophobicContact CG-CB 4.32Å; P194-F230 HydrophobicContact CB-CD2 3.87Å; P194-F230 HydrophobicContact CB-CE2 4.44Å; P194-F230 WeakPolarHBondContact O-CD2 3.36Å; P194-F230 PolarHBondContact O-N 3.4Å; P194-F230 VanDerWaalsContact O-N 3.11Å; P194-V252 HydrophobicContact CG-CG2 4.33Å
195	Y	97.8	Very high	95.9	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.016	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-141.3	161.4	-176.3	67.6	-90.8	0	0	0	112.3	E190 K193 R197 L200 I228 F230 D311 V312	E190-Y195 WeakPolarHBondContact OE2-CE1 3.01Å; E190-Y195 VanDerWaalsContact OE2-CZ 3.28Å; E190-Y195 PolarHBondContact OE2-OH 2.89Å; K193-Y195 VanDerWaalsContact O-CD1 3.28Å; K193-Y195 WeakPolarHBondContact O-CD1 3.35Å; K193-Y195 PolarHBondContact O-N 3.17Å; Y195-R197 HydrophobicContact CD2-CG 4.47Å; Y195-R197 HydrophobicContact CE2-CG 3.91Å; Y195-R197 PolarHBondContact OH-NH1 3.47Å; Y195-L200 HydrophobicContact CE2-CD1 3.95Å; Y195-I228 CarbonylContact C-O 3.6Å; Y195-I228 VanDerWaalsContact CA-O 3.29Å; Y195-I228 WeakPolarHBondContact CA-O 3.47Å; Y195-I228 VanDerWaalsContact CB-O 3.31Å; Y195-I228 WeakPolarHBondContact CB-O 3.49Å; Y195-I228 HydrophobicContact CD2-CD1 3.79Å; Y195-I228 HydrophobicContact CD2-CG1 4.06Å; Y195-I228 HydrophobicContact CE2-CD1 4.43Å; Y195-F230 VanDerWaalsContact O-CE2 3.25Å; Y195-F230 WeakPolarHBondContact O-CE2 3.47Å; Y195-D311 WeakPolarHBondContact OH-CA 3.38Å; Y195-D311 VanDerWaalsContact OH-CB 3.26Å; Y195-D311 WeakPolarHBondContact OH-CB 3.32Å; Y195-V312 HydrophobicContact CD1-CG2 4.37Å; Y195-V312 HydrophobicContact CD2-CG2 4.13Å; Y195-V312 HydrophobicContact CE1-CG2 4.05Å; Y195-V312 HydrophobicContact CE2-CG2 3.77Å; Y195-V312 HydrophobicContact CG-CG2 4.43Å; Y195-V312 PolarHBondContact OH-N 2.7Å
196	M	96.4	Very high	95.6	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.02	9%	0.093	C	C	.	.			trans	-87.5	131.2	175.9	69.8	-173.6	76.3	0	0	111.4	P199 F218 I228 F230 V543	M196-P199 HydrophobicContact CG-CG 3.87Å; M196-P199 HydrophobicContact SD-CG 4.04Å; M196-F218 HydrophobicContact SD-CZ 4.45Å; M196-I228 HydrophobicContact CG-CG1 3.98Å; M196-I228 WeakPolarHBondContact CG-O 3.48Å; M196-I228 PolarHBondContact N-O 2.98Å; M196-I228 WeakPolarHBondContact O-CD1 3.28Å; M196-I228 WeakPolarHBondContact O-CG1 3.33Å; M196-F230 HydrophobicContact CB-CE1 3.78Å; M196-F230 HydrophobicContact CB-CZ 3.88Å; M196-F230 HydrophobicContact CE-CD1 4.31Å; M196-F230 HydrophobicContact CE-CE1 4.36Å; M196-V543 HydrophobicContact SD-CG2 3.87Å
197	R	97.6	Very high	95.3	Very high	43 Å²	43	18.4 Å²	18.4	16%	0.162	9%	0.093	C	C	.	.	S	Bend	trans	-80.8	-27.5	-179	-58.5	-173.9	-171.9	-88.5	-2.1	116.6	E190 Y195 P199 L200 R310	E190-R197 IonicContact OE1-CZ 2.77Å; E190-R197 IonicContact OE1-NH1 3.09Å; E190-R197 PolarHBondContact OE1-NH1 2.65Å; E190-R197 IonicContact OE1-NH2 3.2Å; E190-R197 PolarHBondContact OE1-NH2 3.29Å; Y195-R197 HydrophobicContact CD2-CG 4.47Å; Y195-R197 HydrophobicContact CE2-CG 3.91Å; Y195-R197 PolarHBondContact OH-NH1 3.47Å; R197-P199 VanDerWaalsContact C-CD 3.44Å; R197-P199 VanDerWaalsContact C-N 3.34Å; R197-L200 HydrophobicContact CB-CD1 4.43Å; R197-L200 VanDerWaalsContact O-CB 3.3Å; R197-L200 WeakPolarHBondContact O-CB 3.38Å; R197-L200 WeakPolarHBondContact O-CG 3.29Å; R197-L200 PolarHBondContact O-N 3.33Å; R197-R310 PolarHBondContact NH1-O 2.91Å; R197-R310 VanDerWaalsContact NH1-O 3.07Å
198	P	97.4	Very high	94.7	Very high	21 Å²	21	26.7 Å²	26.7	14%	0.136	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-52.6	-39	-174.5	-27.5	34.1	0	0	0	116	L200 K202 H470 W498	P198-L200 PolarHBondContact O-N 2.88Å; P198-K202 PolarHBondContact O-NZ 2.91Å; P198-H470 HydrophobicContact CG-CB 4.27Å; P198-W498 HydrophobicContact CB-CZ2 3.89Å; P198-W498 HydrophobicContact CG-CH2 3.97Å; P198-W498 HydrophobicContact CG-CZ2 3.8Å
199	P	97.3	Very high	94.5	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.019	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-65.8	-21.5	178.9	-24.3	36.2	0	0	0	114.5	M196 R197 S201 K202 E203 L204 F218 I228	M196-P199 HydrophobicContact CG-CG 3.87Å; M196-P199 HydrophobicContact SD-CG 4.04Å; R197-P199 VanDerWaalsContact C-CD 3.44Å; R197-P199 VanDerWaalsContact C-N 3.34Å; P199-S201 VanDerWaalsContact C-N 3.27Å; P199-S201 PolarHBondContact O-N 3.45Å; P199-K202 CarbonylContact O-C 3.53Å; P199-K202 PolarHBondContact O-N 2.94Å; P199-E203 WeakPolarHBondContact CA-OE2 3.4Å; P199-L204 HydrophobicContact CB-CD1 4.37Å; P199-L204 HydrophobicContact CB-CG 4.42Å; P199-L204 WeakPolarHBondContact O-CB 3.25Å; P199-L204 PolarHBondContact O-N 2.72Å; P199-F218 HydrophobicContact CB-CD1 3.88Å; P199-F218 HydrophobicContact CB-CD2 4.33Å; P199-F218 HydrophobicContact CB-CE1 3.77Å; P199-F218 HydrophobicContact CB-CE2 4.2Å; P199-F218 HydrophobicContact CB-CG 4.16Å; P199-F218 HydrophobicContact CB-CZ 3.93Å; P199-F218 HydrophobicContact CG-CD1 4.22Å; P199-F218 HydrophobicContact CG-CE1 3.58Å; P199-F218 HydrophobicContact CG-CE2 4.02Å; P199-F218 HydrophobicContact CG-CZ 3.45Å; P199-F218 VanDerWaalsContact CG-CZ 3.45Å; P199-I228 HydrophobicContact CG-CG1 4.49Å
200	L	97.6	Very high	94.4	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-58.3	-38.7	-178.5	-65.8	-178.9	0	0	0	111.9	Y195 R197 P198 L204 W205 I228 Y309 V312 F315	Y195-L200 HydrophobicContact CE2-CD1 3.95Å; R197-L200 HydrophobicContact CB-CD1 4.43Å; R197-L200 VanDerWaalsContact O-CB 3.3Å; R197-L200 WeakPolarHBondContact O-CB 3.38Å; R197-L200 WeakPolarHBondContact O-CG 3.29Å; R197-L200 PolarHBondContact O-N 3.33Å; P198-L200 PolarHBondContact O-N 2.88Å; L200-L204 HydrophobicContact CD2-CD1 3.83Å; L200-W205 PolarHBondContact O-NE1 2.96Å; L200-I228 HydrophobicContact CD2-CD1 3.4Å; L200-I228 VanDerWaalsContact CD2-CD1 3.4Å; L200-I228 HydrophobicContact CG-CD1 3.81Å; L200-Y309 HydrophobicContact CB-CE1 4.2Å; L200-Y309 PolarHBondContact O-OH 3.43Å; L200-V312 HydrophobicContact CD2-CG2 4.08Å; L200-F315 HydrophobicContact CD2-CB 3.91Å; L200-F315 HydrophobicContact CD2-CG 4.26Å
201	S	97.4	Very high	94.4	Very high	8 Å²	8	39 Å²	39	6%	0.056	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-100	1.5	179.3	51.2	0	0	0	0	114.1	P199 E339	P199-S201 VanDerWaalsContact C-N 3.27Å; P199-S201 PolarHBondContact O-N 3.45Å; S201-E339 WeakPolarHBondContact CB-OE2 3.36Å; S201-E339 PolarHBondContact OG-OE2 3.02Å
202	K	95.8	Very high	94.6	Very high	10 Å²	10	36.3 Å²	36.3	4%	0.043	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-110.1	-172.5	-64.7	174.1	-165.3	57.6	0	110.6	P198 P199 L204 W205 F206 W221 E339 D500	P198-K202 PolarHBondContact O-NZ 2.91Å; P199-K202 CarbonylContact O-C 3.53Å; P199-K202 PolarHBondContact O-N 2.94Å; K202-L204 VanDerWaalsContact C-N 3.27Å; K202-L204 PolarHBondContact O-N 3.02Å; K202-L204 VanDerWaalsContact O-N 3.12Å; K202-W205 WeakPolarHBondContact O-CB 3.48Å; K202-W205 PolarHBondContact O-N 3.03Å; K202-F206 WeakPolarHBondContact O-CD2 3.3Å; K202-W221 HydrophobicContact CB-CZ2 4.43Å; K202-E339 WeakPolarHBondContact CE-OE1 3.43Å; K202-E339 IonicContact NZ-OE1 2.8Å; K202-E339 PolarHBondContact NZ-OE1 3.31Å; K202-E339 IonicContact NZ-OE2 3.16Å; K202-E339 PolarHBondContact NZ-OE2 3.15Å; K202-D500 HydrophobicContact CD-CB 4.21Å
203	E	95.8	Very high	94.6	Very high	7 Å²	7	33.3 Å²	33.3	3%	0.033	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-55.7	-35.9	-165.7	-65.2	90.5	158.4	0	0	113.6	P199 W205 F206 T207 F218 W221	P199-E203 WeakPolarHBondContact CA-OE2 3.4Å; E203-W205 PolarHBondContact O-N 3.3Å; E203-W205 VanDerWaalsContact O-N 3.1Å; E203-F206 CarbonylContact O-C 3.58Å; E203-F206 WeakPolarHBondContact O-CA 3.44Å; E203-F206 PolarHBondContact O-N 2.84Å; E203-T207 PolarHBondContact O-N 2.85Å; E203-T207 PolarHBondContact O-OG1 2.91Å; E203-F218 HydrophobicContact CB-CB 4.05Å; E203-F218 HydrophobicContact CB-CD2 3.44Å; E203-F218 VanDerWaalsContact CB-CD2 3.44Å; E203-F218 HydrophobicContact CB-CE2 4.21Å; E203-F218 HydrophobicContact CB-CG 4.06Å; E203-F218 HydrophobicContact CG-CD2 3.94Å; E203-F218 HydrophobicContact CG-CE2 4.29Å; E203-W221 HydrophobicContact CG-CD2 4.29Å; E203-W221 HydrophobicContact CG-CH2 4.28Å; E203-W221 HydrophobicContact CG-CZ2 4.04Å
204	L	96.2	Very high	94.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-57.9	-28.2	177	-79.5	168.2	0	0	0	113.1	P199 L200 K202 F206 A213 K217 F218 I228 F315 R347	P199-L204 HydrophobicContact CB-CD1 4.37Å; P199-L204 HydrophobicContact CB-CG 4.42Å; P199-L204 WeakPolarHBondContact O-CB 3.25Å; P199-L204 PolarHBondContact O-N 2.72Å; L200-L204 HydrophobicContact CD2-CD1 3.83Å; K202-L204 VanDerWaalsContact C-N 3.27Å; K202-L204 PolarHBondContact O-N 3.02Å; K202-L204 VanDerWaalsContact O-N 3.12Å; L204-F206 VanDerWaalsContact C-N 3.35Å; L204-A213 HydrophobicContact CD2-CB 4.2Å; L204-K217 WeakPolarHBondContact CD2-O 3.48Å; L204-F218 HydrophobicContact CD2-CB 3.81Å; L204-F218 HydrophobicContact CG-CB 3.95Å; L204-I228 HydrophobicContact CD1-CD1 4.16Å; L204-F315 HydrophobicContact CB-CD2 4.33Å; L204-F315 HydrophobicContact CB-CE1 4.47Å; L204-F315 HydrophobicContact CB-CE2 3.62Å; L204-F315 HydrophobicContact CB-CZ 3.71Å; L204-F315 HydrophobicContact CD1-CD1 4.33Å; L204-F315 HydrophobicContact CD1-CD2 4.5Å; L204-F315 HydrophobicContact CD1-CE1 4.19Å; L204-F315 HydrophobicContact CD1-CE2 4.38Å; L204-F315 HydrophobicContact CD1-CG 4.49Å; L204-F315 HydrophobicContact CD1-CZ 4.24Å; L204-F315 HydrophobicContact CD2-CE1 4.36Å; L204-F315 HydrophobicContact CD2-CZ 4.2Å; L204-F315 HydrophobicContact CG-CZ 4.28Å; L204-R347 PolarHBondContact O-NH2 3.3Å; L204-R347 VanDerWaalsContact O-NH2 3.14Å
205	W	94.3	Very high	94.3	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-81.2	-14.6	175.8	-67.8	93.7	0	0	0	114	L200 K202 E203 Y309 F315 L318 A343 L344 R347	L200-W205 PolarHBondContact O-NE1 2.96Å; K202-W205 WeakPolarHBondContact O-CB 3.48Å; K202-W205 PolarHBondContact O-N 3.03Å; E203-W205 PolarHBondContact O-N 3.3Å; E203-W205 VanDerWaalsContact O-N 3.1Å; W205-Y309 HydrophobicContact CZ2-CE2 4.31Å; W205-Y309 PolarHBondContact NE1-OH 3.43Å; W205-F315 HydrophobicContact CD2-CE2 4.38Å; W205-F315 AromaticContact CE2-CD2 3.89Å; W205-F315 AromaticContact CE2-CE2 3.96Å; W205-F315 AromaticContact CZ2-CD2 3.94Å; W205-F315 HydrophobicContact CZ2-CD2 3.94Å; W205-F315 HydrophobicContact CZ2-CE2 4.23Å; W205-F315 AromaticContact NE1-CD2 3.77Å; W205-F315 AromaticContact NE1-CE2 3.98Å; W205-L318 HydrophobicContact CH2-CB 3.99Å; W205-L318 HydrophobicContact CH2-CD2 3.88Å; W205-L318 HydrophobicContact CH2-CG 3.71Å; W205-L318 HydrophobicContact CZ2-CB 4.15Å; W205-L318 HydrophobicContact CZ2-CD2 3.75Å; W205-L318 HydrophobicContact CZ2-CG 4.04Å; W205-A343 HydrophobicContact CB-CB 3.49Å; W205-A343 VanDerWaalsContact CB-CB 3.49Å; W205-A343 HydrophobicContact CD2-CB 4.05Å; W205-A343 HydrophobicContact CG-CB 3.51Å; W205-L344 HydrophobicContact CE3-CD2 4.09Å; W205-L344 HydrophobicContact CH2-CD2 3.8Å; W205-L344 HydrophobicContact CZ3-CD2 3.44Å; W205-L344 VanDerWaalsContact CZ3-CD2 3.44Å; W205-L344 HydrophobicContact CZ3-CG 4.4Å; W205-R347 HydrophobicContact CE3-CG 4Å; W205-R347 PolarHBondContact O-NE 3.46Å; W205-R347 PolarHBondContact O-NH2 3.4Å
206	F	92.6	Very high	94.2	Very high	49 Å²	49	39.4 Å²	39.4	22%	0.215	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-13.2	178.1	-67.2	-98.9	0	0	0	112.4	K202 E203 L204 E208 W221 A343 N346	K202-F206 WeakPolarHBondContact O-CD2 3.3Å; E203-F206 CarbonylContact O-C 3.58Å; E203-F206 WeakPolarHBondContact O-CA 3.44Å; E203-F206 PolarHBondContact O-N 2.84Å; L204-F206 VanDerWaalsContact C-N 3.35Å; F206-E208 PolarHBondContact O-N 3.45Å; F206-W221 HydrophobicContact CB-CH2 4.32Å; F206-W221 HydrophobicContact CB-CZ3 3.76Å; F206-W221 HydrophobicContact CD1-CH2 4.39Å; F206-W221 HydrophobicContact CD1-CZ3 4.04Å; F206-W221 AromaticContact CD2-CH2 3.5Å; F206-W221 HydrophobicContact CD2-CH2 3.5Å; F206-W221 AromaticContact CD2-CZ3 3.8Å; F206-W221 HydrophobicContact CD2-CZ3 3.8Å; F206-W221 AromaticContact CE2-CH2 3.82Å; F206-W221 HydrophobicContact CE2-CH2 3.82Å; F206-W221 HydrophobicContact CE2-CZ3 4.41Å; F206-W221 AromaticContact CG-CH2 3.82Å; F206-W221 HydrophobicContact CG-CH2 3.82Å; F206-W221 AromaticContact CG-CZ3 3.59Å; F206-W221 HydrophobicContact CG-CZ3 3.59Å; F206-W221 HydrophobicContact CZ-CH2 4.39Å; F206-A343 HydrophobicContact CE2-CB 4.44Å; F206-N346 WeakPolarHBondContact CD1-ND2 3.36Å; F206-N346 HydrophobicContact CE1-CB 3.97Å; F206-N346 HydrophobicContact CZ-CB 4.29Å
207	T	91	Very high	94.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.205	C	C	.	.			trans	-61.1	115.8	168.8	-54.5	0	0	0	0	110.7	E203 D209 L212 A213 Q219 R347	E203-T207 PolarHBondContact O-N 2.85Å; E203-T207 PolarHBondContact O-OG1 2.91Å; T207-D209 WeakPolarHBondContact CG2-O 3.21Å; T207-L212 HydrophobicContact CG2-CB 4.13Å; T207-L212 HydrophobicContact CG2-CD2 3.77Å; T207-L212 HydrophobicContact CG2-CG 4.25Å; T207-A213 HydrophobicContact CG2-CB 4.32Å; T207-Q219 PolarHBondContact OG1-N 3.46Å; T207-R347 PolarHBondContact O-NH1 2.96Å; T207-R347 PolarHBondContact O-NH2 3.16Å
208	E	86.2	Confident	94.1	Very high	174 Å²	174	41.4 Å²	41.4	81%	0.813	20%	0.198	S	C	*	.	S	Bend	trans	-69.2	-39.5	179.6	-65.9	-171.7	171.1	0	0	112.1	F206 R210	F206-E208 PolarHBondContact O-N 3.45Å; E208-R210 PolarHBondContact O-N 3.48Å; E208-R210 VanDerWaalsContact O-N 3.1Å
209	D	91.4	Very high	94	Very high	84 Å²	84	43.8 Å²	43.8	45%	0.449	21%	0.207	S	C	.	.			trans	-69.7	106.6	175.3	-174.9	-13.7	0	0	0	110.6	T207 Q211 L212 A213	T207-D209 WeakPolarHBondContact CG2-O 3.21Å; D209-Q211 VanDerWaalsContact C-N 3.31Å; D209-Q211 PolarHBondContact O-N 3.43Å; D209-Q211 WeakPolarHBondContact OD1-CA 3.21Å; D209-Q211 WeakPolarHBondContact OD1-CB 3.48Å; D209-Q211 PolarHBondContact OD1-N 3.22Å; D209-L212 HydrophobicContact CB-CB 3.72Å; D209-L212 WeakPolarHBondContact O-CB 3.24Å; D209-L212 PolarHBondContact O-N 2.91Å; D209-L212 PolarHBondContact OD1-N 2.84Å; D209-L212 VanDerWaalsContact OD1-N 3.13Å; D209-A213 PolarHBondContact O-N 2.66Å; D209-A213 VanDerWaalsContact O-N 3.08Å
210	R	90.3	Very high	93.9	Very high	85 Å²	85	44.3 Å²	44.3	32%	0.321	21%	0.209	S	C	.	.	H	α-helix	trans	-60.1	-41.2	177.3	-174.2	-178	-167.3	-158.2	-5.5	112.2	E208 L212 A213 Q214 E319	E208-R210 PolarHBondContact O-N 3.48Å; E208-R210 VanDerWaalsContact O-N 3.1Å; R210-L212 VanDerWaalsContact C-N 3.33Å; R210-A213 PolarHBondContact O-N 3.45Å; R210-Q214 HydrophobicContact CG-CG 4.29Å; R210-Q214 WeakPolarHBondContact O-CB 3.26Å; R210-Q214 VanDerWaalsContact O-CG 3.3Å; R210-Q214 WeakPolarHBondContact O-CG 3.45Å; R210-Q214 PolarHBondContact O-N 2.85Å; R210-E319 WeakPolarHBondContact CG-OE1 3.41Å; R210-E319 IonicContact CZ-OE1 3.41Å; R210-E319 IonicContact CZ-OE2 2.63Å; R210-E319 IonicContact NE-OE1 3.81Å; R210-E319 PolarHBondContact NE-OE1 3.4Å; R210-E319 IonicContact NE-OE2 3.75Å; R210-E319 PolarHBondContact NE-OE2 3.3Å; R210-E319 VanDerWaalsContact NE-OE2 3.09Å; R210-E319 IonicContact NH2-OE1 2.84Å; R210-E319 IonicContact NH2-OE2 2.93Å; R210-E319 PolarHBondContact NH2-OE2 3.02Å
211	Q	93.3	Very high	93.6	Very high	133 Å²	133	45.1 Å²	45.1	62%	0.621	21%	0.212	S	C	*	.	H	α-helix	trans	-69.4	-38.2	-176.9	-171.6	170.7	3	0	0	110.2	D209 Q214 N215	D209-Q211 VanDerWaalsContact C-N 3.31Å; D209-Q211 PolarHBondContact O-N 3.43Å; D209-Q211 WeakPolarHBondContact OD1-CA 3.21Å; D209-Q211 WeakPolarHBondContact OD1-CB 3.48Å; D209-Q211 PolarHBondContact OD1-N 3.22Å; Q211-Q214 PolarHBondContact O-N 3.31Å; Q211-N215 WeakPolarHBondContact O-CB 3.26Å; Q211-N215 PolarHBondContact O-N 3.17Å; Q211-N215 PolarHBondContact O-ND2 3.41Å
212	L	94.2	Very high	93.4	Very high	17 Å²	17	46.9 Å²	46.9	9%	0.089	22%	0.221	C	C	.	.	H	α-helix	trans	-58.1	-50.2	172.1	-168.7	69.6	0	0	0	111	T207 D209 R210 Q214 N215 L216 K217 Q219 E225	T207-L212 HydrophobicContact CG2-CB 4.13Å; T207-L212 HydrophobicContact CG2-CD2 3.77Å; T207-L212 HydrophobicContact CG2-CG 4.25Å; D209-L212 HydrophobicContact CB-CB 3.72Å; D209-L212 WeakPolarHBondContact O-CB 3.24Å; D209-L212 PolarHBondContact O-N 2.91Å; D209-L212 PolarHBondContact OD1-N 2.84Å; D209-L212 VanDerWaalsContact OD1-N 3.13Å; R210-L212 VanDerWaalsContact C-N 3.33Å; L212-Q214 PolarHBondContact O-N 2.83Å; L212-N215 CarbonylContact O-C 3.55Å; L212-N215 PolarHBondContact O-N 2.84Å; L212-L216 PolarHBondContact O-N 3.14Å; L212-K217 CarbonylContact C-O 3.55Å; L212-K217 HydrophobicContact CD1-CB 3.52Å; L212-K217 HydrophobicContact CD1-CD 3.96Å; L212-K217 HydrophobicContact CD1-CG 4.35Å; L212-K217 HydrophobicContact CG-CB 3.78Å; L212-K217 PolarHBondContact O-N 3.44Å; L212-K217 VanDerWaalsContact O-O 3.1Å; L212-Q219 HydrophobicContact CD2-CG 4.17Å; L212-E225 HydrophobicContact CD2-CG 4.15Å
213	A	92.1	Very high	93.2	Very high	2 Å²	2	48.4 Å²	48.4	2%	0.017	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-39.5	178.7	0	0	0	0	0	113	L204 T207 D209 R210 N215 L216 K217 F315	L204-A213 HydrophobicContact CD2-CB 4.2Å; T207-A213 HydrophobicContact CG2-CB 4.32Å; D209-A213 PolarHBondContact O-N 2.66Å; D209-A213 VanDerWaalsContact O-N 3.08Å; R210-A213 PolarHBondContact O-N 3.45Å; A213-N215 VanDerWaalsContact C-N 3.29Å; A213-N215 PolarHBondContact O-N 2.93Å; A213-L216 WeakPolarHBondContact O-CA 3.3Å; A213-L216 PolarHBondContact O-N 3.02Å; A213-K217 WeakPolarHBondContact CA-O 3.5Å; A213-F315 HydrophobicContact CB-CZ 4.23Å; A213-F315 WeakPolarHBondContact O-CE1 2.99Å
214	Q	91.7	Very high	93.1	Very high	79 Å²	79	55.1 Å²	55.1	37%	0.369	26%	0.264	S	S	.	.	H	α-helix	trans	-68.4	-28.4	176.2	-75.8	-178.2	-19.7	0	0	113	R210 Q211 L212 L216 L316 E319	R210-Q214 HydrophobicContact CG-CG 4.29Å; R210-Q214 WeakPolarHBondContact O-CB 3.26Å; R210-Q214 VanDerWaalsContact O-CG 3.3Å; R210-Q214 WeakPolarHBondContact O-CG 3.45Å; R210-Q214 PolarHBondContact O-N 2.85Å; Q211-Q214 PolarHBondContact O-N 3.31Å; L212-Q214 PolarHBondContact O-N 2.83Å; Q214-L216 PolarHBondContact O-N 2.94Å; Q214-L316 HydrophobicContact CB-CD2 4.37Å; Q214-L316 HydrophobicContact CG-CD2 4.28Å; Q214-E319 PolarHBondContact NE2-OE2 3.48Å
215	N	94.5	Very high	93	Very high	98 Å²	98	60.8 Å²	60.8	52%	0.524	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	8.7	169.5	-67.7	-24.6	0	0	0	112.7	Q211 L212 A213 K217	Q211-N215 WeakPolarHBondContact O-CB 3.26Å; Q211-N215 PolarHBondContact O-N 3.17Å; Q211-N215 PolarHBondContact O-ND2 3.41Å; L212-N215 CarbonylContact O-C 3.55Å; L212-N215 PolarHBondContact O-N 2.84Å; A213-N215 VanDerWaalsContact C-N 3.29Å; A213-N215 PolarHBondContact O-N 2.93Å; N215-K217 PolarHBondContact O-N 3.49Å
216	L	96.1	Very high	93.1	Very high	6 Å²	6	63.6 Å²	63.6	3%	0.031	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	26.1	176.4	-45.3	175.8	0	0	0	114.3	Y192 L212 A213 Q214 I228 Y229 V312 F315 L316	Y192-L216 HydrophobicContact CD1-CD1 4.25Å; Y192-L216 HydrophobicContact CE1-CD1 4.17Å; L212-L216 PolarHBondContact O-N 3.14Å; A213-L216 WeakPolarHBondContact O-CA 3.3Å; A213-L216 PolarHBondContact O-N 3.02Å; Q214-L216 PolarHBondContact O-N 2.94Å; L216-I228 HydrophobicContact CB-CB 4.48Å; L216-I228 HydrophobicContact CB-CG2 3.6Å; L216-I228 HydrophobicContact CD1-CG2 4.29Å; L216-I228 WeakPolarHBondContact O-CB 3.4Å; L216-I228 PolarHBondContact O-N 2.74Å; L216-I228 VanDerWaalsContact O-N 3.14Å; L216-Y229 HydrophobicContact CD1-CE2 4.33Å; L216-Y229 WeakPolarHBondContact CD1-OH 3.43Å; L216-V312 HydrophobicContact CD1-CB 4.46Å; L216-V312 HydrophobicContact CD1-CG1 3.55Å; L216-V312 HydrophobicContact CD1-CG2 4.03Å; L216-V312 HydrophobicContact CD2-CG1 3.58Å; L216-V312 HydrophobicContact CD2-CG2 4.41Å; L216-V312 HydrophobicContact CG-CG1 4.2Å; L216-F315 HydrophobicContact CD2-CD1 4.22Å; L216-F315 HydrophobicContact CD2-CE1 4.37Å; L216-L316 HydrophobicContact CD2-CD2 4.27Å; L216-L316 HydrophobicContact CD2-CG 4.49Å
217	K	96.6	Very high	93.2	Very high	87 Å²	87	63 Å²	63	38%	0.378	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	144.3	167.2	-65.2	-175.8	179.3	-170.3	0	109.2	L204 L212 A213 N215 R226	L204-K217 WeakPolarHBondContact CD2-O 3.48Å; L212-K217 CarbonylContact C-O 3.55Å; L212-K217 HydrophobicContact CD1-CB 3.52Å; L212-K217 HydrophobicContact CD1-CD 3.96Å; L212-K217 HydrophobicContact CD1-CG 4.35Å; L212-K217 HydrophobicContact CG-CB 3.78Å; L212-K217 PolarHBondContact O-N 3.44Å; L212-K217 VanDerWaalsContact O-O 3.1Å; A213-K217 WeakPolarHBondContact CA-O 3.5Å; N215-K217 PolarHBondContact O-N 3.49Å; K217-R226 WeakPolarHBondContact CA-O 3.27Å
218	F	95.4	Very high	93.5	Very high	2 Å²	2	63 Å²	63	1%	0.009	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	153.5	-179.7	62.1	-83.2	0	0	0	110.9	M196 P199 E203 L204 Q220 E225 R226	M196-F218 HydrophobicContact SD-CZ 4.45Å; P199-F218 HydrophobicContact CB-CD1 3.88Å; P199-F218 HydrophobicContact CB-CD2 4.33Å; P199-F218 HydrophobicContact CB-CE1 3.77Å; P199-F218 HydrophobicContact CB-CE2 4.2Å; P199-F218 HydrophobicContact CB-CG 4.16Å; P199-F218 HydrophobicContact CB-CZ 3.93Å; P199-F218 HydrophobicContact CG-CD1 4.22Å; P199-F218 HydrophobicContact CG-CE1 3.58Å; P199-F218 HydrophobicContact CG-CE2 4.02Å; P199-F218 HydrophobicContact CG-CZ 3.45Å; P199-F218 VanDerWaalsContact CG-CZ 3.45Å; E203-F218 HydrophobicContact CB-CB 4.05Å; E203-F218 HydrophobicContact CB-CD2 3.44Å; E203-F218 VanDerWaalsContact CB-CD2 3.44Å; E203-F218 HydrophobicContact CB-CE2 4.21Å; E203-F218 HydrophobicContact CB-CG 4.06Å; E203-F218 HydrophobicContact CG-CD2 3.94Å; E203-F218 HydrophobicContact CG-CE2 4.29Å; L204-F218 HydrophobicContact CD2-CB 3.81Å; L204-F218 HydrophobicContact CG-CB 3.95Å; F218-Q220 HydrophobicContact CD2-CG 4.49Å; F218-Q220 HydrophobicContact CE2-CG 4.04Å; F218-E225 CarbonylContact O-C 3.14Å; F218-E225 WeakPolarHBondContact O-CA 3.36Å; F218-R226 WeakPolarHBondContact CD1-O 3.36Å; F218-R226 HydrophobicContact CE1-CB 4.1Å; F218-R226 HydrophobicContact CE1-CG 4.29Å; F218-R226 HydrophobicContact CE2-CB 4.12Å; F218-R226 HydrophobicContact CZ-CB 3.83Å; F218-R226 HydrophobicContact CZ-CG 4.02Å; F218-R226 PolarHBondContact N-O 3.16Å; F218-R226 PolarHBondContact O-N 3.37Å
219	Q	94.1	Very high	94	Very high	70 Å²	70	57.7 Å²	57.7	33%	0.327	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.7	168.9	-70.7	173.6	-31.3	0	0	108.1	T207 L212 R224 E225	T207-Q219 PolarHBondContact OG1-N 3.46Å; L212-Q219 HydrophobicContact CD2-CG 4.17Å; Q219-R224 WeakPolarHBondContact CA-O 3.37Å; Q219-E225 HydrophobicContact CG-CG 4.01Å
220	Q	94.7	Very high	94.3	Very high	14 Å²	14	55.5 Å²	55.5	7%	0.065	26%	0.259	C	S	.	.			trans	-59.4	167.5	168.9	-60.8	-167.1	92.7	0	0	110	F218 N222 G223 R224 R226 V536 D540	F218-Q220 HydrophobicContact CD2-CG 4.49Å; F218-Q220 HydrophobicContact CE2-CG 4.04Å; Q220-N222 PolarHBondContact O-N 3.01Å; Q220-G223 WeakPolarHBondContact O-CA 3.17Å; Q220-G223 PolarHBondContact O-N 3.48Å; Q220-R224 PolarHBondContact N-O 3.12Å; Q220-R226 HydrophobicContact CG-CB 4.38Å; Q220-V536 HydrophobicContact CB-CG1 4.03Å; Q220-D540 PolarHBondContact NE2-O 3.43Å
221	W	92.7	Very high	94.6	Very high	22 Å²	22	53.8 Å²	53.8	8%	0.083	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.7	-179.5	-57.3	132.3	0	0	0	114.4	K202 E203 F206 D500 P503 K533 V536	K202-W221 HydrophobicContact CB-CZ2 4.43Å; E203-W221 HydrophobicContact CG-CD2 4.29Å; E203-W221 HydrophobicContact CG-CH2 4.28Å; E203-W221 HydrophobicContact CG-CZ2 4.04Å; F206-W221 HydrophobicContact CB-CH2 4.32Å; F206-W221 HydrophobicContact CB-CZ3 3.76Å; F206-W221 HydrophobicContact CD1-CH2 4.39Å; F206-W221 HydrophobicContact CD1-CZ3 4.04Å; F206-W221 AromaticContact CD2-CH2 3.5Å; F206-W221 HydrophobicContact CD2-CH2 3.5Å; F206-W221 AromaticContact CD2-CZ3 3.8Å; F206-W221 HydrophobicContact CD2-CZ3 3.8Å; F206-W221 AromaticContact CE2-CH2 3.82Å; F206-W221 HydrophobicContact CE2-CH2 3.82Å; F206-W221 HydrophobicContact CE2-CZ3 4.41Å; F206-W221 AromaticContact CG-CH2 3.82Å; F206-W221 HydrophobicContact CG-CH2 3.82Å; F206-W221 AromaticContact CG-CZ3 3.59Å; F206-W221 HydrophobicContact CG-CZ3 3.59Å; F206-W221 HydrophobicContact CZ-CH2 4.39Å; W221-D500 HydrophobicContact CZ2-CB 4.42Å; W221-D500 PolarHBondContact NE1-OD2 3.01Å; W221-P503 HydrophobicContact CD2-CB 4.06Å; W221-P503 HydrophobicContact CE3-CB 3.83Å; W221-P503 HydrophobicContact CE3-CG 4.46Å; W221-P503 HydrophobicContact CG-CB 4.45Å; W221-P503 HydrophobicContact CZ3-CB 4.3Å; W221-K533 HydrophobicContact CB-CB 4.03Å; W221-K533 HydrophobicContact CB-CG 4.11Å; W221-V536 HydrophobicContact CB-CB 4.19Å; W221-V536 HydrophobicContact CB-CG1 4.34Å; W221-V536 HydrophobicContact CB-CG2 4.39Å
222	N	92.6	Very high	94.7	Very high	45 Å²	45	53.6 Å²	53.6	24%	0.241	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-0.9	174.2	72.7	4.6	0	0	0	114.5	Q220 R224 V536 R537 D540	Q220-N222 PolarHBondContact O-N 3.01Å; N222-R224 WeakPolarHBondContact OD1-CB 3.19Å; N222-R224 PolarHBondContact OD1-N 2.95Å; N222-V536 HydrophobicContact CB-CG1 4.03Å; N222-V536 PolarHBondContact ND2-O 3.46Å; N222-V536 VanDerWaalsContact ND2-O 3.15Å; N222-R537 HydrophobicContact CB-CB 4.46Å; N222-D540 PolarHBondContact ND2-OD1 3.22Å
223	G	92.1	Very high	94.6	Very high	41 Å²	41	57.9 Å²	57.9	42%	0.423	28%	0.277	S	S	.	.	S	Bend	trans	90.8	-7.6	179.1	0	0	0	0	0	115.7	Q220	Q220-G223 WeakPolarHBondContact O-CA 3.17Å; Q220-G223 PolarHBondContact O-N 3.48Å
224	R	93.3	Very high	94.7	Very high	149 Å²	149	65.6 Å²	65.6	56%	0.562	31%	0.313	S	S	*	.			trans	-70.8	137.1	176.5	-66.8	-160.5	-169	-177.2	4.3	111	Q219 Q220 N222 D540	Q219-R224 WeakPolarHBondContact CA-O 3.37Å; Q220-R224 PolarHBondContact N-O 3.12Å; N222-R224 WeakPolarHBondContact OD1-CB 3.19Å; N222-R224 PolarHBondContact OD1-N 2.95Å; R224-D540 WeakPolarHBondContact CD-OD1 3.5Å; R224-D540 IonicContact CZ-OD1 3.41Å; R224-D540 IonicContact CZ-OD2 2.7Å; R224-D540 IonicContact NE-OD1 2.69Å; R224-D540 PolarHBondContact NE-OD1 3.2Å; R224-D540 IonicContact NE-OD2 2.85Å; R224-D540 VanDerWaalsContact NH1-CG 3.29Å; R224-D540 IonicContact NH1-OD1 3.15Å; R224-D540 PolarHBondContact NH1-OD1 3.4Å; R224-D540 IonicContact NH1-OD2 2.93Å; R224-D540 PolarHBondContact NH1-OD2 3.42Å; R224-D540 IonicContact NH2-OD1 2.62Å; R224-D540 IonicContact NH2-OD2 2.76Å
225	E	94.7	Very high	95	Very high	119 Å²	119	65.7 Å²	65.7	56%	0.556	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	139.6	176.9	-65.9	-176.2	-173.3	0	0	111.5	L212 F218 Q219	L212-E225 HydrophobicContact CD2-CG 4.15Å; F218-E225 CarbonylContact O-C 3.14Å; F218-E225 WeakPolarHBondContact O-CA 3.36Å; Q219-E225 HydrophobicContact CG-CG 4.01Å
226	R	94.8	Very high	95.1	Very high	59 Å²	59	61.7 Å²	61.7	22%	0.223	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	149.9	173.9	-170.1	173.8	-178.6	171.4	5.1	110.3	K217 F218 Q220 E541 E546	K217-R226 WeakPolarHBondContact CA-O 3.27Å; F218-R226 WeakPolarHBondContact CD1-O 3.36Å; F218-R226 HydrophobicContact CE1-CB 4.1Å; F218-R226 HydrophobicContact CE1-CG 4.29Å; F218-R226 HydrophobicContact CE2-CB 4.12Å; F218-R226 HydrophobicContact CZ-CB 3.83Å; F218-R226 HydrophobicContact CZ-CG 4.02Å; F218-R226 PolarHBondContact N-O 3.16Å; F218-R226 PolarHBondContact O-N 3.37Å; Q220-R226 HydrophobicContact CG-CB 4.38Å; R226-E541 IonicContact CZ-OE1 2.93Å; R226-E541 IonicContact CZ-OE2 3.69Å; R226-E541 IonicContact NH1-OE1 2.6Å; R226-E541 PolarHBondContact NH1-OE1 2.92Å; R226-E541 IonicContact NH1-OE2 2.76Å; R226-E541 PolarHBondContact NH1-OE2 3.43Å; R226-E541 IonicContact NH2-OE2 3.12Å; R226-E541 PolarHBondContact NH2-OE2 3.14Å; R226-E546 IonicContact NH2-OE1 2.71Å; R226-E546 IonicContact NH2-OE2 2.64Å
227	D	94.9	Very high	95.1	Very high	36 Å²	36	63.4 Å²	63.4	19%	0.193	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	145	172	-151.9	-53.2	0	0	0	110.6	Y229	D227-Y229 VanDerWaalsContact C-N 3.26Å; D227-Y229 WeakPolarHBondContact OD1-CD2 3.38Å; D227-Y229 PolarHBondContact OD1-N 3.22Å
228	I	96.8	Very high	95	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-70.3	-27.2	173.3	-156.9	175	0	0	0	111.9	Y195 M196 P199 L200 L204 L216	Y195-I228 CarbonylContact C-O 3.6Å; Y195-I228 VanDerWaalsContact CA-O 3.29Å; Y195-I228 WeakPolarHBondContact CA-O 3.47Å; Y195-I228 VanDerWaalsContact CB-O 3.31Å; Y195-I228 WeakPolarHBondContact CB-O 3.49Å; Y195-I228 HydrophobicContact CD2-CD1 3.79Å; Y195-I228 HydrophobicContact CD2-CG1 4.06Å; Y195-I228 HydrophobicContact CE2-CD1 4.43Å; M196-I228 HydrophobicContact CG-CG1 3.98Å; M196-I228 WeakPolarHBondContact CG-O 3.48Å; M196-I228 PolarHBondContact N-O 2.98Å; M196-I228 WeakPolarHBondContact O-CD1 3.28Å; M196-I228 WeakPolarHBondContact O-CG1 3.33Å; P199-I228 HydrophobicContact CG-CG1 4.49Å; L200-I228 HydrophobicContact CD2-CD1 3.4Å; L200-I228 VanDerWaalsContact CD2-CD1 3.4Å; L200-I228 HydrophobicContact CG-CD1 3.81Å; L204-I228 HydrophobicContact CD1-CD1 4.16Å; L216-I228 HydrophobicContact CB-CB 4.48Å; L216-I228 HydrophobicContact CB-CG2 3.6Å; L216-I228 HydrophobicContact CD1-CG2 4.29Å; L216-I228 WeakPolarHBondContact O-CB 3.4Å; L216-I228 PolarHBondContact O-N 2.74Å; L216-I228 VanDerWaalsContact O-N 3.14Å
229	Y	97.4	Very high	94.9	Very high	63 Å²	63	64 Å²	64	25%	0.247	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-67.7	144.1	178.3	-61.3	-64.2	0	0	0	111	Y192 K193 L216 D227 E231	Y192-Y229 WeakPolarHBondContact CD1-OH 3.41Å; K193-Y229 HydrophobicContact CB-CD1 4.02Å; K193-Y229 HydrophobicContact CB-CE1 4.17Å; L216-Y229 HydrophobicContact CD1-CE2 4.33Å; L216-Y229 WeakPolarHBondContact CD1-OH 3.43Å; D227-Y229 VanDerWaalsContact C-N 3.26Å; D227-Y229 WeakPolarHBondContact OD1-CD2 3.38Å; D227-Y229 PolarHBondContact OD1-N 3.22Å; Y229-E231 VanDerWaalsContact C-N 3.32Å
230	F	97	Very high	94.9	Very high	38 Å²	38	62.1 Å²	62.1	17%	0.167	30%	0.303	C	S	.	.	S	Bend	trans	-70.8	-31	177.7	-68.7	-63	0	0	0	113.2	T166 F169 P194 Y195 M196	T166-F230 HydrophobicContact CG2-CZ 3.84Å; F169-F230 HydrophobicContact CB-CD2 3.84Å; F169-F230 HydrophobicContact CB-CE2 4.19Å; F169-F230 HydrophobicContact CD1-CB 3.65Å; F169-F230 HydrophobicContact CD1-CD1 4.1Å; F169-F230 AromaticContact CD1-CD2 3.67Å; F169-F230 HydrophobicContact CD1-CD2 3.67Å; F169-F230 HydrophobicContact CD1-CE2 4.35Å; F169-F230 AromaticContact CD1-CG 3.54Å; F169-F230 HydrophobicContact CD1-CG 3.54Å; F169-F230 HydrophobicContact CD2-CB 3.91Å; F169-F230 HydrophobicContact CD2-CD2 4.18Å; F169-F230 HydrophobicContact CD2-CG 4.35Å; F169-F230 HydrophobicContact CE1-CB 3.42Å; F169-F230 VanDerWaalsContact CE1-CB 3.42Å; F169-F230 HydrophobicContact CE1-CD1 4.22Å; F169-F230 HydrophobicContact CE1-CD2 4.34Å; F169-F230 AromaticContact CE1-CG 3.77Å; F169-F230 HydrophobicContact CE1-CG 3.77Å; F169-F230 HydrophobicContact CE2-CB 3.68Å; F169-F230 HydrophobicContact CG-CB 3.91Å; F169-F230 AromaticContact CG-CD2 3.59Å; F169-F230 HydrophobicContact CG-CD2 3.59Å; F169-F230 HydrophobicContact CG-CE2 4.35Å; F169-F230 AromaticContact CG-CG 3.88Å; F169-F230 HydrophobicContact CG-CG 3.88Å; F169-F230 HydrophobicContact CZ-CB 3.45Å; F169-F230 VanDerWaalsContact CZ-CB 3.45Å; F169-F230 HydrophobicContact CZ-CG 4.28Å; P194-F230 HydrophobicContact CB-CD2 3.87Å; P194-F230 HydrophobicContact CB-CE2 4.44Å; P194-F230 WeakPolarHBondContact O-CD2 3.36Å; P194-F230 PolarHBondContact O-N 3.4Å; P194-F230 VanDerWaalsContact O-N 3.11Å; Y195-F230 VanDerWaalsContact O-CE2 3.25Å; Y195-F230 WeakPolarHBondContact O-CE2 3.47Å; M196-F230 HydrophobicContact CB-CE1 3.78Å; M196-F230 HydrophobicContact CB-CZ 3.88Å; M196-F230 HydrophobicContact CE-CD1 4.31Å; M196-F230 HydrophobicContact CE-CE1 4.36Å
231	E	97.3	Very high	94.9	Very high	50 Å²	50	65.2 Å²	65.2	23%	0.234	32%	0.32	C	S	.	.	S	Bend	trans	-148.5	159.3	-179.2	-75.2	-67.8	175.3	0	0	109.7	F169 R173 Y229 F235 Y236	F169-E231 HydrophobicContact CE2-CB 4.3Å; F169-E231 HydrophobicContact CE2-CG 3.76Å; F169-E231 HydrophobicContact CZ-CG 3.61Å; R173-E231 IonicContact NH1-OE1 3.65Å; Y229-E231 VanDerWaalsContact C-N 3.32Å; E231-F235 HydrophobicContact CB-CB 3.74Å; E231-F235 HydrophobicContact CB-CD1 3.76Å; E231-F235 HydrophobicContact CB-CD2 4.29Å; E231-F235 HydrophobicContact CB-CE1 4.44Å; E231-F235 HydrophobicContact CB-CG 3.67Å; E231-F235 HydrophobicContact CG-CB 4.3Å; E231-F235 HydrophobicContact CG-CD1 3.81Å; E231-F235 HydrophobicContact CG-CD2 3.89Å; E231-F235 HydrophobicContact CG-CE1 4.04Å; E231-F235 HydrophobicContact CG-CE2 4.12Å; E231-F235 HydrophobicContact CG-CG 3.73Å; E231-F235 HydrophobicContact CG-CZ 4.19Å; E231-Y236 HydrophobicContact CB-CE2 4.25Å
232	H	94.7	Very high	95	Very high	128 Å²	128	64.1 Å²	64.1	59%	0.593	32%	0.316	S	S	*	.			trans	-71	163.4	175.1	-58.9	-67	0	0	0	112.3	E234 F235	H232-E234 VanDerWaalsContact C-N 3.26Å; H232-E234 WeakPolarHBondContact CB-OE2 3.44Å; H232-E234 PolarHBondContact O-N 3.45Å; H232-F235 WeakPolarHBondContact O-CB 3.48Å; H232-F235 PolarHBondContact O-N 3.39Å; H232-F235 VanDerWaalsContact O-N 3.11Å
233	D	92.9	Very high	94.9	Very high	107 Å²	107	65.5 Å²	65.5	57%	0.572	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-61.3	-35.2	-176.5	-83.3	-25.4	0	0	0	112.7	K193 F235 Y236	K193-D233 WeakPolarHBondContact CG-OD1 3.28Å; D233-F235 PolarHBondContact O-N 3.01Å; D233-Y236 PolarHBondContact O-N 2.95Å; D233-Y236 VanDerWaalsContact O-N 3.08Å
234	E	94.8	Very high	94.8	Very high	165 Å²	165	69.9 Å²	69.9	77%	0.771	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-66.1	-17.8	179.4	-61.5	80.8	-177.3	0	0	113.5	H232 Y236	H232-E234 VanDerWaalsContact C-N 3.26Å; H232-E234 WeakPolarHBondContact CB-OE2 3.44Å; H232-E234 PolarHBondContact O-N 3.45Å; E234-Y236 PolarHBondContact O-N 3.01Å
235	F	96.7	Very high	94.8	Very high	80 Å²	80	66.3 Å²	66.3	35%	0.351	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-65.8	-29	173.4	178.9	-96.3	0	0	0	111.8	F169 E231 H232 D233 I250	F169-F235 HydrophobicContact CE2-CE1 4.21Å; E231-F235 HydrophobicContact CB-CB 3.74Å; E231-F235 HydrophobicContact CB-CD1 3.76Å; E231-F235 HydrophobicContact CB-CD2 4.29Å; E231-F235 HydrophobicContact CB-CE1 4.44Å; E231-F235 HydrophobicContact CB-CG 3.67Å; E231-F235 HydrophobicContact CG-CB 4.3Å; E231-F235 HydrophobicContact CG-CD1 3.81Å; E231-F235 HydrophobicContact CG-CD2 3.89Å; E231-F235 HydrophobicContact CG-CE1 4.04Å; E231-F235 HydrophobicContact CG-CE2 4.12Å; E231-F235 HydrophobicContact CG-CG 3.73Å; E231-F235 HydrophobicContact CG-CZ 4.19Å; H232-F235 WeakPolarHBondContact O-CB 3.48Å; H232-F235 PolarHBondContact O-N 3.39Å; H232-F235 VanDerWaalsContact O-N 3.11Å; D233-F235 PolarHBondContact O-N 3.01Å; F235-I250 HydrophobicContact CE1-CD1 3.64Å; F235-I250 HydrophobicContact CZ-CD1 3.79Å
236	Y	96.9	Very high	94.7	Very high	15 Å²	15	68.1 Å²	68.1	6%	0.059	34%	0.335	C	S	.	.	S	Bend	trans	-97	134.7	-175.7	-54.5	-75.4	0	0	0	111.4	F169 K193 E231 D233 E234 I250 V252	F169-Y236 WeakPolarHBondContact CE2-OH 3.28Å; K193-Y236 HydrophobicContact CB-CE2 4.45Å; K193-Y236 HydrophobicContact CD-CD2 4.22Å; K193-Y236 HydrophobicContact CD-CE2 4.4Å; E231-Y236 HydrophobicContact CB-CE2 4.25Å; D233-Y236 PolarHBondContact O-N 2.95Å; D233-Y236 VanDerWaalsContact O-N 3.08Å; E234-Y236 PolarHBondContact O-N 3.01Å; Y236-I250 CarbonylContact C-O 3.45Å; Y236-I250 VanDerWaalsContact CA-O 3.32Å; Y236-I250 WeakPolarHBondContact CA-O 3.31Å; Y236-I250 HydrophobicContact CD1-CB 4.44Å; Y236-I250 HydrophobicContact CD1-CG2 4Å; Y236-I250 HydrophobicContact CE1-CG2 4.24Å; Y236-V252 HydrophobicContact CD1-CG2 3.35Å; Y236-V252 HydrophobicContact CE1-CG2 3.53Å; Y236-V252 HydrophobicContact CG-CG2 3.96Å
237	I	96.1	Very high	94.6	Very high	42 Å²	42	70.6 Å²	70.6	22%	0.215	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-82	142.2	174.2	-52.4	-59.2	0	0	0	109.2	N241 L242 Q245 I250 S251	I237-N241 HydrophobicContact CG2-CB 4.29Å; I237-L242 HydrophobicContact CB-CD1 4.3Å; I237-L242 HydrophobicContact CG2-CD1 4.48Å; I237-Q245 HydrophobicContact CD1-CG 4.4Å; I237-Q245 HydrophobicContact CG1-CG 4.22Å; I237-Q245 HydrophobicContact CG2-CG 3.66Å; I237-I250 PolarHBondContact N-O 3.33Å; I237-S251 WeakPolarHBondContact O-CA 3.34Å; I237-S251 WeakPolarHBondContact O-CB 3.47Å; I237-S251 PolarHBondContact O-OG 3.29Å
238	D	94.8	Very high	94.7	Very high	87 Å²	87	69.2 Å²	69.2	47%	0.465	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-56.3	126.4	168.2	-171.9	-46.5	0	0	0	110	A240 N241 L242	D238-A240 PolarHBondContact O-N 2.91Å; D238-A240 WeakPolarHBondContact OD1-CB 3.34Å; D238-A240 PolarHBondContact OD1-N 3.28Å; D238-N241 HydrophobicContact CB-CB 4.49Å; D238-N241 PolarHBondContact O-N 2.9Å; D238-L242 PolarHBondContact O-N 3.29Å
239	P	94.6	Very high	94.7	Very high	13 Å²	13	69.5 Å²	69.5	8%	0.084	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-49.1	-34.3	178.2	-25.8	31.2	0	0	0	114.5	V151 L153 L185 N241 L242 V253	V151-P239 HydrophobicContact CG1-CB 4.33Å; V151-P239 HydrophobicContact CG1-CG 4.33Å; L153-P239 HydrophobicContact CD2-CB 3.89Å; L185-P239 HydrophobicContact CD1-CB 4.28Å; P239-N241 PolarHBondContact O-N 3.47Å; P239-L242 PolarHBondContact O-N 2.65Å; P239-V253 HydrophobicContact CB-CG2 4.19Å; P239-V253 HydrophobicContact CG-CG2 3.79Å
240	A	92.8	Very high	94.8	Very high	31 Å²	31	66.8 Å²	66.8	26%	0.256	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-68	-19.4	-179.8	0	0	0	0	0	113.5	K152 D238	K152-A240 HydrophobicContact CB-CB 4.03Å; K152-A240 WeakPolarHBondContact O-CA 3.48Å; K152-A240 PolarHBondContact O-N 3.42Å; D238-A240 PolarHBondContact O-N 2.91Å; D238-A240 WeakPolarHBondContact OD1-CB 3.34Å; D238-A240 PolarHBondContact OD1-N 3.28Å
241	N	94.3	Very high	94.8	Very high	79 Å²	79	65 Å²	65	42%	0.422	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-108.7	-8	-176	-65.1	-36	0	0	0	113.2	I237 D238 P239 D243 N244 Q245	I237-N241 HydrophobicContact CG2-CB 4.29Å; D238-N241 HydrophobicContact CB-CB 4.49Å; D238-N241 PolarHBondContact O-N 2.9Å; P239-N241 PolarHBondContact O-N 3.47Å; N241-D243 VanDerWaalsContact C-N 3.29Å; N241-D243 PolarHBondContact O-N 3.28Å; N241-N244 PolarHBondContact O-N 3.03Å; N241-Q245 PolarHBondContact O-N 3.42Å
242	L	94.9	Very high	94.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-59.4	-38.3	-173.6	-173.6	61.6	0	0	0	113	I157 K183 I237 D238 P239 N244 Q245	I157-L242 HydrophobicContact CD1-CD2 3.55Å; I157-L242 HydrophobicContact CD1-CG 4.41Å; K183-L242 HydrophobicContact CB-CD1 4.38Å; K183-L242 HydrophobicContact CB-CD2 4.29Å; K183-L242 HydrophobicContact CB-CG 4.13Å; K183-L242 WeakPolarHBondContact CD-O 3.42Å; K183-L242 VanDerWaalsContact CE-O 3.31Å; K183-L242 WeakPolarHBondContact CE-O 3.43Å; K183-L242 HydrophobicContact CG-CD1 4.34Å; K183-L242 HydrophobicContact CG-CG 4.29Å; I237-L242 HydrophobicContact CB-CD1 4.3Å; I237-L242 HydrophobicContact CG2-CD1 4.48Å; D238-L242 PolarHBondContact O-N 3.29Å; P239-L242 PolarHBondContact O-N 2.65Å; L242-N244 PolarHBondContact O-N 2.84Å; L242-Q245 PolarHBondContact O-N 2.94Å
243	D	91.2	Very high	94.8	Very high	74 Å²	74	57.1 Å²	57.1	40%	0.396	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-64.2	-28.5	178.1	-74.3	-22.6	0	0	0	113	P154 K183 N241	P154-D243 WeakPolarHBondContact CB-OD2 3.21Å; K183-D243 PolarHBondContact NZ-O 3.13Å; N241-D243 VanDerWaalsContact C-N 3.29Å; N241-D243 PolarHBondContact O-N 3.28Å
244	N	91	Very high	94.8	Very high	133 Å²	133	53.7 Å²	53.7	71%	0.711	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-94.4	-4	-176.8	-59.9	-34	0	0	0	113.1	N241 L242 E246	N241-N244 PolarHBondContact O-N 3.03Å; L242-N244 PolarHBondContact O-N 2.84Å; N244-E246 PolarHBondContact O-N 2.72Å
245	Q	92.6	Very high	94.7	Very high	74 Å²	74	46 Å²	46	35%	0.346	24%	0.24	S	C	.	.			trans	-71.4	125.5	175.4	-69.9	-58.1	-30	0	0	110.5	K183 I237 N241 L242 G248	K183-Q245 WeakPolarHBondContact CE-O 3.48Å; I237-Q245 HydrophobicContact CD1-CG 4.4Å; I237-Q245 HydrophobicContact CG1-CG 4.22Å; I237-Q245 HydrophobicContact CG2-CG 3.66Å; N241-Q245 PolarHBondContact O-N 3.42Å; L242-Q245 PolarHBondContact O-N 2.94Å; Q245-G248 WeakPolarHBondContact CB-O 3.38Å
246	E	91.8	Very high	94.5	Very high	157 Å²	157	43 Å²	43	73%	0.734	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-51.1	-180	-173.9	172.7	178.9	0	0	110.6	N244 G248	N244-E246 PolarHBondContact O-N 2.72Å; E246-G248 VanDerWaalsContact C-N 3.34Å; E246-G248 PolarHBondContact O-N 2.87Å
247	H	94.1	Very high	94.4	Very high	110 Å²	110	43.2 Å²	43.2	51%	0.509	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	23.5	-176.1	-59.1	-53.2	0	0	0	114.3	R176 E181	R176-H247 PolarHBondContact NH1-O 2.79Å; R176-H247 PolarHBondContact NH2-O 3.31Å; E181-H247 IonicContact OE1-CG 2.56Å; E181-H247 IonicContact OE1-ND1 3.11Å; E181-H247 PolarHBondContact OE1-ND1 2.9Å; E181-H247 VanDerWaalsContact OE1-ND1 3.16Å; E181-H247 WeakPolarHBondContact OE2-CA 3.49Å
248	G	95.7	Very high	94.5	Very high	7 Å²	7	41.7 Å²	41.7	7%	0.072	22%	0.22	C	C	.	.			trans	60.7	-153	-173.1	0	0	0	0	0	113.6	Q245 E246	Q245-G248 WeakPolarHBondContact CB-O 3.38Å; E246-G248 VanDerWaalsContact C-N 3.34Å; E246-G248 PolarHBondContact O-N 2.87Å
249	G	97.6	Very high	94.6	Very high	7 Å²	7	40.5 Å²	40.5	7%	0.072	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.9	-178.4	-178.4	0	0	0	0	0	113.6	A182 V184	A182-G249 PolarHBondContact O-N 2.7Å; V184-G249 PolarHBondContact N-O 2.97Å
250	I	98.3	Very high	94.8	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.9	175.6	-58.8	166.3	0	0	0	107.9	A172 R176 V184 I186 F235 Y236 I237	A172-I250 HydrophobicContact CB-CD1 3.72Å; A172-I250 HydrophobicContact CB-CG1 4.12Å; A172-I250 HydrophobicContact CB-CG2 4.18Å; R176-I250 HydrophobicContact CG-CD1 3.81Å; R176-I250 HydrophobicContact CG-CG1 3.73Å; V184-I250 HydrophobicContact CB-CG1 4.24Å; V184-I250 WeakPolarHBondContact O-CA 3.31Å; I186-I250 HydrophobicContact CD1-CG2 3.91Å; I186-I250 HydrophobicContact CG1-CG2 4.16Å; F235-I250 HydrophobicContact CE1-CD1 3.64Å; F235-I250 HydrophobicContact CZ-CD1 3.79Å; Y236-I250 CarbonylContact C-O 3.45Å; Y236-I250 VanDerWaalsContact CA-O 3.32Å; Y236-I250 WeakPolarHBondContact CA-O 3.31Å; Y236-I250 HydrophobicContact CD1-CB 4.44Å; Y236-I250 HydrophobicContact CD1-CG2 4Å; Y236-I250 HydrophobicContact CE1-CG2 4.24Å; I237-I250 PolarHBondContact N-O 3.33Å
251	S	97.7	Very high	95	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	149.6	169.3	-67.4	0	0	0	0	110.8	V184 I186 I237	V184-S251 PolarHBondContact O-N 3.3Å; I186-S251 PolarHBondContact N-O 3.02Å; I237-S251 WeakPolarHBondContact O-CA 3.34Å; I237-S251 WeakPolarHBondContact O-CB 3.47Å; I237-S251 PolarHBondContact O-OG 3.29Å
252	V	97.1	Very high	95.2	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.9	179.2	-173.8	0	0	0	0	109.9	T164 I186 K193 P194 Y236 N254	T164-V252 HydrophobicContact CG2-CG1 3.78Å; I186-V252 HydrophobicContact CB-CG1 4.43Å; I186-V252 HydrophobicContact CB-CG2 4.25Å; I186-V252 HydrophobicContact CD1-CG2 4.29Å; I186-V252 CarbonylContact O-C 3.46Å; I186-V252 WeakPolarHBondContact O-CA 3.5Å; K193-V252 HydrophobicContact CD-CB 4.18Å; K193-V252 HydrophobicContact CD-CG1 4.29Å; P194-V252 HydrophobicContact CG-CG2 4.33Å; Y236-V252 HydrophobicContact CD1-CG2 3.35Å; Y236-V252 HydrophobicContact CE1-CG2 3.53Å; Y236-V252 HydrophobicContact CG-CG2 3.96Å; V252-N254 WeakPolarHBondContact CG1-OD1 3.34Å
253	V	95.6	Very high	95.4	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	99	175	-169.9	0	0	0	0	108.6	L153 L185 I186 V187 G188 P239 R256	L153-V253 HydrophobicContact CD2-CB 4.46Å; L153-V253 HydrophobicContact CD2-CG1 4.05Å; L153-V253 HydrophobicContact CD2-CG2 3.52Å; L185-V253 HydrophobicContact CD1-CG2 3.64Å; L185-V253 HydrophobicContact CG-CG2 4.27Å; I186-V253 PolarHBondContact O-N 3.33Å; V187-V253 WeakPolarHBondContact CA-O 3.44Å; V187-V253 HydrophobicContact CG1-CB 4.3Å; V187-V253 HydrophobicContact CG2-CB 4.17Å; V187-V253 HydrophobicContact CG2-CG2 4.24Å; G188-V253 PolarHBondContact N-O 3.15Å; P239-V253 HydrophobicContact CB-CG2 4.19Å; P239-V253 HydrophobicContact CG-CG2 3.79Å; V253-R256 HydrophobicContact CG1-CB 3.87Å; V253-R256 HydrophobicContact CG1-CG 3.62Å
254	N	93	Very high	95.6	Very high	34 Å²	34	43.4 Å²	43.4	18%	0.182	22%	0.223	C	C	.	.			trans	-86	159.3	177.5	-71.8	-8.8	0	0	0	111.6	G188 E190 S191 Y192 K193 V252 R256	G188-N254 CarbonylContact O-C 3.58Å; G188-N254 WeakPolarHBondContact O-CA 3.28Å; E190-N254 WeakPolarHBondContact O-CA 3.17Å; E190-N254 WeakPolarHBondContact O-CB 3.21Å; S191-N254 PolarHBondContact O-ND2 3.01Å; S191-N254 VanDerWaalsContact O-ND2 3.07Å; Y192-N254 PolarHBondContact O-ND2 3.31Å; Y192-N254 VanDerWaalsContact O-ND2 3.1Å; Y192-N254 PolarHBondContact O-OD1 3.33Å; K193-N254 PolarHBondContact N-ND2 2.86Å; K193-N254 VanDerWaalsContact N-ND2 3.15Å; V252-N254 WeakPolarHBondContact CG1-OD1 3.34Å; N254-R256 PolarHBondContact O-N 3.01Å
255	G	92.3	Very high	96	Very high	5 Å²	5	41.6 Å²	41.6	5%	0.052	21%	0.213	C	C	.	.	S	Bend	trans	64.2	23.6	177.8	0	0	0	0	0	113.9	L145 S146 G188 E189 E190	L145-G255 WeakPolarHBondContact CA-O 3.39Å; S146-G255 PolarHBondContact N-O 3.32Å; G188-G255 PolarHBondContact O-N 2.92Å; E189-G255 WeakPolarHBondContact O-CA 3.47Å; E190-G255 PolarHBondContact O-N 3.14Å
256	R	92.9	Very high	96.2	Very high	15 Å²	15	40.6 Å²	40.6	6%	0.057	21%	0.209	C	C	.	.			trans	-128.9	138.6	178.7	-79.1	-62.9	-163.5	-132.1	-11	111	S146 S149 V187 G188 E189 V253 N254 D271 N272	S146-R256 PolarHBondContact O-NH1 2.86Å; S149-R256 PolarHBondContact O-NH2 3.37Å; S149-R256 VanDerWaalsContact O-NH2 3.12Å; V187-R256 HydrophobicContact CG1-CB 3.88Å; G188-R256 CarbonylContact C-O 3.56Å; G188-R256 WeakPolarHBondContact CA-O 3.45Å; G188-R256 PolarHBondContact O-N 2.86Å; E189-R256 WeakPolarHBondContact CA-O 3.25Å; E189-R256 PolarHBondContact N-O 3.4Å; E189-R256 VanDerWaalsContact N-O 3.1Å; V253-R256 HydrophobicContact CG1-CB 3.87Å; V253-R256 HydrophobicContact CG1-CG 3.62Å; N254-R256 PolarHBondContact O-N 3.01Å; R256-D271 WeakPolarHBondContact CA-OD1 3.42Å; R256-D271 WeakPolarHBondContact CD-OD1 3.45Å; R256-D271 IonicContact NH1-OD2 2.65Å; R256-D271 PolarHBondContact NH1-OD2 3.07Å; R256-N272 VanDerWaalsContact CZ-CG 3.42Å; R256-N272 PolarHBondContact NE-ND2 2.8Å; R256-N272 PolarHBondContact NH2-ND2 3.19Å
257	R	94.7	Very high	96.6	Very high	20 Å²	20	34.4 Å²	34.4	8%	0.075	18%	0.181	C	C	.	.			trans	-116	129.4	-178.4	-177.4	178.9	-65.2	-169.7	-0.4	109.5	N139 L145 E189 V259 L270 D271	N139-R257 PolarHBondContact O-NH2 3.49Å; N139-R257 VanDerWaalsContact OD1-CZ 3.24Å; N139-R257 PolarHBondContact OD1-NH1 3.18Å; N139-R257 VanDerWaalsContact OD1-NH1 3.15Å; N139-R257 PolarHBondContact OD1-NH2 3.48Å; L145-R257 HydrophobicContact CD1-CB 4.36Å; L145-R257 HydrophobicContact CD2-CB 4.14Å; E189-R257 HydrophobicContact CB-CB 4.47Å; E189-R257 IonicContact OE2-CZ 3.79Å; E189-R257 IonicContact OE2-NE 3.99Å; E189-R257 PolarHBondContact OE2-NE 2.98Å; E189-R257 IonicContact OE2-NH2 3.99Å; E189-R257 PolarHBondContact OE2-NH2 2.76Å; R257-V259 HydrophobicContact CB-CG1 4.3Å; R257-V259 HydrophobicContact CG-CG1 3.96Å; R257-V259 PolarHBondContact O-N 2.62Å; R257-L270 CarbonylContact O-C 3.6Å; R257-L270 VanDerWaalsContact O-CA 3.24Å; R257-L270 WeakPolarHBondContact O-CA 3.23Å; R257-D271 HydrophobicContact CB-CB 4.33Å; R257-D271 PolarHBondContact N-OD1 2.83Å; R257-D271 PolarHBondContact O-N 2.96Å
258	V	97	Very high	96.8	Very high	11 Å²	11	29.1 Å²	29.1	7%	0.067	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	118.3	161.4	-176.4	0	0	0	0	107.2	I162 V187 A268 H269 L270 L421	I162-V258 HydrophobicContact CD1-CB 4.22Å; I162-V258 HydrophobicContact CD1-CG1 4.02Å; I162-V258 HydrophobicContact CD1-CG2 4.07Å; I162-V258 HydrophobicContact CG1-CG2 4.02Å; I162-V258 HydrophobicContact CG2-CB 3.93Å; I162-V258 HydrophobicContact CG2-CG2 3.81Å; V187-V258 HydrophobicContact CB-CG2 4.46Å; V187-V258 HydrophobicContact CG1-CG2 4.29Å; V258-A268 HydrophobicContact CG1-CB 3.89Å; V258-A268 HydrophobicContact CG2-CB 4.45Å; V258-H269 CarbonylContact C-O 3.6Å; V258-H269 WeakPolarHBondContact CA-O 3.27Å; V258-L270 HydrophobicContact CB-CD2 4.35Å; V258-L270 HydrophobicContact CG2-CD2 3.63Å; V258-L421 HydrophobicContact CB-CD1 4.46Å; V258-L421 HydrophobicContact CG1-CD1 4.28Å; V258-L421 HydrophobicContact CG1-CD2 4.05Å
259	V	97	Very high	96.9	Very high	62 Å²	62	30.9 Å²	30.9	38%	0.376	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-15.7	-175.6	-64	0	0	0	0	113.1	R257 H269 D271	R257-V259 HydrophobicContact CB-CG1 4.3Å; R257-V259 HydrophobicContact CG-CG1 3.96Å; R257-V259 PolarHBondContact O-N 2.62Å; V259-H269 WeakPolarHBondContact CG2-O 3.38Å; V259-H269 PolarHBondContact N-O 3Å; V259-D271 HydrophobicContact CG1-CB 4.07Å
260	H	98.3	Very high	96.8	Very high	61 Å²	61	30.7 Å²	30.7	28%	0.282	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	134.9	175.2	-175.6	97.6	0	0	0	108.7	H269 S424	H260-H269 HydrophobicContact CB-CB 4.03Å; H260-H269 AromaticContact CD2-CD2 3.61Å; H260-H269 AromaticContact CD2-NE2 3.95Å; H260-H269 PolarHBondContact N-O 3.46Å; H260-H269 PolarHBondContact O-N 3.42Å; H260-S424 WeakPolarHBondContact ND1-CB 3.28Å
261	L	98.5	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	108.6	176.5	179.3	70	0	0	0	108.8	I162 V263 A268 Y278 I283 L421 S424 A425	I162-L261 HydrophobicContact CD1-CD1 4.14Å; I162-L261 HydrophobicContact CD1-CD2 4.35Å; L261-V263 HydrophobicContact CD2-CG2 4.32Å; L261-V263 HydrophobicContact CG-CG2 4.28Å; L261-A268 HydrophobicContact CD1-CB 4.06Å; L261-Y278 HydrophobicContact CD1-CD1 4.36Å; L261-Y278 HydrophobicContact CD1-CE1 3.42Å; L261-Y278 VanDerWaalsContact CD1-CE1 3.42Å; L261-I283 HydrophobicContact CD2-CD1 3.83Å; L261-I283 HydrophobicContact CD2-CG1 4.23Å; L261-L421 HydrophobicContact CB-CD2 4.27Å; L261-S424 PolarHBondContact N-OG 2.76Å; L261-S424 CarbonylContact O-C 3.58Å; L261-A425 HydrophobicContact CB-CB 4.11Å; L261-A425 HydrophobicContact CD2-CB 4.06Å; L261-A425 HydrophobicContact CG-CB 4.3Å; L261-A425 WeakPolarHBondContact O-CA 3.44Å; L261-A425 PolarHBondContact O-N 3.22Å
262	D	98.3	Very high	96.2	Very high	40 Å²	40	35.4 Å²	35.4	21%	0.214	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	111	171	-167.3	-32.9	0	0	0	108.7	I264 D265 H266 V267 Y278	D262-I264 PolarHBondContact OD1-N 3.14Å; D262-D265 PolarHBondContact OD1-N 3.29Å; D262-H266 WeakPolarHBondContact O-CA 3.4Å; D262-H266 PolarHBondContact O-N 3.39Å; D262-V267 HydrophobicContact CB-CB 4.44Å; D262-V267 PolarHBondContact N-O 3.34Å; D262-V267 PolarHBondContact O-N 2.92Å; D262-Y278 PolarHBondContact O-OH 2.77Å
263	V	98	Very high	96.1	Very high	23 Å²	23	37.7 Å²	37.7	14%	0.139	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-22.7	-179.5	179	0	0	0	0	111.9	L261 A425 R445 V448	L261-V263 HydrophobicContact CD2-CG2 4.32Å; L261-V263 HydrophobicContact CG-CG2 4.28Å; V263-A425 HydrophobicContact CG2-CB 3.71Å; V263-A425 WeakPolarHBondContact CG2-O 3.45Å; V263-R445 HydrophobicContact CG1-CB 3.83Å; V263-R445 HydrophobicContact CG1-CG 4.07Å; V263-V448 HydrophobicContact CG1-CG2 4Å; V263-V448 HydrophobicContact CG2-CG2 4.25Å
264	I	97.1	Very high	96	Very high	133 Å²	133	39.4 Å²	39.4	68%	0.682	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-46.1	-177.8	-63	176.9	0	0	0	110.2	D262	D262-I264 PolarHBondContact OD1-N 3.14Å
265	D	97.6	Very high	96.2	Very high	96 Å²	96	44.3 Å²	44.3	51%	0.513	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	0.5	-178.2	-73.5	-16.2	0	0	0	112.6	D262 V267	D262-D265 PolarHBondContact OD1-N 3.29Å; D265-V267 HydrophobicContact CB-CG2 4.4Å; D265-V267 WeakPolarHBondContact O-CG2 3.42Å
266	H	98.6	Very high	96.4	Very high	53 Å²	53	44 Å²	44	25%	0.245	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	48.2	-176.6	-62.2	78	0	0	0	113.6	D262 E277 Y278 D447	D262-H266 WeakPolarHBondContact O-CA 3.4Å; D262-H266 PolarHBondContact O-N 3.39Å; H266-E277 CarbonylContact O-C 3.42Å; H266-E277 VanDerWaalsContact O-CA 3.3Å; H266-E277 WeakPolarHBondContact O-CA 3.36Å; H266-Y278 HydrophobicContact CB-CD2 4.11Å; H266-Y278 HydrophobicContact CB-CE1 4.4Å; H266-Y278 HydrophobicContact CB-CE2 3.91Å; H266-Y278 HydrophobicContact CB-CG 4.46Å; H266-Y278 VanDerWaalsContact CB-O 3.29Å; H266-Y278 WeakPolarHBondContact CB-O 3.48Å; H266-Y278 AromaticContact CD2-CE2 3.67Å; H266-Y278 WeakPolarHBondContact O-CD1 3.16Å; H266-Y278 WeakPolarHBondContact O-CE1 3.35Å; H266-Y278 PolarHBondContact O-N 3.45Å; H266-D447 IonicContact NE2-OD2 3.55Å; H266-D447 PolarHBondContact NE2-OD2 3.41Å
267	V	98.6	Very high	96.7	Very high	26 Å²	26	47.2 Å²	47.2	16%	0.158	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.1	-178.5	-179.8	0	0	0	0	112.1	D262 D265 K275 I276 Y278	D262-V267 HydrophobicContact CB-CB 4.44Å; D262-V267 PolarHBondContact N-O 3.34Å; D262-V267 PolarHBondContact O-N 2.92Å; D265-V267 HydrophobicContact CB-CG2 4.4Å; D265-V267 WeakPolarHBondContact O-CG2 3.42Å; V267-K275 HydrophobicContact CG1-CB 3.93Å; V267-K275 HydrophobicContact CG1-CD 4.38Å; V267-K275 HydrophobicContact CG1-CG 4.39Å; V267-I276 WeakPolarHBondContact CA-O 3.35Å; V267-Y278 VanDerWaalsContact N-CE1 3.32Å
268	A	98.4	Very high	96.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134	168.3	0	0	0	0	0	110.5	L160 V258 L261 K275 I276 Y278	L160-A268 HydrophobicContact CD2-CB 3.37Å; V258-A268 HydrophobicContact CG1-CB 3.89Å; V258-A268 HydrophobicContact CG2-CB 4.45Å; L261-A268 HydrophobicContact CD1-CB 4.06Å; A268-K275 CarbonylContact O-C 3.54Å; A268-K275 WeakPolarHBondContact O-CA 3.38Å; A268-I276 PolarHBondContact N-O 3.22Å; A268-I276 PolarHBondContact O-N 3.17Å; A268-Y278 HydrophobicContact CB-CD1 4.42Å
269	H	97.8	Very high	97	Very high	43 Å²	43	47.4 Å²	47.4	20%	0.199	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.5	177	-58.7	-115.4	0	0	0	110.1	V258 V259 H260	V258-H269 CarbonylContact C-O 3.6Å; V258-H269 WeakPolarHBondContact CA-O 3.27Å; V259-H269 WeakPolarHBondContact CG2-O 3.38Å; V259-H269 PolarHBondContact N-O 3Å; H260-H269 HydrophobicContact CB-CB 4.03Å; H260-H269 AromaticContact CD2-CD2 3.61Å; H260-H269 AromaticContact CD2-NE2 3.95Å; H260-H269 PolarHBondContact N-O 3.46Å; H260-H269 PolarHBondContact O-N 3.42Å
270	L	95.9	Very high	97.1	Very high	3 Å²	3	47 Å²	47	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	163.2	177.9	-58.5	-171.1	0	0	0	112.6	L153 V187 R257 V258 N272 G273 Q274 I276	L153-L270 HydrophobicContact CD1-CD1 3.34Å; V187-L270 HydrophobicContact CG1-CD2 3.83Å; R257-L270 CarbonylContact O-C 3.6Å; R257-L270 VanDerWaalsContact O-CA 3.24Å; R257-L270 WeakPolarHBondContact O-CA 3.23Å; V258-L270 HydrophobicContact CB-CD2 4.35Å; V258-L270 HydrophobicContact CG2-CD2 3.63Å; L270-N272 VanDerWaalsContact CB-OD1 3.32Å; L270-N272 WeakPolarHBondContact CB-OD1 3.48Å; L270-N272 PolarHBondContact O-N 2.81Å; L270-N272 VanDerWaalsContact O-N 3.13Å; L270-G273 PolarHBondContact O-N 3.27Å; L270-Q274 HydrophobicContact CB-CB 4.49Å; L270-Q274 HydrophobicContact CD1-CB 4.31Å; L270-Q274 PolarHBondContact N-O 2.87Å; L270-I276 HydrophobicContact CD1-CD1 4.05Å; L270-I276 HydrophobicContact CD2-CD1 4.4Å; L270-I276 HydrophobicContact CG-CD1 4.3Å
271	D	93.6	Very high	97.1	Very high	51 Å²	51	44 Å²	44	27%	0.273	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-27.4	177.3	58.1	-76.7	0	0	0	114.3	L145 R256 R257 V259	L145-D271 HydrophobicContact CD1-CB 3.85Å; R256-D271 WeakPolarHBondContact CA-OD1 3.42Å; R256-D271 WeakPolarHBondContact CD-OD1 3.45Å; R256-D271 IonicContact NH1-OD2 2.65Å; R256-D271 PolarHBondContact NH1-OD2 3.07Å; R257-D271 HydrophobicContact CB-CB 4.33Å; R257-D271 PolarHBondContact N-OD1 2.83Å; R257-D271 PolarHBondContact O-N 2.96Å; V259-D271 HydrophobicContact CG1-CB 4.07Å
272	N	91	Very high	97.1	Very high	54 Å²	54	44 Å²	44	29%	0.289	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	6.6	178.6	71.1	-17.2	0	0	0	114.1	R256 L270 Q274	R256-N272 VanDerWaalsContact CZ-CG 3.42Å; R256-N272 PolarHBondContact NE-ND2 2.8Å; R256-N272 PolarHBondContact NH2-ND2 3.19Å; L270-N272 VanDerWaalsContact CB-OD1 3.32Å; L270-N272 WeakPolarHBondContact CB-OD1 3.48Å; L270-N272 PolarHBondContact O-N 2.81Å; L270-N272 VanDerWaalsContact O-N 3.13Å; N272-Q274 VanDerWaalsContact C-N 3.34Å; N272-Q274 PolarHBondContact ND2-OE1 3.16Å; N272-Q274 PolarHBondContact O-N 3.3Å; N272-Q274 WeakPolarHBondContact OD1-CB 3.46Å; N272-Q274 PolarHBondContact OD1-N 3.49Å
273	G	93	Very high	97.1	Very high	54 Å²	54	42.1 Å²	42.1	56%	0.557	23%	0.229	S	C	*	.	S	Bend	trans	83.9	-4.1	-179.6	0	0	0	0	0	115.8	L270	L270-G273 PolarHBondContact O-N 3.27Å
274	Q	94.3	Very high	97.2	Very high	44 Å²	44	41.5 Å²	41.5	21%	0.206	23%	0.226	C	C	.	.			trans	-62.4	145.7	169.9	-74.5	-179.7	-70.9	0	0	110.3	V151 L270 N272	V151-Q274 PolarHBondContact O-NE2 3.21Å; L270-Q274 HydrophobicContact CB-CB 4.49Å; L270-Q274 HydrophobicContact CD1-CB 4.31Å; L270-Q274 PolarHBondContact N-O 2.87Å; N272-Q274 VanDerWaalsContact C-N 3.34Å; N272-Q274 PolarHBondContact ND2-OE1 3.16Å; N272-Q274 PolarHBondContact O-N 3.3Å; N272-Q274 WeakPolarHBondContact OD1-CB 3.46Å; N272-Q274 PolarHBondContact OD1-N 3.49Å
275	K	96.9	Very high	97.2	Very high	136 Å²	136	36.5 Å²	36.5	59%	0.591	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.4	177.9	-59.6	-175.7	-173.6	-177	0	109.6	V267 A268	V267-K275 HydrophobicContact CG1-CB 3.93Å; V267-K275 HydrophobicContact CG1-CD 4.38Å; V267-K275 HydrophobicContact CG1-CG 4.39Å; A268-K275 CarbonylContact O-C 3.54Å; A268-K275 WeakPolarHBondContact O-CA 3.38Å
276	I	97.8	Very high	97.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	114	177.5	-55.5	168	0	0	0	107.4	L153 I157 L185 V187 V267 A268 L270	L153-I276 HydrophobicContact CD1-CD1 4.13Å; I157-I276 HydrophobicContact CG2-CG2 3.81Å; L185-I276 HydrophobicContact CD2-CD1 3.82Å; L185-I276 HydrophobicContact CD2-CG2 4.39Å; V187-I276 HydrophobicContact CG2-CD1 4.31Å; V267-I276 WeakPolarHBondContact CA-O 3.35Å; A268-I276 PolarHBondContact N-O 3.22Å; A268-I276 PolarHBondContact O-N 3.17Å; L270-I276 HydrophobicContact CD1-CD1 4.05Å; L270-I276 HydrophobicContact CD2-CD1 4.4Å; L270-I276 HydrophobicContact CG-CD1 4.3Å
277	E	98.6	Very high	97.1	Very high	81 Å²	81	30.6 Å²	30.6	38%	0.379	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.4	167.5	-169.7	-174.5	145.5	0	0	108.8	E155 K156 I157 H266	E155-E277 PolarHBondContact O-N 3.07Å; K156-E277 CarbonylContact C-O 3.51Å; K156-E277 VanDerWaalsContact CA-O 3.26Å; K156-E277 WeakPolarHBondContact CA-O 3.46Å; K156-E277 HydrophobicContact CB-CB 4.16Å; K156-E277 HydrophobicContact CD-CG 4.43Å; K156-E277 VanDerWaalsContact CE-OE1 3.28Å; K156-E277 WeakPolarHBondContact CE-OE1 3.04Å; K156-E277 HydrophobicContact CG-CB 4.15Å; K156-E277 HydrophobicContact CG-CG 4.34Å; K156-E277 IonicContact NZ-OE1 3.1Å; K156-E277 PolarHBondContact NZ-OE1 3.41Å; I157-E277 PolarHBondContact N-O 3.36Å; H266-E277 CarbonylContact O-C 3.42Å; H266-E277 VanDerWaalsContact O-CA 3.3Å; H266-E277 WeakPolarHBondContact O-CA 3.36Å
278	Y	98.7	Very high	96.9	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.4	179.7	60.5	-95.5	0	0	0	112.1	I157 L160 L261 D262 H266 V267 A268 C281	I157-Y278 CarbonylContact O-C 3.55Å; I157-Y278 VanDerWaalsContact O-CA 3.24Å; I157-Y278 WeakPolarHBondContact O-CA 3.19Å; L160-Y278 HydrophobicContact CB-CG 4.33Å; L160-Y278 HydrophobicContact CD2-CD1 3.87Å; L160-Y278 HydrophobicContact CD2-CG 4.29Å; L261-Y278 HydrophobicContact CD1-CD1 4.36Å; L261-Y278 HydrophobicContact CD1-CE1 3.42Å; L261-Y278 VanDerWaalsContact CD1-CE1 3.42Å; D262-Y278 PolarHBondContact O-OH 2.77Å; H266-Y278 HydrophobicContact CB-CD2 4.11Å; H266-Y278 HydrophobicContact CB-CE1 4.4Å; H266-Y278 HydrophobicContact CB-CE2 3.91Å; H266-Y278 HydrophobicContact CB-CG 4.46Å; H266-Y278 VanDerWaalsContact CB-O 3.29Å; H266-Y278 WeakPolarHBondContact CB-O 3.48Å; H266-Y278 AromaticContact CD2-CE2 3.67Å; H266-Y278 WeakPolarHBondContact O-CD1 3.16Å; H266-Y278 WeakPolarHBondContact O-CE1 3.35Å; H266-Y278 PolarHBondContact O-N 3.45Å; V267-Y278 VanDerWaalsContact N-CE1 3.32Å; A268-Y278 HydrophobicContact CB-CD1 4.42Å; Y278-C281 HydrophobicContact CD2-CB 3.65Å; Y278-C281 HydrophobicContact CE1-CB 4.48Å; Y278-C281 HydrophobicContact CE2-CB 3.54Å; Y278-C281 HydrophobicContact CG-CB 4.17Å
279	G	98.4	Very high	96.8	Very high	32 Å²	32	32.4 Å²	32.4	33%	0.33	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-55.6	166	0	0	0	0	0	110.8	I157 P158	I157-G279 PolarHBondContact O-N 3.2Å; P158-G279 CarbonylContact O-C 3.32Å; P158-G279 VanDerWaalsContact O-CA 3.28Å; P158-G279 WeakPolarHBondContact O-CA 3.47Å; P158-G279 PolarHBondContact O-N 2.82Å
280	K	98.8	Very high	96.7	Very high	53 Å²	53	34.7 Å²	34.7	23%	0.23	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	143.1	178	-63.9	-177.8	-178.2	-173.6	0	110.6	P158 Y159 L160 D447 W449 M484	P158-K280 PolarHBondContact O-N 3.3Å; Y159-K280 WeakPolarHBondContact CA-O 3.38Å; Y159-K280 HydrophobicContact CD1-CB 4.14Å; Y159-K280 HydrophobicContact CE1-CD 4.2Å; L160-K280 PolarHBondContact N-O 3Å; K280-D447 HydrophobicContact CG-CB 4.22Å; K280-W449 HydrophobicContact CB-CZ3 4.02Å; K280-W449 HydrophobicContact CD-CH2 4.06Å; K280-W449 HydrophobicContact CD-CZ3 3.94Å; K280-W449 HydrophobicContact CG-CZ3 4.08Å; K280-M484 HydrophobicContact CB-CE 3.91Å; K280-M484 HydrophobicContact CB-CG 4.39Å; K280-M484 HydrophobicContact CD-CB 4.17Å; K280-M484 WeakPolarHBondContact CD-O 3.44Å; K280-M484 VanDerWaalsContact CE-O 3.29Å; K280-M484 WeakPolarHBondContact CE-O 3.45Å; K280-M484 PolarHBondContact NZ-O 3.04Å
281	C	98.9	Very high	96.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.5	-176.4	-174.4	0	0	0	0	111.7	L160 I162 Y278 D447 V448 W449	L160-C281 CarbonylContact O-C 3.58Å; L160-C281 VanDerWaalsContact O-CA 3.26Å; L160-C281 WeakPolarHBondContact O-CA 2.99Å; I162-C281 VanDerWaalsContact CD1-SG 3.56Å; Y278-C281 HydrophobicContact CD2-CB 3.65Å; Y278-C281 HydrophobicContact CE1-CB 4.48Å; Y278-C281 HydrophobicContact CE2-CB 3.54Å; Y278-C281 HydrophobicContact CG-CB 4.17Å; C281-D447 PolarHBondContact N-O 2.62Å; C281-V448 HydrophobicContact CB-CG2 4.35Å; C281-V448 WeakPolarHBondContact O-CA 3.49Å; C281-W449 PolarHBondContact O-N 2.85Å
282	L	99	Very high	96.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128	164.6	176.7	61.2	0	0	0	109.6	L160 L161 I162 A171 A284 W449 A451 A480 M484	L160-L282 PolarHBondContact O-N 2.59Å; L161-L282 HydrophobicContact CB-CB 4.42Å; L161-L282 HydrophobicContact CD2-CB 3.53Å; L161-L282 HydrophobicContact CD2-CD2 4.09Å; L161-L282 HydrophobicContact CD2-CG 4.44Å; I162-L282 PolarHBondContact N-O 3Å; A171-L282 HydrophobicContact CB-CD2 3.31Å; L282-A284 HydrophobicContact CD2-CB 4.26Å; L282-A284 HydrophobicContact CG-CB 4.14Å; L282-W449 CarbonylContact C-O 3.56Å; L282-W449 WeakPolarHBondContact CA-O 3.31Å; L282-W449 HydrophobicContact CD1-CB 3.87Å; L282-A451 HydrophobicContact CD1-CB 3.92Å; L282-A480 HydrophobicContact CD1-CB 3.78Å; L282-M484 HydrophobicContact CB-CE 4.27Å; L282-M484 HydrophobicContact CB-SD 3.91Å
283	I	98.9	Very high	96.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.1	166.6	-54.4	176.2	0	0	0	108.2	L261 T285 L427 F436 V448 W449 V450 A451	L261-I283 HydrophobicContact CD2-CD1 3.83Å; L261-I283 HydrophobicContact CD2-CG1 4.23Å; I283-T285 HydrophobicContact CG2-CG2 3.92Å; I283-L427 HydrophobicContact CD1-CD1 3.4Å; I283-L427 VanDerWaalsContact CD1-CD1 3.4Å; I283-F436 HydrophobicContact CD1-CE1 4.4Å; I283-F436 HydrophobicContact CD1-CZ 4.37Å; I283-F436 HydrophobicContact CG2-CD2 4.19Å; I283-F436 HydrophobicContact CG2-CE2 3.63Å; I283-F436 HydrophobicContact CG2-CZ 4.06Å; I283-V448 HydrophobicContact CD1-CG1 3.93Å; I283-V448 HydrophobicContact CG1-CG1 4.12Å; I283-W449 PolarHBondContact N-O 3.12Å; I283-V450 HydrophobicContact CB-CG1 4.32Å; I283-V450 HydrophobicContact CB-CG2 4.25Å; I283-V450 VanDerWaalsContact O-CA 3.23Å; I283-V450 WeakPolarHBondContact O-CA 3.49Å; I283-V450 VanDerWaalsContact O-CG1 3.27Å; I283-V450 WeakPolarHBondContact O-CG1 3.17Å; I283-A451 PolarHBondContact O-N 3.44Å; I283-A451 VanDerWaalsContact O-N 3.07Å
284	A	98.8	Very high	96.3	Very high	9 Å²	9	39.4 Å²	39.4	7%	0.074	21%	0.206	C	C	.	.			trans	-136.3	44.3	179.5	0	0	0	0	0	109.8	I162 A167 S168 L282 G286	I162-A284 CarbonylContact O-C 3.58Å; I162-A284 VanDerWaalsContact O-CA 3.32Å; I162-A284 WeakPolarHBondContact O-CA 3.32Å; I162-A284 PolarHBondContact O-N 2.82Å; A167-A284 HydrophobicContact CB-CB 3.93Å; S168-A284 VanDerWaalsContact OG-CB 3.3Å; S168-A284 WeakPolarHBondContact OG-CB 3.06Å; L282-A284 HydrophobicContact CD2-CB 4.26Å; L282-A284 HydrophobicContact CG-CB 4.14Å; A284-G286 PolarHBondContact O-N 3.42Å
285	T	98.2	Very high	96.2	Very high	28 Å²	28	37.4 Å²	37.4	17%	0.172	20%	0.197	C	C	.	.			trans	-71.8	-5.9	-175.1	47.8	0	0	0	0	113.8	I162 I283 G287 N418	I162-T285 HydrophobicContact CG2-CG2 3.86Å; I162-T285 PolarHBondContact O-N 3.41Å; I283-T285 HydrophobicContact CG2-CG2 3.92Å; T285-G287 PolarHBondContact O-N 2.88Å; T285-N418 PolarHBondContact OG1-O 2.79Å
286	G	97.8	Very high	95.8	Very high	13 Å²	13	33.6 Å²	33.6	13%	0.134	19%	0.187	C	C	.	.			trans	61.3	-122.8	176.6	0	0	0	0	0	112.3	A284 N418 C454	A284-G286 PolarHBondContact O-N 3.42Å; G286-N418 PolarHBondContact O-N 3.27Å; G286-C454 VanDerWaalsContact O-CB 3.29Å; G286-C454 WeakPolarHBondContact O-CB 3.42Å
287	G	96.5	Very high	95.5	Very high	13 Å²	13	41 Å²	41	13%	0.134	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	172.7	178.8	0	0	0	0	0	112.6	T285 Q416	T285-G287 PolarHBondContact O-N 2.88Å; G287-Q416 CarbonylContact C-O 3.43Å; G287-Q416 WeakPolarHBondContact CA-O 3.44Å
288	Y	94.3	Very high	95.2	Very high	50 Å²	50	38.4 Å²	38.4	20%	0.196	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.7	177.8	51.2	-89.2	0	0	0	110.7	A138 N139 L415 Q416 N418	A138-Y288 HydrophobicContact CB-CE1 4.06Å; A138-Y288 HydrophobicContact CB-CE2 3.87Å; N139-Y288 HydrophobicContact CB-CG 4.47Å; Y288-L415 WeakPolarHBondContact O-CD1 3.44Å; Y288-Q416 HydrophobicContact CD2-CB 3.95Å; Y288-Q416 HydrophobicContact CE1-CB 4.3Å; Y288-Q416 HydrophobicContact CE1-CG 4.1Å; Y288-Q416 HydrophobicContact CE2-CB 3.52Å; Y288-Q416 HydrophobicContact CE2-CG 3.68Å; Y288-Q416 VanDerWaalsContact CZ-CG 3.41Å; Y288-Q416 PolarHBondContact N-O 3.07Å; Y288-Q416 PolarHBondContact O-N 2.93Å; Y288-Q416 VanDerWaalsContact OH-CG 3.25Å; Y288-Q416 WeakPolarHBondContact OH-CG 3.39Å; Y288-N418 HydrophobicContact CD1-CB 4.24Å
289	P	96.5	Very high	95	Very high	14 Å²	14	43.9 Å²	43.9	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	142.8	179.3	-24	34.5	0	0	0	112	L308 R310	P289-L308 HydrophobicContact CB-CB 3.89Å; P289-L308 HydrophobicContact CB-CD2 4.31Å; P289-L308 HydrophobicContact CG-CB 4.12Å; P289-R310 HydrophobicContact CG-CB 3.71Å; P289-R310 HydrophobicContact CG-CG 4.27Å
290	K	95.2	Very high	94.7	Very high	91 Å²	91	42.9 Å²	42.9	40%	0.396	23%	0.225	S	C	.	.			trans	-72.2	139.8	168.9	-67.4	-178.6	-179.2	179.8	0	109.6	L308 V413 G414 L415 Q416	K290-L308 WeakPolarHBondContact O-CD2 3.38Å; K290-V413 HydrophobicContact CB-CG2 3.94Å; K290-V413 WeakPolarHBondContact O-CG2 3.25Å; K290-G414 PolarHBondContact N-O 3.1Å; K290-L415 VanDerWaalsContact CE-O 3.26Å; K290-L415 WeakPolarHBondContact CE-O 3.44Å; K290-Q416 HydrophobicContact CG-CB 4.36Å
291	V	92.2	Very high	94.5	Very high	50 Å²	50	47 Å²	47	30%	0.303	24%	0.243	S	C	.	.			trans	-107	143.3	170.4	63.7	0	0	0	0	108.7	I295 Y306 L308	V291-I295 HydrophobicContact CG2-CB 4.35Å; V291-I295 HydrophobicContact CG2-CG2 4.25Å; V291-Y306 HydrophobicContact CG2-CE2 4.23Å; V291-L308 HydrophobicContact CB-CD1 4.16Å; V291-L308 HydrophobicContact CB-CD2 3.94Å; V291-L308 HydrophobicContact CG2-CD2 4.18Å
292	L	91.4	Very high	94.2	Very high	39 Å²	39	49.4 Å²	49.4	20%	0.204	25%	0.254	C	S	.	.			trans	-71.8	139.4	172.1	-70.8	178.5	0	0	0	110.2	E294 I295 S296 I331 V411 V413	L292-E294 WeakPolarHBondContact CB-OE2 3.37Å; L292-E294 PolarHBondContact O-N 3.31Å; L292-I295 HydrophobicContact CB-CB 4.44Å; L292-I295 HydrophobicContact CB-CD1 4.26Å; L292-I295 HydrophobicContact CB-CG1 4.29Å; L292-I295 HydrophobicContact CD1-CD1 4.29Å; L292-I295 PolarHBondContact O-N 2.86Å; L292-S296 PolarHBondContact O-N 2.89Å; L292-S296 PolarHBondContact O-OG 3.29Å; L292-I331 HydrophobicContact CD1-CD1 4.37Å; L292-I331 HydrophobicContact CD1-CG2 3.58Å; L292-V411 HydrophobicContact CG-CG1 4.3Å; L292-V413 HydrophobicContact CD1-CG1 4.42Å; L292-V413 HydrophobicContact CD2-CG1 4.22Å; L292-V413 HydrophobicContact CD2-CG2 4.18Å; L292-V413 HydrophobicContact CG-CG1 4.26Å; L292-V413 HydrophobicContact CG-CG2 4.28Å
293	D	91.4	Very high	93.7	Very high	100 Å²	100	50.2 Å²	50.2	54%	0.535	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-37.4	179.3	-75.8	-20.3	0	0	0	111.3	I295 S296 Q297	D293-I295 PolarHBondContact O-N 3.31Å; D293-I295 VanDerWaalsContact O-N 3.14Å; D293-S296 WeakPolarHBondContact CA-OG 3.38Å; D293-S296 PolarHBondContact O-N 3.15Å; D293-S296 PolarHBondContact O-OG 2.97Å; D293-Q297 VanDerWaalsContact O-CB 3.24Å; D293-Q297 WeakPolarHBondContact O-CB 3.47Å; D293-Q297 VanDerWaalsContact O-CG 3.27Å; D293-Q297 WeakPolarHBondContact O-CG 3.3Å; D293-Q297 PolarHBondContact O-N 3.32Å
294	E	90.3	Very high	93.4	Very high	71 Å²	71	58 Å²	58	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-24.4	177	-60.4	74.5	-163.9	0	0	112.9	L292 K385	L292-E294 WeakPolarHBondContact CB-OE2 3.37Å; L292-E294 PolarHBondContact O-N 3.31Å; E294-K385 WeakPolarHBondContact CG-O 3.34Å
295	I	91.8	Very high	93.2	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.015	29%	0.293	C	S	.	.	H	α-helix	trans	-96.4	-46.2	178	-65	176.4	0	0	0	110.2	V291 L292 D293 Q297 S298 Y306 I331 A387 V409 V411	V291-I295 HydrophobicContact CG2-CB 4.35Å; V291-I295 HydrophobicContact CG2-CG2 4.25Å; L292-I295 HydrophobicContact CB-CB 4.44Å; L292-I295 HydrophobicContact CB-CD1 4.26Å; L292-I295 HydrophobicContact CB-CG1 4.29Å; L292-I295 HydrophobicContact CD1-CD1 4.29Å; L292-I295 PolarHBondContact O-N 2.86Å; D293-I295 PolarHBondContact O-N 3.31Å; D293-I295 VanDerWaalsContact O-N 3.14Å; I295-Q297 VanDerWaalsContact C-N 3.29Å; I295-Q297 PolarHBondContact O-N 2.95Å; I295-S298 WeakPolarHBondContact O-CB 3.22Å; I295-S298 PolarHBondContact O-N 2.93Å; I295-S298 VanDerWaalsContact O-N 3.14Å; I295-S298 PolarHBondContact O-OG 3.35Å; I295-Y306 HydrophobicContact CG2-CD1 3.58Å; I295-Y306 HydrophobicContact CG2-CD2 4Å; I295-Y306 HydrophobicContact CG2-CE1 3.59Å; I295-Y306 HydrophobicContact CG2-CE2 4.03Å; I295-Y306 HydrophobicContact CG2-CG 3.78Å; I295-I331 HydrophobicContact CD1-CD1 3.77Å; I295-A387 HydrophobicContact CG1-CB 4.34Å; I295-V409 HydrophobicContact CD1-CG1 4.17Å; I295-V411 HydrophobicContact CD1-CG2 3.36Å
296	S	88.4	Confident	93.1	Very high	55 Å²	55	58.1 Å²	58.1	39%	0.385	29%	0.288	S	S	.	.	H	α-helix	trans	-65.3	-32.8	-177.3	70.2	0	0	0	0	112.6	L292 D293 S298	L292-S296 PolarHBondContact O-N 2.89Å; L292-S296 PolarHBondContact O-OG 3.29Å; D293-S296 WeakPolarHBondContact CA-OG 3.38Å; D293-S296 PolarHBondContact O-N 3.15Å; D293-S296 PolarHBondContact O-OG 2.97Å; S296-S298 VanDerWaalsContact C-N 3.34Å
297	Q	91.2	Very high	93.1	Very high	156 Å²	156	57.6 Å²	57.6	73%	0.729	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.8	177.7	-59.5	175.7	8.9	0	0	113.2	D293 I295	D293-Q297 VanDerWaalsContact O-CB 3.24Å; D293-Q297 WeakPolarHBondContact O-CB 3.47Å; D293-Q297 VanDerWaalsContact O-CG 3.27Å; D293-Q297 WeakPolarHBondContact O-CG 3.3Å; D293-Q297 PolarHBondContact O-N 3.32Å; I295-Q297 VanDerWaalsContact C-N 3.29Å; I295-Q297 PolarHBondContact O-N 2.95Å
298	S	92.6	Very high	93.1	Very high	27 Å²	27	57.3 Å²	57.3	19%	0.189	28%	0.278	C	S	.	.	S	Bend	trans	-84.5	173.7	177.4	77.7	0	0	0	0	112.2	I295 S296 L300 A387	I295-S298 WeakPolarHBondContact O-CB 3.22Å; I295-S298 PolarHBondContact O-N 2.93Å; I295-S298 VanDerWaalsContact O-N 3.14Å; I295-S298 PolarHBondContact O-OG 3.35Å; S296-S298 VanDerWaalsContact C-N 3.34Å; S298-L300 PolarHBondContact O-N 3.31Å; S298-L300 VanDerWaalsContact OG-CB 3.27Å; S298-L300 WeakPolarHBondContact OG-CB 3.01Å; S298-L300 VanDerWaalsContact OG-CG 3.25Å; S298-L300 WeakPolarHBondContact OG-CG 3.33Å; S298-L300 PolarHBondContact OG-N 2.78Å; S298-L300 VanDerWaalsContact OG-N 3.15Å; S298-A387 WeakPolarHBondContact CB-O 3.14Å
299	E	93.5	Very high	93.2	Very high	118 Å²	118	55.3 Å²	55.3	55%	0.551	27%	0.27	S	S	*	.	S	Bend	trans	-75.1	-0.3	171.5	68.5	-158.5	158.3	0	0	113.8	L389	E299-L389 HydrophobicContact CG-CB 3.94Å; E299-L389 WeakPolarHBondContact OE1-CB 3.47Å; E299-L389 PolarHBondContact OE1-N 3Å
300	L	94	Very high	93.2	Very high	11 Å²	11	57 Å²	57	6%	0.058	28%	0.275	C	S	.	.			trans	-69.6	146.6	179.7	-57.3	-174.9	0	0	0	111	S298 H305 Y306 A387 L389 I394	S298-L300 PolarHBondContact O-N 3.31Å; S298-L300 VanDerWaalsContact OG-CB 3.27Å; S298-L300 WeakPolarHBondContact OG-CB 3.01Å; S298-L300 VanDerWaalsContact OG-CG 3.25Å; S298-L300 WeakPolarHBondContact OG-CG 3.33Å; S298-L300 PolarHBondContact OG-N 2.78Å; S298-L300 VanDerWaalsContact OG-N 3.15Å; L300-H305 HydrophobicContact CB-CB 3.98Å; L300-H305 HydrophobicContact CD2-CB 3.94Å; L300-H305 HydrophobicContact CG-CB 4.4Å; L300-Y306 HydrophobicContact CB-CD1 3.86Å; L300-Y306 HydrophobicContact CB-CE1 4.04Å; L300-A387 HydrophobicContact CD1-CB 3.71Å; L300-L389 HydrophobicContact CD2-CB 4.11Å; L300-L389 HydrophobicContact CD2-CD1 4.25Å; L300-I394 HydrophobicContact CD1-CG2 3.81Å; L300-I394 HydrophobicContact CD2-CG1 4.1Å; L300-I394 HydrophobicContact CD2-CG2 4.43Å
301	K	93.2	Very high	93.2	Very high	138 Å²	138	53 Å²	53	60%	0.6	26%	0.257	S	S	*	.			trans	-116.6	129.2	-177.5	-64	-171.8	178.3	-173.2	0	109.5	R304 H305 Y306	K301-R304 HydrophobicContact CB-CB 4.34Å; K301-R304 PolarHBondContact O-N 2.9Å; K301-H305 PolarHBondContact N-ND1 3.34Å; K301-H305 VanDerWaalsContact N-ND1 3.18Å; K301-H305 PolarHBondContact O-N 3.45Å; K301-Y306 VanDerWaalsContact C-CE1 3.49Å
302	E	92.7	Very high	93.3	Very high	52 Å²	52	50.6 Å²	50.6	24%	0.243	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-56.9	141.5	173.3	-172.1	176.6	-172.1	0	0	110.1	H141 R142 R304 Y306 L308	H141-E302 IonicContact CD2-OE2 3.53Å; H141-E302 PolarHBondContact CD2-OE2 3.09Å; H141-E302 IonicContact NE2-OE2 2.9Å; H141-E302 PolarHBondContact NE2-OE2 3.45Å; R142-E302 IonicContact CZ-OE1 3.52Å; R142-E302 IonicContact NH1-OE1 2.86Å; R142-E302 PolarHBondContact NH1-OE1 2.79Å; R142-E302 IonicContact NH1-OE2 3.5Å; R142-E302 IonicContact NH2-OE1 3.73Å; E302-R304 PolarHBondContact O-N 3.32Å; E302-R304 VanDerWaalsContact O-N 3.1Å; E302-Y306 CarbonylContact C-O 3.54Å; E302-Y306 WeakPolarHBondContact CA-O 3.47Å; E302-Y306 HydrophobicContact CB-CD2 4.36Å; E302-Y306 HydrophobicContact CB-CE1 4.25Å; E302-Y306 HydrophobicContact CB-CE2 3.7Å; E302-Y306 HydrophobicContact CG-CD2 4.33Å; E302-Y306 HydrophobicContact CG-CE2 3.91Å; E302-Y306 VanDerWaalsContact N-CE1 3.28Å; E302-L308 WeakPolarHBondContact OE1-CB 3.5Å
303	G	89.2	Confident	93.4	Very high	17 Å²	17	50.6 Å²	50.6	18%	0.175	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	-15.4	-179.6	0	0	0	0	0	114.9	Y306 R317	G303-Y306 PolarHBondContact N-O 2.96Å; G303-R317 VanDerWaalsContact CA-NH1 3.3Å; G303-R317 WeakPolarHBondContact O-CD 3.33Å
304	R	91.9	Very high	93.6	Very high	164 Å²	164	46.1 Å²	46.1	62%	0.619	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-45	173.7	-179.6	-179.4	166.5	144.6	0.5	112.7	K301 E302	K301-R304 HydrophobicContact CB-CB 4.34Å; K301-R304 PolarHBondContact O-N 2.9Å; E302-R304 PolarHBondContact O-N 3.32Å; E302-R304 VanDerWaalsContact O-N 3.1Å
305	H	95.3	Very high	93.9	Very high	18 Å²	18	42.7 Å²	42.7	8%	0.083	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-33.3	-176.8	-58.9	140.9	0	0	0	111.7	L300 K301 I394 H408 V409	L300-H305 HydrophobicContact CB-CB 3.98Å; L300-H305 HydrophobicContact CD2-CB 3.94Å; L300-H305 HydrophobicContact CG-CB 4.4Å; K301-H305 PolarHBondContact N-ND1 3.34Å; K301-H305 VanDerWaalsContact N-ND1 3.18Å; K301-H305 PolarHBondContact O-N 3.45Å; H305-I394 HydrophobicContact CB-CD1 3.83Å; H305-I394 HydrophobicContact CB-CG1 4.29Å; H305-I394 WeakPolarHBondContact O-CD1 3.49Å; H305-H408 PolarHBondContact O-ND1 2.87Å; H305-V409 PolarHBondContact O-N 2.86Å
306	Y	96	Very high	94.1	Very high	21 Å²	21	44.9 Å²	44.9	8%	0.082	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	155.5	176.2	68.8	-88.2	0	0	0	112.4	V291 I295 L300 K301 E302 G303 L308 V409	V291-Y306 HydrophobicContact CG2-CE2 4.23Å; I295-Y306 HydrophobicContact CG2-CD1 3.58Å; I295-Y306 HydrophobicContact CG2-CD2 4Å; I295-Y306 HydrophobicContact CG2-CE1 3.59Å; I295-Y306 HydrophobicContact CG2-CE2 4.03Å; I295-Y306 HydrophobicContact CG2-CG 3.78Å; L300-Y306 HydrophobicContact CB-CD1 3.86Å; L300-Y306 HydrophobicContact CB-CE1 4.04Å; K301-Y306 VanDerWaalsContact C-CE1 3.49Å; E302-Y306 CarbonylContact C-O 3.54Å; E302-Y306 WeakPolarHBondContact CA-O 3.47Å; E302-Y306 HydrophobicContact CB-CD2 4.36Å; E302-Y306 HydrophobicContact CB-CE1 4.25Å; E302-Y306 HydrophobicContact CB-CE2 3.7Å; E302-Y306 HydrophobicContact CG-CD2 4.33Å; E302-Y306 HydrophobicContact CG-CE2 3.91Å; E302-Y306 VanDerWaalsContact N-CE1 3.28Å; G303-Y306 PolarHBondContact N-O 2.96Å; Y306-L308 HydrophobicContact CD2-CG 4.29Å; Y306-L308 HydrophobicContact CE2-CD1 4.31Å; Y306-L308 HydrophobicContact CE2-CG 4.05Å; Y306-V409 CarbonylContact C-O 3.59Å; Y306-V409 WeakPolarHBondContact CA-O 3.39Å; Y306-V409 WeakPolarHBondContact CB-O 3.36Å
307	T	96.5	Very high	94.3	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.2	173.6	-61.5	0	0	0	0	109.3	Y309 D314 H408 V409 I410 V411	T307-Y309 HydrophobicContact CG2-CD2 4.18Å; T307-D314 HydrophobicContact CG2-CB 3.97Å; T307-H408 PolarHBondContact N-NE2 3.18Å; T307-H408 PolarHBondContact OG1-NE2 2.83Å; T307-V409 PolarHBondContact N-O 2.89Å; T307-I410 WeakPolarHBondContact O-CA 3.37Å; T307-V411 PolarHBondContact O-N 2.64Å
308	L	96.7	Very high	94.5	Very high	8 Å²	8	40 Å²	40	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	106.8	162.7	-66.9	172.4	0	0	0	107.1	R142 P289 K290 V291 E302 Y306 D314 V411	R142-L308 VanDerWaalsContact NH1-CB 3.31Å; R142-L308 PolarHBondContact NH2-O 2.88Å; P289-L308 HydrophobicContact CB-CB 3.89Å; P289-L308 HydrophobicContact CB-CD2 4.31Å; P289-L308 HydrophobicContact CG-CB 4.12Å; K290-L308 WeakPolarHBondContact O-CD2 3.38Å; V291-L308 HydrophobicContact CB-CD1 4.16Å; V291-L308 HydrophobicContact CB-CD2 3.94Å; V291-L308 HydrophobicContact CG2-CD2 4.18Å; E302-L308 WeakPolarHBondContact OE1-CB 3.5Å; Y306-L308 HydrophobicContact CD2-CG 4.29Å; Y306-L308 HydrophobicContact CE2-CD1 4.31Å; Y306-L308 HydrophobicContact CE2-CG 4.05Å; L308-D314 VanDerWaalsContact O-CG 3.31Å; L308-D314 VanDerWaalsContact O-OD2 3.08Å; L308-V411 HydrophobicContact CD2-CB 3.76Å; L308-V411 HydrophobicContact CD2-CG1 3.97Å
309	Y	97.1	Very high	94.5	Very high	7 Å²	7	38.8 Å²	38.8	3%	0.027	18%	0.178	C	C	.	.			trans	-85.4	118.6	-164.5	-162.2	-89.6	0	0	0	112.7	L200 W205 T307 D314 F315 L318 L336 L340	L200-Y309 HydrophobicContact CB-CE1 4.2Å; L200-Y309 PolarHBondContact O-OH 3.43Å; W205-Y309 HydrophobicContact CZ2-CE2 4.31Å; W205-Y309 PolarHBondContact NE1-OH 3.43Å; T307-Y309 HydrophobicContact CG2-CD2 4.18Å; Y309-D314 HydrophobicContact CD2-CB 4.06Å; Y309-D314 HydrophobicContact CE2-CB 4.34Å; Y309-D314 HydrophobicContact CG-CB 4.49Å; Y309-F315 WeakPolarHBondContact OH-CB 3.34Å; Y309-F315 WeakPolarHBondContact OH-CD2 3.22Å; Y309-L318 HydrophobicContact CD2-CB 4.47Å; Y309-L318 HydrophobicContact CD2-CD2 3.67Å; Y309-L318 HydrophobicContact CE2-CB 4.07Å; Y309-L318 HydrophobicContact CE2-CD2 3.53Å; Y309-L318 HydrophobicContact CE2-CG 4.46Å; Y309-L336 HydrophobicContact CD1-CD1 4.1Å; Y309-L340 HydrophobicContact CD1-CD1 3.78Å; Y309-L340 HydrophobicContact CD1-CD2 4.1Å; Y309-L340 HydrophobicContact CD1-CG 4.46Å; Y309-L340 HydrophobicContact CD2-CD1 4.15Å; Y309-L340 HydrophobicContact CD2-CD2 4.32Å; Y309-L340 HydrophobicContact CE1-CD1 4.33Å; Y309-L340 HydrophobicContact CE1-CD2 3.8Å; Y309-L340 HydrophobicContact CE2-CD2 4.05Å; Y309-L340 HydrophobicContact CG-CD1 3.65Å; Y309-L340 HydrophobicContact CG-CD2 4.33Å
310	R	95.9	Very high	94.5	Very high	51 Å²	51	35.8 Å²	35.8	19%	0.192	17%	0.166	C	C	.	.			trans	-148.7	-44	-179.7	-174.2	60.4	-174.5	141.1	-7.4	116.1	R197 P289 D314 D453	R197-R310 PolarHBondContact NH1-O 2.91Å; R197-R310 VanDerWaalsContact NH1-O 3.07Å; P289-R310 HydrophobicContact CG-CB 3.71Å; P289-R310 HydrophobicContact CG-CG 4.27Å; R310-D314 PolarHBondContact N-OD2 3.38Å; R310-D453 IonicContact CZ-OD2 3.91Å; R310-D453 IonicContact NH2-OD2 3.44Å; R310-D453 PolarHBondContact NH2-OD2 3.36Å
311	D	95.2	Very high	94.5	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.032	17%	0.165	C	C	.	.	S	Bend	trans	-122.9	178.7	-166.3	61.9	41.8	0	0	0	113	Y143 Y195 A313 D314 F315	Y143-D311 WeakPolarHBondContact CE1-OD2 3.45Å; Y143-D311 PolarHBondContact OH-OD2 2.89Å; Y195-D311 WeakPolarHBondContact OH-CA 3.38Å; Y195-D311 VanDerWaalsContact OH-CB 3.26Å; Y195-D311 WeakPolarHBondContact OH-CB 3.32Å; D311-A313 PolarHBondContact O-N 3Å; D311-A313 WeakPolarHBondContact OD1-CA 3.33Å; D311-A313 WeakPolarHBondContact OD1-CB 3.21Å; D311-A313 PolarHBondContact OD1-N 3.21Å; D311-D314 PolarHBondContact N-OD2 3.46Å; D311-D314 WeakPolarHBondContact O-CB 3.43Å; D311-D314 PolarHBondContact O-N 3.1Å; D311-D314 PolarHBondContact OD1-N 3.43Å; D311-F315 PolarHBondContact O-N 2.83Å
312	V	95.7	Very high	94.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57	-38.4	178.5	166.5	0	0	0	0	112	Y192 Y195 L200 L216 D314 F315 L316	Y192-V312 HydrophobicContact CD1-CG1 4.21Å; Y192-V312 HydrophobicContact CD2-CB 3.87Å; Y192-V312 HydrophobicContact CD2-CG1 4.04Å; Y192-V312 HydrophobicContact CD2-CG2 4.49Å; Y192-V312 HydrophobicContact CE1-CG1 3.73Å; Y192-V312 HydrophobicContact CE2-CB 3.76Å; Y192-V312 HydrophobicContact CE2-CG1 3.56Å; Y192-V312 HydrophobicContact CG-CB 4.33Å; Y192-V312 HydrophobicContact CG-CG1 4.34Å; Y195-V312 HydrophobicContact CD1-CG2 4.37Å; Y195-V312 HydrophobicContact CD2-CG2 4.13Å; Y195-V312 HydrophobicContact CE1-CG2 4.05Å; Y195-V312 HydrophobicContact CE2-CG2 3.77Å; Y195-V312 HydrophobicContact CG-CG2 4.43Å; Y195-V312 PolarHBondContact OH-N 2.7Å; L200-V312 HydrophobicContact CD2-CG2 4.08Å; L216-V312 HydrophobicContact CD1-CB 4.46Å; L216-V312 HydrophobicContact CD1-CG1 3.55Å; L216-V312 HydrophobicContact CD1-CG2 4.03Å; L216-V312 HydrophobicContact CD2-CG1 3.58Å; L216-V312 HydrophobicContact CD2-CG2 4.41Å; L216-V312 HydrophobicContact CG-CG1 4.2Å; V312-D314 VanDerWaalsContact C-N 3.29Å; V312-D314 PolarHBondContact O-N 3.33Å; V312-F315 PolarHBondContact O-N 3.13Å; V312-L316 HydrophobicContact CG1-CD1 3.92Å; V312-L316 HydrophobicContact CG1-CG 4.28Å; V312-L316 WeakPolarHBondContact O-CG 3.42Å; V312-L316 PolarHBondContact O-N 3.31Å
313	A	93.5	Very high	94.4	Very high	38 Å²	38	33.5 Å²	33.5	31%	0.314	15%	0.151	S	C	.	.	H	α-helix	trans	-67.2	-35.2	-179.5	0	0	0	0	0	111	D311 R317	D311-A313 PolarHBondContact O-N 3Å; D311-A313 WeakPolarHBondContact OD1-CA 3.33Å; D311-A313 WeakPolarHBondContact OD1-CB 3.21Å; D311-A313 PolarHBondContact OD1-N 3.21Å; A313-R317 WeakPolarHBondContact O-CB 3.49Å; A313-R317 PolarHBondContact O-N 2.64Å
314	D	95.3	Very high	94.5	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.032	17%	0.174	C	C	.	.	H	α-helix	trans	-66.4	-42.7	172.7	-58.2	-42.5	0	0	0	112.1	R142 T307 L308 Y309 R310 D311 V312 L318	R142-D314 VanDerWaalsContact NH2-CG 3.32Å; R142-D314 IonicContact NH2-OD1 3.75Å; R142-D314 PolarHBondContact NH2-OD1 3.3Å; R142-D314 VanDerWaalsContact NH2-OD1 3.16Å; R142-D314 IonicContact NH2-OD2 3.48Å; R142-D314 PolarHBondContact NH2-OD2 3.03Å; T307-D314 HydrophobicContact CG2-CB 3.97Å; L308-D314 VanDerWaalsContact O-CG 3.31Å; L308-D314 VanDerWaalsContact O-OD2 3.08Å; Y309-D314 HydrophobicContact CD2-CB 4.06Å; Y309-D314 HydrophobicContact CE2-CB 4.34Å; Y309-D314 HydrophobicContact CG-CB 4.49Å; R310-D314 PolarHBondContact N-OD2 3.38Å; D311-D314 PolarHBondContact N-OD2 3.46Å; D311-D314 WeakPolarHBondContact O-CB 3.43Å; D311-D314 PolarHBondContact O-N 3.1Å; D311-D314 PolarHBondContact OD1-N 3.43Å; V312-D314 VanDerWaalsContact C-N 3.29Å; V312-D314 PolarHBondContact O-N 3.33Å; D314-L318 WeakPolarHBondContact O-CB 3.48Å; D314-L318 PolarHBondContact O-N 2.89Å
315	F	96.5	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.1	-55.2	174.5	165.5	-103.7	0	0	0	111.6	L200 L204 W205 A213 L216 Y309 D311 V312 R317 L318 E319	L200-F315 HydrophobicContact CD2-CB 3.91Å; L200-F315 HydrophobicContact CD2-CG 4.26Å; L204-F315 HydrophobicContact CB-CD2 4.33Å; L204-F315 HydrophobicContact CB-CE1 4.47Å; L204-F315 HydrophobicContact CB-CE2 3.62Å; L204-F315 HydrophobicContact CB-CZ 3.71Å; L204-F315 HydrophobicContact CD1-CD1 4.33Å; L204-F315 HydrophobicContact CD1-CD2 4.5Å; L204-F315 HydrophobicContact CD1-CE1 4.19Å; L204-F315 HydrophobicContact CD1-CE2 4.38Å; L204-F315 HydrophobicContact CD1-CG 4.49Å; L204-F315 HydrophobicContact CD1-CZ 4.24Å; L204-F315 HydrophobicContact CD2-CE1 4.36Å; L204-F315 HydrophobicContact CD2-CZ 4.2Å; L204-F315 HydrophobicContact CG-CZ 4.28Å; W205-F315 HydrophobicContact CD2-CE2 4.38Å; W205-F315 AromaticContact CE2-CD2 3.89Å; W205-F315 AromaticContact CE2-CE2 3.96Å; W205-F315 AromaticContact CZ2-CD2 3.94Å; W205-F315 HydrophobicContact CZ2-CD2 3.94Å; W205-F315 HydrophobicContact CZ2-CE2 4.23Å; W205-F315 AromaticContact NE1-CD2 3.77Å; W205-F315 AromaticContact NE1-CE2 3.98Å; A213-F315 HydrophobicContact CB-CZ 4.23Å; A213-F315 WeakPolarHBondContact O-CE1 2.99Å; L216-F315 HydrophobicContact CD2-CD1 4.22Å; L216-F315 HydrophobicContact CD2-CE1 4.37Å; Y309-F315 WeakPolarHBondContact OH-CB 3.34Å; Y309-F315 WeakPolarHBondContact OH-CD2 3.22Å; D311-F315 PolarHBondContact O-N 2.83Å; V312-F315 PolarHBondContact O-N 3.13Å; F315-R317 VanDerWaalsContact C-N 3.29Å; F315-R317 PolarHBondContact O-N 2.86Å; F315-L318 PolarHBondContact O-N 3.06Å; F315-L318 VanDerWaalsContact O-N 3.15Å; F315-E319 WeakPolarHBondContact O-CB 3.34Å; F315-E319 PolarHBondContact O-N 3.11Å
316	L	95	Very high	94.5	Very high	49 Å²	49	41 Å²	41	26%	0.257	18%	0.182	S	C	.	.	H	α-helix	trans	-60.1	-41	-177.9	-69.1	173.4	0	0	0	111.8	Q214 L216 V312 D320	Q214-L316 HydrophobicContact CB-CD2 4.37Å; Q214-L316 HydrophobicContact CG-CD2 4.28Å; L216-L316 HydrophobicContact CD2-CD2 4.27Å; L216-L316 HydrophobicContact CD2-CG 4.49Å; V312-L316 HydrophobicContact CG1-CD1 3.92Å; V312-L316 HydrophobicContact CG1-CG 4.28Å; V312-L316 WeakPolarHBondContact O-CG 3.42Å; V312-L316 PolarHBondContact O-N 3.31Å; L316-D320 PolarHBondContact O-N 3.39Å
317	R	94.1	Very high	94.5	Very high	107 Å²	107	40.2 Å²	40.2	40%	0.404	18%	0.18	S	C	.	.	H	α-helix	trans	-65.8	-44.7	176.9	-170.4	-167.8	-49.3	-110.2	4	111.4	G303 A313 F315 E319 D320 V321	G303-R317 VanDerWaalsContact CA-NH1 3.3Å; G303-R317 WeakPolarHBondContact O-CD 3.33Å; A313-R317 WeakPolarHBondContact O-CB 3.49Å; A313-R317 PolarHBondContact O-N 2.64Å; F315-R317 VanDerWaalsContact C-N 3.29Å; F315-R317 PolarHBondContact O-N 2.86Å; R317-E319 VanDerWaalsContact C-N 3.35Å; R317-D320 PolarHBondContact O-N 3.26Å; R317-V321 WeakPolarHBondContact O-CG2 3.36Å; R317-V321 PolarHBondContact O-N 2.85Å
318	L	94.8	Very high	94.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-71	-32.6	-178.4	-170.3	65.4	0	0	0	111.8	W205 Y309 D314 F315 D320 V321 S322 L340 L344 I410	W205-L318 HydrophobicContact CH2-CB 3.99Å; W205-L318 HydrophobicContact CH2-CD2 3.88Å; W205-L318 HydrophobicContact CH2-CG 3.71Å; W205-L318 HydrophobicContact CZ2-CB 4.15Å; W205-L318 HydrophobicContact CZ2-CD2 3.75Å; W205-L318 HydrophobicContact CZ2-CG 4.04Å; Y309-L318 HydrophobicContact CD2-CB 4.47Å; Y309-L318 HydrophobicContact CD2-CD2 3.67Å; Y309-L318 HydrophobicContact CE2-CB 4.07Å; Y309-L318 HydrophobicContact CE2-CD2 3.53Å; Y309-L318 HydrophobicContact CE2-CG 4.46Å; D314-L318 WeakPolarHBondContact O-CB 3.48Å; D314-L318 PolarHBondContact O-N 2.89Å; F315-L318 PolarHBondContact O-N 3.06Å; F315-L318 VanDerWaalsContact O-N 3.15Å; L318-D320 VanDerWaalsContact C-N 3.32Å; L318-D320 PolarHBondContact O-N 3.42Å; L318-V321 HydrophobicContact CD1-CB 4.25Å; L318-V321 HydrophobicContact CD1-CG1 4.23Å; L318-V321 PolarHBondContact O-N 3.08Å; L318-S322 WeakPolarHBondContact O-CB 3.5Å; L318-S322 PolarHBondContact O-N 3.22Å; L318-L340 HydrophobicContact CD2-CD2 4.42Å; L318-L344 HydrophobicContact CD2-CD1 4.42Å; L318-I410 HydrophobicContact CD1-CD1 3.63Å; L318-I410 HydrophobicContact CD1-CG1 3.78Å; L318-I410 HydrophobicContact CD2-CD1 3.38Å; L318-I410 HydrophobicContact CD2-CG1 4.08Å; L318-I410 HydrophobicContact CG-CD1 4.11Å
319	E	93.1	Very high	94.4	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	18%	0.178	C	C	.	.	H	α-helix	trans	-56.1	-49.5	170.6	-167.2	-81	154.1	0	0	109.9	R210 Q214 F315 R317 V321 S322 R323	R210-E319 WeakPolarHBondContact CG-OE1 3.41Å; R210-E319 IonicContact CZ-OE1 3.41Å; R210-E319 IonicContact CZ-OE2 2.63Å; R210-E319 IonicContact NE-OE1 3.81Å; R210-E319 PolarHBondContact NE-OE1 3.4Å; R210-E319 IonicContact NE-OE2 3.75Å; R210-E319 PolarHBondContact NE-OE2 3.3Å; R210-E319 VanDerWaalsContact NE-OE2 3.09Å; R210-E319 IonicContact NH2-OE1 2.84Å; R210-E319 IonicContact NH2-OE2 2.93Å; R210-E319 PolarHBondContact NH2-OE2 3.02Å; Q214-E319 PolarHBondContact NE2-OE2 3.48Å; F315-E319 WeakPolarHBondContact O-CB 3.34Å; F315-E319 PolarHBondContact O-N 3.11Å; R317-E319 VanDerWaalsContact C-N 3.35Å; E319-V321 PolarHBondContact O-N 3.27Å; E319-S322 PolarHBondContact O-N 2.84Å; E319-S322 PolarHBondContact O-OG 2.91Å; E319-R323 PolarHBondContact O-N 3.31Å; E319-R323 WeakPolarHBondContact OE1-CD 3.3Å; E319-R323 IonicContact OE1-NH1 3.09Å
320	D	93	Very high	94.4	Very high	56 Å²	56	39.5 Å²	39.5	30%	0.299	18%	0.176	S	C	.	.	H	α-helix	trans	-66.7	-35.5	178.2	-175.7	51.4	0	0	0	113.1	L316 R317 L318 R324	L316-D320 PolarHBondContact O-N 3.39Å; R317-D320 PolarHBondContact O-N 3.26Å; L318-D320 VanDerWaalsContact C-N 3.32Å; L318-D320 PolarHBondContact O-N 3.42Å; D320-R324 VanDerWaalsContact CG-NE 3.34Å; D320-R324 WeakPolarHBondContact O-CG 3.49Å; D320-R324 PolarHBondContact O-N 2.72Å; D320-R324 PolarHBondContact O-NE 3.1Å; D320-R324 IonicContact OD1-NE 3Å; D320-R324 PolarHBondContact OD1-NE 3.14Å; D320-R324 IonicContact OD2-CZ 2.95Å; D320-R324 IonicContact OD2-NE 3.9Å; D320-R324 PolarHBondContact OD2-NE 2.81Å; D320-R324 IonicContact OD2-NH1 3.37Å; D320-R324 IonicContact OD2-NH2 2.62Å; D320-R324 PolarHBondContact OD2-NH2 2.85Å
321	V	93.7	Very high	94.3	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-63.3	-45.7	171.8	167.5	0	0	0	0	111	R317 L318 E319 R323 R324 S325 V328 H408	R317-V321 WeakPolarHBondContact O-CG2 3.36Å; R317-V321 PolarHBondContact O-N 2.85Å; L318-V321 HydrophobicContact CD1-CB 4.25Å; L318-V321 HydrophobicContact CD1-CG1 4.23Å; L318-V321 PolarHBondContact O-N 3.08Å; E319-V321 PolarHBondContact O-N 3.27Å; V321-R323 PolarHBondContact O-N 3.41Å; V321-R323 VanDerWaalsContact O-N 3.07Å; V321-R324 PolarHBondContact O-N 2.89Å; V321-R324 VanDerWaalsContact O-N 3.09Å; V321-S325 VanDerWaalsContact O-CB 3.28Å; V321-S325 WeakPolarHBondContact O-CB 3.39Å; V321-S325 PolarHBondContact O-N 3.45Å; V321-S325 PolarHBondContact O-OG 2.84Å; V321-V328 HydrophobicContact CG1-CG2 4.13Å; V321-H408 HydrophobicContact CG1-CB 3.6Å
322	S	92.7	Very high	94.2	Very high	5 Å²	5	37.5 Å²	37.5	4%	0.035	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-22.9	-176.4	77	0	0	0	0	113.6	L318 E319	L318-S322 WeakPolarHBondContact O-CB 3.5Å; L318-S322 PolarHBondContact O-N 3.22Å; E319-S322 PolarHBondContact O-N 2.84Å; E319-S322 PolarHBondContact O-OG 2.91Å
323	R	90.4	Very high	94	Very high	140 Å²	140	37.8 Å²	37.8	53%	0.528	17%	0.174	S	C	.	.	H	α-helix	trans	-93.6	-23.9	178.6	-59.6	-175.4	85.5	101.6	5.2	114.2	E319 V321	E319-R323 PolarHBondContact O-N 3.31Å; E319-R323 WeakPolarHBondContact OE1-CD 3.3Å; E319-R323 IonicContact OE1-NH1 3.09Å; V321-R323 PolarHBondContact O-N 3.41Å; V321-R323 VanDerWaalsContact O-N 3.07Å
324	R	92.2	Very high	94	Very high	170 Å²	170	37.6 Å²	37.6	64%	0.642	18%	0.176	S	C	*	.	H	α-helix	trans	-100.6	-28.8	-175.5	-67.5	-175.5	-64.2	146.1	-1	113.1	D320 V321	D320-R324 VanDerWaalsContact CG-NE 3.34Å; D320-R324 WeakPolarHBondContact O-CG 3.49Å; D320-R324 PolarHBondContact O-N 2.72Å; D320-R324 PolarHBondContact O-NE 3.1Å; D320-R324 IonicContact OD1-NE 3Å; D320-R324 PolarHBondContact OD1-NE 3.14Å; D320-R324 IonicContact OD2-CZ 2.95Å; D320-R324 IonicContact OD2-NE 3.9Å; D320-R324 PolarHBondContact OD2-NE 2.81Å; D320-R324 IonicContact OD2-NH1 3.37Å; D320-R324 IonicContact OD2-NH2 2.62Å; D320-R324 PolarHBondContact OD2-NH2 2.85Å; V321-R324 PolarHBondContact O-N 2.89Å; V321-R324 VanDerWaalsContact O-N 3.09Å
325	S	93.9	Very high	94	Very high	26 Å²	26	38.7 Å²	38.7	18%	0.182	18%	0.18	C	C	.	.			trans	-83.2	151.3	-178.7	-68.7	0	0	0	0	111.7	V321 L353	V321-S325 VanDerWaalsContact O-CB 3.28Å; V321-S325 WeakPolarHBondContact O-CB 3.39Å; V321-S325 PolarHBondContact O-N 3.45Å; V321-S325 PolarHBondContact O-OG 2.84Å; S325-L353 WeakPolarHBondContact O-CD1 3.15Å
326	K	94.4	Very high	94	Very high	162 Å²	162	41.6 Å²	41.6	70%	0.704	20%	0.196	S	C	*	.	S	Bend	trans	-91.8	-28	171.7	-63.3	-174.2	178.7	-175	0	111.8	E354 D407	K326-E354 PolarHBondContact O-N 2.95Å; K326-D407 WeakPolarHBondContact CA-OD2 3.4Å; K326-D407 WeakPolarHBondContact CB-OD2 3.42Å; K326-D407 PolarHBondContact N-OD2 3.4Å
327	S	95.4	Very high	94.1	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.028	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	142.1	174.4	62.4	0	0	0	0	114	E354 T406 D407 H408	S327-E354 CarbonylContact C-O 3.5Å; S327-E354 WeakPolarHBondContact CA-O 3.02Å; S327-E354 WeakPolarHBondContact CB-OE2 3.47Å; S327-T406 PolarHBondContact O-OG1 2.86Å; S327-T406 WeakPolarHBondContact OG-CA 3.49Å; S327-D407 PolarHBondContact N-OD2 3.09Å; S327-D407 VanDerWaalsContact O-CB 3.29Å; S327-D407 WeakPolarHBondContact O-CB 3.49Å; S327-D407 PolarHBondContact O-N 3.18Å; S327-D407 VanDerWaalsContact O-N 3.07Å; S327-D407 PolarHBondContact OG-N 2.81Å; S327-H408 PolarHBondContact O-N 2.95Å
328	V	96.1	Very high	94.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.5	175.6	172.1	0	0	0	0	108.9	V321 L344 L353 E354 I356 H408 I410	V321-V328 HydrophobicContact CG1-CG2 4.13Å; V328-L344 HydrophobicContact CG1-CD1 4.02Å; V328-L353 HydrophobicContact CB-CD1 4.48Å; V328-L353 HydrophobicContact CG2-CD1 3.92Å; V328-E354 PolarHBondContact N-O 2.82Å; V328-I356 PolarHBondContact O-N 3.18Å; V328-H408 WeakPolarHBondContact CA-O 3.17Å; V328-H408 HydrophobicContact CG2-CB 4.27Å; V328-I410 HydrophobicContact CG1-CD1 3.67Å; V328-I410 HydrophobicContact CG1-CG1 3.99Å
329	T	95.3	Very high	94.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.5	174.4	-54.7	0	0	0	0	111.2	I331 I356 T358 L396 L404 T406 H408 V409 I410	T329-I331 HydrophobicContact CG2-CG1 4.43Å; T329-I356 CarbonylContact C-O 3.55Å; T329-I356 VanDerWaalsContact CA-O 3.24Å; T329-I356 WeakPolarHBondContact CA-O 3.49Å; T329-I356 HydrophobicContact CG2-CB 4.23Å; T329-I356 HydrophobicContact CG2-CG2 4.25Å; T329-T358 HydrophobicContact CG2-CG2 3.81Å; T329-L396 HydrophobicContact CG2-CD1 3.71Å; T329-L404 HydrophobicContact CG2-CD2 3.73Å; T329-L404 WeakPolarHBondContact OG1-CD2 3.47Å; T329-T406 PolarHBondContact N-OG1 3.33Å; T329-T406 WeakPolarHBondContact OG1-CB 3.17Å; T329-T406 WeakPolarHBondContact OG1-CG2 3.24Å; T329-T406 PolarHBondContact OG1-OG1 2.93Å; T329-H408 PolarHBondContact N-O 3.48Å; T329-V409 CarbonylContact O-C 3.58Å; T329-V409 VanDerWaalsContact O-CA 3.26Å; T329-V409 WeakPolarHBondContact O-CA 3.17Å; T329-I410 PolarHBondContact O-N 2.9Å
330	I	95.5	Very high	94.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.6	171	-54.3	106.6	0	0	0	109.3	A341 L344 V355 I356 T358 I410	I330-A341 HydrophobicContact CD1-CB 4.01Å; I330-L344 HydrophobicContact CD1-CD1 4.18Å; I330-L344 HydrophobicContact CG1-CD1 4.42Å; I330-V355 HydrophobicContact CD1-CG1 3.36Å; I330-I356 PolarHBondContact N-O 2.93Å; I330-T358 PolarHBondContact O-N 2.95Å; I330-I410 CarbonylContact C-O 3.59Å; I330-I410 WeakPolarHBondContact CA-O 3.29Å; I330-I410 HydrophobicContact CB-CB 4.5Å; I330-I410 HydrophobicContact CG1-CB 4.16Å; I330-I410 HydrophobicContact CG1-CD1 3.84Å; I330-I410 HydrophobicContact CG1-CG1 4.49Å; I330-I410 HydrophobicContact CG2-CB 4.42Å; I330-I410 HydrophobicContact CG2-CG2 4.48Å
331	I	94.6	Very high	94.3	Very high	9 Å²	9	32.8 Å²	32.8	5%	0.046	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.2	173.7	-55	171.9	0	0	0	108.8	L292 I295 T329 T358 X384 L396 V409 I410 A412 V413	L292-I331 HydrophobicContact CD1-CD1 4.37Å; L292-I331 HydrophobicContact CD1-CG2 3.58Å; I295-I331 HydrophobicContact CD1-CD1 3.77Å; T329-I331 HydrophobicContact CG2-CG1 4.43Å; I331-T358 WeakPolarHBondContact CA-O 3.26Å; I331-T358 HydrophobicContact CB-CG2 4.42Å; I331-T358 HydrophobicContact CG1-CG2 3.8Å; I331-A384 HydrophobicContact CD1-CB 4.49Å; I331-L396 HydrophobicContact CD1-CD1 4.1Å; I331-V409 HydrophobicContact CD1-CG1 3.53Å; I331-V409 HydrophobicContact CG1-CG1 4.02Å; I331-I410 PolarHBondContact N-O 2.89Å; I331-A412 PolarHBondContact O-N 3.32Å; I331-V413 HydrophobicContact CG2-CG1 4.31Å
332	G	93.2	Very high	94.3	Very high	6 Å²	6	34.3 Å²	34.3	6%	0.062	17%	0.169	C	C	.	.			trans	128.7	120.2	177.8	0	0	0	0	0	112.4	G334 H357 T358	G332-G334 VanDerWaalsContact C-N 3.33Å; G332-G334 PolarHBondContact O-N 3.26Å; G332-H357 PolarHBondContact O-NE2 3.39Å; G332-T358 PolarHBondContact N-O 3.28Å
333	G	91.4	Very high	94.3	Very high	6 Å²	6	34.1 Å²	34.1	6%	0.062	17%	0.167	C	C	.	.			trans	-89.9	11.3	-177.8	0	0	0	0	0	114.1	F359 L365	G333-F359 VanDerWaalsContact CA-CD1 3.48Å; G333-F359 VanDerWaalsContact N-CB 3.3Å; G333-L365 VanDerWaalsContact O-CA 3.3Å; G333-L365 WeakPolarHBondContact O-CA 2.9Å; G333-L365 PolarHBondContact O-N 3.22Å
334	G	93.9	Very high	94.5	Very high	35 Å²	35	27.4 Å²	27.4	36%	0.361	14%	0.142	S	C	.	.	S	Bend	trans	-74.9	-179.8	176.7	0	0	0	0	0	112.9	G332 L336 G337 T338 L365	G332-G334 VanDerWaalsContact C-N 3.33Å; G332-G334 PolarHBondContact O-N 3.26Å; G334-L336 PolarHBondContact O-N 3.39Å; G334-G337 PolarHBondContact O-N 3.41Å; G334-T338 WeakPolarHBondContact O-CB 3.16Å; G334-T338 PolarHBondContact O-N 2.93Å; G334-T338 PolarHBondContact O-OG1 2.83Å; G334-L365 VanDerWaalsContact C-CD2 3.44Å
335	F	95.1	Very high	94.4	Very high	28 Å²	28	20.2 Å²	20.2	12%	0.123	12%	0.119	C	C	.	.	H	α-helix	trans	-56.1	-52.3	179.5	-71.5	-73.8	0	0	0	112.3	G337 T338 E339 L365 V368 F497 S499 F507	F335-G337 PolarHBondContact O-N 2.91Å; F335-T338 PolarHBondContact O-N 2.91Å; F335-T338 VanDerWaalsContact O-N 3.12Å; F335-E339 WeakPolarHBondContact O-CB 3.31Å; F335-E339 WeakPolarHBondContact O-CG 3.42Å; F335-E339 PolarHBondContact O-N 3.47Å; F335-L365 HydrophobicContact CB-CD2 4.27Å; F335-L365 HydrophobicContact CD1-CD1 3.91Å; F335-L365 HydrophobicContact CD1-CD2 3.51Å; F335-L365 HydrophobicContact CD1-CG 4.37Å; F335-L365 HydrophobicContact CD2-CD2 4.14Å; F335-L365 HydrophobicContact CE1-CD1 3.59Å; F335-L365 HydrophobicContact CE1-CD2 3.83Å; F335-L365 HydrophobicContact CE1-CG 4.32Å; F335-L365 HydrophobicContact CE2-CD2 4.41Å; F335-L365 HydrophobicContact CG-CD2 3.7Å; F335-L365 HydrophobicContact CZ-CD1 4.3Å; F335-L365 HydrophobicContact CZ-CD2 4.26Å; F335-L365 VanDerWaalsContact N-CD2 3.34Å; F335-V368 HydrophobicContact CE2-CB 4.43Å; F335-V368 HydrophobicContact CE2-CG1 4.22Å; F335-V368 HydrophobicContact CE2-CG2 4.04Å; F335-V368 HydrophobicContact CZ-CG1 4.17Å; F335-F497 HydrophobicContact CB-CE1 4.14Å; F335-F497 HydrophobicContact CB-CZ 3.67Å; F335-F497 AromaticContact CD1-CE1 3.84Å; F335-F497 HydrophobicContact CD1-CE1 3.84Å; F335-F497 HydrophobicContact CD1-CZ 4.24Å; F335-F497 HydrophobicContact CD2-CD1 4.27Å; F335-F497 AromaticContact CD2-CE1 3.3Å; F335-F497 HydrophobicContact CD2-CE1 3.3Å; F335-F497 AromaticContact CD2-CZ 3.51Å; F335-F497 HydrophobicContact CD2-CZ 3.51Å; F335-F497 AromaticContact CE1-CE1 3.99Å; F335-F497 HydrophobicContact CE1-CE1 3.99Å; F335-F497 HydrophobicContact CE2-CD1 4.09Å; F335-F497 AromaticContact CE2-CE1 3.47Å; F335-F497 HydrophobicContact CE2-CE1 3.47Å; F335-F497 VanDerWaalsContact CE2-CE1 3.47Å; F335-F497 HydrophobicContact CE2-CZ 4.16Å; F335-F497 AromaticContact CG-CE1 3.49Å; F335-F497 HydrophobicContact CG-CE1 3.49Å; F335-F497 VanDerWaalsContact CG-CE1 3.49Å; F335-F497 AromaticContact CG-CZ 3.55Å; F335-F497 HydrophobicContact CG-CZ 3.55Å; F335-F497 HydrophobicContact CZ-CD1 4.41Å; F335-F497 AromaticContact CZ-CE1 3.81Å; F335-F497 HydrophobicContact CZ-CE1 3.81Å; F335-S499 WeakPolarHBondContact CD1-OG 3.35Å; F335-F507 HydrophobicContact CE1-CB 4.03Å; F335-F507 HydrophobicContact CE1-CD2 4.34Å; F335-F507 HydrophobicContact CE1-CG 4.24Å
336	L	97.2	Very high	94	Very high	62 Å²	62	21.5 Å²	21.5	33%	0.325	12%	0.124	S	C	.	.	H	α-helix	trans	-57.6	-44.9	179.6	178.7	61.8	0	0	0	113	Y309 G334 T338 E339 L340 A412	Y309-L336 HydrophobicContact CD1-CD1 4.1Å; G334-L336 PolarHBondContact O-N 3.39Å; L336-T338 VanDerWaalsContact C-N 3.31Å; L336-T338 PolarHBondContact O-N 2.93Å; L336-E339 PolarHBondContact O-N 3.05Å; L336-L340 HydrophobicContact CD1-CD1 4.06Å; L336-L340 HydrophobicContact CD1-CG 4.25Å; L336-L340 HydrophobicContact CG-CD1 4.11Å; L336-L340 WeakPolarHBondContact O-CB 3.29Å; L336-L340 VanDerWaalsContact O-CG 3.3Å; L336-L340 WeakPolarHBondContact O-CG 3.44Å; L336-L340 PolarHBondContact O-N 3.32Å; L336-A412 HydrophobicContact CD2-CB 4.37Å; L336-A412 HydrophobicContact CG-CB 4.33Å
337	G	95.6	Very high	93.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64	-38.7	178.5	0	0	0	0	0	112.2	G334 F335 A341	G334-G337 PolarHBondContact O-N 3.41Å; F335-G337 PolarHBondContact O-N 2.91Å; G337-A341 WeakPolarHBondContact O-CB 3.3Å; G337-A341 PolarHBondContact O-N 3.2Å
338	T	93.8	Very high	92.9	Very high	7 Å²	7	16.4 Å²	16.4	4%	0.043	10%	0.103	C	C	.	.	H	α-helix	trans	-71.6	-41.7	178.1	-48.4	0	0	0	0	111.7	G334 F335 L336 L340 A341 C342 C364 L501	G334-T338 WeakPolarHBondContact O-CB 3.16Å; G334-T338 PolarHBondContact O-N 2.93Å; G334-T338 PolarHBondContact O-OG1 2.83Å; F335-T338 PolarHBondContact O-N 2.91Å; F335-T338 VanDerWaalsContact O-N 3.12Å; L336-T338 VanDerWaalsContact C-N 3.31Å; L336-T338 PolarHBondContact O-N 2.93Å; T338-L340 VanDerWaalsContact C-N 3.35Å; T338-L340 PolarHBondContact O-N 2.93Å; T338-A341 WeakPolarHBondContact O-CB 3.32Å; T338-A341 PolarHBondContact O-N 3.39Å; T338-C342 PolarHBondContact O-N 3.31Å; T338-C342 PolarHBondContact O-SG 2.75Å; T338-C342 VanDerWaalsContact O-SG 3.38Å; T338-C364 HydrophobicContact CG2-CB 4.39Å; T338-L501 HydrophobicContact CG2-CD1 3.78Å; T338-L501 HydrophobicContact CG2-CD2 3.8Å; T338-L501 HydrophobicContact CG2-CG 4.47Å
339	E	96.1	Very high	92.2	Very high	9 Å²	9	22.1 Å²	22.1	4%	0.042	13%	0.129	C	C	.	.	H	α-helix	trans	-56.1	-49.1	172.6	-73.8	178.9	-179.4	0	0	110.9	S201 K202 F335 L336 A341 C342 A343 S499 L501	S201-E339 WeakPolarHBondContact CB-OE2 3.36Å; S201-E339 PolarHBondContact OG-OE2 3.02Å; K202-E339 WeakPolarHBondContact CE-OE1 3.43Å; K202-E339 IonicContact NZ-OE1 2.8Å; K202-E339 PolarHBondContact NZ-OE1 3.31Å; K202-E339 IonicContact NZ-OE2 3.16Å; K202-E339 PolarHBondContact NZ-OE2 3.15Å; F335-E339 WeakPolarHBondContact O-CB 3.31Å; F335-E339 WeakPolarHBondContact O-CG 3.42Å; F335-E339 PolarHBondContact O-N 3.47Å; L336-E339 PolarHBondContact O-N 3.05Å; E339-A341 VanDerWaalsContact C-N 3.34Å; E339-A341 PolarHBondContact O-N 3.41Å; E339-C342 PolarHBondContact O-N 3.16Å; E339-A343 VanDerWaalsContact O-CB 3.27Å; E339-A343 WeakPolarHBondContact O-CB 3.37Å; E339-A343 PolarHBondContact O-N 2.82Å; E339-S499 WeakPolarHBondContact CG-OG 3.06Å; E339-S499 WeakPolarHBondContact OE1-CA 3.46Å; E339-S499 VanDerWaalsContact OE1-CB 3.29Å; E339-S499 WeakPolarHBondContact OE1-CB 3.39Å; E339-S499 PolarHBondContact OE1-OG 2.65Å; E339-L501 HydrophobicContact CG-CD2 3.84Å
340	L	96.7	Very high	91.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-36.2	178.2	-69.6	171.9	0	0	0	112.6	Y309 L318 L336 T338 L344 I410	Y309-L340 HydrophobicContact CD1-CD1 3.78Å; Y309-L340 HydrophobicContact CD1-CD2 4.1Å; Y309-L340 HydrophobicContact CD1-CG 4.46Å; Y309-L340 HydrophobicContact CD2-CD1 4.15Å; Y309-L340 HydrophobicContact CD2-CD2 4.32Å; Y309-L340 HydrophobicContact CE1-CD1 4.33Å; Y309-L340 HydrophobicContact CE1-CD2 3.8Å; Y309-L340 HydrophobicContact CE2-CD2 4.05Å; Y309-L340 HydrophobicContact CG-CD1 3.65Å; Y309-L340 HydrophobicContact CG-CD2 4.33Å; L318-L340 HydrophobicContact CD2-CD2 4.42Å; L336-L340 HydrophobicContact CD1-CD1 4.06Å; L336-L340 HydrophobicContact CD1-CG 4.25Å; L336-L340 HydrophobicContact CG-CD1 4.11Å; L336-L340 WeakPolarHBondContact O-CB 3.29Å; L336-L340 VanDerWaalsContact O-CG 3.3Å; L336-L340 WeakPolarHBondContact O-CG 3.44Å; L336-L340 PolarHBondContact O-N 3.32Å; T338-L340 VanDerWaalsContact C-N 3.35Å; T338-L340 PolarHBondContact O-N 2.93Å; L340-L344 VanDerWaalsContact O-CB 3.31Å; L340-L344 WeakPolarHBondContact O-CB 3.38Å; L340-L344 VanDerWaalsContact O-CG 3.31Å; L340-L344 WeakPolarHBondContact O-CG 3.46Å; L340-L344 PolarHBondContact O-N 2.79Å; L340-I410 HydrophobicContact CD1-CG2 3.89Å
341	A	93.8	Very high	90.8	Very high	12 Å²	12	29.3 Å²	29.3	10%	0.099	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-47.8	174.2	0	0	0	0	0	111.2	I330 G337 T338 E339 A345 H357	I330-A341 HydrophobicContact CD1-CB 4.01Å; G337-A341 WeakPolarHBondContact O-CB 3.3Å; G337-A341 PolarHBondContact O-N 3.2Å; T338-A341 WeakPolarHBondContact O-CB 3.32Å; T338-A341 PolarHBondContact O-N 3.39Å; E339-A341 VanDerWaalsContact C-N 3.34Å; E339-A341 PolarHBondContact O-N 3.41Å; A341-A345 WeakPolarHBondContact O-CB 3.39Å; A341-A345 PolarHBondContact O-N 3.04Å; A341-H357 HydrophobicContact CB-CB 4.16Å
342	C	92.3	Very high	90.4	Very high	40 Å²	40	32 Å²	32	27%	0.27	22%	0.222	S	C	.	.	H	α-helix	trans	-61.6	-48.2	175.8	-67.9	0	0	0	0	111.9	T338 E339 A345 N346	T338-C342 PolarHBondContact O-N 3.31Å; T338-C342 PolarHBondContact O-SG 2.75Å; T338-C342 VanDerWaalsContact O-SG 3.38Å; E339-C342 PolarHBondContact O-N 3.16Å; C342-A345 PolarHBondContact O-N 3.13Å; C342-N346 WeakPolarHBondContact O-CB 3.24Å; C342-N346 PolarHBondContact O-N 3.47Å
343	A	93.8	Very high	90.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-49.7	179.3	0	0	0	0	0	112.8	W205 F206 E339 N346 R347	W205-A343 HydrophobicContact CB-CB 3.49Å; W205-A343 VanDerWaalsContact CB-CB 3.49Å; W205-A343 HydrophobicContact CD2-CB 4.05Å; W205-A343 HydrophobicContact CG-CB 3.51Å; F206-A343 HydrophobicContact CE2-CB 4.44Å; E339-A343 VanDerWaalsContact O-CB 3.27Å; E339-A343 WeakPolarHBondContact O-CB 3.37Å; E339-A343 PolarHBondContact O-N 2.82Å; A343-N346 WeakPolarHBondContact O-CB 3.18Å; A343-N346 PolarHBondContact O-N 3.39Å; A343-R347 PolarHBondContact O-N 3.21Å; A343-R347 VanDerWaalsContact O-N 3.16Å
344	L	94	Very high	90.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-70.5	-36.2	-179.7	-72.2	168.5	0	0	0	112.1	W205 L318 V328 I330 L340 N346 R347 G348 L353 V355 I410	W205-L344 HydrophobicContact CE3-CD2 4.09Å; W205-L344 HydrophobicContact CH2-CD2 3.8Å; W205-L344 HydrophobicContact CZ3-CD2 3.44Å; W205-L344 VanDerWaalsContact CZ3-CD2 3.44Å; W205-L344 HydrophobicContact CZ3-CG 4.4Å; L318-L344 HydrophobicContact CD2-CD1 4.42Å; V328-L344 HydrophobicContact CG1-CD1 4.02Å; I330-L344 HydrophobicContact CD1-CD1 4.18Å; I330-L344 HydrophobicContact CG1-CD1 4.42Å; L340-L344 VanDerWaalsContact O-CB 3.31Å; L340-L344 WeakPolarHBondContact O-CB 3.38Å; L340-L344 VanDerWaalsContact O-CG 3.31Å; L340-L344 WeakPolarHBondContact O-CG 3.46Å; L340-L344 PolarHBondContact O-N 2.79Å; L344-N346 VanDerWaalsContact C-N 3.32Å; L344-R347 PolarHBondContact O-N 2.83Å; L344-G348 PolarHBondContact O-N 2.71Å; L344-L353 HydrophobicContact CD2-CD2 4.37Å; L344-V355 HydrophobicContact CB-CG1 4.22Å; L344-V355 HydrophobicContact CB-CG2 3.79Å; L344-I410 HydrophobicContact CD1-CD1 3.41Å; L344-I410 VanDerWaalsContact CD1-CD1 3.41Å
345	A	90.3	Very high	90.4	Very high	18 Å²	18	36.7 Å²	36.7	15%	0.149	23%	0.234	C	C	.	.	H	α-helix	trans	-68.7	-34.8	177.8	0	0	0	0	0	111.7	F9 A341 C342 G348 Q349 V355	F9-A345 HydrophobicContact CE1-CB 3.37Å; F9-A345 HydrophobicContact CZ-CB 3.5Å; F9-A345 VanDerWaalsContact CZ-CB 3.5Å; A341-A345 WeakPolarHBondContact O-CB 3.39Å; A341-A345 PolarHBondContact O-N 3.04Å; C342-A345 PolarHBondContact O-N 3.13Å; A345-G348 PolarHBondContact O-N 2.83Å; A345-Q349 PolarHBondContact O-N 3.09Å; A345-V355 HydrophobicContact CB-CB 4.43Å; A345-V355 HydrophobicContact CB-CG2 4.4Å
346	N	86.8	Confident	90.3	Very high	53 Å²	53	36 Å²	36	28%	0.283	23%	0.232	S	C	.	.	H	α-helix	trans	-59.2	-47.5	169.7	-175.7	65.1	0	0	0	111.4	F206 C342 A343 L344 G348 Q349	F206-N346 WeakPolarHBondContact CD1-ND2 3.36Å; F206-N346 HydrophobicContact CE1-CB 3.97Å; F206-N346 HydrophobicContact CZ-CB 4.29Å; C342-N346 WeakPolarHBondContact O-CB 3.24Å; C342-N346 PolarHBondContact O-N 3.47Å; A343-N346 WeakPolarHBondContact O-CB 3.18Å; A343-N346 PolarHBondContact O-N 3.39Å; L344-N346 VanDerWaalsContact C-N 3.32Å; N346-G348 VanDerWaalsContact C-N 3.27Å; N346-G348 PolarHBondContact O-N 3.06Å; N346-Q349 PolarHBondContact O-N 3.1Å
347	R	83.6	Confident	90	Very high	49 Å²	49	34.4 Å²	34.4	19%	0.185	22%	0.223	C	C	.	.	H	α-helix	trans	-60.9	-36.2	173.3	-68.8	-67.8	-169.2	-171.2	-2.9	112.5	L204 W205 T207 A343 L344 Q349 G350 S351	L204-R347 PolarHBondContact O-NH2 3.3Å; L204-R347 VanDerWaalsContact O-NH2 3.14Å; W205-R347 HydrophobicContact CE3-CG 4Å; W205-R347 PolarHBondContact O-NE 3.46Å; W205-R347 PolarHBondContact O-NH2 3.4Å; T207-R347 PolarHBondContact O-NH1 2.96Å; T207-R347 PolarHBondContact O-NH2 3.16Å; A343-R347 PolarHBondContact O-N 3.21Å; A343-R347 VanDerWaalsContact O-N 3.16Å; L344-R347 PolarHBondContact O-N 2.83Å; R347-Q349 VanDerWaalsContact C-N 3.28Å; R347-Q349 PolarHBondContact O-N 3.27Å; R347-G350 PolarHBondContact O-N 2.87Å; R347-S351 PolarHBondContact O-OG 3.07Å
348	G	82.5	Confident	89.7	Confident	10 Å²	10	34.4 Å²	34.4	10%	0.103	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-24.5	-178.8	0	0	0	0	0	114.8	L344 A345 N346 G350 S351 G352	L344-G348 PolarHBondContact O-N 2.71Å; A345-G348 PolarHBondContact O-N 2.83Å; N346-G348 VanDerWaalsContact C-N 3.27Å; N346-G348 PolarHBondContact O-N 3.06Å; G348-G350 PolarHBondContact O-N 3.13Å; G348-G350 VanDerWaalsContact O-N 3.14Å; G348-S351 PolarHBondContact O-N 2.64Å; G348-G352 PolarHBondContact O-N 2.61Å
349	Q	81	Confident	89.5	Confident	120 Å²	120	34.5 Å²	34.5	56%	0.561	22%	0.222	S	C	*	.	H	α-helix	trans	-56.5	-32.2	179.1	-66.8	-173.1	-4.8	0	0	112.9	A345 N346 R347	A345-Q349 PolarHBondContact O-N 3.09Å; N346-Q349 PolarHBondContact O-N 3.1Å; R347-Q349 VanDerWaalsContact C-N 3.28Å; R347-Q349 PolarHBondContact O-N 3.27Å
350	G	76.9	Confident	88.9	Confident	79 Å²	79	37.7 Å²	37.7	81%	0.814	24%	0.244	S	C	*	.	H	α-helix	trans	-98.4	-20.6	178.2	0	0	0	0	0	115.4	R347 G348	R347-G350 PolarHBondContact O-N 2.87Å; G348-G350 PolarHBondContact O-N 3.13Å; G348-G350 VanDerWaalsContact O-N 3.14Å
351	S	84	Confident	88.4	Confident	73 Å²	73	39.7 Å²	39.7	51%	0.51	25%	0.253	S	S	.	.	H	α-helix	trans	-107.5	-14.2	-171.5	66	0	0	0	0	114.7	R347 G348 L353	R347-S351 PolarHBondContact O-OG 3.07Å; G348-S351 PolarHBondContact O-N 2.64Å; S351-L353 VanDerWaalsContact C-N 3.25Å; S351-L353 WeakPolarHBondContact OG-CB 3.49Å; S351-L353 PolarHBondContact OG-N 2.74Å
352	G	86.3	Confident	87.7	Confident	65 Å²	65	41.6 Å²	41.6	67%	0.67	27%	0.274	S	S	*	.			trans	73.3	16.4	-172.4	0	0	0	0	0	113.8	G348 E354	G348-G352 PolarHBondContact O-N 2.61Å; G352-E354 PolarHBondContact O-N 2.73Å
353	L	92.9	Very high	87.3	Confident	13 Å²	13	39.8 Å²	39.8	7%	0.068	26%	0.262	C	S	.	.			trans	-62.6	120.3	172.1	175.6	68.2	0	0	0	110	S325 V328 L344 S351 V355	S325-L353 WeakPolarHBondContact O-CD1 3.15Å; V328-L353 HydrophobicContact CB-CD1 4.48Å; V328-L353 HydrophobicContact CG2-CD1 3.92Å; L344-L353 HydrophobicContact CD2-CD2 4.37Å; S351-L353 VanDerWaalsContact C-N 3.25Å; S351-L353 WeakPolarHBondContact OG-CB 3.49Å; S351-L353 PolarHBondContact OG-N 2.74Å; L353-V355 HydrophobicContact CD2-CG2 4.03Å; L353-V355 HydrophobicContact CG-CG2 4.05Å
354	E	93.6	Very high	86.8	Confident	94 Å²	94	40 Å²	40	44%	0.439	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121.8	170.3	-179.2	-175.6	-148.9	0	0	109.7	K326 S327 V328 G352 I356	K326-E354 PolarHBondContact O-N 2.95Å; S327-E354 CarbonylContact C-O 3.5Å; S327-E354 WeakPolarHBondContact CA-O 3.02Å; S327-E354 WeakPolarHBondContact CB-OE2 3.47Å; V328-E354 PolarHBondContact N-O 2.82Å; G352-E354 PolarHBondContact O-N 2.73Å; E354-I356 HydrophobicContact CG-CD1 4.31Å; E354-I356 HydrophobicContact CG-CG1 4.04Å
355	V	92.7	Very high	86.7	Confident	39 Å²	39	40.2 Å²	40.2	24%	0.236	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.7	178.6	-177.9	0	0	0	0	108.8	I330 L344 A345 L353	I330-V355 HydrophobicContact CD1-CG1 3.36Å; L344-V355 HydrophobicContact CB-CG1 4.22Å; L344-V355 HydrophobicContact CB-CG2 3.79Å; A345-V355 HydrophobicContact CB-CB 4.43Å; A345-V355 HydrophobicContact CB-CG2 4.4Å; L353-V355 HydrophobicContact CD2-CG2 4.03Å; L353-V355 HydrophobicContact CG-CG2 4.05Å
356	I	91.7	Very high	86.7	Confident	13 Å²	13	40.2 Å²	40.2	7%	0.067	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.4	-177	-54	163.2	0	0	0	107.7	V328 T329 I330 E354 L381 L404	V328-I356 PolarHBondContact O-N 3.18Å; T329-I356 CarbonylContact C-O 3.55Å; T329-I356 VanDerWaalsContact CA-O 3.24Å; T329-I356 WeakPolarHBondContact CA-O 3.49Å; T329-I356 HydrophobicContact CG2-CB 4.23Å; T329-I356 HydrophobicContact CG2-CG2 4.25Å; I330-I356 PolarHBondContact N-O 2.93Å; E354-I356 HydrophobicContact CG-CD1 4.31Å; E354-I356 HydrophobicContact CG-CG1 4.04Å; I356-L381 HydrophobicContact CG2-CD1 3.25Å; I356-L404 HydrophobicContact CB-CD2 4.29Å; I356-L404 HydrophobicContact CD1-CD1 4.04Å; I356-L404 HydrophobicContact CD1-CD2 3.86Å; I356-L404 HydrophobicContact CD1-CG 4.08Å; I356-L404 HydrophobicContact CG2-CD1 4.11Å; I356-L404 HydrophobicContact CG2-CD2 3.7Å
357	H	90.7	Very high	86.9	Confident	29 Å²	29	44.3 Å²	44.3	13%	0.134	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120	179.6	-170.4	-165.5	0	0	0	109.2	G332 A341 F359	G332-H357 PolarHBondContact O-NE2 3.39Å; A341-H357 HydrophobicContact CB-CB 4.16Å; H357-F359 AromaticContact CD2-CD1 3.73Å; H357-F359 AromaticContact CD2-CE1 3.93Å; H357-F359 AromaticContact CE1-CD1 3.9Å; H357-F359 AromaticContact CE1-CE1 3.6Å; H357-F359 AromaticContact CG-CE1 3.87Å; H357-F359 AromaticContact ND1-CE1 3.67Å; H357-F359 AromaticContact NE2-CD1 3.57Å; H357-F359 AromaticContact NE2-CE1 3.76Å
358	T	89.8	Confident	87.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.2	-177	-178.9	0	0	0	0	112.2	T329 I330 I331 G332 L381 K382 M398	T329-T358 HydrophobicContact CG2-CG2 3.81Å; I330-T358 PolarHBondContact O-N 2.95Å; I331-T358 WeakPolarHBondContact CA-O 3.26Å; I331-T358 HydrophobicContact CB-CG2 4.42Å; I331-T358 HydrophobicContact CG1-CG2 3.8Å; G332-T358 PolarHBondContact N-O 3.28Å; T358-L381 PolarHBondContact OG1-O 2.56Å; T358-K382 PolarHBondContact OG1-O 2.85Å; T358-M398 HydrophobicContact CG2-CE 4.11Å; T358-M398 WeakPolarHBondContact OG1-CE 3.5Å
359	F	89.3	Confident	87.7	Confident	9 Å²	9	42.9 Å²	42.9	4%	0.039	28%	0.276	C	S	.	.			trans	-165.9	156.5	-179.3	45.1	-101.1	0	0	0	110.9	G333 H357 E361 G363 C364 T378	G333-F359 VanDerWaalsContact CA-CD1 3.48Å; G333-F359 VanDerWaalsContact N-CB 3.3Å; H357-F359 AromaticContact CD2-CD1 3.73Å; H357-F359 AromaticContact CD2-CE1 3.93Å; H357-F359 AromaticContact CE1-CD1 3.9Å; H357-F359 AromaticContact CE1-CE1 3.6Å; H357-F359 AromaticContact CG-CE1 3.87Å; H357-F359 AromaticContact ND1-CE1 3.67Å; H357-F359 AromaticContact NE2-CD1 3.57Å; H357-F359 AromaticContact NE2-CE1 3.76Å; F359-E361 VanDerWaalsContact C-N 3.35Å; F359-E361 WeakPolarHBondContact CB-OE2 3.4Å; F359-E361 HydrophobicContact CD2-CB 4.18Å; F359-G363 WeakPolarHBondContact CE2-O 3.32Å; F359-C364 HydrophobicContact CE1-CB 4.09Å; F359-C364 HydrophobicContact CZ-CB 3.88Å; F359-C364 VanDerWaalsContact CZ-N 3.31Å; F359-T378 HydrophobicContact CE1-CG2 4.36Å; F359-T378 HydrophobicContact CZ-CG2 3.94Å
360	P	85.3	Confident	87.9	Confident	76 Å²	76	37.5 Å²	37.5	49%	0.494	25%	0.252	S	S	.	.	S	Bend	trans	-73.7	-22.2	-178.6	26.9	-33.9	0	0	0	114.1	E383	P360-E383 HydrophobicContact CB-CB 4.04Å; P360-E383 HydrophobicContact CB-CG 4.36Å
361	E	85.4	Confident	88.2	Confident	41 Å²	41	42.4 Å²	42.4	19%	0.192	25%	0.246	C	C	.	.	S	Bend	trans	-67.5	161.7	-176	-64.7	80.1	-173.9	0	0	113.4	F359 G363 K367	F359-E361 VanDerWaalsContact C-N 3.35Å; F359-E361 WeakPolarHBondContact CB-OE2 3.4Å; F359-E361 HydrophobicContact CD2-CB 4.18Å; E361-G363 PolarHBondContact O-N 3.1Å; E361-K367 HydrophobicContact CG-CG 4.08Å; E361-K367 WeakPolarHBondContact OE1-CD 3.49Å; E361-K367 WeakPolarHBondContact OE1-CE 3.24Å; E361-K367 IonicContact OE1-NZ 3.98Å; E361-K367 PolarHBondContact OE1-NZ 3.16Å
362	G	78.4	Confident	87.9	Confident	52 Å²	52	44 Å²	44	54%	0.536	24%	0.241	S	C	.	.	S	Bend	trans	-66.5	-14.4	-179.2	0	0	0	0	0	115.5
363	G	83.8	Confident	87.4	Confident	3 Å²	3	41.4 Å²	41.4	3%	0.031	21%	0.212	C	C	.	.	S	Bend	trans	-173.2	170.5	178.3	0	0	0	0	0	109.3	F359 E361 G366 S374	F359-G363 WeakPolarHBondContact CE2-O 3.32Å; E361-G363 PolarHBondContact O-N 3.1Å; G363-G366 PolarHBondContact O-N 2.86Å; G363-S374 VanDerWaalsContact CA-OG 3.22Å; G363-S374 WeakPolarHBondContact CA-OG 3.42Å; G363-S374 PolarHBondContact O-OG 3.06Å; G363-S374 VanDerWaalsContact O-OG 3.14Å
364	C	84.5	Confident	86.6	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.02	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	151.6	178.2	75.7	0	0	0	0	110.3	T338 F359 G366 S374 A377 T378	T338-C364 HydrophobicContact CG2-CB 4.39Å; F359-C364 HydrophobicContact CE1-CB 4.09Å; F359-C364 HydrophobicContact CZ-CB 3.88Å; F359-C364 VanDerWaalsContact CZ-N 3.31Å; C364-G366 PolarHBondContact O-N 3.25Å; C364-S374 WeakPolarHBondContact O-CB 3.39Å; C364-S374 PolarHBondContact O-OG 2.78Å; C364-A377 WeakPolarHBondContact SG-CB 3.49Å; C364-T378 VanDerWaalsContact CB-OG1 3.25Å; C364-T378 WeakPolarHBondContact CB-OG1 3.4Å; C364-T378 PolarHBondContact N-OG1 3.03Å; C364-T378 PolarHBondContact SG-OG1 3.28Å; C364-T378 VanDerWaalsContact SG-OG1 3.39Å
365	L	91	Very high	85.6	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.026	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	20.3	-175.1	-50.4	175.6	0	0	0	113.7	G333 G334 F335 K367 V368 L369 F507	G333-L365 VanDerWaalsContact O-CA 3.3Å; G333-L365 WeakPolarHBondContact O-CA 2.9Å; G333-L365 PolarHBondContact O-N 3.22Å; G334-L365 VanDerWaalsContact C-CD2 3.44Å; F335-L365 HydrophobicContact CB-CD2 4.27Å; F335-L365 HydrophobicContact CD1-CD1 3.91Å; F335-L365 HydrophobicContact CD1-CD2 3.51Å; F335-L365 HydrophobicContact CD1-CG 4.37Å; F335-L365 HydrophobicContact CD2-CD2 4.14Å; F335-L365 HydrophobicContact CE1-CD1 3.59Å; F335-L365 HydrophobicContact CE1-CD2 3.83Å; F335-L365 HydrophobicContact CE1-CG 4.32Å; F335-L365 HydrophobicContact CE2-CD2 4.41Å; F335-L365 HydrophobicContact CG-CD2 3.7Å; F335-L365 HydrophobicContact CZ-CD1 4.3Å; F335-L365 HydrophobicContact CZ-CD2 4.26Å; F335-L365 VanDerWaalsContact N-CD2 3.34Å; L365-K367 PolarHBondContact O-N 3.06Å; L365-V368 CarbonylContact O-C 3.51Å; L365-V368 WeakPolarHBondContact O-CA 3.25Å; L365-V368 PolarHBondContact O-N 3.28Å; L365-L369 HydrophobicContact CB-CB 4.37Å; L365-L369 HydrophobicContact CB-CD1 3.81Å; L365-L369 HydrophobicContact CB-CG 3.79Å; L365-L369 HydrophobicContact CD1-CD1 3.7Å; L365-L369 HydrophobicContact CD1-CG 4.27Å; L365-L369 HydrophobicContact CG-CD1 4.36Å; L365-L369 PolarHBondContact O-N 2.88Å; L365-F507 HydrophobicContact CD1-CE2 4.32Å
366	G	90.1	Very high	83.9	Confident	18 Å²	18	44.1 Å²	44.1	19%	0.186	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-12	-170.1	0	0	0	0	0	116.2	G363 C364 S374 S515	G363-G366 PolarHBondContact O-N 2.86Å; C364-G366 PolarHBondContact O-N 3.25Å; G366-S374 WeakPolarHBondContact CA-OG 3.44Å; G366-S515 WeakPolarHBondContact O-CB 3.46Å; G366-S515 PolarHBondContact O-OG 2.81Å
367	K	91.2	Very high	82.2	Confident	140 Å²	140	44.9 Å²	44.9	61%	0.609	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-17.3	170.1	-75.3	174.6	171.6	141.7	0	113.6	E361 L365 S515	E361-K367 HydrophobicContact CG-CG 4.08Å; E361-K367 WeakPolarHBondContact OE1-CD 3.49Å; E361-K367 WeakPolarHBondContact OE1-CE 3.24Å; E361-K367 IonicContact OE1-NZ 3.98Å; E361-K367 PolarHBondContact OE1-NZ 3.16Å; L365-K367 PolarHBondContact O-N 3.06Å; K367-S515 WeakPolarHBondContact CA-OG 3.4Å; K367-S515 PolarHBondContact O-N 3.01Å; K367-S515 PolarHBondContact O-OG 3.23Å
368	V	92.3	Very high	80.7	Confident	26 Å²	26	45.1 Å²	45.1	16%	0.158	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-60.9	179.6	179.1	0	0	0	0	108.6	F335 L365 V513 Y581 V591	F335-V368 HydrophobicContact CE2-CB 4.43Å; F335-V368 HydrophobicContact CE2-CG1 4.22Å; F335-V368 HydrophobicContact CE2-CG2 4.04Å; F335-V368 HydrophobicContact CZ-CG1 4.17Å; L365-V368 CarbonylContact O-C 3.51Å; L365-V368 WeakPolarHBondContact O-CA 3.25Å; L365-V368 PolarHBondContact O-N 3.28Å; V368-V513 HydrophobicContact CG1-CB 4.12Å; V368-V513 HydrophobicContact CG1-CG2 4.07Å; V368-Y581 WeakPolarHBondContact O-CE1 3.43Å; V368-Y581 PolarHBondContact O-OH 3.39Å; V368-V591 HydrophobicContact CG1-CG2 4.1Å
369	L	90.4	Very high	78.8	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	26%	0.257	C	S	.	.	S	Bend	trans	-75.7	141.3	-174.7	-61.3	-175.4	0	0	0	112	L365 L373 F507 S515 I579 V591	L365-L369 HydrophobicContact CB-CB 4.37Å; L365-L369 HydrophobicContact CB-CD1 3.81Å; L365-L369 HydrophobicContact CB-CG 3.79Å; L365-L369 HydrophobicContact CD1-CD1 3.7Å; L365-L369 HydrophobicContact CD1-CG 4.27Å; L365-L369 HydrophobicContact CG-CD1 4.36Å; L365-L369 PolarHBondContact O-N 2.88Å; L369-L373 HydrophobicContact CB-CB 4.24Å; L369-L373 HydrophobicContact CD1-CB 4.23Å; L369-F507 HydrophobicContact CD1-CE1 4.12Å; L369-F507 HydrophobicContact CD1-CZ 4.32Å; L369-F507 HydrophobicContact CD2-CE1 4.42Å; L369-S515 WeakPolarHBondContact O-CB 3.41Å; L369-I579 HydrophobicContact CD2-CD1 3.98Å; L369-V591 HydrophobicContact CD2-CG1 4.01Å
370	P	86.2	Confident	77.1	Confident	7 Å²	7	59.6 Å²	59.6	5%	0.045	29%	0.29	C	S	.	.			trans	-63.2	154.2	169.4	28	-33.3	0	0	0	110.6	Y372 L373 S374 I579	P370-Y372 HydrophobicContact CB-CD1 4Å; P370-Y372 HydrophobicContact CB-CE1 3.48Å; P370-Y372 VanDerWaalsContact CB-CE1 3.48Å; P370-Y372 HydrophobicContact CG-CD1 4.22Å; P370-Y372 HydrophobicContact CG-CE1 3.46Å; P370-Y372 VanDerWaalsContact CG-CE1 3.46Å; P370-Y372 HydrophobicContact CG-CE2 3.89Å; P370-Y372 WeakPolarHBondContact CG-OH 3.48Å; P370-Y372 PolarHBondContact O-N 2.98Å; P370-L373 HydrophobicContact CG-CD1 4.3Å; P370-L373 PolarHBondContact O-N 3.5Å; P370-S374 PolarHBondContact O-N 3.11Å; P370-I579 HydrophobicContact CG-CD1 4.14Å; P370-I579 HydrophobicContact CG-CG2 4.14Å
371	R	83.1	Confident	75.6	Confident	182 Å²	182	58.6 Å²	58.6	69%	0.687	28%	0.28	S	S	*	.	H	α-helix	trans	-54	-34.1	-168	-168.4	176.2	-175.7	-176.3	1.2	114.5	N375	R371-N375 VanDerWaalsContact O-CB 3.28Å; R371-N375 WeakPolarHBondContact O-CB 3.26Å; R371-N375 PolarHBondContact O-N 3Å; R371-N375 PolarHBondContact O-ND2 3.34Å
372	Y	77.5	Confident	74.5	Confident	106 Å²	106	62 Å²	62	42%	0.416	29%	0.294	S	S	.	.	H	α-helix	trans	-67	-36.2	-178.8	58.2	-99.3	0	0	0	112.7	P370 W376 G521 F523	P370-Y372 HydrophobicContact CB-CD1 4Å; P370-Y372 HydrophobicContact CB-CE1 3.48Å; P370-Y372 VanDerWaalsContact CB-CE1 3.48Å; P370-Y372 HydrophobicContact CG-CD1 4.22Å; P370-Y372 HydrophobicContact CG-CE1 3.46Å; P370-Y372 VanDerWaalsContact CG-CE1 3.46Å; P370-Y372 HydrophobicContact CG-CE2 3.89Å; P370-Y372 WeakPolarHBondContact CG-OH 3.48Å; P370-Y372 PolarHBondContact O-N 2.98Å; Y372-W376 PolarHBondContact O-N 2.75Å; Y372-G521 WeakPolarHBondContact OH-CA 3.33Å; Y372-F523 HydrophobicContact CD2-CE2 4.26Å; Y372-F523 HydrophobicContact CD2-CZ 4.46Å; Y372-F523 HydrophobicContact CE2-CD2 4.39Å; Y372-F523 HydrophobicContact CE2-CE1 4.34Å; Y372-F523 AromaticContact CE2-CE2 3.3Å; Y372-F523 HydrophobicContact CE2-CE2 3.3Å; Y372-F523 AromaticContact CE2-CZ 3.3Å; Y372-F523 HydrophobicContact CE2-CZ 3.3Å; Y372-F523 AromaticContact CZ-CE2 3.67Å; Y372-F523 AromaticContact CZ-CZ 3.71Å; Y372-F523 WeakPolarHBondContact OH-CE2 3.48Å; Y372-F523 VanDerWaalsContact OH-CZ 3.29Å; Y372-F523 WeakPolarHBondContact OH-CZ 3.31Å
373	L	74.8	Confident	74	Confident	10 Å²	10	63.5 Å²	63.5	5%	0.052	29%	0.287	C	S	.	.	H	α-helix	trans	-81.1	-38.6	174.4	-86.1	161.6	0	0	0	111.9	L369 P370 N375 W376 A377 F523 I579 W593	L369-L373 HydrophobicContact CB-CB 4.24Å; L369-L373 HydrophobicContact CD1-CB 4.23Å; P370-L373 HydrophobicContact CG-CD1 4.3Å; P370-L373 PolarHBondContact O-N 3.5Å; L373-N375 VanDerWaalsContact C-N 3.32Å; L373-N375 PolarHBondContact O-N 2.9Å; L373-W376 WeakPolarHBondContact O-CB 3.08Å; L373-W376 PolarHBondContact O-N 2.86Å; L373-A377 PolarHBondContact O-N 2.62Å; L373-F523 HydrophobicContact CD1-CE1 3.72Å; L373-F523 HydrophobicContact CD1-CZ 3.74Å; L373-F523 HydrophobicContact CG-CE1 4.43Å; L373-F523 HydrophobicContact CG-CZ 4.45Å; L373-I579 HydrophobicContact CD1-CD1 3.25Å; L373-I579 HydrophobicContact CD1-CG1 4.06Å; L373-W593 HydrophobicContact CD2-CD2 4.25Å; L373-W593 HydrophobicContact CD2-CE3 3.67Å; L373-W593 HydrophobicContact CD2-CH2 4.22Å; L373-W593 HydrophobicContact CD2-CZ3 3.66Å
374	S	77.2	Confident	72.7	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-39.5	177.7	-176.4	0	0	0	0	111.9	G363 C364 G366 P370 A377	G363-S374 VanDerWaalsContact CA-OG 3.22Å; G363-S374 WeakPolarHBondContact CA-OG 3.42Å; G363-S374 PolarHBondContact O-OG 3.06Å; G363-S374 VanDerWaalsContact O-OG 3.14Å; C364-S374 WeakPolarHBondContact O-CB 3.39Å; C364-S374 PolarHBondContact O-OG 2.78Å; G366-S374 WeakPolarHBondContact CA-OG 3.44Å; P370-S374 PolarHBondContact O-N 3.11Å; S374-A377 PolarHBondContact O-N 3.15Å
375	N	71.3	Confident	72.5	Confident	71 Å²	71	69.6 Å²	69.6	38%	0.38	31%	0.314	S	S	.	.	H	α-helix	trans	-68.3	-34.7	174.5	-73.6	-13.2	0	0	0	112.8	R371 L373 A377	R371-N375 VanDerWaalsContact O-CB 3.28Å; R371-N375 WeakPolarHBondContact O-CB 3.26Å; R371-N375 PolarHBondContact O-N 3Å; R371-N375 PolarHBondContact O-ND2 3.34Å; L373-N375 VanDerWaalsContact C-N 3.32Å; L373-N375 PolarHBondContact O-N 2.9Å; N375-A377 PolarHBondContact O-N 3.2Å; N375-A377 VanDerWaalsContact O-N 3.17Å
376	W	58.6	Low	72	Confident	130 Å²	130	75.1 Å²	75.1	49%	0.492	34%	0.338	S	S	.	.	H	α-helix	trans	-59.2	-25.5	177	-179	86	0	0	0	111.4	L10 Y372 L373 W593	L10-W376 WeakPolarHBondContact CD1-O 3.47Å; Y372-W376 PolarHBondContact O-N 2.75Å; L373-W376 WeakPolarHBondContact O-CB 3.08Å; L373-W376 PolarHBondContact O-N 2.86Å; W376-W593 AromaticContact CH2-CZ2 3.96Å; W376-W593 HydrophobicContact CH2-CZ2 3.96Å; W376-W593 HydrophobicContact CZ2-CZ2 4.36Å; W376-W593 HydrophobicContact CZ3-CZ2 4.09Å
377	A	55	Low	71.7	Confident	28 Å²	28	74.5 Å²	74.5	23%	0.231	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	1.7	-170.1	0	0	0	0	0	116	L10 C364 L373 S374 N375	L10-A377 VanDerWaalsContact CD1-C 3.43Å; C364-A377 WeakPolarHBondContact SG-CB 3.49Å; L373-A377 PolarHBondContact O-N 2.62Å; S374-A377 PolarHBondContact O-N 3.15Å; N375-A377 PolarHBondContact O-N 3.2Å; N375-A377 VanDerWaalsContact O-N 3.17Å
378	T	59.4	Low	71.5	Confident	34 Å²	34	69 Å²	69	21%	0.209	31%	0.309	C	S	.	.			trans	-160.9	144.4	175.7	-16.6	0	0	0	0	118	F359 C364	F359-T378 HydrophobicContact CE1-CG2 4.36Å; F359-T378 HydrophobicContact CZ-CG2 3.94Å; C364-T378 VanDerWaalsContact CB-OG1 3.25Å; C364-T378 WeakPolarHBondContact CB-OG1 3.4Å; C364-T378 PolarHBondContact N-OG1 3.03Å; C364-T378 PolarHBondContact SG-OG1 3.28Å; C364-T378 VanDerWaalsContact SG-OG1 3.39Å
379	E	50.2	Low	71.3	Confident	119 Å²	119	70 Å²	70	56%	0.556	31%	0.314	S	S	*	.			trans	-82.8	159	154.4	-91.7	-174	155.8	0	0	111.4
380	R	53.6	Low	71.4	Confident	195 Å²	195	73.9 Å²	73.9	74%	0.736	33%	0.331	S	S	*	.			trans	-96.7	134.3	-156	-68.6	175.9	162.7	141	2.4	115.6
381	L	54.2	Low	71.3	Confident	54 Å²	54	85.5 Å²	85.5	28%	0.283	37%	0.374	S	S	.	.			trans	-137.5	136	155.3	-75.8	166.2	0	0	0	109.9	I356 T358	I356-L381 HydrophobicContact CG2-CD1 3.25Å; T358-L381 PolarHBondContact OG1-O 2.56Å
382	K	61.5	Low	71.5	Confident	113 Å²	113	82.5 Å²	82.5	49%	0.491	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-82.3	166.4	-175.8	-55	-162	-167.9	175.7	0	113	T358 M398 S399 D400	T358-K382 PolarHBondContact OG1-O 2.85Å; K382-M398 WeakPolarHBondContact O-CE 3.18Å; K382-S399 WeakPolarHBondContact CB-OG 3.2Å; K382-D400 HydrophobicContact CD-CB 3.72Å; K382-D400 HydrophobicContact CG-CB 4.48Å
383	E	69.2	Low	72.3	Confident	83 Å²	83	80.6 Å²	80.6	39%	0.388	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-50.8	140.5	177.1	-173.1	178.9	-160.7	0	0	114.8	P360 M398 S399	P360-E383 HydrophobicContact CB-CB 4.04Å; P360-E383 HydrophobicContact CB-CG 4.36Å; E383-M398 CarbonylContact O-C 3.51Å; E383-M398 WeakPolarHBondContact O-CA 3.5Å; E383-S399 WeakPolarHBondContact O-CB 3.5Å; E383-S399 PolarHBondContact O-N 2.92Å; E383-S399 PolarHBondContact O-OG 3.16Å
384	X	56.3	Low	73.3	Confident	7 Å²	7	80.1 Å²	80.1	6%	0.058	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	124.2	170.6	0	0	0	0	0	111	I331 L396 M398	I331-A384 HydrophobicContact CD1-CB 4.49Å; A384-L396 HydrophobicContact CB-CB 4.24Å; A384-M398 HydrophobicContact CB-SD 3.91Å
385	K	78.6	Confident	74.2	Confident	127 Å²	127	80.1 Å²	80.1	55%	0.552	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	-17.4	-179.9	-73.7	-170.9	172.9	155.6	0	114.6	E294 H397 S399	E294-K385 WeakPolarHBondContact CG-O 3.34Å; K385-H397 PolarHBondContact N-O 2.82Å; K385-S399 VanDerWaalsContact CE-CA 3.49Å; K385-S399 PolarHBondContact NZ-O 3.45Å; K385-S399 VanDerWaalsContact NZ-O 3.12Å
386	K	80.7	Confident	75.2	Confident	121 Å²	121	76.7 Å²	76.7	53%	0.526	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	143.7	179.7	-176.1	179.6	-179.4	-178.4	0	109.9	T388 L396 H397	K386-T388 HydrophobicContact CD-CG2 4.33Å; K386-T388 HydrophobicContact CG-CG2 4.32Å; K386-L396 CarbonylContact O-C 3.46Å; K386-L396 WeakPolarHBondContact O-CA 3.03Å; K386-H397 HydrophobicContact CB-CB 4.1Å; K386-H397 PolarHBondContact N-O 2.94Å; K386-H397 PolarHBondContact O-N 2.89Å
387	A	83.5	Confident	76.8	Confident	5 Å²	5	73.5 Å²	73.5	4%	0.041	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.6	170.9	0	0	0	0	0	111.1	I295 S298 L300 V395 L396	I295-A387 HydrophobicContact CG1-CB 4.34Å; S298-A387 WeakPolarHBondContact CB-O 3.14Å; L300-A387 HydrophobicContact CD1-CB 3.71Å; A387-V395 WeakPolarHBondContact CA-O 3.36Å; A387-L396 HydrophobicContact CB-CD2 3.74Å
388	T	87.3	Confident	78.3	Confident	26 Å²	26	72.5 Å²	72.5	16%	0.16	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	160.8	176.9	53.8	0	0	0	0	111.2	K386 V395 H397	K386-T388 HydrophobicContact CD-CG2 4.33Å; K386-T388 HydrophobicContact CG-CG2 4.32Å; T388-V395 PolarHBondContact N-O 2.9Å; T388-V395 PolarHBondContact O-N 3.06Å; T388-H397 PolarHBondContact OG1-NE2 2.96Å; T388-H397 VanDerWaalsContact OG1-NE2 3.12Å
389	L	88.8	Confident	79.5	Confident	47 Å²	47	72.6 Å²	72.6	25%	0.246	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.3	175	-170.7	69.2	0	0	0	110.8	E299 L300 I394	E299-L389 HydrophobicContact CG-CB 3.94Å; E299-L389 WeakPolarHBondContact OE1-CB 3.47Å; E299-L389 PolarHBondContact OE1-N 3Å; L300-L389 HydrophobicContact CD2-CB 4.11Å; L300-L389 HydrophobicContact CD2-CD1 4.25Å; L389-I394 HydrophobicContact CD1-CG1 4.4Å
390	E	91.4	Very high	81.1	Confident	83 Å²	83	69.7 Å²	69.7	39%	0.388	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.3	176.3	-68.1	-178.7	-168.8	0	0	110.4	N392 K393 V395 K405	E390-N392 VanDerWaalsContact C-N 3.26Å; E390-N392 PolarHBondContact O-N 3.35Å; E390-K393 PolarHBondContact N-O 2.86Å; E390-K393 WeakPolarHBondContact O-CB 3.18Å; E390-K393 PolarHBondContact O-N 2.99Å; E390-V395 HydrophobicContact CB-CG2 3.86Å; E390-V395 HydrophobicContact CG-CG2 3.79Å; E390-K405 IonicContact OE2-NZ 3.88Å; E390-K405 PolarHBondContact OE2-NZ 2.85Å
391	R	85.9	Confident	82.6	Confident	251 Å²	251	63.8 Å²	63.8	95%	0.947	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	45.7	176	-56.6	179.6	-178.7	168.9	0.8	112.9	K393	R391-K393 PolarHBondContact O-N 2.91Å
392	N	86.7	Confident	84.2	Confident	119 Å²	119	66.5 Å²	66.5	64%	0.636	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	9.4	-175.4	-61.9	-29.3	0	0	0	116.4	E390	E390-N392 VanDerWaalsContact C-N 3.26Å; E390-N392 PolarHBondContact O-N 3.35Å
393	K	93.4	Very high	85.6	Confident	66 Å²	66	64 Å²	64	29%	0.287	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	140.6	168	-72.4	-72	-166.1	165.7	0	109.8	E390 R391 D407	E390-K393 PolarHBondContact N-O 2.86Å; E390-K393 WeakPolarHBondContact O-CB 3.18Å; E390-K393 PolarHBondContact O-N 2.99Å; R391-K393 PolarHBondContact O-N 2.91Å; K393-D407 VanDerWaalsContact CD-OD1 3.26Å; K393-D407 WeakPolarHBondContact CD-OD1 3.3Å; K393-D407 WeakPolarHBondContact CE-OD1 3.41Å; K393-D407 IonicContact NZ-OD1 3.41Å; K393-D407 PolarHBondContact NZ-OD1 3.3Å; K393-D407 IonicContact NZ-OD2 2.62Å; K393-D407 PolarHBondContact NZ-OD2 2.89Å
394	I	96	Very high	86.6	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	132.3	172.5	-58.4	161.9	0	0	0	107.2	L300 H305 L389 L396 K405 T406 V409	L300-I394 HydrophobicContact CD1-CG2 3.81Å; L300-I394 HydrophobicContact CD2-CG1 4.1Å; L300-I394 HydrophobicContact CD2-CG2 4.43Å; H305-I394 HydrophobicContact CB-CD1 3.83Å; H305-I394 HydrophobicContact CB-CG1 4.29Å; H305-I394 WeakPolarHBondContact O-CD1 3.49Å; L389-I394 HydrophobicContact CD1-CG1 4.4Å; I394-L396 HydrophobicContact CG2-CD2 4.05Å; I394-L396 HydrophobicContact CG2-CG 4.4Å; I394-K405 CarbonylContact O-C 3.54Å; I394-K405 WeakPolarHBondContact O-CA 3.31Å; I394-T406 HydrophobicContact CB-CG2 3.9Å; I394-T406 HydrophobicContact CD1-CG2 4.47Å; I394-T406 HydrophobicContact CG2-CG2 4.22Å; I394-T406 PolarHBondContact N-O 3.49Å; I394-T406 PolarHBondContact O-N 2.85Å; I394-V409 HydrophobicContact CD1-CG2 3.98Å; I394-V409 HydrophobicContact CG2-CG2 3.88Å
395	V	96	Very high	88.5	Confident	2 Å²	2	67 Å²	67	1%	0.012	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.1	175.9	-171.8	0	0	0	0	108.3	A387 T388 E390 A403 L404 K405	A387-V395 WeakPolarHBondContact CA-O 3.36Å; T388-V395 PolarHBondContact N-O 2.9Å; T388-V395 PolarHBondContact O-N 3.06Å; E390-V395 HydrophobicContact CB-CG2 3.86Å; E390-V395 HydrophobicContact CG-CG2 3.79Å; V395-A403 HydrophobicContact CG1-CB 4.01Å; V395-L404 CarbonylContact C-O 3.56Å; V395-L404 WeakPolarHBondContact CA-O 3.13Å; V395-K405 HydrophobicContact CG2-CD 4.47Å; V395-K405 HydrophobicContact CG2-CG 4.13Å
396	L	92.5	Very high	89.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.3	173.7	-57.2	178.2	0	0	0	108.5	T329 I331 X384 K386 A387 I394 M398 A403 L404 V409	T329-L396 HydrophobicContact CG2-CD1 3.71Å; I331-L396 HydrophobicContact CD1-CD1 4.1Å; A384-L396 HydrophobicContact CB-CB 4.24Å; K386-L396 CarbonylContact O-C 3.46Å; K386-L396 WeakPolarHBondContact O-CA 3.03Å; A387-L396 HydrophobicContact CB-CD2 3.74Å; I394-L396 HydrophobicContact CG2-CD2 4.05Å; I394-L396 HydrophobicContact CG2-CG 4.4Å; L396-M398 HydrophobicContact CB-SD 3.86Å; L396-A403 CarbonylContact O-C 3.58Å; L396-A403 WeakPolarHBondContact O-CA 3.25Å; L396-L404 HydrophobicContact CB-CB 4.32Å; L396-L404 HydrophobicContact CD1-CD2 4.27Å; L396-L404 PolarHBondContact N-O 2.85Å; L396-L404 PolarHBondContact O-N 2.81Å; L396-V409 HydrophobicContact CD1-CG2 4.19Å; L396-V409 HydrophobicContact CD2-CG2 4.27Å
397	H	92.2	Very high	90.1	Very high	62 Å²	62	57 Å²	57	29%	0.287	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	114.2	175.5	-57.7	-95	0	0	0	108.2	K385 K386 T388	K385-H397 PolarHBondContact N-O 2.82Å; K386-H397 HydrophobicContact CB-CB 4.1Å; K386-H397 PolarHBondContact N-O 2.94Å; K386-H397 PolarHBondContact O-N 2.89Å; T388-H397 PolarHBondContact OG1-NE2 2.96Å; T388-H397 VanDerWaalsContact OG1-NE2 3.12Å
398	M	87.9	Confident	90.7	Very high	8 Å²	8	57 Å²	57	4%	0.039	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	160.5	-170.3	-49.3	-54.4	-95.1	0	0	111.2	T358 K382 E383 X384 L396 D400 G401 Q402 L404	T358-M398 HydrophobicContact CG2-CE 4.11Å; T358-M398 WeakPolarHBondContact OG1-CE 3.5Å; K382-M398 WeakPolarHBondContact O-CE 3.18Å; E383-M398 CarbonylContact O-C 3.51Å; E383-M398 WeakPolarHBondContact O-CA 3.5Å; A384-M398 HydrophobicContact CB-SD 3.91Å; L396-M398 HydrophobicContact CB-SD 3.86Å; M398-D400 WeakPolarHBondContact CB-OD1 3.37Å; M398-D400 PolarHBondContact O-N 3.26Å; M398-G401 PolarHBondContact O-N 2.94Å; M398-Q402 HydrophobicContact CB-CB 4.27Å; M398-Q402 WeakPolarHBondContact CB-O 3.49Å; M398-Q402 HydrophobicContact CG-CB 4.31Å; M398-Q402 WeakPolarHBondContact CG-O 3.48Å; M398-Q402 PolarHBondContact N-O 2.94Å; M398-L404 HydrophobicContact CG-CB 4.48Å; M398-L404 HydrophobicContact SD-CB 4.37Å
399	S	84.2	Confident	91.2	Very high	35 Å²	35	55.7 Å²	55.7	25%	0.245	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.5	-174.8	57	0	0	0	0	115.1	K382 E383 K385	K382-S399 WeakPolarHBondContact CB-OG 3.2Å; E383-S399 WeakPolarHBondContact O-CB 3.5Å; E383-S399 PolarHBondContact O-N 2.92Å; E383-S399 PolarHBondContact O-OG 3.16Å; K385-S399 VanDerWaalsContact CE-CA 3.49Å; K385-S399 PolarHBondContact NZ-O 3.45Å; K385-S399 VanDerWaalsContact NZ-O 3.12Å
400	D	82.8	Confident	91.6	Very high	59 Å²	59	53.5 Å²	53.5	32%	0.316	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3.4	171.1	53.7	12.7	0	0	0	114.5	K382 M398 Q402	K382-D400 HydrophobicContact CD-CB 3.72Å; K382-D400 HydrophobicContact CG-CB 4.48Å; M398-D400 WeakPolarHBondContact CB-OD1 3.37Å; M398-D400 PolarHBondContact O-N 3.26Å; D400-Q402 VanDerWaalsContact C-N 3.33Å; D400-Q402 WeakPolarHBondContact OD1-CB 3.37Å; D400-Q402 WeakPolarHBondContact OD1-CG 3.41Å; D400-Q402 PolarHBondContact OD1-N 2.88Å; D400-Q402 PolarHBondContact OD2-NE2 3.41Å
401	G	85.3	Confident	91.8	Very high	71 Å²	71	49.6 Å²	49.6	73%	0.732	26%	0.259	S	S	*	.	S	Bend	trans	85.5	0.7	-178.2	0	0	0	0	0	114.3	M398	M398-G401 PolarHBondContact O-N 2.94Å
402	Q	87.6	Confident	92.3	Very high	111 Å²	111	38.3 Å²	38.3	52%	0.519	22%	0.22	S	C	.	.			trans	-69.1	153.5	169.3	-63.5	-175.1	29.5	0	0	110.7	M398 D400	M398-Q402 HydrophobicContact CB-CB 4.27Å; M398-Q402 WeakPolarHBondContact CB-O 3.49Å; M398-Q402 HydrophobicContact CG-CB 4.31Å; M398-Q402 WeakPolarHBondContact CG-O 3.48Å; M398-Q402 PolarHBondContact N-O 2.94Å; D400-Q402 VanDerWaalsContact C-N 3.33Å; D400-Q402 WeakPolarHBondContact OD1-CB 3.37Å; D400-Q402 WeakPolarHBondContact OD1-CG 3.41Å; D400-Q402 PolarHBondContact OD1-N 2.88Å; D400-Q402 PolarHBondContact OD2-NE2 3.41Å
403	A	91.1	Very high	92.7	Very high	61 Å²	61	34.9 Å²	34.9	50%	0.504	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.8	172.7	0	0	0	0	0	109.2	V395 L396	V395-A403 HydrophobicContact CG1-CB 4.01Å; L396-A403 CarbonylContact O-C 3.58Å; L396-A403 WeakPolarHBondContact O-CA 3.25Å
404	L	91.5	Very high	92.8	Very high	29 Å²	29	33.6 Å²	33.6	15%	0.152	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.1	179.6	-167.5	90.4	0	0	0	109.8	T329 I356 V395 L396 M398	T329-L404 HydrophobicContact CG2-CD2 3.73Å; T329-L404 WeakPolarHBondContact OG1-CD2 3.47Å; I356-L404 HydrophobicContact CB-CD2 4.29Å; I356-L404 HydrophobicContact CD1-CD1 4.04Å; I356-L404 HydrophobicContact CD1-CD2 3.86Å; I356-L404 HydrophobicContact CD1-CG 4.08Å; I356-L404 HydrophobicContact CG2-CD1 4.11Å; I356-L404 HydrophobicContact CG2-CD2 3.7Å; V395-L404 CarbonylContact C-O 3.56Å; V395-L404 WeakPolarHBondContact CA-O 3.13Å; L396-L404 HydrophobicContact CB-CB 4.32Å; L396-L404 HydrophobicContact CD1-CD2 4.27Å; L396-L404 PolarHBondContact N-O 2.85Å; L396-L404 PolarHBondContact O-N 2.81Å; M398-L404 HydrophobicContact CG-CB 4.48Å; M398-L404 HydrophobicContact SD-CB 4.37Å
405	K	94.9	Very high	92.8	Very high	122 Å²	122	34 Å²	34	53%	0.53	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.7	176.6	-61.9	-166.4	172.9	-170.5	0	110.7	E390 I394 V395	E390-K405 IonicContact OE2-NZ 3.88Å; E390-K405 PolarHBondContact OE2-NZ 2.85Å; I394-K405 CarbonylContact O-C 3.54Å; I394-K405 WeakPolarHBondContact O-CA 3.31Å; V395-K405 HydrophobicContact CG2-CD 4.47Å; V395-K405 HydrophobicContact CG2-CG 4.13Å
406	T	95.9	Very high	92.8	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	158.7	-179.2	-162.9	0	0	0	0	112.7	S327 T329 I394 H408 V409	S327-T406 PolarHBondContact O-OG1 2.86Å; S327-T406 WeakPolarHBondContact OG-CA 3.49Å; T329-T406 PolarHBondContact N-OG1 3.33Å; T329-T406 WeakPolarHBondContact OG1-CB 3.17Å; T329-T406 WeakPolarHBondContact OG1-CG2 3.24Å; T329-T406 PolarHBondContact OG1-OG1 2.93Å; I394-T406 HydrophobicContact CB-CG2 3.9Å; I394-T406 HydrophobicContact CD1-CG2 4.47Å; I394-T406 HydrophobicContact CG2-CG2 4.22Å; I394-T406 PolarHBondContact N-O 3.49Å; I394-T406 PolarHBondContact O-N 2.85Å; T406-H408 PolarHBondContact OG1-O 3.13Å; T406-V409 HydrophobicContact CG2-CG2 3.69Å
407	D	96.7	Very high	93	Very high	39 Å²	39	37 Å²	37	21%	0.209	23%	0.225	C	C	.	.	S	Bend	trans	-82.9	-33.8	174.2	-68.1	-55.3	0	0	0	112.3	K326 S327 K393	K326-D407 WeakPolarHBondContact CA-OD2 3.4Å; K326-D407 WeakPolarHBondContact CB-OD2 3.42Å; K326-D407 PolarHBondContact N-OD2 3.4Å; S327-D407 PolarHBondContact N-OD2 3.09Å; S327-D407 VanDerWaalsContact O-CB 3.29Å; S327-D407 WeakPolarHBondContact O-CB 3.49Å; S327-D407 PolarHBondContact O-N 3.18Å; S327-D407 VanDerWaalsContact O-N 3.07Å; S327-D407 PolarHBondContact OG-N 2.81Å; K393-D407 VanDerWaalsContact CD-OD1 3.26Å; K393-D407 WeakPolarHBondContact CD-OD1 3.3Å; K393-D407 WeakPolarHBondContact CE-OD1 3.41Å; K393-D407 IonicContact NZ-OD1 3.41Å; K393-D407 PolarHBondContact NZ-OD1 3.3Å; K393-D407 IonicContact NZ-OD2 2.62Å; K393-D407 PolarHBondContact NZ-OD2 2.89Å
408	H	97.2	Very high	93.3	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.019	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	149	-177.6	-160.4	85.9	0	0	0	111.7	H305 T307 V321 S327 V328 T329 T406	H305-H408 PolarHBondContact O-ND1 2.87Å; T307-H408 PolarHBondContact N-NE2 3.18Å; T307-H408 PolarHBondContact OG1-NE2 2.83Å; V321-H408 HydrophobicContact CG1-CB 3.6Å; S327-H408 PolarHBondContact O-N 2.95Å; V328-H408 WeakPolarHBondContact CA-O 3.17Å; V328-H408 HydrophobicContact CG2-CB 4.27Å; T329-H408 PolarHBondContact N-O 3.48Å; T406-H408 PolarHBondContact OG1-O 3.13Å
409	V	96.8	Very high	93.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.4	178.1	177.5	0	0	0	0	110.7	I295 H305 Y306 T307 T329 I331 I394 L396 T406 V411	I295-V409 HydrophobicContact CD1-CG1 4.17Å; H305-V409 PolarHBondContact O-N 2.86Å; Y306-V409 CarbonylContact C-O 3.59Å; Y306-V409 WeakPolarHBondContact CA-O 3.39Å; Y306-V409 WeakPolarHBondContact CB-O 3.36Å; T307-V409 PolarHBondContact N-O 2.89Å; T329-V409 CarbonylContact O-C 3.58Å; T329-V409 VanDerWaalsContact O-CA 3.26Å; T329-V409 WeakPolarHBondContact O-CA 3.17Å; I331-V409 HydrophobicContact CD1-CG1 3.53Å; I331-V409 HydrophobicContact CG1-CG1 4.02Å; I394-V409 HydrophobicContact CD1-CG2 3.98Å; I394-V409 HydrophobicContact CG2-CG2 3.88Å; L396-V409 HydrophobicContact CD1-CG2 4.19Å; L396-V409 HydrophobicContact CD2-CG2 4.27Å; T406-V409 HydrophobicContact CG2-CG2 3.69Å; V409-V411 HydrophobicContact CG1-CG2 3.93Å
410	I	97.5	Very high	94.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.3	168.1	-58.7	167.7	0	0	0	107.4	T307 L318 V328 T329 I330 I331 L340 L344	T307-I410 WeakPolarHBondContact O-CA 3.37Å; L318-I410 HydrophobicContact CD1-CD1 3.63Å; L318-I410 HydrophobicContact CD1-CG1 3.78Å; L318-I410 HydrophobicContact CD2-CD1 3.38Å; L318-I410 HydrophobicContact CD2-CG1 4.08Å; L318-I410 HydrophobicContact CG-CD1 4.11Å; V328-I410 HydrophobicContact CG1-CD1 3.67Å; V328-I410 HydrophobicContact CG1-CG1 3.99Å; T329-I410 PolarHBondContact O-N 2.9Å; I330-I410 CarbonylContact C-O 3.59Å; I330-I410 WeakPolarHBondContact CA-O 3.29Å; I330-I410 HydrophobicContact CB-CB 4.5Å; I330-I410 HydrophobicContact CG1-CB 4.16Å; I330-I410 HydrophobicContact CG1-CD1 3.84Å; I330-I410 HydrophobicContact CG1-CG1 4.49Å; I330-I410 HydrophobicContact CG2-CB 4.42Å; I330-I410 HydrophobicContact CG2-CG2 4.48Å; I331-I410 PolarHBondContact N-O 2.89Å; L340-I410 HydrophobicContact CD1-CG2 3.89Å; L344-I410 HydrophobicContact CD1-CD1 3.41Å; L344-I410 VanDerWaalsContact CD1-CD1 3.41Å
411	V	96.5	Very high	95.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	113.8	179.3	-177.1	0	0	0	0	108.5	L292 I295 T307 L308 V409 V413	L292-V411 HydrophobicContact CG-CG1 4.3Å; I295-V411 HydrophobicContact CD1-CG2 3.36Å; T307-V411 PolarHBondContact O-N 2.64Å; L308-V411 HydrophobicContact CD2-CB 3.76Å; L308-V411 HydrophobicContact CD2-CG1 3.97Å; V409-V411 HydrophobicContact CG1-CG2 3.93Å; V411-V413 HydrophobicContact CG1-CG1 4.09Å; V411-V413 HydrophobicContact CG1-CG2 3.81Å
412	A	96.5	Very high	95.6	Very high	14 Å²	14	31.5 Å²	31.5	12%	0.116	18%	0.18	C	C	.	.			trans	-127.3	59.2	-176.2	0	0	0	0	0	110.7	I331 L336	I331-A412 PolarHBondContact O-N 3.32Å; L336-A412 HydrophobicContact CD2-CB 4.37Å; L336-A412 HydrophobicContact CG-CB 4.33Å
413	V	95	Very high	96.1	Very high	48 Å²	48	34.4 Å²	34.4	29%	0.291	19%	0.194	S	C	.	.	S	Bend	trans	-106.2	24	-171.3	-57.4	0	0	0	0	113.9	K290 L292 I331 V411	K290-V413 HydrophobicContact CB-CG2 3.94Å; K290-V413 WeakPolarHBondContact O-CG2 3.25Å; L292-V413 HydrophobicContact CD1-CG1 4.42Å; L292-V413 HydrophobicContact CD2-CG1 4.22Å; L292-V413 HydrophobicContact CD2-CG2 4.18Å; L292-V413 HydrophobicContact CG-CG1 4.26Å; L292-V413 HydrophobicContact CG-CG2 4.28Å; I331-V413 HydrophobicContact CG2-CG1 4.31Å; V411-V413 HydrophobicContact CG1-CG1 4.09Å; V411-V413 HydrophobicContact CG1-CG2 3.81Å
414	G	94.8	Very high	96.4	Very high	38 Å²	38	33.1 Å²	33.1	39%	0.392	18%	0.181	S	C	.	.			trans	101.3	-177.1	176.7	0	0	0	0	0	114.3	K290	K290-G414 PolarHBondContact N-O 3.1Å
415	L	95.9	Very high	96.6	Very high	9 Å²	9	32.1 Å²	32.1	5%	0.047	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.5	-174.1	-160.6	79.6	0	0	0	111.5	Y288 K290 D453 E468	Y288-L415 WeakPolarHBondContact O-CD1 3.44Å; K290-L415 VanDerWaalsContact CE-O 3.26Å; K290-L415 WeakPolarHBondContact CE-O 3.44Å; L415-D453 HydrophobicContact CD2-CB 3.99Å; L415-E468 VanDerWaalsContact CB-CD 3.43Å; L415-E468 HydrophobicContact CB-CG 4.35Å; L415-E468 WeakPolarHBondContact CB-OE1 3.29Å; L415-E468 VanDerWaalsContact CB-OE2 3.29Å; L415-E468 WeakPolarHBondContact CB-OE2 3.44Å; L415-E468 HydrophobicContact CD2-CG 4.09Å
416	Q	95.8	Very high	96.8	Very high	66 Å²	66	28.6 Å²	28.6	31%	0.308	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.8	164.8	-175.8	64.6	27.9	0	0	108.5	G287 Y288 K290	G287-Q416 CarbonylContact C-O 3.43Å; G287-Q416 WeakPolarHBondContact CA-O 3.44Å; Y288-Q416 HydrophobicContact CD2-CB 3.95Å; Y288-Q416 HydrophobicContact CE1-CB 4.3Å; Y288-Q416 HydrophobicContact CE1-CG 4.1Å; Y288-Q416 HydrophobicContact CE2-CB 3.52Å; Y288-Q416 HydrophobicContact CE2-CG 3.68Å; Y288-Q416 VanDerWaalsContact CZ-CG 3.41Å; Y288-Q416 PolarHBondContact N-O 3.07Å; Y288-Q416 PolarHBondContact O-N 2.93Å; Y288-Q416 VanDerWaalsContact OH-CG 3.25Å; Y288-Q416 WeakPolarHBondContact OH-CG 3.39Å; K290-Q416 HydrophobicContact CG-CB 4.36Å
417	P	97.8	Very high	96.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	139.7	177.5	24.8	-33	0	0	0	111	V419	P417-V419 HydrophobicContact CB-CG1 4.35Å; P417-V419 PolarHBondContact O-N 2.79Å; P417-V419 VanDerWaalsContact O-N 3.16Å
418	N	97.4	Very high	97	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.064	19%	0.194	C	C	.	.			trans	-81.8	97.7	179.3	-176.3	-12.3	0	0	0	109.6	T285 G286 Y288 D420 F436	T285-N418 PolarHBondContact OG1-O 2.79Å; G286-N418 PolarHBondContact O-N 3.27Å; Y288-N418 HydrophobicContact CD1-CB 4.24Å; N418-D420 WeakPolarHBondContact OD1-CB 3.36Å; N418-D420 PolarHBondContact OD1-N 2.85Å; N418-D420 PolarHBondContact OD1-OD2 3Å; N418-F436 WeakPolarHBondContact O-CE2 2.96Å
419	V	97.7	Very high	97	Very high	28 Å²	28	35.2 Å²	35.2	17%	0.17	21%	0.209	C	C	.	.			trans	-109.8	20.6	-178.8	-62.1	0	0	0	0	112.6	P417 L421 A422 V429 F436	P417-V419 HydrophobicContact CB-CG1 4.35Å; P417-V419 PolarHBondContact O-N 2.79Å; P417-V419 VanDerWaalsContact O-N 3.16Å; V419-L421 PolarHBondContact O-N 3.3Å; V419-A422 HydrophobicContact CB-CB 4.37Å; V419-A422 WeakPolarHBondContact O-CB 3.47Å; V419-A422 PolarHBondContact O-N 2.71Å; V419-V429 HydrophobicContact CB-CG2 3.89Å; V419-V429 HydrophobicContact CG1-CG1 4.18Å; V419-V429 HydrophobicContact CG1-CG2 4.09Å; V419-V429 HydrophobicContact CG2-CG1 4.32Å; V419-V429 HydrophobicContact CG2-CG2 4.18Å; V419-F436 HydrophobicContact CB-CE1 4.49Å; V419-F436 HydrophobicContact CB-CE2 4.25Å; V419-F436 HydrophobicContact CB-CZ 4.1Å; V419-F436 HydrophobicContact CG1-CD2 4.11Å; V419-F436 HydrophobicContact CG1-CE2 3.97Å; V419-F436 HydrophobicContact CG1-CZ 4.29Å
420	D	96.5	Very high	97.1	Very high	62 Å²	62	35.6 Å²	35.6	33%	0.332	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.9	-174.1	-69.6	-16.9	0	0	0	112.8	P137 N418	P137-D420 WeakPolarHBondContact CA-OD2 3.2Å; P137-D420 HydrophobicContact CB-CB 4.29Å; P137-D420 WeakPolarHBondContact CB-OD2 3.36Å; N418-D420 WeakPolarHBondContact OD1-CB 3.36Å; N418-D420 PolarHBondContact OD1-N 2.85Å; N418-D420 PolarHBondContact OD1-OD2 3Å
421	L	97.8	Very high	97	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.026	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-13.1	176.3	-68.1	177.2	0	0	0	114.5	I162 V258 L261 V419 E423 S424 A425 F436	I162-L421 HydrophobicContact CD1-CD1 3.91Å; I162-L421 HydrophobicContact CG2-CD1 4.06Å; V258-L421 HydrophobicContact CB-CD1 4.46Å; V258-L421 HydrophobicContact CG1-CD1 4.28Å; V258-L421 HydrophobicContact CG1-CD2 4.05Å; L261-L421 HydrophobicContact CB-CD2 4.27Å; V419-L421 PolarHBondContact O-N 3.3Å; L421-E423 VanDerWaalsContact C-N 3.35Å; L421-E423 PolarHBondContact O-N 2.72Å; L421-S424 PolarHBondContact O-N 3.03Å; L421-S424 PolarHBondContact O-OG 2.89Å; L421-A425 WeakPolarHBondContact O-CB 3.14Å; L421-A425 PolarHBondContact O-N 2.99Å; L421-F436 HydrophobicContact CB-CZ 4.38Å
422	A	97.8	Very high	97	Very high	11 Å²	11	48.4 Å²	48.4	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-44.3	-171	0	0	0	0	0	113.2	V419 A425 G426 L427 V429 F436	V419-A422 HydrophobicContact CB-CB 4.37Å; V419-A422 WeakPolarHBondContact O-CB 3.47Å; V419-A422 PolarHBondContact O-N 2.71Å; A422-A425 PolarHBondContact O-N 2.83Å; A422-G426 PolarHBondContact O-N 2.9Å; A422-L427 PolarHBondContact O-N 3.1Å; A422-V429 HydrophobicContact CB-CG2 3.48Å; A422-V429 VanDerWaalsContact CB-CG2 3.48Å; A422-F436 HydrophobicContact CB-CD1 4.26Å; A422-F436 HydrophobicContact CB-CE1 3.61Å; A422-F436 HydrophobicContact CB-CZ 4.38Å
423	E	96.8	Very high	96.8	Very high	173 Å²	173	49.3 Å²	49.3	81%	0.808	29%	0.291	S	S	*	.	H	α-helix	trans	-64.3	-52	179.8	-176	173.2	-169	0	0	111.1	L421 A425 G426	L421-E423 VanDerWaalsContact C-N 3.35Å; L421-E423 PolarHBondContact O-N 2.72Å; E423-A425 VanDerWaalsContact C-N 3.27Å; E423-A425 PolarHBondContact O-N 3.12Å; E423-G426 PolarHBondContact O-N 3.27Å
424	S	96.9	Very high	96.9	Very high	33 Å²	33	47.6 Å²	47.6	23%	0.231	28%	0.283	C	S	.	.	H	α-helix	trans	-60.4	-37.4	178.8	56.1	0	0	0	0	113.4	H260 L261 L421	H260-S424 WeakPolarHBondContact ND1-CB 3.28Å; L261-S424 PolarHBondContact N-OG 2.76Å; L261-S424 CarbonylContact O-C 3.58Å; L421-S424 PolarHBondContact O-N 3.03Å; L421-S424 PolarHBondContact O-OG 2.89Å
425	A	97.5	Very high	97.1	Very high	8 Å²	8	45.8 Å²	45.8	7%	0.066	27%	0.265	C	S	.	.	H	α-helix	trans	-88.1	-4.9	-174.5	0	0	0	0	0	113.4	L261 V263 L421 A422 E423 L427	L261-A425 HydrophobicContact CB-CB 4.11Å; L261-A425 HydrophobicContact CD2-CB 4.06Å; L261-A425 HydrophobicContact CG-CB 4.3Å; L261-A425 WeakPolarHBondContact O-CA 3.44Å; L261-A425 PolarHBondContact O-N 3.22Å; V263-A425 HydrophobicContact CG2-CB 3.71Å; V263-A425 WeakPolarHBondContact CG2-O 3.45Å; L421-A425 WeakPolarHBondContact O-CB 3.14Å; L421-A425 PolarHBondContact O-N 2.99Å; A422-A425 PolarHBondContact O-N 2.83Å; E423-A425 VanDerWaalsContact C-N 3.27Å; E423-A425 PolarHBondContact O-N 3.12Å; A425-L427 HydrophobicContact CB-CD1 3.83Å; A425-L427 HydrophobicContact CB-CG 3.6Å; A425-L427 PolarHBondContact O-N 3.25Å
426	G	97.7	Very high	97.2	Very high	48 Å²	48	45.4 Å²	45.4	50%	0.495	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	36.5	-173.9	0	0	0	0	0	112.9	A422 E423 R445	A422-G426 PolarHBondContact O-N 2.9Å; E423-G426 PolarHBondContact O-N 3.27Å; G426-R445 PolarHBondContact O-NH2 3.35Å
427	L	98.2	Very high	97.4	Very high	13 Å²	13	44.3 Å²	44.3	7%	0.068	26%	0.259	C	S	.	.			trans	-98.6	145	-179.1	-58.6	-177.4	0	0	0	111.3	I283 A422 A425 F436 A444 R445 V448	I283-L427 HydrophobicContact CD1-CD1 3.4Å; I283-L427 VanDerWaalsContact CD1-CD1 3.4Å; A422-L427 PolarHBondContact O-N 3.1Å; A425-L427 HydrophobicContact CB-CD1 3.83Å; A425-L427 HydrophobicContact CB-CG 3.6Å; A425-L427 PolarHBondContact O-N 3.25Å; L427-F436 HydrophobicContact CB-CD1 3.85Å; L427-F436 HydrophobicContact CB-CE1 4.14Å; L427-F436 HydrophobicContact CD1-CD1 3.9Å; L427-F436 HydrophobicContact CD1-CE1 3.95Å; L427-A444 HydrophobicContact CD1-CB 4.17Å; L427-A444 HydrophobicContact CD2-CB 3.93Å; L427-R445 HydrophobicContact CD2-CB 4.13Å; L427-R445 HydrophobicContact CD2-CG 3.25Å; L427-V448 HydrophobicContact CD1-CG1 4.4Å
428	E	98.2	Very high	97.4	Very high	115 Å²	115	44.5 Å²	44.5	54%	0.537	26%	0.26	S	S	.	.			trans	-81.2	139.9	179.7	-63.9	173.3	-160.6	0	0	111.3	F436 L437	E428-F436 WeakPolarHBondContact O-CA 3.4Å; E428-L437 HydrophobicContact CB-CB 4.2Å; E428-L437 HydrophobicContact CB-CD1 3.97Å; E428-L437 HydrophobicContact CB-CG 4.49Å; E428-L437 PolarHBondContact O-N 2.93Å
429	V	98.4	Very high	97.4	Very high	55 Å²	55	46.7 Å²	46.7	33%	0.333	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-111.5	135.3	174.5	177.4	0	0	0	0	108.9	V419 A422 P431 G435	V419-V429 HydrophobicContact CB-CG2 3.89Å; V419-V429 HydrophobicContact CG1-CG1 4.18Å; V419-V429 HydrophobicContact CG1-CG2 4.09Å; V419-V429 HydrophobicContact CG2-CG1 4.32Å; V419-V429 HydrophobicContact CG2-CG2 4.18Å; A422-V429 HydrophobicContact CB-CG2 3.48Å; A422-V429 VanDerWaalsContact CB-CG2 3.48Å; V429-P431 WeakPolarHBondContact O-CD 3.46Å; V429-G435 CarbonylContact C-O 3.38Å; V429-G435 WeakPolarHBondContact CA-O 3.39Å
430	D	98.1	Very high	97.4	Very high	8 Å²	8	48 Å²	48	4%	0.043	29%	0.285	C	S	.	.			trans	-66.9	120	178.6	-168.3	-43.2	0	0	0	110.6	N432 S433 G434 G435 L437 S456 R464	D430-N432 VanDerWaalsContact C-N 3.26Å; D430-N432 PolarHBondContact O-N 3.24Å; D430-N432 WeakPolarHBondContact OD1-CA 3.45Å; D430-N432 WeakPolarHBondContact OD1-CB 3.47Å; D430-N432 PolarHBondContact OD1-N 3.12Å; D430-S433 PolarHBondContact OD1-N 3.4Å; D430-S433 VanDerWaalsContact OD1-N 3.14Å; D430-S433 PolarHBondContact OD2-OG 3.14Å; D430-S433 VanDerWaalsContact OD2-OG 3.1Å; D430-G434 WeakPolarHBondContact O-CA 3.16Å; D430-G434 PolarHBondContact O-N 3.05Å; D430-G435 PolarHBondContact N-O 3.47Å; D430-L437 HydrophobicContact CB-CD2 3.71Å; D430-L437 HydrophobicContact CB-CG 4.04Å; D430-L437 WeakPolarHBondContact OD2-CD2 3.43Å; D430-S456 PolarHBondContact OD2-OG 3.08Å; D430-R464 WeakPolarHBondContact OD2-CG 3.48Å
431	P	96.6	Very high	97.5	Very high	116 Å²	116	46.8 Å²	46.8	75%	0.753	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-20	-178.1	29.3	-35.6	0	0	0	113.6	V429	V429-P431 WeakPolarHBondContact O-CD 3.46Å
432	N	95.6	Very high	97.5	Very high	153 Å²	153	46.6 Å²	46.6	82%	0.818	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-52.3	-174.8	-59.5	-52.8	0	0	0	111.6	D430	D430-N432 VanDerWaalsContact C-N 3.26Å; D430-N432 PolarHBondContact O-N 3.24Å; D430-N432 WeakPolarHBondContact OD1-CA 3.45Å; D430-N432 WeakPolarHBondContact OD1-CB 3.47Å; D430-N432 PolarHBondContact OD1-N 3.12Å
433	S	93.2	Very high	97.6	Very high	34 Å²	34	49.7 Å²	49.7	24%	0.238	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-13.9	-177.7	63.8	0	0	0	0	113.8	D430 S456 R466	D430-S433 PolarHBondContact OD1-N 3.4Å; D430-S433 VanDerWaalsContact OD1-N 3.14Å; D430-S433 PolarHBondContact OD2-OG 3.14Å; D430-S433 VanDerWaalsContact OD2-OG 3.1Å; S433-S456 PolarHBondContact OG-OG 2.79Å; S433-R466 PolarHBondContact O-NE 3.14Å
434	G	96.7	Very high	97.6	Very high	12 Å²	12	42 Å²	42	12%	0.124	25%	0.252	C	S	.	.			trans	68.6	175	-162.2	0	0	0	0	0	112.3	D430 R466	D430-G434 WeakPolarHBondContact O-CA 3.16Å; D430-G434 PolarHBondContact O-N 3.05Å; G434-R466 WeakPolarHBondContact O-CD 3.21Å
435	G	98.5	Very high	97.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	88.6	163.2	179.8	0	0	0	0	0	112.5	V429 D430 C454	V429-G435 CarbonylContact C-O 3.38Å; V429-G435 WeakPolarHBondContact CA-O 3.39Å; D430-G435 PolarHBondContact N-O 3.47Å; G435-C454 CarbonylContact C-O 3.49Å; G435-C454 WeakPolarHBondContact CA-O 3.18Å
436	F	98.7	Very high	97.4	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.8	179.2	-61.8	-86.5	0	0	0	110.5	I283 N418 V419 L421 A422 L427 E428 C438 V450 C454 S456	I283-F436 HydrophobicContact CD1-CE1 4.4Å; I283-F436 HydrophobicContact CD1-CZ 4.37Å; I283-F436 HydrophobicContact CG2-CD2 4.19Å; I283-F436 HydrophobicContact CG2-CE2 3.63Å; I283-F436 HydrophobicContact CG2-CZ 4.06Å; N418-F436 WeakPolarHBondContact O-CE2 2.96Å; V419-F436 HydrophobicContact CB-CE1 4.49Å; V419-F436 HydrophobicContact CB-CE2 4.25Å; V419-F436 HydrophobicContact CB-CZ 4.1Å; V419-F436 HydrophobicContact CG1-CD2 4.11Å; V419-F436 HydrophobicContact CG1-CE2 3.97Å; V419-F436 HydrophobicContact CG1-CZ 4.29Å; L421-F436 HydrophobicContact CB-CZ 4.38Å; A422-F436 HydrophobicContact CB-CD1 4.26Å; A422-F436 HydrophobicContact CB-CE1 3.61Å; A422-F436 HydrophobicContact CB-CZ 4.38Å; L427-F436 HydrophobicContact CB-CD1 3.85Å; L427-F436 HydrophobicContact CB-CE1 4.14Å; L427-F436 HydrophobicContact CD1-CD1 3.9Å; L427-F436 HydrophobicContact CD1-CE1 3.95Å; E428-F436 WeakPolarHBondContact O-CA 3.4Å; F436-C438 PolarHBondContact O-N 3.18Å; F436-V450 HydrophobicContact CB-CB 4.4Å; F436-V450 HydrophobicContact CB-CG1 4.04Å; F436-V450 HydrophobicContact CB-CG2 3.82Å; F436-V450 HydrophobicContact CD2-CG1 3.86Å; F436-V450 HydrophobicContact CD2-CG2 4.5Å; F436-V450 HydrophobicContact CG-CG1 4.29Å; F436-V450 HydrophobicContact CG-CG2 4.23Å; F436-C454 HydrophobicContact CD2-CB 4.22Å; F436-C454 HydrophobicContact CE2-CB 4.38Å; F436-C454 PolarHBondContact N-O 3.34Å; F436-S456 WeakPolarHBondContact O-CA 3.44Å; F436-S456 PolarHBondContact O-N 2.69Å
437	L	98.4	Very high	97.5	Very high	43 Å²	43	50 Å²	50	23%	0.225	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.7	173.2	-75.4	173.6	0	0	0	110	E428 D430 R464	E428-L437 HydrophobicContact CB-CB 4.2Å; E428-L437 HydrophobicContact CB-CD1 3.97Å; E428-L437 HydrophobicContact CB-CG 4.49Å; E428-L437 PolarHBondContact O-N 2.93Å; D430-L437 HydrophobicContact CB-CD2 3.71Å; D430-L437 HydrophobicContact CB-CG 4.04Å; D430-L437 WeakPolarHBondContact OD2-CD2 3.43Å; L437-R464 HydrophobicContact CD2-CG 4.27Å
438	C	98.3	Very high	97.5	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.034	28%	0.277	C	S	.	.			trans	-126.6	153.1	177.1	-64.2	0	0	0	0	112.9	F436 R443 V450 S456 R464	F436-C438 PolarHBondContact O-N 3.18Å; C438-R443 CarbonylContact C-O 3.43Å; C438-R443 VanDerWaalsContact CA-O 3.28Å; C438-R443 WeakPolarHBondContact CA-O 3.29Å; C438-V450 WeakPolarHBondContact SG-CB 3.15Å; C438-V450 WeakPolarHBondContact SG-CG2 3.28Å; C438-S456 PolarHBondContact N-O 2.54Å; C438-R464 PolarHBondContact O-NH1 3.33Å; C438-R464 PolarHBondContact O-NH2 2.93Å
439	D	97.6	Very high	97.5	Very high	57 Å²	57	44.4 Å²	44.4	31%	0.305	25%	0.253	S	S	.	.			trans	-73.2	-175.6	169.4	76.2	3.8	0	0	0	111.8	E441 L442 R443	D439-E441 PolarHBondContact O-N 3.47Å; D439-E441 WeakPolarHBondContact OD1-CA 3.29Å; D439-E441 PolarHBondContact OD1-N 3.46Å; D439-L442 PolarHBondContact O-N 3.12Å; D439-L442 VanDerWaalsContact O-N 3.15Å; D439-L442 PolarHBondContact OD1-N 3.25Å; D439-L442 VanDerWaalsContact OD1-N 3.13Å; D439-R443 PolarHBondContact N-O 3.15Å; D439-R443 WeakPolarHBondContact OD1-CB 3.27Å; D439-R443 PolarHBondContact OD1-N 2.94Å; D439-R443 IonicContact OD1-NE 3.55Å; D439-R443 IonicContact OD2-CZ 3.16Å; D439-R443 VanDerWaalsContact OD2-CZ 3.31Å; D439-R443 IonicContact OD2-NE 3.29Å; D439-R443 PolarHBondContact OD2-NE 3.07Å; D439-R443 IonicContact OD2-NH2 3.31Å; D439-R443 PolarHBondContact OD2-NH2 2.95Å
440	A	97.8	Very high	97.6	Very high	56 Å²	56	41.8 Å²	41.8	46%	0.463	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.4	179	0	0	0	0	0	113	L442 P490 Y491	A440-L442 VanDerWaalsContact C-N 3.29Å; A440-P490 HydrophobicContact CB-CB 4.19Å; A440-P490 CarbonylContact O-C 2.84Å; A440-P490 WeakPolarHBondContact O-CA 3.4Å; A440-Y491 PolarHBondContact O-N 2.79Å
441	E	98.4	Very high	97.6	Very high	37 Å²	37	41.4 Å²	41.4	17%	0.173	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	10.2	178	-68	174.9	-130.6	0	0	112.5	D439 R443 W449 N483	D439-E441 PolarHBondContact O-N 3.47Å; D439-E441 WeakPolarHBondContact OD1-CA 3.29Å; D439-E441 PolarHBondContact OD1-N 3.46Å; E441-R443 VanDerWaalsContact C-N 3.27Å; E441-R443 HydrophobicContact CB-CG 4.4Å; E441-R443 PolarHBondContact O-N 3.01Å; E441-R443 IonicContact OE1-CZ 2.71Å; E441-R443 IonicContact OE1-NH1 2.8Å; E441-R443 IonicContact OE1-NH2 3.45Å; E441-R443 PolarHBondContact OE1-NH2 2.77Å; E441-R443 IonicContact OE2-CZ 3.99Å; E441-R443 IonicContact OE2-NE 2.84Å; E441-R443 IonicContact OE2-NH1 2.85Å; E441-R443 PolarHBondContact OE2-NH1 3.18Å; E441-R443 IonicContact OE2-NH2 3.09Å; E441-R443 PolarHBondContact OE2-NH2 2.99Å; E441-W449 PolarHBondContact O-NE1 2.81Å; E441-N483 PolarHBondContact O-ND2 3.01Å
442	L	98.7	Very high	97.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	66.1	21	-175.5	-53	178	0	0	0	114.4	D439 A440 W449 V450 F457 S476 L479 A480 Y491	D439-L442 PolarHBondContact O-N 3.12Å; D439-L442 VanDerWaalsContact O-N 3.15Å; D439-L442 PolarHBondContact OD1-N 3.25Å; D439-L442 VanDerWaalsContact OD1-N 3.13Å; A440-L442 VanDerWaalsContact C-N 3.29Å; L442-W449 CarbonylContact O-C 3.41Å; L442-W449 VanDerWaalsContact O-CA 3.25Å; L442-W449 WeakPolarHBondContact O-CA 3.2Å; L442-V450 PolarHBondContact O-N 3.14Å; L442-F457 HydrophobicContact CD2-CB 4.01Å; L442-S476 WeakPolarHBondContact CD1-O 3.4Å; L442-L479 HydrophobicContact CD1-CB 4.27Å; L442-L479 HydrophobicContact CD1-CD2 3.96Å; L442-L479 HydrophobicContact CD1-CG 4.34Å; L442-L479 HydrophobicContact CG-CD2 4.28Å; L442-A480 HydrophobicContact CD1-CB 4.46Å; L442-Y491 HydrophobicContact CD1-CD2 4.1Å; L442-Y491 HydrophobicContact CD1-CG 4.29Å; L442-Y491 HydrophobicContact CD2-CD1 4.25Å; L442-Y491 HydrophobicContact CD2-CG 3.92Å; L442-Y491 HydrophobicContact CG-CG 4.34Å
443	R	98.5	Very high	97.8	Very high	76 Å²	76	29.5 Å²	29.5	29%	0.287	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	139.2	175.3	-64.8	179.6	-61.4	-141.1	-10.1	111.3	C438 D439 E441 V448 W449	C438-R443 CarbonylContact C-O 3.43Å; C438-R443 VanDerWaalsContact CA-O 3.28Å; C438-R443 WeakPolarHBondContact CA-O 3.29Å; D439-R443 PolarHBondContact N-O 3.15Å; D439-R443 WeakPolarHBondContact OD1-CB 3.27Å; D439-R443 PolarHBondContact OD1-N 2.94Å; D439-R443 IonicContact OD1-NE 3.55Å; D439-R443 IonicContact OD2-CZ 3.16Å; D439-R443 VanDerWaalsContact OD2-CZ 3.31Å; D439-R443 IonicContact OD2-NE 3.29Å; D439-R443 PolarHBondContact OD2-NE 3.07Å; D439-R443 IonicContact OD2-NH2 3.31Å; D439-R443 PolarHBondContact OD2-NH2 2.95Å; E441-R443 VanDerWaalsContact C-N 3.27Å; E441-R443 HydrophobicContact CB-CG 4.4Å; E441-R443 PolarHBondContact O-N 3.01Å; E441-R443 IonicContact OE1-CZ 2.71Å; E441-R443 IonicContact OE1-NH1 2.8Å; E441-R443 IonicContact OE1-NH2 3.45Å; E441-R443 PolarHBondContact OE1-NH2 2.77Å; E441-R443 IonicContact OE2-CZ 3.99Å; E441-R443 IonicContact OE2-NE 2.84Å; E441-R443 IonicContact OE2-NH1 2.85Å; E441-R443 PolarHBondContact OE2-NH1 3.18Å; E441-R443 IonicContact OE2-NH2 3.09Å; E441-R443 PolarHBondContact OE2-NH2 2.99Å; R443-V448 WeakPolarHBondContact CA-O 3.4Å; R443-W449 HydrophobicContact CG-CD2 4.14Å; R443-W449 HydrophobicContact CG-CG 4.22Å; R443-W449 HydrophobicContact CG-CZ2 3.96Å
444	A	98.4	Very high	98.1	Very high	12 Å²	12	27.9 Å²	27.9	10%	0.099	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-33.7	166.7	0	0	0	0	0	112	L427 V448 V450	L427-A444 HydrophobicContact CD1-CB 4.17Å; L427-A444 HydrophobicContact CD2-CB 3.93Å; A444-V448 PolarHBondContact N-O 2.84Å; A444-V450 HydrophobicContact CB-CG2 3.83Å
445	R	97.5	Very high	98.2	Very high	104 Å²	104	27.3 Å²	27.3	39%	0.392	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	179.1	173.7	-74.8	-68	177.9	-100.8	4.4	110.4	V263 G426 L427 D447 V448	V263-R445 HydrophobicContact CG1-CB 3.83Å; V263-R445 HydrophobicContact CG1-CG 4.07Å; G426-R445 PolarHBondContact O-NH2 3.35Å; L427-R445 HydrophobicContact CD2-CB 4.13Å; L427-R445 HydrophobicContact CD2-CG 3.25Å; R445-D447 PolarHBondContact O-N 2.84Å; R445-V448 HydrophobicContact CB-CB 4.25Å; R445-V448 HydrophobicContact CB-CG2 4.41Å; R445-V448 PolarHBondContact N-O 2.96Å; R445-V448 PolarHBondContact O-N 2.92Å
446	S	92.8	Very high	98.2	Very high	99 Å²	99	27.3 Å²	27.3	69%	0.692	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	127.1	168.3	-59	0	0	0	0	108.6	V448	S446-V448 PolarHBondContact O-N 3Å; S446-V448 VanDerWaalsContact O-N 3.17Å
447	D	98.3	Very high	98.2	Very high	54 Å²	54	27.4 Å²	27.4	29%	0.289	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	11.4	-177.5	-55.7	-49.5	0	0	0	117.4	H266 K280 C281 R445 W449	H266-D447 IonicContact NE2-OD2 3.55Å; H266-D447 PolarHBondContact NE2-OD2 3.41Å; K280-D447 HydrophobicContact CG-CB 4.22Å; C281-D447 PolarHBondContact N-O 2.62Å; R445-D447 PolarHBondContact O-N 2.84Å; D447-W449 VanDerWaalsContact CA-CZ3 3.45Å; D447-W449 HydrophobicContact CB-CZ3 4.45Å; D447-W449 WeakPolarHBondContact O-CZ3 3.49Å
448	V	98.8	Very high	98.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116.8	177	-173.3	0	0	0	0	111	V263 C281 I283 L427 R443 A444 R445 S446	V263-V448 HydrophobicContact CG1-CG2 4Å; V263-V448 HydrophobicContact CG2-CG2 4.25Å; C281-V448 HydrophobicContact CB-CG2 4.35Å; C281-V448 WeakPolarHBondContact O-CA 3.49Å; I283-V448 HydrophobicContact CD1-CG1 3.93Å; I283-V448 HydrophobicContact CG1-CG1 4.12Å; L427-V448 HydrophobicContact CD1-CG1 4.4Å; R443-V448 WeakPolarHBondContact CA-O 3.4Å; A444-V448 PolarHBondContact N-O 2.84Å; R445-V448 HydrophobicContact CB-CB 4.25Å; R445-V448 HydrophobicContact CB-CG2 4.41Å; R445-V448 PolarHBondContact N-O 2.96Å; R445-V448 PolarHBondContact O-N 2.92Å; S446-V448 PolarHBondContact O-N 3Å; S446-V448 VanDerWaalsContact O-N 3.17Å
449	W	98.9	Very high	98	Very high	10 Å²	10	31.4 Å²	31.4	4%	0.038	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	162.8	174.9	-71.4	-99.5	0	0	0	111.8	K280 C281 L282 I283 E441 L442 R443 D447 A480 N483 M484	K280-W449 HydrophobicContact CB-CZ3 4.02Å; K280-W449 HydrophobicContact CD-CH2 4.06Å; K280-W449 HydrophobicContact CD-CZ3 3.94Å; K280-W449 HydrophobicContact CG-CZ3 4.08Å; C281-W449 PolarHBondContact O-N 2.85Å; L282-W449 CarbonylContact C-O 3.56Å; L282-W449 WeakPolarHBondContact CA-O 3.31Å; L282-W449 HydrophobicContact CD1-CB 3.87Å; I283-W449 PolarHBondContact N-O 3.12Å; E441-W449 PolarHBondContact O-NE1 2.81Å; L442-W449 CarbonylContact O-C 3.41Å; L442-W449 VanDerWaalsContact O-CA 3.25Å; L442-W449 WeakPolarHBondContact O-CA 3.2Å; R443-W449 HydrophobicContact CG-CD2 4.14Å; R443-W449 HydrophobicContact CG-CG 4.22Å; R443-W449 HydrophobicContact CG-CZ2 3.96Å; D447-W449 VanDerWaalsContact CA-CZ3 3.45Å; D447-W449 HydrophobicContact CB-CZ3 4.45Å; D447-W449 WeakPolarHBondContact O-CZ3 3.49Å; W449-A480 HydrophobicContact CB-CB 4.07Å; W449-A480 HydrophobicContact CG-CB 4.43Å; W449-N483 HydrophobicContact CZ2-CB 4.29Å; W449-M484 HydrophobicContact CD2-CG 3.69Å; W449-M484 HydrophobicContact CE3-CG 3.35Å; W449-M484 HydrophobicContact CE3-SD 4.33Å; W449-M484 HydrophobicContact CG-CG 4.31Å; W449-M484 HydrophobicContact CH2-CG 4.29Å; W449-M484 HydrophobicContact CZ3-CB 4.44Å; W449-M484 HydrophobicContact CZ3-CG 3.66Å
450	V	98.9	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.1	172.9	-166.6	0	0	0	0	110.2	I283 F436 C438 L442 A444 C454 C455	I283-V450 HydrophobicContact CB-CG1 4.32Å; I283-V450 HydrophobicContact CB-CG2 4.25Å; I283-V450 VanDerWaalsContact O-CA 3.23Å; I283-V450 WeakPolarHBondContact O-CA 3.49Å; I283-V450 VanDerWaalsContact O-CG1 3.27Å; I283-V450 WeakPolarHBondContact O-CG1 3.17Å; F436-V450 HydrophobicContact CB-CB 4.4Å; F436-V450 HydrophobicContact CB-CG1 4.04Å; F436-V450 HydrophobicContact CB-CG2 3.82Å; F436-V450 HydrophobicContact CD2-CG1 3.86Å; F436-V450 HydrophobicContact CD2-CG2 4.5Å; F436-V450 HydrophobicContact CG-CG1 4.29Å; F436-V450 HydrophobicContact CG-CG2 4.23Å; C438-V450 WeakPolarHBondContact SG-CB 3.15Å; C438-V450 WeakPolarHBondContact SG-CG2 3.28Å; L442-V450 PolarHBondContact O-N 3.14Å; A444-V450 HydrophobicContact CB-CG2 3.83Å; V450-C454 WeakPolarHBondContact CG1-SG 3.4Å; V450-C455 HydrophobicContact CB-CB 4.33Å; V450-C455 HydrophobicContact CG1-CB 3.92Å
451	A	98.9	Very high	97.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.164	C	C	.	.			trans	-144.4	163.3	178.7	0	0	0	0	0	113	A167 L282 I283 C454 A480	A167-A451 HydrophobicContact CB-CB 3.95Å; L282-A451 HydrophobicContact CD1-CB 3.92Å; I283-A451 PolarHBondContact O-N 3.44Å; I283-A451 VanDerWaalsContact O-N 3.07Å; A451-C454 PolarHBondContact O-SG 2.95Å; A451-A480 HydrophobicContact CB-CB 4.3Å
452	G	98.7	Very high	97.2	Very high	2 Å²	2	34 Å²	34	2%	0.021	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	67.5	-155.6	179.6	0	0	0	0	0	113.8	C454 C455 H472 S476	G452-C454 PolarHBondContact O-N 3.11Å; G452-C455 WeakPolarHBondContact O-CB 3.38Å; G452-C455 PolarHBondContact O-N 2.98Å; G452-H472 PolarHBondContact O-NE2 3.15Å; G452-S476 PolarHBondContact N-OG 3.25Å
453	D	98.6	Very high	97	Very high	17 Å²	17	34.8 Å²	34.8	9%	0.091	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-58.2	-20.1	-167.6	-51.6	-11.8	0	0	0	114.9	R310 L415 R466	R310-D453 IonicContact CZ-OD2 3.91Å; R310-D453 IonicContact NH2-OD2 3.44Å; R310-D453 PolarHBondContact NH2-OD2 3.36Å; L415-D453 HydrophobicContact CD2-CB 3.99Å; D453-R466 WeakPolarHBondContact O-CD 3.48Å; D453-R466 WeakPolarHBondContact O-CG 3.29Å
454	C	98.5	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-86	-6.9	177.8	66.9	0	0	0	0	114.3	G286 G435 F436 V450 A451 G452	G286-C454 VanDerWaalsContact O-CB 3.29Å; G286-C454 WeakPolarHBondContact O-CB 3.42Å; G435-C454 CarbonylContact C-O 3.49Å; G435-C454 WeakPolarHBondContact CA-O 3.18Å; F436-C454 HydrophobicContact CD2-CB 4.22Å; F436-C454 HydrophobicContact CE2-CB 4.38Å; F436-C454 PolarHBondContact N-O 3.34Å; V450-C454 WeakPolarHBondContact CG1-SG 3.4Å; A451-C454 PolarHBondContact O-SG 2.95Å; G452-C454 PolarHBondContact O-N 3.11Å
455	C	98.7	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.6	-176.1	-173.2	0	0	0	0	111.8	V450 G452	V450-C455 HydrophobicContact CB-CB 4.33Å; V450-C455 HydrophobicContact CG1-CB 3.92Å; G452-C455 WeakPolarHBondContact O-CB 3.38Å; G452-C455 PolarHBondContact O-N 2.98Å
456	S	98.5	Very high	96.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	94.8	162.9	-175	0	0	0	0	109.7	D430 S433 F436 C438 R464 R465	D430-S456 PolarHBondContact OD2-OG 3.08Å; S433-S456 PolarHBondContact OG-OG 2.79Å; F436-S456 WeakPolarHBondContact O-CA 3.44Å; F436-S456 PolarHBondContact O-N 2.69Å; C438-S456 PolarHBondContact N-O 2.54Å; S456-R464 PolarHBondContact O-NH1 3.36Å; S456-R464 WeakPolarHBondContact OG-CD 3.25Å; S456-R465 CarbonylContact C-O 3.58Å; S456-R465 WeakPolarHBondContact CA-O 3.49Å
457	F	98.3	Very high	97.2	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.013	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	167	-176.5	67.6	-85.8	0	0	0	111.9	L442 D459 R464 R465 V467 H472 Y491	L442-F457 HydrophobicContact CD2-CB 4.01Å; F457-D459 HydrophobicContact CD2-CB 4.5Å; F457-D459 HydrophobicContact CE2-CB 3.95Å; F457-R464 VanDerWaalsContact C-NH1 3.29Å; F457-R464 WeakPolarHBondContact O-CA 3.35Å; F457-R464 WeakPolarHBondContact O-CD 3.47Å; F457-R465 WeakPolarHBondContact CD1-O 3.47Å; F457-R465 HydrophobicContact CE1-CG 4.12Å; F457-R465 HydrophobicContact CE2-CG 3.94Å; F457-R465 HydrophobicContact CZ-CG 3.7Å; F457-R465 PolarHBondContact N-O 2.83Å; F457-R465 PolarHBondContact O-N 2.85Å; F457-V467 HydrophobicContact CE1-CG1 4.42Å; F457-V467 HydrophobicContact CE1-CG2 4.02Å; F457-V467 HydrophobicContact CZ-CG1 4.38Å; F457-V467 HydrophobicContact CZ-CG2 4.37Å; F457-H472 AromaticContact CD1-CE1 3.36Å; F457-H472 WeakPolarHBondContact CD1-CE1 3.05Å; F457-H472 AromaticContact CD1-NE2 3.79Å; F457-H472 AromaticContact CE1-CE1 3.35Å; F457-H472 WeakPolarHBondContact CE1-CE1 3.42Å; F457-H472 AromaticContact CE1-ND1 3.73Å; F457-H472 AromaticContact CE1-NE2 3.79Å; F457-Y491 HydrophobicContact CB-CD1 4.39Å; F457-Y491 HydrophobicContact CD1-CE1 4.45Å; F457-Y491 AromaticContact CD2-CD1 3.57Å; F457-Y491 HydrophobicContact CD2-CD1 3.57Å; F457-Y491 AromaticContact CD2-CE1 3.59Å; F457-Y491 HydrophobicContact CD2-CE1 3.59Å; F457-Y491 HydrophobicContact CE1-CE1 4.46Å; F457-Y491 HydrophobicContact CE2-CD1 4.01Å; F457-Y491 AromaticContact CE2-CE1 3.59Å; F457-Y491 HydrophobicContact CE2-CE1 3.59Å; F457-Y491 HydrophobicContact CG-CD1 4.03Å; F457-Y491 HydrophobicContact CG-CE1 4.04Å; F457-Y491 HydrophobicContact CZ-CE1 4.04Å
458	Y	97.6	Very high	97.1	Very high	125 Å²	125	31.8 Å²	31.8	49%	0.49	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	103.9	175.6	-160.8	-84.9	0	0	0	110.1	R464	Y458-R464 HydrophobicContact CD2-CB 4.48Å
459	D	95.3	Very high	97.1	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127.2	169.9	-175.8	-51.1	0	0	0	108.9	F457 K461 L462 G463 R465	F457-D459 HydrophobicContact CD2-CB 4.5Å; F457-D459 HydrophobicContact CE2-CB 3.95Å; D459-K461 PolarHBondContact O-N 2.83Å; D459-K461 VanDerWaalsContact O-N 3.13Å; D459-K461 PolarHBondContact OD1-N 2.72Å; D459-L462 HydrophobicContact CB-CB 4.03Å; D459-L462 PolarHBondContact O-N 2.6Å; D459-L462 PolarHBondContact OD1-N 2.89Å; D459-G463 WeakPolarHBondContact CB-O 3.33Å; D459-G463 PolarHBondContact N-O 3.15Å; D459-G463 WeakPolarHBondContact O-CA 3.25Å; D459-G463 PolarHBondContact O-N 3.42Å; D459-R465 HydrophobicContact CB-CG 4.11Å; D459-R465 IonicContact OD2-NH1 2.94Å
460	I	91.4	Very high	97.1	Very high	78 Å²	78	33.9 Å²	33.9	40%	0.4	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.2	-175.6	-57.3	169.8	0	0	0	112.1	W492	I460-W492 HydrophobicContact CD1-CB 3.53Å; I460-W492 HydrophobicContact CD1-CD2 3.88Å; I460-W492 HydrophobicContact CD1-CG 3.22Å; I460-W492 HydrophobicContact CG1-CG 4.17Å
461	K	91.9	Very high	97	Very high	97 Å²	97	34.3 Å²	34.3	42%	0.422	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-32.3	-174.5	-65.9	-70.3	165.5	168.9	0	112.2	D459 M607	D459-K461 PolarHBondContact O-N 2.83Å; D459-K461 VanDerWaalsContact O-N 3.13Å; D459-K461 PolarHBondContact OD1-N 2.72Å; K461-M607 HydrophobicContact CD-SD 4.39Å; K461-M607 WeakPolarHBondContact CE-O 3.29Å; K461-M607 WeakPolarHBondContact CE-SD 2.96Å; K461-M607 HydrophobicContact CG-SD 4.09Å; K461-M607 PolarHBondContact NZ-O 3.17Å
462	L	93.6	Very high	97	Very high	30 Å²	30	34.3 Å²	34.3	16%	0.157	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-6.4	-167.8	-55	175.8	0	0	0	113.3	D459 I512 V588	D459-L462 HydrophobicContact CB-CB 4.03Å; D459-L462 PolarHBondContact O-N 2.6Å; D459-L462 PolarHBondContact OD1-N 2.89Å; L462-I512 HydrophobicContact CB-CD1 4.27Å; L462-I512 HydrophobicContact CB-CG1 4.38Å; L462-I512 HydrophobicContact CD1-CG1 3.86Å; L462-I512 HydrophobicContact CD2-CD1 3.85Å; L462-I512 HydrophobicContact CD2-CG1 3.91Å; L462-I512 HydrophobicContact CG-CD1 4.43Å; L462-I512 HydrophobicContact CG-CG1 4.25Å; L462-V588 HydrophobicContact CD2-CB 4.32Å
463	G	95	Very high	97	Very high	16 Å²	16	34.6 Å²	34.6	17%	0.165	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.2	-157.2	178.6	0	0	0	0	0	112.9	D459 R465	D459-G463 WeakPolarHBondContact CB-O 3.33Å; D459-G463 PolarHBondContact N-O 3.15Å; D459-G463 WeakPolarHBondContact O-CA 3.25Å; D459-G463 PolarHBondContact O-N 3.42Å; G463-R465 PolarHBondContact O-N 2.7Å
464	R	97.4	Very high	97	Very high	101 Å²	101	35.4 Å²	35.4	38%	0.381	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	126.3	-177.5	-172.4	63.5	58.2	-172.8	2	110.7	D430 L437 C438 S456 F457 Y458	D430-R464 WeakPolarHBondContact OD2-CG 3.48Å; L437-R464 HydrophobicContact CD2-CG 4.27Å; C438-R464 PolarHBondContact O-NH1 3.33Å; C438-R464 PolarHBondContact O-NH2 2.93Å; S456-R464 PolarHBondContact O-NH1 3.36Å; S456-R464 WeakPolarHBondContact OG-CD 3.25Å; F457-R464 VanDerWaalsContact C-NH1 3.29Å; F457-R464 WeakPolarHBondContact O-CA 3.35Å; F457-R464 WeakPolarHBondContact O-CD 3.47Å; Y458-R464 HydrophobicContact CD2-CB 4.48Å
465	R	97.3	Very high	97	Very high	50 Å²	50	36.2 Å²	36.2	19%	0.189	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	165.8	178.6	68.5	-178.1	-60.4	177.2	5.7	112.8	S456 F457 D459 G463 G511	S456-R465 CarbonylContact C-O 3.58Å; S456-R465 WeakPolarHBondContact CA-O 3.49Å; F457-R465 WeakPolarHBondContact CD1-O 3.47Å; F457-R465 HydrophobicContact CE1-CG 4.12Å; F457-R465 HydrophobicContact CE2-CG 3.94Å; F457-R465 HydrophobicContact CZ-CG 3.7Å; F457-R465 PolarHBondContact N-O 2.83Å; F457-R465 PolarHBondContact O-N 2.85Å; D459-R465 HydrophobicContact CB-CG 4.11Å; D459-R465 IonicContact OD2-NH1 2.94Å; G463-R465 PolarHBondContact O-N 2.7Å; R465-G511 PolarHBondContact NH1-O 3.44Å; R465-G511 VanDerWaalsContact NH1-O 3.09Å; R465-G511 PolarHBondContact NH2-O 3.46Å
466	R	98	Very high	97	Very high	44 Å²	44	36.2 Å²	36.2	17%	0.166	17%	0.167	C	C	.	.			trans	-125.8	147.5	167.7	-175.7	179.3	68.3	73.3	1.5	108.8	S433 G434 D453 E468	S433-R466 PolarHBondContact O-NE 3.14Å; G434-R466 WeakPolarHBondContact O-CD 3.21Å; D453-R466 WeakPolarHBondContact O-CD 3.48Å; D453-R466 WeakPolarHBondContact O-CG 3.29Å; R466-E468 IonicContact CZ-OE1 3.67Å; R466-E468 IonicContact NH1-OE1 3.41Å; R466-E468 PolarHBondContact NH1-OE1 2.92Å; R466-E468 IonicContact NH2-OE1 3.54Å; R466-E468 PolarHBondContact NH2-OE1 3.06Å
467	V	97.9	Very high	97	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.055	17%	0.167	C	C	.	.			trans	-138.2	157.6	177.8	-56.9	0	0	0	0	111.1	F457 H469 H472	F457-V467 HydrophobicContact CE1-CG1 4.42Å; F457-V467 HydrophobicContact CE1-CG2 4.02Å; F457-V467 HydrophobicContact CZ-CG1 4.38Å; F457-V467 HydrophobicContact CZ-CG2 4.37Å; V467-H469 HydrophobicContact CG2-CB 4.24Å; V467-H472 HydrophobicContact CG2-CB 3.42Å; V467-H472 VanDerWaalsContact CG2-CB 3.42Å
468	E	97.7	Very high	97	Very high	79 Å²	79	41.5 Å²	41.5	37%	0.369	19%	0.187	S	C	.	.			trans	-115.5	53.7	-178.8	-67.6	165.9	-151	0	0	109.3	L415 R466	L415-E468 VanDerWaalsContact CB-CD 3.43Å; L415-E468 HydrophobicContact CB-CG 4.35Å; L415-E468 WeakPolarHBondContact CB-OE1 3.29Å; L415-E468 VanDerWaalsContact CB-OE2 3.29Å; L415-E468 WeakPolarHBondContact CB-OE2 3.44Å; L415-E468 HydrophobicContact CD2-CG 4.09Å; R466-E468 IonicContact CZ-OE1 3.67Å; R466-E468 IonicContact NH1-OE1 3.41Å; R466-E468 PolarHBondContact NH1-OE1 2.92Å; R466-E468 IonicContact NH2-OE1 3.54Å; R466-E468 PolarHBondContact NH2-OE1 3.06Å
469	H	98.2	Very high	97.1	Very high	30 Å²	30	36.3 Å²	36.3	14%	0.139	17%	0.168	C	C	.	.			trans	-111.9	135.2	-172	-57.9	172.2	0	0	0	110.9	V467 D471 H472 A473 S495 M496 F497	V467-H469 HydrophobicContact CG2-CB 4.24Å; H469-D471 VanDerWaalsContact C-N 3.3Å; H469-D471 PolarHBondContact O-N 2.88Å; H469-H472 HydrophobicContact CB-CB 3.93Å; H469-H472 PolarHBondContact O-N 3.07Å; H469-A473 PolarHBondContact O-N 3.44Å; H469-S495 WeakPolarHBondContact CB-OG 3.36Å; H469-S495 PolarHBondContact ND1-OG 2.81Å; H469-M496 WeakPolarHBondContact CB-O 3.32Å; H469-M496 PolarHBondContact ND1-O 3.33Å; H469-F497 AromaticContact CD2-CD2 3.76Å
470	H	98	Very high	97.3	Very high	24 Å²	24	36 Å²	36	11%	0.111	17%	0.166	C	C	.	.	H	α-helix	trans	-55.8	-46.9	171.1	176	-95	0	0	0	111.4	P198 H472 A473 V474 W498 S545	P198-H470 HydrophobicContact CG-CB 4.27Å; H470-H472 VanDerWaalsContact C-N 3.34Å; H470-H472 PolarHBondContact O-N 3.04Å; H470-A473 PolarHBondContact O-N 2.82Å; H470-A473 VanDerWaalsContact O-N 3.13Å; H470-V474 WeakPolarHBondContact O-CG2 3.37Å; H470-V474 PolarHBondContact O-N 2.82Å; H470-W498 HydrophobicContact CB-CH2 3.64Å; H470-W498 HydrophobicContact CB-CZ3 3.68Å; H470-W498 AromaticContact CG-CH2 3.67Å; H470-W498 AromaticContact ND1-CH2 3.53Å; H470-W498 AromaticContact ND1-CZ3 3.88Å; H470-S545 PolarHBondContact ND1-OG 2.58Å; H470-S545 VanDerWaalsContact ND1-OG 3.1Å
471	D	98	Very high	97.6	Very high	9 Å²	9	32.3 Å²	32.3	5%	0.048	15%	0.147	C	C	.	.	H	α-helix	trans	-56.1	-45.3	176.5	177.3	49.1	0	0	0	112.3	H469 A473 V474 V475 H493 S495 M496 R603	H469-D471 VanDerWaalsContact C-N 3.3Å; H469-D471 PolarHBondContact O-N 2.88Å; D471-A473 PolarHBondContact O-N 3.33Å; D471-V474 PolarHBondContact O-N 2.93Å; D471-V475 WeakPolarHBondContact O-CG2 3.41Å; D471-V475 PolarHBondContact O-N 3.34Å; D471-H493 VanDerWaalsContact CG-NE2 3.32Å; D471-H493 IonicContact OD1-CE1 2.65Å; D471-H493 IonicContact OD1-NE2 3.14Å; D471-H493 PolarHBondContact OD1-NE2 2.99Å; D471-H493 IonicContact OD2-CD2 3.44Å; D471-H493 IonicContact OD2-CE1 2.66Å; D471-H493 IonicContact OD2-NE2 3.63Å; D471-H493 PolarHBondContact OD2-NE2 3.34Å; D471-S495 WeakPolarHBondContact OD2-CA 3.36Å; D471-S495 PolarHBondContact OD2-OG 2.85Å; D471-M496 HydrophobicContact CB-CG 3.88Å; D471-M496 WeakPolarHBondContact CB-O 3.45Å; D471-M496 PolarHBondContact OD2-N 2.54Å; D471-R603 IonicContact OD2-NH2 2.65Å; D471-R603 PolarHBondContact OD2-NH2 3.32Å
472	H	98.4	Very high	98	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.6	-48	175.1	176.1	60.4	0	0	0	111.3	G452 F457 V467 H469 H470 V474 V475 S476 Y491 S495	G452-H472 PolarHBondContact O-NE2 3.15Å; F457-H472 AromaticContact CD1-CE1 3.36Å; F457-H472 WeakPolarHBondContact CD1-CE1 3.05Å; F457-H472 AromaticContact CD1-NE2 3.79Å; F457-H472 AromaticContact CE1-CE1 3.35Å; F457-H472 WeakPolarHBondContact CE1-CE1 3.42Å; F457-H472 AromaticContact CE1-ND1 3.73Å; F457-H472 AromaticContact CE1-NE2 3.79Å; V467-H472 HydrophobicContact CG2-CB 3.42Å; V467-H472 VanDerWaalsContact CG2-CB 3.42Å; H469-H472 HydrophobicContact CB-CB 3.93Å; H469-H472 PolarHBondContact O-N 3.07Å; H470-H472 VanDerWaalsContact C-N 3.34Å; H470-H472 PolarHBondContact O-N 3.04Å; H472-V474 VanDerWaalsContact C-N 3.33Å; H472-V474 PolarHBondContact O-N 3.41Å; H472-V475 PolarHBondContact O-N 3.14Å; H472-S476 WeakPolarHBondContact O-CB 3.12Å; H472-S476 PolarHBondContact O-N 3.28Å; H472-S476 PolarHBondContact O-OG 3.27Å; H472-Y491 AromaticContact CE1-CE1 3.93Å; H472-Y491 AromaticContact CE1-CZ 3.89Å; H472-Y491 AromaticContact ND1-CE1 3.78Å; H472-Y491 AromaticContact ND1-CZ 3.44Å; H472-Y491 PolarHBondContact ND1-OH 3.05Å; H472-S495 WeakPolarHBondContact CB-OG 3.49Å; H472-S495 PolarHBondContact N-OG 3.49Å; H472-S495 VanDerWaalsContact N-OG 3.15Å
473	A	98.7	Very high	98.2	Very high	7 Å²	7	28.1 Å²	28.1	6%	0.058	13%	0.128	C	C	.	.	H	α-helix	trans	-60.4	-42.5	-179.8	0	0	0	0	0	111.9	T166 A167 H469 H470 D471 G477	T166-A473 HydrophobicContact CG2-CB 3.93Å; A167-A473 VanDerWaalsContact CA-O 3.3Å; A167-A473 WeakPolarHBondContact CA-O 2.93Å; A167-A473 HydrophobicContact CB-CB 4.24Å; H469-A473 PolarHBondContact O-N 3.44Å; H470-A473 PolarHBondContact O-N 2.82Å; H470-A473 VanDerWaalsContact O-N 3.13Å; D471-A473 PolarHBondContact O-N 3.33Å; A473-G477 WeakPolarHBondContact O-CA 3.49Å; A473-G477 PolarHBondContact O-N 3.03Å
474	V	98.5	Very high	98.4	Very high	34 Å²	34	27.3 Å²	27.3	21%	0.206	12%	0.12	C	C	.	.	H	α-helix	trans	-62.8	-55	176.2	174.5	0	0	0	0	111.2	T166 S170 H470 D471 H472 R478	T166-V474 HydrophobicContact CG2-CB 4.49Å; T166-V474 HydrophobicContact CG2-CG2 3.43Å; T166-V474 VanDerWaalsContact CG2-CG2 3.43Å; S170-V474 WeakPolarHBondContact CB-O 3.4Å; S170-V474 WeakPolarHBondContact OG-CA 3.33Å; H470-V474 WeakPolarHBondContact O-CG2 3.37Å; H470-V474 PolarHBondContact O-N 2.82Å; D471-V474 PolarHBondContact O-N 2.93Å; H472-V474 VanDerWaalsContact C-N 3.33Å; H472-V474 PolarHBondContact O-N 3.41Å; V474-R478 WeakPolarHBondContact O-CB 3.42Å; V474-R478 PolarHBondContact O-N 3.48Å
475	V	98.4	Very high	98.4	Very high	18 Å²	18	24.2 Å²	24.2	11%	0.109	11%	0.113	C	C	.	.	H	α-helix	trans	-74.1	-40.2	-171.3	-177	0	0	0	0	112.1	D471 H472 L479 Y491 H493	D471-V475 WeakPolarHBondContact O-CG2 3.41Å; D471-V475 PolarHBondContact O-N 3.34Å; H472-V475 PolarHBondContact O-N 3.14Å; V475-L479 WeakPolarHBondContact O-CB 3.4Å; V475-L479 PolarHBondContact O-N 2.58Å; V475-Y491 HydrophobicContact CB-CE2 4.4Å; V475-Y491 HydrophobicContact CG1-CE2 4.03Å; V475-H493 HydrophobicContact CG1-CB 3.8Å
476	S	98.8	Very high	98.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.5	-39.2	175.4	65.6	0	0	0	0	111.6	L442 G452 H472 L479 A480	L442-S476 WeakPolarHBondContact CD1-O 3.4Å; G452-S476 PolarHBondContact N-OG 3.25Å; H472-S476 WeakPolarHBondContact O-CB 3.12Å; H472-S476 PolarHBondContact O-N 3.28Å; H472-S476 PolarHBondContact O-OG 3.27Å; S476-L479 PolarHBondContact O-N 2.96Å; S476-A480 VanDerWaalsContact O-CB 3.3Å; S476-A480 WeakPolarHBondContact O-CB 3.48Å; S476-A480 PolarHBondContact O-N 3.23Å
477	G	98.9	Very high	98.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.1	-50.9	174.4	0	0	0	0	0	111.4	A167 A171 A473 L479 A480 G481	A167-G477 WeakPolarHBondContact O-CA 3.43Å; A171-G477 WeakPolarHBondContact CA-O 3.42Å; A171-G477 WeakPolarHBondContact CB-O 3.48Å; A473-G477 WeakPolarHBondContact O-CA 3.49Å; A473-G477 PolarHBondContact O-N 3.03Å; G477-L479 PolarHBondContact O-N 3.46Å; G477-A480 PolarHBondContact O-N 2.9Å; G477-G481 PolarHBondContact O-N 3.41Å
478	R	98.9	Very high	98.4	Very high	114 Å²	114	32.6 Å²	32.6	43%	0.43	16%	0.163	S	C	.	.	H	α-helix	trans	-54.6	-51.9	174.7	178.8	173.4	68	-136.8	1.4	111.2	A174 V474 A480 G481 E482	A174-R478 HydrophobicContact CB-CB 4.36Å; A174-R478 HydrophobicContact CB-CG 3.87Å; A174-R478 WeakPolarHBondContact CB-O 3.29Å; V474-R478 WeakPolarHBondContact O-CB 3.42Å; V474-R478 PolarHBondContact O-N 3.48Å; R478-A480 PolarHBondContact O-N 3.3Å; R478-G481 PolarHBondContact O-N 3.06Å; R478-G481 VanDerWaalsContact O-N 3.16Å; R478-E482 HydrophobicContact CG-CG 4.49Å; R478-E482 WeakPolarHBondContact O-CG 3.43Å; R478-E482 PolarHBondContact O-N 3.47Å
479	L	98.8	Very high	98.4	Very high	16 Å²	16	33.4 Å²	33.4	8%	0.084	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-43.2	-179.4	-179.3	66.8	0	0	0	112.6	L442 V475 S476 G477 G481 E482 N483 K489 Y491	L442-L479 HydrophobicContact CD1-CB 4.27Å; L442-L479 HydrophobicContact CD1-CD2 3.96Å; L442-L479 HydrophobicContact CD1-CG 4.34Å; L442-L479 HydrophobicContact CG-CD2 4.28Å; V475-L479 WeakPolarHBondContact O-CB 3.4Å; V475-L479 PolarHBondContact O-N 2.58Å; S476-L479 PolarHBondContact O-N 2.96Å; G477-L479 PolarHBondContact O-N 3.46Å; L479-G481 VanDerWaalsContact C-N 3.3Å; L479-G481 PolarHBondContact O-N 3.26Å; L479-E482 WeakPolarHBondContact O-CB 3.14Å; L479-E482 PolarHBondContact O-N 3.42Å; L479-N483 WeakPolarHBondContact O-CB 3.29Å; L479-N483 PolarHBondContact O-N 3.31Å; L479-K489 HydrophobicContact CD1-CB 3.57Å; L479-K489 HydrophobicContact CD1-CD 4.38Å; L479-Y491 VanDerWaalsContact CD2-CB 3.49Å; L479-Y491 HydrophobicContact CD2-CD2 3.59Å; L479-Y491 HydrophobicContact CD2-CG 4.03Å
480	A	98.9	Very high	98.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.4	-44.6	176	0	0	0	0	0	110.6	L282 L442 W449 A451 S476 G477 R478 E482 N483 M484	L282-A480 HydrophobicContact CD1-CB 3.78Å; L442-A480 HydrophobicContact CD1-CB 4.46Å; W449-A480 HydrophobicContact CB-CB 4.07Å; W449-A480 HydrophobicContact CG-CB 4.43Å; A451-A480 HydrophobicContact CB-CB 4.3Å; S476-A480 VanDerWaalsContact O-CB 3.3Å; S476-A480 WeakPolarHBondContact O-CB 3.48Å; S476-A480 PolarHBondContact O-N 3.23Å; G477-A480 PolarHBondContact O-N 2.9Å; R478-A480 PolarHBondContact O-N 3.3Å; A480-E482 PolarHBondContact O-N 2.81Å; A480-N483 PolarHBondContact O-N 3.37Å; A480-M484 WeakPolarHBondContact O-CB 3.29Å; A480-M484 WeakPolarHBondContact O-CG 3.34Å; A480-M484 PolarHBondContact O-N 2.69Å
481	G	98.8	Very high	98.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.4	-45.4	173.2	0	0	0	0	0	113.1	I175 G477 R478 L479 N483 M484 V485	I175-G481 WeakPolarHBondContact CG1-O 3.26Å; G477-G481 PolarHBondContact O-N 3.41Å; R478-G481 PolarHBondContact O-N 3.06Å; R478-G481 VanDerWaalsContact O-N 3.16Å; L479-G481 VanDerWaalsContact C-N 3.3Å; L479-G481 PolarHBondContact O-N 3.26Å; G481-N483 VanDerWaalsContact C-N 3.32Å; G481-N483 PolarHBondContact O-N 2.97Å; G481-M484 WeakPolarHBondContact O-CB 3.43Å; G481-M484 PolarHBondContact O-N 3.43Å; G481-V485 WeakPolarHBondContact O-CG2 3.44Å; G481-V485 PolarHBondContact O-N 3.03Å
482	E	98.8	Very high	98.3	Very high	35 Å²	35	41 Å²	41	16%	0.164	20%	0.198	C	C	.	.	H	α-helix	trans	-59.5	-41.4	174	-65.2	-175.2	-161.7	0	0	112.3	A174 L178 R478 L479 A480 V485 G486 K487 K489	A174-E482 HydrophobicContact CB-CG 4.33Å; L178-E482 HydrophobicContact CD1-CB 4.05Å; L178-E482 HydrophobicContact CD1-CG 3.74Å; R478-E482 HydrophobicContact CG-CG 4.49Å; R478-E482 WeakPolarHBondContact O-CG 3.43Å; R478-E482 PolarHBondContact O-N 3.47Å; L479-E482 WeakPolarHBondContact O-CB 3.14Å; L479-E482 PolarHBondContact O-N 3.42Å; A480-E482 PolarHBondContact O-N 2.81Å; E482-V485 WeakPolarHBondContact O-CG2 3.41Å; E482-V485 PolarHBondContact O-N 3.2Å; E482-G486 PolarHBondContact O-N 3.05Å; E482-K487 HydrophobicContact CB-CB 4.13Å; E482-K487 HydrophobicContact CB-CG 3.99Å; E482-K487 VanDerWaalsContact O-CB 3.28Å; E482-K487 WeakPolarHBondContact O-CB 3.45Å; E482-K487 VanDerWaalsContact O-CG 3.23Å; E482-K487 WeakPolarHBondContact O-CG 3.38Å; E482-K487 PolarHBondContact O-N 2.74Å; E482-K489 WeakPolarHBondContact OE2-CD 3.4Å; E482-K489 IonicContact OE2-NZ 3.54Å; E482-K489 PolarHBondContact OE2-NZ 3.42Å
483	N	98.8	Very high	98.3	Very high	4 Å²	4	43 Å²	43	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-72	-31.6	178.8	-71	-15.1	0	0	0	112.1	E441 W449 L479 A480 G481 V485 G486 Q488 K489	E441-N483 PolarHBondContact O-ND2 3.01Å; W449-N483 HydrophobicContact CZ2-CB 4.29Å; L479-N483 WeakPolarHBondContact O-CB 3.29Å; L479-N483 PolarHBondContact O-N 3.31Å; A480-N483 PolarHBondContact O-N 3.37Å; G481-N483 VanDerWaalsContact C-N 3.32Å; G481-N483 PolarHBondContact O-N 2.97Å; N483-V485 VanDerWaalsContact C-N 3.27Å; N483-V485 PolarHBondContact O-N 2.66Å; N483-G486 WeakPolarHBondContact O-CA 3.3Å; N483-G486 PolarHBondContact O-N 3Å; N483-Q488 PolarHBondContact OD1-N 2.72Å; N483-Q488 VanDerWaalsContact OD1-N 3.17Å; N483-K489 PolarHBondContact ND2-O 2.93Å; N483-K489 PolarHBondContact OD1-N 3.14Å; N483-K489 PolarHBondContact OD1-O 3.48Å
484	M	98.8	Very high	98.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.4	-30.7	171	-71.5	167.1	74.7	0	0	111.9	Y159 L161 I175 K280 L282 W449 A480 G481 G486	Y159-M484 HydrophobicContact CD1-CB 4.26Å; Y159-M484 HydrophobicContact CD1-CE 3.92Å; Y159-M484 HydrophobicContact CE1-CB 4.23Å; L161-M484 HydrophobicContact CD2-CE 3.62Å; L161-M484 HydrophobicContact CD2-SD 4.16Å; I175-M484 HydrophobicContact CD1-CB 4.43Å; I175-M484 HydrophobicContact CD1-CE 4.01Å; I175-M484 HydrophobicContact CD1-SD 4.12Å; I175-M484 HydrophobicContact CG1-CB 4.5Å; K280-M484 HydrophobicContact CB-CE 3.91Å; K280-M484 HydrophobicContact CB-CG 4.39Å; K280-M484 HydrophobicContact CD-CB 4.17Å; K280-M484 WeakPolarHBondContact CD-O 3.44Å; K280-M484 VanDerWaalsContact CE-O 3.29Å; K280-M484 WeakPolarHBondContact CE-O 3.45Å; K280-M484 PolarHBondContact NZ-O 3.04Å; L282-M484 HydrophobicContact CB-CE 4.27Å; L282-M484 HydrophobicContact CB-SD 3.91Å; W449-M484 HydrophobicContact CD2-CG 3.69Å; W449-M484 HydrophobicContact CE3-CG 3.35Å; W449-M484 HydrophobicContact CE3-SD 4.33Å; W449-M484 HydrophobicContact CG-CG 4.31Å; W449-M484 HydrophobicContact CH2-CG 4.29Å; W449-M484 HydrophobicContact CZ3-CB 4.44Å; W449-M484 HydrophobicContact CZ3-CG 3.66Å; A480-M484 WeakPolarHBondContact O-CB 3.29Å; A480-M484 WeakPolarHBondContact O-CG 3.34Å; A480-M484 PolarHBondContact O-N 2.69Å; G481-M484 WeakPolarHBondContact O-CB 3.43Å; G481-M484 PolarHBondContact O-N 3.43Å; M484-G486 VanDerWaalsContact C-N 3.28Å; M484-G486 PolarHBondContact O-N 3.23Å
485	V	98.4	Very high	98.1	Very high	36 Å²	36	42.1 Å²	42.1	22%	0.218	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	12.2	169.5	-71.2	0	0	0	0	113.5	Y159 I175 L178 D179 G481 E482 N483 K487	Y159-V485 HydrophobicContact CE1-CG1 4.29Å; Y159-V485 WeakPolarHBondContact OH-CG1 3.3Å; I175-V485 HydrophobicContact CG2-CG1 4.11Å; L178-V485 HydrophobicContact CB-CG2 3.75Å; L178-V485 HydrophobicContact CD1-CG2 3.46Å; L178-V485 VanDerWaalsContact CD1-CG2 3.46Å; L178-V485 HydrophobicContact CG-CG2 4.26Å; D179-V485 HydrophobicContact CB-CG1 3.9Å; G481-V485 WeakPolarHBondContact O-CG2 3.44Å; G481-V485 PolarHBondContact O-N 3.03Å; E482-V485 WeakPolarHBondContact O-CG2 3.41Å; E482-V485 PolarHBondContact O-N 3.2Å; N483-V485 VanDerWaalsContact C-N 3.27Å; N483-V485 PolarHBondContact O-N 2.66Å; V485-K487 HydrophobicContact CG2-CG 4.49Å
486	G	97.7	Very high	98	Very high	37 Å²	37	41.3 Å²	41.3	38%	0.381	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	18.5	169.1	0	0	0	0	0	115.8	E482 N483 M484 Q488	E482-G486 PolarHBondContact O-N 3.05Å; N483-G486 WeakPolarHBondContact O-CA 3.3Å; N483-G486 PolarHBondContact O-N 3Å; M484-G486 VanDerWaalsContact C-N 3.28Å; M484-G486 PolarHBondContact O-N 3.23Å; G486-Q488 PolarHBondContact O-N 2.87Å
487	K	98	Very high	98	Very high	104 Å²	104	43.4 Å²	43.4	45%	0.452	20%	0.204	S	C	.	.			trans	-71.6	-22.4	178.9	-64	-60.1	-176.9	-173.1	0	115	L178 E482 V485 K489	L178-K487 HydrophobicContact CD1-CG 4.03Å; E482-K487 HydrophobicContact CB-CB 4.13Å; E482-K487 HydrophobicContact CB-CG 3.99Å; E482-K487 VanDerWaalsContact O-CB 3.28Å; E482-K487 WeakPolarHBondContact O-CB 3.45Å; E482-K487 VanDerWaalsContact O-CG 3.23Å; E482-K487 WeakPolarHBondContact O-CG 3.38Å; E482-K487 PolarHBondContact O-N 2.74Å; V485-K487 HydrophobicContact CG2-CG 4.49Å; K487-K489 VanDerWaalsContact C-N 3.29Å; K487-K489 HydrophobicContact CB-CD 4.28Å; K487-K489 HydrophobicContact CB-CG 4.16Å; K487-K489 PolarHBondContact O-N 2.94Å
488	Q	96.6	Very high	97.9	Very high	137 Å²	137	44 Å²	44	64%	0.64	21%	0.207	S	C	*	.			trans	51.1	43.4	175.5	-58	175.5	23.1	0	0	113.8	N483 G486	N483-Q488 PolarHBondContact OD1-N 2.72Å; N483-Q488 VanDerWaalsContact OD1-N 3.17Å; G486-Q488 PolarHBondContact O-N 2.87Å
489	K	98.2	Very high	97.8	Very high	96 Å²	96	38.6 Å²	38.6	42%	0.417	19%	0.186	S	C	.	.			trans	-96.8	139.8	-178.1	-71	178.1	-173.3	173.7	0	111.3	L479 E482 N483 K487	L479-K489 HydrophobicContact CD1-CB 3.57Å; L479-K489 HydrophobicContact CD1-CD 4.38Å; E482-K489 WeakPolarHBondContact OE2-CD 3.4Å; E482-K489 IonicContact OE2-NZ 3.54Å; E482-K489 PolarHBondContact OE2-NZ 3.42Å; N483-K489 PolarHBondContact ND2-O 2.93Å; N483-K489 PolarHBondContact OD1-N 3.14Å; N483-K489 PolarHBondContact OD1-O 3.48Å; K487-K489 VanDerWaalsContact C-N 3.29Å; K487-K489 HydrophobicContact CB-CD 4.28Å; K487-K489 HydrophobicContact CB-CG 4.16Å; K487-K489 PolarHBondContact O-N 2.94Å
490	P	98.1	Very high	97.6	Very high	45 Å²	45	37.9 Å²	37.9	29%	0.292	18%	0.183	S	C	.	.			trans	-79.3	152.9	175.7	33.6	-36.3	0	0	0	112.9	A440 W492	A440-P490 HydrophobicContact CB-CB 4.19Å; A440-P490 CarbonylContact O-C 2.84Å; A440-P490 WeakPolarHBondContact O-CA 3.4Å; P490-W492 HydrophobicContact CB-CD2 4.49Å; P490-W492 HydrophobicContact CB-CG 4.44Å; P490-W492 HydrophobicContact CB-CZ2 4.42Å; P490-W492 HydrophobicContact CG-CD2 3.82Å; P490-W492 HydrophobicContact CG-CE3 4.45Å; P490-W492 HydrophobicContact CG-CG 4.21Å; P490-W492 HydrophobicContact CG-CH2 4.24Å; P490-W492 HydrophobicContact CG-CZ2 3.58Å; P490-W492 PolarHBondContact O-N 3.2Å
491	Y	98.3	Very high	97.3	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.027	19%	0.19	C	C	.	.			trans	-83.6	94.5	174.5	-170.7	-110.2	0	0	0	110.4	A440 L442 F457 H472 V475 L479 H493	A440-Y491 PolarHBondContact O-N 2.79Å; L442-Y491 HydrophobicContact CD1-CD2 4.1Å; L442-Y491 HydrophobicContact CD1-CG 4.29Å; L442-Y491 HydrophobicContact CD2-CD1 4.25Å; L442-Y491 HydrophobicContact CD2-CG 3.92Å; L442-Y491 HydrophobicContact CG-CG 4.34Å; F457-Y491 HydrophobicContact CB-CD1 4.39Å; F457-Y491 HydrophobicContact CD1-CE1 4.45Å; F457-Y491 AromaticContact CD2-CD1 3.57Å; F457-Y491 HydrophobicContact CD2-CD1 3.57Å; F457-Y491 AromaticContact CD2-CE1 3.59Å; F457-Y491 HydrophobicContact CD2-CE1 3.59Å; F457-Y491 HydrophobicContact CE1-CE1 4.46Å; F457-Y491 HydrophobicContact CE2-CD1 4.01Å; F457-Y491 AromaticContact CE2-CE1 3.59Å; F457-Y491 HydrophobicContact CE2-CE1 3.59Å; F457-Y491 HydrophobicContact CG-CD1 4.03Å; F457-Y491 HydrophobicContact CG-CE1 4.04Å; F457-Y491 HydrophobicContact CZ-CE1 4.04Å; H472-Y491 AromaticContact CE1-CE1 3.93Å; H472-Y491 AromaticContact CE1-CZ 3.89Å; H472-Y491 AromaticContact ND1-CE1 3.78Å; H472-Y491 AromaticContact ND1-CZ 3.44Å; H472-Y491 PolarHBondContact ND1-OH 3.05Å; V475-Y491 HydrophobicContact CB-CE2 4.4Å; V475-Y491 HydrophobicContact CG1-CE2 4.03Å; L479-Y491 VanDerWaalsContact CD2-CB 3.49Å; L479-Y491 HydrophobicContact CD2-CD2 3.59Å; L479-Y491 HydrophobicContact CD2-CG 4.03Å; Y491-H493 HydrophobicContact CD2-CB 4.28Å; Y491-H493 HydrophobicContact CE1-CB 4.41Å; Y491-H493 HydrophobicContact CE2-CB 3.68Å
492	W	96	Very high	96.9	Very high	171 Å²	171	39.6 Å²	39.6	65%	0.648	19%	0.193	S	C	*	.			trans	-105.6	5.4	-179.4	-71	-6.6	0	0	0	114.1	I460 P490	I460-W492 HydrophobicContact CD1-CB 3.53Å; I460-W492 HydrophobicContact CD1-CD2 3.88Å; I460-W492 HydrophobicContact CD1-CG 3.22Å; I460-W492 HydrophobicContact CG1-CG 4.17Å; P490-W492 HydrophobicContact CB-CD2 4.49Å; P490-W492 HydrophobicContact CB-CG 4.44Å; P490-W492 HydrophobicContact CB-CZ2 4.42Å; P490-W492 HydrophobicContact CG-CD2 3.82Å; P490-W492 HydrophobicContact CG-CE3 4.45Å; P490-W492 HydrophobicContact CG-CG 4.21Å; P490-W492 HydrophobicContact CG-CH2 4.24Å; P490-W492 HydrophobicContact CG-CZ2 3.58Å; P490-W492 PolarHBondContact O-N 3.2Å
493	H	97	Very high	96.5	Very high	42 Å²	42	39.2 Å²	39.2	19%	0.194	19%	0.193	C	C	.	.			trans	-71.3	134	-176.6	-172.4	64.3	0	0	0	111.7	D471 V475 Y491 R603	D471-H493 VanDerWaalsContact CG-NE2 3.32Å; D471-H493 IonicContact OD1-CE1 2.65Å; D471-H493 IonicContact OD1-NE2 3.14Å; D471-H493 PolarHBondContact OD1-NE2 2.99Å; D471-H493 IonicContact OD2-CD2 3.44Å; D471-H493 IonicContact OD2-CE1 2.66Å; D471-H493 IonicContact OD2-NE2 3.63Å; D471-H493 PolarHBondContact OD2-NE2 3.34Å; V475-H493 HydrophobicContact CG1-CB 3.8Å; Y491-H493 HydrophobicContact CD2-CB 4.28Å; Y491-H493 HydrophobicContact CE1-CB 4.41Å; Y491-H493 HydrophobicContact CE2-CB 3.68Å; H493-R603 PolarHBondContact CE1-NH2 2.81Å
494	Q	96	Very high	96.1	Very high	14 Å²	14	42 Å²	42	7%	0.065	21%	0.206	C	C	.	.			trans	-95.8	100.2	170.3	-64.9	-177.9	-60.3	0	0	108.7	M496 I510 R603 M607	Q494-M496 PolarHBondContact O-N 3.47Å; Q494-I510 HydrophobicContact CB-CD1 3.93Å; Q494-R603 HydrophobicContact CB-CG 4.27Å; Q494-R603 PolarHBondContact O-NE 2.74Å; Q494-R603 PolarHBondContact OE1-O 2.79Å; Q494-M607 HydrophobicContact CG-CE 4.03Å
495	S	97.3	Very high	95.8	Very high	9 Å²	9	43.1 Å²	43.1	6%	0.063	21%	0.213	C	C	.	.			trans	-68.6	131.5	-173	179.9	0	0	0	0	112.5	H469 D471 H472	H469-S495 WeakPolarHBondContact CB-OG 3.36Å; H469-S495 PolarHBondContact ND1-OG 2.81Å; D471-S495 WeakPolarHBondContact OD2-CA 3.36Å; D471-S495 PolarHBondContact OD2-OG 2.85Å; H472-S495 WeakPolarHBondContact CB-OG 3.49Å; H472-S495 PolarHBondContact N-OG 3.49Å; H472-S495 VanDerWaalsContact N-OG 3.15Å
496	M	97.7	Very high	95.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	159.3	170.8	69.5	168.8	-73.3	0	0	112.1	H469 D471 Q494 W498 E508 A509 R544 E548 M599	H469-M496 WeakPolarHBondContact CB-O 3.32Å; H469-M496 PolarHBondContact ND1-O 3.33Å; D471-M496 HydrophobicContact CB-CG 3.88Å; D471-M496 WeakPolarHBondContact CB-O 3.45Å; D471-M496 PolarHBondContact OD2-N 2.54Å; Q494-M496 PolarHBondContact O-N 3.47Å; M496-W498 HydrophobicContact CE-CB 4.38Å; M496-E508 HydrophobicContact CE-CG 4.32Å; M496-A509 CarbonylContact C-O 3.52Å; M496-A509 WeakPolarHBondContact CA-O 3.26Å; M496-R544 HydrophobicContact CE-CB 4.36Å; M496-R544 HydrophobicContact CE-CG 4.02Å; M496-E548 HydrophobicContact CE-CB 4.44Å; M496-E548 HydrophobicContact CE-CG 3.91Å; M496-E548 HydrophobicContact SD-CB 3.73Å; M496-E548 HydrophobicContact SD-CG 3.85Å; M496-M599 HydrophobicContact CB-CE 3.98Å; M496-M599 HydrophobicContact CB-CG 3.92Å; M496-M599 HydrophobicContact CB-SD 3.83Å; M496-M599 HydrophobicContact CE-CE 4.15Å; M496-M599 HydrophobicContact CG-CG 4.44Å; M496-M599 HydrophobicContact SD-CB 4.46Å; M496-M599 HydrophobicContact SD-CG 3.91Å
497	F	97.7	Very high	95.4	Very high	43 Å²	43	40.1 Å²	40.1	19%	0.189	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151	170.8	171.4	-93.3	0	0	0	109	F335 H469 E508 A509	F335-F497 HydrophobicContact CB-CE1 4.14Å; F335-F497 HydrophobicContact CB-CZ 3.67Å; F335-F497 AromaticContact CD1-CE1 3.84Å; F335-F497 HydrophobicContact CD1-CE1 3.84Å; F335-F497 HydrophobicContact CD1-CZ 4.24Å; F335-F497 HydrophobicContact CD2-CD1 4.27Å; F335-F497 AromaticContact CD2-CE1 3.3Å; F335-F497 HydrophobicContact CD2-CE1 3.3Å; F335-F497 AromaticContact CD2-CZ 3.51Å; F335-F497 HydrophobicContact CD2-CZ 3.51Å; F335-F497 AromaticContact CE1-CE1 3.99Å; F335-F497 HydrophobicContact CE1-CE1 3.99Å; F335-F497 HydrophobicContact CE2-CD1 4.09Å; F335-F497 AromaticContact CE2-CE1 3.47Å; F335-F497 HydrophobicContact CE2-CE1 3.47Å; F335-F497 VanDerWaalsContact CE2-CE1 3.47Å; F335-F497 HydrophobicContact CE2-CZ 4.16Å; F335-F497 AromaticContact CG-CE1 3.49Å; F335-F497 HydrophobicContact CG-CE1 3.49Å; F335-F497 VanDerWaalsContact CG-CE1 3.49Å; F335-F497 AromaticContact CG-CZ 3.55Å; F335-F497 HydrophobicContact CG-CZ 3.55Å; F335-F497 HydrophobicContact CZ-CD1 4.41Å; F335-F497 AromaticContact CZ-CE1 3.81Å; F335-F497 HydrophobicContact CZ-CE1 3.81Å; H469-F497 AromaticContact CD2-CD2 3.76Å; F497-E508 CarbonylContact O-C 3.52Å; F497-E508 VanDerWaalsContact O-CA 3.25Å; F497-E508 WeakPolarHBondContact O-CA 3.41Å; F497-A509 HydrophobicContact CB-CB 4.34Å; F497-A509 HydrophobicContact CD1-CB 4.25Å; F497-A509 PolarHBondContact N-O 3.01Å; F497-A509 PolarHBondContact O-N 3.12Å
498	W	97.6	Very high	95.4	Very high	13 Å²	13	35.2 Å²	35.2	5%	0.049	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.4	167.3	82	101.2	0	0	0	112	P198 H470 M496 F507 E508 V543 R544 S545	P198-W498 HydrophobicContact CB-CZ2 3.89Å; P198-W498 HydrophobicContact CG-CH2 3.97Å; P198-W498 HydrophobicContact CG-CZ2 3.8Å; H470-W498 HydrophobicContact CB-CH2 3.64Å; H470-W498 HydrophobicContact CB-CZ3 3.68Å; H470-W498 AromaticContact CG-CH2 3.67Å; H470-W498 AromaticContact ND1-CH2 3.53Å; H470-W498 AromaticContact ND1-CZ3 3.88Å; M496-W498 HydrophobicContact CE-CB 4.38Å; W498-F507 CarbonylContact C-O 3.56Å; W498-F507 WeakPolarHBondContact CA-O 3.26Å; W498-F507 WeakPolarHBondContact CB-O 3.44Å; W498-E508 HydrophobicContact CB-CG 4.11Å; W498-V543 HydrophobicContact CH2-CG1 3.68Å; W498-V543 HydrophobicContact CZ2-CG1 4.01Å; W498-R544 HydrophobicContact CB-CB 3.78Å; W498-R544 HydrophobicContact CB-CG 4Å; W498-R544 HydrophobicContact CD2-CB 3.42Å; W498-R544 VanDerWaalsContact CD2-CB 3.42Å; W498-R544 HydrophobicContact CE3-CB 3.95Å; W498-R544 HydrophobicContact CG-CB 3.29Å; W498-R544 HydrophobicContact CG-CG 4.05Å; W498-S545 WeakPolarHBondContact CZ3-OG 3.36Å
499	S	96.6	Very high	95.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	130.7	174.8	-178.5	0	0	0	0	109.6	F335 E339 G506 F507	F335-S499 WeakPolarHBondContact CD1-OG 3.35Å; E339-S499 WeakPolarHBondContact CG-OG 3.06Å; E339-S499 WeakPolarHBondContact OE1-CA 3.46Å; E339-S499 VanDerWaalsContact OE1-CB 3.29Å; E339-S499 WeakPolarHBondContact OE1-CB 3.39Å; E339-S499 PolarHBondContact OE1-OG 2.65Å; S499-G506 WeakPolarHBondContact O-CA 3.45Å; S499-F507 PolarHBondContact N-O 2.8Å; S499-F507 PolarHBondContact O-N 3.08Å
500	D	94	Very high	95.4	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.011	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.6	175	-68.7	-16.3	0	0	0	108.4	K202 W221 G502 V505 P532 R544	K202-D500 HydrophobicContact CD-CB 4.21Å; W221-D500 HydrophobicContact CZ2-CB 4.42Å; W221-D500 PolarHBondContact NE1-OD2 3.01Å; D500-G502 VanDerWaalsContact C-N 3.27Å; D500-G502 PolarHBondContact O-N 2.97Å; D500-V505 CarbonylContact C-O 3.53Å; D500-V505 WeakPolarHBondContact CA-O 3.4Å; D500-P532 HydrophobicContact CB-CG 4.45Å; D500-R544 VanDerWaalsContact CG-NH2 3.32Å; D500-R544 IonicContact OD1-CZ 3.63Å; D500-R544 IonicContact OD1-NH2 2.7Å; D500-R544 PolarHBondContact OD1-NH2 3.17Å; D500-R544 IonicContact OD2-NH2 3.85Å; D500-R544 PolarHBondContact OD2-NH2 3.31Å; D500-R544 VanDerWaalsContact OD2-NH2 3.12Å
501	L	91.8	Very high	95.4	Very high	31 Å²	31	22.5 Å²	22.5	16%	0.162	11%	0.105	C	C	.	.	S	Bend	trans	-91.9	66.3	173.8	-56.4	-174.2	0	0	0	108.8	T338 E339 V505 F507	T338-L501 HydrophobicContact CG2-CD1 3.78Å; T338-L501 HydrophobicContact CG2-CD2 3.8Å; T338-L501 HydrophobicContact CG2-CG 4.47Å; E339-L501 HydrophobicContact CG-CD2 3.84Å; L501-V505 HydrophobicContact CB-CB 4.2Å; L501-V505 HydrophobicContact CB-CG1 4.34Å; L501-V505 HydrophobicContact CD1-CG1 4.41Å; L501-V505 PolarHBondContact N-O 2.83Å; L501-F507 HydrophobicContact CD1-CE2 3.87Å; L501-F507 HydrophobicContact CG-CE2 4.32Å
502	G	90.7	Very high	95.3	Very high	5 Å²	5	23.6 Å²	23.6	5%	0.052	11%	0.112	C	C	.	.	S	Bend	trans	75.5	-167.1	-167.8	0	0	0	0	0	112.7	D500 E504	D500-G502 VanDerWaalsContact C-N 3.27Å; D500-G502 PolarHBondContact O-N 2.97Å; G502-E504 VanDerWaalsContact C-N 3.35Å; G502-E504 PolarHBondContact O-N 2.6Å
503	P	91.7	Very high	95.4	Very high	26 Å²	26	17.1 Å²	17.1	17%	0.169	9%	0.091	C	C	.	.	S	Bend	trans	-73.8	-16.1	-168.3	25.2	-32.9	0	0	0	115.6	W221 P532 K533	W221-P503 HydrophobicContact CD2-CB 4.06Å; W221-P503 HydrophobicContact CE3-CB 3.83Å; W221-P503 HydrophobicContact CE3-CG 4.46Å; W221-P503 HydrophobicContact CG-CB 4.45Å; W221-P503 HydrophobicContact CZ3-CB 4.3Å; P503-P532 VanDerWaalsContact O-CD 3.29Å; P503-P532 WeakPolarHBondContact O-CD 3.47Å; P503-K533 HydrophobicContact CB-CB 3.92Å; P503-K533 HydrophobicContact CB-CD 4.15Å; P503-K533 VanDerWaalsContact O-CB 3.3Å; P503-K533 WeakPolarHBondContact O-CB 3.33Å; P503-K533 PolarHBondContact O-N 2.99Å
504	E	90.8	Very high	95.3	Very high	63 Å²	63	18.5 Å²	18.5	29%	0.294	10%	0.099	S	C	.	.	S	Bend	trans	-109.3	-14.6	-169.6	-49.8	-58	142.5	0	0	114.9	I6 G502 T531 P532 N594	I6-E504 HydrophobicContact CD1-CB 3.67Å; I6-E504 HydrophobicContact CD1-CG 3.04Å; I6-E504 HydrophobicContact CG1-CG 4.38Å; G502-E504 VanDerWaalsContact C-N 3.35Å; G502-E504 PolarHBondContact O-N 2.6Å; E504-T531 HydrophobicContact CB-CG2 4.44Å; E504-T531 WeakPolarHBondContact OE2-CG2 3.35Å; E504-P532 VanDerWaalsContact C-CD 3.48Å; E504-N594 PolarHBondContact O-ND2 3.46Å
505	V	91.1	Very high	95.2	Very high	24 Å²	24	19.8 Å²	19.8	15%	0.145	11%	0.11	C	C	.	.			trans	-126.6	114.3	-175.9	178.7	0	0	0	0	109.5	D500 L501 F507	D500-V505 CarbonylContact C-O 3.53Å; D500-V505 WeakPolarHBondContact CA-O 3.4Å; L501-V505 HydrophobicContact CB-CB 4.2Å; L501-V505 HydrophobicContact CB-CG1 4.34Å; L501-V505 HydrophobicContact CD1-CG1 4.41Å; L501-V505 PolarHBondContact N-O 2.83Å; V505-F507 HydrophobicContact CG1-CD2 4.32Å; V505-F507 HydrophobicContact CG1-CE2 3.57Å; V505-F507 HydrophobicContact CG1-CZ 4.03Å
506	G	92.3	Very high	95.1	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	-120.5	141.3	176.7	0	0	0	0	0	112	S499 N594	S499-G506 WeakPolarHBondContact O-CA 3.45Å; G506-N594 PolarHBondContact N-OD1 3.07Å; G506-N594 PolarHBondContact O-N 3.26Å; G506-N594 PolarHBondContact O-OD1 3.14Å
507	F	95.7	Very high	95	Very high	10 Å²	10	25.3 Å²	25.3	4%	0.044	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	141	169.1	-63.2	-85.1	0	0	0	109.9	F335 L365 L369 W498 S499 L501 V505 V591 L592 W593	F335-F507 HydrophobicContact CE1-CB 4.03Å; F335-F507 HydrophobicContact CE1-CD2 4.34Å; F335-F507 HydrophobicContact CE1-CG 4.24Å; L365-F507 HydrophobicContact CD1-CE2 4.32Å; L369-F507 HydrophobicContact CD1-CE1 4.12Å; L369-F507 HydrophobicContact CD1-CZ 4.32Å; L369-F507 HydrophobicContact CD2-CE1 4.42Å; W498-F507 CarbonylContact C-O 3.56Å; W498-F507 WeakPolarHBondContact CA-O 3.26Å; W498-F507 WeakPolarHBondContact CB-O 3.44Å; S499-F507 PolarHBondContact N-O 2.8Å; S499-F507 PolarHBondContact O-N 3.08Å; L501-F507 HydrophobicContact CD1-CE2 3.87Å; L501-F507 HydrophobicContact CG-CE2 4.32Å; V505-F507 HydrophobicContact CG1-CD2 4.32Å; V505-F507 HydrophobicContact CG1-CE2 3.57Å; V505-F507 HydrophobicContact CG1-CZ 4.03Å; F507-V591 HydrophobicContact CD1-CG1 4.31Å; F507-L592 CarbonylContact C-O 3.56Å; F507-L592 VanDerWaalsContact CA-O 3.28Å; F507-L592 WeakPolarHBondContact CA-O 3.43Å; F507-W593 HydrophobicContact CD1-CB 3.98Å; F507-W593 HydrophobicContact CD1-CG 4.26Å; F507-W593 HydrophobicContact CE1-CB 3.85Å; F507-W593 AromaticContact CE1-CD1 3.52Å; F507-W593 AromaticContact CE1-CG 3.72Å; F507-W593 HydrophobicContact CE1-CG 3.72Å; F507-W593 AromaticContact CZ-CD1 3.8Å; F507-W593 HydrophobicContact CZ-CG 4.36Å
508	E	97.6	Very high	95	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.2	164.8	-55.4	-180	-174	0	0	109.8	M496 F497 W498 R544 V591 L592 F596 M599	M496-E508 HydrophobicContact CE-CG 4.32Å; F497-E508 CarbonylContact O-C 3.52Å; F497-E508 VanDerWaalsContact O-CA 3.25Å; F497-E508 WeakPolarHBondContact O-CA 3.41Å; W498-E508 HydrophobicContact CB-CG 4.11Å; E508-R544 HydrophobicContact CG-CG 4.18Å; E508-R544 WeakPolarHBondContact OE1-CD 3.3Å; E508-R544 WeakPolarHBondContact OE1-CG 3.38Å; E508-R544 IonicContact OE1-CZ 3.03Å; E508-R544 IonicContact OE1-NH1 2.99Å; E508-R544 PolarHBondContact OE1-NH1 3.47Å; E508-R544 VanDerWaalsContact OE1-NH1 3.09Å; E508-V591 CarbonylContact O-C 3.53Å; E508-V591 VanDerWaalsContact O-CA 3.31Å; E508-V591 WeakPolarHBondContact O-CA 3.35Å; E508-L592 HydrophobicContact CB-CB 4.2Å; E508-L592 PolarHBondContact N-O 2.84Å; E508-L592 PolarHBondContact O-N 3.18Å; E508-F596 WeakPolarHBondContact OE1-CD1 3.31Å; E508-M599 HydrophobicContact CB-CE 3.58Å; E508-M599 VanDerWaalsContact OE2-CE 3.31Å; E508-M599 WeakPolarHBondContact OE2-CE 3.48Å
509	A	98	Very high	94.9	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.033	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146.2	-178.4	0	0	0	0	0	111.7	M496 F497 V513 V590 V591	M496-A509 CarbonylContact C-O 3.52Å; M496-A509 WeakPolarHBondContact CA-O 3.26Å; F497-A509 HydrophobicContact CB-CB 4.34Å; F497-A509 HydrophobicContact CD1-CB 4.25Å; F497-A509 PolarHBondContact N-O 3.01Å; F497-A509 PolarHBondContact O-N 3.12Å; A509-V513 HydrophobicContact CB-CG1 4.34Å; A509-V513 HydrophobicContact CB-CG2 4.22Å; A509-V590 WeakPolarHBondContact CA-O 3.4Å; A509-V591 HydrophobicContact CB-CG2 4.05Å
510	I	97.9	Very high	94.8	Very high	2 Å²	2	31 Å²	31	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	147.5	175.3	-173.3	165.6	0	0	0	110.9	Q494 G589 V590 M599 A602 R603 I606	Q494-I510 HydrophobicContact CB-CD1 3.93Å; I510-G589 CarbonylContact O-C 3.57Å; I510-G589 WeakPolarHBondContact O-CA 3.24Å; I510-V590 HydrophobicContact CG2-CB 3.97Å; I510-V590 PolarHBondContact N-O 3.26Å; I510-V590 PolarHBondContact O-N 3.35Å; I510-M599 HydrophobicContact CB-SD 3.65Å; I510-M599 HydrophobicContact CD1-SD 3.74Å; I510-M599 HydrophobicContact CG1-SD 4.29Å; I510-M599 HydrophobicContact CG2-CE 4.48Å; I510-M599 HydrophobicContact CG2-SD 3.63Å; I510-A602 HydrophobicContact CG2-CB 3.72Å; I510-R603 HydrophobicContact CD1-CB 4.26Å; I510-R603 HydrophobicContact CD1-CG 3.21Å; I510-I606 HydrophobicContact CB-CD1 4.43Å; I510-I606 HydrophobicContact CG1-CD1 4.14Å; I510-I606 HydrophobicContact CG2-CD1 3.8Å
511	G	97.5	Very high	94.8	Very high	5 Å²	5	32.1 Å²	32.1	5%	0.052	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.3	-138.8	177	0	0	0	0	0	114	R465 V588	R465-G511 PolarHBondContact NH1-O 3.44Å; R465-G511 VanDerWaalsContact NH1-O 3.09Å; R465-G511 PolarHBondContact NH2-O 3.46Å; G511-V588 CarbonylContact C-O 3.5Å; G511-V588 WeakPolarHBondContact CA-O 3.45Å
512	I	97	Very high	94.8	Very high	31 Å²	31	31.2 Å²	31.2	16%	0.159	20%	0.196	C	C	.	.			trans	-103.4	105.7	174.9	-55.3	-177.7	0	0	0	108.6	L462 D514 L517 Y581 V588 G589	L462-I512 HydrophobicContact CB-CD1 4.27Å; L462-I512 HydrophobicContact CB-CG1 4.38Å; L462-I512 HydrophobicContact CD1-CG1 3.86Å; L462-I512 HydrophobicContact CD2-CD1 3.85Å; L462-I512 HydrophobicContact CD2-CG1 3.91Å; L462-I512 HydrophobicContact CG-CD1 4.43Å; L462-I512 HydrophobicContact CG-CG1 4.25Å; I512-D514 HydrophobicContact CG2-CB 4.36Å; I512-L517 HydrophobicContact CG2-CD1 3.9Å; I512-Y581 WeakPolarHBondContact O-CB 3.42Å; I512-V588 HydrophobicContact CB-CG2 4.27Å; I512-V588 PolarHBondContact N-O 3.35Å; I512-G589 WeakPolarHBondContact O-CA 3.4Å
513	V	97	Very high	94.7	Very high	34 Å²	34	32.8 Å²	32.8	21%	0.206	20%	0.201	C	C	.	.			trans	-113.1	74.6	-176.6	-67.1	0	0	0	0	110.3	V368 A509 Y581 V591	V368-V513 HydrophobicContact CG1-CB 4.12Å; V368-V513 HydrophobicContact CG1-CG2 4.07Å; A509-V513 HydrophobicContact CB-CG1 4.34Å; A509-V513 HydrophobicContact CB-CG2 4.22Å; V513-Y581 HydrophobicContact CB-CD2 4.39Å; V513-Y581 HydrophobicContact CB-CE1 4.32Å; V513-Y581 HydrophobicContact CB-CE2 4.12Å; V513-Y581 HydrophobicContact CG1-CD2 3.94Å; V513-Y581 HydrophobicContact CG1-CE2 3.89Å; V513-Y581 HydrophobicContact CG1-CG 4.49Å; V513-V591 HydrophobicContact CB-CG2 4.03Å; V513-V591 HydrophobicContact CG1-CG2 3.71Å
514	D	95.5	Very high	94.6	Very high	71 Å²	71	32.4 Å²	32.4	38%	0.38	20%	0.197	S	C	.	.			trans	-114.5	121.4	-177.4	-176.6	-30.8	0	0	0	109.3	I512 S516 L517 Y581	I512-D514 HydrophobicContact CG2-CB 4.36Å; D514-S516 PolarHBondContact O-N 2.8Å; D514-S516 VanDerWaalsContact O-N 3.12Å; D514-S516 VanDerWaalsContact OD1-CB 3.25Å; D514-S516 WeakPolarHBondContact OD1-CB 3.44Å; D514-S516 PolarHBondContact OD1-N 3.16Å; D514-S516 PolarHBondContact OD1-OG 2.77Å; D514-S516 PolarHBondContact OD2-OG 2.86Å; D514-L517 HydrophobicContact CB-CD1 4.24Å; D514-L517 HydrophobicContact CB-CG 4.23Å; D514-L517 WeakPolarHBondContact O-CB 3.39Å; D514-L517 PolarHBondContact O-N 3.28Å; D514-Y581 VanDerWaalsContact O-CD1 3.3Å; D514-Y581 WeakPolarHBondContact O-CD1 3.37Å; D514-Y581 WeakPolarHBondContact O-CE1 3.47Å
515	S	94.4	Very high	94.4	Very high	41 Å²	41	33.4 Å²	33.4	29%	0.287	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.8	-176.4	66	0	0	0	0	114.3	G366 K367 L369 L517	G366-S515 WeakPolarHBondContact O-CB 3.46Å; G366-S515 PolarHBondContact O-OG 2.81Å; K367-S515 WeakPolarHBondContact CA-OG 3.4Å; K367-S515 PolarHBondContact O-N 3.01Å; K367-S515 PolarHBondContact O-OG 3.23Å; L369-S515 WeakPolarHBondContact O-CB 3.41Å; S515-L517 VanDerWaalsContact C-N 3.29Å
516	S	94.6	Very high	94.1	Very high	96 Å²	96	34 Å²	34	67%	0.671	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-16.9	171.2	70.2	0	0	0	0	113.5	D514	D514-S516 PolarHBondContact O-N 2.8Å; D514-S516 VanDerWaalsContact O-N 3.12Å; D514-S516 VanDerWaalsContact OD1-CB 3.25Å; D514-S516 WeakPolarHBondContact OD1-CB 3.44Å; D514-S516 PolarHBondContact OD1-N 3.16Å; D514-S516 PolarHBondContact OD1-OG 2.77Å; D514-S516 PolarHBondContact OD2-OG 2.86Å
517	L	96.5	Very high	93.9	Very high	31 Å²	31	36.9 Å²	36.9	16%	0.162	23%	0.228	C	C	.	.	S	Bend	trans	-75.7	152.2	174.2	-63.9	175.6	0	0	0	110.9	I512 D514 S515 T519 Y581 R583 V588	I512-L517 HydrophobicContact CG2-CD1 3.9Å; D514-L517 HydrophobicContact CB-CD1 4.24Å; D514-L517 HydrophobicContact CB-CG 4.23Å; D514-L517 WeakPolarHBondContact O-CB 3.39Å; D514-L517 PolarHBondContact O-N 3.28Å; S515-L517 VanDerWaalsContact C-N 3.29Å; L517-T519 PolarHBondContact O-N 3.31Å; L517-Y581 HydrophobicContact CB-CD1 4.48Å; L517-R583 HydrophobicContact CD2-CG 4.32Å; L517-V588 HydrophobicContact CD1-CG2 3.96Å
518	P	96.2	Very high	93.5	Very high	86 Å²	86	44.8 Å²	44.8	56%	0.558	27%	0.265	S	S	*	.			trans	-56.2	132.6	165.4	-20.9	31.9	0	0	0	110.3	L582	P518-L582 HydrophobicContact CB-CB 4.4Å; P518-L582 PolarHBondContact O-N 3.42Å
519	T	96.2	Very high	93.1	Very high	41 Å²	41	50.9 Å²	50.9	25%	0.252	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.5	178	54.8	0	0	0	0	112.1	L517 I579 F580 Y581	L517-T519 PolarHBondContact O-N 3.31Å; T519-I579 HydrophobicContact CG2-CG2 4.16Å; T519-F580 CarbonylContact C-O 3.55Å; T519-F580 WeakPolarHBondContact CA-O 3.24Å; T519-Y581 HydrophobicContact CG2-CD1 3.55Å; T519-Y581 HydrophobicContact CG2-CE1 3.65Å; T519-Y581 HydrophobicContact CG2-CG 4.01Å
520	V	95.1	Very high	92.8	Very high	47 Å²	47	51.8 Å²	51.8	29%	0.285	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118	167.9	-178.7	0	0	0	0	107.6	F580 L582 F615	V520-F580 PolarHBondContact N-O 2.74Å; V520-F580 PolarHBondContact O-N 3.25Å; V520-L582 HydrophobicContact CG2-CD1 3.89Å; V520-F615 HydrophobicContact CB-CB 4.38Å; V520-F615 HydrophobicContact CB-CD2 4.4Å; V520-F615 HydrophobicContact CB-CG 4.18Å; V520-F615 HydrophobicContact CG1-CB 3.7Å; V520-F615 HydrophobicContact CG1-CD2 4.4Å; V520-F615 HydrophobicContact CG1-CG 4.03Å; V520-F615 HydrophobicContact CG2-CD2 4.04Å; V520-F615 HydrophobicContact CG2-CE2 4.39Å; V520-F615 HydrophobicContact CG2-CG 4.33Å
521	G	93.3	Very high	92.5	Very high	26 Å²	26	52.4 Å²	52.4	27%	0.268	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.9	177.1	0	0	0	0	0	111.6	Y372 V578	Y372-G521 WeakPolarHBondContact OH-CA 3.33Å; G521-V578 WeakPolarHBondContact CA-O 3.27Å
522	V	92.4	Very high	92.3	Very high	13 Å²	13	52.1 Å²	52.1	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.7	173.2	-176.2	0	0	0	0	108.1	G577 V578 A619 L624 Y625	V522-G577 CarbonylContact O-C 3.46Å; V522-G577 WeakPolarHBondContact O-CA 3.48Å; V522-V578 HydrophobicContact CB-CG1 4.12Å; V522-V578 PolarHBondContact N-O 2.72Å; V522-V578 PolarHBondContact O-N 3.17Å; V522-A619 HydrophobicContact CB-CB 3.83Å; V522-A619 HydrophobicContact CG1-CB 3.77Å; V522-A619 HydrophobicContact CG2-CB 3.81Å; V522-L624 HydrophobicContact CB-CD1 4.17Å; V522-L624 HydrophobicContact CG1-CD1 4Å; V522-Y625 HydrophobicContact CG1-CE2 4.31Å; V522-Y625 VanDerWaalsContact CG1-OH 3.25Å; V522-Y625 WeakPolarHBondContact CG1-OH 3.44Å
523	F	89	Confident	92.1	Very high	37 Å²	37	55.4 Å²	55.4	16%	0.162	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.1	-169.4	-56.1	-69.9	0	0	0	111.7	Y372 L373 Y574 K576 I579 W593	Y372-F523 HydrophobicContact CD2-CE2 4.26Å; Y372-F523 HydrophobicContact CD2-CZ 4.46Å; Y372-F523 HydrophobicContact CE2-CD2 4.39Å; Y372-F523 HydrophobicContact CE2-CE1 4.34Å; Y372-F523 AromaticContact CE2-CE2 3.3Å; Y372-F523 HydrophobicContact CE2-CE2 3.3Å; Y372-F523 AromaticContact CE2-CZ 3.3Å; Y372-F523 HydrophobicContact CE2-CZ 3.3Å; Y372-F523 AromaticContact CZ-CE2 3.67Å; Y372-F523 AromaticContact CZ-CZ 3.71Å; Y372-F523 WeakPolarHBondContact OH-CE2 3.48Å; Y372-F523 VanDerWaalsContact OH-CZ 3.29Å; Y372-F523 WeakPolarHBondContact OH-CZ 3.31Å; L373-F523 HydrophobicContact CD1-CE1 3.72Å; L373-F523 HydrophobicContact CD1-CZ 3.74Å; L373-F523 HydrophobicContact CG-CE1 4.43Å; L373-F523 HydrophobicContact CG-CZ 4.45Å; F523-Y574 HydrophobicContact CB-CD1 3.42Å; F523-Y574 VanDerWaalsContact CB-CD1 3.42Å; F523-Y574 HydrophobicContact CB-CE1 3.84Å; F523-Y574 HydrophobicContact CB-CG 3.85Å; F523-Y574 WeakPolarHBondContact O-CE1 3.5Å; F523-K576 WeakPolarHBondContact CA-O 3.3Å; F523-I579 HydrophobicContact CE1-CG1 4.25Å; F523-I579 HydrophobicContact CZ-CG1 4.14Å; F523-W593 AromaticContact CD1-CE3 3.96Å; F523-W593 HydrophobicContact CD1-CE3 3.96Å; F523-W593 HydrophobicContact CD1-CZ3 4.06Å; F523-W593 HydrophobicContact CE1-CE3 4.22Å
524	M	87.9	Confident	92	Very high	18 Å²	18	54.3 Å²	54.3	9%	0.089	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	166.3	179.2	-66.5	-67.2	-71.9	0	0	110.4	G575 K576 L624 Y625	M524-G575 PolarHBondContact O-N 2.65Å; M524-K576 HydrophobicContact CB-CG 4.34Å; M524-K576 PolarHBondContact N-O 3.29Å; M524-K576 PolarHBondContact O-N 2.7Å; M524-K576 VanDerWaalsContact O-N 3.14Å; M524-L624 WeakPolarHBondContact CE-O 3.43Å; M524-L624 HydrophobicContact CG-CB 3.96Å; M524-L624 WeakPolarHBondContact CG-O 3.43Å; M524-Y625 HydrophobicContact CE-CD1 4.16Å; M524-Y625 HydrophobicContact CE-CE1 4.46Å; M524-Y625 HydrophobicContact SD-CD1 4.18Å; M524-Y625 HydrophobicContact SD-CE1 3.91Å
525	K	86.7	Confident	91.9	Very high	84 Å²	84	51.3 Å²	51.3	37%	0.365	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-66	136.6	168.5	-171.5	178	174.5	-171	0	109.3	D566 D573	K525-D566 HydrophobicContact CD-CB 4.17Å; K525-D566 IonicContact NZ-OD2 3.45Å; K525-D566 PolarHBondContact NZ-OD2 3.14Å; K525-D566 VanDerWaalsContact NZ-OD2 3.15Å; K525-D573 WeakPolarHBondContact CA-O 3.27Å
526	A	86.4	Confident	91.8	Very high	36 Å²	36	49.4 Å²	49.4	30%	0.298	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-81.5	145.7	174	0	0	0	0	0	111.1	D530 K576	A526-D530 HydrophobicContact CB-CB 4.05Å; A526-K576 HydrophobicContact CB-CB 4.41Å
527	S	87.7	Confident	91.8	Very high	62 Å²	62	54.4 Å²	54.4	43%	0.434	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-90.9	172.4	163.6	70.2	0	0	0	0	110.8	E529 D530	S527-E529 PolarHBondContact O-N 3.44Å; S527-E529 PolarHBondContact OG-N 3.26Å; S527-D530 WeakPolarHBondContact CB-OD2 3.38Å; S527-D530 PolarHBondContact N-OD2 2.99Å; S527-D530 PolarHBondContact O-N 3.17Å; S527-D530 VanDerWaalsContact O-N 3.14Å; S527-D530 PolarHBondContact OG-OD2 3.34Å
528	E	87	Confident	91.5	Very high	176 Å²	176	57 Å²	57	82%	0.822	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.7	174.8	-63.1	-172.9	170.9	0	0	112.8	D530 T531	E528-D530 VanDerWaalsContact C-N 3.35Å; E528-T531 PolarHBondContact O-OG1 3.05Å
529	E	89.2	Confident	91.3	Very high	128 Å²	128	54.8 Å²	54.8	60%	0.598	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.2	178.2	-60	-60.4	154.5	0	0	112.9	S527 T531 A534	S527-E529 PolarHBondContact O-N 3.44Å; S527-E529 PolarHBondContact OG-N 3.26Å; E529-T531 PolarHBondContact O-N 3.02Å; E529-T531 VanDerWaalsContact O-N 3.08Å; E529-A534 WeakPolarHBondContact O-CB 3.41Å
530	D	90.8	Very high	91.1	Very high	22 Å²	22	55.3 Å²	55.3	12%	0.118	29%	0.293	C	S	.	.	S	Bend	trans	-87.7	46.4	-179.5	-63.8	-61.3	0	0	0	111.6	A526 S527 E528 K576 N594	A526-D530 HydrophobicContact CB-CB 4.05Å; S527-D530 WeakPolarHBondContact CB-OD2 3.38Å; S527-D530 PolarHBondContact N-OD2 2.99Å; S527-D530 PolarHBondContact O-N 3.17Å; S527-D530 VanDerWaalsContact O-N 3.14Å; S527-D530 PolarHBondContact OG-OD2 3.34Å; E528-D530 VanDerWaalsContact C-N 3.35Å; D530-K576 HydrophobicContact CB-CD 3.95Å; D530-K576 WeakPolarHBondContact OD1-CD 3.34Å; D530-K576 IonicContact OD1-NZ 3.89Å; D530-K576 PolarHBondContact OD1-NZ 2.77Å; D530-K576 WeakPolarHBondContact OD2-CD 3.49Å; D530-K576 IonicContact OD2-NZ 3.79Å; D530-K576 PolarHBondContact OD2-NZ 2.77Å; D530-N594 VanDerWaalsContact O-CB 3.29Å; D530-N594 WeakPolarHBondContact O-CB 3.49Å; D530-N594 VanDerWaalsContact O-CG 3.23Å
531	T	91.9	Very high	90.9	Very high	15 Å²	15	54.1 Å²	54.1	9%	0.092	29%	0.285	C	S	.	.	S	Bend	trans	-132.5	151.9	179.6	65	0	0	0	0	112.7	E504 E528 E529 K533 A534 L535 F596	E504-T531 HydrophobicContact CB-CG2 4.44Å; E504-T531 WeakPolarHBondContact OE2-CG2 3.35Å; E528-T531 PolarHBondContact O-OG1 3.05Å; E529-T531 PolarHBondContact O-N 3.02Å; E529-T531 VanDerWaalsContact O-N 3.08Å; T531-K533 PolarHBondContact O-N 2.95Å; T531-A534 PolarHBondContact O-N 3.1Å; T531-A534 VanDerWaalsContact OG1-CB 3.27Å; T531-A534 WeakPolarHBondContact OG1-CB 3.43Å; T531-A534 PolarHBondContact OG1-N 2.92Å; T531-A534 VanDerWaalsContact OG1-N 3.12Å; T531-L535 PolarHBondContact O-N 3.12Å; T531-F596 WeakPolarHBondContact O-CE2 3.4Å
532	P	92.8	Very high	90.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-50.2	-42.9	170.7	-29.7	35.9	0	0	0	112.9	D500 P503 E504 L535 V536 F596	D500-P532 HydrophobicContact CB-CG 4.45Å; P503-P532 VanDerWaalsContact O-CD 3.29Å; P503-P532 WeakPolarHBondContact O-CD 3.47Å; E504-P532 VanDerWaalsContact C-CD 3.48Å; P532-L535 PolarHBondContact O-N 3.19Å; P532-V536 VanDerWaalsContact O-CG2 3.29Å; P532-V536 WeakPolarHBondContact O-CG2 3.45Å; P532-V536 PolarHBondContact O-N 3.06Å; P532-F596 HydrophobicContact CG-CZ 4.22Å
533	K	94.1	Very high	90.7	Very high	99 Å²	99	52.7 Å²	52.7	43%	0.43	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-43.4	179.4	-178.7	174.3	-177.3	-177.5	0	113.1	W221 P503 T531 V536 R537	W221-K533 HydrophobicContact CB-CB 4.03Å; W221-K533 HydrophobicContact CB-CG 4.11Å; P503-K533 HydrophobicContact CB-CB 3.92Å; P503-K533 HydrophobicContact CB-CD 4.15Å; P503-K533 VanDerWaalsContact O-CB 3.3Å; P503-K533 WeakPolarHBondContact O-CB 3.33Å; P503-K533 PolarHBondContact O-N 2.99Å; T531-K533 PolarHBondContact O-N 2.95Å; K533-V536 PolarHBondContact O-N 2.86Å; K533-R537 WeakPolarHBondContact O-CB 3.44Å; K533-R537 PolarHBondContact O-N 2.87Å
534	A	94.3	Very high	90.9	Very high	12 Å²	12	51 Å²	51	10%	0.099	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-44.4	176.1	0	0	0	0	0	111.3	E529 T531 V536 R537 A538	E529-A534 WeakPolarHBondContact O-CB 3.41Å; T531-A534 PolarHBondContact O-N 3.1Å; T531-A534 VanDerWaalsContact OG1-CB 3.27Å; T531-A534 WeakPolarHBondContact OG1-CB 3.43Å; T531-A534 PolarHBondContact OG1-N 2.92Å; T531-A534 VanDerWaalsContact OG1-N 3.12Å; A534-V536 PolarHBondContact O-N 3.4Å; A534-R537 WeakPolarHBondContact O-CB 3.3Å; A534-R537 PolarHBondContact O-N 3.14Å; A534-A538 PolarHBondContact O-N 3.36Å
535	L	92.9	Very high	91.1	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-57.4	-51.8	175	179.7	70.5	0	0	0	111.7	T531 P532 R537 A538 T539 F596	T531-L535 PolarHBondContact O-N 3.12Å; P532-L535 PolarHBondContact O-N 3.19Å; L535-R537 PolarHBondContact O-N 2.98Å; L535-A538 WeakPolarHBondContact O-CA 3.4Å; L535-A538 WeakPolarHBondContact O-CB 3.48Å; L535-A538 PolarHBondContact O-N 3.2Å; L535-T539 HydrophobicContact CD1-CG2 3.86Å; L535-T539 HydrophobicContact CG-CG2 4.33Å; L535-T539 PolarHBondContact O-N 2.77Å; L535-T539 PolarHBondContact O-OG1 2.95Å; L535-T539 VanDerWaalsContact O-OG1 3.06Å; L535-F596 HydrophobicContact CB-CD2 4.21Å; L535-F596 HydrophobicContact CD1-CB 4.03Å; L535-F596 HydrophobicContact CD2-CB 3.91Å; L535-F596 HydrophobicContact CD2-CD1 4.26Å; L535-F596 HydrophobicContact CD2-CD2 4.44Å; L535-F596 HydrophobicContact CD2-CG 3.93Å; L535-F596 HydrophobicContact CG-CB 4.45Å
536	V	93.3	Very high	91.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-30.4	-180	177.1	0	0	0	0	111.8	Q220 W221 N222 P532 K533 A534 A538 D540	Q220-V536 HydrophobicContact CB-CG1 4.03Å; W221-V536 HydrophobicContact CB-CB 4.19Å; W221-V536 HydrophobicContact CB-CG1 4.34Å; W221-V536 HydrophobicContact CB-CG2 4.39Å; N222-V536 HydrophobicContact CB-CG1 4.03Å; N222-V536 PolarHBondContact ND2-O 3.46Å; N222-V536 VanDerWaalsContact ND2-O 3.15Å; P532-V536 VanDerWaalsContact O-CG2 3.29Å; P532-V536 WeakPolarHBondContact O-CG2 3.45Å; P532-V536 PolarHBondContact O-N 3.06Å; K533-V536 PolarHBondContact O-N 2.86Å; A534-V536 PolarHBondContact O-N 3.4Å; V536-A538 VanDerWaalsContact C-N 3.34Å; V536-D540 WeakPolarHBondContact O-CA 3.39Å; V536-D540 PolarHBondContact O-N 2.79Å
537	R	93.5	Very high	91.6	Very high	202 Å²	202	48.2 Å²	48.2	76%	0.762	25%	0.247	S	C	*	.	H	α-helix	trans	-67.1	-37.1	172.2	-173.4	-177.3	-177.6	-176.1	-0.3	111.9	N222 K533 A534 L535	N222-R537 HydrophobicContact CB-CB 4.46Å; K533-R537 WeakPolarHBondContact O-CB 3.44Å; K533-R537 PolarHBondContact O-N 2.87Å; A534-R537 WeakPolarHBondContact O-CB 3.3Å; A534-R537 PolarHBondContact O-N 3.14Å; L535-R537 PolarHBondContact O-N 2.98Å
538	A	91.4	Very high	91.7	Very high	84 Å²	84	45.2 Å²	45.2	69%	0.694	23%	0.227	S	C	*	.	H	α-helix	trans	-77.4	-37.7	-179.9	0	0	0	0	0	113.2	A534 L535 V536	A534-A538 PolarHBondContact O-N 3.36Å; L535-A538 WeakPolarHBondContact O-CA 3.4Å; L535-A538 WeakPolarHBondContact O-CB 3.48Å; L535-A538 PolarHBondContact O-N 3.2Å; V536-A538 VanDerWaalsContact C-N 3.34Å
539	T	91.3	Very high	91.7	Very high	40 Å²	40	39 Å²	39	25%	0.245	21%	0.205	C	C	.	.	H	α-helix	trans	-99.1	-18.2	-174.5	62.2	0	0	0	0	114.2	L535 E541 T547	L535-T539 HydrophobicContact CD1-CG2 3.86Å; L535-T539 HydrophobicContact CG-CG2 4.33Å; L535-T539 PolarHBondContact O-N 2.77Å; L535-T539 PolarHBondContact O-OG1 2.95Å; L535-T539 VanDerWaalsContact O-OG1 3.06Å; T539-E541 PolarHBondContact O-N 3.08Å; T539-E541 PolarHBondContact OG1-N 3.13Å; T539-E541 PolarHBondContact OG1-O 3.36Å; T539-T547 HydrophobicContact CG2-CG2 3.91Å; T539-T547 WeakPolarHBondContact OG1-CG2 3.41Å
540	D	91.5	Very high	91.3	Very high	52 Å²	52	37.7 Å²	37.7	28%	0.278	20%	0.199	S	C	.	.	S	Bend	trans	63.9	15.1	-169.6	-157.2	48.3	0	0	0	115.6	Q220 N222 R224 V536	Q220-D540 PolarHBondContact NE2-O 3.43Å; N222-D540 PolarHBondContact ND2-OD1 3.22Å; R224-D540 WeakPolarHBondContact CD-OD1 3.5Å; R224-D540 IonicContact CZ-OD1 3.41Å; R224-D540 IonicContact CZ-OD2 2.7Å; R224-D540 IonicContact NE-OD1 2.69Å; R224-D540 PolarHBondContact NE-OD1 3.2Å; R224-D540 IonicContact NE-OD2 2.85Å; R224-D540 VanDerWaalsContact NH1-CG 3.29Å; R224-D540 IonicContact NH1-OD1 3.15Å; R224-D540 PolarHBondContact NH1-OD1 3.4Å; R224-D540 IonicContact NH1-OD2 2.93Å; R224-D540 PolarHBondContact NH1-OD2 3.42Å; R224-D540 IonicContact NH2-OD1 2.62Å; R224-D540 IonicContact NH2-OD2 2.76Å; V536-D540 WeakPolarHBondContact O-CA 3.39Å; V536-D540 PolarHBondContact O-N 2.79Å
541	E	91.9	Very high	90.8	Very high	23 Å²	23	37.5 Å²	37.5	11%	0.107	20%	0.201	C	C	.	.			trans	-137	119.6	-170.7	179.3	49.4	-99.9	0	0	111.3	R226 T539 V543 E546 T547	R226-E541 IonicContact CZ-OE1 2.93Å; R226-E541 IonicContact CZ-OE2 3.69Å; R226-E541 IonicContact NH1-OE1 2.6Å; R226-E541 PolarHBondContact NH1-OE1 2.92Å; R226-E541 IonicContact NH1-OE2 2.76Å; R226-E541 PolarHBondContact NH1-OE2 3.43Å; R226-E541 IonicContact NH2-OE2 3.12Å; R226-E541 PolarHBondContact NH2-OE2 3.14Å; T539-E541 PolarHBondContact O-N 3.08Å; T539-E541 PolarHBondContact OG1-N 3.13Å; T539-E541 PolarHBondContact OG1-O 3.36Å; E541-V543 WeakPolarHBondContact OE1-CA 3.42Å; E541-V543 VanDerWaalsContact OE1-CB 3.24Å; E541-V543 WeakPolarHBondContact OE1-CB 3.28Å; E541-V543 WeakPolarHBondContact OE1-CG2 3.46Å; E541-V543 PolarHBondContact OE1-N 2.98Å; E541-E546 HydrophobicContact CG-CB 3.88Å; E541-T547 HydrophobicContact CB-CG2 3.8Å; E541-T547 HydrophobicContact CG-CG2 3.89Å; E541-T547 VanDerWaalsContact O-CG2 3.26Å; E541-T547 WeakPolarHBondContact O-CG2 3.4Å
542	G	89.5	Confident	90.3	Very high	4 Å²	4	40.8 Å²	40.8	4%	0.041	22%	0.215	C	C	.	.			trans	-87.8	-21.1	179.7	0	0	0	0	0	115.5	R544	G542-R544 PolarHBondContact O-N 3.17Å
543	V	91.7	Very high	89.3	Confident	5 Å²	5	46.2 Å²	46.2	3%	0.03	25%	0.248	C	C	.	.			trans	-74.3	97.8	175.4	-177.3	0	0	0	0	108.6	M196 W498 E541 S545 E546 T547	M196-V543 HydrophobicContact SD-CG2 3.87Å; W498-V543 HydrophobicContact CH2-CG1 3.68Å; W498-V543 HydrophobicContact CZ2-CG1 4.01Å; E541-V543 WeakPolarHBondContact OE1-CA 3.42Å; E541-V543 VanDerWaalsContact OE1-CB 3.24Å; E541-V543 WeakPolarHBondContact OE1-CB 3.28Å; E541-V543 WeakPolarHBondContact OE1-CG2 3.46Å; E541-V543 PolarHBondContact OE1-N 2.98Å; V543-S545 PolarHBondContact O-N 3.39Å; V543-S545 VanDerWaalsContact O-N 3.1Å; V543-E546 HydrophobicContact CB-CB 4.46Å; V543-E546 HydrophobicContact CB-CG 4.09Å; V543-E546 HydrophobicContact CG1-CG 3.85Å; V543-E546 WeakPolarHBondContact O-CB 3.22Å; V543-E546 PolarHBondContact O-N 2.87Å; V543-T547 PolarHBondContact O-N 2.93Å
544	R	93.9	Very high	88	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58.3	-31.9	-170.5	-159.5	62.2	58	85.4	1.2	115.1	M496 W498 D500 E508 G542 E546 T547 E548	M496-R544 HydrophobicContact CE-CB 4.36Å; M496-R544 HydrophobicContact CE-CG 4.02Å; W498-R544 HydrophobicContact CB-CB 3.78Å; W498-R544 HydrophobicContact CB-CG 4Å; W498-R544 HydrophobicContact CD2-CB 3.42Å; W498-R544 VanDerWaalsContact CD2-CB 3.42Å; W498-R544 HydrophobicContact CE3-CB 3.95Å; W498-R544 HydrophobicContact CG-CB 3.29Å; W498-R544 HydrophobicContact CG-CG 4.05Å; D500-R544 VanDerWaalsContact CG-NH2 3.32Å; D500-R544 IonicContact OD1-CZ 3.63Å; D500-R544 IonicContact OD1-NH2 2.7Å; D500-R544 PolarHBondContact OD1-NH2 3.17Å; D500-R544 IonicContact OD2-NH2 3.85Å; D500-R544 PolarHBondContact OD2-NH2 3.31Å; D500-R544 VanDerWaalsContact OD2-NH2 3.12Å; E508-R544 HydrophobicContact CG-CG 4.18Å; E508-R544 WeakPolarHBondContact OE1-CD 3.3Å; E508-R544 WeakPolarHBondContact OE1-CG 3.38Å; E508-R544 IonicContact OE1-CZ 3.03Å; E508-R544 IonicContact OE1-NH1 2.99Å; E508-R544 PolarHBondContact OE1-NH1 3.47Å; E508-R544 VanDerWaalsContact OE1-NH1 3.09Å; G542-R544 PolarHBondContact O-N 3.17Å; R544-E546 PolarHBondContact O-N 2.86Å; R544-T547 WeakPolarHBondContact CD-OG1 3.21Å; R544-T547 PolarHBondContact O-N 3.45Å; R544-T547 PolarHBondContact O-OG1 3.48Å; R544-E548 HydrophobicContact CG-CG 4.39Å; R544-E548 WeakPolarHBondContact O-CG 3.19Å; R544-E548 PolarHBondContact O-N 3.27Å
545	S	91.9	Very high	86.3	Confident	9 Å²	9	47.4 Å²	47.4	6%	0.063	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-26.6	175.3	54.5	0	0	0	0	113.2	H470 W498 V543 A549	H470-S545 PolarHBondContact ND1-OG 2.58Å; H470-S545 VanDerWaalsContact ND1-OG 3.1Å; W498-S545 WeakPolarHBondContact CZ3-OG 3.36Å; V543-S545 PolarHBondContact O-N 3.39Å; V543-S545 VanDerWaalsContact O-N 3.1Å; S545-A549 WeakPolarHBondContact O-CB 3.48Å; S545-A549 PolarHBondContact O-N 2.97Å
546	E	91.5	Very high	84	Confident	69 Å²	69	53.9 Å²	53.9	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-78.8	-43.3	177.4	-62.6	-179.6	-165.1	0	0	111.1	R226 E541 V543 R544 A549 Q550	R226-E546 IonicContact NH2-OE1 2.71Å; R226-E546 IonicContact NH2-OE2 2.64Å; E541-E546 HydrophobicContact CG-CB 3.88Å; V543-E546 HydrophobicContact CB-CB 4.46Å; V543-E546 HydrophobicContact CB-CG 4.09Å; V543-E546 HydrophobicContact CG1-CG 3.85Å; V543-E546 WeakPolarHBondContact O-CB 3.22Å; V543-E546 PolarHBondContact O-N 2.87Å; R544-E546 PolarHBondContact O-N 2.86Å; E546-A549 PolarHBondContact O-N 3.44Å; E546-Q550 WeakPolarHBondContact O-CG 3.43Å; E546-Q550 PolarHBondContact O-N 3.38Å; E546-Q550 VanDerWaalsContact O-N 3.1Å
547	T	91.5	Very high	81.6	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.012	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-44	176.5	59.9	0	0	0	0	112	T539 E541 V543 R544 A549 Q550 A551	T539-T547 HydrophobicContact CG2-CG2 3.91Å; T539-T547 WeakPolarHBondContact OG1-CG2 3.41Å; E541-T547 HydrophobicContact CB-CG2 3.8Å; E541-T547 HydrophobicContact CG-CG2 3.89Å; E541-T547 VanDerWaalsContact O-CG2 3.26Å; E541-T547 WeakPolarHBondContact O-CG2 3.4Å; V543-T547 PolarHBondContact O-N 2.93Å; R544-T547 WeakPolarHBondContact CD-OG1 3.21Å; R544-T547 PolarHBondContact O-N 3.45Å; R544-T547 PolarHBondContact O-OG1 3.48Å; T547-A549 VanDerWaalsContact C-N 3.33Å; T547-A549 PolarHBondContact O-N 2.97Å; T547-Q550 WeakPolarHBondContact O-CB 3.4Å; T547-Q550 PolarHBondContact O-N 3.46Å; T547-A551 PolarHBondContact O-N 3.39Å
548	E	90.9	Very high	79.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-66.7	-33.4	177.7	-72.7	-63.6	155.9	0	0	112.5	M496 R544 A551 E552 N597 R598 M599 P600	M496-E548 HydrophobicContact CE-CB 4.44Å; M496-E548 HydrophobicContact CE-CG 3.91Å; M496-E548 HydrophobicContact SD-CB 3.73Å; M496-E548 HydrophobicContact SD-CG 3.85Å; R544-E548 HydrophobicContact CG-CG 4.39Å; R544-E548 WeakPolarHBondContact O-CG 3.19Å; R544-E548 PolarHBondContact O-N 3.27Å; E548-A551 WeakPolarHBondContact O-CB 3.48Å; E548-A551 PolarHBondContact O-N 3.38Å; E548-E552 PolarHBondContact O-N 2.92Å; E548-N597 WeakPolarHBondContact OE1-CA 3.25Å; E548-N597 PolarHBondContact OE1-N 3.22Å; E548-N597 WeakPolarHBondContact OE2-CA 3.44Å; E548-R598 PolarHBondContact OE2-N 2.68Å; E548-M599 HydrophobicContact CB-CB 4Å; E548-M599 VanDerWaalsContact CD-CB 3.49Å; E548-M599 HydrophobicContact CG-CB 3.76Å; E548-M599 WeakPolarHBondContact OE2-CB 3.47Å; E548-M599 PolarHBondContact OE2-N 2.63Å; E548-P600 VanDerWaalsContact OE2-CD 3.32Å; E548-P600 WeakPolarHBondContact OE2-CD 3.41Å
549	A	86.1	Confident	77.6	Confident	45 Å²	45	59.6 Å²	59.6	37%	0.372	34%	0.343	S	S	.	.	H	α-helix	trans	-66.9	-36.3	173.9	0	0	0	0	0	112.1	S545 E546 T547 E552 T553	S545-A549 WeakPolarHBondContact O-CB 3.48Å; S545-A549 PolarHBondContact O-N 2.97Å; E546-A549 PolarHBondContact O-N 3.44Å; T547-A549 VanDerWaalsContact C-N 3.33Å; T547-A549 PolarHBondContact O-N 2.97Å; A549-E552 WeakPolarHBondContact O-CB 3.42Å; A549-E552 PolarHBondContact O-N 2.87Å; A549-T553 PolarHBondContact O-N 3.43Å
550	Q	81.4	Confident	75.5	Confident	101 Å²	101	66 Å²	66	47%	0.472	37%	0.37	S	S	.	.	H	α-helix	trans	-66.4	-39.3	172.8	-67.7	171.1	8.9	0	0	111.3	E546 T547 E552 T553 S554	E546-Q550 WeakPolarHBondContact O-CG 3.43Å; E546-Q550 PolarHBondContact O-N 3.38Å; E546-Q550 VanDerWaalsContact O-N 3.1Å; T547-Q550 WeakPolarHBondContact O-CB 3.4Å; T547-Q550 PolarHBondContact O-N 3.46Å; Q550-E552 VanDerWaalsContact C-N 3.33Å; Q550-E552 PolarHBondContact O-N 3.15Å; Q550-T553 PolarHBondContact O-N 2.89Å; Q550-T553 PolarHBondContact O-OG1 3.26Å; Q550-S554 PolarHBondContact O-N 2.82Å; Q550-S554 VanDerWaalsContact O-N 3.16Å; Q550-S554 PolarHBondContact O-OG 2.84Å
551	A	80.1	Confident	73.6	Confident	18 Å²	18	66.3 Å²	66.3	15%	0.149	38%	0.375	C	S	.	.	H	α-helix	trans	-61	-39.6	174.3	0	0	0	0	0	112	T547 E548 T553 S554 A555 N597 P600	T547-A551 PolarHBondContact O-N 3.39Å; E548-A551 WeakPolarHBondContact O-CB 3.48Å; E548-A551 PolarHBondContact O-N 3.38Å; A551-T553 VanDerWaalsContact C-N 3.32Å; A551-T553 PolarHBondContact O-N 2.95Å; A551-S554 CarbonylContact O-C 3.58Å; A551-S554 PolarHBondContact O-N 2.97Å; A551-S554 VanDerWaalsContact O-N 3.12Å; A551-A555 WeakPolarHBondContact O-CB 3.44Å; A551-A555 PolarHBondContact O-N 3.25Å; A551-N597 HydrophobicContact CB-CB 4.11Å; A551-P600 HydrophobicContact CB-CG 4.38Å
552	E	80	Confident	71.8	Confident	84 Å²	84	67.1 Å²	67.1	39%	0.393	38%	0.382	S	S	.	.	H	α-helix	trans	-57.6	-42	174.2	-76.5	-169.5	148.1	0	0	113.1	E548 A549 Q550 S554 P600 R603	E548-E552 PolarHBondContact O-N 2.92Å; A549-E552 WeakPolarHBondContact O-CB 3.42Å; A549-E552 PolarHBondContact O-N 2.87Å; Q550-E552 VanDerWaalsContact C-N 3.33Å; Q550-E552 PolarHBondContact O-N 3.15Å; E552-S554 VanDerWaalsContact C-N 3.27Å; E552-S554 PolarHBondContact O-N 3.07Å; E552-P600 HydrophobicContact CB-CG 4.32Å; E552-P600 HydrophobicContact CG-CB 3.79Å; E552-P600 HydrophobicContact CG-CG 3.52Å; E552-R603 WeakPolarHBondContact OE1-CD 3.32Å; E552-R603 IonicContact OE1-CZ 2.91Å; E552-R603 IonicContact OE1-NE 3.14Å; E552-R603 IonicContact OE1-NH1 2.89Å; E552-R603 PolarHBondContact OE1-NH1 3.33Å; E552-R603 IonicContact OE2-NH1 3.45Å; E552-R603 PolarHBondContact OE2-NH1 3.16Å; E552-R603 VanDerWaalsContact OE2-NH1 3.14Å
553	T	73.8	Confident	69.7	Low	113 Å²	113	75.9 Å²	75.9	69%	0.693	42%	0.422	S	S	*	.	H	α-helix	trans	-71	-25.8	178.7	55.9	0	0	0	0	113	A549 Q550 A551	A549-T553 PolarHBondContact O-N 3.43Å; Q550-T553 PolarHBondContact O-N 2.89Å; Q550-T553 PolarHBondContact O-OG1 3.26Å; A551-T553 VanDerWaalsContact C-N 3.32Å; A551-T553 PolarHBondContact O-N 2.95Å
554	S	66.6	Low	67.7	Low	68 Å²	68	82.5 Å²	82.5	48%	0.476	46%	0.457	S	S	.	.	H	α-helix	trans	-94.8	-11.6	-176	-51.3	0	0	0	0	113.5	Q550 A551 E552 T556 S557	Q550-S554 PolarHBondContact O-N 2.82Å; Q550-S554 VanDerWaalsContact O-N 3.16Å; Q550-S554 PolarHBondContact O-OG 2.84Å; A551-S554 CarbonylContact O-C 3.58Å; A551-S554 PolarHBondContact O-N 2.97Å; A551-S554 VanDerWaalsContact O-N 3.12Å; E552-S554 VanDerWaalsContact C-N 3.27Å; E552-S554 PolarHBondContact O-N 3.07Å; S554-T556 PolarHBondContact O-N 2.9Å; S554-S557 PolarHBondContact O-N 3.09Å; S554-S557 PolarHBondContact O-OG 3.3Å
555	A	56.9	Low	65.7	Low	69 Å²	69	84.6 Å²	84.6	57%	0.57	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	15.4	-175	0	0	0	0	0	115.7	A551	A551-A555 WeakPolarHBondContact O-CB 3.44Å; A551-A555 PolarHBondContact O-N 3.25Å
556	T	45	Very low	64.1	Low	144 Å²	144	89 Å²	89	88%	0.883	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-10.5	168.8	38.1	0	0	0	0	113.5	S554	S554-T556 PolarHBondContact O-N 2.9Å
557	S	43.4	Very low	62.7	Low	84 Å²	84	89.6 Å²	89.6	59%	0.587	51%	0.509	S	S	*	.	S	Bend	trans	-100.8	119.8	171.8	42.2	0	0	0	0	111.4	S554 E559	S554-S557 PolarHBondContact O-N 3.09Å; S554-S557 PolarHBondContact O-OG 3.3Å; S557-E559 PolarHBondContact O-N 2.84Å
558	E	48.4	Very low	61.3	Low	196 Å²	196	91 Å²	91	92%	0.916	52%	0.518	S	S	*	.			trans	-62.4	100.4	169.2	-72.1	-179.1	166.9	0	0	109.2	Q560	E558-Q560 PolarHBondContact O-N 3.1Å
559	E	52.7	Low	60	Low	125 Å²	125	96.3 Å²	96.3	58%	0.584	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-67.6	128.4	171.4	-103.9	179	177.2	0	0	110	S557 R598	S557-E559 PolarHBondContact O-N 2.84Å; E559-R598 IonicContact OE2-CZ 3.28Å; E559-R598 IonicContact OE2-NH2 3.57Å; E559-R598 PolarHBondContact OE2-NH2 3.47Å
560	Q	46.9	Very low	59.2	Low	175 Å²	175	96.6 Å²	96.6	82%	0.818	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-60.2	143.5	176.3	-72.2	-170.5	-41.5	0	0	110.6	E558	E558-Q560 PolarHBondContact O-N 3.1Å
561	P	51.5	Low	58.6	Low	59 Å²	59	98 Å²	98	38%	0.383	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-58.9	149.6	174.2	-16.4	29.1	0	0	0	110.3	E563	P561-E563 PolarHBondContact O-N 3.31Å
562	P	53.4	Low	58	Low	40 Å²	40	103.3 Å²	103.3	26%	0.26	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-57.3	136.9	179.4	21.7	-31.2	0	0	0	111.5	N564 T565 G626	P562-N564 PolarHBondContact O-N 3.35Å; P562-T565 HydrophobicContact CG-CG2 4.46Å; P562-G626 WeakPolarHBondContact O-CA 3.49Å
563	E	46	Very low	57.8	Low	187 Å²	187	102 Å²	102	87%	0.874	59%	0.587	S	S	*	*	S	Bend	trans	-66.9	126	172.4	-79.1	-172.4	158	0	0	109.8	P561	P561-E563 PolarHBondContact O-N 3.31Å
564	N	49.1	Very low	58.3	Low	145 Å²	145	100.3 Å²	100.3	78%	0.775	57%	0.569	S	S	*	*			trans	44.9	89.2	172.7	-79.7	-22	0	0	0	116.1	P562	P562-N564 PolarHBondContact O-N 3.35Å
565	T	53.7	Low	59.3	Low	43 Å²	43	97.7 Å²	97.7	26%	0.264	55%	0.553	S	S	.	*			trans	-90.3	112.5	161.8	29.4	0	0	0	0	108.9	P562 A567 G626	P562-T565 HydrophobicContact CG-CG2 4.46Å; T565-A567 PolarHBondContact O-N 2.93Å; T565-G626 PolarHBondContact OG1-N 2.62Å
566	D	57	Low	60.9	Low	101 Å²	101	95 Å²	95	54%	0.54	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-56	132.7	172.1	-69.4	-31.8	0	0	0	109.6	K525	K525-D566 HydrophobicContact CD-CB 4.17Å; K525-D566 IonicContact NZ-OD2 3.45Å; K525-D566 PolarHBondContact NZ-OD2 3.14Å; K525-D566 VanDerWaalsContact NZ-OD2 3.15Å
567	A	61.8	Low	63.2	Low	82 Å²	82	88.1 Å²	88.1	68%	0.678	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-60.6	133.1	166.9	0	0	0	0	0	109	T565 S569	T565-A567 PolarHBondContact O-N 2.93Å; A567-S569 PolarHBondContact O-N 3.32Å
568	P	62.2	Low	65.7	Low	31 Å²	31	84.1 Å²	84.1	20%	0.201	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-60.6	131.5	176.8	17.1	-22.4	0	0	0	109.8	D573 Y574	P568-D573 HydrophobicContact CB-CB 3.71Å; P568-Y574 HydrophobicContact CB-CD1 4.18Å; P568-Y574 HydrophobicContact CB-CE1 4.01Å; P568-Y574 HydrophobicContact CG-CD1 3.71Å; P568-Y574 HydrophobicContact CG-CE1 3.21Å
569	S	64.4	Low	68	Low	112 Å²	112	74.8 Å²	74.8	78%	0.783	42%	0.415	S	S	*	.	S	Bend	trans	-82.4	-22.2	-178.2	71.8	0	0	0	0	112.1	A567 D573	A567-S569 PolarHBondContact O-N 3.32Å; S569-D573 WeakPolarHBondContact CA-OD2 3.2Å; S569-D573 WeakPolarHBondContact CB-OD2 3.31Å; S569-D573 PolarHBondContact N-OD2 2.82Å; S569-D573 PolarHBondContact OG-OD2 2.87Å
570	S	70.2	Confident	70.1	Confident	51 Å²	51	68.8 Å²	68.8	36%	0.357	39%	0.387	S	S	.	.	S	Bend	trans	-145.9	166.3	174.6	80.2	0	0	0	0	111.5	D572 D573	S570-D572 PolarHBondContact O-N 3Å; S570-D572 VanDerWaalsContact O-N 3.14Å; S570-D572 PolarHBondContact OG-N 3.38Å; S570-D573 PolarHBondContact N-OD2 2.94Å; S570-D573 WeakPolarHBondContact O-CB 3.31Å; S570-D573 PolarHBondContact O-N 3.46Å; S570-D573 VanDerWaalsContact O-N 3.08Å
571	N	67.4	Low	72.5	Confident	130 Å²	130	60.5 Å²	60.5	70%	0.695	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-61.3	-19.8	175	-72.8	-12.9	0	0	0	113.5	D573 Y574	N571-D573 VanDerWaalsContact C-N 3.25Å; N571-D573 PolarHBondContact O-N 3.5Å; N571-Y574 HydrophobicContact CB-CE2 4.39Å; N571-Y574 VanDerWaalsContact O-CD2 3.26Å; N571-Y574 WeakPolarHBondContact O-CD2 3.2Å
572	D	67.1	Low	74.7	Confident	131 Å²	131	58.4 Å²	58.4	70%	0.701	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-80.3	-9.2	179.3	-67	-12.9	0	0	0	112.1	S570	S570-D572 PolarHBondContact O-N 3Å; S570-D572 VanDerWaalsContact O-N 3.14Å; S570-D572 PolarHBondContact OG-N 3.38Å
573	D	76.2	Confident	76.7	Confident	55 Å²	55	63 Å²	63	29%	0.294	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-88.5	-9.3	-177.9	-61.3	-22	0	0	0	113.4	K525 P568 S569 S570 N571 G575	K525-D573 WeakPolarHBondContact CA-O 3.27Å; P568-D573 HydrophobicContact CB-CB 3.71Å; S569-D573 WeakPolarHBondContact CA-OD2 3.2Å; S569-D573 WeakPolarHBondContact CB-OD2 3.31Å; S569-D573 PolarHBondContact N-OD2 2.82Å; S569-D573 PolarHBondContact OG-OD2 2.87Å; S570-D573 PolarHBondContact N-OD2 2.94Å; S570-D573 WeakPolarHBondContact O-CB 3.31Å; S570-D573 PolarHBondContact O-N 3.46Å; S570-D573 VanDerWaalsContact O-N 3.08Å; N571-D573 VanDerWaalsContact C-N 3.25Å; N571-D573 PolarHBondContact O-N 3.5Å; D573-G575 PolarHBondContact O-N 3.14Å
574	Y	84.9	Confident	79	Confident	78 Å²	78	57.4 Å²	57.4	31%	0.306	34%	0.338	S	S	.	.			trans	-67.6	130.6	177.1	-65.1	-64.2	0	0	0	110.3	F523 P568 N571 W593	F523-Y574 HydrophobicContact CB-CD1 3.42Å; F523-Y574 VanDerWaalsContact CB-CD1 3.42Å; F523-Y574 HydrophobicContact CB-CE1 3.84Å; F523-Y574 HydrophobicContact CB-CG 3.85Å; F523-Y574 WeakPolarHBondContact O-CE1 3.5Å; P568-Y574 HydrophobicContact CB-CD1 4.18Å; P568-Y574 HydrophobicContact CB-CE1 4.01Å; P568-Y574 HydrophobicContact CG-CD1 3.71Å; P568-Y574 HydrophobicContact CG-CE1 3.21Å; N571-Y574 HydrophobicContact CB-CE2 4.39Å; N571-Y574 VanDerWaalsContact O-CD2 3.26Å; N571-Y574 WeakPolarHBondContact O-CD2 3.2Å; Y574-W593 WeakPolarHBondContact O-CH2 3.21Å
575	G	86.7	Confident	81.1	Confident	14 Å²	14	55.4 Å²	55.4	14%	0.144	32%	0.322	C	S	.	.			trans	-135.9	-7.4	-178.6	0	0	0	0	0	114.9	M524 D573 N594	M524-G575 PolarHBondContact O-N 2.65Å; D573-G575 PolarHBondContact O-N 3.14Å; G575-N594 WeakPolarHBondContact O-CB 3.47Å; G575-N594 PolarHBondContact O-ND2 2.85Å
576	K	91.1	Very high	83.1	Confident	11 Å²	11	59.3 Å²	59.3	5%	0.048	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162.3	174.6	79.4	-174.1	-154	-177.8	0	112	F523 M524 A526 D530 W593 N594 V595 L624	F523-K576 WeakPolarHBondContact CA-O 3.3Å; M524-K576 HydrophobicContact CB-CG 4.34Å; M524-K576 PolarHBondContact N-O 3.29Å; M524-K576 PolarHBondContact O-N 2.7Å; M524-K576 VanDerWaalsContact O-N 3.14Å; A526-K576 HydrophobicContact CB-CB 4.41Å; D530-K576 HydrophobicContact CB-CD 3.95Å; D530-K576 WeakPolarHBondContact OD1-CD 3.34Å; D530-K576 IonicContact OD1-NZ 3.89Å; D530-K576 PolarHBondContact OD1-NZ 2.77Å; D530-K576 WeakPolarHBondContact OD2-CD 3.49Å; D530-K576 IonicContact OD2-NZ 3.79Å; D530-K576 PolarHBondContact OD2-NZ 2.77Å; K576-W593 CarbonylContact C-O 3.59Å; K576-W593 WeakPolarHBondContact CA-O 3.22Å; K576-W593 WeakPolarHBondContact CB-O 3.48Å; K576-N594 HydrophobicContact CB-CB 3.74Å; K576-N594 WeakPolarHBondContact CB-O 3.49Å; K576-V595 HydrophobicContact CB-CG2 4.29Å; K576-V595 HydrophobicContact CD-CG2 4.44Å; K576-V595 HydrophobicContact CG-CG2 4.4Å; K576-L624 HydrophobicContact CD-CD2 4.46Å; K576-L624 HydrophobicContact CG-CD2 4.08Å
577	G	93	Very high	85	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.5	179.3	173.9	0	0	0	0	0	115.3	V522 W593	V522-G577 CarbonylContact O-C 3.46Å; V522-G577 WeakPolarHBondContact O-CA 3.48Å; G577-W593 PolarHBondContact N-O 3.5Å; G577-W593 PolarHBondContact O-N 2.87Å
578	V	95.9	Very high	86.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142	175.6	65.8	0	0	0	0	109.9	G521 V522 F580 V590 V591 L592 A619 F622 L624	G521-V578 WeakPolarHBondContact CA-O 3.27Å; V522-V578 HydrophobicContact CB-CG1 4.12Å; V522-V578 PolarHBondContact N-O 2.72Å; V522-V578 PolarHBondContact O-N 3.17Å; V578-F580 HydrophobicContact CB-CZ 4.3Å; V578-F580 HydrophobicContact CG1-CD2 4.44Å; V578-F580 HydrophobicContact CG1-CE1 4.5Å; V578-F580 HydrophobicContact CG1-CE2 3.56Å; V578-F580 HydrophobicContact CG1-CZ 3.59Å; V578-F580 HydrophobicContact CG2-CD1 4.29Å; V578-F580 HydrophobicContact CG2-CE1 3.72Å; V578-F580 HydrophobicContact CG2-CE2 4.14Å; V578-F580 HydrophobicContact CG2-CZ 3.64Å; V578-V590 HydrophobicContact CG2-CG1 3.63Å; V578-V591 CarbonylContact C-O 3.39Å; V578-V591 WeakPolarHBondContact CA-O 3.19Å; V578-L592 HydrophobicContact CB-CD2 4.09Å; V578-L592 HydrophobicContact CG2-CD2 3.73Å; V578-A619 HydrophobicContact CG1-CB 4.08Å; V578-F622 HydrophobicContact CB-CG 4.45Å; V578-F622 HydrophobicContact CG1-CD2 4.47Å; V578-F622 HydrophobicContact CG2-CD1 4.42Å; V578-F622 HydrophobicContact CG2-CD2 4.21Å; V578-F622 HydrophobicContact CG2-CE1 4.46Å; V578-F622 HydrophobicContact CG2-CE2 4.25Å; V578-F622 HydrophobicContact CG2-CG 4.29Å; V578-F622 HydrophobicContact CG2-CZ 4.37Å; V578-L624 HydrophobicContact CB-CD1 4.24Å; V578-L624 HydrophobicContact CG1-CD1 3.59Å
579	I	96.3	Very high	88.4	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119	176.3	-44.4	172.7	0	0	0	108.1	L369 P370 L373 T519 F523 Y581 V590 V591	L369-I579 HydrophobicContact CD2-CD1 3.98Å; P370-I579 HydrophobicContact CG-CD1 4.14Å; P370-I579 HydrophobicContact CG-CG2 4.14Å; L373-I579 HydrophobicContact CD1-CD1 3.25Å; L373-I579 HydrophobicContact CD1-CG1 4.06Å; T519-I579 HydrophobicContact CG2-CG2 4.16Å; F523-I579 HydrophobicContact CE1-CG1 4.25Å; F523-I579 HydrophobicContact CZ-CG1 4.14Å; I579-Y581 HydrophobicContact CB-CE2 4.09Å; I579-Y581 HydrophobicContact CG2-CD2 4.42Å; I579-Y581 HydrophobicContact CG2-CE2 3.79Å; I579-V590 CarbonylContact O-C 3.43Å; I579-V590 VanDerWaalsContact O-CA 3.29Å; I579-V590 WeakPolarHBondContact O-CA 3.45Å; I579-V591 HydrophobicContact CB-CB 4.19Å; I579-V591 HydrophobicContact CD1-CB 4.1Å; I579-V591 HydrophobicContact CD1-CG1 4.06Å; I579-V591 HydrophobicContact CG1-CB 4.39Å; I579-V591 PolarHBondContact N-O 3.21Å; I579-V591 PolarHBondContact O-N 3.36Å
580	F	97.4	Very high	90	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.3	175.1	-55.2	-73.9	0	0	0	110.1	T519 V520 V578 L582 V587 V590 L605 F615 V618 A619 F622	T519-F580 CarbonylContact C-O 3.55Å; T519-F580 WeakPolarHBondContact CA-O 3.24Å; V520-F580 PolarHBondContact N-O 2.74Å; V520-F580 PolarHBondContact O-N 3.25Å; V578-F580 HydrophobicContact CB-CZ 4.3Å; V578-F580 HydrophobicContact CG1-CD2 4.44Å; V578-F580 HydrophobicContact CG1-CE1 4.5Å; V578-F580 HydrophobicContact CG1-CE2 3.56Å; V578-F580 HydrophobicContact CG1-CZ 3.59Å; V578-F580 HydrophobicContact CG2-CD1 4.29Å; V578-F580 HydrophobicContact CG2-CE1 3.72Å; V578-F580 HydrophobicContact CG2-CE2 4.14Å; V578-F580 HydrophobicContact CG2-CZ 3.64Å; F580-L582 HydrophobicContact CB-CD2 4.18Å; F580-V587 HydrophobicContact CB-CG2 4.38Å; F580-V587 HydrophobicContact CD1-CG1 4.18Å; F580-V587 HydrophobicContact CD1-CG2 4.22Å; F580-V590 HydrophobicContact CD1-CG2 4.14Å; F580-L605 HydrophobicContact CD1-CD2 3.87Å; F580-L605 HydrophobicContact CE1-CD2 3.59Å; F580-F615 HydrophobicContact CB-CD1 4.04Å; F580-F615 HydrophobicContact CB-CE1 3.93Å; F580-F615 HydrophobicContact CD1-CD1 4.44Å; F580-F615 HydrophobicContact CD2-CB 4.38Å; F580-F615 AromaticContact CD2-CD1 3.48Å; F580-F615 HydrophobicContact CD2-CD1 3.48Å; F580-F615 VanDerWaalsContact CD2-CD1 3.48Å; F580-F615 HydrophobicContact CD2-CE1 4.21Å; F580-F615 HydrophobicContact CD2-CG 4.29Å; F580-F615 HydrophobicContact CE2-CB 4.5Å; F580-F615 AromaticContact CE2-CD1 4Å; F580-F615 HydrophobicContact CE2-CD1 4Å; F580-F615 AromaticContact CG-CD1 3.73Å; F580-F615 HydrophobicContact CG-CD1 3.73Å; F580-F615 AromaticContact CG-CE1 3.98Å; F580-F615 HydrophobicContact CG-CE1 3.98Å; F580-V618 HydrophobicContact CE1-CG1 3.85Å; F580-V618 HydrophobicContact CZ-CB 4.34Å; F580-V618 HydrophobicContact CZ-CG1 3.77Å; F580-A619 HydrophobicContact CE2-CB 4.34Å; F580-F622 HydrophobicContact CE1-CD2 4.45Å; F580-F622 AromaticContact CE1-CE2 3.7Å; F580-F622 HydrophobicContact CE1-CE2 3.7Å; F580-F622 HydrophobicContact CE1-CZ 4.24Å; F580-F622 HydrophobicContact CZ-CD2 4.15Å; F580-F622 AromaticContact CZ-CE2 3.82Å; F580-F622 HydrophobicContact CZ-CE2 3.82Å
581	Y	97.7	Very high	91.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.1	175.4	-65.9	-105.2	0	0	0	109.2	V368 I512 V513 D514 L517 T519 I579 V588 G589 V591	V368-Y581 WeakPolarHBondContact O-CE1 3.43Å; V368-Y581 PolarHBondContact O-OH 3.39Å; I512-Y581 WeakPolarHBondContact O-CB 3.42Å; V513-Y581 HydrophobicContact CB-CD2 4.39Å; V513-Y581 HydrophobicContact CB-CE1 4.32Å; V513-Y581 HydrophobicContact CB-CE2 4.12Å; V513-Y581 HydrophobicContact CG1-CD2 3.94Å; V513-Y581 HydrophobicContact CG1-CE2 3.89Å; V513-Y581 HydrophobicContact CG1-CG 4.49Å; D514-Y581 VanDerWaalsContact O-CD1 3.3Å; D514-Y581 WeakPolarHBondContact O-CD1 3.37Å; D514-Y581 WeakPolarHBondContact O-CE1 3.47Å; L517-Y581 HydrophobicContact CB-CD1 4.48Å; T519-Y581 HydrophobicContact CG2-CD1 3.55Å; T519-Y581 HydrophobicContact CG2-CE1 3.65Å; T519-Y581 HydrophobicContact CG2-CG 4.01Å; I579-Y581 HydrophobicContact CB-CE2 4.09Å; I579-Y581 HydrophobicContact CG2-CD2 4.42Å; I579-Y581 HydrophobicContact CG2-CE2 3.79Å; Y581-V588 WeakPolarHBondContact O-CG2 3.42Å; Y581-V588 PolarHBondContact O-N 3.33Å; Y581-G589 PolarHBondContact N-O 2.81Å; Y581-G589 PolarHBondContact O-N 2.97Å; Y581-V591 HydrophobicContact CE2-CB 4.06Å; Y581-V591 HydrophobicContact CE2-CG2 3.59Å
582	L	97.2	Very high	92.7	Very high	15 Å²	15	36.2 Å²	36.2	8%	0.079	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.3	-165.3	-52.5	-177.8	0	0	0	113.2	P518 V520 F580 R586 V587 F615	P518-L582 HydrophobicContact CB-CB 4.4Å; P518-L582 PolarHBondContact O-N 3.42Å; V520-L582 HydrophobicContact CG2-CD1 3.89Å; F580-L582 HydrophobicContact CB-CD2 4.18Å; L582-R586 WeakPolarHBondContact CA-O 3.45Å; L582-V587 HydrophobicContact CD2-CG2 3.96Å; L582-F615 HydrophobicContact CD1-CE2 3.92Å; L582-F615 HydrophobicContact CD1-CZ 3.85Å; L582-F615 HydrophobicContact CD2-CE1 3.76Å; L582-F615 HydrophobicContact CD2-CE2 4.3Å; L582-F615 HydrophobicContact CD2-CZ 3.39Å; L582-F615 HydrophobicContact CG-CZ 4.28Å
583	R	96.1	Very high	94	Very high	137 Å²	137	30.2 Å²	30.2	52%	0.517	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	108.4	156.9	-73.4	-175.4	-178.2	166.2	-4	108	L517 K585 R586 V588	L517-R583 HydrophobicContact CD2-CG 4.32Å; R583-K585 PolarHBondContact O-N 2.73Å; R583-R586 PolarHBondContact N-O 3.27Å; R583-R586 PolarHBondContact O-N 2.83Å; R583-V588 HydrophobicContact CB-CG1 3.91Å; R583-V588 HydrophobicContact CG-CG1 3.97Å; R583-V588 HydrophobicContact CG-CG2 4.01Å
584	G	93.4	Very high	94.8	Very high	70 Å²	70	28 Å²	28	72%	0.722	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	-126.6	-164.2	0	0	0	0	0	110
585	K	93.2	Very high	95.2	Very high	102 Å²	102	24.6 Å²	24.6	44%	0.443	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	7.8	176.3	-65.5	-174.3	178.2	-175	0	114.1	R583 E611 H612 D613	R583-K585 PolarHBondContact O-N 2.73Å; K585-E611 HydrophobicContact CB-CB 3.86Å; K585-E611 HydrophobicContact CB-CG 3.96Å; K585-E611 WeakPolarHBondContact O-CA 3.44Å; K585-H612 PolarHBondContact O-N 2.92Å; K585-D613 WeakPolarHBondContact CD-OD1 3.34Å; K585-D613 WeakPolarHBondContact CE-OD1 3.26Å; K585-D613 IonicContact NZ-OD1 2.97Å; K585-D613 PolarHBondContact NZ-OD1 3.1Å
586	R	95.3	Very high	95.5	Very high	125 Å²	125	25 Å²	25	47%	0.472	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.4	-177.3	-61.3	-177.8	-172.5	172.1	4.5	110.7	L582 R583 V588 G609 E611	L582-R586 WeakPolarHBondContact CA-O 3.45Å; R583-R586 PolarHBondContact N-O 3.27Å; R583-R586 PolarHBondContact O-N 2.83Å; R586-V588 PolarHBondContact O-N 3.48Å; R586-G609 VanDerWaalsContact CD-O 3.28Å; R586-G609 WeakPolarHBondContact CD-O 3.28Å; R586-E611 HydrophobicContact CG-CG 3.63Å; R586-E611 IonicContact CZ-OE1 3.49Å; R586-E611 IonicContact NE-OE1 3.68Å; R586-E611 PolarHBondContact NE-OE1 3.37Å; R586-E611 IonicContact NH2-OE1 2.89Å; R586-E611 PolarHBondContact NH2-OE1 2.96Å
587	V	97	Very high	95.6	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.024	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	120.3	172.9	-176.4	0	0	0	0	109	F580 L582 G589 V590 L605 I606 F615	F580-V587 HydrophobicContact CB-CG2 4.38Å; F580-V587 HydrophobicContact CD1-CG1 4.18Å; F580-V587 HydrophobicContact CD1-CG2 4.22Å; L582-V587 HydrophobicContact CD2-CG2 3.96Å; V587-G589 WeakPolarHBondContact CG1-O 3.06Å; V587-V590 HydrophobicContact CG1-CG2 3.72Å; V587-L605 HydrophobicContact CB-CD2 4.25Å; V587-L605 HydrophobicContact CB-CG 4.15Å; V587-L605 HydrophobicContact CG1-CD2 3.98Å; V587-L605 HydrophobicContact CG1-CG 4.26Å; V587-L605 HydrophobicContact CG2-CD2 4.07Å; V587-L605 HydrophobicContact CG2-CG 4.22Å; V587-I606 HydrophobicContact CG1-CG1 4.27Å; V587-F615 HydrophobicContact CG2-CE1 3.66Å; V587-F615 HydrophobicContact CG2-CZ 4.25Å
588	V	97.4	Very high	95.6	Very high	16 Å²	16	28.6 Å²	28.6	10%	0.097	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-12	176.5	-62.1	0	0	0	0	112.8	L462 G511 I512 L517 Y581 R583 R586	L462-V588 HydrophobicContact CD2-CB 4.32Å; G511-V588 CarbonylContact C-O 3.5Å; G511-V588 WeakPolarHBondContact CA-O 3.45Å; I512-V588 HydrophobicContact CB-CG2 4.27Å; I512-V588 PolarHBondContact N-O 3.35Å; L517-V588 HydrophobicContact CD1-CG2 3.96Å; Y581-V588 WeakPolarHBondContact O-CG2 3.42Å; Y581-V588 PolarHBondContact O-N 3.33Å; R583-V588 HydrophobicContact CB-CG1 3.91Å; R583-V588 HydrophobicContact CG-CG1 3.97Å; R583-V588 HydrophobicContact CG-CG2 4.01Å; R586-V588 PolarHBondContact O-N 3.48Å
589	G	98	Very high	95.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	156.8	175.3	0	0	0	0	0	111.7	I510 I512 Y581 V587	I510-G589 CarbonylContact O-C 3.57Å; I510-G589 WeakPolarHBondContact O-CA 3.24Å; I512-G589 WeakPolarHBondContact O-CA 3.4Å; Y581-G589 PolarHBondContact N-O 2.81Å; Y581-G589 PolarHBondContact O-N 2.97Å; V587-G589 WeakPolarHBondContact CG1-O 3.06Å
590	V	98	Very high	95.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	135.6	177.9	-178.1	0	0	0	0	108.5	A509 I510 V578 I579 F580 V587 L592 A602 L605 I606 F622	A509-V590 WeakPolarHBondContact CA-O 3.4Å; I510-V590 HydrophobicContact CG2-CB 3.97Å; I510-V590 PolarHBondContact N-O 3.26Å; I510-V590 PolarHBondContact O-N 3.35Å; V578-V590 HydrophobicContact CG2-CG1 3.63Å; I579-V590 CarbonylContact O-C 3.43Å; I579-V590 VanDerWaalsContact O-CA 3.29Å; I579-V590 WeakPolarHBondContact O-CA 3.45Å; F580-V590 HydrophobicContact CD1-CG2 4.14Å; V587-V590 HydrophobicContact CG1-CG2 3.72Å; V590-L592 HydrophobicContact CG1-CD2 4.04Å; V590-L592 HydrophobicContact CG1-CG 4.31Å; V590-A602 HydrophobicContact CB-CB 4.13Å; V590-A602 HydrophobicContact CG1-CB 4.2Å; V590-A602 HydrophobicContact CG2-CB 4.23Å; V590-L605 HydrophobicContact CG2-CD2 4.25Å; V590-I606 HydrophobicContact CG2-CD1 4.36Å; V590-I606 HydrophobicContact CG2-CG1 4.49Å; V590-F622 HydrophobicContact CG1-CZ 4.49Å
591	V	97.7	Very high	95.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.4	163.1	170.9	0	0	0	0	108.5	V368 L369 F507 E508 A509 V513 V578 I579 Y581	V368-V591 HydrophobicContact CG1-CG2 4.1Å; L369-V591 HydrophobicContact CD2-CG1 4.01Å; F507-V591 HydrophobicContact CD1-CG1 4.31Å; E508-V591 CarbonylContact O-C 3.53Å; E508-V591 VanDerWaalsContact O-CA 3.31Å; E508-V591 WeakPolarHBondContact O-CA 3.35Å; A509-V591 HydrophobicContact CB-CG2 4.05Å; V513-V591 HydrophobicContact CB-CG2 4.03Å; V513-V591 HydrophobicContact CG1-CG2 3.71Å; V578-V591 CarbonylContact C-O 3.39Å; V578-V591 WeakPolarHBondContact CA-O 3.19Å; I579-V591 HydrophobicContact CB-CB 4.19Å; I579-V591 HydrophobicContact CD1-CB 4.1Å; I579-V591 HydrophobicContact CD1-CG1 4.06Å; I579-V591 HydrophobicContact CG1-CB 4.39Å; I579-V591 PolarHBondContact N-O 3.21Å; I579-V591 PolarHBondContact O-N 3.36Å; Y581-V591 HydrophobicContact CE2-CB 4.06Å; Y581-V591 HydrophobicContact CE2-CG2 3.59Å
592	L	96.5	Very high	95.2	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.4	172.5	-61.2	177.3	0	0	0	107.9	F507 E508 V578 V590 V595 R598 M599 F622	F507-L592 CarbonylContact C-O 3.56Å; F507-L592 VanDerWaalsContact CA-O 3.28Å; F507-L592 WeakPolarHBondContact CA-O 3.43Å; E508-L592 HydrophobicContact CB-CB 4.2Å; E508-L592 PolarHBondContact N-O 2.84Å; E508-L592 PolarHBondContact O-N 3.18Å; V578-L592 HydrophobicContact CB-CD2 4.09Å; V578-L592 HydrophobicContact CG2-CD2 3.73Å; V590-L592 HydrophobicContact CG1-CD2 4.04Å; V590-L592 HydrophobicContact CG1-CG 4.31Å; L592-V595 HydrophobicContact CB-CB 4.16Å; L592-V595 HydrophobicContact CD2-CB 4.24Å; L592-V595 HydrophobicContact CD2-CG1 4.18Å; L592-R598 HydrophobicContact CD1-CB 4.23Å; L592-M599 HydrophobicContact CD1-CE 4.26Å; L592-F622 HydrophobicContact CD2-CD1 3.51Å; L592-F622 HydrophobicContact CD2-CE1 3.74Å; L592-F622 HydrophobicContact CD2-CG 4.38Å
593	W	94.3	Very high	95.1	Very high	6 Å²	6	31.8 Å²	31.8	2%	0.023	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.3	173.7	168.9	36.2	0	0	0	107.8	L373 W376 F507 F523 Y574 K576 G577 V595	L373-W593 HydrophobicContact CD2-CD2 4.25Å; L373-W593 HydrophobicContact CD2-CE3 3.67Å; L373-W593 HydrophobicContact CD2-CH2 4.22Å; L373-W593 HydrophobicContact CD2-CZ3 3.66Å; W376-W593 AromaticContact CH2-CZ2 3.96Å; W376-W593 HydrophobicContact CH2-CZ2 3.96Å; W376-W593 HydrophobicContact CZ2-CZ2 4.36Å; W376-W593 HydrophobicContact CZ3-CZ2 4.09Å; F507-W593 HydrophobicContact CD1-CB 3.98Å; F507-W593 HydrophobicContact CD1-CG 4.26Å; F507-W593 HydrophobicContact CE1-CB 3.85Å; F507-W593 AromaticContact CE1-CD1 3.52Å; F507-W593 AromaticContact CE1-CG 3.72Å; F507-W593 HydrophobicContact CE1-CG 3.72Å; F507-W593 AromaticContact CZ-CD1 3.8Å; F507-W593 HydrophobicContact CZ-CG 4.36Å; F523-W593 AromaticContact CD1-CE3 3.96Å; F523-W593 HydrophobicContact CD1-CE3 3.96Å; F523-W593 HydrophobicContact CD1-CZ3 4.06Å; F523-W593 HydrophobicContact CE1-CE3 4.22Å; Y574-W593 WeakPolarHBondContact O-CH2 3.21Å; K576-W593 CarbonylContact C-O 3.59Å; K576-W593 WeakPolarHBondContact CA-O 3.22Å; K576-W593 WeakPolarHBondContact CB-O 3.48Å; G577-W593 PolarHBondContact N-O 3.5Å; G577-W593 PolarHBondContact O-N 2.87Å; W593-V595 PolarHBondContact O-N 3.41Å
594	N	93.5	Very high	95	Very high	9 Å²	9	31.6 Å²	31.6	5%	0.048	16%	0.162	C	C	.	.	S	Bend	trans	52.1	35.9	-176.6	-77.7	-11.2	0	0	0	113.6	E504 G506 D530 G575 K576 F596	E504-N594 PolarHBondContact O-ND2 3.46Å; G506-N594 PolarHBondContact N-OD1 3.07Å; G506-N594 PolarHBondContact O-N 3.26Å; G506-N594 PolarHBondContact O-OD1 3.14Å; D530-N594 VanDerWaalsContact O-CB 3.29Å; D530-N594 WeakPolarHBondContact O-CB 3.49Å; D530-N594 VanDerWaalsContact O-CG 3.23Å; G575-N594 WeakPolarHBondContact O-CB 3.47Å; G575-N594 PolarHBondContact O-ND2 2.85Å; K576-N594 HydrophobicContact CB-CB 3.74Å; K576-N594 WeakPolarHBondContact CB-O 3.49Å; N594-F596 HydrophobicContact CB-CZ 4.47Å
595	V	94.2	Very high	95	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.03	13%	0.129	C	C	.	.			trans	-126.5	121.9	172	176.4	0	0	0	0	106.9	K576 L592 W593 R598 F622 L624	K576-V595 HydrophobicContact CB-CG2 4.29Å; K576-V595 HydrophobicContact CD-CG2 4.44Å; K576-V595 HydrophobicContact CG-CG2 4.4Å; L592-V595 HydrophobicContact CB-CB 4.16Å; L592-V595 HydrophobicContact CD2-CB 4.24Å; L592-V595 HydrophobicContact CD2-CG1 4.18Å; W593-V595 PolarHBondContact O-N 3.41Å; V595-R598 HydrophobicContact CG1-CB 4.05Å; V595-R598 HydrophobicContact CG1-CG 3.77Å; V595-F622 HydrophobicContact CG1-CB 4.41Å; V595-L624 HydrophobicContact CG2-CD2 3.77Å
596	F	93	Very high	95.1	Very high	22 Å²	22	24 Å²	24	10%	0.096	11%	0.109	C	C	.	.			trans	-127.5	163.1	-172.7	-45.1	-57.7	0	0	0	110.8	E508 T531 P532 L535 N594 R598	E508-F596 WeakPolarHBondContact OE1-CD1 3.31Å; T531-F596 WeakPolarHBondContact O-CE2 3.4Å; P532-F596 HydrophobicContact CG-CZ 4.22Å; L535-F596 HydrophobicContact CB-CD2 4.21Å; L535-F596 HydrophobicContact CD1-CB 4.03Å; L535-F596 HydrophobicContact CD2-CB 3.91Å; L535-F596 HydrophobicContact CD2-CD1 4.26Å; L535-F596 HydrophobicContact CD2-CD2 4.44Å; L535-F596 HydrophobicContact CD2-CG 3.93Å; L535-F596 HydrophobicContact CG-CB 4.45Å; N594-F596 HydrophobicContact CB-CZ 4.47Å; F596-R598 WeakPolarHBondContact O-CG 2.86Å; F596-R598 PolarHBondContact O-N 3.25Å
597	N	91.9	Very high	95	Very high	58 Å²	58	21.2 Å²	21.2	31%	0.31	10%	0.103	S	C	.	.	S	Bend	trans	58.6	26.9	-173.6	-53.6	-42	0	0	0	113.2	E548 A551	E548-N597 WeakPolarHBondContact OE1-CA 3.25Å; E548-N597 PolarHBondContact OE1-N 3.22Å; E548-N597 WeakPolarHBondContact OE2-CA 3.44Å; A551-N597 HydrophobicContact CB-CB 4.11Å
598	R	93.9	Very high	94.9	Very high	30 Å²	30	24.5 Å²	24.5	11%	0.113	12%	0.117	C	C	.	.			trans	-125.4	4.8	-176.9	-59.2	-67.3	160.5	177.8	-16.2	113.3	E548 E559 L592 V595 F596 P600 I601 A602 F622 N623	E548-R598 PolarHBondContact OE2-N 2.68Å; E559-R598 IonicContact OE2-CZ 3.28Å; E559-R598 IonicContact OE2-NH2 3.57Å; E559-R598 PolarHBondContact OE2-NH2 3.47Å; L592-R598 HydrophobicContact CD1-CB 4.23Å; V595-R598 HydrophobicContact CG1-CB 4.05Å; V595-R598 HydrophobicContact CG1-CG 3.77Å; F596-R598 WeakPolarHBondContact O-CG 2.86Å; F596-R598 PolarHBondContact O-N 3.25Å; R598-P600 VanDerWaalsContact C-N 3.35Å; R598-I601 WeakPolarHBondContact O-CB 3.25Å; R598-I601 PolarHBondContact O-N 2.95Å; R598-I601 VanDerWaalsContact O-N 3.17Å; R598-A602 PolarHBondContact O-N 3.21Å; R598-F622 HydrophobicContact CB-CD1 3.79Å; R598-F622 HydrophobicContact CB-CE1 4.33Å; R598-F622 HydrophobicContact CG-CD1 4.48Å; R598-N623 VanDerWaalsContact CZ-CG 3.44Å; R598-N623 PolarHBondContact NH1-OD1 3Å; R598-N623 PolarHBondContact NH2-ND2 3.31Å
599	M	95.1	Very high	94.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.3	-36.9	171.4	-166.4	55.8	58	0	0	113.9	M496 E508 I510 E548 L592 I601 A602 R603	M496-M599 HydrophobicContact CB-CE 3.98Å; M496-M599 HydrophobicContact CB-CG 3.92Å; M496-M599 HydrophobicContact CB-SD 3.83Å; M496-M599 HydrophobicContact CE-CE 4.15Å; M496-M599 HydrophobicContact CG-CG 4.44Å; M496-M599 HydrophobicContact SD-CB 4.46Å; M496-M599 HydrophobicContact SD-CG 3.91Å; E508-M599 HydrophobicContact CB-CE 3.58Å; E508-M599 VanDerWaalsContact OE2-CE 3.31Å; E508-M599 WeakPolarHBondContact OE2-CE 3.48Å; I510-M599 HydrophobicContact CB-SD 3.65Å; I510-M599 HydrophobicContact CD1-SD 3.74Å; I510-M599 HydrophobicContact CG1-SD 4.29Å; I510-M599 HydrophobicContact CG2-CE 4.48Å; I510-M599 HydrophobicContact CG2-SD 3.63Å; E548-M599 HydrophobicContact CB-CB 4Å; E548-M599 VanDerWaalsContact CD-CB 3.49Å; E548-M599 HydrophobicContact CG-CB 3.76Å; E548-M599 WeakPolarHBondContact OE2-CB 3.47Å; E548-M599 PolarHBondContact OE2-N 2.63Å; L592-M599 HydrophobicContact CD1-CE 4.26Å; M599-I601 PolarHBondContact O-N 3.37Å; M599-A602 PolarHBondContact O-N 3.4Å; M599-A602 VanDerWaalsContact O-N 3.16Å; M599-A602 HydrophobicContact SD-CB 4.18Å; M599-R603 PolarHBondContact O-N 3.12Å
600	P	93.7	Very high	94.3	Very high	23 Å²	23	31.8 Å²	31.8	15%	0.149	15%	0.15	C	C	.	.	H	α-helix	trans	-54.7	-38.6	174.5	-20	22.6	0	0	0	112.9	E548 A551 E552 R598 K604	E548-P600 VanDerWaalsContact OE2-CD 3.32Å; E548-P600 WeakPolarHBondContact OE2-CD 3.41Å; A551-P600 HydrophobicContact CB-CG 4.38Å; E552-P600 HydrophobicContact CB-CG 4.32Å; E552-P600 HydrophobicContact CG-CB 3.79Å; E552-P600 HydrophobicContact CG-CG 3.52Å; R598-P600 VanDerWaalsContact C-N 3.35Å; P600-K604 WeakPolarHBondContact O-CB 3.16Å; P600-K604 PolarHBondContact O-N 3.15Å
601	I	93.8	Very high	94.2	Very high	42 Å²	42	37.2 Å²	37.2	22%	0.215	18%	0.176	C	C	.	.	H	α-helix	trans	-71.1	-44.3	-179.5	-59.9	-179.2	0	0	0	109.9	R598 M599 R603 K604 L605 L621 F622	R598-I601 WeakPolarHBondContact O-CB 3.25Å; R598-I601 PolarHBondContact O-N 2.95Å; R598-I601 VanDerWaalsContact O-N 3.17Å; M599-I601 PolarHBondContact O-N 3.37Å; I601-R603 PolarHBondContact O-N 3.33Å; I601-K604 PolarHBondContact O-N 3.29Å; I601-L605 WeakPolarHBondContact O-CB 3.41Å; I601-L605 PolarHBondContact O-N 2.88Å; I601-L621 WeakPolarHBondContact CD1-O 3.1Å; I601-L621 HydrophobicContact CG2-CB 3.68Å; I601-L621 HydrophobicContact CG2-CD1 4.26Å; I601-F622 HydrophobicContact CB-CE1 4.31Å; I601-F622 HydrophobicContact CB-CZ 4.48Å; I601-F622 HydrophobicContact CG2-CE1 4.13Å; I601-F622 HydrophobicContact CG2-CE2 4.18Å; I601-F622 HydrophobicContact CG2-CZ 3.88Å
602	A	95.6	Very high	93.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-41.6	175.6	0	0	0	0	0	112.4	I510 V590 R598 M599 L605 I606 F622	I510-A602 HydrophobicContact CG2-CB 3.72Å; V590-A602 HydrophobicContact CB-CB 4.13Å; V590-A602 HydrophobicContact CG1-CB 4.2Å; V590-A602 HydrophobicContact CG2-CB 4.23Å; R598-A602 PolarHBondContact O-N 3.21Å; M599-A602 PolarHBondContact O-N 3.4Å; M599-A602 VanDerWaalsContact O-N 3.16Å; M599-A602 HydrophobicContact SD-CB 4.18Å; A602-L605 PolarHBondContact O-N 2.89Å; A602-I606 WeakPolarHBondContact O-CG1 3.27Å; A602-I606 PolarHBondContact O-N 2.88Å; A602-I606 VanDerWaalsContact O-N 3.14Å; A602-F622 HydrophobicContact CB-CE1 4.07Å; A602-F622 HydrophobicContact CB-CZ 4.26Å
603	R	95.1	Very high	93.6	Very high	17 Å²	17	45 Å²	45	6%	0.064	22%	0.216	C	C	.	.	H	α-helix	trans	-56.4	-53.6	172.2	-80.1	176.6	175.7	144.8	6.1	111	D471 H493 Q494 I510 E552 M599 I601 L605 I606 M607	D471-R603 IonicContact OD2-NH2 2.65Å; D471-R603 PolarHBondContact OD2-NH2 3.32Å; H493-R603 PolarHBondContact CE1-NH2 2.81Å; Q494-R603 HydrophobicContact CB-CG 4.27Å; Q494-R603 PolarHBondContact O-NE 2.74Å; Q494-R603 PolarHBondContact OE1-O 2.79Å; I510-R603 HydrophobicContact CD1-CB 4.26Å; I510-R603 HydrophobicContact CD1-CG 3.21Å; E552-R603 WeakPolarHBondContact OE1-CD 3.32Å; E552-R603 IonicContact OE1-CZ 2.91Å; E552-R603 IonicContact OE1-NE 3.14Å; E552-R603 IonicContact OE1-NH1 2.89Å; E552-R603 PolarHBondContact OE1-NH1 3.33Å; E552-R603 IonicContact OE2-NH1 3.45Å; E552-R603 PolarHBondContact OE2-NH1 3.16Å; E552-R603 VanDerWaalsContact OE2-NH1 3.14Å; M599-R603 PolarHBondContact O-N 3.12Å; I601-R603 PolarHBondContact O-N 3.33Å; R603-L605 VanDerWaalsContact C-N 3.32Å; R603-L605 PolarHBondContact O-N 3.28Å; R603-I606 PolarHBondContact O-N 3.33Å; R603-M607 VanDerWaalsContact O-CB 3.28Å; R603-M607 WeakPolarHBondContact O-CB 3.4Å; R603-M607 PolarHBondContact O-N 3.39Å
604	K	93.9	Very high	93.5	Very high	132 Å²	132	48.6 Å²	48.6	57%	0.574	24%	0.236	S	C	*	.	H	α-helix	trans	-57.2	-44.5	179.2	-174.5	175.2	177.4	179.6	0	112	P600 I601 I606 M607 E608	P600-K604 WeakPolarHBondContact O-CB 3.16Å; P600-K604 PolarHBondContact O-N 3.15Å; I601-K604 PolarHBondContact O-N 3.29Å; K604-I606 PolarHBondContact O-N 3.03Å; K604-M607 PolarHBondContact O-N 3.18Å; K604-E608 WeakPolarHBondContact CE-OE1 3.48Å; K604-E608 HydrophobicContact CG-CG 4.32Å; K604-E608 WeakPolarHBondContact O-CB 2.97Å; K604-E608 WeakPolarHBondContact O-CG 3.19Å; K604-E608 PolarHBondContact O-N 3.07Å
605	L	94.1	Very high	93.4	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-58	-48.6	179.5	-176.1	64.4	0	0	0	112.2	F580 V587 V590 I601 A602 R603 G609 H612 V618 F622	F580-L605 HydrophobicContact CD1-CD2 3.87Å; F580-L605 HydrophobicContact CE1-CD2 3.59Å; V587-L605 HydrophobicContact CB-CD2 4.25Å; V587-L605 HydrophobicContact CB-CG 4.15Å; V587-L605 HydrophobicContact CG1-CD2 3.98Å; V587-L605 HydrophobicContact CG1-CG 4.26Å; V587-L605 HydrophobicContact CG2-CD2 4.07Å; V587-L605 HydrophobicContact CG2-CG 4.22Å; V590-L605 HydrophobicContact CG2-CD2 4.25Å; I601-L605 WeakPolarHBondContact O-CB 3.41Å; I601-L605 PolarHBondContact O-N 2.88Å; A602-L605 PolarHBondContact O-N 2.89Å; R603-L605 VanDerWaalsContact C-N 3.32Å; R603-L605 PolarHBondContact O-N 3.28Å; L605-G609 PolarHBondContact O-N 3.31Å; L605-H612 WeakPolarHBondContact CD1-NE2 3.35Å; L605-V618 HydrophobicContact CD1-CG1 3.95Å; L605-V618 HydrophobicContact CD2-CG1 3.87Å; L605-F622 HydrophobicContact CD2-CE2 4.45Å; L605-F622 HydrophobicContact CD2-CZ 4.43Å
606	I	95.4	Very high	93	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-69.6	-40.6	178.5	-62.7	169.9	0	0	0	110.8	I510 V587 V590 A602 R603 K604 E608 G609	I510-I606 HydrophobicContact CB-CD1 4.43Å; I510-I606 HydrophobicContact CG1-CD1 4.14Å; I510-I606 HydrophobicContact CG2-CD1 3.8Å; V587-I606 HydrophobicContact CG1-CG1 4.27Å; V590-I606 HydrophobicContact CG2-CD1 4.36Å; V590-I606 HydrophobicContact CG2-CG1 4.49Å; A602-I606 WeakPolarHBondContact O-CG1 3.27Å; A602-I606 PolarHBondContact O-N 2.88Å; A602-I606 VanDerWaalsContact O-N 3.14Å; R603-I606 PolarHBondContact O-N 3.33Å; K604-I606 PolarHBondContact O-N 3.03Å; I606-E608 PolarHBondContact O-N 2.88Å; I606-G609 PolarHBondContact O-N 3.02Å
607	M	93.8	Very high	92.7	Very high	68 Å²	68	55.6 Å²	55.6	34%	0.335	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-41.9	-179.6	-173.5	64.2	75.5	0	0	112	K461 Q494 R603 K604 G609	K461-M607 HydrophobicContact CD-SD 4.39Å; K461-M607 WeakPolarHBondContact CE-O 3.29Å; K461-M607 WeakPolarHBondContact CE-SD 2.96Å; K461-M607 HydrophobicContact CG-SD 4.09Å; K461-M607 PolarHBondContact NZ-O 3.17Å; Q494-M607 HydrophobicContact CG-CE 4.03Å; R603-M607 VanDerWaalsContact O-CB 3.28Å; R603-M607 WeakPolarHBondContact O-CB 3.4Å; R603-M607 PolarHBondContact O-N 3.39Å; K604-M607 PolarHBondContact O-N 3.18Å; M607-G609 VanDerWaalsContact C-N 3.31Å; M607-G609 PolarHBondContact O-N 3.32Å
608	E	93.3	Very high	92.7	Very high	72 Å²	72	53.3 Å²	53.3	34%	0.336	26%	0.263	S	S	.	.	H	α-helix	trans	-65.4	-35.9	177.4	-73.9	178.3	175.7	0	0	112	K604 I606 R610	K604-E608 WeakPolarHBondContact CE-OE1 3.48Å; K604-E608 HydrophobicContact CG-CG 4.32Å; K604-E608 WeakPolarHBondContact O-CB 2.97Å; K604-E608 WeakPolarHBondContact O-CG 3.19Å; K604-E608 PolarHBondContact O-N 3.07Å; I606-E608 PolarHBondContact O-N 2.88Å; E608-R610 HydrophobicContact CB-CG 4.24Å; E608-R610 PolarHBondContact O-N 2.97Å; E608-R610 IonicContact OE1-NH2 2.69Å; E608-R610 IonicContact OE2-CZ 3.96Å; E608-R610 IonicContact OE2-NE 3.81Å; E608-R610 PolarHBondContact OE2-NE 3.21Å; E608-R610 IonicContact OE2-NH2 3.36Å; E608-R610 PolarHBondContact OE2-NH2 3.14Å
609	G	91.1	Very high	92.5	Very high	23 Å²	23	51.9 Å²	51.9	24%	0.237	26%	0.257	C	S	.	.			trans	59.6	27.8	176.6	0	0	0	0	0	113.6	R586 L605 I606 M607	R586-G609 VanDerWaalsContact CD-O 3.28Å; R586-G609 WeakPolarHBondContact CD-O 3.28Å; L605-G609 PolarHBondContact O-N 3.31Å; I606-G609 PolarHBondContact O-N 3.02Å; M607-G609 VanDerWaalsContact C-N 3.31Å; M607-G609 PolarHBondContact O-N 3.32Å
610	R	92.9	Very high	92.2	Very high	147 Å²	147	56.6 Å²	56.6	56%	0.555	28%	0.278	S	S	*	.			trans	-72.5	157.3	177.2	-69.8	-170.6	-73.7	176.1	0.4	110.8	E608 H612	E608-R610 HydrophobicContact CB-CG 4.24Å; E608-R610 PolarHBondContact O-N 2.97Å; E608-R610 IonicContact OE1-NH2 2.69Å; E608-R610 IonicContact OE2-CZ 3.96Å; E608-R610 IonicContact OE2-NE 3.81Å; E608-R610 PolarHBondContact OE2-NE 3.21Å; E608-R610 IonicContact OE2-NH2 3.36Å; E608-R610 PolarHBondContact OE2-NH2 3.14Å; R610-H612 PolarHBondContact O-CD2 3.09Å; R610-H612 VanDerWaalsContact O-CD2 3.32Å
611	E	94.7	Very high	91.9	Very high	114 Å²	114	60 Å²	60	53%	0.533	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-86.5	138	171.4	-70.7	174.2	-156.9	0	0	109.2	K585 R586	K585-E611 HydrophobicContact CB-CB 3.86Å; K585-E611 HydrophobicContact CB-CG 3.96Å; K585-E611 WeakPolarHBondContact O-CA 3.44Å; R586-E611 HydrophobicContact CG-CG 3.63Å; R586-E611 IonicContact CZ-OE1 3.49Å; R586-E611 IonicContact NE-OE1 3.68Å; R586-E611 PolarHBondContact NE-OE1 3.37Å; R586-E611 IonicContact NH2-OE1 2.89Å; R586-E611 PolarHBondContact NH2-OE1 2.96Å
612	H	93.1	Very high	91.8	Very high	32 Å²	32	58.1 Å²	58.1	15%	0.148	28%	0.284	C	S	.	.			trans	-122.7	132.9	-179.4	-63	-88.2	0	0	0	110.1	K585 L605 R610 F615 V618	K585-H612 PolarHBondContact O-N 2.92Å; L605-H612 WeakPolarHBondContact CD1-NE2 3.35Å; R610-H612 PolarHBondContact O-CD2 3.09Å; R610-H612 VanDerWaalsContact O-CD2 3.32Å; H612-F615 HydrophobicContact CB-CE1 4.19Å; H612-F615 HydrophobicContact CB-CE2 4.27Å; H612-F615 HydrophobicContact CB-CZ 3.91Å; H612-V618 HydrophobicContact CB-CG2 4.21Å; H612-V618 VanDerWaalsContact ND1-CG2 3.31Å; H612-V618 WeakPolarHBondContact ND1-CG2 3.4Å
613	D	89.7	Confident	91.1	Very high	132 Å²	132	59.4 Å²	59.4	71%	0.706	29%	0.291	S	S	*	.	S	Bend	trans	-98.4	-30.3	176.1	-69.5	-46.5	0	0	0	112.5	K585	K585-D613 WeakPolarHBondContact CD-OD1 3.34Å; K585-D613 WeakPolarHBondContact CE-OD1 3.26Å; K585-D613 IonicContact NZ-OD1 2.97Å; K585-D613 PolarHBondContact NZ-OD1 3.1Å
614	D	91.7	Very high	90.2	Very high	83 Å²	83	58.6 Å²	58.6	44%	0.444	29%	0.288	S	S	.	.			trans	-122.7	105.1	-178.9	-170.5	-17.7	0	0	0	110.6	S616 E617 V618	D614-S616 VanDerWaalsContact OD1-CB 3.3Å; D614-S616 WeakPolarHBondContact OD1-CB 3.43Å; D614-S616 PolarHBondContact OD1-N 3.05Å; D614-E617 HydrophobicContact CB-CG 4.42Å; D614-E617 PolarHBondContact OD1-N 2.96Å; D614-V618 WeakPolarHBondContact O-CG2 3.41Å
615	F	91.1	Very high	89	Confident	23 Å²	23	55.8 Å²	55.8	10%	0.101	28%	0.275	C	S	.	.	H	α-helix	trans	-81.5	-14.7	179.2	-78	-82.8	0	0	0	113.4	V520 F580 L582 V587 H612 V618 A619	V520-F615 HydrophobicContact CB-CB 4.38Å; V520-F615 HydrophobicContact CB-CD2 4.4Å; V520-F615 HydrophobicContact CB-CG 4.18Å; V520-F615 HydrophobicContact CG1-CB 3.7Å; V520-F615 HydrophobicContact CG1-CD2 4.4Å; V520-F615 HydrophobicContact CG1-CG 4.03Å; V520-F615 HydrophobicContact CG2-CD2 4.04Å; V520-F615 HydrophobicContact CG2-CE2 4.39Å; V520-F615 HydrophobicContact CG2-CG 4.33Å; F580-F615 HydrophobicContact CB-CD1 4.04Å; F580-F615 HydrophobicContact CB-CE1 3.93Å; F580-F615 HydrophobicContact CD1-CD1 4.44Å; F580-F615 HydrophobicContact CD2-CB 4.38Å; F580-F615 AromaticContact CD2-CD1 3.48Å; F580-F615 HydrophobicContact CD2-CD1 3.48Å; F580-F615 VanDerWaalsContact CD2-CD1 3.48Å; F580-F615 HydrophobicContact CD2-CE1 4.21Å; F580-F615 HydrophobicContact CD2-CG 4.29Å; F580-F615 HydrophobicContact CE2-CB 4.5Å; F580-F615 AromaticContact CE2-CD1 4Å; F580-F615 HydrophobicContact CE2-CD1 4Å; F580-F615 AromaticContact CG-CD1 3.73Å; F580-F615 HydrophobicContact CG-CD1 3.73Å; F580-F615 AromaticContact CG-CE1 3.98Å; F580-F615 HydrophobicContact CG-CE1 3.98Å; L582-F615 HydrophobicContact CD1-CE2 3.92Å; L582-F615 HydrophobicContact CD1-CZ 3.85Å; L582-F615 HydrophobicContact CD2-CE1 3.76Å; L582-F615 HydrophobicContact CD2-CE2 4.3Å; L582-F615 HydrophobicContact CD2-CZ 3.39Å; L582-F615 HydrophobicContact CG-CZ 4.28Å; V587-F615 HydrophobicContact CG2-CE1 3.66Å; V587-F615 HydrophobicContact CG2-CZ 4.25Å; H612-F615 HydrophobicContact CB-CE1 4.19Å; H612-F615 HydrophobicContact CB-CE2 4.27Å; H612-F615 HydrophobicContact CB-CZ 3.91Å; F615-V618 PolarHBondContact O-N 2.96Å; F615-A619 VanDerWaalsContact O-CB 3.24Å; F615-A619 WeakPolarHBondContact O-CB 3.38Å; F615-A619 PolarHBondContact O-N 2.84Å
616	S	86.7	Confident	87	Confident	58 Å²	58	55.8 Å²	55.8	41%	0.406	28%	0.277	S	S	.	.	H	α-helix	trans	-68.1	-39.3	173	-66.5	0	0	0	0	110.6	D614 A619 K620	D614-S616 VanDerWaalsContact OD1-CB 3.3Å; D614-S616 WeakPolarHBondContact OD1-CB 3.43Å; D614-S616 PolarHBondContact OD1-N 3.05Å; S616-A619 PolarHBondContact O-N 3.32Å; S616-K620 PolarHBondContact O-N 3.22Å
617	E	86.8	Confident	84.3	Confident	101 Å²	101	59.2 Å²	59.2	47%	0.472	30%	0.301	S	S	.	.	H	α-helix	trans	-67.7	-40.3	173.3	-66.5	-56.1	129	0	0	112.4	D614 A619 K620	D614-E617 HydrophobicContact CB-CG 4.42Å; D614-E617 PolarHBondContact OD1-N 2.96Å; E617-A619 VanDerWaalsContact C-N 3.28Å; E617-A619 PolarHBondContact O-N 2.77Å; E617-K620 WeakPolarHBondContact O-CB 3.35Å; E617-K620 PolarHBondContact O-N 2.84Å; E617-K620 VanDerWaalsContact OE1-CE 3.25Å; E617-K620 WeakPolarHBondContact OE1-CE 3.33Å; E617-K620 IonicContact OE1-NZ 3.98Å; E617-K620 PolarHBondContact OE1-NZ 3.12Å; E617-K620 WeakPolarHBondContact OE2-CD 3.37Å; E617-K620 WeakPolarHBondContact OE2-CE 3.46Å; E617-K620 IonicContact OE2-NZ 2.86Å; E617-K620 PolarHBondContact OE2-NZ 2.84Å
618	V	90.3	Very high	81.5	Confident	11 Å²	11	63.4 Å²	63.4	7%	0.067	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-38.1	176.2	-179	0	0	0	0	110.9	F580 L605 H612 D614 F615 K620 L621	F580-V618 HydrophobicContact CE1-CG1 3.85Å; F580-V618 HydrophobicContact CZ-CB 4.34Å; F580-V618 HydrophobicContact CZ-CG1 3.77Å; L605-V618 HydrophobicContact CD1-CG1 3.95Å; L605-V618 HydrophobicContact CD2-CG1 3.87Å; H612-V618 HydrophobicContact CB-CG2 4.21Å; H612-V618 VanDerWaalsContact ND1-CG2 3.31Å; H612-V618 WeakPolarHBondContact ND1-CG2 3.4Å; D614-V618 WeakPolarHBondContact O-CG2 3.41Å; F615-V618 PolarHBondContact O-N 2.96Å; V618-K620 PolarHBondContact O-N 2.86Å; V618-L621 WeakPolarHBondContact O-CB 3.35Å; V618-L621 WeakPolarHBondContact O-CG 3.26Å; V618-L621 PolarHBondContact O-N 2.84Å
619	A	91.7	Very high	78.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-25.1	177.8	0	0	0	0	0	113.6	V522 V578 F580 F615 S616 E617 L621 F622 L624 Y625	V522-A619 HydrophobicContact CB-CB 3.83Å; V522-A619 HydrophobicContact CG1-CB 3.77Å; V522-A619 HydrophobicContact CG2-CB 3.81Å; V578-A619 HydrophobicContact CG1-CB 4.08Å; F580-A619 HydrophobicContact CE2-CB 4.34Å; F615-A619 VanDerWaalsContact O-CB 3.24Å; F615-A619 WeakPolarHBondContact O-CB 3.38Å; F615-A619 PolarHBondContact O-N 2.84Å; S616-A619 PolarHBondContact O-N 3.32Å; E617-A619 VanDerWaalsContact C-N 3.28Å; E617-A619 PolarHBondContact O-N 2.77Å; A619-L621 PolarHBondContact O-N 3.05Å; A619-F622 PolarHBondContact O-N 2.87Å; A619-L624 HydrophobicContact CB-CD1 4.24Å; A619-Y625 HydrophobicContact CB-CE2 4.34Å
620	K	87.6	Confident	75.8	Confident	99 Å²	99	72.6 Å²	72.6	43%	0.43	37%	0.369	S	S	.	.	H	α-helix	trans	-60.6	-29.7	174.5	-66.9	177.8	-176.1	172.2	0	112.9	S616 E617 V618 F622 N623 Y625	S616-K620 PolarHBondContact O-N 3.22Å; E617-K620 WeakPolarHBondContact O-CB 3.35Å; E617-K620 PolarHBondContact O-N 2.84Å; E617-K620 VanDerWaalsContact OE1-CE 3.25Å; E617-K620 WeakPolarHBondContact OE1-CE 3.33Å; E617-K620 IonicContact OE1-NZ 3.98Å; E617-K620 PolarHBondContact OE1-NZ 3.12Å; E617-K620 WeakPolarHBondContact OE2-CD 3.37Å; E617-K620 WeakPolarHBondContact OE2-CE 3.46Å; E617-K620 IonicContact OE2-NZ 2.86Å; E617-K620 PolarHBondContact OE2-NZ 2.84Å; V618-K620 PolarHBondContact O-N 2.86Å; K620-F622 PolarHBondContact O-N 3.42Å; K620-F622 VanDerWaalsContact O-N 3.16Å; K620-N623 PolarHBondContact O-N 2.9Å; K620-N623 VanDerWaalsContact O-N 3.15Å; K620-Y625 HydrophobicContact CG-CD2 3.72Å; K620-Y625 HydrophobicContact CG-CE2 4.25Å
621	L	88	Confident	72.7	Confident	94 Å²	94	69.6 Å²	69.6	49%	0.492	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22	177.1	-57.1	174.6	0	0	0	112.4	I601 V618 A619 N623	I601-L621 WeakPolarHBondContact CD1-O 3.1Å; I601-L621 HydrophobicContact CG2-CB 3.68Å; I601-L621 HydrophobicContact CG2-CD1 4.26Å; V618-L621 WeakPolarHBondContact O-CB 3.35Å; V618-L621 WeakPolarHBondContact O-CG 3.26Å; V618-L621 PolarHBondContact O-N 2.84Å; A619-L621 PolarHBondContact O-N 3.05Å; L621-N623 VanDerWaalsContact C-N 3.32Å
622	F	90.3	Very high	69.7	Low	2 Å²	2	77.2 Å²	77.2	1%	0.009	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	15.5	-179.2	-63.8	-86.9	0	0	0	113.1	V578 F580 V590 L592 V595 R598 I601 A602 L605 A619 K620 L624	V578-F622 HydrophobicContact CB-CG 4.45Å; V578-F622 HydrophobicContact CG1-CD2 4.47Å; V578-F622 HydrophobicContact CG2-CD1 4.42Å; V578-F622 HydrophobicContact CG2-CD2 4.21Å; V578-F622 HydrophobicContact CG2-CE1 4.46Å; V578-F622 HydrophobicContact CG2-CE2 4.25Å; V578-F622 HydrophobicContact CG2-CG 4.29Å; V578-F622 HydrophobicContact CG2-CZ 4.37Å; F580-F622 HydrophobicContact CE1-CD2 4.45Å; F580-F622 AromaticContact CE1-CE2 3.7Å; F580-F622 HydrophobicContact CE1-CE2 3.7Å; F580-F622 HydrophobicContact CE1-CZ 4.24Å; F580-F622 HydrophobicContact CZ-CD2 4.15Å; F580-F622 AromaticContact CZ-CE2 3.82Å; F580-F622 HydrophobicContact CZ-CE2 3.82Å; V590-F622 HydrophobicContact CG1-CZ 4.49Å; L592-F622 HydrophobicContact CD2-CD1 3.51Å; L592-F622 HydrophobicContact CD2-CE1 3.74Å; L592-F622 HydrophobicContact CD2-CG 4.38Å; V595-F622 HydrophobicContact CG1-CB 4.41Å; R598-F622 HydrophobicContact CB-CD1 3.79Å; R598-F622 HydrophobicContact CB-CE1 4.33Å; R598-F622 HydrophobicContact CG-CD1 4.48Å; I601-F622 HydrophobicContact CB-CE1 4.31Å; I601-F622 HydrophobicContact CB-CZ 4.48Å; I601-F622 HydrophobicContact CG2-CE1 4.13Å; I601-F622 HydrophobicContact CG2-CE2 4.18Å; I601-F622 HydrophobicContact CG2-CZ 3.88Å; A602-F622 HydrophobicContact CB-CE1 4.07Å; A602-F622 HydrophobicContact CB-CZ 4.26Å; L605-F622 HydrophobicContact CD2-CE2 4.45Å; L605-F622 HydrophobicContact CD2-CZ 4.43Å; A619-F622 PolarHBondContact O-N 2.87Å; K620-F622 PolarHBondContact O-N 3.42Å; K620-F622 VanDerWaalsContact O-N 3.16Å; F622-L624 HydrophobicContact CB-CG 4.28Å; F622-L624 PolarHBondContact O-N 2.85Å; F622-L624 VanDerWaalsContact O-N 3.13Å
623	N	82.2	Confident	68.5	Low	28 Å²	28	79.5 Å²	79.5	15%	0.15	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	36.1	179.9	-77.8	20.6	0	0	0	113.5	R598 K620 L621	R598-N623 VanDerWaalsContact CZ-CG 3.44Å; R598-N623 PolarHBondContact NH1-OD1 3Å; R598-N623 PolarHBondContact NH2-ND2 3.31Å; K620-N623 PolarHBondContact O-N 2.9Å; K620-N623 VanDerWaalsContact O-N 3.15Å; L621-N623 VanDerWaalsContact C-N 3.32Å
624	L	76.6	Confident	67.4	Low	0 Å²	0	76.7 Å²	76.7	0%	0	40%	0.404	C	S	.	.			trans	-74.5	-35	174.9	-70.2	-177.3	0	0	0	111.8	V522 M524 K576 V578 V595 A619 F622	V522-L624 HydrophobicContact CB-CD1 4.17Å; V522-L624 HydrophobicContact CG1-CD1 4Å; M524-L624 WeakPolarHBondContact CE-O 3.43Å; M524-L624 HydrophobicContact CG-CB 3.96Å; M524-L624 WeakPolarHBondContact CG-O 3.43Å; K576-L624 HydrophobicContact CD-CD2 4.46Å; K576-L624 HydrophobicContact CG-CD2 4.08Å; V578-L624 HydrophobicContact CB-CD1 4.24Å; V578-L624 HydrophobicContact CG1-CD1 3.59Å; V595-L624 HydrophobicContact CG2-CD2 3.77Å; A619-L624 HydrophobicContact CB-CD1 4.24Å; F622-L624 HydrophobicContact CB-CG 4.28Å; F622-L624 PolarHBondContact O-N 2.85Å; F622-L624 VanDerWaalsContact O-N 3.13Å
625	Y	68	Low	66	Low	72 Å²	72	76.3 Å²	76.3	28%	0.282	40%	0.402	S	S	.	.	S	Bend	trans	-100.5	129.6	177.9	-55.7	-79.8	0	0	0	109.1	V522 M524 A619 K620	V522-Y625 HydrophobicContact CG1-CE2 4.31Å; V522-Y625 VanDerWaalsContact CG1-OH 3.25Å; V522-Y625 WeakPolarHBondContact CG1-OH 3.44Å; M524-Y625 HydrophobicContact CE-CD1 4.16Å; M524-Y625 HydrophobicContact CE-CE1 4.46Å; M524-Y625 HydrophobicContact SD-CD1 4.18Å; M524-Y625 HydrophobicContact SD-CE1 3.91Å; A619-Y625 HydrophobicContact CB-CE2 4.34Å; K620-Y625 HydrophobicContact CG-CD2 3.72Å; K620-Y625 HydrophobicContact CG-CE2 4.25Å
626	G	51.5	Low	64.6	Low	9 Å²	9	79.5 Å²	79.5	9%	0.093	42%	0.419	C	S	.	.			trans	-62.4	159.6	158.7	0	0	0	0	0	110.1	P562 T565 L628	P562-G626 WeakPolarHBondContact O-CA 3.49Å; T565-G626 PolarHBondContact OG1-N 2.62Å; G626-L628 VanDerWaalsContact C-N 3.33Å; G626-L628 PolarHBondContact O-N 3.16Å
627	S	39.9	Very low	63.2	Low	75 Å²	75	80.8 Å²	80.8	52%	0.524	42%	0.42	S	S	.	.			trans	-59.4	104.9	166.6	53.9	0	0	0	0	106.5	S629	S627-S629 PolarHBondContact O-N 3.12Å
628	L	34.9	Very low	61.6	Low	157 Å²	157	79.5 Å²	79.5	82%	0.822	42%	0.417	S	S	*	.			trans	-56.5	109.3	163.7	-73.7	164.6	0	0	0	104.6	G626 E630	G626-L628 VanDerWaalsContact C-N 3.33Å; G626-L628 PolarHBondContact O-N 3.16Å; L628-E630 PolarHBondContact O-N 3.2Å
629	S	30.8	Very low	59.6	Low	76 Å²	76	84.4 Å²	84.4	53%	0.531	44%	0.442	S	S	.	.			trans	-57.1	131.2	167.8	52.8	0	0	0	0	106.3	S627 S631	S627-S629 PolarHBondContact O-N 3.12Å; S629-S631 PolarHBondContact O-N 3.41Å; S629-S631 PolarHBondContact OG-OG 2.87Å
630	E	33.2	Very low	57.1	Low	212 Å²	212	90.8 Å²	90.8	99%	0.991	48%	0.476	S	S	*	.	S	Bend	trans	-67.6	45	175.3	-69.7	-176.1	145.7	0	0	111.9	L628	L628-E630 PolarHBondContact O-N 3.2Å
631	S	28.7	Very low	54.6	Low	83 Å²	83	90.2 Å²	90.2	58%	0.58	48%	0.48	S	S	*	.			trans	-135.9	65.8	-176	68.6	0	0	0	0	111	S629	S629-S631 PolarHBondContact O-N 3.41Å; S629-S631 PolarHBondContact OG-OG 2.87Å
632	E	30.6	Very low	51.5	Low	274 Å²	274	89.8 Å²	89.8	100%	1.28	48%	0.478	S	S	*	.			trans	-142.4	0	145.8	-81.4	-162.3	153.2	0	0	110.4

Retrieved 632 of 632 residues in 394.3 ms (Link to these results)

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