A0A077ZFY1_TRITR Loading...

Striatin 3

AlphaFold DB , UniProt , Accession A0A077ZFY1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 514 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	42.5	Very low	258 Å²	258	132 Å²	132	100%	1.271	71%	0.712	S	S	*	*				0	55.1	0	-151.9	171.5	-164.7	0	0	108.7
2	G	38.5	Very low	42.8	Very low	68 Å²	68	134.3 Å²	134.3	70%	0.701	71%	0.714	S	S	*	*			trans	-152.8	39.3	-162.7	0	0	0	0	0	113.7
3	Q	35.8	Very low	43	Very low	192 Å²	192	130.8 Å²	130.8	90%	0.897	70%	0.701	S	S	*	*	S	Bend	trans	-119.4	19.4	175.7	-97.3	-175	-12.2	0	0	112.7
4	Q	42.1	Very low	42.7	Very low	160 Å²	160	131.1 Å²	131.1	75%	0.748	70%	0.695	S	S	*	*	S	Bend	trans	-107.9	-7.1	179.9	-91.8	177.7	-27.6	0	0	115.4
5	D	46.8	Very low	42.9	Very low	141 Å²	141	131 Å²	131	75%	0.754	70%	0.695	S	S	*	*	H	α-helix	trans	-86.4	-13.4	-178.6	-68.1	-25.2	0	0	0	114.2
6	F	40.3	Very low	43	Very low	185 Å²	185	132.1 Å²	132.1	81%	0.811	70%	0.695	S	S	*	*	H	α-helix	trans	-89.7	-18.2	179	-94.8	-83.4	0	0	0	114.5
7	S	46.9	Very low	42.8	Very low	67 Å²	67	131.7 Å²	131.7	47%	0.469	69%	0.687	S	S	.	*	H	α-helix	trans	-76.6	-32.8	179.6	64.5	0	0	0	0	112.8	A9 V10 E11	S7-A9 PolarHBondContact O-N 2.67Å; S7-V10 PolarHBondContact O-N 3.29Å; S7-E11 PolarHBondContact O-N 3.23Å
8	N	46.6	Very low	42.6	Very low	103 Å²	103	128.9 Å²	128.9	55%	0.551	69%	0.686	S	S	*	*	H	α-helix	trans	-73.2	-28.2	-176.6	-70.1	-0.4	0	0	0	112.7	V10 E11 E12	N8-V10 VanDerWaalsContact C-N 3.29Å; N8-V10 PolarHBondContact O-N 3.35Å; N8-E11 PolarHBondContact O-N 3.46Å; N8-E12 PolarHBondContact O-N 3.46Å
9	A	47	Very low	43	Very low	58 Å²	58	130.3 Å²	130.3	48%	0.479	69%	0.685	S	S	.	*	H	α-helix	trans	-71.6	-23.4	176.3	0	0	0	0	0	113.1	S7	S7-A9 PolarHBondContact O-N 2.67Å
10	V	43.2	Very low	42.4	Very low	86 Å²	86	129.9 Å²	129.9	52%	0.521	68%	0.683	S	S	.	*	H	α-helix	trans	-85	-30.6	177.4	-176.6	0	0	0	0	111.2	S7 N8 H14	S7-V10 PolarHBondContact O-N 3.29Å; N8-V10 VanDerWaalsContact C-N 3.29Å; N8-V10 PolarHBondContact O-N 3.35Å; V10-H14 PolarHBondContact O-CD2 2.95Å; V10-H14 PolarHBondContact O-N 3.43Å
11	E	44.2	Very low	42.1	Very low	134 Å²	134	129.4 Å²	129.4	63%	0.626	69%	0.688	S	S	*	*	H	α-helix	trans	-72.2	-29.7	175.4	-100.3	-174.8	160.2	0	0	113.5	S7 N8 H14 N15	S7-E11 PolarHBondContact O-N 3.23Å; N8-E11 PolarHBondContact O-N 3.46Å; E11-H14 PolarHBondContact O-N 2.95Å; E11-N15 PolarHBondContact O-N 2.75Å
12	E	46.4	Very low	42.1	Very low	159 Å²	159	120.5 Å²	120.5	74%	0.743	66%	0.662	S	S	*	*	H	α-helix	trans	-68.5	-34.5	175	-99.6	-177.4	163.9	0	0	112.7	N8	N8-E12 PolarHBondContact O-N 3.46Å
13	V	45.4	Very low	41.7	Very low	89 Å²	89	123.6 Å²	123.6	54%	0.539	67%	0.667	S	S	.	*	H	α-helix	trans	-74.9	-28.3	179	-177.7	0	0	0	0	111.9	F17	V13-F17 WeakPolarHBondContact O-CD2 3.42Å
14	H	39.1	Very low	41.5	Very low	135 Å²	135	122.1 Å²	122.1	63%	0.625	67%	0.666	S	S	*	*	H	α-helix	trans	-79	-22.1	178.6	-87.6	-73.1	0	0	0	114.3	V10 E11	V10-H14 PolarHBondContact O-CD2 2.95Å; V10-H14 PolarHBondContact O-N 3.43Å; E11-H14 PolarHBondContact O-N 2.95Å
15	N	44.5	Very low	41	Very low	130 Å²	130	121.2 Å²	121.2	70%	0.695	67%	0.671	S	S	*	*	H	α-helix	trans	-79.2	-16.5	177	-81.3	-24.4	0	0	0	113.8	E11 F17	E11-N15 PolarHBondContact O-N 2.75Å; N15-F17 VanDerWaalsContact C-N 3.28Å; N15-F17 PolarHBondContact O-N 2.76Å
16	E	45.2	Very low	40.1	Very low	148 Å²	148	120.7 Å²	120.7	69%	0.692	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-13.1	177.3	-147.6	172	-164.9	0	0	113.1
17	F	39.1	Very low	39.6	Very low	126 Å²	126	119.4 Å²	119.4	55%	0.553	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.6	8.3	-178.4	-66	-78.1	0	0	0	114.8	V13 N15 F19	V13-F17 WeakPolarHBondContact O-CD2 3.42Å; N15-F17 VanDerWaalsContact C-N 3.28Å; N15-F17 PolarHBondContact O-N 2.76Å; F17-F19 PolarHBondContact O-N 2.6Å; F17-F19 VanDerWaalsContact O-N 3.07Å
18	A	40.4	Very low	38.7	Very low	81 Å²	81	121.2 Å²	121.2	67%	0.669	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	7.4	179	0	0	0	0	0	114.7
19	F	49.2	Very low	37.8	Very low	155 Å²	155	121.2 Å²	121.2	68%	0.68	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	0.2	175.6	78.7	-91.6	0	0	0	114.3	F17 P21	F17-F19 PolarHBondContact O-N 2.6Å; F17-F19 VanDerWaalsContact O-N 3.07Å; F19-P21 VanDerWaalsContact O-CD 3.24Å; F19-P21 WeakPolarHBondContact O-CD 3.48Å
20	L	31.1	Very low	37	Very low	122 Å²	122	123.5 Å²	123.5	64%	0.639	71%	0.708	S	S	*	*	S	Bend	trans	-90.3	105.8	172.5	-65.8	177.4	0	0	0	109.3	G22	L20-G22 PolarHBondContact O-N 3.39Å; L20-G22 VanDerWaalsContact O-N 3.14Å
21	P	37.1	Very low	36.4	Very low	121 Å²	121	128.9 Å²	128.9	79%	0.786	72%	0.724	S	S	*	*			trans	-68.6	118.4	178.1	25.8	-25.3	0	0	0	108.3	F19	F19-P21 VanDerWaalsContact O-CD 3.24Å; F19-P21 WeakPolarHBondContact O-CD 3.48Å
22	G	34.4	Very low	35.7	Very low	70 Å²	70	129.2 Å²	129.2	72%	0.722	74%	0.736	S	S	*	*			trans	-50.8	139.3	170	0	0	0	0	0	110.5	L20 D24	L20-G22 PolarHBondContact O-N 3.39Å; L20-G22 VanDerWaalsContact O-N 3.14Å; G22-D24 PolarHBondContact O-N 3.24Å; G22-D24 VanDerWaalsContact O-N 3.07Å
23	T	32	Very low	34.9	Very low	133 Å²	133	126.2 Å²	126.2	82%	0.816	74%	0.738	S	S	*	*			trans	-51.6	108.1	-179.7	49.6	0	0	0	0	111.3
24	D	31.2	Very low	34.3	Very low	162 Å²	162	127.4 Å²	127.4	87%	0.866	75%	0.75	S	S	*	*			trans	-139.8	112.6	149.5	-93.3	-31.7	0	0	0	109.2	G22 T26	G22-D24 PolarHBondContact O-N 3.24Å; G22-D24 VanDerWaalsContact O-N 3.07Å; D24-T26 PolarHBondContact O-N 3.37Å
25	V	30.4	Very low	34.2	Very low	140 Å²	140	125.6 Å²	125.6	85%	0.848	76%	0.758	S	S	*	*			trans	-71.5	109.6	174.5	174.1	0	0	0	0	107.6
26	T	29.5	Very low	34.2	Very low	131 Å²	131	125.1 Å²	125.1	80%	0.804	76%	0.76	S	S	*	*			trans	-150.4	122.1	146.2	50.7	0	0	0	0	110.4	D24	D24-T26 PolarHBondContact O-N 3.37Å
27	D	28	Very low	33.8	Very low	157 Å²	157	129.5 Å²	129.5	84%	0.84	77%	0.77	S	S	*	*			trans	-42.6	135.6	162.8	-89.7	-43.9	0	0	0	112.8
28	S	28.7	Very low	34	Very low	105 Å²	105	129 Å²	129	73%	0.734	78%	0.778	S	S	*	*				139.3	125.3	123.7	66.9	0	0	0	0	114.6
29	S	27.9	Very low	34.6	Very low	103 Å²	103	133.2 Å²	133.2	72%	0.72	79%	0.789	S	S	*	*			trans	74.6	100.5	148.3	74.6	0	0	0	0	119.5
30	S	29.6	Very low	35.2	Very low	107 Å²	107	129.7 Å²	129.7	75%	0.748	78%	0.78	S	S	*	*				47.5	107.2	126	65	0	0	0	0	118.4
31	K	31.2	Very low	37.4	Very low	199 Å²	199	128.4 Å²	128.4	87%	0.865	77%	0.774	S	S	*	*			trans	-158.6	93.8	144.9	-104	159.8	-167.5	-177	0	110.7
32	T	30.3	Very low	39.5	Very low	141 Å²	141	130.8 Å²	130.8	87%	0.865	77%	0.769	S	S	*	*			trans	31.3	96.5	139.3	56.9	0	0	0	0	118.4
33	A	28.9	Very low	41.7	Very low	95 Å²	95	135.1 Å²	135.1	79%	0.785	77%	0.77	S	S	*	*			trans	-149.5	120.8	152.3	0	0	0	0	0	111.2
34	S	32.8	Very low	44.1	Very low	115 Å²	115	130.9 Å²	130.9	80%	0.804	75%	0.748	S	S	*	*			trans	47.5	89.9	165.5	72.1	0	0	0	0	120	V36	S34-V36 PolarHBondContact O-N 3.49Å
35	A	37.6	Very low	46.3	Very low	96 Å²	96	127.1 Å²	127.1	79%	0.793	73%	0.728	S	S	*	*			trans	-81.6	75.7	171.6	0	0	0	0	0	113.5
36	V	43.7	Very low	48.9	Very low	121 Å²	121	125.3 Å²	125.3	73%	0.733	71%	0.713	S	S	*	*	S	Bend	trans	-128.8	-7.1	171.6	-177.9	0	0	0	0	114.8	S34	S34-V36 PolarHBondContact O-N 3.49Å
37	W	35.7	Very low	51.8	Low	240 Å²	240	126 Å²	126	91%	0.909	71%	0.705	S	S	*	*	S	Bend	trans	-129.1	46.4	-178.8	-72.4	69.9	0	0	0	113.6
38	T	44.3	Very low	54.6	Low	116 Å²	116	125.8 Å²	125.8	71%	0.712	70%	0.697	S	S	*	*			trans	-132.7	65.4	174.9	59.5	0	0	0	0	111.2
39	N	52	Low	57.2	Low	168 Å²	168	127.1 Å²	127.1	90%	0.898	69%	0.689	S	S	*	*			trans	-137.3	42.3	161.8	-90.9	-13.8	0	0	0	109.9	D41	N39-D41 PolarHBondContact O-N 2.94Å; N39-D41 VanDerWaalsContact O-N 3.16Å
40	V	61.7	Low	60	Low	81 Å²	81	124 Å²	124	49%	0.491	67%	0.67	S	S	.	*			trans	-73.7	104.2	165.3	-179.4	0	0	0	0	106.7	Y42 L45	V40-Y42 VanDerWaalsContact C-N 3.33Å; V40-Y42 HydrophobicContact CB-CE2 4.24Å; V40-Y42 HydrophobicContact CG1-CD1 4.47Å; V40-Y42 HydrophobicContact CG1-CE1 4.29Å; V40-Y42 HydrophobicContact CG1-CE2 4.34Å; V40-Y42 WeakPolarHBondContact O-CD2 2.99Å; V40-Y42 PolarHBondContact O-N 3.19Å; V40-L45 HydrophobicContact CG1-CD1 3.66Å
41	D	79	Confident	62.7	Low	96 Å²	96	122 Å²	122	51%	0.513	65%	0.651	S	S	.	*			trans	-73	89.6	174.2	-174.5	-4.6	0	0	0	109.3	N39 Q43 A44 L45	N39-D41 PolarHBondContact O-N 2.94Å; N39-D41 VanDerWaalsContact O-N 3.16Å; D41-Q43 PolarHBondContact O-N 3.44Å; D41-Q43 WeakPolarHBondContact OD1-CB 3.41Å; D41-Q43 PolarHBondContact OD1-N 2.88Å; D41-Q43 VanDerWaalsContact OD1-N 3.12Å; D41-A44 HydrophobicContact CB-CB 4.06Å; D41-A44 WeakPolarHBondContact O-CB 3.39Å; D41-A44 PolarHBondContact O-N 2.64Å; D41-A44 PolarHBondContact OD1-N 2.66Å; D41-L45 PolarHBondContact O-N 2.74Å
42	Y	81.1	Confident	65.2	Low	171 Å²	171	118.7 Å²	118.7	67%	0.671	64%	0.637	S	S	*	*	H	α-helix	trans	-57.5	-28.5	178.7	-71.5	-81.6	0	0	0	112.5	V40 L45 D46	V40-Y42 VanDerWaalsContact C-N 3.33Å; V40-Y42 HydrophobicContact CB-CE2 4.24Å; V40-Y42 HydrophobicContact CG1-CD1 4.47Å; V40-Y42 HydrophobicContact CG1-CE1 4.29Å; V40-Y42 HydrophobicContact CG1-CE2 4.34Å; V40-Y42 WeakPolarHBondContact O-CD2 2.99Å; V40-Y42 PolarHBondContact O-N 3.19Å; Y42-L45 PolarHBondContact O-N 3.3Å; Y42-D46 PolarHBondContact O-N 3.16Å
43	Q	79.1	Confident	67.5	Low	161 Å²	161	118 Å²	118	75%	0.752	62%	0.624	S	S	*	*	H	α-helix	trans	-69	-35.9	177	-60.1	-172.8	-6.5	0	0	111.5	D41 K47	D41-Q43 PolarHBondContact O-N 3.44Å; D41-Q43 WeakPolarHBondContact OD1-CB 3.41Å; D41-Q43 PolarHBondContact OD1-N 2.88Å; D41-Q43 VanDerWaalsContact OD1-N 3.12Å; Q43-K47 WeakPolarHBondContact O-CB 3.38Å; Q43-K47 PolarHBondContact O-N 3.34Å
44	A	83.1	Confident	70	Confident	44 Å²	44	119.6 Å²	119.6	36%	0.364	61%	0.609	S	S	.	*	H	α-helix	trans	-67.3	-36.8	174.8	0	0	0	0	0	112.3	D41 K48	D41-A44 HydrophobicContact CB-CB 4.06Å; D41-A44 WeakPolarHBondContact O-CB 3.39Å; D41-A44 PolarHBondContact O-N 2.64Å; D41-A44 PolarHBondContact OD1-N 2.66Å; A44-K48 WeakPolarHBondContact O-CG 3.26Å; A44-K48 PolarHBondContact O-N 3.16Å; A44-K48 VanDerWaalsContact O-N 3.08Å
45	L	77.6	Confident	72.2	Confident	83 Å²	83	118.4 Å²	118.4	44%	0.435	59%	0.591	S	S	.	*	H	α-helix	trans	-66.1	-45.2	175.4	-83.8	165.4	0	0	0	111.9	V40 D41 Y42 K47 K48 K49	V40-L45 HydrophobicContact CG1-CD1 3.66Å; D41-L45 PolarHBondContact O-N 2.74Å; Y42-L45 PolarHBondContact O-N 3.3Å; L45-K47 VanDerWaalsContact C-N 3.33Å; L45-K47 PolarHBondContact O-N 2.81Å; L45-K48 PolarHBondContact O-N 3.27Å; L45-K49 PolarHBondContact O-N 3.17Å
46	D	85.6	Confident	74	Confident	102 Å²	102	117.8 Å²	117.8	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-66.8	-36.2	178.5	-76.6	-17.3	0	0	0	112	Y42 K49 A50	Y42-D46 PolarHBondContact O-N 3.16Å; D46-K49 PolarHBondContact O-N 3.19Å; D46-A50 WeakPolarHBondContact O-CB 3.43Å; D46-A50 PolarHBondContact O-N 3.36Å
47	K	88.8	Confident	75.3	Confident	144 Å²	144	118.7 Å²	118.7	63%	0.626	57%	0.57	S	S	*	*	H	α-helix	trans	-61	-45.6	172.4	-170.1	177.5	179.6	-178.5	0	111.7	Q43 L45 A50 D51	Q43-K47 WeakPolarHBondContact O-CB 3.38Å; Q43-K47 PolarHBondContact O-N 3.34Å; L45-K47 VanDerWaalsContact C-N 3.33Å; L45-K47 PolarHBondContact O-N 2.81Å; K47-A50 PolarHBondContact O-N 3.38Å; K47-D51 VanDerWaalsContact O-CG 3.31Å; K47-D51 PolarHBondContact O-N 3.04Å
48	K	87.8	Confident	76.9	Confident	153 Å²	153	114 Å²	114	67%	0.665	56%	0.558	S	S	*	*	H	α-helix	trans	-63.2	-40.9	176.4	-78.3	-175.3	178	179.3	0	112.5	A44 L45 A50 D51 F52	A44-K48 WeakPolarHBondContact O-CG 3.26Å; A44-K48 PolarHBondContact O-N 3.16Å; A44-K48 VanDerWaalsContact O-N 3.08Å; L45-K48 PolarHBondContact O-N 3.27Å; K48-A50 VanDerWaalsContact C-N 3.35Å; K48-D51 PolarHBondContact O-N 3.31Å; K48-F52 WeakPolarHBondContact O-CB 3.44Å; K48-F52 PolarHBondContact O-N 2.87Å
49	K	84.2	Confident	77.6	Confident	133 Å²	133	115 Å²	115	58%	0.578	55%	0.553	S	S	*	*	H	α-helix	trans	-61.3	-42.9	174.6	-76.8	179.3	178.3	175.2	0	111.7	L45 D46 F52 Q53	L45-K49 PolarHBondContact O-N 3.17Å; D46-K49 PolarHBondContact O-N 3.19Å; K49-F52 PolarHBondContact O-N 3.37Å; K49-Q53 WeakPolarHBondContact O-CG 3.07Å; K49-Q53 PolarHBondContact O-N 3.36Å
50	A	86.2	Confident	77.6	Confident	39 Å²	39	115.5 Å²	115.5	32%	0.322	55%	0.547	S	S	.	.	H	α-helix	trans	-68	-38.3	178	0	0	0	0	0	112.8	D46 K47 K48 Q53 R54	D46-A50 WeakPolarHBondContact O-CB 3.43Å; D46-A50 PolarHBondContact O-N 3.36Å; K47-A50 PolarHBondContact O-N 3.38Å; K48-A50 VanDerWaalsContact C-N 3.35Å; A50-Q53 PolarHBondContact O-N 3.44Å; A50-R54 PolarHBondContact O-N 3.45Å; A50-R54 VanDerWaalsContact O-N 3.09Å
51	D	86.8	Confident	76.7	Confident	63 Å²	63	114.8 Å²	114.8	34%	0.337	56%	0.556	S	S	.	*	H	α-helix	trans	-64.4	-42.7	175.1	-71.7	-25.1	0	0	0	111.2	K47 K48 R54 E55	K47-D51 VanDerWaalsContact O-CG 3.31Å; K47-D51 PolarHBondContact O-N 3.04Å; K48-D51 PolarHBondContact O-N 3.31Å; D51-R54 WeakPolarHBondContact O-CB 3.19Å; D51-R54 PolarHBondContact O-N 2.87Å; D51-R54 IonicContact OD1-CZ 3.34Å; D51-R54 IonicContact OD1-NH1 3.76Å; D51-R54 PolarHBondContact OD1-NH1 2.78Å; D51-R54 IonicContact OD1-NH2 3.81Å; D51-R54 PolarHBondContact OD1-NH2 3.05Å; D51-E55 PolarHBondContact O-N 3.44Å
52	F	81.7	Confident	74.9	Confident	130 Å²	130	115.4 Å²	115.4	57%	0.57	56%	0.563	S	S	*	*	H	α-helix	trans	-63.4	-42.2	176.6	-174.5	-108	0	0	0	112.7	K48 K49 R54 E55 L56	K48-F52 WeakPolarHBondContact O-CB 3.44Å; K48-F52 PolarHBondContact O-N 2.87Å; K49-F52 PolarHBondContact O-N 3.37Å; F52-R54 VanDerWaalsContact C-N 3.32Å; F52-R54 PolarHBondContact O-N 2.85Å; F52-E55 PolarHBondContact O-N 3Å; F52-L56 HydrophobicContact CD1-CD1 3.87Å; F52-L56 HydrophobicContact CE1-CD1 3.4Å; F52-L56 VanDerWaalsContact CE1-CD1 3.4Å; F52-L56 HydrophobicContact CZ-CD1 3.84Å; F52-L56 PolarHBondContact O-N 3.07Å
53	Q	78.6	Confident	73	Confident	126 Å²	126	111.8 Å²	111.8	59%	0.589	56%	0.563	S	S	*	*	H	α-helix	trans	-63.4	-37.5	175.1	-75.4	179.4	-5.7	0	0	112.4	K49 A50 L56 Q57	K49-Q53 WeakPolarHBondContact O-CG 3.07Å; K49-Q53 PolarHBondContact O-N 3.36Å; A50-Q53 PolarHBondContact O-N 3.44Å; Q53-L56 PolarHBondContact O-N 3.04Å; Q53-Q57 WeakPolarHBondContact O-CG 3.11Å; Q53-Q57 PolarHBondContact O-N 3.3Å; Q53-Q57 VanDerWaalsContact O-N 3.1Å
54	R	81.8	Confident	71.3	Confident	130 Å²	130	115.6 Å²	115.6	49%	0.491	57%	0.571	S	S	.	*	H	α-helix	trans	-63.9	-41.1	173.7	-97.7	-175.9	-87.3	117.9	3.2	112	A50 D51 F52 Q57 Q58	A50-R54 PolarHBondContact O-N 3.45Å; A50-R54 VanDerWaalsContact O-N 3.09Å; D51-R54 WeakPolarHBondContact O-CB 3.19Å; D51-R54 PolarHBondContact O-N 2.87Å; D51-R54 IonicContact OD1-CZ 3.34Å; D51-R54 IonicContact OD1-NH1 3.76Å; D51-R54 PolarHBondContact OD1-NH1 2.78Å; D51-R54 IonicContact OD1-NH2 3.81Å; D51-R54 PolarHBondContact OD1-NH2 3.05Å; F52-R54 VanDerWaalsContact C-N 3.32Å; F52-R54 PolarHBondContact O-N 2.85Å; R54-Q57 PolarHBondContact O-N 2.84Å; R54-Q58 WeakPolarHBondContact O-CG 3.45Å; R54-Q58 PolarHBondContact O-N 2.89Å
55	E	80.4	Confident	69.1	Low	90 Å²	90	123.9 Å²	123.9	42%	0.421	59%	0.592	S	S	.	*	H	α-helix	trans	-64.6	-41.2	177.6	-162.3	-172.2	151.5	0	0	112	D51 F52 Q57 Q58 K59	D51-E55 PolarHBondContact O-N 3.44Å; F52-E55 PolarHBondContact O-N 3Å; E55-Q57 VanDerWaalsContact C-N 3.33Å; E55-Q57 PolarHBondContact O-N 2.78Å; E55-Q58 PolarHBondContact O-N 2.98Å; E55-K59 HydrophobicContact CG-CD 4.47Å; E55-K59 WeakPolarHBondContact O-CG 3.45Å; E55-K59 PolarHBondContact O-N 3.06Å; E55-K59 WeakPolarHBondContact OE1-CE 3.37Å; E55-K59 IonicContact OE1-NZ 3.5Å; E55-K59 PolarHBondContact OE1-NZ 3.17Å
56	L	75.7	Confident	67.8	Low	83 Å²	83	126.7 Å²	126.7	44%	0.435	61%	0.607	S	S	.	*	H	α-helix	trans	-61	-40.4	174.3	-107.7	147.6	0	0	0	112.4	F52 Q53 K59 K60	F52-L56 HydrophobicContact CD1-CD1 3.87Å; F52-L56 HydrophobicContact CE1-CD1 3.4Å; F52-L56 VanDerWaalsContact CE1-CD1 3.4Å; F52-L56 HydrophobicContact CZ-CD1 3.84Å; F52-L56 PolarHBondContact O-N 3.07Å; Q53-L56 PolarHBondContact O-N 3.04Å; L56-K59 PolarHBondContact O-N 3.26Å; L56-K60 WeakPolarHBondContact O-CG 3.35Å; L56-K60 PolarHBondContact O-N 3.41Å
57	Q	70.8	Confident	66.4	Low	139 Å²	139	126 Å²	126	65%	0.65	61%	0.608	S	S	*	*	H	α-helix	trans	-68.9	-37.9	176.5	-71.8	178.5	7.7	0	0	112.3	Q53 R54 E55 K59 K60	Q53-Q57 WeakPolarHBondContact O-CG 3.11Å; Q53-Q57 PolarHBondContact O-N 3.3Å; Q53-Q57 VanDerWaalsContact O-N 3.1Å; R54-Q57 PolarHBondContact O-N 2.84Å; E55-Q57 VanDerWaalsContact C-N 3.33Å; E55-Q57 PolarHBondContact O-N 2.78Å; Q57-K59 VanDerWaalsContact C-N 3.35Å; Q57-K60 PolarHBondContact O-N 2.93Å
58	Q	69.3	Low	64.9	Low	141 Å²	141	129 Å²	129	66%	0.659	62%	0.615	S	S	*	*	H	α-helix	trans	-65.8	-38.5	175.2	-72.8	177.6	8.7	0	0	111.9	R54 E55 K60 G61	R54-Q58 WeakPolarHBondContact O-CG 3.45Å; R54-Q58 PolarHBondContact O-N 2.89Å; E55-Q58 PolarHBondContact O-N 2.98Å; Q58-K60 VanDerWaalsContact C-N 3.33Å; Q58-K60 PolarHBondContact O-N 3.02Å; Q58-G61 PolarHBondContact O-N 3.15Å
59	K	59.1	Low	63.9	Low	137 Å²	137	125.2 Å²	125.2	60%	0.596	61%	0.613	S	S	*	*	H	α-helix	trans	-68.3	-28.4	177.9	-77	173.8	170.6	167.4	0	113.3	E55 L56 Q57 G61 V62	E55-K59 HydrophobicContact CG-CD 4.47Å; E55-K59 WeakPolarHBondContact O-CG 3.45Å; E55-K59 PolarHBondContact O-N 3.06Å; E55-K59 WeakPolarHBondContact OE1-CE 3.37Å; E55-K59 IonicContact OE1-NZ 3.5Å; E55-K59 PolarHBondContact OE1-NZ 3.17Å; L56-K59 PolarHBondContact O-N 3.26Å; Q57-K59 VanDerWaalsContact C-N 3.35Å; K59-G61 PolarHBondContact O-N 2.8Å; K59-V62 PolarHBondContact O-N 3.16Å
60	K	50.5	Low	63	Low	179 Å²	179	124.5 Å²	124.5	78%	0.778	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-15.2	175.7	-78.3	-176.5	177.3	-175.4	0	114.2	L56 Q57 Q58	L56-K60 WeakPolarHBondContact O-CG 3.35Å; L56-K60 PolarHBondContact O-N 3.41Å; Q57-K60 PolarHBondContact O-N 2.93Å; Q58-K60 VanDerWaalsContact C-N 3.33Å; Q58-K60 PolarHBondContact O-N 3.02Å
61	G	43.2	Very low	61.9	Low	67 Å²	67	127.6 Å²	127.6	69%	0.691	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-14.2	177.6	0	0	0	0	0	115.5	Q58 K59 S63	Q58-G61 PolarHBondContact O-N 3.15Å; K59-G61 PolarHBondContact O-N 2.8Å; G61-S63 PolarHBondContact O-N 3.04Å
62	V	42.5	Very low	61	Low	108 Å²	108	128.9 Å²	128.9	66%	0.655	63%	0.629	S	S	*	*			trans	-100.9	74.2	-174.2	-170.9	0	0	0	0	109.5	K59 R64	K59-V62 PolarHBondContact O-N 3.16Å; V62-R64 PolarHBondContact O-N 2.88Å
63	S	39.6	Very low	60.6	Low	96 Å²	96	125.5 Å²	125.5	67%	0.671	63%	0.626	S	S	*	*			trans	-66.3	100.5	171	-167.7	0	0	0	0	109.3	G61 R65	G61-S63 PolarHBondContact O-N 3.04Å; S63-R65 PolarHBondContact O-N 3.38Å
64	R	43.4	Very low	59.8	Low	240 Å²	240	125.7 Å²	125.7	91%	0.906	63%	0.628	S	S	*	*			trans	-73.3	52.9	170.1	-75	-177.9	166.3	177.9	-4.2	111.5	V62	V62-R64 PolarHBondContact O-N 2.88Å
65	R	38	Very low	59	Low	218 Å²	218	123.4 Å²	123.4	82%	0.823	63%	0.625	S	S	*	*			trans	-92.2	111.8	167.2	-85.3	-174.5	171.9	-177.5	-1.9	108.3	S63	S63-R65 PolarHBondContact O-N 3.38Å
66	L	50.9	Low	58.6	Low	142 Å²	142	123.8 Å²	123.8	74%	0.743	63%	0.633	S	S	*	*			trans	-50.3	134.2	168.9	-76	152.5	0	0	0	109	R68 E70	L66-R68 PolarHBondContact O-N 2.84Å; L66-E70 WeakPolarHBondContact CD2-OE2 3.19Å
67	P	54.6	Low	58.2	Low	87 Å²	87	123.5 Å²	123.5	57%	0.565	64%	0.638	S	S	*	*			trans	-59.6	130.5	-176.8	-21.4	32.3	0	0	0	110.7	A69 E70	P67-A69 PolarHBondContact O-N 2.67Å; P67-E70 PolarHBondContact O-N 3.35Å
68	R	58.3	Low	57.5	Low	207 Å²	207	123.4 Å²	123.4	78%	0.781	64%	0.641	S	S	*	*	H	α-helix	trans	-44.4	-29.9	-180	-111.7	179.4	170.6	127.1	-3.7	114.7	L66 E70 L71 D72	L66-R68 PolarHBondContact O-N 2.84Å; R68-E70 VanDerWaalsContact C-N 3.34Å; R68-E70 PolarHBondContact O-N 3.44Å; R68-L71 WeakPolarHBondContact O-CB 3.42Å; R68-L71 PolarHBondContact O-N 2.89Å; R68-L71 VanDerWaalsContact O-N 3.17Å; R68-D72 PolarHBondContact O-N 3.34Å
69	A	65.8	Low	56.3	Low	74 Å²	74	122.3 Å²	122.3	61%	0.612	64%	0.64	S	S	*	*	H	α-helix	trans	-61.1	-35.7	178	0	0	0	0	0	113.9	P67 A73	P67-A69 PolarHBondContact O-N 2.67Å; A69-A73 WeakPolarHBondContact O-CB 3.43Å; A69-A73 PolarHBondContact O-N 2.67Å; A69-A73 VanDerWaalsContact O-N 3.07Å
70	E	66.7	Low	55.4	Low	118 Å²	118	121.2 Å²	121.2	55%	0.551	65%	0.645	S	S	*	*	H	α-helix	trans	-70.6	-36.1	175	-80.7	-177.4	155	0	0	111.4	L66 P67 R68 A73 M74	L66-E70 WeakPolarHBondContact CD2-OE2 3.19Å; P67-E70 PolarHBondContact O-N 3.35Å; R68-E70 VanDerWaalsContact C-N 3.34Å; R68-E70 PolarHBondContact O-N 3.44Å; E70-A73 PolarHBondContact O-N 3.47Å; E70-M74 WeakPolarHBondContact O-CB 3.03Å; E70-M74 PolarHBondContact O-N 3.28Å
71	L	62.3	Low	54.9	Low	105 Å²	105	118.6 Å²	118.6	55%	0.55	64%	0.643	S	S	.	*	H	α-helix	trans	-66.7	-44.4	176.7	-170.6	70.2	0	0	0	111.2	R68 A73 M74 I75	R68-L71 WeakPolarHBondContact O-CB 3.42Å; R68-L71 PolarHBondContact O-N 2.89Å; R68-L71 VanDerWaalsContact O-N 3.17Å; L71-A73 VanDerWaalsContact C-N 3.34Å; L71-A73 PolarHBondContact O-N 3.02Å; L71-M74 WeakPolarHBondContact O-CB 3.37Å; L71-M74 PolarHBondContact O-N 2.98Å; L71-I75 HydrophobicContact CG-CD1 4.25Å; L71-I75 WeakPolarHBondContact O-CG1 3.34Å; L71-I75 PolarHBondContact O-N 2.84Å
72	D	68.4	Low	54.6	Low	89 Å²	89	122.8 Å²	122.8	48%	0.476	65%	0.65	S	S	.	*	H	α-helix	trans	-66.1	-36.2	177.8	-70.9	-24.9	0	0	0	111.7	R68 M74 I75 T76	R68-D72 PolarHBondContact O-N 3.34Å; D72-M74 VanDerWaalsContact C-N 3.34Å; D72-I75 PolarHBondContact O-N 2.58Å; D72-T76 WeakPolarHBondContact O-CB 3.47Å; D72-T76 PolarHBondContact O-N 2.85Å; D72-T76 PolarHBondContact O-OG1 3.14Å
73	A	72.1	Confident	54	Low	60 Å²	60	126.7 Å²	126.7	50%	0.496	66%	0.661	S	S	.	*	H	α-helix	trans	-63.9	-40	173.1	0	0	0	0	0	111.8	A69 E70 L71 T76 S77	A69-A73 WeakPolarHBondContact O-CB 3.43Å; A69-A73 PolarHBondContact O-N 2.67Å; A69-A73 VanDerWaalsContact O-N 3.07Å; E70-A73 PolarHBondContact O-N 3.47Å; L71-A73 VanDerWaalsContact C-N 3.34Å; L71-A73 PolarHBondContact O-N 3.02Å; A73-T76 PolarHBondContact O-N 3Å; A73-S77 PolarHBondContact O-N 3.05Å
74	M	63.4	Low	53.4	Low	130 Å²	130	126 Å²	126	64%	0.64	67%	0.669	S	S	*	*	H	α-helix	trans	-66.6	-42	177.5	-150.7	173.6	-170.2	0	0	111.5	E70 L71 D72 T76 S77 L78	E70-M74 WeakPolarHBondContact O-CB 3.03Å; E70-M74 PolarHBondContact O-N 3.28Å; L71-M74 WeakPolarHBondContact O-CB 3.37Å; L71-M74 PolarHBondContact O-N 2.98Å; D72-M74 VanDerWaalsContact C-N 3.34Å; M74-T76 VanDerWaalsContact C-N 3.34Å; M74-T76 PolarHBondContact O-N 2.78Å; M74-S77 PolarHBondContact O-N 3.03Å; M74-S77 PolarHBondContact O-OG 2.9Å; M74-L78 PolarHBondContact O-N 2.8Å
75	I	64.6	Low	52.6	Low	82 Å²	82	118.3 Å²	118.3	42%	0.421	67%	0.665	S	S	.	*	H	α-helix	trans	-63.4	-40.5	174.9	-66.9	166.3	0	0	0	111	L71 D72 S77 L78 N79	L71-I75 HydrophobicContact CG-CD1 4.25Å; L71-I75 WeakPolarHBondContact O-CG1 3.34Å; L71-I75 PolarHBondContact O-N 2.84Å; D72-I75 PolarHBondContact O-N 2.58Å; I75-S77 VanDerWaalsContact C-N 3.31Å; I75-S77 PolarHBondContact O-N 2.82Å; I75-L78 PolarHBondContact O-N 2.95Å; I75-N79 PolarHBondContact O-N 3Å
76	T	71.4	Confident	52.1	Low	98 Å²	98	113.9 Å²	113.9	60%	0.601	67%	0.668	S	S	*	*	H	α-helix	trans	-66	-35.8	178.4	-49.9	0	0	0	0	111.6	D72 A73 M74 L78 N79	D72-T76 WeakPolarHBondContact O-CB 3.47Å; D72-T76 PolarHBondContact O-N 2.85Å; D72-T76 PolarHBondContact O-OG1 3.14Å; A73-T76 PolarHBondContact O-N 3Å; M74-T76 VanDerWaalsContact C-N 3.34Å; M74-T76 PolarHBondContact O-N 2.78Å; T76-L78 VanDerWaalsContact C-N 3.25Å; T76-L78 PolarHBondContact O-N 2.77Å; T76-N79 PolarHBondContact O-N 3.09Å
77	S	67.8	Low	51	Low	77 Å²	77	111.1 Å²	111.1	54%	0.538	67%	0.665	S	S	.	*	H	α-helix	trans	-65.8	-27	176.7	76.7	0	0	0	0	113.7	A73 M74 I75	A73-S77 PolarHBondContact O-N 3.05Å; M74-S77 PolarHBondContact O-N 3.03Å; M74-S77 PolarHBondContact O-OG 2.9Å; I75-S77 VanDerWaalsContact C-N 3.31Å; I75-S77 PolarHBondContact O-N 2.82Å
78	L	56.3	Low	49.8	Very low	137 Å²	137	117.7 Å²	117.7	72%	0.717	69%	0.685	S	S	*	*	H	α-helix	trans	-82.1	-19.6	179.7	-71.5	167.5	0	0	0	113.1	M74 I75 T76	M74-L78 PolarHBondContact O-N 2.8Å; I75-L78 PolarHBondContact O-N 2.95Å; T76-L78 VanDerWaalsContact C-N 3.25Å; T76-L78 PolarHBondContact O-N 2.77Å
79	N	44.2	Very low	48.5	Very low	118 Å²	118	113 Å²	113	63%	0.631	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	21.9	-177.3	-78.3	-6	0	0	0	113.8	I75 T76 T81	I75-N79 PolarHBondContact O-N 3Å; T76-N79 PolarHBondContact O-N 3.09Å; N79-T81 PolarHBondContact O-N 2.89Å
80	V	40.6	Very low	46.7	Very low	114 Å²	114	113.4 Å²	113.4	69%	0.691	68%	0.678	S	S	*	*			trans	-73.2	79	166.7	-174.4	0	0	0	0	108.5	D82	V80-D82 PolarHBondContact O-N 3.34Å
81	T	38.5	Very low	45.4	Very low	123 Å²	123	113.5 Å²	113.5	76%	0.755	69%	0.686	S	S	*	*			trans	-81.8	102.2	162.7	50.8	0	0	0	0	107.3	N79 E83	N79-T81 PolarHBondContact O-N 2.89Å; T81-E83 PolarHBondContact O-N 3.01Å
82	D	37.3	Very low	44.2	Very low	155 Å²	155	111.9 Å²	111.9	83%	0.829	69%	0.688	S	S	*	*			trans	-60.5	120.7	178	-136.8	-2.9	0	0	0	109.7	V80	V80-D82 PolarHBondContact O-N 3.34Å
83	E	29.1	Very low	43	Very low	190 Å²	190	112.3 Å²	112.3	89%	0.888	69%	0.69	S	S	*	*			trans	-72.5	126.2	169.5	-76.3	-153.2	151.5	0	0	109.6	T81	T81-E83 PolarHBondContact O-N 3.01Å
84	G	27.9	Very low	41.4	Very low	82 Å²	82	117.1 Å²	117.1	85%	0.845	70%	0.7	S	S	*	*			trans	114.9	115.9	153.3	0	0	0	0	0	115.5
85	G	27.2	Very low	40.3	Very low	79 Å²	79	117.8 Å²	117.8	81%	0.814	70%	0.701	S	S	*	*			trans	124.9	91.3	155.9	0	0	0	0	0	114.4	A87	G85-A87 PolarHBondContact O-N 3.28Å
86	S	26.4	Very low	39.3	Very low	125 Å²	125	117.8 Å²	117.8	87%	0.874	71%	0.709	S	S	*	*			trans	-50.6	120	171	55.5	0	0	0	0	114.1
87	A	29.4	Very low	37.9	Very low	84 Å²	84	119.2 Å²	119.2	69%	0.694	71%	0.709	S	S	*	*			trans	-159.8	121.1	142.6	0	0	0	0	0	108.4	G85 V89	G85-A87 PolarHBondContact O-N 3.28Å; A87-V89 PolarHBondContact O-N 2.82Å; A87-V89 VanDerWaalsContact O-N 3.09Å
88	F	27.3	Very low	37	Very low	225 Å²	225	119.8 Å²	119.8	99%	0.987	71%	0.709	S	S	*	*			trans	-56.4	110.5	171.4	-94.8	-106.3	0	0	0	109.4
89	V	31	Very low	36.4	Very low	109 Å²	109	117.1 Å²	117.1	66%	0.661	70%	0.698	S	S	*	*			trans	-130.5	126.4	163.5	-177.1	0	0	0	0	107.6	A87	A87-V89 PolarHBondContact O-N 2.82Å; A87-V89 VanDerWaalsContact O-N 3.09Å
90	S	29.8	Very low	36.3	Very low	82 Å²	82	114.2 Å²	114.2	57%	0.573	69%	0.69	S	S	*	*			trans	-60.9	145.1	-171.3	39.4	0	0	0	0	113.5	A92 D93	S90-A92 PolarHBondContact O-N 2.85Å; S90-D93 PolarHBondContact O-N 3.37Å
91	V	39.2	Very low	36.5	Very low	120 Å²	120	117.7 Å²	117.7	73%	0.727	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-18.1	-175.8	175	0	0	0	0	114.2	D93 K94	V91-D93 VanDerWaalsContact C-N 3.33Å; V91-D93 PolarHBondContact O-N 2.84Å; V91-K94 PolarHBondContact O-N 2.83Å
92	A	37	Very low	36.5	Very low	71 Å²	71	116.3 Å²	116.3	59%	0.587	68%	0.678	S	S	*	*	H	α-helix	trans	-66.2	-27.8	179.6	0	0	0	0	0	114.5	S90	S90-A92 PolarHBondContact O-N 2.85Å
93	D	42.3	Very low	36.6	Very low	98 Å²	98	115.1 Å²	115.1	52%	0.524	67%	0.671	S	S	.	*	H	α-helix	trans	-78.4	-23	-176.3	-70.2	-30.6	0	0	0	112.9	S90 V91 E97	S90-D93 PolarHBondContact O-N 3.37Å; V91-D93 VanDerWaalsContact C-N 3.33Å; V91-D93 PolarHBondContact O-N 2.84Å; D93-E97 PolarHBondContact O-N 2.86Å
94	K	38.9	Very low	37	Very low	160 Å²	160	108.4 Å²	108.4	70%	0.696	65%	0.646	S	S	*	*	H	α-helix	trans	-76	-32.5	-177.9	-72.5	-169.3	176.4	-176.1	0	113.2	V91 E97 V98	V91-K94 PolarHBondContact O-N 2.83Å; K94-E97 PolarHBondContact O-N 2.92Å; K94-V98 WeakPolarHBondContact O-CG2 3.42Å; K94-V98 PolarHBondContact O-N 3.07Å
95	E	40.2	Very low	37.9	Very low	144 Å²	144	113 Å²	113	67%	0.673	64%	0.643	S	S	*	*	H	α-helix	trans	-68.4	-40.4	175.8	-72.1	-173.9	163.8	0	0	111.2	E97 V98 V99	E95-E97 VanDerWaalsContact C-N 3.32Å; E95-E97 PolarHBondContact O-N 2.79Å; E95-V98 PolarHBondContact O-N 2.81Å; E95-V99 VanDerWaalsContact O-CG2 3.29Å; E95-V99 WeakPolarHBondContact O-CG2 3.47Å; E95-V99 PolarHBondContact O-N 3.15Å
96	S	44.4	Very low	38.6	Very low	83 Å²	83	116.3 Å²	116.3	58%	0.58	64%	0.641	S	S	*	*	H	α-helix	trans	-65.5	-34.5	177.7	-170.2	0	0	0	0	112.6	A100	S96-A100 VanDerWaalsContact O-CB 3.22Å; S96-A100 WeakPolarHBondContact O-CB 3.27Å; S96-A100 PolarHBondContact O-N 2.86Å
97	E	40.8	Very low	39.1	Very low	128 Å²	128	111.7 Å²	111.7	60%	0.598	61%	0.609	S	S	*	*	H	α-helix	trans	-74	-36.1	179.5	-158.4	-179.2	-176.4	0	0	112.1	D93 K94 E95 A100 R101	D93-E97 PolarHBondContact O-N 2.86Å; K94-E97 PolarHBondContact O-N 2.92Å; E95-E97 VanDerWaalsContact C-N 3.32Å; E95-E97 PolarHBondContact O-N 2.79Å; E97-A100 PolarHBondContact O-N 3.34Å; E97-R101 WeakPolarHBondContact O-CB 3.47Å; E97-R101 PolarHBondContact O-N 3.37Å
98	V	48.3	Very low	39.8	Very low	89 Å²	89	115 Å²	115	54%	0.539	61%	0.608	S	S	.	*	H	α-helix	trans	-66.1	-44	174.3	174.4	0	0	0	0	110.7	K94 E95 R101 L102	K94-V98 WeakPolarHBondContact O-CG2 3.42Å; K94-V98 PolarHBondContact O-N 3.07Å; E95-V98 PolarHBondContact O-N 2.81Å; V98-R101 PolarHBondContact O-N 3.01Å; V98-L102 HydrophobicContact CG1-CD1 4.16Å; V98-L102 WeakPolarHBondContact O-CG 3.12Å; V98-L102 PolarHBondContact O-N 3.37Å
99	V	44	Very low	40.5	Very low	81 Å²	81	110.4 Å²	110.4	49%	0.491	59%	0.588	S	S	.	*	H	α-helix	trans	-64.4	-43.1	175.6	175.9	0	0	0	0	110.8	E95 R101 L102 L103	E95-V99 VanDerWaalsContact O-CG2 3.29Å; E95-V99 WeakPolarHBondContact O-CG2 3.47Å; E95-V99 PolarHBondContact O-N 3.15Å; V99-R101 VanDerWaalsContact C-N 3.33Å; V99-R101 PolarHBondContact O-N 3.12Å; V99-L102 PolarHBondContact O-N 2.98Å; V99-L103 HydrophobicContact CG1-CD1 3.84Å; V99-L103 HydrophobicContact CG1-CG 4.48Å; V99-L103 WeakPolarHBondContact O-CG 3.41Å; V99-L103 PolarHBondContact O-N 2.64Å
100	A	42.4	Very low	41	Very low	57 Å²	57	106.9 Å²	106.9	47%	0.471	57%	0.566	S	S	.	*	H	α-helix	trans	-63.6	-36.6	176.5	0	0	0	0	0	112.6	S96 E97 L103 S104	S96-A100 VanDerWaalsContact O-CB 3.22Å; S96-A100 WeakPolarHBondContact O-CB 3.27Å; S96-A100 PolarHBondContact O-N 2.86Å; E97-A100 PolarHBondContact O-N 3.34Å; A100-L103 PolarHBondContact O-N 3.22Å; A100-S104 PolarHBondContact O-N 2.91Å
101	R	44.2	Very low	41.5	Very low	186 Å²	186	108.5 Å²	108.5	70%	0.702	56%	0.564	S	S	*	*	H	α-helix	trans	-67.8	-40	174.7	-113	177.5	175.6	162.4	1.1	112.5	E97 V98 V99 L103 S104	E97-R101 WeakPolarHBondContact O-CB 3.47Å; E97-R101 PolarHBondContact O-N 3.37Å; V98-R101 PolarHBondContact O-N 3.01Å; V99-R101 VanDerWaalsContact C-N 3.33Å; V99-R101 PolarHBondContact O-N 3.12Å; R101-L103 VanDerWaalsContact C-N 3.28Å; R101-L103 PolarHBondContact O-N 3.11Å; R101-S104 PolarHBondContact O-N 2.89Å; R101-S104 PolarHBondContact O-OG 2.91Å
102	L	39.4	Very low	41.7	Very low	94 Å²	94	107.7 Å²	107.7	49%	0.492	56%	0.556	S	S	.	*	H	α-helix	trans	-65.9	-32.7	177	-74.6	168.3	0	0	0	112.1	V98 V99 V110	V98-L102 HydrophobicContact CG1-CD1 4.16Å; V98-L102 WeakPolarHBondContact O-CG 3.12Å; V98-L102 PolarHBondContact O-N 3.37Å; V99-L102 PolarHBondContact O-N 2.98Å; L102-V110 WeakPolarHBondContact O-CG2 3.3Å
103	L	38.7	Very low	41.7	Very low	130 Å²	130	108.3 Å²	108.3	68%	0.681	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-6	177.2	-63.9	173.6	0	0	0	113.9	V99 A100 R101 K105	V99-L103 HydrophobicContact CG1-CD1 3.84Å; V99-L103 HydrophobicContact CG1-CG 4.48Å; V99-L103 WeakPolarHBondContact O-CG 3.41Å; V99-L103 PolarHBondContact O-N 2.64Å; A100-L103 PolarHBondContact O-N 3.22Å; R101-L103 VanDerWaalsContact C-N 3.28Å; R101-L103 PolarHBondContact O-N 3.11Å; L103-K105 PolarHBondContact O-N 3.38Å
104	S	38.5	Very low	41.4	Very low	50 Å²	50	108.8 Å²	108.8	35%	0.35	55%	0.552	S	S	.	*	S	Bend	trans	-66.9	129	174.8	73.5	0	0	0	0	110	A100 R101 D106 S107	A100-S104 PolarHBondContact O-N 2.91Å; R101-S104 PolarHBondContact O-N 2.89Å; R101-S104 PolarHBondContact O-OG 2.91Å; S104-D106 PolarHBondContact O-N 3.08Å; S104-S107 VanDerWaalsContact O-CB 3.31Å; S104-S107 WeakPolarHBondContact O-CB 3.4Å; S104-S107 PolarHBondContact O-N 3.36Å
105	K	46.2	Very low	41.7	Very low	179 Å²	179	105 Å²	105	78%	0.778	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-12.7	-174.4	-74.2	-174.9	173.4	-177.1	0	114.8	L103	L103-K105 PolarHBondContact O-N 3.38Å
106	D	41.9	Very low	41.9	Very low	148 Å²	148	101.7 Å²	101.7	79%	0.791	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-4.8	177.7	-63.2	-26.1	0	0	0	113	S104 K108	S104-D106 PolarHBondContact O-N 3.08Å; D106-K108 PolarHBondContact O-N 2.93Å
107	S	38.2	Very low	41.5	Very low	27 Å²	27	101.5 Å²	101.5	19%	0.189	54%	0.54	C	S	.	.			trans	-70.6	120.8	174.3	177.7	0	0	0	0	110.5	S104 F109 V110 Q111	S104-S107 VanDerWaalsContact O-CB 3.31Å; S104-S107 WeakPolarHBondContact O-CB 3.4Å; S104-S107 PolarHBondContact O-N 3.36Å; S107-F109 PolarHBondContact O-N 2.83Å; S107-F109 PolarHBondContact OG-N 3.21Å; S107-V110 PolarHBondContact O-N 3.32Å; S107-Q111 PolarHBondContact O-N 3.14Å
108	K	43.8	Very low	41.1	Very low	154 Å²	154	98.9 Å²	98.9	67%	0.67	55%	0.547	S	S	*	.	H	α-helix	trans	-52.2	-26.7	175.7	-169.6	169.4	179.2	178.4	0	113	D106 Q111 D112	D106-K108 PolarHBondContact O-N 2.93Å; K108-Q111 PolarHBondContact O-N 3.47Å; K108-D112 PolarHBondContact O-N 2.74Å
109	F	42.2	Very low	40.7	Very low	129 Å²	129	98 Å²	98	57%	0.566	55%	0.545	S	S	*	.	H	α-helix	trans	-62.4	-41.6	173.8	-179.1	-101	0	0	0	112.9	S107 D112 L113	S107-F109 PolarHBondContact O-N 2.83Å; S107-F109 PolarHBondContact OG-N 3.21Å; F109-D112 PolarHBondContact O-N 2.84Å; F109-L113 VanDerWaalsContact O-CB 3.31Å; F109-L113 WeakPolarHBondContact O-CB 3.37Å; F109-L113 PolarHBondContact O-N 3.35Å
110	V	39.8	Very low	40.3	Very low	35 Å²	35	98.5 Å²	98.5	21%	0.212	55%	0.547	C	S	.	.	H	α-helix	trans	-69.7	-36.6	177.9	179.6	0	0	0	0	110.5	L102 S107 L113 D114	L102-V110 WeakPolarHBondContact O-CG2 3.3Å; S107-V110 PolarHBondContact O-N 3.32Å; V110-L113 PolarHBondContact O-N 3.09Å; V110-D114 WeakPolarHBondContact O-CB 3.35Å; V110-D114 PolarHBondContact O-N 2.96Å
111	Q	41	Very low	39.9	Very low	115 Å²	115	97.5 Å²	97.5	54%	0.537	54%	0.543	S	S	.	.	H	α-helix	trans	-66.6	-41.1	176.2	-66.7	-178.1	2.3	0	0	112.4	S107 K108 L113 A115	S107-Q111 PolarHBondContact O-N 3.14Å; K108-Q111 PolarHBondContact O-N 3.47Å; Q111-L113 VanDerWaalsContact C-N 3.32Å; Q111-A115 VanDerWaalsContact O-CB 3.31Å; Q111-A115 WeakPolarHBondContact O-CB 3.39Å; Q111-A115 PolarHBondContact O-N 3.08Å
112	D	44.2	Very low	39.3	Very low	103 Å²	103	90.2 Å²	90.2	55%	0.551	53%	0.526	S	S	*	.	H	α-helix	trans	-68.8	-33.2	175.9	-72.4	-19	0	0	0	111.3	K108 F109 A116	K108-D112 PolarHBondContact O-N 2.74Å; F109-D112 PolarHBondContact O-N 2.84Å; D112-A116 WeakPolarHBondContact O-CB 3.41Å; D112-A116 PolarHBondContact O-N 3.11Å; D112-A116 VanDerWaalsContact O-N 3.07Å
113	L	37.1	Very low	39.1	Very low	84 Å²	84	90.1 Å²	90.1	44%	0.44	52%	0.521	S	S	.	.	H	α-helix	trans	-72.2	-42.7	176	-166.6	67.9	0	0	0	112.3	F109 V110 Q111 A115 A116 L117	F109-L113 VanDerWaalsContact O-CB 3.31Å; F109-L113 WeakPolarHBondContact O-CB 3.37Å; F109-L113 PolarHBondContact O-N 3.35Å; V110-L113 PolarHBondContact O-N 3.09Å; Q111-L113 VanDerWaalsContact C-N 3.32Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-A116 PolarHBondContact O-N 3.36Å; L113-L117 HydrophobicContact CD1-CD1 4.16Å; L113-L117 HydrophobicContact CD2-CD1 4.36Å; L113-L117 HydrophobicContact CG-CD1 3.75Å; L113-L117 WeakPolarHBondContact O-CB 3.01Å; L113-L117 WeakPolarHBondContact O-CG 3.37Å; L113-L117 PolarHBondContact O-N 3.3Å
114	D	34.8	Very low	39.2	Very low	109 Å²	109	88.7 Å²	88.7	58%	0.583	52%	0.522	S	S	*	.	H	α-helix	trans	-66.5	-35	174.1	-91.6	-10.5	0	0	0	111.8	V110 A116 L117 G118	V110-D114 WeakPolarHBondContact O-CB 3.35Å; V110-D114 PolarHBondContact O-N 2.96Å; D114-A116 VanDerWaalsContact C-N 3.33Å; D114-L117 PolarHBondContact O-N 3.18Å; D114-G118 WeakPolarHBondContact O-CA 3.09Å; D114-G118 PolarHBondContact O-N 3.08Å
115	A	45.1	Very low	39.6	Very low	81 Å²	81	89.1 Å²	89.1	67%	0.669	52%	0.521	S	S	*	.	H	α-helix	trans	-67	-34.4	173	0	0	0	0	0	112.3	Q111 L113	Q111-A115 VanDerWaalsContact O-CB 3.31Å; Q111-A115 WeakPolarHBondContact O-CB 3.39Å; Q111-A115 PolarHBondContact O-N 3.08Å; L113-A115 VanDerWaalsContact C-N 3.34Å
116	A	44.4	Very low	39.5	Very low	74 Å²	74	81.9 Å²	81.9	61%	0.612	49%	0.49	S	S	*	.	H	α-helix	trans	-76.1	-33.5	175.7	0	0	0	0	0	112.9	D112 L113 D114	D112-A116 WeakPolarHBondContact O-CB 3.41Å; D112-A116 PolarHBondContact O-N 3.11Å; D112-A116 VanDerWaalsContact O-N 3.07Å; L113-A116 PolarHBondContact O-N 3.36Å; D114-A116 VanDerWaalsContact C-N 3.33Å
117	L	36.3	Very low	39.4	Very low	79 Å²	79	80.8 Å²	80.8	41%	0.414	48%	0.482	S	S	.	.	H	α-helix	trans	-90.8	-22.8	-177.6	-71.2	167.4	0	0	0	113.8	L113 D114 S119 V120	L113-L117 HydrophobicContact CD1-CD1 4.16Å; L113-L117 HydrophobicContact CD2-CD1 4.36Å; L113-L117 HydrophobicContact CG-CD1 3.75Å; L113-L117 WeakPolarHBondContact O-CB 3.01Å; L113-L117 WeakPolarHBondContact O-CG 3.37Å; L113-L117 PolarHBondContact O-N 3.3Å; D114-L117 PolarHBondContact O-N 3.18Å; L117-S119 PolarHBondContact O-N 2.94Å; L117-V120 CarbonylContact O-C 3.59Å; L117-V120 PolarHBondContact O-N 2.8Å
118	G	32	Very low	39.8	Very low	72 Å²	72	82.5 Å²	82.5	74%	0.742	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-9.2	-177.2	0	0	0	0	0	115.4	D114	D114-G118 WeakPolarHBondContact O-CA 3.09Å; D114-G118 PolarHBondContact O-N 3.08Å
119	S	39.8	Very low	39.9	Very low	71 Å²	71	76.1 Å²	76.1	50%	0.497	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-9.7	176.6	174.8	0	0	0	0	114.4	L117 S203	L117-S119 PolarHBondContact O-N 2.94Å; S119-S203 WeakPolarHBondContact OG-CB 3.38Å
120	V	35.7	Very low	39.7	Very low	91 Å²	91	72.6 Å²	72.6	55%	0.552	46%	0.46	S	S	*	.	S	Bend	trans	-139.8	108.4	178.9	-176.3	0	0	0	0	107.4	L117 G122	L117-V120 CarbonylContact O-C 3.59Å; L117-V120 PolarHBondContact O-N 2.8Å; V120-G122 PolarHBondContact O-N 3.24Å
121	G	35.4	Very low	39.5	Very low	37 Å²	37	72.3 Å²	72.3	38%	0.381	46%	0.464	S	S	.	.			trans	-34.8	111.3	-174.7	0	0	0	0	0	113.4	D125	G121-D125 VanDerWaalsContact CA-OD2 3.29Å; G121-D125 WeakPolarHBondContact CA-OD2 3.49Å
122	G	32	Very low	39.1	Very low	32 Å²	32	73.2 Å²	73.2	33%	0.33	48%	0.48	S	S	.	.			trans	-68.9	170.6	-176.7	0	0	0	0	0	112.6	V120 S124 D125	V120-G122 PolarHBondContact O-N 3.24Å; G122-S124 PolarHBondContact O-N 3.37Å; G122-D125 WeakPolarHBondContact O-CB 3.47Å; G122-D125 PolarHBondContact O-N 3.31Å
123	F	35.2	Very low	38.4	Very low	92 Å²	92	76.8 Å²	76.8	40%	0.404	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-22.3	-175.7	-79	-88.3	0	0	0	116.6	D125 L126 S497	F123-D125 PolarHBondContact O-N 3.02Å; F123-D125 VanDerWaalsContact O-N 3.09Å; F123-L126 HydrophobicContact CD1-CD1 3.72Å; F123-L126 HydrophobicContact CE1-CD1 4.12Å; F123-L126 WeakPolarHBondContact O-CB 3.28Å; F123-L126 PolarHBondContact O-N 3.03Å; F123-S497 VanDerWaalsContact CE2-O 3.23Å; F123-S497 WeakPolarHBondContact CE2-O 3.45Å; F123-S497 VanDerWaalsContact CZ-O 3.31Å; F123-S497 WeakPolarHBondContact CZ-O 3.48Å
124	S	40.4	Very low	38	Very low	100 Å²	100	79.4 Å²	79.4	70%	0.699	51%	0.505	S	S	*	.	H	α-helix	trans	-56.1	-22.7	169.6	-163.7	0	0	0	0	113	G122	G122-S124 PolarHBondContact O-N 3.37Å
125	D	46.7	Very low	37.8	Very low	59 Å²	59	81.7 Å²	81.7	32%	0.316	52%	0.517	S	S	.	.	H	α-helix	trans	-73.8	-28.1	176.6	-75.2	-0.3	0	0	0	113.1	G121 G122 F123 M127 A128 K154	G121-D125 VanDerWaalsContact CA-OD2 3.29Å; G121-D125 WeakPolarHBondContact CA-OD2 3.49Å; G122-D125 WeakPolarHBondContact O-CB 3.47Å; G122-D125 PolarHBondContact O-N 3.31Å; F123-D125 PolarHBondContact O-N 3.02Å; F123-D125 VanDerWaalsContact O-N 3.09Å; D125-M127 VanDerWaalsContact C-N 3.33Å; D125-A128 WeakPolarHBondContact O-CB 3.49Å; D125-A128 PolarHBondContact O-N 3.4Å; D125-K154 IonicContact OD2-NZ 3.98Å; D125-K154 PolarHBondContact OD2-NZ 3Å
126	L	44.5	Very low	37.2	Very low	27 Å²	27	82.3 Å²	82.3	14%	0.141	52%	0.517	C	S	.	.	H	α-helix	trans	-67.2	-37.2	173.5	-89.8	150	0	0	0	111	F123 A128 M129 W156 F454	F123-L126 HydrophobicContact CD1-CD1 3.72Å; F123-L126 HydrophobicContact CE1-CD1 4.12Å; F123-L126 WeakPolarHBondContact O-CB 3.28Å; F123-L126 PolarHBondContact O-N 3.03Å; L126-A128 PolarHBondContact O-N 2.86Å; L126-M129 WeakPolarHBondContact O-CB 3.39Å; L126-M129 PolarHBondContact O-N 2.61Å; L126-W156 HydrophobicContact CD2-CZ2 4.21Å; L126-F454 HydrophobicContact CB-CE2 4.09Å; L126-F454 HydrophobicContact CB-CZ 4.36Å; L126-F454 HydrophobicContact CD2-CD2 4.08Å; L126-F454 HydrophobicContact CD2-CE2 3.67Å; L126-F454 HydrophobicContact CD2-CZ 4.1Å; L126-F454 HydrophobicContact CG-CE2 4.37Å
127	M	39.8	Very low	36.4	Very low	126 Å²	126	87 Å²	87	62%	0.621	53%	0.526	S	S	*	.	H	α-helix	trans	-64.8	-24.6	174	-72.1	-76.8	-97.3	0	0	112.5	D125 M129 T130	D125-M127 VanDerWaalsContact C-N 3.33Å; M127-M129 PolarHBondContact O-N 3.35Å; M127-T130 PolarHBondContact O-N 3.37Å; M127-T130 PolarHBondContact O-OG1 3.43Å
128	A	46.3	Very low	35.9	Very low	63 Å²	63	89.3 Å²	89.3	52%	0.521	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.5	177.4	0	0	0	0	0	113.3	D125 L126 T130	D125-A128 WeakPolarHBondContact O-CB 3.49Å; D125-A128 PolarHBondContact O-N 3.4Å; L126-A128 PolarHBondContact O-N 2.86Å; A128-T130 VanDerWaalsContact C-N 3.34Å
129	M	45	Very low	35.8	Very low	19 Å²	19	89.9 Å²	89.9	9%	0.094	54%	0.542	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-26.7	174.5	-70.1	-68.9	-86	0	0	112.3	L126 M127 G131 R153 K154	L126-M129 WeakPolarHBondContact O-CB 3.39Å; L126-M129 PolarHBondContact O-N 2.61Å; M127-M129 PolarHBondContact O-N 3.35Å; M129-G131 PolarHBondContact O-N 3.48Å; M129-R153 HydrophobicContact SD-CB 4.07Å; M129-K154 WeakPolarHBondContact CE-O 3.28Å
130	T	38.5	Very low	35.2	Very low	55 Å²	55	94.4 Å²	94.4	34%	0.337	56%	0.56	S	S	.	*	S	Bend	trans	-88.9	79.6	173.1	57.2	0	0	0	0	109	M127 A128	M127-T130 PolarHBondContact O-N 3.37Å; M127-T130 PolarHBondContact O-OG1 3.43Å; A128-T130 VanDerWaalsContact C-N 3.34Å
131	G	35.9	Very low	34.7	Very low	30 Å²	30	102 Å²	102	31%	0.309	58%	0.579	S	S	.	*			trans	-63.2	141.7	166.3	0	0	0	0	0	110.1	M129 F133	M129-G131 PolarHBondContact O-N 3.48Å; G131-F133 PolarHBondContact O-N 2.93Å
132	P	32.2	Very low	34.3	Very low	133 Å²	133	105.1 Å²	105.1	86%	0.864	59%	0.594	S	S	*	*			trans	-62.2	129.3	178.4	23.4	-30.5	0	0	0	110.5	D134	P132-D134 PolarHBondContact O-N 3.2Å
133	F	29.8	Very low	34.1	Very low	179 Å²	179	111.1 Å²	111.1	79%	0.785	62%	0.618	S	S	*	*			trans	-65.9	114.4	170.5	-93.9	-101.2	0	0	0	108.8	G131	G131-F133 PolarHBondContact O-N 2.93Å
134	D	29.1	Very low	33.8	Very low	139 Å²	139	114.7 Å²	114.7	74%	0.743	64%	0.639	S	S	*	*			trans	-95.8	92.8	174.5	-160.4	-4.6	0	0	0	108.7	P132 S136	P132-D134 PolarHBondContact O-N 3.2Å; D134-S136 PolarHBondContact O-N 3.11Å; D134-S136 PolarHBondContact OD1-OG 3.12Å; D134-S136 VanDerWaalsContact OD1-OG 3.14Å
135	D	30.1	Very low	33	Very low	156 Å²	156	118.4 Å²	118.4	83%	0.834	65%	0.645	S	S	*	*			trans	-79.8	87.4	164.2	-80.8	-29.5	0	0	0	108.1
136	S	32.4	Very low	32	Very low	94 Å²	94	126.6 Å²	126.6	66%	0.657	67%	0.672	S	S	*	*			trans	-148	123.1	161.1	59.9	0	0	0	0	113.5	D134	D134-S136 PolarHBondContact O-N 3.11Å; D134-S136 PolarHBondContact OD1-OG 3.12Å; D134-S136 VanDerWaalsContact OD1-OG 3.14Å
137	E	27.1	Very low	31.3	Very low	174 Å²	174	131.2 Å²	131.2	81%	0.813	70%	0.704	S	S	*	*			trans	-63.4	158.9	-178.7	-80.5	-178.1	134.2	0	0	114.9
138	T	26.7	Very low	30.7	Very low	126 Å²	126	136.6 Å²	136.6	77%	0.773	72%	0.717	S	S	*	*			trans	79.1	109.2	144.6	49.3	0	0	0	0	120.8
139	A	28.4	Very low	30	Very low	85 Å²	85	142.9 Å²	142.9	70%	0.702	74%	0.735	S	S	*	*				57	102.2	129.8	0	0	0	0	0	117.9
140	N	28.1	Very low	29.4	Very low	165 Å²	165	150 Å²	150	88%	0.882	77%	0.769	S	S	*	*				-161.7	122.4	123.6	-93.4	-36.9	0	0	0	111.7	S142	N140-S142 PolarHBondContact O-N 3.17Å
141	R	25.2	Very low	29.5	Very low	252 Å²	252	152.6 Å²	152.6	95%	0.951	79%	0.786	S	S	*	*			trans	-71.9	115.6	166.4	-79	174.2	163.7	174.3	-4.3	109
142	S	26.3	Very low	29.7	Very low	101 Å²	101	159.1 Å²	159.1	71%	0.706	81%	0.813	S	S	*	*			trans	-173.1	126.2	142.3	47.4	0	0	0	0	112.4	N140	N140-S142 PolarHBondContact O-N 3.17Å
143	I	28.1	Very low	30.6	Very low	159 Å²	159	160.7 Å²	160.7	82%	0.815	80%	0.802	S	S	*	*			trans	58.8	103.5	148	-53.6	172.8	0	0	0	116.9	Q145	I143-Q145 PolarHBondContact O-N 3.06Å
144	I	28.6	Very low	32.3	Very low	167 Å²	167	158.4 Å²	158.4	86%	0.856	79%	0.792	S	S	*	*			trans	-26.6	95.7	163.9	-55.9	157.6	0	0	0	112.5
145	Q	25.2	Very low	34.9	Very low	177 Å²	177	156.1 Å²	156.1	83%	0.827	78%	0.783	S	S	*	*			trans	-118.1	109.6	157	-151.2	156.6	3.4	0	0	105	I143 P147	I143-Q145 PolarHBondContact O-N 3.06Å; Q145-P147 WeakPolarHBondContact O-CD 3.32Å
146	R	24.7	Very low	37.5	Very low	231 Å²	231	149.8 Å²	149.8	87%	0.872	75%	0.747	S	S	*	*			trans	-46.7	116.9	-178.4	-76.5	-177.5	-177.2	-175.7	0.1	108.4	R148	R146-R148 PolarHBondContact O-N 2.84Å
147	P	29.3	Very low	40.2	Very low	125 Å²	125	147.6 Å²	147.6	81%	0.812	74%	0.735	S	S	*	*			trans	-61	137.8	177.5	-16.9	29.5	0	0	0	108.5	Q145 E149	Q145-P147 WeakPolarHBondContact O-CD 3.32Å; P147-E149 PolarHBondContact O-N 3.27Å
148	R	28.5	Very low	43.2	Very low	239 Å²	239	142.2 Å²	142.2	90%	0.902	71%	0.714	S	S	*	*			trans	-35.2	133.4	170	-89.8	168.1	159.9	159.7	-6.6	111	R146 E150	R146-R148 PolarHBondContact O-N 2.84Å; R148-E150 PolarHBondContact O-N 2.95Å
149	E	30.2	Very low	46.2	Very low	194 Å²	194	142.3 Å²	142.3	91%	0.907	70%	0.7	S	S	*	*			trans	-27.4	104.7	170	-65	172	167.3	0	0	111.1	P147	P147-E149 PolarHBondContact O-N 3.27Å
150	E	33.3	Very low	49.1	Very low	169 Å²	169	139.2 Å²	139.2	79%	0.79	67%	0.671	S	S	*	*			trans	-53.1	129.4	166.7	-75.7	179.7	163.5	0	0	106.9	R148 L152	R148-E150 PolarHBondContact O-N 2.95Å; E150-L152 PolarHBondContact O-N 2.97Å
151	P	40.7	Very low	52.2	Low	110 Å²	110	132.2 Å²	132.2	71%	0.714	63%	0.634	S	S	*	*			trans	-57	118.9	-179	23.3	-31.4	0	0	0	107.1	R153	P151-R153 PolarHBondContact O-N 2.65Å
152	L	39.3	Very low	55.4	Low	167 Å²	167	120.3 Å²	120.3	87%	0.874	59%	0.589	S	S	*	*			trans	-39.7	96.8	-179	-73	153	0	0	0	109.7	E150 K154	E150-L152 PolarHBondContact O-N 2.97Å; L152-K154 PolarHBondContact O-N 2.64Å
153	R	51.2	Low	58.7	Low	166 Å²	166	121.9 Å²	121.9	63%	0.626	58%	0.58	S	S	*	*			trans	-64.3	103.3	174.4	-72.9	-171.4	-178.2	-161.9	1	105.9	M129 P151 T155	M129-R153 HydrophobicContact SD-CB 4.07Å; P151-R153 PolarHBondContact O-N 2.65Å; R153-T155 PolarHBondContact O-N 3.25Å
154	K	66.6	Low	61.7	Low	130 Å²	130	115.9 Å²	115.9	57%	0.565	55%	0.551	S	S	*	*			trans	-67.1	102.8	179.5	-78.7	-176.9	-176.9	175.2	0	108.1	D125 M129 L152	D125-K154 IonicContact OD2-NZ 3.98Å; D125-K154 PolarHBondContact OD2-NZ 3Å; M129-K154 WeakPolarHBondContact CE-O 3.28Å; L152-K154 PolarHBondContact O-N 2.64Å
155	T	82.6	Confident	64.9	Low	91 Å²	91	108.8 Å²	108.8	56%	0.558	52%	0.515	S	S	*	.			trans	-82.6	143.9	176.1	48.5	0	0	0	0	110.6	R153 A157	R153-T155 PolarHBondContact O-N 3.25Å; T155-A157 PolarHBondContact O-N 2.94Å
156	W	85.5	Confident	68.3	Low	24 Å²	24	109.2 Å²	109.2	9%	0.091	51%	0.514	C	S	.	.			trans	-66.9	123	171.7	-67.5	91.2	0	0	0	109.9	L126 Q476 P499 I501 F513	L126-W156 HydrophobicContact CD2-CZ2 4.21Å; W156-Q476 PolarHBondContact O-NE2 3.06Å; W156-P499 HydrophobicContact CH2-CB 3.94Å; W156-P499 WeakPolarHBondContact CH2-O 3.37Å; W156-P499 VanDerWaalsContact CZ3-C 3.49Å; W156-P499 WeakPolarHBondContact CZ3-O 3.46Å; W156-I501 HydrophobicContact CB-CD1 4.48Å; W156-I501 HydrophobicContact CD2-CD1 4.17Å; W156-I501 HydrophobicContact CD2-CG1 4.4Å; W156-I501 HydrophobicContact CE3-CD1 4.18Å; W156-I501 HydrophobicContact CE3-CG1 3.92Å; W156-I501 HydrophobicContact CG-CD1 4.32Å; W156-I501 HydrophobicContact CH2-CG2 4.18Å; W156-I501 HydrophobicContact CZ3-CG1 4.17Å; W156-I501 HydrophobicContact CZ3-CG2 4.23Å; W156-F513 HydrophobicContact CB-CB 4.4Å; W156-F513 HydrophobicContact CE3-CB 4.17Å; W156-F513 WeakPolarHBondContact CZ3-O 3.43Å
157	A	89.1	Confident	71.7	Confident	48 Å²	48	100.8 Å²	100.8	40%	0.397	49%	0.486	S	S	.	.			trans	-122	147.7	178.4	0	0	0	0	0	110.7	T155 R159 F513 M514	T155-A157 PolarHBondContact O-N 2.94Å; A157-R159 PolarHBondContact O-N 2.76Å; A157-F513 VanDerWaalsContact O-CA 3.23Å; A157-F513 WeakPolarHBondContact O-CA 3.39Å; A157-F513 WeakPolarHBondContact O-CB 3.19Å; A157-M514 PolarHBondContact O-N 3.16Å
158	V	90.5	Very high	75	Confident	60 Å²	60	95.1 Å²	95.1	36%	0.364	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	121.7	173.6	179.9	0	0	0	0	108.9	K511 F513	V158-K511 HydrophobicContact CG1-CB 4.39Å; V158-K511 HydrophobicContact CG1-CD 4.34Å; V158-K511 HydrophobicContact CG2-CD 4.25Å; V158-F513 HydrophobicContact CB-CD1 4.39Å; V158-F513 HydrophobicContact CB-CE1 4.36Å; V158-F513 HydrophobicContact CG2-CD1 3.7Å; V158-F513 HydrophobicContact CG2-CE1 3.26Å; V158-F513 HydrophobicContact CG2-CZ 3.84Å
159	R	89.2	Confident	78.3	Confident	128 Å²	128	83.7 Å²	83.7	48%	0.483	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-46.9	177.2	-67.6	-66.3	-170.1	151.5	1.9	111.7	A157 I512 M514	A157-R159 PolarHBondContact O-N 2.76Å; R159-I512 PolarHBondContact N-O 3.38Å; R159-M514 HydrophobicContact CB-CE 3.68Å; R159-M514 HydrophobicContact CG-CB 3.84Å; R159-M514 HydrophobicContact CG-CE 3.57Å; R159-M514 HydrophobicContact CG-CG 4.05Å; R159-M514 PolarHBondContact NE-O 3.19Å; R159-M514 PolarHBondContact NH2-O 3.12Å
160	F	88.4	Confident	81.5	Confident	21 Å²	21	77.1 Å²	77.1	9%	0.092	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.5	-178.4	-48.3	-57.7	0	0	0	110.2	S198 F221 K511 I512 M514	F160-S198 WeakPolarHBondContact CE1-OG 3.23Å; F160-S198 WeakPolarHBondContact CZ-OG 3.28Å; F160-F221 HydrophobicContact CB-CE2 4.03Å; F160-F221 AromaticContact CD1-CE2 3.45Å; F160-F221 HydrophobicContact CD1-CE2 3.45Å; F160-F221 VanDerWaalsContact CD1-CE2 3.45Å; F160-F221 AromaticContact CD1-CZ 3.7Å; F160-F221 HydrophobicContact CD1-CZ 3.7Å; F160-F221 HydrophobicContact CD2-CZ 4.48Å; F160-F221 HydrophobicContact CE1-CE2 4.09Å; F160-F221 AromaticContact CE1-CZ 3.95Å; F160-F221 HydrophobicContact CE1-CZ 3.95Å; F160-F221 AromaticContact CG-CE2 3.81Å; F160-F221 HydrophobicContact CG-CE2 3.81Å; F160-F221 AromaticContact CG-CZ 4Å; F160-F221 HydrophobicContact CG-CZ 4Å; F160-F221 HydrophobicContact CZ-CZ 4.44Å; F160-K511 WeakPolarHBondContact O-CA 3.48Å; F160-I512 HydrophobicContact CB-CB 4.11Å; F160-I512 HydrophobicContact CB-CG1 4.28Å; F160-I512 HydrophobicContact CD2-CB 3.99Å; F160-I512 HydrophobicContact CD2-CG1 4.49Å; F160-I512 HydrophobicContact CD2-CG2 4.1Å; F160-I512 PolarHBondContact N-O 3.2Å; F160-I512 PolarHBondContact O-N 3.05Å; F160-M514 HydrophobicContact CD2-CE 4.3Å; F160-M514 HydrophobicContact CE2-CE 3.38Å; F160-M514 HydrophobicContact CE2-SD 4.4Å; F160-M514 HydrophobicContact CZ-CE 3.72Å
161	T	93.2	Very high	84.6	Confident	18 Å²	18	69.4 Å²	69.4	11%	0.11	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	117.1	170.3	-56.7	0	0	0	0	107.2	R163 L509 A510 K511	T161-R163 HydrophobicContact CG2-CG 3.98Å; T161-R163 VanDerWaalsContact CG2-CZ 3.4Å; T161-R163 PolarHBondContact O-NH1 2.85Å; T161-L509 HydrophobicContact CG2-CB 4.29Å; T161-L509 HydrophobicContact CG2-CD1 4.03Å; T161-L509 HydrophobicContact CG2-CD2 4.36Å; T161-L509 HydrophobicContact CG2-CG 4.48Å; T161-A510 CarbonylContact C-O 3.58Å; T161-A510 WeakPolarHBondContact CA-O 3.44Å; T161-K511 HydrophobicContact CG2-CG 4.11Å
162	L	94	Very high	87.4	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.7	-177.5	-49.9	175.9	0	0	0	107.5	V181 W193 F221 A510 I512	L162-V181 HydrophobicContact CD1-CG1 3.86Å; L162-W193 HydrophobicContact CB-CD2 4.21Å; L162-W193 HydrophobicContact CB-CE3 4.06Å; L162-W193 HydrophobicContact CB-CH2 3.71Å; L162-W193 HydrophobicContact CB-CZ2 3.93Å; L162-W193 HydrophobicContact CB-CZ3 3.81Å; L162-W193 HydrophobicContact CD1-CB 4.23Å; L162-W193 HydrophobicContact CD1-CD2 3.78Å; L162-W193 HydrophobicContact CD1-CE3 4.25Å; L162-W193 HydrophobicContact CD1-CG 3.78Å; L162-W193 HydrophobicContact CD2-CD2 4.26Å; L162-W193 HydrophobicContact CD2-CE3 3.89Å; L162-W193 HydrophobicContact CD2-CZ3 4.27Å; L162-W193 HydrophobicContact CG-CD2 4.29Å; L162-W193 HydrophobicContact CG-CE3 4.28Å; L162-W193 HydrophobicContact CG-CZ3 4.5Å; L162-F221 HydrophobicContact CD2-CB 3.7Å; L162-F221 HydrophobicContact CD2-CD2 4.12Å; L162-F221 HydrophobicContact CD2-CG 3.88Å; L162-A510 HydrophobicContact CB-CB 4.12Å; L162-A510 HydrophobicContact CD1-CB 4.08Å; L162-A510 HydrophobicContact CG-CB 4.45Å; L162-A510 PolarHBondContact N-O 2.98Å; L162-A510 PolarHBondContact O-N 3.01Å; L162-I512 HydrophobicContact CD1-CD1 4.4Å; L162-I512 HydrophobicContact CD1-CG1 4.36Å
163	R	93.6	Very high	90.1	Very high	135 Å²	135	58.1 Å²	58.1	51%	0.509	27%	0.274	S	S	.	.			trans	-125.3	42.4	-164.7	-59.2	-167.9	169.2	75	3.3	114.6	T161 L509	T161-R163 HydrophobicContact CG2-CG 3.98Å; T161-R163 VanDerWaalsContact CG2-CZ 3.4Å; T161-R163 PolarHBondContact O-NH1 2.85Å; R163-L509 HydrophobicContact CB-CD2 4.3Å; R163-L509 HydrophobicContact CG-CD2 3.84Å
164	C	92.1	Very high	92.3	Very high	33 Å²	33	50.7 Å²	50.7	22%	0.223	25%	0.246	C	C	.	.			trans	-114.6	-6.1	-174	-162.4	0	0	0	0	114.6	K191 W193 P223	C164-K191 HydrophobicContact CB-CD 3.96Å; C164-K191 VanDerWaalsContact O-CE 3.25Å; C164-K191 WeakPolarHBondContact O-CE 3.19Å; C164-W193 HydrophobicContact CB-CH2 3.34Å; C164-W193 HydrophobicContact CB-CZ2 4.21Å; C164-W193 HydrophobicContact CB-CZ3 4.01Å; C164-P223 HydrophobicContact CB-CG 4.29Å
165	H	95.9	Very high	93.7	Very high	18 Å²	18	45 Å²	45	8%	0.083	22%	0.222	C	C	.	.			trans	-82.1	143.8	174	-78.5	-63.4	0	0	0	110.9	V169 S183 S185 D187	H165-V169 HydrophobicContact CB-CG2 3.82Å; H165-S183 PolarHBondContact CD2-OG 3.14Å; H165-S183 PolarHBondContact NE2-O 2.74Å; H165-S183 PolarHBondContact NE2-OG 2.81Å; H165-S185 WeakPolarHBondContact CE1-CB 3.46Å; H165-S185 WeakPolarHBondContact ND1-CB 3.36Å; H165-S185 PolarHBondContact ND1-OG 3.45Å; H165-D187 WeakPolarHBondContact CA-OD2 3.41Å; H165-D187 WeakPolarHBondContact CB-OD2 3.36Å; H165-D187 IonicContact CE1-OD1 2.7Å; H165-D187 IonicContact CE1-OD2 3.44Å; H165-D187 IonicContact CG-OD2 3.1Å; H165-D187 IonicContact ND1-OD1 2.76Å; H165-D187 PolarHBondContact ND1-OD1 3.13Å; H165-D187 IonicContact ND1-OD2 2.67Å; H165-D187 PolarHBondContact ND1-OD2 3.48Å
166	F	95.8	Very high	94.2	Very high	185 Å²	185	42.3 Å²	42.3	81%	0.811	21%	0.206	S	C	*	.	S	Bend	trans	-92.4	-9	179.9	-64.4	-70.1	0	0	0	112.9	D187	F166-D187 HydrophobicContact CB-CB 4.24Å; F166-D187 PolarHBondContact N-OD2 3.06Å
167	D	97	Very high	94.3	Very high	54 Å²	54	46 Å²	46	29%	0.289	23%	0.23	S	C	.	.	S	Bend	trans	-145.9	-175.3	176.1	-145.8	-12.7	0	0	0	111.5	V169 S185 E186 D187 K484 G508	D167-V169 PolarHBondContact O-N 2.69Å; D167-S185 PolarHBondContact O-OG 3.34Å; D167-E186 HydrophobicContact CB-CB 4.11Å; D167-D187 HydrophobicContact CB-CB 4.33Å; D167-K484 IonicContact OD1-NZ 3.98Å; D167-K484 PolarHBondContact OD1-NZ 3.2Å; D167-G508 WeakPolarHBondContact O-CA 3.32Å
168	C	97.9	Very high	94.2	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.041	23%	0.225	C	C	.	.			trans	-44.4	130.7	179	-61.9	0	0	0	0	113.1	S185 E186 F490 A506	C168-S185 CarbonylContact O-C 3.59Å; C168-S185 VanDerWaalsContact O-CA 3.25Å; C168-S185 WeakPolarHBondContact O-CA 3.41Å; C168-S185 PolarHBondContact O-OG 2.75Å; C168-S185 VanDerWaalsContact O-OG 3.08Å; C168-E186 HydrophobicContact CB-CB 4.32Å; C168-E186 HydrophobicContact CB-CG 3.82Å; C168-E186 PolarHBondContact O-N 2.85Å; C168-F490 HydrophobicContact CB-CD2 4.39Å; C168-F490 HydrophobicContact CB-CE2 3.82Å; C168-A506 PolarHBondContact SG-O 3.19Å
169	V	98.4	Very high	94.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	111	175	-173.2	0	0	0	0	108.9	H165 D167 A184 A504 G505	H165-V169 HydrophobicContact CB-CG2 3.82Å; D167-V169 PolarHBondContact O-N 2.69Å; V169-A184 CarbonylContact C-O 3.57Å; V169-A184 WeakPolarHBondContact CA-O 3.4Å; V169-A184 VanDerWaalsContact CG1-O 3.3Å; V169-A184 WeakPolarHBondContact CG1-O 3.27Å; V169-A504 HydrophobicContact CB-CB 3.85Å; V169-A504 HydrophobicContact CG1-CB 3.54Å; V169-G505 PolarHBondContact N-O 2.7Å; V169-G505 PolarHBondContact O-N 2.92Å
170	R	98.2	Very high	94.3	Very high	55 Å²	55	37.7 Å²	37.7	21%	0.208	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-33.5	-170.9	-78.2	-68.7	-160.2	175.4	-1.3	114.7	A184 E186 V234 L235 S491	R170-A184 PolarHBondContact N-O 3.46Å; R170-E186 HydrophobicContact CG-CG 3.77Å; R170-E186 IonicContact CZ-OE1 3.66Å; R170-E186 IonicContact NE-OE1 3.72Å; R170-E186 PolarHBondContact NE-OE1 3.02Å; R170-E186 IonicContact NH2-OE1 2.85Å; R170-E186 PolarHBondContact NH2-OE1 3.29Å; R170-V234 WeakPolarHBondContact CB-O 3.46Å; R170-L235 HydrophobicContact CG-CD2 4.27Å; R170-S491 WeakPolarHBondContact O-CB 3.24Å
171	A	98.3	Very high	94.7	Very high	8 Å²	8	36.7 Å²	36.7	7%	0.066	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	144.4	179.7	0	0	0	0	0	111.5	S183 A184 M237	A171-S183 CarbonylContact O-C 3.54Å; A171-S183 WeakPolarHBondContact O-CA 3.27Å; A171-A184 HydrophobicContact CB-CB 4.18Å; A171-A184 PolarHBondContact N-O 2.84Å; A171-A184 PolarHBondContact O-N 3.26Å; A171-M237 HydrophobicContact CB-CB 3.95Å
172	I	97.9	Very high	94.9	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133.7	174.4	-166.4	155.4	0	0	0	110.3	V181 L182 S491 A493 A502 A504 A510	I172-V181 HydrophobicContact CD1-CG2 3.82Å; I172-V181 HydrophobicContact CG1-CG2 3.45Å; I172-V181 VanDerWaalsContact CG1-CG2 3.45Å; I172-L182 WeakPolarHBondContact CA-O 3.45Å; I172-L182 WeakPolarHBondContact CG1-O 3.29Å; I172-S491 PolarHBondContact N-OG 3.24Å; I172-S491 VanDerWaalsContact N-OG 3.13Å; I172-A493 HydrophobicContact CG2-CB 4.27Å; I172-A502 HydrophobicContact CD1-CB 3.69Å; I172-A502 HydrophobicContact CG1-CB 4.01Å; I172-A502 HydrophobicContact CG2-CB 4.32Å; I172-A504 HydrophobicContact CB-CB 4Å; I172-A504 HydrophobicContact CD1-CB 4.31Å; I172-A504 HydrophobicContact CG2-CB 4.09Å; I172-A510 HydrophobicContact CD1-CB 3.61Å
173	V	97.7	Very high	95.1	Very high	35 Å²	35	35.8 Å²	35.8	21%	0.212	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	138.1	-177	-175.7	0	0	0	0	110	V181 L182 M237 L239	V173-V181 WeakPolarHBondContact O-CA 3.26Å; V173-V181 WeakPolarHBondContact O-CG2 3.42Å; V173-L182 PolarHBondContact N-O 3.11Å; V173-L182 PolarHBondContact O-N 2.94Å; V173-M237 HydrophobicContact CB-SD 4.38Å; V173-M237 HydrophobicContact CG2-CB 4.36Å; V173-M237 HydrophobicContact CG2-CG 4.37Å; V173-M237 HydrophobicContact CG2-SD 4.28Å; V173-L239 HydrophobicContact CG1-CD1 3.89Å; V173-L239 HydrophobicContact CG1-CG 3.88Å
174	F	97	Very high	95.3	Very high	10 Å²	10	29.4 Å²	29.4	4%	0.044	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	144	170.8	-75.1	-73	0	0	0	111.2	V181 L195 L239 A493 H495 I500 A502 I512	F174-V181 HydrophobicContact CD1-CB 3.93Å; F174-V181 HydrophobicContact CD1-CG2 4.2Å; F174-V181 HydrophobicContact CE1-CB 3.96Å; F174-V181 HydrophobicContact CE1-CG2 4.17Å; F174-L195 HydrophobicContact CE1-CD1 4.01Å; F174-L239 WeakPolarHBondContact O-CD1 3.31Å; F174-A493 HydrophobicContact CD2-CB 4.03Å; F174-A493 HydrophobicContact CE2-CB 4.28Å; F174-H495 HydrophobicContact CD1-CB 4.36Å; F174-H495 AromaticContact CD1-CD2 3.67Å; F174-H495 HydrophobicContact CD2-CB 3.89Å; F174-H495 HydrophobicContact CE2-CB 4.1Å; F174-H495 HydrophobicContact CG-CB 4.02Å; F174-H495 AromaticContact CG-CD2 3.95Å; F174-H495 HydrophobicContact CZ-CB 4.43Å; F174-I500 HydrophobicContact CE1-CG2 4.09Å; F174-I500 HydrophobicContact CZ-CB 4.43Å; F174-I500 HydrophobicContact CZ-CG2 3.69Å; F174-A502 HydrophobicContact CE2-CB 3.52Å; F174-A502 HydrophobicContact CZ-CB 3.52Å; F174-I512 HydrophobicContact CE1-CD1 4.43Å; F174-I512 HydrophobicContact CZ-CD1 4.23Å
175	H	95.9	Very high	95.6	Very high	12 Å²	12	27.8 Å²	27.8	6%	0.056	14%	0.141	C	C	.	.			trans	-61.7	143	167.5	-171.5	-66.8	0	0	0	110.3	V177 E178 I180 G243	H175-V177 PolarHBondContact ND1-N 2.96Å; H175-V177 VanDerWaalsContact ND1-N 3.19Å; H175-V177 PolarHBondContact O-N 2.97Å; H175-E178 HydrophobicContact CB-CB 4.37Å; H175-E178 PolarHBondContact ND1-N 2.75Å; H175-I180 HydrophobicContact CB-CB 3.88Å; H175-I180 HydrophobicContact CB-CG2 4.42Å; H175-I180 PolarHBondContact N-O 2.97Å; H175-G243 PolarHBondContact NE2-O 2.78Å
176	P	92.8	Very high	95.7	Very high	34 Å²	34	29 Å²	29	22%	0.221	15%	0.146	C	C	.	.	S	Bend	trans	-57.8	-18.1	-177.5	17.3	-31.4	0	0	0	116.1	P241 P496	P176-P241 WeakPolarHBondContact CG-O 3.17Å; P176-P496 WeakPolarHBondContact O-CG 3.45Å
177	V	87.4	Confident	95.8	Very high	100 Å²	100	21.9 Å²	21.9	61%	0.606	12%	0.117	S	C	*	.	S	Bend	trans	-144.8	-51.8	-165.1	-178.4	0	0	0	0	110.6	H175	H175-V177 PolarHBondContact ND1-N 2.96Å; H175-V177 VanDerWaalsContact ND1-N 3.19Å; H175-V177 PolarHBondContact O-N 2.97Å
178	E	86.9	Confident	95.8	Very high	62 Å²	62	20.4 Å²	20.4	29%	0.29	11%	0.112	S	C	.	.	S	Bend	trans	-75.8	152.4	-178.8	-56.5	-162.3	157.6	0	0	111.6	H175 I180 P263	H175-E178 HydrophobicContact CB-CB 4.37Å; H175-E178 PolarHBondContact ND1-N 2.75Å; E178-I180 HydrophobicContact CB-CB 4.49Å; E178-I180 HydrophobicContact CB-CD1 3.89Å; E178-I180 HydrophobicContact CB-CG1 4.02Å; E178-I180 PolarHBondContact O-N 3.03Å; E178-I180 WeakPolarHBondContact OE2-CD1 3.38Å; E178-P263 WeakPolarHBondContact OE2-CG 3.27Å
179	A	89.5	Confident	95.8	Very high	1 Å²	1	21 Å²	21	1%	0.008	12%	0.115	C	C	.	.	S	Bend	trans	-78.8	63.2	174.1	0	0	0	0	0	110.3	L195 Q196 L199	A179-L195 HydrophobicContact CB-CB 4.4Å; A179-L195 WeakPolarHBondContact O-CA 3.43Å; A179-L195 WeakPolarHBondContact O-CB 3.36Å; A179-L195 PolarHBondContact O-N 2.77Å; A179-Q196 HydrophobicContact CB-CG 3.83Å; A179-L199 HydrophobicContact CB-CD1 3.55Å
180	I	92.8	Very high	95.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.3	-179.8	-67	173.5	0	0	0	108.1	H175 E178 L192 W193 P263	H175-I180 HydrophobicContact CB-CB 3.88Å; H175-I180 HydrophobicContact CB-CG2 4.42Å; H175-I180 PolarHBondContact N-O 2.97Å; E178-I180 HydrophobicContact CB-CB 4.49Å; E178-I180 HydrophobicContact CB-CD1 3.89Å; E178-I180 HydrophobicContact CB-CG1 4.02Å; E178-I180 PolarHBondContact O-N 3.03Å; E178-I180 WeakPolarHBondContact OE2-CD1 3.38Å; I180-L192 HydrophobicContact CD1-CD2 4.33Å; I180-L192 HydrophobicContact CG2-CD1 4.19Å; I180-L192 HydrophobicContact CG2-CD2 3.74Å; I180-L192 HydrophobicContact CG2-CG 3.66Å; I180-W193 VanDerWaalsContact CA-O 3.26Å; I180-W193 WeakPolarHBondContact CA-O 3.17Å; I180-P263 HydrophobicContact CD1-CB 4.07Å
181	V	95.6	Very high	95.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147.7	168.1	63	0	0	0	0	108.7	L162 I172 V173 F174 W193 L195 I512	L162-V181 HydrophobicContact CD1-CG1 3.86Å; I172-V181 HydrophobicContact CD1-CG2 3.82Å; I172-V181 HydrophobicContact CG1-CG2 3.45Å; I172-V181 VanDerWaalsContact CG1-CG2 3.45Å; V173-V181 WeakPolarHBondContact O-CA 3.26Å; V173-V181 WeakPolarHBondContact O-CG2 3.42Å; F174-V181 HydrophobicContact CD1-CB 3.93Å; F174-V181 HydrophobicContact CD1-CG2 4.2Å; F174-V181 HydrophobicContact CE1-CB 3.96Å; F174-V181 HydrophobicContact CE1-CG2 4.17Å; V181-W193 HydrophobicContact CG1-CB 3.66Å; V181-W193 HydrophobicContact CG1-CG 4.04Å; V181-W193 PolarHBondContact N-O 3.09Å; V181-W193 VanDerWaalsContact O-CD1 3.24Å; V181-W193 PolarHBondContact O-N 3.39Å; V181-L195 HydrophobicContact CB-CD1 4.34Å; V181-L195 HydrophobicContact CG1-CD1 4Å; V181-L195 HydrophobicContact CG1-CD2 4.19Å; V181-L195 HydrophobicContact CG1-CG 4.19Å; V181-I512 HydrophobicContact CG1-CD1 4.22Å; V181-I512 HydrophobicContact CG2-CD1 4.43Å
182	L	97.5	Very high	95.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.7	173.9	-70.1	152.9	0	0	0	109.1	I172 V173 V190 K191 L192 F227 M237 L239 C246 M260	I172-L182 WeakPolarHBondContact CA-O 3.45Å; I172-L182 WeakPolarHBondContact CG1-O 3.29Å; V173-L182 PolarHBondContact N-O 3.11Å; V173-L182 PolarHBondContact O-N 2.94Å; L182-V190 HydrophobicContact CD2-CG1 4.35Å; L182-K191 CarbonylContact C-O 3.57Å; L182-K191 VanDerWaalsContact CA-O 3.29Å; L182-K191 WeakPolarHBondContact CA-O 3.34Å; L182-L192 HydrophobicContact CD2-CB 3.68Å; L182-L192 HydrophobicContact CD2-CD1 4.04Å; L182-L192 HydrophobicContact CD2-CG 3.86Å; L182-F227 HydrophobicContact CD2-CE2 3.7Å; L182-F227 HydrophobicContact CD2-CZ 4.32Å; L182-M237 HydrophobicContact CB-CE 4.1Å; L182-M237 HydrophobicContact CB-SD 3.5Å; L182-M237 WeakPolarHBondContact CB-SD 3.45Å; L182-M237 HydrophobicContact CD1-SD 4.3Å; L182-M237 HydrophobicContact CG-SD 4.46Å; L182-L239 HydrophobicContact CD1-CD1 4.1Å; L182-L239 HydrophobicContact CD1-CD2 3.6Å; L182-L239 HydrophobicContact CD1-CG 4.26Å; L182-C246 HydrophobicContact CD1-CB 4.46Å; L182-M260 HydrophobicContact CD1-CE 3.68Å; L182-M260 HydrophobicContact CD1-SD 4.3Å
183	S	98.1	Very high	95.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.9	175.6	59.3	0	0	0	0	111.2	H165 A171 V190 K191 W193	H165-S183 PolarHBondContact CD2-OG 3.14Å; H165-S183 PolarHBondContact NE2-O 2.74Å; H165-S183 PolarHBondContact NE2-OG 2.81Å; A171-S183 CarbonylContact O-C 3.54Å; A171-S183 WeakPolarHBondContact O-CA 3.27Å; S183-V190 CarbonylContact O-C 3.48Å; S183-V190 VanDerWaalsContact O-CA 3.26Å; S183-V190 WeakPolarHBondContact O-CA 3.4Å; S183-V190 WeakPolarHBondContact O-CG1 3.38Å; S183-K191 PolarHBondContact N-O 3.03Å; S183-K191 PolarHBondContact O-N 3.34Å; S183-W193 PolarHBondContact OG-NE1 3.3Å
184	A	98.3	Very high	94.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.9	173.7	0	0	0	0	0	110.3	V169 R170 A171 V190 V234 M237	V169-A184 CarbonylContact C-O 3.57Å; V169-A184 WeakPolarHBondContact CA-O 3.4Å; V169-A184 VanDerWaalsContact CG1-O 3.3Å; V169-A184 WeakPolarHBondContact CG1-O 3.27Å; R170-A184 PolarHBondContact N-O 3.46Å; A171-A184 HydrophobicContact CB-CB 4.18Å; A171-A184 PolarHBondContact N-O 2.84Å; A171-A184 PolarHBondContact O-N 3.26Å; A184-V190 HydrophobicContact CB-CG2 3.92Å; A184-V234 HydrophobicContact CB-CB 3.92Å; A184-V234 HydrophobicContact CB-CG1 3.58Å; A184-M237 HydrophobicContact CB-CE 3.37Å
185	S	98.5	Very high	94.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	160.9	-171.6	172.6	0	0	0	0	113.2	H165 D167 C168 D187 A188 T189 V234	H165-S185 WeakPolarHBondContact CE1-CB 3.46Å; H165-S185 WeakPolarHBondContact ND1-CB 3.36Å; H165-S185 PolarHBondContact ND1-OG 3.45Å; D167-S185 PolarHBondContact O-OG 3.34Å; C168-S185 CarbonylContact O-C 3.59Å; C168-S185 VanDerWaalsContact O-CA 3.25Å; C168-S185 WeakPolarHBondContact O-CA 3.41Å; C168-S185 PolarHBondContact O-OG 2.75Å; C168-S185 VanDerWaalsContact O-OG 3.08Å; S185-D187 VanDerWaalsContact CB-OD1 3.28Å; S185-D187 WeakPolarHBondContact CB-OD1 3.35Å; S185-D187 PolarHBondContact O-N 3.12Å; S185-D187 PolarHBondContact OG-N 2.8Å; S185-D187 VanDerWaalsContact OG-N 3.16Å; S185-D187 PolarHBondContact OG-OD1 2.69Å; S185-D187 PolarHBondContact OG-OD2 3.5Å; S185-A188 PolarHBondContact O-N 2.94Å; S185-T189 PolarHBondContact N-O 3.49Å; S185-T189 VanDerWaalsContact N-O 3.16Å; S185-V234 PolarHBondContact O-N 3.05Å
186	E	98.3	Very high	93.8	Very high	43 Å²	43	20.8 Å²	20.8	20%	0.201	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.3	171.2	-60.9	-166.2	161.2	0	0	113.1	D167 C168 R170 A188 P233	D167-E186 HydrophobicContact CB-CB 4.11Å; C168-E186 HydrophobicContact CB-CB 4.32Å; C168-E186 HydrophobicContact CB-CG 3.82Å; C168-E186 PolarHBondContact O-N 2.85Å; R170-E186 HydrophobicContact CG-CG 3.77Å; R170-E186 IonicContact CZ-OE1 3.66Å; R170-E186 IonicContact NE-OE1 3.72Å; R170-E186 PolarHBondContact NE-OE1 3.02Å; R170-E186 IonicContact NH2-OE1 2.85Å; R170-E186 PolarHBondContact NH2-OE1 3.29Å; E186-A188 PolarHBondContact O-N 2.64Å; E186-P233 HydrophobicContact CB-CB 4.11Å; E186-P233 HydrophobicContact CB-CG 4.32Å; E186-P233 HydrophobicContact CG-CB 4.14Å
187	D	97.7	Very high	92.8	Very high	35 Å²	35	27.1 Å²	27.1	19%	0.187	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	11.4	170.4	68.9	21	0	0	0	114.4	H165 F166 D167 S185 T189	H165-D187 WeakPolarHBondContact CA-OD2 3.41Å; H165-D187 WeakPolarHBondContact CB-OD2 3.36Å; H165-D187 IonicContact CE1-OD1 2.7Å; H165-D187 IonicContact CE1-OD2 3.44Å; H165-D187 IonicContact CG-OD2 3.1Å; H165-D187 IonicContact ND1-OD1 2.76Å; H165-D187 PolarHBondContact ND1-OD1 3.13Å; H165-D187 IonicContact ND1-OD2 2.67Å; H165-D187 PolarHBondContact ND1-OD2 3.48Å; F166-D187 HydrophobicContact CB-CB 4.24Å; F166-D187 PolarHBondContact N-OD2 3.06Å; D167-D187 HydrophobicContact CB-CB 4.33Å; S185-D187 VanDerWaalsContact CB-OD1 3.28Å; S185-D187 WeakPolarHBondContact CB-OD1 3.35Å; S185-D187 PolarHBondContact O-N 3.12Å; S185-D187 PolarHBondContact OG-N 2.8Å; S185-D187 VanDerWaalsContact OG-N 3.16Å; S185-D187 PolarHBondContact OG-OD1 2.69Å; S185-D187 PolarHBondContact OG-OD2 3.5Å; D187-T189 PolarHBondContact O-N 3.24Å; D187-T189 WeakPolarHBondContact OD1-CA 3.45Å; D187-T189 WeakPolarHBondContact OD1-CB 3.45Å; D187-T189 PolarHBondContact OD1-N 2.98Å; D187-T189 PolarHBondContact OD1-OG1 2.84Å
188	A	97.9	Very high	91.8	Very high	24 Å²	24	22.6 Å²	22.6	20%	0.198	11%	0.111	C	C	.	.	S	Bend	trans	63.8	14.4	-178.4	0	0	0	0	0	115.1	S185 E186 G232	S185-A188 PolarHBondContact O-N 2.94Å; E186-A188 PolarHBondContact O-N 2.64Å; A188-G232 WeakPolarHBondContact CA-O 3.46Å; A188-G232 WeakPolarHBondContact CB-O 3.21Å
189	T	97	Very high	91	Very high	17 Å²	17	21.1 Å²	21.1	10%	0.104	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	155.6	178.4	75.6	0	0	0	0	113.1	S185 D187 T226	S185-T189 PolarHBondContact N-O 3.49Å; S185-T189 VanDerWaalsContact N-O 3.16Å; D187-T189 PolarHBondContact O-N 3.24Å; D187-T189 WeakPolarHBondContact OD1-CA 3.45Å; D187-T189 WeakPolarHBondContact OD1-CB 3.45Å; D187-T189 PolarHBondContact OD1-N 2.98Å; D187-T189 PolarHBondContact OD1-OG1 2.84Å; T189-T226 HydrophobicContact CG2-CG2 4.11Å
190	V	97.4	Very high	89.7	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.1	165	176.7	0	0	0	0	108.4	L182 S183 A184 T226 F227 V234 M237 T248	L182-V190 HydrophobicContact CD2-CG1 4.35Å; S183-V190 CarbonylContact O-C 3.48Å; S183-V190 VanDerWaalsContact O-CA 3.26Å; S183-V190 WeakPolarHBondContact O-CA 3.4Å; S183-V190 WeakPolarHBondContact O-CG1 3.38Å; A184-V190 HydrophobicContact CB-CG2 3.92Å; V190-T226 CarbonylContact O-C 3.6Å; V190-T226 WeakPolarHBondContact O-CA 3.49Å; V190-F227 HydrophobicContact CB-CB 4.11Å; V190-F227 HydrophobicContact CB-CD2 3.88Å; V190-F227 HydrophobicContact CB-CG 4.37Å; V190-F227 HydrophobicContact CG1-CD2 3.75Å; V190-F227 HydrophobicContact CG1-CE2 4.24Å; V190-F227 PolarHBondContact N-O 2.76Å; V190-F227 WeakPolarHBondContact O-CD2 3.33Å; V190-F227 PolarHBondContact O-N 2.87Å; V190-V234 HydrophobicContact CG2-CB 4.44Å; V190-V234 HydrophobicContact CG2-CG1 3.98Å; V190-V234 HydrophobicContact CG2-CG2 4.28Å; V190-M237 HydrophobicContact CB-CE 4.37Å; V190-M237 HydrophobicContact CG1-CE 3.39Å; V190-M237 HydrophobicContact CG1-SD 4.38Å; V190-M237 HydrophobicContact CG2-CE 4.11Å; V190-T248 HydrophobicContact CG2-CG2 3.78Å
191	K	95.6	Very high	87.8	Confident	13 Å²	13	27.8 Å²	27.8	6%	0.057	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.9	-178.2	-69.1	178.9	-172.4	-76.1	0	110.8	C164 L182 S183 W193 P223 Y225 T226	C164-K191 HydrophobicContact CB-CD 3.96Å; C164-K191 VanDerWaalsContact O-CE 3.25Å; C164-K191 WeakPolarHBondContact O-CE 3.19Å; L182-K191 CarbonylContact C-O 3.57Å; L182-K191 VanDerWaalsContact CA-O 3.29Å; L182-K191 WeakPolarHBondContact CA-O 3.34Å; S183-K191 PolarHBondContact N-O 3.03Å; S183-K191 PolarHBondContact O-N 3.34Å; K191-W193 HydrophobicContact CB-CZ2 3.9Å; K191-W193 HydrophobicContact CD-CH2 4.39Å; K191-W193 HydrophobicContact CD-CZ2 3.97Å; K191-W193 PolarHBondContact O-NE1 3.22Å; K191-P223 HydrophobicContact CB-CB 4.03Å; K191-P223 HydrophobicContact CD-CB 4.28Å; K191-P223 HydrophobicContact CD-CG 4.23Å; K191-P223 HydrophobicContact CG-CB 4.24Å; K191-Y225 WeakPolarHBondContact CA-O 3.48Å; K191-T226 HydrophobicContact CG-CG2 4.08Å; K191-T226 PolarHBondContact NZ-OG1 2.93Å
192	L	95.1	Very high	85.5	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.8	174.5	-169.8	154.7	0	0	0	109.8	I180 L182 P223 V224 Y225 F227 M260 P261	I180-L192 HydrophobicContact CD1-CD2 4.33Å; I180-L192 HydrophobicContact CG2-CD1 4.19Å; I180-L192 HydrophobicContact CG2-CD2 3.74Å; I180-L192 HydrophobicContact CG2-CG 3.66Å; L182-L192 HydrophobicContact CD2-CB 3.68Å; L182-L192 HydrophobicContact CD2-CD1 4.04Å; L182-L192 HydrophobicContact CD2-CG 3.86Å; L192-P223 CarbonylContact O-C 3.46Å; L192-P223 WeakPolarHBondContact O-CA 3.48Å; L192-V224 HydrophobicContact CD2-CB 3.8Å; L192-V224 HydrophobicContact CD2-CG1 4.28Å; L192-V224 HydrophobicContact CD2-CG2 4.25Å; L192-V224 PolarHBondContact O-N 3.06Å; L192-Y225 PolarHBondContact N-O 3.18Å; L192-F227 HydrophobicContact CB-CE2 4.06Å; L192-F227 HydrophobicContact CD1-CZ 4.36Å; L192-M260 HydrophobicContact CD1-SD 3.5Å; L192-M260 VanDerWaalsContact CD1-SD 3.5Å; L192-P261 HydrophobicContact CD1-CG 3.93Å
193	W	93.3	Very high	82.9	Confident	1 Å²	1	35.6 Å²	35.6	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.6	-177.6	-43.8	84.2	0	0	0	110.1	L162 C164 I180 V181 S183 K191 F221 P223	L162-W193 HydrophobicContact CB-CD2 4.21Å; L162-W193 HydrophobicContact CB-CE3 4.06Å; L162-W193 HydrophobicContact CB-CH2 3.71Å; L162-W193 HydrophobicContact CB-CZ2 3.93Å; L162-W193 HydrophobicContact CB-CZ3 3.81Å; L162-W193 HydrophobicContact CD1-CB 4.23Å; L162-W193 HydrophobicContact CD1-CD2 3.78Å; L162-W193 HydrophobicContact CD1-CE3 4.25Å; L162-W193 HydrophobicContact CD1-CG 3.78Å; L162-W193 HydrophobicContact CD2-CD2 4.26Å; L162-W193 HydrophobicContact CD2-CE3 3.89Å; L162-W193 HydrophobicContact CD2-CZ3 4.27Å; L162-W193 HydrophobicContact CG-CD2 4.29Å; L162-W193 HydrophobicContact CG-CE3 4.28Å; L162-W193 HydrophobicContact CG-CZ3 4.5Å; C164-W193 HydrophobicContact CB-CH2 3.34Å; C164-W193 HydrophobicContact CB-CZ2 4.21Å; C164-W193 HydrophobicContact CB-CZ3 4.01Å; I180-W193 VanDerWaalsContact CA-O 3.26Å; I180-W193 WeakPolarHBondContact CA-O 3.17Å; V181-W193 HydrophobicContact CG1-CB 3.66Å; V181-W193 HydrophobicContact CG1-CG 4.04Å; V181-W193 PolarHBondContact N-O 3.09Å; V181-W193 VanDerWaalsContact O-CD1 3.24Å; V181-W193 PolarHBondContact O-N 3.39Å; S183-W193 PolarHBondContact OG-NE1 3.3Å; K191-W193 HydrophobicContact CB-CZ2 3.9Å; K191-W193 HydrophobicContact CD-CH2 4.39Å; K191-W193 HydrophobicContact CD-CZ2 3.97Å; K191-W193 PolarHBondContact O-NE1 3.22Å; W193-F221 HydrophobicContact CE3-CB 4.28Å; W193-F221 HydrophobicContact CZ3-CB 4.44Å; W193-F221 WeakPolarHBondContact CZ3-O 3.16Å; W193-P223 HydrophobicContact CD2-CB 4.4Å; W193-P223 HydrophobicContact CE3-CB 4.17Å; W193-P223 HydrophobicContact CZ3-CB 4.24Å
194	N	90.3	Very high	79.8	Confident	23 Å²	23	39.2 Å²	39.2	12%	0.123	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.4	175.3	-176.9	-17.9	0	0	0	110.2	Q196 V224 P263	N194-Q196 PolarHBondContact ND2-OE1 3.5Å; N194-Q196 WeakPolarHBondContact OD1-CB 3.49Å; N194-Q196 VanDerWaalsContact OD1-CG 3.29Å; N194-Q196 WeakPolarHBondContact OD1-CG 3.47Å; N194-Q196 PolarHBondContact OD1-N 3.49Å; N194-V224 HydrophobicContact CB-CG2 3.52Å; N194-P263 PolarHBondContact ND2-O 3.2Å
195	L	88.4	Confident	76.6	Confident	2 Å²	2	42 Å²	42	1%	0.01	26%	0.257	C	S	.	.			trans	-91	-9	-177.8	-53.8	178.1	0	0	0	112.9	F174 A179 V181 K197 S198 L199 F221 I512	F174-L195 HydrophobicContact CE1-CD1 4.01Å; A179-L195 HydrophobicContact CB-CB 4.4Å; A179-L195 WeakPolarHBondContact O-CA 3.43Å; A179-L195 WeakPolarHBondContact O-CB 3.36Å; A179-L195 PolarHBondContact O-N 2.77Å; V181-L195 HydrophobicContact CB-CD1 4.34Å; V181-L195 HydrophobicContact CG1-CD1 4Å; V181-L195 HydrophobicContact CG1-CD2 4.19Å; V181-L195 HydrophobicContact CG1-CG 4.19Å; L195-K197 PolarHBondContact O-N 2.98Å; L195-S198 PolarHBondContact O-N 2.78Å; L195-S198 VanDerWaalsContact O-N 3.12Å; L195-L199 HydrophobicContact CB-CD1 4.3Å; L195-L199 HydrophobicContact CB-CG 4.47Å; L195-L199 WeakPolarHBondContact O-CG 3.49Å; L195-L199 PolarHBondContact O-N 3.44Å; L195-L199 VanDerWaalsContact O-N 3.09Å; L195-F221 HydrophobicContact CD2-CE1 4.45Å; L195-I512 HydrophobicContact CD1-CG1 4.48Å; L195-I512 HydrophobicContact CD1-CG2 4.48Å
196	Q	82	Confident	73.7	Confident	78 Å²	78	46 Å²	46	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-55.2	-47.6	-172.6	-70.5	174.7	-25.7	0	0	113.2	A179 N194 S198 L199 T200	A179-Q196 HydrophobicContact CB-CG 3.83Å; N194-Q196 PolarHBondContact ND2-OE1 3.5Å; N194-Q196 WeakPolarHBondContact OD1-CB 3.49Å; N194-Q196 VanDerWaalsContact OD1-CG 3.29Å; N194-Q196 WeakPolarHBondContact OD1-CG 3.47Å; N194-Q196 PolarHBondContact OD1-N 3.49Å; Q196-S198 PolarHBondContact O-N 3.47Å; Q196-S198 VanDerWaalsContact O-N 3.15Å; Q196-L199 PolarHBondContact O-N 3.27Å; Q196-T200 WeakPolarHBondContact O-CG2 3.47Å; Q196-T200 PolarHBondContact O-N 2.92Å; Q196-T200 VanDerWaalsContact O-N 3.09Å; Q196-T200 PolarHBondContact O-OG1 2.85Å
197	K	70.6	Confident	70.4	Confident	167 Å²	167	50.2 Å²	50.2	73%	0.726	32%	0.319	S	S	*	.	H	α-helix	trans	-58.8	-30.1	-177.2	-69.4	-179.5	-176.7	170.6	0	112.7	L195 T200 A201	L195-K197 PolarHBondContact O-N 2.98Å; K197-T200 PolarHBondContact O-OG1 3.41Å; K197-A201 PolarHBondContact O-N 2.67Å
198	S	67.8	Low	67.1	Low	6 Å²	6	51.2 Å²	51.2	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-91.8	-30.4	-177.6	-157.2	0	0	0	0	112.7	F160 L195 Q196 T200 Q219 F221	F160-S198 WeakPolarHBondContact CE1-OG 3.23Å; F160-S198 WeakPolarHBondContact CZ-OG 3.28Å; L195-S198 PolarHBondContact O-N 2.78Å; L195-S198 VanDerWaalsContact O-N 3.12Å; Q196-S198 PolarHBondContact O-N 3.47Å; Q196-S198 VanDerWaalsContact O-N 3.15Å; S198-T200 VanDerWaalsContact C-N 3.31Å; S198-T200 PolarHBondContact O-N 3.06Å; S198-Q219 PolarHBondContact OG-OE1 2.76Å; S198-Q219 VanDerWaalsContact OG-OE1 3.06Å; S198-F221 VanDerWaalsContact CB-CZ 3.47Å
199	L	70	Confident	63.7	Low	30 Å²	30	57.6 Å²	57.6	16%	0.157	37%	0.374	C	S	.	.	H	α-helix	trans	-65.1	-35.1	171.4	-64	176.9	0	0	0	111.9	A179 L195 Q196 I500 M514	A179-L199 HydrophobicContact CB-CD1 3.55Å; L195-L199 HydrophobicContact CB-CD1 4.3Å; L195-L199 HydrophobicContact CB-CG 4.47Å; L195-L199 WeakPolarHBondContact O-CG 3.49Å; L195-L199 PolarHBondContact O-N 3.44Å; L195-L199 VanDerWaalsContact O-N 3.09Å; Q196-L199 PolarHBondContact O-N 3.27Å; L199-I500 HydrophobicContact CD1-CD1 3.99Å; L199-I500 HydrophobicContact CD2-CD1 3.88Å; L199-M514 HydrophobicContact CD2-CE 3.89Å; L199-M514 HydrophobicContact CD2-SD 3.32Å; L199-M514 WeakPolarHBondContact CD2-SD 3.36Å
200	T	61.3	Low	60.4	Low	87 Å²	87	59.9 Å²	59.9	53%	0.534	40%	0.4	S	S	.	.	H	α-helix	trans	-80.9	-29	179.5	56	0	0	0	0	114.1	Q196 K197 S198 N202 S203	Q196-T200 WeakPolarHBondContact O-CG2 3.47Å; Q196-T200 PolarHBondContact O-N 2.92Å; Q196-T200 VanDerWaalsContact O-N 3.09Å; Q196-T200 PolarHBondContact O-OG1 2.85Å; K197-T200 PolarHBondContact O-OG1 3.41Å; S198-T200 VanDerWaalsContact C-N 3.31Å; S198-T200 PolarHBondContact O-N 3.06Å; T200-N202 PolarHBondContact O-N 3.4Å; T200-S203 PolarHBondContact O-N 2.91Å; T200-S203 VanDerWaalsContact O-N 3.09Å; T200-S203 PolarHBondContact O-OG 2.91Å; T200-S203 VanDerWaalsContact O-OG 3.07Å
201	A	53.9	Low	57	Low	55 Å²	55	65.3 Å²	65.3	46%	0.455	45%	0.445	S	S	.	.	H	α-helix	trans	-58.1	-24.9	178.8	0	0	0	0	0	113.1	K197	K197-A201 PolarHBondContact O-N 2.67Å
202	N	47.7	Very low	53.6	Low	100 Å²	100	67.7 Å²	67.7	54%	0.535	47%	0.474	S	S	.	.	H	α-helix	trans	-77	-25	178.5	-74.4	-25	0	0	0	114.4	T200	T200-N202 PolarHBondContact O-N 3.4Å
203	S	41.2	Very low	50.3	Low	63 Å²	63	75.4 Å²	75.4	44%	0.441	52%	0.515	S	S	.	.	H	α-helix	trans	-78	-31.7	179.3	65.1	0	0	0	0	112.4	S119 T200	S119-S203 WeakPolarHBondContact OG-CB 3.38Å; T200-S203 PolarHBondContact O-N 2.91Å; T200-S203 VanDerWaalsContact O-N 3.09Å; T200-S203 PolarHBondContact O-OG 2.91Å; T200-S203 VanDerWaalsContact O-OG 3.07Å
204	A	33.3	Very low	47.4	Very low	76 Å²	76	80.4 Å²	80.4	63%	0.628	55%	0.55	S	S	*	.	H	α-helix	trans	-78.2	-22.4	-179	0	0	0	0	0	113.9
205	G	31.2	Very low	44.6	Very low	60 Å²	60	90.1 Å²	90.1	62%	0.619	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-11.2	-176	0	0	0	0	0	115.6
206	A	37.1	Very low	42.1	Very low	84 Å²	84	99.8 Å²	99.8	69%	0.694	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-13	-172.3	0	0	0	0	0	114.7
207	T	29.3	Very low	40	Very low	130 Å²	130	98.9 Å²	98.9	80%	0.798	64%	0.638	S	S	*	*	S	Bend	trans	-125.2	3.1	-177.8	57.6	0	0	0	0	114.7	V209	T207-V209 PolarHBondContact O-N 3.05Å
208	G	28.5	Very low	39	Very low	57 Å²	57	95 Å²	95	59%	0.588	63%	0.632	S	S	*	*			trans	-91.9	98.2	179.2	0	0	0	0	0	112.6	G210	G208-G210 PolarHBondContact O-N 3.39Å
209	V	26.9	Very low	38.4	Very low	158 Å²	158	99.5 Å²	99.5	96%	0.958	65%	0.653	S	S	*	*			trans	-64.1	86.6	167.8	-168.1	0	0	0	0	108.6	T207	T207-V209 PolarHBondContact O-N 3.05Å
210	G	26.8	Very low	38.2	Very low	64 Å²	64	103.7 Å²	103.7	66%	0.66	68%	0.675	S	S	*	*			trans	-164.1	69	-175.8	0	0	0	0	0	109.8	G208 G212	G208-G210 PolarHBondContact O-N 3.39Å; G210-G212 PolarHBondContact O-N 3.4Å
211	A	25.8	Very low	38.9	Very low	116 Å²	116	100.8 Å²	100.8	96%	0.959	66%	0.655	S	S	*	*			trans	-67.2	69.7	177.4	0	0	0	0	0	111.4
212	G	25.2	Very low	40.4	Very low	63 Å²	63	104.7 Å²	104.7	65%	0.649	67%	0.668	S	S	*	*			trans	-83.4	119	161	0	0	0	0	0	107.8	G210 S214	G210-G212 PolarHBondContact O-N 3.4Å; G212-S214 PolarHBondContact O-N 3.29Å
213	N	26.7	Very low	42.5	Very low	164 Å²	164	100.9 Å²	100.9	88%	0.877	65%	0.649	S	S	*	*			trans	-68.6	54.9	-174.5	-144.4	25.4	0	0	0	112.3	R215	N213-R215 VanDerWaalsContact C-N 3.26Å; N213-R215 PolarHBondContact O-N 2.78Å
214	S	30.8	Very low	44.8	Very low	105 Å²	105	99.1 Å²	99.1	73%	0.734	64%	0.636	S	S	*	*			trans	-67.5	93.6	168.1	-175.6	0	0	0	0	106.2	G212 K216	G212-S214 PolarHBondContact O-N 3.29Å; S214-K216 PolarHBondContact O-N 3.07Å
215	R	31.1	Very low	47.6	Very low	227 Å²	227	97.1 Å²	97.1	86%	0.857	61%	0.612	S	S	*	*			trans	-41.7	114.3	158.5	-74.7	175.6	177.3	155.3	-1	105.2	N213 G217	N213-R215 VanDerWaalsContact C-N 3.26Å; N213-R215 PolarHBondContact O-N 2.78Å; R215-G217 PolarHBondContact O-N 3.09Å
216	K	37.9	Very low	50.5	Low	206 Å²	206	95.6 Å²	95.6	90%	0.896	59%	0.591	S	S	*	*			trans	-56.1	76.4	172.5	-77.6	177	171.9	177.3	0	107.8	S214 S218	S214-K216 PolarHBondContact O-N 3.07Å; K216-S218 PolarHBondContact O-N 2.83Å
217	G	36.9	Very low	53.3	Low	58 Å²	58	91.8 Å²	91.8	60%	0.598	56%	0.558	S	S	*	*			trans	-56.8	133.9	168	0	0	0	0	0	105.4	R215 Q219	R215-G217 PolarHBondContact O-N 3.09Å; G217-Q219 PolarHBondContact O-N 3.42Å
218	S	48.9	Very low	56.3	Low	85 Å²	85	91.7 Å²	91.7	59%	0.594	55%	0.549	S	S	*	.			trans	-44.8	111.4	166.5	45.7	0	0	0	0	106.8	K216 D220	K216-S218 PolarHBondContact O-N 2.83Å; S218-D220 PolarHBondContact O-N 3.35Å
219	Q	56.8	Low	59.3	Low	102 Å²	102	90.5 Å²	90.5	48%	0.477	54%	0.536	S	S	.	.			trans	-65.1	107.4	174.8	-173.6	171.3	4.7	0	0	104.8	S198 G217 F221	S198-Q219 PolarHBondContact OG-OE1 2.76Å; S198-Q219 VanDerWaalsContact OG-OE1 3.06Å; G217-Q219 PolarHBondContact O-N 3.42Å; Q219-F221 HydrophobicContact CB-CE2 4.19Å; Q219-F221 HydrophobicContact CG-CE2 4.26Å; Q219-F221 WeakPolarHBondContact O-CD2 3.45Å; Q219-F221 WeakPolarHBondContact O-CE2 3.44Å; Q219-F221 PolarHBondContact O-N 2.93Å
220	D	64	Low	62.6	Low	118 Å²	118	83.7 Å²	83.7	63%	0.631	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-69.2	129.1	175.2	-69.4	-32.5	0	0	0	107.3	S218	S218-D220 PolarHBondContact O-N 3.35Å
221	F	77.4	Confident	65.9	Low	26 Å²	26	85.7 Å²	85.7	11%	0.114	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-103.3	120	176.4	-74.8	-98.1	0	0	0	107.5	F160 L162 W193 L195 S198 Q219	F160-F221 HydrophobicContact CB-CE2 4.03Å; F160-F221 AromaticContact CD1-CE2 3.45Å; F160-F221 HydrophobicContact CD1-CE2 3.45Å; F160-F221 VanDerWaalsContact CD1-CE2 3.45Å; F160-F221 AromaticContact CD1-CZ 3.7Å; F160-F221 HydrophobicContact CD1-CZ 3.7Å; F160-F221 HydrophobicContact CD2-CZ 4.48Å; F160-F221 HydrophobicContact CE1-CE2 4.09Å; F160-F221 AromaticContact CE1-CZ 3.95Å; F160-F221 HydrophobicContact CE1-CZ 3.95Å; F160-F221 AromaticContact CG-CE2 3.81Å; F160-F221 HydrophobicContact CG-CE2 3.81Å; F160-F221 AromaticContact CG-CZ 4Å; F160-F221 HydrophobicContact CG-CZ 4Å; F160-F221 HydrophobicContact CZ-CZ 4.44Å; L162-F221 HydrophobicContact CD2-CB 3.7Å; L162-F221 HydrophobicContact CD2-CD2 4.12Å; L162-F221 HydrophobicContact CD2-CG 3.88Å; W193-F221 HydrophobicContact CE3-CB 4.28Å; W193-F221 HydrophobicContact CZ3-CB 4.44Å; W193-F221 WeakPolarHBondContact CZ3-O 3.16Å; L195-F221 HydrophobicContact CD2-CE1 4.45Å; S198-F221 VanDerWaalsContact CB-CZ 3.47Å; Q219-F221 HydrophobicContact CB-CE2 4.19Å; Q219-F221 HydrophobicContact CG-CE2 4.26Å; Q219-F221 WeakPolarHBondContact O-CD2 3.45Å; Q219-F221 WeakPolarHBondContact O-CE2 3.44Å; Q219-F221 PolarHBondContact O-N 2.93Å
222	D	85.5	Confident	69.2	Low	137 Å²	137	80.9 Å²	80.9	73%	0.733	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-84.3	142.8	163.3	-66	-45.1	0	0	0	109
223	P	90.8	Very high	72.7	Confident	20 Å²	20	79.4 Å²	79.4	13%	0.13	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-62.5	139.8	171.3	29.8	-35.6	0	0	0	109.4	C164 K191 L192 W193 Y225	C164-P223 HydrophobicContact CB-CG 4.29Å; K191-P223 HydrophobicContact CB-CB 4.03Å; K191-P223 HydrophobicContact CD-CB 4.28Å; K191-P223 HydrophobicContact CD-CG 4.23Å; K191-P223 HydrophobicContact CG-CB 4.24Å; L192-P223 CarbonylContact O-C 3.46Å; L192-P223 WeakPolarHBondContact O-CA 3.48Å; W193-P223 HydrophobicContact CD2-CB 4.4Å; W193-P223 HydrophobicContact CE3-CB 4.17Å; W193-P223 HydrophobicContact CZ3-CB 4.24Å; P223-Y225 VanDerWaalsContact C-N 3.33Å
224	V	89.8	Confident	76.1	Confident	26 Å²	26	71.6 Å²	71.6	16%	0.158	40%	0.397	C	S	.	.	S	Bend	trans	-71.3	-35.9	175	178.4	0	0	0	0	110.4	L192 N194	L192-V224 HydrophobicContact CD2-CB 3.8Å; L192-V224 HydrophobicContact CD2-CG1 4.28Å; L192-V224 HydrophobicContact CD2-CG2 4.25Å; L192-V224 PolarHBondContact O-N 3.06Å; N194-V224 HydrophobicContact CB-CG2 3.52Å
225	Y	91.7	Very high	79.4	Confident	34 Å²	34	67.4 Å²	67.4	13%	0.133	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	145.5	179	-166.3	-96.6	0	0	0	110.5	K191 L192 P223 F227 P261 V265 I275	K191-Y225 WeakPolarHBondContact CA-O 3.48Å; L192-Y225 PolarHBondContact N-O 3.18Å; P223-Y225 VanDerWaalsContact C-N 3.33Å; Y225-F227 AromaticContact CD1-CD1 3.8Å; Y225-F227 HydrophobicContact CD1-CD1 3.8Å; Y225-F227 AromaticContact CD1-CD2 3.94Å; Y225-F227 HydrophobicContact CD1-CD2 3.94Å; Y225-F227 AromaticContact CD1-CE1 3.78Å; Y225-F227 HydrophobicContact CD1-CE1 3.78Å; Y225-F227 AromaticContact CD1-CE2 3.93Å; Y225-F227 HydrophobicContact CD1-CE2 3.93Å; Y225-F227 AromaticContact CD1-CG 3.88Å; Y225-F227 HydrophobicContact CD1-CG 3.88Å; Y225-F227 AromaticContact CD1-CZ 3.85Å; Y225-F227 HydrophobicContact CD1-CZ 3.85Å; Y225-F227 HydrophobicContact CE1-CB 4.4Å; Y225-F227 AromaticContact CE1-CD1 3.58Å; Y225-F227 HydrophobicContact CE1-CD1 3.58Å; Y225-F227 HydrophobicContact CE1-CD2 4.41Å; Y225-F227 AromaticContact CE1-CE1 3.86Å; Y225-F227 HydrophobicContact CE1-CE1 3.86Å; Y225-F227 AromaticContact CE1-CG 3.88Å; Y225-F227 HydrophobicContact CE1-CG 3.88Å; Y225-F227 HydrophobicContact CE1-CZ 4.4Å; Y225-P261 HydrophobicContact CD1-CG 4.15Å; Y225-P261 HydrophobicContact CD2-CG 4.49Å; Y225-P261 HydrophobicContact CG-CG 3.98Å; Y225-V265 HydrophobicContact CD2-CG1 4.42Å; Y225-I275 HydrophobicContact CD2-CD1 4.46Å; Y225-I275 HydrophobicContact CE1-CD1 4.06Å; Y225-I275 HydrophobicContact CE1-CG2 4.02Å; Y225-I275 HydrophobicContact CE2-CD1 3.6Å; Y225-I275 VanDerWaalsContact OH-CD1 3.24Å; Y225-I275 WeakPolarHBondContact OH-CD1 3.38Å
226	T	93.3	Very high	82.6	Confident	28 Å²	28	57.1 Å²	57.1	17%	0.172	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	113.7	171.9	-59	0	0	0	0	108.9	T189 V190 K191 H228	T189-T226 HydrophobicContact CG2-CG2 4.11Å; V190-T226 CarbonylContact O-C 3.6Å; V190-T226 WeakPolarHBondContact O-CA 3.49Å; K191-T226 HydrophobicContact CG-CG2 4.08Å; K191-T226 PolarHBondContact NZ-OG1 2.93Å; T226-H228 WeakPolarHBondContact CG2-CE1 3.37Å; T226-H228 PolarHBondContact O-ND1 2.73Å
227	F	94.3	Very high	85.4	Confident	3 Å²	3	48 Å²	48	1%	0.013	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	123.9	176.2	-53.4	-95.7	0	0	0	109.4	L182 V190 L192 Y225 W258 P261 I275	L182-F227 HydrophobicContact CD2-CE2 3.7Å; L182-F227 HydrophobicContact CD2-CZ 4.32Å; V190-F227 HydrophobicContact CB-CB 4.11Å; V190-F227 HydrophobicContact CB-CD2 3.88Å; V190-F227 HydrophobicContact CB-CG 4.37Å; V190-F227 HydrophobicContact CG1-CD2 3.75Å; V190-F227 HydrophobicContact CG1-CE2 4.24Å; V190-F227 PolarHBondContact N-O 2.76Å; V190-F227 WeakPolarHBondContact O-CD2 3.33Å; V190-F227 PolarHBondContact O-N 2.87Å; L192-F227 HydrophobicContact CB-CE2 4.06Å; L192-F227 HydrophobicContact CD1-CZ 4.36Å; Y225-F227 AromaticContact CD1-CD1 3.8Å; Y225-F227 HydrophobicContact CD1-CD1 3.8Å; Y225-F227 AromaticContact CD1-CD2 3.94Å; Y225-F227 HydrophobicContact CD1-CD2 3.94Å; Y225-F227 AromaticContact CD1-CE1 3.78Å; Y225-F227 HydrophobicContact CD1-CE1 3.78Å; Y225-F227 AromaticContact CD1-CE2 3.93Å; Y225-F227 HydrophobicContact CD1-CE2 3.93Å; Y225-F227 AromaticContact CD1-CG 3.88Å; Y225-F227 HydrophobicContact CD1-CG 3.88Å; Y225-F227 AromaticContact CD1-CZ 3.85Å; Y225-F227 HydrophobicContact CD1-CZ 3.85Å; Y225-F227 HydrophobicContact CE1-CB 4.4Å; Y225-F227 AromaticContact CE1-CD1 3.58Å; Y225-F227 HydrophobicContact CE1-CD1 3.58Å; Y225-F227 HydrophobicContact CE1-CD2 4.41Å; Y225-F227 AromaticContact CE1-CE1 3.86Å; Y225-F227 HydrophobicContact CE1-CE1 3.86Å; Y225-F227 AromaticContact CE1-CG 3.88Å; Y225-F227 HydrophobicContact CE1-CG 3.88Å; Y225-F227 HydrophobicContact CE1-CZ 4.4Å; F227-W258 HydrophobicContact CB-CD2 4.44Å; F227-W258 HydrophobicContact CB-CE3 4.43Å; F227-W258 HydrophobicContact CD1-CB 4.03Å; F227-W258 HydrophobicContact CD1-CD2 4.11Å; F227-W258 HydrophobicContact CD1-CE3 4.07Å; F227-W258 HydrophobicContact CD1-CG 4.1Å; F227-W258 HydrophobicContact CE1-CB 4.01Å; F227-P261 HydrophobicContact CE1-CG 4.34Å; F227-P261 HydrophobicContact CZ-CG 4.05Å; F227-I275 HydrophobicContact CD1-CG2 3.7Å; F227-I275 HydrophobicContact CE1-CG2 3.64Å
228	H	92.6	Very high	88.3	Confident	128 Å²	128	45.9 Å²	45.9	59%	0.593	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.1	177.1	-65.6	82	0	0	0	109.5	T226	T226-H228 WeakPolarHBondContact CG2-CE1 3.37Å; T226-H228 PolarHBondContact O-ND1 2.73Å
229	G	91.5	Very high	90.6	Very high	32 Å²	32	42.9 Å²	42.9	33%	0.33	24%	0.243	S	C	.	.			trans	167.9	-32.6	166.2	0	0	0	0	0	114.4	R256	G229-R256 VanDerWaalsContact CA-NH1 3.28Å; G229-R256 PolarHBondContact O-NH1 3.4Å; G229-R256 VanDerWaalsContact O-NH1 3.08Å; G229-R256 PolarHBondContact O-NH2 3.47Å
230	H	96.4	Very high	92.4	Very high	15 Å²	15	38.3 Å²	38.3	7%	0.069	22%	0.222	C	C	.	.			trans	-57	142.3	175	-82.2	-72.4	0	0	0	110.8	G232 V234 T248 D252	H230-G232 VanDerWaalsContact C-N 3.35Å; H230-V234 HydrophobicContact CB-CG2 3.91Å; H230-T248 PolarHBondContact NE2-OG1 3.06Å; H230-D252 VanDerWaalsContact CA-OD2 3.28Å; H230-D252 WeakPolarHBondContact CA-OD2 3.34Å; H230-D252 IonicContact CE1-OD1 3.87Å; H230-D252 IonicContact CE1-OD2 2.65Å; H230-D252 IonicContact CG-OD2 3.32Å; H230-D252 VanDerWaalsContact ND1-CG 3.27Å; H230-D252 IonicContact ND1-OD1 3.89Å; H230-D252 PolarHBondContact ND1-OD1 3.22Å; H230-D252 VanDerWaalsContact ND1-OD1 3.07Å; H230-D252 IonicContact ND1-OD2 2.8Å; H230-D252 PolarHBondContact ND1-OD2 3.26Å
231	S	95.7	Very high	93.8	Very high	107 Å²	107	35.8 Å²	35.8	75%	0.748	21%	0.212	S	C	*	.	S	Bend	trans	-97.9	14.3	-179.3	-55.1	0	0	0	0	112.8	D252	S231-D252 PolarHBondContact N-OD2 3.3Å
232	G	96.9	Very high	94.5	Very high	14 Å²	14	38.7 Å²	38.7	14%	0.144	23%	0.232	C	C	.	.	S	Bend	trans	-172.3	-175.2	179.5	0	0	0	0	0	111	A188 H230 V234	A188-G232 WeakPolarHBondContact CA-O 3.46Å; A188-G232 WeakPolarHBondContact CB-O 3.21Å; H230-G232 VanDerWaalsContact C-N 3.35Å; G232-V234 PolarHBondContact O-N 2.93Å
233	P	98.3	Very high	94.8	Very high	33 Å²	33	32.1 Å²	32.1	21%	0.214	20%	0.197	C	C	.	.			trans	-48.7	133.8	-179.2	-33	37.2	0	0	0	113.9	E186 L235 G250 M251	E186-P233 HydrophobicContact CB-CB 4.11Å; E186-P233 HydrophobicContact CB-CG 4.32Å; E186-P233 HydrophobicContact CG-CB 4.14Å; P233-L235 HydrophobicContact CB-CD2 4Å; P233-G250 CarbonylContact O-C 3.53Å; P233-G250 WeakPolarHBondContact O-CA 3.5Å; P233-M251 HydrophobicContact CB-CB 4.26Å; P233-M251 HydrophobicContact CG-CB 4.4Å; P233-M251 HydrophobicContact CG-SD 4.16Å; P233-M251 PolarHBondContact O-N 2.93Å
234	V	98.6	Very high	94.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	113.3	171.9	-169.5	0	0	0	0	107.9	R170 A184 S185 V190 H230 G232 T248	R170-V234 WeakPolarHBondContact CB-O 3.46Å; A184-V234 HydrophobicContact CB-CB 3.92Å; A184-V234 HydrophobicContact CB-CG1 3.58Å; S185-V234 PolarHBondContact O-N 3.05Å; V190-V234 HydrophobicContact CG2-CB 4.44Å; V190-V234 HydrophobicContact CG2-CG1 3.98Å; V190-V234 HydrophobicContact CG2-CG2 4.28Å; H230-V234 HydrophobicContact CB-CG2 3.91Å; G232-V234 PolarHBondContact O-N 2.93Å; V234-T248 HydrophobicContact CG1-CG2 4.34Å
235	L	98.5	Very high	95.2	Very high	17 Å²	17	37.5 Å²	37.5	9%	0.089	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-30.2	-166.8	-59.9	175.4	0	0	0	112.4	R170 P233 G249 M251 A286 W288	R170-L235 HydrophobicContact CG-CD2 4.27Å; P233-L235 HydrophobicContact CB-CD2 4Å; L235-G249 PolarHBondContact N-O 3.26Å; L235-M251 HydrophobicContact CD1-CB 4.3Å; L235-A286 HydrophobicContact CD1-CB 3.98Å; L235-W288 HydrophobicContact CD1-CE3 3.9Å; L235-W288 HydrophobicContact CD1-CH2 4.34Å; L235-W288 HydrophobicContact CD1-CZ3 3.79Å; L235-W288 HydrophobicContact CD2-CZ3 4.38Å
236	C	98.3	Very high	95.4	Very high	10 Å²	10	35.9 Å²	35.9	7%	0.068	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	158.2	-177.9	57	0	0	0	0	112.3	T248 G249 V287 W288	C236-T248 WeakPolarHBondContact O-CA 3.26Å; C236-G249 PolarHBondContact N-O 3.32Å; C236-G249 VanDerWaalsContact N-O 3.14Å; C236-G249 PolarHBondContact O-N 3.15Å; C236-G249 VanDerWaalsContact SG-CA 3.59Å; C236-V287 PolarHBondContact SG-O 2.96Å; C236-V287 VanDerWaalsContact SG-O 3.35Å; C236-W288 WeakPolarHBondContact CB-O 3.47Å
237	M	98.1	Very high	95.7	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.069	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	143.8	-179.1	-173.4	-168.8	-51.4	0	0	110.3	A171 V173 L182 A184 V190 C246 Y247 T248	A171-M237 HydrophobicContact CB-CB 3.95Å; V173-M237 HydrophobicContact CB-SD 4.38Å; V173-M237 HydrophobicContact CG2-CB 4.36Å; V173-M237 HydrophobicContact CG2-CG 4.37Å; V173-M237 HydrophobicContact CG2-SD 4.28Å; L182-M237 HydrophobicContact CB-CE 4.1Å; L182-M237 HydrophobicContact CB-SD 3.5Å; L182-M237 WeakPolarHBondContact CB-SD 3.45Å; L182-M237 HydrophobicContact CD1-SD 4.3Å; L182-M237 HydrophobicContact CG-SD 4.46Å; A184-M237 HydrophobicContact CB-CE 3.37Å; V190-M237 HydrophobicContact CB-CE 4.37Å; V190-M237 HydrophobicContact CG1-CE 3.39Å; V190-M237 HydrophobicContact CG1-SD 4.38Å; V190-M237 HydrophobicContact CG2-CE 4.11Å; M237-C246 VanDerWaalsContact CG-SG 3.58Å; M237-Y247 CarbonylContact C-O 3.58Å; M237-Y247 VanDerWaalsContact CA-O 3.26Å; M237-Y247 WeakPolarHBondContact CA-O 3.35Å; M237-T248 HydrophobicContact CB-CG2 4.43Å; M237-T248 HydrophobicContact CE-CG2 4.5Å; M237-T248 HydrophobicContact CG-CG2 3.99Å
238	C	97.4	Very high	95.9	Very high	14 Å²	14	34.6 Å²	34.6	10%	0.095	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	163.5	165.6	68.9	0	0	0	0	110.6	Y247 L290 L299	C238-Y247 PolarHBondContact N-O 3.05Å; C238-Y247 PolarHBondContact O-N 3.38Å; C238-L290 HydrophobicContact CB-CB 4.41Å; C238-L299 WeakPolarHBondContact SG-CD1 3.3Å
239	L	96.9	Very high	96.1	Very high	22 Å²	22	28.5 Å²	28.5	12%	0.115	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	152.5	176.4	-70.4	-177.6	0	0	0	111	V173 F174 L182 C246 M260	V173-L239 HydrophobicContact CG1-CD1 3.89Å; V173-L239 HydrophobicContact CG1-CG 3.88Å; F174-L239 WeakPolarHBondContact O-CD1 3.31Å; L182-L239 HydrophobicContact CD1-CD1 4.1Å; L182-L239 HydrophobicContact CD1-CD2 3.6Å; L182-L239 HydrophobicContact CD1-CG 4.26Å; L239-C246 HydrophobicContact CD2-CB 3.48Å; L239-C246 VanDerWaalsContact CD2-CB 3.48Å; L239-M260 HydrophobicContact CD2-CE 3.65Å
240	S	95.1	Very high	96.4	Very high	7 Å²	7	27 Å²	27	5%	0.049	16%	0.161	C	C	.	.			trans	-63.4	150.3	160.6	56.2	0	0	0	0	110.9	T242 G243 D244 Y245	S240-T242 PolarHBondContact O-N 3.34Å; S240-G243 PolarHBondContact O-N 2.81Å; S240-G243 PolarHBondContact OG-N 2.94Å; S240-D244 PolarHBondContact OG-N 3.24Å; S240-Y245 PolarHBondContact N-O 3.08Å; S240-Y245 PolarHBondContact OG-N 2.7Å; S240-Y245 PolarHBondContact OG-O 3.42Å
241	P	92.7	Very high	96.5	Very high	64 Å²	64	31.7 Å²	31.7	42%	0.416	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.4	179.1	-26.1	34.3	0	0	0	113.7	P176 F292 S294	P176-P241 WeakPolarHBondContact CG-O 3.17Å; P241-F292 HydrophobicContact CG-CD1 4.11Å; P241-F292 HydrophobicContact CG-CE1 4.21Å; P241-S294 VanDerWaalsContact CG-O 3.3Å; P241-S294 WeakPolarHBondContact CG-O 3.11Å
242	T	92.2	Very high	96.6	Very high	87 Å²	87	28 Å²	28	53%	0.534	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-23.9	175	64.9	0	0	0	0	112.5	S240 D244	S240-T242 PolarHBondContact O-N 3.34Å; T242-D244 VanDerWaalsContact C-N 3.31Å; T242-D244 WeakPolarHBondContact CB-OD2 3.25Å; T242-D244 PolarHBondContact OG1-N 2.97Å; T242-D244 PolarHBondContact OG1-OD2 2.91Å
243	G	92.8	Very high	96.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	85.3	-1.1	-175.4	0	0	0	0	0	114.2	H175 S240 Y245 M260	H175-G243 PolarHBondContact NE2-O 2.78Å; S240-G243 PolarHBondContact O-N 2.81Å; S240-G243 PolarHBondContact OG-N 2.94Å; G243-Y245 VanDerWaalsContact C-N 3.29Å; G243-Y245 PolarHBondContact O-N 3.14Å; G243-M260 VanDerWaalsContact O-CB 3.28Å; G243-M260 WeakPolarHBondContact O-CB 3.34Å; G243-M260 WeakPolarHBondContact O-CE 3.22Å; G243-M260 WeakPolarHBondContact O-CG 3.31Å
244	D	93	Very high	96.6	Very high	90 Å²	90	30.7 Å²	30.7	48%	0.481	16%	0.161	S	C	.	.	S	Bend	trans	-74	-21.3	-177.3	-58.4	-47.8	0	0	0	113.1	S240 T242 M260	S240-D244 PolarHBondContact OG-N 3.24Å; T242-D244 VanDerWaalsContact C-N 3.31Å; T242-D244 WeakPolarHBondContact CB-OD2 3.25Å; T242-D244 PolarHBondContact OG1-N 2.97Å; T242-D244 PolarHBondContact OG1-OD2 2.91Å; D244-M260 WeakPolarHBondContact O-CB 3.35Å; D244-M260 PolarHBondContact O-N 3.42Å
245	Y	95.4	Very high	96.6	Very high	68 Å²	68	30.7 Å²	30.7	27%	0.267	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.8	178.3	-65.5	-87.1	0	0	0	112.1	S240 G243 W258 M259	S240-Y245 PolarHBondContact N-O 3.08Å; S240-Y245 PolarHBondContact OG-N 2.7Å; S240-Y245 PolarHBondContact OG-O 3.42Å; G243-Y245 VanDerWaalsContact C-N 3.29Å; G243-Y245 PolarHBondContact O-N 3.14Å; Y245-W258 CarbonylContact C-O 3.52Å; Y245-W258 VanDerWaalsContact CA-O 3.24Å; Y245-W258 WeakPolarHBondContact CA-O 3.47Å; Y245-M259 HydrophobicContact CE1-CB 4.26Å; Y245-M259 HydrophobicContact CE1-CE 4.41Å
246	C	96.3	Very high	96.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137	169.9	177.8	0	0	0	0	109.7	L182 M237 L239 W258 M260	L182-C246 HydrophobicContact CD1-CB 4.46Å; M237-C246 VanDerWaalsContact CG-SG 3.58Å; L239-C246 HydrophobicContact CD2-CB 3.48Å; L239-C246 VanDerWaalsContact CD2-CB 3.48Å; C246-W258 HydrophobicContact CB-CB 4.35Å; C246-W258 PolarHBondContact N-O 3.2Å; C246-W258 PolarHBondContact O-N 2.8Å; C246-M260 HydrophobicContact CB-CE 3.84Å
247	Y	98	Very high	96.4	Very high	5 Å²	5	31.1 Å²	31.1	2%	0.02	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.5	178.5	-56.4	-83.8	0	0	0	109.5	M237 C238 R256 C257 F292 L299 P313	M237-Y247 CarbonylContact C-O 3.58Å; M237-Y247 VanDerWaalsContact CA-O 3.26Å; M237-Y247 WeakPolarHBondContact CA-O 3.35Å; C238-Y247 PolarHBondContact N-O 3.05Å; C238-Y247 PolarHBondContact O-N 3.38Å; Y247-R256 VanDerWaalsContact CA-O 3.29Å; Y247-R256 WeakPolarHBondContact CA-O 3.2Å; Y247-C257 HydrophobicContact CD1-CB 3.89Å; Y247-C257 VanDerWaalsContact CD1-SG 3.52Å; Y247-C257 HydrophobicContact CE1-CB 3.76Å; Y247-C257 VanDerWaalsContact CE1-SG 3.51Å; Y247-F292 AromaticContact CD2-CD2 3.76Å; Y247-F292 HydrophobicContact CD2-CD2 3.76Å; Y247-F292 HydrophobicContact CD2-CE2 4.24Å; Y247-F292 AromaticContact CE2-CD2 3.34Å; Y247-F292 HydrophobicContact CE2-CD2 3.34Å; Y247-F292 AromaticContact CE2-CE2 3.38Å; Y247-F292 HydrophobicContact CE2-CE2 3.38Å; Y247-F292 HydrophobicContact CE2-CG 4.3Å; Y247-F292 HydrophobicContact CE2-CZ 4.35Å; Y247-F292 AromaticContact CZ-CD2 3.99Å; Y247-F292 AromaticContact CZ-CE2 3.62Å; Y247-L299 HydrophobicContact CD1-CD2 3.95Å; Y247-L299 HydrophobicContact CD2-CD1 4.36Å; Y247-L299 HydrophobicContact CG-CD1 4.2Å; Y247-L299 HydrophobicContact CG-CD2 4.11Å; Y247-P313 HydrophobicContact CE1-CB 3.9Å; Y247-P313 HydrophobicContact CE1-CG 3.71Å
248	T	98.5	Very high	96.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.7	-175.8	60.1	0	0	0	0	110.5	V190 H230 V234 C236 M237 V255 R256 W258 L290	V190-T248 HydrophobicContact CG2-CG2 3.78Å; H230-T248 PolarHBondContact NE2-OG1 3.06Å; V234-T248 HydrophobicContact CG1-CG2 4.34Å; C236-T248 WeakPolarHBondContact O-CA 3.26Å; M237-T248 HydrophobicContact CB-CG2 4.43Å; M237-T248 HydrophobicContact CE-CG2 4.5Å; M237-T248 HydrophobicContact CG-CG2 3.99Å; T248-V255 CarbonylContact O-C 3.51Å; T248-V255 VanDerWaalsContact O-CA 3.3Å; T248-V255 WeakPolarHBondContact O-CA 3.19Å; T248-R256 PolarHBondContact N-O 2.84Å; T248-R256 PolarHBondContact O-N 2.86Å; T248-W258 PolarHBondContact OG1-NE1 3.33Å; T248-L290 VanDerWaalsContact C-CD1 3.44Å
249	G	98.3	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.9	177.9	0	0	0	0	0	109.4	L235 C236	L235-G249 PolarHBondContact N-O 3.26Å; C236-G249 PolarHBondContact N-O 3.32Å; C236-G249 VanDerWaalsContact N-O 3.14Å; C236-G249 PolarHBondContact O-N 3.15Å; C236-G249 VanDerWaalsContact SG-CA 3.59Å
250	G	97.6	Very high	96	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	176.9	-174.5	0	0	0	0	0	114.3	P233 D252 K253 T254 V287	P233-G250 CarbonylContact O-C 3.53Å; P233-G250 WeakPolarHBondContact O-CA 3.5Å; G250-D252 PolarHBondContact O-N 3.32Å; G250-K253 PolarHBondContact O-N 3.21Å; G250-T254 PolarHBondContact N-O 3.16Å; G250-V287 PolarHBondContact O-N 3.13Å; G250-V287 VanDerWaalsContact O-N 3.09Å
251	M	98.1	Very high	95.8	Very high	114 Å²	114	33.7 Å²	33.7	56%	0.562	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.8	174	-161.9	174.4	-171.2	0	0	112.5	P233 L235 K253 A286	P233-M251 HydrophobicContact CB-CB 4.26Å; P233-M251 HydrophobicContact CG-CB 4.4Å; P233-M251 HydrophobicContact CG-SD 4.16Å; P233-M251 PolarHBondContact O-N 2.93Å; L235-M251 HydrophobicContact CD1-CB 4.3Å; M251-K253 PolarHBondContact O-N 2.88Å; M251-A286 HydrophobicContact CG-CB 4.29Å
252	D	97.4	Very high	95.4	Very high	30 Å²	30	34.1 Å²	34.1	16%	0.16	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	8.3	173.9	73.3	-3.3	0	0	0	114	H230 S231 G250 T254 R256	H230-D252 VanDerWaalsContact CA-OD2 3.28Å; H230-D252 WeakPolarHBondContact CA-OD2 3.34Å; H230-D252 IonicContact CE1-OD1 3.87Å; H230-D252 IonicContact CE1-OD2 2.65Å; H230-D252 IonicContact CG-OD2 3.32Å; H230-D252 VanDerWaalsContact ND1-CG 3.27Å; H230-D252 IonicContact ND1-OD1 3.89Å; H230-D252 PolarHBondContact ND1-OD1 3.22Å; H230-D252 VanDerWaalsContact ND1-OD1 3.07Å; H230-D252 IonicContact ND1-OD2 2.8Å; H230-D252 PolarHBondContact ND1-OD2 3.26Å; S231-D252 PolarHBondContact N-OD2 3.3Å; G250-D252 PolarHBondContact O-N 3.32Å; D252-T254 PolarHBondContact O-N 2.86Å; D252-T254 PolarHBondContact OD1-N 3.03Å; D252-T254 PolarHBondContact OD1-OG1 2.82Å; D252-T254 PolarHBondContact OD2-OG1 2.58Å; D252-R256 IonicContact OD2-NE 3.87Å; D252-R256 IonicContact OD2-NH2 3.55Å
253	K	98	Very high	94.8	Very high	98 Å²	98	31.4 Å²	31.4	43%	0.426	16%	0.158	S	C	.	.	S	Bend	trans	68.7	11.8	174.3	-40	171.5	175.8	-149.8	0	113.8	G250 M251 D284 D285	G250-K253 PolarHBondContact O-N 3.21Å; M251-K253 PolarHBondContact O-N 2.88Å; K253-D284 VanDerWaalsContact CD-O 3.3Å; K253-D284 WeakPolarHBondContact CD-O 3.47Å; K253-D284 VanDerWaalsContact CE-O 3.31Å; K253-D284 WeakPolarHBondContact CE-O 3.01Å; K253-D284 PolarHBondContact NZ-O 3.34Å; K253-D285 WeakPolarHBondContact CA-O 3.4Å
254	T	97.6	Very high	94.2	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.025	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	148	-177.8	68.2	0	0	0	0	111.4	G250 D252 V279 R281	G250-T254 PolarHBondContact N-O 3.16Å; D252-T254 PolarHBondContact O-N 2.86Å; D252-T254 PolarHBondContact OD1-N 3.03Å; D252-T254 PolarHBondContact OD1-OG1 2.82Å; D252-T254 PolarHBondContact OD2-OG1 2.58Å; T254-V279 HydrophobicContact CG2-CG1 3.94Å; T254-R281 HydrophobicContact CG2-CG 4.47Å
255	V	98	Very high	93.7	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.8	161.9	-179	0	0	0	0	107.2	T248 L280 V287 L290 L299	T248-V255 CarbonylContact O-C 3.51Å; T248-V255 VanDerWaalsContact O-CA 3.3Å; T248-V255 WeakPolarHBondContact O-CA 3.19Å; V255-L280 HydrophobicContact CB-CB 4.12Å; V255-L280 HydrophobicContact CB-CD1 4.25Å; V255-L280 HydrophobicContact CG1-CD1 4.09Å; V255-L280 PolarHBondContact N-O 2.79Å; V255-L280 WeakPolarHBondContact O-CB 3.28Å; V255-L280 PolarHBondContact O-N 3.38Å; V255-V287 HydrophobicContact CG2-CG1 4.12Å; V255-V287 HydrophobicContact CG2-CG2 4.02Å; V255-L290 HydrophobicContact CG1-CD1 3.97Å; V255-L290 HydrophobicContact CG1-CD2 3.84Å; V255-L290 HydrophobicContact CG2-CD2 3.89Å; V255-L299 HydrophobicContact CG1-CD2 3.7Å
256	R	97.5	Very high	92.8	Very high	33 Å²	33	35.7 Å²	35.7	13%	0.125	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.4	-177.8	-65.8	-172.9	175.3	-130.6	2.7	110.7	G229 Y247 T248 D252 W258 V279	G229-R256 VanDerWaalsContact CA-NH1 3.28Å; G229-R256 PolarHBondContact O-NH1 3.4Å; G229-R256 VanDerWaalsContact O-NH1 3.08Å; G229-R256 PolarHBondContact O-NH2 3.47Å; Y247-R256 VanDerWaalsContact CA-O 3.29Å; Y247-R256 WeakPolarHBondContact CA-O 3.2Å; T248-R256 PolarHBondContact N-O 2.84Å; T248-R256 PolarHBondContact O-N 2.86Å; D252-R256 IonicContact OD2-NE 3.87Å; D252-R256 IonicContact OD2-NH2 3.55Å; R256-W258 HydrophobicContact CB-CZ2 3.67Å; R256-W258 HydrophobicContact CG-CZ2 4.18Å; R256-V279 HydrophobicContact CG-CG1 4.32Å; R256-V279 HydrophobicContact CG-CG2 4.32Å
257	C	96.6	Very high	91.8	Very high	3 Å²	3	40 Å²	40	2%	0.02	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.7	179	-48.4	0	0	0	0	108.5	Y247 S277 E278	Y247-C257 HydrophobicContact CD1-CB 3.89Å; Y247-C257 VanDerWaalsContact CD1-SG 3.52Å; Y247-C257 HydrophobicContact CE1-CB 3.76Å; Y247-C257 VanDerWaalsContact CE1-SG 3.51Å; C257-S277 WeakPolarHBondContact O-CB 3.4Å; C257-S277 PolarHBondContact O-N 3.02Å; C257-E278 HydrophobicContact CB-CB 3.98Å; C257-E278 PolarHBondContact N-O 2.87Å; C257-E278 PolarHBondContact O-N 3.14Å
258	W	96	Very high	90.8	Very high	8 Å²	8	49.7 Å²	49.7	3%	0.03	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.6	-179.1	-47.3	97.1	0	0	0	109.8	F227 Y245 C246 T248 R256 I275	F227-W258 HydrophobicContact CB-CD2 4.44Å; F227-W258 HydrophobicContact CB-CE3 4.43Å; F227-W258 HydrophobicContact CD1-CB 4.03Å; F227-W258 HydrophobicContact CD1-CD2 4.11Å; F227-W258 HydrophobicContact CD1-CE3 4.07Å; F227-W258 HydrophobicContact CD1-CG 4.1Å; F227-W258 HydrophobicContact CE1-CB 4.01Å; Y245-W258 CarbonylContact C-O 3.52Å; Y245-W258 VanDerWaalsContact CA-O 3.24Å; Y245-W258 WeakPolarHBondContact CA-O 3.47Å; C246-W258 HydrophobicContact CB-CB 4.35Å; C246-W258 PolarHBondContact N-O 3.2Å; C246-W258 PolarHBondContact O-N 2.8Å; T248-W258 PolarHBondContact OG1-NE1 3.33Å; R256-W258 HydrophobicContact CB-CZ2 3.67Å; R256-W258 HydrophobicContact CG-CZ2 4.18Å; W258-I275 CarbonylContact C-O 3.55Å; W258-I275 VanDerWaalsContact CA-O 3.25Å; W258-I275 WeakPolarHBondContact CA-O 3.35Å
259	M	94.5	Very high	89.9	Confident	72 Å²	72	54.2 Å²	54.2	36%	0.355	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	135.8	166.9	-172.8	178.9	-63	0	0	109.1	Y245 P261 I275	Y245-M259 HydrophobicContact CE1-CB 4.26Å; Y245-M259 HydrophobicContact CE1-CE 4.41Å; M259-P261 VanDerWaalsContact O-CD 3.31Å; M259-P261 WeakPolarHBondContact O-CD 3.44Å; M259-I275 PolarHBondContact N-O 3.15Å
260	M	92.8	Very high	88.8	Confident	24 Å²	24	59.6 Å²	59.6	12%	0.118	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-69.9	118.3	179.3	-163.8	59.1	58.9	0	0	109.7	L182 L192 L239 G243 D244 C246	L182-M260 HydrophobicContact CD1-CE 3.68Å; L182-M260 HydrophobicContact CD1-SD 4.3Å; L192-M260 HydrophobicContact CD1-SD 3.5Å; L192-M260 VanDerWaalsContact CD1-SD 3.5Å; L239-M260 HydrophobicContact CD2-CE 3.65Å; G243-M260 VanDerWaalsContact O-CB 3.28Å; G243-M260 WeakPolarHBondContact O-CB 3.34Å; G243-M260 WeakPolarHBondContact O-CE 3.22Å; G243-M260 WeakPolarHBondContact O-CG 3.31Å; D244-M260 WeakPolarHBondContact O-CB 3.35Å; D244-M260 PolarHBondContact O-N 3.42Å; C246-M260 HydrophobicContact CB-CE 3.84Å
261	P	90	Very high	87.8	Confident	7 Å²	7	65.7 Å²	65.7	5%	0.045	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-70.3	151.6	172.7	29.1	-31.9	0	0	0	109.7	L192 Y225 F227 M259 V265 I275	L192-P261 HydrophobicContact CD1-CG 3.93Å; Y225-P261 HydrophobicContact CD1-CG 4.15Å; Y225-P261 HydrophobicContact CD2-CG 4.49Å; Y225-P261 HydrophobicContact CG-CG 3.98Å; F227-P261 HydrophobicContact CE1-CG 4.34Å; F227-P261 HydrophobicContact CZ-CG 4.05Å; M259-P261 VanDerWaalsContact O-CD 3.31Å; M259-P261 WeakPolarHBondContact O-CD 3.44Å; P261-V265 HydrophobicContact CB-CG2 3.9Å; P261-I275 HydrophobicContact CB-CD1 4.18Å
262	P	85.3	Confident	86.8	Confident	73 Å²	73	64.1 Å²	64.1	47%	0.474	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-63	150.4	179.3	21.1	-27.9	0	0	0	112.2	N264 V265	P262-N264 PolarHBondContact O-N 2.77Å; P262-V265 VanDerWaalsContact CD-CG2 3.49Å; P262-V265 HydrophobicContact CG-CG2 3.59Å; P262-V265 WeakPolarHBondContact O-CG2 3.23Å; P262-V265 PolarHBondContact O-N 3.23Å; P262-V265 VanDerWaalsContact O-N 3.14Å
263	P	78.8	Confident	86	Confident	30 Å²	30	72.7 Å²	72.7	20%	0.195	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-15.9	-174.3	18.6	-32	0	0	0	115.4	E178 I180 N194	E178-P263 WeakPolarHBondContact OE2-CG 3.27Å; I180-P263 HydrophobicContact CD1-CB 4.07Å; N194-P263 PolarHBondContact ND2-O 3.2Å
264	N	80.3	Confident	85.2	Confident	135 Å²	135	70.9 Å²	70.9	72%	0.722	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	19.3	-174.2	66.3	-21.5	0	0	0	113.1	P262 D266	P262-N264 PolarHBondContact O-N 2.77Å; N264-D266 PolarHBondContact O-N 3.22Å
265	V	82.1	Confident	84.6	Confident	29 Å²	29	71.3 Å²	71.3	18%	0.176	37%	0.369	C	S	.	.			trans	-53.1	136	170.5	165.9	0	0	0	0	110.3	Y225 P261 P262 P267	Y225-V265 HydrophobicContact CD2-CG1 4.42Å; P261-V265 HydrophobicContact CB-CG2 3.9Å; P262-V265 VanDerWaalsContact CD-CG2 3.49Å; P262-V265 HydrophobicContact CG-CG2 3.59Å; P262-V265 WeakPolarHBondContact O-CG2 3.23Å; P262-V265 PolarHBondContact O-N 3.23Å; P262-V265 VanDerWaalsContact O-N 3.14Å; V265-P267 WeakPolarHBondContact O-CD 3.23Å
266	D	78	Confident	83.9	Confident	83 Å²	83	74.4 Å²	74.4	44%	0.444	39%	0.39	S	S	.	.			trans	-74.1	124.2	170.8	-169.3	-27.8	0	0	0	108.2	N264 Y268 D269	N264-D266 PolarHBondContact O-N 3.22Å; D266-Y268 PolarHBondContact O-N 3Å; D266-Y268 VanDerWaalsContact OD1-CD2 3.31Å; D266-Y268 WeakPolarHBondContact OD1-CD2 3.5Å; D266-Y268 PolarHBondContact OD1-N 3.33Å; D266-D269 HydrophobicContact CB-CB 4.49Å; D266-D269 PolarHBondContact N-OD2 3.44Å; D266-D269 WeakPolarHBondContact O-CB 3.4Å; D266-D269 PolarHBondContact O-N 2.9Å
267	P	74.3	Confident	83.3	Confident	91 Å²	91	75.6 Å²	75.6	59%	0.591	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-19.4	176.5	-26.2	35.2	0	0	0	114.4	V265	V265-P267 WeakPolarHBondContact O-CD 3.23Å
268	Y	77.5	Confident	83	Confident	208 Å²	208	77.9 Å²	77.9	82%	0.816	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	4.3	178.8	-55.7	-74.8	0	0	0	113.9	D266	D266-Y268 PolarHBondContact O-N 3Å; D266-Y268 VanDerWaalsContact OD1-CD2 3.31Å; D266-Y268 WeakPolarHBondContact OD1-CD2 3.5Å; D266-Y268 PolarHBondContact OD1-N 3.33Å
269	D	78.6	Confident	83	Confident	96 Å²	96	80.1 Å²	80.1	51%	0.513	43%	0.428	S	S	.	.	S	Bend	trans	-61.9	144.1	172.8	-82.6	-27.6	0	0	0	110.5	D266	D266-D269 HydrophobicContact CB-CB 4.49Å; D266-D269 PolarHBondContact N-OD2 3.44Å; D266-D269 WeakPolarHBondContact O-CB 3.4Å; D266-D269 PolarHBondContact O-N 2.9Å
270	P	76	Confident	83.1	Confident	112 Å²	112	76.9 Å²	76.9	73%	0.727	41%	0.412	S	S	*	.			trans	-58.5	145.9	176.9	25.4	-33.7	0	0	0	110.6	D272	P270-D272 PolarHBondContact O-N 3.2Å
271	L	75.9	Confident	83.2	Confident	129 Å²	129	84.1 Å²	84.1	68%	0.675	44%	0.439	S	S	*	.			trans	-54.5	110.3	-178.7	-177.6	71	0	0	0	111.1	R273	L271-R273 PolarHBondContact O-N 3.26Å
272	D	78.1	Confident	83.4	Confident	81 Å²	81	85.3 Å²	85.3	43%	0.433	45%	0.452	S	S	.	.			trans	-79.6	110.5	175.5	-171.9	-6	0	0	0	110.1	P270 S274 I275	P270-D272 PolarHBondContact O-N 3.2Å; D272-S274 PolarHBondContact O-N 2.96Å; D272-S274 VanDerWaalsContact OD1-CB 3.26Å; D272-S274 WeakPolarHBondContact OD1-CB 3.26Å; D272-S274 PolarHBondContact OD1-N 3.02Å; D272-S274 PolarHBondContact OD1-OG 3.45Å; D272-S274 PolarHBondContact OD2-OG 3.27Å; D272-I275 HydrophobicContact CB-CD1 3.84Å; D272-I275 HydrophobicContact CB-CG1 4.05Å; D272-I275 WeakPolarHBondContact O-CB 3.18Å; D272-I275 PolarHBondContact O-N 3.41Å
273	R	79.8	Confident	84	Confident	210 Å²	210	82.3 Å²	82.3	79%	0.792	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.3	177.8	-68.2	-173.7	178.1	-176.3	-1.1	113.1	L271 I275 S276	L271-R273 PolarHBondContact O-N 3.26Å; R273-I275 PolarHBondContact O-N 3.26Å; R273-S276 PolarHBondContact O-N 3.42Å; R273-S276 PolarHBondContact O-OG 2.98Å
274	S	81.6	Confident	84.9	Confident	60 Å²	60	86.9 Å²	86.9	42%	0.42	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-19.7	177.7	74.2	0	0	0	0	112.8	D272 S276	D272-S274 PolarHBondContact O-N 2.96Å; D272-S274 VanDerWaalsContact OD1-CB 3.26Å; D272-S274 WeakPolarHBondContact OD1-CB 3.26Å; D272-S274 PolarHBondContact OD1-N 3.02Å; D272-S274 PolarHBondContact OD1-OG 3.45Å; D272-S274 PolarHBondContact OD2-OG 3.27Å; S274-S276 VanDerWaalsContact C-N 3.33Å; S274-S276 PolarHBondContact O-N 3.46Å
275	I	84.3	Confident	85.7	Confident	13 Å²	13	83.8 Å²	83.8	7%	0.067	44%	0.438	C	S	.	.	S	Bend	trans	-62.9	-40.1	176.2	-67.3	173.5	0	0	0	110.7	Y225 F227 W258 M259 P261 D272 R273 S277	Y225-I275 HydrophobicContact CD2-CD1 4.46Å; Y225-I275 HydrophobicContact CE1-CD1 4.06Å; Y225-I275 HydrophobicContact CE1-CG2 4.02Å; Y225-I275 HydrophobicContact CE2-CD1 3.6Å; Y225-I275 VanDerWaalsContact OH-CD1 3.24Å; Y225-I275 WeakPolarHBondContact OH-CD1 3.38Å; F227-I275 HydrophobicContact CD1-CG2 3.7Å; F227-I275 HydrophobicContact CE1-CG2 3.64Å; W258-I275 CarbonylContact C-O 3.55Å; W258-I275 VanDerWaalsContact CA-O 3.25Å; W258-I275 WeakPolarHBondContact CA-O 3.35Å; M259-I275 PolarHBondContact N-O 3.15Å; P261-I275 HydrophobicContact CB-CD1 4.18Å; D272-I275 HydrophobicContact CB-CD1 3.84Å; D272-I275 HydrophobicContact CB-CG1 4.05Å; D272-I275 WeakPolarHBondContact O-CB 3.18Å; D272-I275 PolarHBondContact O-N 3.41Å; R273-I275 PolarHBondContact O-N 3.26Å; I275-S277 PolarHBondContact O-N 2.89Å
276	S	83.5	Confident	86.4	Confident	65 Å²	65	82.6 Å²	82.6	46%	0.455	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	103.5	169	59.2	0	0	0	0	109.4	R273 S274	R273-S276 PolarHBondContact O-N 3.42Å; R273-S276 PolarHBondContact O-OG 2.98Å; S274-S276 VanDerWaalsContact C-N 3.33Å; S274-S276 PolarHBondContact O-N 3.46Å
277	S	84.8	Confident	87.4	Confident	58 Å²	58	78.6 Å²	78.6	41%	0.406	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-56.2	-174.7	177.8	0	0	0	0	111.9	C257 I275	C257-S277 WeakPolarHBondContact O-CB 3.4Å; C257-S277 PolarHBondContact O-N 3.02Å; I275-S277 PolarHBondContact O-N 2.89Å
278	E	91.5	Very high	88.6	Confident	51 Å²	51	79.3 Å²	79.3	24%	0.238	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	152.7	-171.9	-172	176.6	-169.4	0	0	111.2	C257 L280 S314	C257-E278 HydrophobicContact CB-CB 3.98Å; C257-E278 PolarHBondContact N-O 2.87Å; C257-E278 PolarHBondContact O-N 3.14Å; E278-L280 VanDerWaalsContact CD-CD2 3.44Å; E278-L280 HydrophobicContact CG-CD2 3.94Å; E278-L280 WeakPolarHBondContact OE1-CD2 3.47Å; E278-S314 PolarHBondContact OE2-N 2.98Å
279	V	95.3	Very high	89.5	Confident	55 Å²	55	70.1 Å²	70.1	33%	0.333	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	106.1	170.9	-176.4	0	0	0	0	108.4	T254 R256 R281	T254-V279 HydrophobicContact CG2-CG1 3.94Å; R256-V279 HydrophobicContact CG-CG1 4.32Å; R256-V279 HydrophobicContact CG-CG2 4.32Å; V279-R281 HydrophobicContact CG1-CG 4.17Å; V279-R281 PolarHBondContact O-N 2.72Å
280	L	96.4	Very high	90.5	Very high	4 Å²	4	66.1 Å²	66.1	2%	0.021	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	117.1	177.8	-52.7	177.1	0	0	0	108.9	V255 E278 L299 W311 A318	V255-L280 HydrophobicContact CB-CB 4.12Å; V255-L280 HydrophobicContact CB-CD1 4.25Å; V255-L280 HydrophobicContact CG1-CD1 4.09Å; V255-L280 PolarHBondContact N-O 2.79Å; V255-L280 WeakPolarHBondContact O-CB 3.28Å; V255-L280 PolarHBondContact O-N 3.38Å; E278-L280 VanDerWaalsContact CD-CD2 3.44Å; E278-L280 HydrophobicContact CG-CD2 3.94Å; E278-L280 WeakPolarHBondContact OE1-CD2 3.47Å; L280-L299 HydrophobicContact CD1-CD2 4.01Å; L280-W311 HydrophobicContact CB-CD2 4.39Å; L280-W311 HydrophobicContact CB-CE3 4.02Å; L280-W311 HydrophobicContact CB-CH2 4.46Å; L280-W311 HydrophobicContact CB-CZ3 4.06Å; L280-W311 HydrophobicContact CD1-CB 4.04Å; L280-W311 HydrophobicContact CD1-CD2 4.1Å; L280-W311 HydrophobicContact CD1-CE3 4.28Å; L280-W311 HydrophobicContact CD1-CG 4Å; L280-W311 HydrophobicContact CD2-CE3 4.4Å; L280-W311 HydrophobicContact CG-CE3 4.48Å; L280-A318 HydrophobicContact CD2-CB 3.52Å
281	R	95.9	Very high	91.5	Very high	177 Å²	177	61.2 Å²	61.2	67%	0.668	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.7	-179.8	-63.3	-178.9	179.6	-81.6	-1.1	109.2	T254 V279	T254-R281 HydrophobicContact CG2-CG 4.47Å; V279-R281 HydrophobicContact CG1-CG 4.17Å; V279-R281 PolarHBondContact O-N 2.72Å
282	G	93.5	Very high	92.5	Very high	31 Å²	31	56.5 Å²	56.5	32%	0.32	29%	0.288	S	S	.	.			trans	165.1	-12.5	176.3	0	0	0	0	0	114.5	K309	G282-K309 WeakPolarHBondContact O-CE 3.37Å; G282-K309 PolarHBondContact O-NZ 2.82Å; G282-K309 VanDerWaalsContact O-NZ 3.11Å
283	H	97.6	Very high	93.2	Very high	11 Å²	11	52.7 Å²	52.7	5%	0.051	27%	0.268	C	S	.	.			trans	-81.4	147.7	165	-79.3	-59.7	0	0	0	111.4	V287 S301 S303 D305 T307 K309 W311	H283-V287 HydrophobicContact CB-CG2 4.44Å; H283-S301 PolarHBondContact CD2-OG 2.75Å; H283-S301 PolarHBondContact NE2-OG 2.94Å; H283-S303 WeakPolarHBondContact CE1-CB 3.21Å; H283-S303 WeakPolarHBondContact ND1-CB 3.25Å; H283-D305 VanDerWaalsContact CA-OD2 3.25Å; H283-D305 WeakPolarHBondContact CA-OD2 3.35Å; H283-D305 WeakPolarHBondContact CB-OD2 3.3Å; H283-D305 IonicContact CE1-OD1 3.14Å; H283-D305 IonicContact CE1-OD2 3.95Å; H283-D305 IonicContact CG-OD2 3.56Å; H283-D305 IonicContact ND1-OD1 2.86Å; H283-D305 PolarHBondContact ND1-OD1 3.01Å; H283-D305 IonicContact ND1-OD2 2.85Å; H283-D305 PolarHBondContact ND1-OD2 2.74Å; H283-T307 PolarHBondContact CE1-OG1 2.87Å; H283-T307 PolarHBondContact ND1-OG1 2.87Å; H283-K309 VanDerWaalsContact CE1-CD 3.47Å; H283-K309 WeakPolarHBondContact CE1-CD 3.5Å; H283-K309 WeakPolarHBondContact ND1-CE 3.48Å; H283-W311 AromaticContact CD2-CZ2 3.99Å
284	D	97.1	Very high	93.6	Very high	125 Å²	125	46.5 Å²	46.5	67%	0.668	26%	0.256	S	S	*	.	S	Bend	trans	-103.2	-4.4	-179.5	-71.4	-41.6	0	0	0	113	K253 D305	K253-D284 VanDerWaalsContact CD-O 3.3Å; K253-D284 WeakPolarHBondContact CD-O 3.47Å; K253-D284 VanDerWaalsContact CE-O 3.31Å; K253-D284 WeakPolarHBondContact CE-O 3.01Å; K253-D284 PolarHBondContact NZ-O 3.34Å; D284-D305 HydrophobicContact CB-CB 4.19Å; D284-D305 PolarHBondContact N-OD2 2.97Å
285	D	97.5	Very high	93.7	Very high	70 Å²	70	47.2 Å²	47.2	37%	0.374	26%	0.262	S	S	.	.	S	Bend	trans	-147.7	-176.7	178.3	-150	-13.8	0	0	0	112	K253 S303 A304 D305	K253-D285 WeakPolarHBondContact CA-O 3.4Å; D285-S303 PolarHBondContact O-OG 3.18Å; D285-S303 VanDerWaalsContact O-OG 3.07Å; D285-A304 HydrophobicContact CB-CB 3.73Å; D285-D305 HydrophobicContact CB-CB 3.94Å
286	A	98.1	Very high	93.8	Very high	4 Å²	4	49.4 Å²	49.4	3%	0.033	27%	0.273	C	S	.	.			trans	-54.5	142.5	-176.1	0	0	0	0	0	113.1	L235 M251 S303 A304	L235-A286 HydrophobicContact CD1-CB 3.98Å; M251-A286 HydrophobicContact CG-CB 4.29Å; A286-S303 CarbonylContact O-C 3.55Å; A286-S303 WeakPolarHBondContact O-CA 3.37Å; A286-S303 WeakPolarHBondContact O-CB 3.14Å; A286-S303 PolarHBondContact O-OG 2.92Å; A286-A304 HydrophobicContact CB-CB 4.27Å; A286-A304 PolarHBondContact O-N 3.24Å
287	V	98.5	Very high	94.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	112.5	175.4	-175.9	0	0	0	0	109.4	C236 G250 V255 H283 L290 A302	C236-V287 PolarHBondContact SG-O 2.96Å; C236-V287 VanDerWaalsContact SG-O 3.35Å; G250-V287 PolarHBondContact O-N 3.13Å; G250-V287 VanDerWaalsContact O-N 3.09Å; V255-V287 HydrophobicContact CG2-CG1 4.12Å; V255-V287 HydrophobicContact CG2-CG2 4.02Å; H283-V287 HydrophobicContact CB-CG2 4.44Å; V287-L290 HydrophobicContact CG1-CD2 4.26Å; V287-L290 HydrophobicContact CG1-CG 4.23Å; V287-A302 CarbonylContact C-O 3.57Å; V287-A302 WeakPolarHBondContact CA-O 3.25Å
288	W	98	Very high	94.7	Very high	106 Å²	106	50.4 Å²	50.4	40%	0.402	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-33	-175.2	-70.3	120.9	0	0	0	113.8	L235 C236 A302	L235-W288 HydrophobicContact CD1-CE3 3.9Å; L235-W288 HydrophobicContact CD1-CH2 4.34Å; L235-W288 HydrophobicContact CD1-CZ3 3.79Å; L235-W288 HydrophobicContact CD2-CZ3 4.38Å; C236-W288 WeakPolarHBondContact CB-O 3.47Å; W288-A302 PolarHBondContact N-O 2.83Å
289	S	98.3	Very high	95	Very high	14 Å²	14	48 Å²	48	10%	0.098	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	147.8	-174.6	-171	0	0	0	0	111.7	S301 A302 V335	S289-S301 WeakPolarHBondContact O-CA 3.46Å; S289-A302 PolarHBondContact N-O 3.3Å; S289-A302 PolarHBondContact O-N 3.46Å; S289-V335 PolarHBondContact OG-N 2.98Å
290	L	98.2	Very high	95.1	Very high	13 Å²	13	45.4 Å²	45.4	7%	0.068	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.7	178.4	-75.6	171.3	0	0	0	108.7	C238 T248 V255 V287 L299 I300 S301	C238-L290 HydrophobicContact CB-CB 4.41Å; T248-L290 VanDerWaalsContact C-CD1 3.44Å; V255-L290 HydrophobicContact CG1-CD1 3.97Å; V255-L290 HydrophobicContact CG1-CD2 3.84Å; V255-L290 HydrophobicContact CG2-CD2 3.89Å; V287-L290 HydrophobicContact CG1-CD2 4.26Å; V287-L290 HydrophobicContact CG1-CG 4.23Å; L290-L299 HydrophobicContact CD2-CD1 4.22Å; L290-L299 HydrophobicContact CD2-CD2 4.19Å; L290-L299 HydrophobicContact CD2-CG 4.23Å; L290-I300 WeakPolarHBondContact CA-O 3.31Å; L290-S301 VanDerWaalsContact CD2-CB 3.46Å
291	A	97.5	Very high	95.2	Very high	8 Å²	8	45.2 Å²	45.2	7%	0.066	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.4	168.5	0	0	0	0	0	109.1	L299 I300 V335 F337	A291-L299 VanDerWaalsContact O-CD1 3.3Å; A291-L299 WeakPolarHBondContact O-CD1 3.31Å; A291-I300 HydrophobicContact CB-CG2 3.89Å; A291-I300 PolarHBondContact N-O 3.31Å; A291-I300 PolarHBondContact O-N 3.09Å; A291-V335 HydrophobicContact CB-CG1 4.37Å; A291-F337 HydrophobicContact CB-CD2 3.9Å; A291-F337 HydrophobicContact CB-CE2 4.13Å; A291-F337 VanDerWaalsContact O-CE2 3.32Å; A291-F337 WeakPolarHBondContact O-CE2 3.37Å
292	F	96.4	Very high	95.3	Very high	31 Å²	31	36.8 Å²	36.8	14%	0.136	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.4	178.1	-167.1	-80.4	0	0	0	109.5	P241 Y247 L299 P313	P241-F292 HydrophobicContact CG-CD1 4.11Å; P241-F292 HydrophobicContact CG-CE1 4.21Å; Y247-F292 AromaticContact CD2-CD2 3.76Å; Y247-F292 HydrophobicContact CD2-CD2 3.76Å; Y247-F292 HydrophobicContact CD2-CE2 4.24Å; Y247-F292 AromaticContact CE2-CD2 3.34Å; Y247-F292 HydrophobicContact CE2-CD2 3.34Å; Y247-F292 AromaticContact CE2-CE2 3.38Å; Y247-F292 HydrophobicContact CE2-CE2 3.38Å; Y247-F292 HydrophobicContact CE2-CG 4.3Å; Y247-F292 HydrophobicContact CE2-CZ 4.35Å; Y247-F292 AromaticContact CZ-CD2 3.99Å; Y247-F292 AromaticContact CZ-CE2 3.62Å; F292-L299 HydrophobicContact CB-CD1 4.11Å; F292-L299 HydrophobicContact CD2-CB 4.07Å; F292-L299 HydrophobicContact CD2-CD1 3.85Å; F292-L299 HydrophobicContact CE2-CB 4.49Å; F292-L299 HydrophobicContact CG-CD1 4.46Å; F292-P313 HydrophobicContact CE2-CG 4.22Å
293	H	94.2	Very high	95.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.189	C	C	.	.			trans	-72.7	138.6	-176	-167.9	-94.5	0	0	0	111.4	S295 D296 R298 F337 L342	H293-S295 PolarHBondContact CE1-OG 2.85Å; H293-S295 PolarHBondContact ND1-N 3.46Å; H293-S295 PolarHBondContact ND1-OG 2.98Å; H293-S295 PolarHBondContact O-N 3.23Å; H293-D296 HydrophobicContact CB-CB 4.34Å; H293-D296 IonicContact CE1-OD1 3.88Å; H293-D296 VanDerWaalsContact ND1-CB 3.29Å; H293-D296 WeakPolarHBondContact ND1-CB 3.29Å; H293-D296 PolarHBondContact ND1-N 2.96Å; H293-D296 IonicContact ND1-OD1 3.79Å; H293-R298 HydrophobicContact CB-CB 3.95Å; H293-R298 WeakPolarHBondContact CB-O 3.33Å; H293-R298 PolarHBondContact N-O 2.84Å; H293-F337 HydrophobicContact CB-CD2 4.14Å; H293-F337 HydrophobicContact CB-CE1 4.44Å; H293-F337 HydrophobicContact CB-CE2 3.86Å; H293-F337 HydrophobicContact CB-CZ 4.03Å; H293-F337 AromaticContact CD2-CD1 3.68Å; H293-F337 AromaticContact CD2-CE1 4Å; H293-F337 AromaticContact CD2-CG 3.86Å; H293-F337 VanDerWaalsContact N-CE2 3.3Å; H293-L342 WeakPolarHBondContact NE2-CB 3.33Å; H293-L342 PolarHBondContact NE2-O 3.16Å
294	S	86.5	Confident	95.5	Very high	79 Å²	79	36.1 Å²	36.1	55%	0.552	20%	0.197	S	C	*	.	S	Bend	trans	-71.3	-28	-169.9	58.6	0	0	0	0	114.4	P241	P241-S294 VanDerWaalsContact CG-O 3.3Å; P241-S294 WeakPolarHBondContact CG-O 3.11Å
295	S	85.2	Confident	95.4	Very high	76 Å²	76	32.2 Å²	32.2	53%	0.531	18%	0.176	S	C	.	.	S	Bend	trans	-116.5	-24.5	-178.4	63.8	0	0	0	0	114.6	H293	H293-S295 PolarHBondContact CE1-OG 2.85Å; H293-S295 PolarHBondContact ND1-N 3.46Å; H293-S295 PolarHBondContact ND1-OG 2.98Å; H293-S295 PolarHBondContact O-N 3.23Å
296	D	86.3	Confident	95.3	Very high	58 Å²	58	29.6 Å²	29.6	31%	0.31	17%	0.166	S	C	.	.	S	Bend	trans	-110	148.1	-171.1	-67.6	17.7	0	0	0	107	H293 R298	H293-D296 HydrophobicContact CB-CB 4.34Å; H293-D296 IonicContact CE1-OD1 3.88Å; H293-D296 VanDerWaalsContact ND1-CB 3.29Å; H293-D296 WeakPolarHBondContact ND1-CB 3.29Å; H293-D296 PolarHBondContact ND1-N 2.96Å; H293-D296 IonicContact ND1-OD1 3.79Å; D296-R298 HydrophobicContact CB-CB 4.31Å; D296-R298 HydrophobicContact CB-CG 3.9Å; D296-R298 PolarHBondContact O-N 2.86Å; D296-R298 IonicContact OD2-NE 3.57Å; D296-R298 PolarHBondContact OD2-NE 3.04Å
297	N	92.8	Very high	95.2	Very high	71 Å²	71	30.3 Å²	30.3	38%	0.38	17%	0.17	S	C	.	.	S	Bend	trans	-75.9	53.9	174	-172.8	42.9	0	0	0	110.9	E312 P313	N297-E312 WeakPolarHBondContact O-CA 3.32Å; N297-E312 WeakPolarHBondContact O-CG 3.35Å; N297-P313 PolarHBondContact ND2-O 2.97Å; N297-P313 VanDerWaalsContact O-CD 3.29Å; N297-P313 WeakPolarHBondContact O-CD 3.38Å
298	R	94.9	Very high	95.1	Very high	73 Å²	73	30.4 Å²	30.4	28%	0.275	17%	0.17	S	C	.	.			trans	-116.7	133.5	-177.2	-66.9	179.7	-167.9	-120.4	3	109.9	H293 D296 L310 W311	H293-R298 HydrophobicContact CB-CB 3.95Å; H293-R298 WeakPolarHBondContact CB-O 3.33Å; H293-R298 PolarHBondContact N-O 2.84Å; D296-R298 HydrophobicContact CB-CB 4.31Å; D296-R298 HydrophobicContact CB-CG 3.9Å; D296-R298 PolarHBondContact O-N 2.86Å; D296-R298 IonicContact OD2-NE 3.57Å; D296-R298 PolarHBondContact OD2-NE 3.04Å; R298-L310 HydrophobicContact CB-CD1 4.16Å; R298-W311 CarbonylContact C-O 3.51Å; R298-W311 VanDerWaalsContact CA-O 3.31Å; R298-W311 WeakPolarHBondContact CA-O 3.38Å
299	L	96.9	Very high	95	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.3	175.8	178.8	75.2	0	0	0	108	C238 Y247 V255 L280 L290 A291 F292 W311 P313	C238-L299 WeakPolarHBondContact SG-CD1 3.3Å; Y247-L299 HydrophobicContact CD1-CD2 3.95Å; Y247-L299 HydrophobicContact CD2-CD1 4.36Å; Y247-L299 HydrophobicContact CG-CD1 4.2Å; Y247-L299 HydrophobicContact CG-CD2 4.11Å; V255-L299 HydrophobicContact CG1-CD2 3.7Å; L280-L299 HydrophobicContact CD1-CD2 4.01Å; L290-L299 HydrophobicContact CD2-CD1 4.22Å; L290-L299 HydrophobicContact CD2-CD2 4.19Å; L290-L299 HydrophobicContact CD2-CG 4.23Å; A291-L299 VanDerWaalsContact O-CD1 3.3Å; A291-L299 WeakPolarHBondContact O-CD1 3.31Å; F292-L299 HydrophobicContact CB-CD1 4.11Å; F292-L299 HydrophobicContact CD2-CB 4.07Å; F292-L299 HydrophobicContact CD2-CD1 3.85Å; F292-L299 HydrophobicContact CE2-CB 4.49Å; F292-L299 HydrophobicContact CG-CD1 4.46Å; L299-W311 HydrophobicContact CB-CB 4.3Å; L299-W311 PolarHBondContact N-O 3.4Å; L299-W311 PolarHBondContact O-N 2.7Å; L299-P313 HydrophobicContact CB-CG 4.24Å
300	I	97.3	Very high	94.9	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.1	172.3	-166.5	167.1	0	0	0	109.6	L290 A291 K309 L310 V335 F337 A345 L359	L290-I300 WeakPolarHBondContact CA-O 3.31Å; A291-I300 HydrophobicContact CB-CG2 3.89Å; A291-I300 PolarHBondContact N-O 3.31Å; A291-I300 PolarHBondContact O-N 3.09Å; I300-K309 WeakPolarHBondContact CA-O 3.39Å; I300-L310 HydrophobicContact CB-CD1 4.3Å; I300-V335 HydrophobicContact CB-CG2 4.36Å; I300-V335 HydrophobicContact CD1-CG2 3.73Å; I300-V335 HydrophobicContact CG1-CG2 3.92Å; I300-V335 HydrophobicContact CG2-CB 4.39Å; I300-V335 HydrophobicContact CG2-CG1 3.9Å; I300-V335 HydrophobicContact CG2-CG2 3.56Å; I300-F337 HydrophobicContact CB-CE1 4.33Å; I300-F337 HydrophobicContact CB-CE2 4.24Å; I300-F337 HydrophobicContact CB-CZ 3.7Å; I300-F337 HydrophobicContact CG2-CD2 4.25Å; I300-F337 HydrophobicContact CG2-CE1 4.05Å; I300-F337 HydrophobicContact CG2-CE2 3.55Å; I300-F337 HydrophobicContact CG2-CZ 3.43Å; I300-F337 VanDerWaalsContact CG2-CZ 3.43Å; I300-A345 HydrophobicContact CD1-CB 3.93Å; I300-L359 HydrophobicContact CD1-CD2 4.18Å
301	S	98.3	Very high	94.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.5	177.8	59.9	0	0	0	0	111.3	H283 S289 L290 L308 K309 W311	H283-S301 PolarHBondContact CD2-OG 2.75Å; H283-S301 PolarHBondContact NE2-OG 2.94Å; S289-S301 WeakPolarHBondContact O-CA 3.46Å; L290-S301 VanDerWaalsContact CD2-CB 3.46Å; S301-L308 CarbonylContact O-C 3.47Å; S301-L308 WeakPolarHBondContact O-CA 3.33Å; S301-K309 PolarHBondContact N-O 2.91Å; S301-K309 PolarHBondContact O-N 2.72Å; S301-K309 PolarHBondContact OG-O 3.36Å; S301-W311 PolarHBondContact OG-NE1 2.81Å
302	A	97.9	Very high	94.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.3	173	0	0	0	0	0	110.3	V287 W288 S289 L308 P332 V335	V287-A302 CarbonylContact C-O 3.57Å; V287-A302 WeakPolarHBondContact CA-O 3.25Å; W288-A302 PolarHBondContact N-O 2.83Å; S289-A302 PolarHBondContact N-O 3.3Å; S289-A302 PolarHBondContact O-N 3.46Å; A302-L308 HydrophobicContact CB-CD2 3.55Å; A302-P332 HydrophobicContact CB-CB 3.96Å; A302-P332 HydrophobicContact CB-CG 4.21Å; A302-V335 HydrophobicContact CB-CB 4.19Å; A302-V335 HydrophobicContact CB-CG1 4.11Å
303	S	98.2	Very high	94.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152.2	-175	176.6	0	0	0	0	114	H283 D285 A286 D305 G306 T307 P332	H283-S303 WeakPolarHBondContact CE1-CB 3.21Å; H283-S303 WeakPolarHBondContact ND1-CB 3.25Å; D285-S303 PolarHBondContact O-OG 3.18Å; D285-S303 VanDerWaalsContact O-OG 3.07Å; A286-S303 CarbonylContact O-C 3.55Å; A286-S303 WeakPolarHBondContact O-CA 3.37Å; A286-S303 WeakPolarHBondContact O-CB 3.14Å; A286-S303 PolarHBondContact O-OG 2.92Å; S303-D305 WeakPolarHBondContact CB-OD1 3.43Å; S303-D305 PolarHBondContact O-N 3.05Å; S303-D305 PolarHBondContact OG-N 2.81Å; S303-D305 PolarHBondContact OG-OD1 2.89Å; S303-G306 PolarHBondContact O-N 2.99Å; S303-T307 PolarHBondContact N-O 3.2Å; S303-P332 WeakPolarHBondContact O-CD 3.34Å; S303-P332 WeakPolarHBondContact O-CG 3.31Å
304	A	96.9	Very high	94.4	Very high	28 Å²	28	31.5 Å²	31.5	23%	0.231	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-19.1	168.8	0	0	0	0	0	114.5	D285 A286 G306 S331	D285-A304 HydrophobicContact CB-CB 3.73Å; A286-A304 HydrophobicContact CB-CB 4.27Å; A286-A304 PolarHBondContact O-N 3.24Å; A304-G306 PolarHBondContact O-N 2.83Å; A304-G306 VanDerWaalsContact O-N 3.12Å; A304-S331 VanDerWaalsContact CA-OG 3.31Å; A304-S331 WeakPolarHBondContact CA-OG 3.44Å
305	D	95.9	Very high	94.7	Very high	42 Å²	42	29 Å²	29	23%	0.225	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-0.7	177.4	67.9	13.8	0	0	0	114	H283 D284 D285 S303 T307	H283-D305 VanDerWaalsContact CA-OD2 3.25Å; H283-D305 WeakPolarHBondContact CA-OD2 3.35Å; H283-D305 WeakPolarHBondContact CB-OD2 3.3Å; H283-D305 IonicContact CE1-OD1 3.14Å; H283-D305 IonicContact CE1-OD2 3.95Å; H283-D305 IonicContact CG-OD2 3.56Å; H283-D305 IonicContact ND1-OD1 2.86Å; H283-D305 PolarHBondContact ND1-OD1 3.01Å; H283-D305 IonicContact ND1-OD2 2.85Å; H283-D305 PolarHBondContact ND1-OD2 2.74Å; D284-D305 HydrophobicContact CB-CB 4.19Å; D284-D305 PolarHBondContact N-OD2 2.97Å; D285-D305 HydrophobicContact CB-CB 3.94Å; S303-D305 WeakPolarHBondContact CB-OD1 3.43Å; S303-D305 PolarHBondContact O-N 3.05Å; S303-D305 PolarHBondContact OG-N 2.81Å; S303-D305 PolarHBondContact OG-OD1 2.89Å; D305-T307 VanDerWaalsContact CG-OG1 3.3Å; D305-T307 WeakPolarHBondContact OD1-CA 3.32Å; D305-T307 WeakPolarHBondContact OD1-CB 3.29Å; D305-T307 PolarHBondContact OD1-N 3.31Å; D305-T307 PolarHBondContact OD1-OG1 2.79Å; D305-T307 PolarHBondContact OD2-OG1 3.22Å
306	G	94.7	Very high	94.9	Very high	16 Å²	16	33.1 Å²	33.1	17%	0.165	19%	0.187	C	C	.	.	S	Bend	trans	83.1	14	-179.6	0	0	0	0	0	113.4	S303 A304 A325	S303-G306 PolarHBondContact O-N 2.99Å; A304-G306 PolarHBondContact O-N 2.83Å; A304-G306 VanDerWaalsContact O-N 3.12Å; G306-A325 VanDerWaalsContact O-CB 3.27Å; G306-A325 WeakPolarHBondContact O-CB 3.22Å; G306-A325 PolarHBondContact O-N 3.43Å
307	T	95.8	Very high	95.2	Very high	18 Å²	18	34.9 Å²	34.9	11%	0.11	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148.3	-179.4	74.3	0	0	0	0	113.1	H283 S303 D305 K309 T322 Y323 V324	H283-T307 PolarHBondContact CE1-OG1 2.87Å; H283-T307 PolarHBondContact ND1-OG1 2.87Å; S303-T307 PolarHBondContact N-O 3.2Å; D305-T307 VanDerWaalsContact CG-OG1 3.3Å; D305-T307 WeakPolarHBondContact OD1-CA 3.32Å; D305-T307 WeakPolarHBondContact OD1-CB 3.29Å; D305-T307 PolarHBondContact OD1-N 3.31Å; D305-T307 PolarHBondContact OD1-OG1 2.79Å; D305-T307 PolarHBondContact OD2-OG1 3.22Å; T307-K309 WeakPolarHBondContact OG1-CE 3.36Å; T307-T322 HydrophobicContact CG2-CG2 4.03Å; T307-Y323 CarbonylContact C-O 3.52Å; T307-Y323 VanDerWaalsContact CA-O 3.26Å; T307-Y323 WeakPolarHBondContact CA-O 3.27Å; T307-V324 HydrophobicContact CG2-CG2 4.38Å
308	L	96.4	Very high	95.3	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138	159.2	-48.9	168.2	0	0	0	108.1	S301 A302 T322 Y323 P332 A347 Y357	S301-L308 CarbonylContact O-C 3.47Å; S301-L308 WeakPolarHBondContact O-CA 3.33Å; A302-L308 HydrophobicContact CB-CD2 3.55Å; L308-T322 CarbonylContact O-C 3.54Å; L308-T322 WeakPolarHBondContact O-CA 3.29Å; L308-Y323 HydrophobicContact CB-CD2 4.38Å; L308-Y323 PolarHBondContact N-O 2.92Å; L308-Y323 PolarHBondContact O-N 2.92Å; L308-P332 HydrophobicContact CD2-CB 3.64Å; L308-P332 HydrophobicContact CD2-CG 4.03Å; L308-A347 HydrophobicContact CD1-CB 3.35Å; L308-A347 HydrophobicContact CD2-CB 3.98Å; L308-A347 HydrophobicContact CG-CB 4.28Å; L308-Y357 HydrophobicContact CD1-CD2 3.97Å; L308-Y357 HydrophobicContact CD1-CE2 3.73Å
309	K	96.8	Very high	95.3	Very high	20 Å²	20	31.5 Å²	31.5	9%	0.087	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.3	176.1	-70.3	178.5	-169	-86.9	0	110.2	G282 H283 I300 S301 T307 W311 L319 A321 T322	G282-K309 WeakPolarHBondContact O-CE 3.37Å; G282-K309 PolarHBondContact O-NZ 2.82Å; G282-K309 VanDerWaalsContact O-NZ 3.11Å; H283-K309 VanDerWaalsContact CE1-CD 3.47Å; H283-K309 WeakPolarHBondContact CE1-CD 3.5Å; H283-K309 WeakPolarHBondContact ND1-CE 3.48Å; I300-K309 WeakPolarHBondContact CA-O 3.39Å; S301-K309 PolarHBondContact N-O 2.91Å; S301-K309 PolarHBondContact O-N 2.72Å; S301-K309 PolarHBondContact OG-O 3.36Å; T307-K309 WeakPolarHBondContact OG1-CE 3.36Å; K309-W311 HydrophobicContact CB-CD2 4.46Å; K309-W311 HydrophobicContact CB-CH2 4.49Å; K309-W311 HydrophobicContact CB-CZ2 3.53Å; K309-W311 HydrophobicContact CD-CH2 3.88Å; K309-W311 HydrophobicContact CD-CZ2 3.48Å; K309-W311 VanDerWaalsContact CD-CZ2 3.48Å; K309-W311 HydrophobicContact CG-CZ2 4.12Å; K309-W311 VanDerWaalsContact O-CD1 3.29Å; K309-W311 PolarHBondContact O-NE1 3.36Å; K309-L319 HydrophobicContact CB-CD1 3.79Å; K309-L319 HydrophobicContact CD-CD1 4.05Å; K309-L319 HydrophobicContact CG-CD1 3.99Å; K309-A321 WeakPolarHBondContact CA-O 3.15Å; K309-T322 HydrophobicContact CG-CG2 4.12Å; K309-T322 PolarHBondContact NZ-OG1 2.97Å
310	L	96.7	Very high	95.1	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127	173.4	-174.6	69.7	0	0	0	108.5	R298 I300 L320 A321 Y323 F337 L359	R298-L310 HydrophobicContact CB-CD1 4.16Å; I300-L310 HydrophobicContact CB-CD1 4.3Å; L310-L320 HydrophobicContact CD2-CB 4.42Å; L310-L320 HydrophobicContact CD2-CD1 4.24Å; L310-L320 HydrophobicContact CG-CB 4.42Å; L310-L320 HydrophobicContact CG-CD1 4.28Å; L310-L320 WeakPolarHBondContact O-CB 3.33Å; L310-L320 PolarHBondContact O-N 3.07Å; L310-A321 HydrophobicContact CB-CB 4.27Å; L310-A321 PolarHBondContact N-O 2.86Å; L310-A321 PolarHBondContact O-N 2.78Å; L310-Y323 HydrophobicContact CB-CE2 4.05Å; L310-F337 HydrophobicContact CD1-CZ 4.38Å; L310-L359 HydrophobicContact CD1-CD2 4.37Å; L310-L359 HydrophobicContact CD2-CD2 4.45Å
311	W	97.1	Very high	95	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151.2	-175.9	-45.7	86.3	0	0	0	110.5	L280 H283 R298 L299 S301 K309 A318 L319	L280-W311 HydrophobicContact CB-CD2 4.39Å; L280-W311 HydrophobicContact CB-CE3 4.02Å; L280-W311 HydrophobicContact CB-CH2 4.46Å; L280-W311 HydrophobicContact CB-CZ3 4.06Å; L280-W311 HydrophobicContact CD1-CB 4.04Å; L280-W311 HydrophobicContact CD1-CD2 4.1Å; L280-W311 HydrophobicContact CD1-CE3 4.28Å; L280-W311 HydrophobicContact CD1-CG 4Å; L280-W311 HydrophobicContact CD2-CE3 4.4Å; L280-W311 HydrophobicContact CG-CE3 4.48Å; H283-W311 AromaticContact CD2-CZ2 3.99Å; R298-W311 CarbonylContact C-O 3.51Å; R298-W311 VanDerWaalsContact CA-O 3.31Å; R298-W311 WeakPolarHBondContact CA-O 3.38Å; L299-W311 HydrophobicContact CB-CB 4.3Å; L299-W311 PolarHBondContact N-O 3.4Å; L299-W311 PolarHBondContact O-N 2.7Å; S301-W311 PolarHBondContact OG-NE1 2.81Å; K309-W311 HydrophobicContact CB-CD2 4.46Å; K309-W311 HydrophobicContact CB-CH2 4.49Å; K309-W311 HydrophobicContact CB-CZ2 3.53Å; K309-W311 HydrophobicContact CD-CH2 3.88Å; K309-W311 HydrophobicContact CD-CZ2 3.48Å; K309-W311 VanDerWaalsContact CD-CZ2 3.48Å; K309-W311 HydrophobicContact CG-CZ2 4.12Å; K309-W311 VanDerWaalsContact O-CD1 3.29Å; K309-W311 PolarHBondContact O-NE1 3.36Å; W311-A318 CarbonylContact C-O 3.56Å; W311-A318 WeakPolarHBondContact CA-O 3.47Å; W311-L319 HydrophobicContact CD2-CD1 4.11Å; W311-L319 HydrophobicContact CE3-CB 3.85Å; W311-L319 HydrophobicContact CE3-CD1 3.89Å; W311-L319 HydrophobicContact CE3-CG 4.48Å; W311-L319 HydrophobicContact CH2-CD1 3.98Å; W311-L319 HydrophobicContact CZ2-CD1 4.19Å; W311-L319 HydrophobicContact CZ3-CB 3.72Å; W311-L319 HydrophobicContact CZ3-CD1 3.83Å; W311-L319 HydrophobicContact CZ3-CG 4.27Å
312	E	95.7	Very high	94.8	Very high	79 Å²	79	39.1 Å²	39.1	37%	0.369	24%	0.236	S	C	.	.			trans	-117.2	102.3	163.7	-176.6	173	-148.3	0	0	107.7	N297 A315 A318 L320	N297-E312 WeakPolarHBondContact O-CA 3.32Å; N297-E312 WeakPolarHBondContact O-CG 3.35Å; E312-A315 HydrophobicContact CB-CB 3.8Å; E312-A315 HydrophobicContact CG-CB 3.66Å; E312-A315 WeakPolarHBondContact O-CB 3.49Å; E312-A315 PolarHBondContact O-N 3.41Å; E312-A315 VanDerWaalsContact O-N 3.15Å; E312-A315 WeakPolarHBondContact OE2-CB 3.42Å; E312-A318 PolarHBondContact N-O 3.03Å; E312-L320 HydrophobicContact CB-CD1 3.84Å; E312-L320 HydrophobicContact CB-CD2 4.08Å; E312-L320 HydrophobicContact CB-CG 3.95Å
313	P	93.4	Very high	94.6	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.013	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	143.2	179.8	-26.1	37	0	0	0	111.3	Y247 F292 N297 L299 A315	Y247-P313 HydrophobicContact CE1-CB 3.9Å; Y247-P313 HydrophobicContact CE1-CG 3.71Å; F292-P313 HydrophobicContact CE2-CG 4.22Å; N297-P313 PolarHBondContact ND2-O 2.97Å; N297-P313 VanDerWaalsContact O-CD 3.29Å; N297-P313 WeakPolarHBondContact O-CD 3.38Å; L299-P313 HydrophobicContact CB-CG 4.24Å; P313-A315 PolarHBondContact O-N 3.19Å
314	S	89.8	Confident	94.4	Very high	90 Å²	90	44.6 Å²	44.6	63%	0.629	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	-4.9	-173.9	-47.5	0	0	0	0	116.4	E278	E278-S314 PolarHBondContact OE2-N 2.98Å
315	A	91.9	Very high	93.9	Very high	26 Å²	26	43.9 Å²	43.9	22%	0.215	26%	0.263	C	S	.	.			trans	-79	161.2	170.9	0	0	0	0	0	111.6	E312 P313 P317 A318	E312-A315 HydrophobicContact CB-CB 3.8Å; E312-A315 HydrophobicContact CG-CB 3.66Å; E312-A315 WeakPolarHBondContact O-CB 3.49Å; E312-A315 PolarHBondContact O-N 3.41Å; E312-A315 VanDerWaalsContact O-N 3.15Å; E312-A315 WeakPolarHBondContact OE2-CB 3.42Å; P313-A315 PolarHBondContact O-N 3.19Å; A315-P317 CarbonylContact O-C 3.48Å; A315-A318 WeakPolarHBondContact O-CA 3.32Å; A315-A318 PolarHBondContact O-N 2.85Å
316	N	89.3	Confident	93.4	Very high	163 Å²	163	47.1 Å²	47.1	87%	0.872	28%	0.277	S	S	*	.	S	Bend	trans	-134.6	110.1	176.2	-170	-9.4	0	0	0	110.8
317	P	92.7	Very high	92.8	Very high	95 Å²	95	52 Å²	52	62%	0.617	31%	0.305	S	S	*	.	S	Bend	cis	-70.6	148.3	-2.8	31.4	-35.4	0	0	0	112	A315 L319	A315-P317 CarbonylContact O-C 3.48Å; P317-L319 VanDerWaalsContact C-N 3.32Å
318	A	94.3	Very high	92.3	Very high	12 Å²	12	58.4 Å²	58.4	10%	0.099	34%	0.339	C	S	.	.			trans	-73.2	-23.7	177.5	0	0	0	0	0	113.2	L280 W311 E312 A315 L320	L280-A318 HydrophobicContact CD2-CB 3.52Å; W311-A318 CarbonylContact C-O 3.56Å; W311-A318 WeakPolarHBondContact CA-O 3.47Å; E312-A318 PolarHBondContact N-O 3.03Å; A315-A318 WeakPolarHBondContact O-CA 3.32Å; A315-A318 PolarHBondContact O-N 2.85Å; A318-L320 PolarHBondContact O-N 2.69Å
319	L	95.7	Very high	91.8	Very high	60 Å²	60	58.6 Å²	58.6	31%	0.314	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.9	176.7	-179.8	64.2	0	0	0	110.1	K309 W311 P317 A321	K309-L319 HydrophobicContact CB-CD1 3.79Å; K309-L319 HydrophobicContact CD-CD1 4.05Å; K309-L319 HydrophobicContact CG-CD1 3.99Å; W311-L319 HydrophobicContact CD2-CD1 4.11Å; W311-L319 HydrophobicContact CE3-CB 3.85Å; W311-L319 HydrophobicContact CE3-CD1 3.89Å; W311-L319 HydrophobicContact CE3-CG 4.48Å; W311-L319 HydrophobicContact CH2-CD1 3.98Å; W311-L319 HydrophobicContact CZ2-CD1 4.19Å; W311-L319 HydrophobicContact CZ3-CB 3.72Å; W311-L319 HydrophobicContact CZ3-CD1 3.83Å; W311-L319 HydrophobicContact CZ3-CG 4.27Å; P317-L319 VanDerWaalsContact C-N 3.32Å; L319-A321 WeakPolarHBondContact CD1-O 3.36Å
320	L	93.4	Very high	91.5	Very high	78 Å²	78	59.3 Å²	59.3	41%	0.408	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-48.5	178.5	-63.4	-178.3	0	0	0	112.3	L310 E312 A318	L310-L320 HydrophobicContact CD2-CB 4.42Å; L310-L320 HydrophobicContact CD2-CD1 4.24Å; L310-L320 HydrophobicContact CG-CB 4.42Å; L310-L320 HydrophobicContact CG-CD1 4.28Å; L310-L320 WeakPolarHBondContact O-CB 3.33Å; L310-L320 PolarHBondContact O-N 3.07Å; E312-L320 HydrophobicContact CB-CD1 3.84Å; E312-L320 HydrophobicContact CB-CD2 4.08Å; E312-L320 HydrophobicContact CB-CG 3.95Å; A318-L320 PolarHBondContact O-N 2.69Å
321	A	93.9	Very high	91.3	Very high	26 Å²	26	60.4 Å²	60.4	22%	0.215	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	154	-175.2	0	0	0	0	0	111.6	K309 L310 L319 Y323	K309-A321 WeakPolarHBondContact CA-O 3.15Å; L310-A321 HydrophobicContact CB-CB 4.27Å; L310-A321 PolarHBondContact N-O 2.86Å; L310-A321 PolarHBondContact O-N 2.78Å; L319-A321 WeakPolarHBondContact CD1-O 3.36Å; A321-Y323 HydrophobicContact CB-CE2 3.76Å
322	T	94.9	Very high	91.3	Very high	58 Å²	58	60.2 Å²	60.2	36%	0.356	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.2	171.4	-62.1	0	0	0	0	108.3	T307 L308 K309	T307-T322 HydrophobicContact CG2-CG2 4.03Å; L308-T322 CarbonylContact O-C 3.54Å; L308-T322 WeakPolarHBondContact O-CA 3.29Å; K309-T322 HydrophobicContact CG-CG2 4.12Å; K309-T322 PolarHBondContact NZ-OG1 2.97Å
323	Y	93.8	Very high	91.4	Very high	10 Å²	10	57.8 Å²	57.8	4%	0.039	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.5	177.2	-52.8	-110.1	0	0	0	106.9	T307 L308 L310 A321 Y357 L359 A362	T307-Y323 CarbonylContact C-O 3.52Å; T307-Y323 VanDerWaalsContact CA-O 3.26Å; T307-Y323 WeakPolarHBondContact CA-O 3.27Å; L308-Y323 HydrophobicContact CB-CD2 4.38Å; L308-Y323 PolarHBondContact N-O 2.92Å; L308-Y323 PolarHBondContact O-N 2.92Å; L310-Y323 HydrophobicContact CB-CE2 4.05Å; A321-Y323 HydrophobicContact CB-CE2 3.76Å; Y323-Y357 AromaticContact CD1-CD1 3.76Å; Y323-Y357 HydrophobicContact CD1-CD1 3.76Å; Y323-Y357 HydrophobicContact CD1-CE1 4.32Å; Y323-Y357 HydrophobicContact CD1-CG 4.34Å; Y323-Y357 HydrophobicContact CE1-CD1 4.38Å; Y323-L359 VanDerWaalsContact OH-CA 3.28Å; Y323-L359 WeakPolarHBondContact OH-CA 3.29Å; Y323-L359 PolarHBondContact OH-O 2.79Å; Y323-L359 VanDerWaalsContact OH-O 3.08Å; Y323-A362 HydrophobicContact CD1-CB 4.45Å; Y323-A362 HydrophobicContact CE1-CB 3.96Å
324	V	92.5	Very high	91.6	Very high	105 Å²	105	57.8 Å²	57.8	64%	0.636	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.4	-178.8	-175.2	0	0	0	0	107.9	T307	T307-V324 HydrophobicContact CG2-CG2 4.38Å
325	A	86.3	Confident	91.9	Very high	14 Å²	14	53.8 Å²	53.8	12%	0.116	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-61.9	152	173.4	0	0	0	0	0	110.8	G306 Y349	G306-A325 VanDerWaalsContact O-CB 3.27Å; G306-A325 WeakPolarHBondContact O-CB 3.22Å; G306-A325 PolarHBondContact O-N 3.43Å; A325-Y349 HydrophobicContact CB-CD1 4.09Å; A325-Y349 HydrophobicContact CB-CE1 3.47Å; A325-Y349 VanDerWaalsContact CB-CE1 3.47Å
326	E	87.1	Confident	92.2	Very high	110 Å²	110	54.4 Å²	54.4	51%	0.514	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-65.7	145.7	168	-64.3	-65.4	153.8	0	0	109.7	D328 D329	E326-D328 PolarHBondContact O-N 3.27Å; E326-D329 WeakPolarHBondContact CB-OD2 3.46Å; E326-D329 PolarHBondContact O-N 3.45Å; E326-D329 VanDerWaalsContact O-N 3.07Å
327	P	82	Confident	92.5	Very high	118 Å²	118	47.4 Å²	47.4	77%	0.766	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.6	-173.1	-26.4	34.4	0	0	0	114.9
328	D	85.1	Confident	92.5	Very high	152 Å²	152	43.4 Å²	43.4	81%	0.813	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-15.9	-176.3	-63.2	-30.5	0	0	0	113.4	E326	E326-D328 PolarHBondContact O-N 3.27Å
329	D	86.4	Confident	92.2	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.037	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-17.5	-173.8	-68.1	-35.8	0	0	0	112.9	E326 Y349 S351 Y355 R367	E326-D329 WeakPolarHBondContact CB-OD2 3.46Å; E326-D329 PolarHBondContact O-N 3.45Å; E326-D329 VanDerWaalsContact O-N 3.07Å; D329-Y349 HydrophobicContact CB-CD1 4.18Å; D329-Y349 HydrophobicContact CB-CG 4.15Å; D329-Y349 WeakPolarHBondContact O-CB 3.45Å; D329-S351 WeakPolarHBondContact CA-OG 2.92Å; D329-S351 WeakPolarHBondContact O-CB 3.44Å; D329-S351 PolarHBondContact O-N 2.97Å; D329-S351 VanDerWaalsContact O-N 3.16Å; D329-S351 PolarHBondContact O-OG 3.29Å; D329-Y355 PolarHBondContact OD1-OH 3.14Å; D329-Y355 WeakPolarHBondContact OD2-CE2 3.49Å; D329-Y355 PolarHBondContact OD2-OH 2.79Å; D329-R367 IonicContact OD1-NH2 3.52Å
330	G	89	Confident	91.5	Very high	34 Å²	34	45.4 Å²	45.4	35%	0.351	28%	0.275	S	S	.	.			trans	76.9	-155	-179.9	0	0	0	0	0	113.7
331	S	93.2	Very high	91.2	Very high	25 Å²	25	44.3 Å²	44.3	18%	0.175	27%	0.27	C	S	.	.	S	Bend	trans	-73.2	139	-178.9	174.8	0	0	0	0	111.3	A304 Y349 S350	A304-S331 VanDerWaalsContact CA-OG 3.31Å; A304-S331 WeakPolarHBondContact CA-OG 3.44Å; S331-Y349 WeakPolarHBondContact O-CA 3.38Å; S331-S350 PolarHBondContact N-OG 3.48Å; S331-S350 VanDerWaalsContact N-OG 3.09Å; S331-S350 PolarHBondContact O-N 2.9Å; S331-S350 PolarHBondContact O-OG 2.85Å
332	P	96.8	Very high	90.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	139	164.3	31.6	-36.4	0	0	0	109.8	A302 S303 L308 A348 Y349	A302-P332 HydrophobicContact CB-CB 3.96Å; A302-P332 HydrophobicContact CB-CG 4.21Å; S303-P332 WeakPolarHBondContact O-CD 3.34Å; S303-P332 WeakPolarHBondContact O-CG 3.31Å; L308-P332 HydrophobicContact CD2-CB 3.64Å; L308-P332 HydrophobicContact CD2-CG 4.03Å; P332-A348 CarbonylContact C-O 3.48Å; P332-A348 VanDerWaalsContact CA-O 3.25Å; P332-A348 WeakPolarHBondContact CA-O 3.26Å; P332-Y349 HydrophobicContact CB-CD1 4.01Å; P332-Y349 HydrophobicContact CB-CE1 3.73Å; P332-Y349 HydrophobicContact CG-CE1 4.43Å
333	T	97.1	Very high	90.7	Very high	28 Å²	28	47.5 Å²	47.5	17%	0.172	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-34.1	-175.4	52.1	0	0	0	0	111.9	A348 I401	T333-A348 PolarHBondContact N-O 3.24Å; T333-A348 PolarHBondContact OG1-O 3.45Å; T333-I401 WeakPolarHBondContact CB-O 3.46Å; T333-I401 PolarHBondContact OG1-O 3.02Å
334	S	98	Very high	90.7	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	147.9	-177.3	-170.2	0	0	0	0	111.6	A347 A348 I404	S334-A347 WeakPolarHBondContact O-CA 3.3Å; S334-A348 PolarHBondContact O-N 3.3Å; S334-I404 PolarHBondContact OG-N 2.95Å
335	V	97.7	Very high	90.8	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.03	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	144.5	179	67.6	0	0	0	0	109.8	S289 A291 I300 A302 V346 A347	S289-V335 PolarHBondContact OG-N 2.98Å; A291-V335 HydrophobicContact CB-CG1 4.37Å; I300-V335 HydrophobicContact CB-CG2 4.36Å; I300-V335 HydrophobicContact CD1-CG2 3.73Å; I300-V335 HydrophobicContact CG1-CG2 3.92Å; I300-V335 HydrophobicContact CG2-CB 4.39Å; I300-V335 HydrophobicContact CG2-CG1 3.9Å; I300-V335 HydrophobicContact CG2-CG2 3.56Å; A302-V335 HydrophobicContact CB-CB 4.19Å; A302-V335 HydrophobicContact CB-CG1 4.11Å; V335-V346 WeakPolarHBondContact CA-O 3.46Å; V335-V346 WeakPolarHBondContact CG2-O 3.36Å; V335-A347 HydrophobicContact CG2-CB 4.31Å
336	D	97.3	Very high	91.3	Very high	40 Å²	40	42.8 Å²	42.8	21%	0.214	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155.5	174.3	-164.8	16	0	0	0	111.1	A345 V346 I404 V405 C406	D336-A345 CarbonylContact O-C 3.59Å; D336-A345 WeakPolarHBondContact O-CA 3.46Å; D336-V346 PolarHBondContact N-O 2.84Å; D336-V346 PolarHBondContact O-N 3.01Å; D336-I404 HydrophobicContact CB-CD1 4.43Å; D336-I404 HydrophobicContact CB-CG1 4.23Å; D336-V405 WeakPolarHBondContact OD2-CA 3.07Å; D336-C406 PolarHBondContact OD2-N 2.83Å
337	F	95.8	Very high	91.8	Very high	16 Å²	16	37.6 Å²	37.6	7%	0.07	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	144	174.4	-71.5	-72.6	0	0	0	110.8	A291 H293 I300 L310 A345 L359 C406	A291-F337 HydrophobicContact CB-CD2 3.9Å; A291-F337 HydrophobicContact CB-CE2 4.13Å; A291-F337 VanDerWaalsContact O-CE2 3.32Å; A291-F337 WeakPolarHBondContact O-CE2 3.37Å; H293-F337 HydrophobicContact CB-CD2 4.14Å; H293-F337 HydrophobicContact CB-CE1 4.44Å; H293-F337 HydrophobicContact CB-CE2 3.86Å; H293-F337 HydrophobicContact CB-CZ 4.03Å; H293-F337 AromaticContact CD2-CD1 3.68Å; H293-F337 AromaticContact CD2-CE1 4Å; H293-F337 AromaticContact CD2-CG 3.86Å; H293-F337 VanDerWaalsContact N-CE2 3.3Å; I300-F337 HydrophobicContact CB-CE1 4.33Å; I300-F337 HydrophobicContact CB-CE2 4.24Å; I300-F337 HydrophobicContact CB-CZ 3.7Å; I300-F337 HydrophobicContact CG2-CD2 4.25Å; I300-F337 HydrophobicContact CG2-CE1 4.05Å; I300-F337 HydrophobicContact CG2-CE2 3.55Å; I300-F337 HydrophobicContact CG2-CZ 3.43Å; I300-F337 VanDerWaalsContact CG2-CZ 3.43Å; L310-F337 HydrophobicContact CD1-CZ 4.38Å; F337-A345 HydrophobicContact CD1-CB 3.92Å; F337-A345 HydrophobicContact CE1-CB 4.14Å; F337-L359 HydrophobicContact CD1-CD1 3.94Å; F337-L359 HydrophobicContact CE1-CD1 3.55Å; F337-C406 WeakPolarHBondContact O-CB 3.37Å
338	M	92.9	Very high	92.5	Very high	11 Å²	11	32 Å²	32	5%	0.054	19%	0.186	C	C	.	.			trans	-80.9	126.8	172.2	-65.5	-170.5	-9.6	0	0	109.7	S340 D341 H344 V346 I356 N427	M338-S340 VanDerWaalsContact C-N 3.34Å; M338-D341 HydrophobicContact CE-CB 3.96Å; M338-D341 CarbonylContact O-C 3.52Å; M338-H344 HydrophobicContact CB-CB 4.43Å; M338-H344 HydrophobicContact CE-CB 3.51Å; M338-H344 HydrophobicContact CG-CB 4.41Å; M338-H344 PolarHBondContact N-O 3.36Å; M338-H344 VanDerWaalsContact N-O 3.11Å; M338-H344 HydrophobicContact SD-CB 4.11Å; M338-V346 HydrophobicContact CG-CG2 3.55Å; M338-V346 HydrophobicContact SD-CG2 3.79Å; M338-I356 HydrophobicContact SD-CD1 3.89Å; M338-I356 HydrophobicContact SD-CG1 4.19Å; M338-I356 HydrophobicContact SD-CG2 4.05Å; M338-N427 HydrophobicContact SD-CB 4.1Å
339	S	86.7	Confident	92.9	Very high	52 Å²	52	24.8 Å²	24.8	36%	0.364	15%	0.148	S	C	.	.	S	Bend	trans	-76.6	-23.3	175.6	59.4	0	0	0	0	113.4	H407 P408	S339-H407 PolarHBondContact OG-O 2.92Å; S339-P408 WeakPolarHBondContact CB-O 3.17Å; S339-P408 WeakPolarHBondContact OG-CA 3.45Å; S339-P408 PolarHBondContact OG-O 2.92Å
340	S	82.3	Confident	93.2	Very high	61 Å²	61	26.6 Å²	26.6	43%	0.427	16%	0.161	S	C	.	.	S	Bend	trans	-75.3	-25.8	177	49.1	0	0	0	0	113.1	M338	M338-S340 VanDerWaalsContact C-N 3.34Å
341	D	86.7	Confident	93.3	Very high	55 Å²	55	26 Å²	26	29%	0.294	15%	0.152	S	C	.	.			trans	-146.3	110.9	175.1	-168.8	-24.4	0	0	0	110.6	M338 H343 H344	M338-D341 HydrophobicContact CE-CB 3.96Å; M338-D341 CarbonylContact O-C 3.52Å; D341-H343 PolarHBondContact O-N 3.33Å; D341-H343 IonicContact OD1-CD2 4Å; D341-H343 IonicContact OD1-CG 4Å; D341-H343 PolarHBondContact OD1-N 2.98Å; D341-H344 HydrophobicContact CB-CB 4.39Å; D341-H344 PolarHBondContact O-N 2.89Å; D341-H344 VanDerWaalsContact O-N 3.14Å; D341-H344 IonicContact OD1-ND1 2.77Å; D341-H344 IonicContact OD2-CE1 3.05Å; D341-H344 PolarHBondContact OD2-CE1 2.88Å; D341-H344 IonicContact OD2-ND1 3.63Å; D341-H344 PolarHBondContact OD2-ND1 2.8Å
342	L	86.4	Confident	93.1	Very high	68 Å²	68	25 Å²	25	36%	0.356	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.9	-174.3	-60.6	178.1	0	0	0	113.2	H293 H344	H293-L342 WeakPolarHBondContact NE2-CB 3.33Å; H293-L342 PolarHBondContact NE2-O 3.16Å; L342-H344 VanDerWaalsContact C-N 3.29Å
343	H	91	Very high	92.8	Very high	84 Å²	84	25.2 Å²	25.2	39%	0.389	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.3	177.4	-57.6	-73.9	0	0	0	112.7	D341 L359 E360	D341-H343 PolarHBondContact O-N 3.33Å; D341-H343 IonicContact OD1-CD2 4Å; D341-H343 IonicContact OD1-CG 4Å; D341-H343 PolarHBondContact OD1-N 2.98Å; H343-L359 WeakPolarHBondContact O-CB 3.45Å; H343-L359 WeakPolarHBondContact O-CG 3.49Å; H343-L359 PolarHBondContact O-N 3.25Å; H343-E360 HydrophobicContact CB-CG 4.47Å; H343-E360 IonicContact CE1-OE1 3.91Å; H343-E360 PolarHBondContact CE1-OE1 3Å; H343-E360 IonicContact ND1-OE1 3.49Å; H343-E360 PolarHBondContact ND1-OE1 3.32Å
344	H	93.9	Very high	92.7	Very high	29 Å²	29	24 Å²	24	13%	0.134	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.5	-176.5	-70.2	122.2	0	0	0	112.2	M338 D341 L342 I356 Y357	M338-H344 HydrophobicContact CB-CB 4.43Å; M338-H344 HydrophobicContact CE-CB 3.51Å; M338-H344 HydrophobicContact CG-CB 4.41Å; M338-H344 PolarHBondContact N-O 3.36Å; M338-H344 VanDerWaalsContact N-O 3.11Å; M338-H344 HydrophobicContact SD-CB 4.11Å; D341-H344 HydrophobicContact CB-CB 4.39Å; D341-H344 PolarHBondContact O-N 2.89Å; D341-H344 VanDerWaalsContact O-N 3.14Å; D341-H344 IonicContact OD1-ND1 2.77Å; D341-H344 IonicContact OD2-CE1 3.05Å; D341-H344 PolarHBondContact OD2-CE1 2.88Å; D341-H344 IonicContact OD2-ND1 3.63Å; D341-H344 PolarHBondContact OD2-ND1 2.8Å; L342-H344 VanDerWaalsContact C-N 3.29Å; H344-I356 HydrophobicContact CB-CG2 3.89Å; H344-Y357 VanDerWaalsContact CA-O 3.27Å; H344-Y357 WeakPolarHBondContact CA-O 2.98Å
345	A	95.5	Very high	92.5	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146.1	169.1	0	0	0	0	0	109.8	I300 D336 F337 I356 Y357 L359	I300-A345 HydrophobicContact CD1-CB 3.93Å; D336-A345 CarbonylContact O-C 3.59Å; D336-A345 WeakPolarHBondContact O-CA 3.46Å; F337-A345 HydrophobicContact CD1-CB 3.92Å; F337-A345 HydrophobicContact CE1-CB 4.14Å; A345-I356 CarbonylContact O-C 3.53Å; A345-I356 WeakPolarHBondContact O-CA 3.29Å; A345-Y357 PolarHBondContact N-O 3.21Å; A345-Y357 PolarHBondContact O-N 3.39Å; A345-L359 HydrophobicContact CB-CD1 4.26Å; A345-L359 HydrophobicContact CB-CD2 3.87Å; A345-L359 HydrophobicContact CB-CG 4.26Å
346	V	96.6	Very high	92.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	138.2	172.9	-166.2	0	0	0	0	108.4	V335 D336 M338 Y355 I356 F368 I404 C406 T413	V335-V346 WeakPolarHBondContact CA-O 3.46Å; V335-V346 WeakPolarHBondContact CG2-O 3.36Å; D336-V346 PolarHBondContact N-O 2.84Å; D336-V346 PolarHBondContact O-N 3.01Å; M338-V346 HydrophobicContact CG-CG2 3.55Å; M338-V346 HydrophobicContact SD-CG2 3.79Å; V346-Y355 CarbonylContact C-O 3.57Å; V346-Y355 VanDerWaalsContact CA-O 3.29Å; V346-Y355 WeakPolarHBondContact CA-O 3.43Å; V346-Y355 WeakPolarHBondContact CG1-O 3.31Å; V346-I356 HydrophobicContact CG2-CG1 4.09Å; V346-F368 HydrophobicContact CG1-CD2 4.49Å; V346-F368 HydrophobicContact CG1-CE2 3.83Å; V346-I404 HydrophobicContact CB-CD1 3.81Å; V346-I404 HydrophobicContact CG1-CD1 3.76Å; V346-I404 VanDerWaalsContact O-CD1 3.26Å; V346-I404 WeakPolarHBondContact O-CD1 3.44Å; V346-C406 VanDerWaalsContact CG2-SG 3.58Å; V346-T413 HydrophobicContact CG1-CG2 4.22Å
347	A	97.2	Very high	92.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.8	171.5	0	0	0	0	0	110.7	L308 S334 V335 Y349 A354 Y355 Y357	L308-A347 HydrophobicContact CD1-CB 3.35Å; L308-A347 HydrophobicContact CD2-CB 3.98Å; L308-A347 HydrophobicContact CG-CB 4.28Å; S334-A347 WeakPolarHBondContact O-CA 3.3Å; V335-A347 HydrophobicContact CG2-CB 4.31Å; A347-Y349 HydrophobicContact CB-CE2 4.06Å; A347-A354 CarbonylContact O-C 3.37Å; A347-A354 WeakPolarHBondContact O-CA 3.48Å; A347-A354 WeakPolarHBondContact O-CB 3.3Å; A347-Y355 PolarHBondContact N-O 2.87Å; A347-Y355 PolarHBondContact O-N 2.87Å; A347-Y357 HydrophobicContact CB-CD2 4.24Å; A347-Y357 HydrophobicContact CB-CE2 4.01Å
348	A	96.4	Very high	92.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	156.5	177.6	0	0	0	0	0	111.7	P332 T333 S334 A354 I401 I404	P332-A348 CarbonylContact C-O 3.48Å; P332-A348 VanDerWaalsContact CA-O 3.25Å; P332-A348 WeakPolarHBondContact CA-O 3.26Å; T333-A348 PolarHBondContact N-O 3.24Å; T333-A348 PolarHBondContact OG1-O 3.45Å; S334-A348 PolarHBondContact O-N 3.3Å; A348-A354 HydrophobicContact CB-CB 4.06Å; A348-I401 HydrophobicContact CB-CB 3.8Å; A348-I401 HydrophobicContact CB-CD1 3.8Å; A348-I401 HydrophobicContact CB-CG1 4.41Å; A348-I401 HydrophobicContact CB-CG2 3.47Å; A348-I401 VanDerWaalsContact CB-CG2 3.47Å; A348-I404 HydrophobicContact CB-CD1 4.34Å; A348-I404 HydrophobicContact CB-CG2 3.4Å; A348-I404 VanDerWaalsContact CB-CG2 3.4Å
349	Y	94.9	Very high	92.1	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	157.1	-169.7	-63.3	-94.2	0	0	0	111.9	A325 D329 S331 P332 A347 S351 G352 V353 Y355 Y357	A325-Y349 HydrophobicContact CB-CD1 4.09Å; A325-Y349 HydrophobicContact CB-CE1 3.47Å; A325-Y349 VanDerWaalsContact CB-CE1 3.47Å; D329-Y349 HydrophobicContact CB-CD1 4.18Å; D329-Y349 HydrophobicContact CB-CG 4.15Å; D329-Y349 WeakPolarHBondContact O-CB 3.45Å; S331-Y349 WeakPolarHBondContact O-CA 3.38Å; P332-Y349 HydrophobicContact CB-CD1 4.01Å; P332-Y349 HydrophobicContact CB-CE1 3.73Å; P332-Y349 HydrophobicContact CG-CE1 4.43Å; A347-Y349 HydrophobicContact CB-CE2 4.06Å; Y349-S351 PolarHBondContact O-N 3.2Å; Y349-G352 PolarHBondContact O-N 3.23Å; Y349-V353 PolarHBondContact N-O 3.35Å; Y349-Y355 AromaticContact CD2-CD2 3.86Å; Y349-Y355 HydrophobicContact CD2-CD2 3.86Å; Y349-Y355 HydrophobicContact CD2-CE2 4.18Å; Y349-Y355 AromaticContact CE2-CD2 3.53Å; Y349-Y355 HydrophobicContact CE2-CD2 3.53Å; Y349-Y355 HydrophobicContact CE2-CE2 4.15Å; Y349-Y357 HydrophobicContact CE2-CE2 4.43Å; Y349-Y357 WeakPolarHBondContact OH-CE2 3.36Å; Y349-Y357 PolarHBondContact OH-OH 2.8Å
350	S	92.4	Very high	92.1	Very high	45 Å²	45	27 Å²	27	32%	0.315	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.6	178	56.9	0	0	0	0	114.5	S331 G352 P400	S331-S350 PolarHBondContact N-OG 3.48Å; S331-S350 VanDerWaalsContact N-OG 3.09Å; S331-S350 PolarHBondContact O-N 2.9Å; S331-S350 PolarHBondContact O-OG 2.85Å; S350-G352 PolarHBondContact O-N 3.47Å; S350-P400 WeakPolarHBondContact O-CA 3.5Å; S350-P400 WeakPolarHBondContact O-CB 3.37Å; S350-P400 WeakPolarHBondContact O-CG 3.5Å
351	S	89.8	Confident	92.4	Very high	23 Å²	23	29.8 Å²	29.8	16%	0.161	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-11.4	172.3	54.6	0	0	0	0	114.7	D329 Y349 V353	D329-S351 WeakPolarHBondContact CA-OG 2.92Å; D329-S351 WeakPolarHBondContact O-CB 3.44Å; D329-S351 PolarHBondContact O-N 2.97Å; D329-S351 VanDerWaalsContact O-N 3.16Å; D329-S351 PolarHBondContact O-OG 3.29Å; Y349-S351 PolarHBondContact O-N 3.2Å; S351-V353 WeakPolarHBondContact OG-CG2 3.33Å
352	G	89.1	Confident	92.3	Very high	3 Å²	3	30 Å²	30	3%	0.031	16%	0.161	C	C	.	.	S	Bend	trans	88.7	4.4	-172.6	0	0	0	0	0	114.4	Y349 S350 S399 I401	Y349-G352 PolarHBondContact O-N 3.23Å; S350-G352 PolarHBondContact O-N 3.47Å; G352-S399 WeakPolarHBondContact CA-O 3.36Å; G352-I401 WeakPolarHBondContact O-CD1 3.14Å
353	V	91.7	Very high	92.3	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.03	17%	0.17	C	C	.	.			trans	-89.7	149	174.4	-174.4	0	0	0	0	109.6	Y349 S351 Y355 R367 P370	Y349-V353 PolarHBondContact N-O 3.35Å; S351-V353 WeakPolarHBondContact OG-CG2 3.33Å; V353-Y355 HydrophobicContact CB-CE2 4.29Å; V353-Y355 HydrophobicContact CG1-CD2 4.03Å; V353-Y355 HydrophobicContact CG1-CE1 4.39Å; V353-Y355 HydrophobicContact CG1-CE2 3.39Å; V353-R367 HydrophobicContact CG1-CG 3.85Å; V353-P370 HydrophobicContact CG2-CG 4.42Å
354	A	94.4	Very high	92.3	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.017	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	155.1	165.7	0	0	0	0	0	111	A347 A348 F368 I401	A347-A354 CarbonylContact O-C 3.37Å; A347-A354 WeakPolarHBondContact O-CA 3.48Å; A347-A354 WeakPolarHBondContact O-CB 3.3Å; A348-A354 HydrophobicContact CB-CB 4.06Å; A354-F368 HydrophobicContact CB-CB 4.19Å; A354-F368 HydrophobicContact CB-CD2 3.73Å; A354-F368 HydrophobicContact CB-CG 4.39Å; A354-F368 PolarHBondContact N-O 3.31Å; A354-F368 PolarHBondContact O-N 2.79Å; A354-I401 HydrophobicContact CB-CD1 3.99Å
355	Y	94.7	Very high	92.1	Very high	15 Å²	15	34.3 Å²	34.3	6%	0.059	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.1	-179.3	-65.4	-89.8	0	0	0	110.9	D329 V346 A347 Y349 V353 Y357 T364 L366 R367	D329-Y355 PolarHBondContact OD1-OH 3.14Å; D329-Y355 WeakPolarHBondContact OD2-CE2 3.49Å; D329-Y355 PolarHBondContact OD2-OH 2.79Å; V346-Y355 CarbonylContact C-O 3.57Å; V346-Y355 VanDerWaalsContact CA-O 3.29Å; V346-Y355 WeakPolarHBondContact CA-O 3.43Å; V346-Y355 WeakPolarHBondContact CG1-O 3.31Å; A347-Y355 PolarHBondContact N-O 2.87Å; A347-Y355 PolarHBondContact O-N 2.87Å; Y349-Y355 AromaticContact CD2-CD2 3.86Å; Y349-Y355 HydrophobicContact CD2-CD2 3.86Å; Y349-Y355 HydrophobicContact CD2-CE2 4.18Å; Y349-Y355 AromaticContact CE2-CD2 3.53Å; Y349-Y355 HydrophobicContact CE2-CD2 3.53Å; Y349-Y355 HydrophobicContact CE2-CE2 4.15Å; V353-Y355 HydrophobicContact CB-CE2 4.29Å; V353-Y355 HydrophobicContact CG1-CD2 4.03Å; V353-Y355 HydrophobicContact CG1-CE1 4.39Å; V353-Y355 HydrophobicContact CG1-CE2 3.39Å; Y355-Y357 HydrophobicContact CG-CE2 4.42Å; Y355-T364 HydrophobicContact CD1-CG2 3.94Å; Y355-T364 HydrophobicContact CG-CG2 4.3Å; Y355-L366 WeakPolarHBondContact CA-O 3.47Å; Y355-R367 HydrophobicContact CD1-CB 3.76Å; Y355-R367 HydrophobicContact CD1-CG 3.85Å; Y355-R367 HydrophobicContact CE1-CB 3.67Å; Y355-R367 HydrophobicContact CE1-CG 3.41Å; Y355-R367 VanDerWaalsContact CE1-CG 3.41Å; Y355-R367 PolarHBondContact OH-NE 3.28Å
356	I	95.5	Very high	91.9	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.8	162.1	-59.8	174.8	0	0	0	107.3	M338 H344 A345 V346 V365 L366 F368 N427	M338-I356 HydrophobicContact SD-CD1 3.89Å; M338-I356 HydrophobicContact SD-CG1 4.19Å; M338-I356 HydrophobicContact SD-CG2 4.05Å; H344-I356 HydrophobicContact CB-CG2 3.89Å; A345-I356 CarbonylContact O-C 3.53Å; A345-I356 WeakPolarHBondContact O-CA 3.29Å; V346-I356 HydrophobicContact CG2-CG1 4.09Å; I356-V365 HydrophobicContact CG2-CB 4.3Å; I356-V365 PolarHBondContact O-N 3.37Å; I356-L366 HydrophobicContact CB-CB 4.25Å; I356-L366 HydrophobicContact CD1-CB 4.07Å; I356-L366 HydrophobicContact CD1-CD1 4.02Å; I356-L366 HydrophobicContact CG1-CB 4.36Å; I356-L366 PolarHBondContact N-O 3.44Å; I356-F368 HydrophobicContact CD1-CE1 3.88Å; I356-F368 HydrophobicContact CD1-CZ 3.59Å; I356-F368 HydrophobicContact CG1-CE1 4.24Å; I356-F368 HydrophobicContact CG1-CE2 4.38Å; I356-F368 HydrophobicContact CG1-CZ 3.76Å; I356-N427 HydrophobicContact CD1-CB 3.9Å; I356-N427 WeakPolarHBondContact CD1-O 3.44Å
357	Y	94.4	Very high	91.7	Very high	13 Å²	13	42.8 Å²	42.8	5%	0.051	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.6	176.3	-72.4	-85.7	0	0	0	110.5	L308 Y323 H344 A345 A347 Y349 Y355 K363 T364	L308-Y357 HydrophobicContact CD1-CD2 3.97Å; L308-Y357 HydrophobicContact CD1-CE2 3.73Å; Y323-Y357 AromaticContact CD1-CD1 3.76Å; Y323-Y357 HydrophobicContact CD1-CD1 3.76Å; Y323-Y357 HydrophobicContact CD1-CE1 4.32Å; Y323-Y357 HydrophobicContact CD1-CG 4.34Å; Y323-Y357 HydrophobicContact CE1-CD1 4.38Å; H344-Y357 VanDerWaalsContact CA-O 3.27Å; H344-Y357 WeakPolarHBondContact CA-O 2.98Å; A345-Y357 PolarHBondContact N-O 3.21Å; A345-Y357 PolarHBondContact O-N 3.39Å; A347-Y357 HydrophobicContact CB-CD2 4.24Å; A347-Y357 HydrophobicContact CB-CE2 4.01Å; Y349-Y357 HydrophobicContact CE2-CE2 4.43Å; Y349-Y357 WeakPolarHBondContact OH-CE2 3.36Å; Y349-Y357 PolarHBondContact OH-OH 2.8Å; Y355-Y357 HydrophobicContact CG-CE2 4.42Å; Y357-K363 WeakPolarHBondContact CA-O 3.41Å; Y357-T364 HydrophobicContact CD1-CG2 3.89Å; Y357-T364 HydrophobicContact CE1-CG2 3.33Å
358	D	93.1	Very high	91.3	Very high	18 Å²	18	42.9 Å²	42.9	10%	0.096	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	117.3	163.9	178.3	-22.2	0	0	0	108.2	E360 Q361 A362 K363 V365	D358-E360 VanDerWaalsContact C-N 3.32Å; D358-E360 WeakPolarHBondContact OD1-CA 3.27Å; D358-E360 WeakPolarHBondContact OD1-CB 3.47Å; D358-E360 PolarHBondContact OD1-N 2.69Å; D358-Q361 HydrophobicContact CB-CB 4.31Å; D358-Q361 PolarHBondContact OD1-N 3.27Å; D358-Q361 WeakPolarHBondContact OD2-CG 3.32Å; D358-Q361 PolarHBondContact OD2-NE2 2.64Å; D358-A362 WeakPolarHBondContact O-CA 3.41Å; D358-A362 PolarHBondContact O-N 3.18Å; D358-K363 PolarHBondContact N-O 2.92Å; D358-K363 PolarHBondContact O-N 3.43Å; D358-V365 HydrophobicContact CB-CG2 3.56Å
359	L	90.4	Very high	90.4	Very high	12 Å²	12	46 Å²	46	6%	0.063	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-20.2	-175.1	-62.5	170.3	0	0	0	113.5	I300 L310 Y323 F337 H343 A345	I300-L359 HydrophobicContact CD1-CD2 4.18Å; L310-L359 HydrophobicContact CD1-CD2 4.37Å; L310-L359 HydrophobicContact CD2-CD2 4.45Å; Y323-L359 VanDerWaalsContact OH-CA 3.28Å; Y323-L359 WeakPolarHBondContact OH-CA 3.29Å; Y323-L359 PolarHBondContact OH-O 2.79Å; Y323-L359 VanDerWaalsContact OH-O 3.08Å; F337-L359 HydrophobicContact CD1-CD1 3.94Å; F337-L359 HydrophobicContact CE1-CD1 3.55Å; H343-L359 WeakPolarHBondContact O-CB 3.45Å; H343-L359 WeakPolarHBondContact O-CG 3.49Å; H343-L359 PolarHBondContact O-N 3.25Å; A345-L359 HydrophobicContact CB-CD1 4.26Å; A345-L359 HydrophobicContact CB-CD2 3.87Å; A345-L359 HydrophobicContact CB-CG 4.26Å
360	E	87.9	Confident	89.5	Confident	130 Å²	130	47.1 Å²	47.1	61%	0.607	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-42	177.3	-60	-164.1	154.4	0	0	111.1	H343 D358	H343-E360 HydrophobicContact CB-CG 4.47Å; H343-E360 IonicContact CE1-OE1 3.91Å; H343-E360 PolarHBondContact CE1-OE1 3Å; H343-E360 IonicContact ND1-OE1 3.49Å; H343-E360 PolarHBondContact ND1-OE1 3.32Å; D358-E360 VanDerWaalsContact C-N 3.32Å; D358-E360 WeakPolarHBondContact OD1-CA 3.27Å; D358-E360 WeakPolarHBondContact OD1-CB 3.47Å; D358-E360 PolarHBondContact OD1-N 2.69Å
361	Q	87.8	Confident	88.2	Confident	119 Å²	119	46.2 Å²	46.2	56%	0.556	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.2	-176.5	-62.3	-173.6	29.1	0	0	114	D358 K363	D358-Q361 HydrophobicContact CB-CB 4.31Å; D358-Q361 PolarHBondContact OD1-N 3.27Å; D358-Q361 WeakPolarHBondContact OD2-CG 3.32Å; D358-Q361 PolarHBondContact OD2-NE2 2.64Å; Q361-K363 VanDerWaalsContact C-N 3.3Å; Q361-K363 HydrophobicContact CB-CB 4.45Å; Q361-K363 HydrophobicContact CB-CD 4.35Å; Q361-K363 HydrophobicContact CB-CG 4.43Å; Q361-K363 PolarHBondContact O-N 2.65Å
362	A	84.3	Confident	86.4	Confident	58 Å²	58	48.6 Å²	48.6	48%	0.479	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	41.6	-174.1	0	0	0	0	0	113.5	Y323 D358	Y323-A362 HydrophobicContact CD1-CB 4.45Å; Y323-A362 HydrophobicContact CE1-CB 3.96Å; D358-A362 WeakPolarHBondContact O-CA 3.41Å; D358-A362 PolarHBondContact O-N 3.18Å
363	K	88.3	Confident	84	Confident	128 Å²	128	52.3 Å²	52.3	56%	0.557	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.7	-176.1	-72.7	176.5	-172.5	171.1	0	111.9	Y357 D358 Q361	Y357-K363 WeakPolarHBondContact CA-O 3.41Å; D358-K363 PolarHBondContact N-O 2.92Å; D358-K363 PolarHBondContact O-N 3.43Å; Q361-K363 VanDerWaalsContact C-N 3.3Å; Q361-K363 HydrophobicContact CB-CB 4.45Å; Q361-K363 HydrophobicContact CB-CD 4.35Å; Q361-K363 HydrophobicContact CB-CG 4.43Å; Q361-K363 PolarHBondContact O-N 2.65Å
364	T	89.7	Confident	81.1	Confident	72 Å²	72	58.2 Å²	58.2	44%	0.442	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	129.9	168.3	51.5	0	0	0	0	109.1	Y355 Y357	Y355-T364 HydrophobicContact CD1-CG2 3.94Å; Y355-T364 HydrophobicContact CG-CG2 4.3Å; Y357-T364 HydrophobicContact CD1-CG2 3.89Å; Y357-T364 HydrophobicContact CE1-CG2 3.33Å
365	V	90.1	Very high	78.2	Confident	72 Å²	72	61.2 Å²	61.2	44%	0.436	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-49.3	-179.8	-177.2	0	0	0	0	109.7	I356 D358	I356-V365 HydrophobicContact CG2-CB 4.3Å; I356-V365 PolarHBondContact O-N 3.37Å; D358-V365 HydrophobicContact CB-CG2 3.56Å
366	L	91.9	Very high	75.1	Confident	49 Å²	49	63.9 Å²	63.9	26%	0.257	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	153	-179.6	-72.8	169.4	0	0	0	110.2	Y355 I356 N427	Y355-L366 WeakPolarHBondContact CA-O 3.47Å; I356-L366 HydrophobicContact CB-CB 4.25Å; I356-L366 HydrophobicContact CD1-CB 4.07Å; I356-L366 HydrophobicContact CD1-CD1 4.02Å; I356-L366 HydrophobicContact CG1-CB 4.36Å; I356-L366 PolarHBondContact N-O 3.44Å; L366-N427 WeakPolarHBondContact CD1-O 3.2Å
367	R	91	Very high	72.1	Confident	130 Å²	130	74 Å²	74	49%	0.491	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.1	175.1	-178.8	-179.4	-172	178.4	9.5	108.5	D329 V353 Y355 P369	D329-R367 IonicContact OD1-NH2 3.52Å; V353-R367 HydrophobicContact CG1-CG 3.85Å; Y355-R367 HydrophobicContact CD1-CB 3.76Å; Y355-R367 HydrophobicContact CD1-CG 3.85Å; Y355-R367 HydrophobicContact CE1-CB 3.67Å; Y355-R367 HydrophobicContact CE1-CG 3.41Å; Y355-R367 VanDerWaalsContact CE1-CG 3.41Å; Y355-R367 PolarHBondContact OH-NE 3.28Å; R367-P369 WeakPolarHBondContact O-CD 3.4Å
368	F	88.8	Confident	69.2	Low	2 Å²	2	81.2 Å²	81.2	1%	0.009	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	108.9	167.5	-56.1	-26.4	0	0	0	107.8	V346 A354 I356 T413 F425 N427	V346-F368 HydrophobicContact CG1-CD2 4.49Å; V346-F368 HydrophobicContact CG1-CE2 3.83Å; A354-F368 HydrophobicContact CB-CB 4.19Å; A354-F368 HydrophobicContact CB-CD2 3.73Å; A354-F368 HydrophobicContact CB-CG 4.39Å; A354-F368 PolarHBondContact N-O 3.31Å; A354-F368 PolarHBondContact O-N 2.79Å; I356-F368 HydrophobicContact CD1-CE1 3.88Å; I356-F368 HydrophobicContact CD1-CZ 3.59Å; I356-F368 HydrophobicContact CG1-CE1 4.24Å; I356-F368 HydrophobicContact CG1-CE2 4.38Å; I356-F368 HydrophobicContact CG1-CZ 3.76Å; F368-T413 HydrophobicContact CE2-CG2 4.18Å; F368-F425 HydrophobicContact CB-CD1 3.89Å; F368-F425 HydrophobicContact CB-CE1 3.93Å; F368-F425 HydrophobicContact CB-CG 4.27Å; F368-F425 HydrophobicContact CB-CZ 4.35Å; F368-F425 HydrophobicContact CD1-CB 4.21Å; F368-F425 HydrophobicContact CD1-CD1 4.24Å; F368-F425 HydrophobicContact CD1-CG 4.38Å; F368-F425 HydrophobicContact CD2-CB 4.18Å; F368-F425 HydrophobicContact CD2-CD2 4.38Å; F368-F425 HydrophobicContact CD2-CG 4.13Å; F368-F425 HydrophobicContact CE1-CB 4.21Å; F368-F425 HydrophobicContact CE2-CB 4.18Å; F368-F425 HydrophobicContact CG-CB 4.21Å; F368-F425 AromaticContact CG-CD1 3.99Å; F368-F425 HydrophobicContact CG-CD1 3.99Å; F368-F425 HydrophobicContact CG-CG 4.01Å; F368-F425 HydrophobicContact CZ-CB 4.18Å; F368-N427 WeakPolarHBondContact CZ-OD1 3.42Å
369	P	78.2	Confident	66.1	Low	67 Å²	67	88.7 Å²	88.7	44%	0.435	50%	0.503	S	S	.	.			trans	-67.7	149.1	179.1	29.3	-33.3	0	0	0	109.6	R367	R367-P369 WeakPolarHBondContact O-CD 3.4Å
370	P	75.9	Confident	63.3	Low	23 Å²	23	96.2 Å²	96.2	15%	0.149	54%	0.535	C	S	.	.			trans	-67.2	161.5	170	36.4	-35.9	0	0	0	107.9	V353 S372 S397	V353-P370 HydrophobicContact CG2-CG 4.42Å; P370-S372 PolarHBondContact O-N 3.33Å; P370-S397 WeakPolarHBondContact CB-O 3.31Å; P370-S397 WeakPolarHBondContact CG-O 3.2Å
371	A	66.5	Low	60.6	Low	27 Å²	27	94.8 Å²	94.8	22%	0.223	54%	0.54	C	S	.	.			trans	-65.9	77.3	-175.2	0	0	0	0	0	112.2	C373 S397	A371-C373 PolarHBondContact O-N 3.39Å; A371-S397 WeakPolarHBondContact O-CA 3.26Å; A371-S397 WeakPolarHBondContact O-CB 3.46Å
372	S	50	Low	58.1	Low	73 Å²	73	95.4 Å²	95.4	51%	0.51	55%	0.546	S	S	.	.			trans	-76.4	125.5	179	82.1	0	0	0	0	109.8	P370 T374	P370-S372 PolarHBondContact O-N 3.33Å; S372-T374 PolarHBondContact O-N 2.68Å
373	C	40.1	Very low	55.7	Low	80 Å²	80	99.1 Å²	99.1	54%	0.541	56%	0.558	S	S	.	*	S	Bend	trans	-76.5	5	172	45	0	0	0	0	113.6	A371	A371-C373 PolarHBondContact O-N 3.39Å
374	T	30.6	Very low	53.4	Low	130 Å²	130	97.9 Å²	97.9	80%	0.798	56%	0.561	S	S	*	*			trans	-112.4	63.9	-174.5	37.4	0	0	0	0	111.8	S372	S372-T374 PolarHBondContact O-N 2.68Å
375	G	33.9	Very low	51	Low	65 Å²	65	96.5 Å²	96.5	67%	0.67	55%	0.553	S	S	*	*	S	Bend	trans	-148.9	69.2	176.3	0	0	0	0	0	112.8
376	G	29.2	Very low	48.7	Very low	70 Å²	70	100.9 Å²	100.9	72%	0.722	57%	0.573	S	S	*	*			trans	56.6	123	153.6	0	0	0	0	0	118.9	L378	G376-L378 PolarHBondContact O-N 3.08Å
377	F	32.9	Very low	46.1	Very low	216 Å²	216	106.9 Å²	106.9	95%	0.947	60%	0.602	S	S	*	*	S	Bend	trans	-44	14.3	170	-99.9	-94.9	0	0	0	119.5
378	L	33.2	Very low	43.6	Very low	164 Å²	164	101.5 Å²	101.5	86%	0.859	58%	0.584	S	S	*	*			trans	-144.1	70.7	-171.5	-60.3	172.8	0	0	0	112.3	G376	G376-L378 PolarHBondContact O-N 3.08Å
379	H	28.2	Very low	41.3	Very low	176 Å²	176	105.1 Å²	105.1	82%	0.815	61%	0.61	S	S	*	*			trans	-153.2	127	138.2	-153.8	-124	0	0	0	111.3	S381	H379-S381 PolarHBondContact O-N 2.96Å
380	F	31.5	Very low	39.8	Very low	169 Å²	169	110.1 Å²	110.1	74%	0.741	63%	0.627	S	S	*	*			trans	-73.6	102.1	-169.2	-171.4	-98.8	0	0	0	110.3	I382	F380-I382 HydrophobicContact CE2-CD1 4.14Å; F380-I382 HydrophobicContact CZ-CD1 4.36Å
381	S	30.7	Very low	38.2	Very low	101 Å²	101	117.1 Å²	117.1	71%	0.706	66%	0.658	S	S	*	*			trans	-152.5	93.3	153.8	-75.3	0	0	0	0	107.7	H379 N383	H379-S381 PolarHBondContact O-N 2.96Å; S381-N383 VanDerWaalsContact C-N 3.3Å; S381-N383 PolarHBondContact O-N 3.29Å
382	I	35.1	Very low	37	Very low	131 Å²	131	118 Å²	118	67%	0.672	66%	0.657	S	S	*	*			trans	-66.6	90.1	174.5	-65.5	161.5	0	0	0	106.7	F380	F380-I382 HydrophobicContact CE2-CD1 4.14Å; F380-I382 HydrophobicContact CZ-CD1 4.36Å
383	N	34.6	Very low	36.6	Very low	137 Å²	137	117.1 Å²	117.1	73%	0.733	65%	0.646	S	S	*	*			trans	-169.6	35.2	151.5	-85.1	-33.9	0	0	0	109.9	S381 C385	S381-N383 VanDerWaalsContact C-N 3.3Å; S381-N383 PolarHBondContact O-N 3.29Å; N383-C385 PolarHBondContact O-N 2.77Å
384	V	39.6	Very low	36.6	Very low	102 Å²	102	116 Å²	116	62%	0.618	64%	0.643	S	S	*	*	S	Bend	trans	-54.9	117.6	158.1	176.4	0	0	0	0	105.6	L386 L393	V384-L386 PolarHBondContact O-N 2.79Å; V384-L393 HydrophobicContact CG1-CD1 4.45Å
385	C	39.9	Very low	37.3	Very low	42 Å²	42	113.2 Å²	113.2	28%	0.284	63%	0.632	S	S	.	*			trans	-46.4	100.5	-179.5	-175.8	0	0	0	0	109.6	N383 M387 C388	N383-C385 PolarHBondContact O-N 2.77Å; C385-M387 PolarHBondContact O-N 2.82Å; C385-C388 HydrophobicContact CB-CB 4.32Å; C385-C388 VanDerWaalsContact CB-SG 3.56Å; C385-C388 WeakPolarHBondContact O-CB 3.34Å; C385-C388 PolarHBondContact O-N 2.86Å; C385-C388 PolarHBondContact SG-SG 3.41Å
386	L	41.1	Very low	38	Very low	165 Å²	165	110.4 Å²	110.4	86%	0.864	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-9.8	-179.5	-88.4	132.5	0	0	0	112.4	V384	V384-L386 PolarHBondContact O-N 2.79Å
387	M	36.8	Very low	39.3	Very low	174 Å²	174	108.3 Å²	108.3	86%	0.857	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-13.3	173.2	-62.2	-68.3	155.5	0	0	112.8	C385 S389	C385-M387 PolarHBondContact O-N 2.82Å; M387-S389 PolarHBondContact O-N 3.39Å
388	C	38.8	Very low	41.2	Very low	18 Å²	18	104 Å²	104	12%	0.122	56%	0.563	C	S	.	*	S	Bend	trans	-87.8	94.9	175.5	-61.7	0	0	0	0	108.7	C385 F392 L393	C385-C388 HydrophobicContact CB-CB 4.32Å; C385-C388 VanDerWaalsContact CB-SG 3.56Å; C385-C388 WeakPolarHBondContact O-CB 3.34Å; C385-C388 PolarHBondContact O-N 2.86Å; C385-C388 PolarHBondContact SG-SG 3.41Å; C388-F392 HydrophobicContact CB-CB 4.46Å; C388-F392 HydrophobicContact CB-CD1 3.74Å; C388-F392 WeakPolarHBondContact SG-CD1 3.2Å; C388-L393 HydrophobicContact CB-CD1 4.41Å; C388-L393 HydrophobicContact CB-CD2 3.7Å; C388-L393 HydrophobicContact CB-CG 3.82Å
389	S	41.6	Very low	43.7	Very low	77 Å²	77	96.5 Å²	96.5	54%	0.538	52%	0.524	S	S	.	.			trans	-50	148.4	164.3	-179.8	0	0	0	0	109.5	M387 H391 F392 L393	M387-S389 PolarHBondContact O-N 3.39Å; S389-H391 PolarHBondContact O-N 3.24Å; S389-F392 WeakPolarHBondContact O-CA 3.36Å; S389-F392 WeakPolarHBondContact O-CB 3.29Å; S389-F392 PolarHBondContact O-N 3.49Å; S389-L393 PolarHBondContact O-N 2.78Å
390	E	45.4	Very low	46.8	Very low	172 Å²	172	90.4 Å²	90.4	80%	0.804	50%	0.5	S	S	*	.	H	α-helix	trans	-49.5	-30.7	178.1	-67	-169.4	158.5	0	0	112.8	F392 L393 A394	E390-F392 VanDerWaalsContact C-N 3.35Å; E390-F392 PolarHBondContact O-N 3.34Å; E390-L393 PolarHBondContact O-N 3.16Å; E390-A394 PolarHBondContact O-N 2.96Å
391	H	43.2	Very low	49.8	Very low	170 Å²	170	82.5 Å²	82.5	79%	0.787	47%	0.466	S	S	*	.	H	α-helix	trans	-64.1	-31.7	173.8	-86.3	-89.3	0	0	0	114.6	S389	S389-H391 PolarHBondContact O-N 3.24Å
392	F	41.6	Very low	53	Low	46 Å²	46	79.9 Å²	79.9	20%	0.202	44%	0.444	C	S	.	.	H	α-helix	trans	-79.1	-33.9	177.9	-174.2	-107.6	0	0	0	112	C388 S389 E390 A395 C396 V437	C388-F392 HydrophobicContact CB-CB 4.46Å; C388-F392 HydrophobicContact CB-CD1 3.74Å; C388-F392 WeakPolarHBondContact SG-CD1 3.2Å; S389-F392 WeakPolarHBondContact O-CA 3.36Å; S389-F392 WeakPolarHBondContact O-CB 3.29Å; S389-F392 PolarHBondContact O-N 3.49Å; E390-F392 VanDerWaalsContact C-N 3.35Å; E390-F392 PolarHBondContact O-N 3.34Å; F392-A395 PolarHBondContact O-N 2.81Å; F392-C396 PolarHBondContact O-N 3.19Å; F392-C396 PolarHBondContact O-SG 2.86Å; F392-C396 VanDerWaalsContact O-SG 3.36Å; F392-V437 HydrophobicContact CE1-CG2 4.23Å
393	L	40.1	Very low	56	Low	55 Å²	55	76 Å²	76	29%	0.288	42%	0.423	S	S	.	.	H	α-helix	trans	-69.9	-35.5	179.8	-67.1	172.6	0	0	0	112.9	V384 C388 S389 E390 A395 C396	V384-L393 HydrophobicContact CG1-CD1 4.45Å; C388-L393 HydrophobicContact CB-CD1 4.41Å; C388-L393 HydrophobicContact CB-CD2 3.7Å; C388-L393 HydrophobicContact CB-CG 3.82Å; S389-L393 PolarHBondContact O-N 2.78Å; E390-L393 PolarHBondContact O-N 3.16Å; L393-A395 VanDerWaalsContact C-N 3.26Å; L393-A395 PolarHBondContact O-N 3.21Å; L393-C396 WeakPolarHBondContact O-CB 3.41Å; L393-C396 PolarHBondContact O-N 2.99Å
394	A	41.3	Very low	59	Low	57 Å²	57	69.6 Å²	69.6	47%	0.471	39%	0.389	S	S	.	.	H	α-helix	trans	-61.4	-36	175.8	0	0	0	0	0	112.4	E390 S397	E390-A394 PolarHBondContact O-N 2.96Å; A394-S397 PolarHBondContact O-OG 2.9Å
395	A	44.6	Very low	61.8	Low	70 Å²	70	65.5 Å²	65.5	58%	0.579	36%	0.364	S	S	*	.	H	α-helix	trans	-73.8	-28.3	176.3	0	0	0	0	0	113.2	F392 L393 S397	F392-A395 PolarHBondContact O-N 2.81Å; L393-A395 VanDerWaalsContact C-N 3.26Å; L393-A395 PolarHBondContact O-N 3.21Å; A395-S397 PolarHBondContact O-N 3.43Å
396	C	48.5	Very low	64.5	Low	6 Å²	6	64.1 Å²	64.1	4%	0.041	36%	0.355	C	S	.	.	H	α-helix	trans	-68.3	-19.4	176.1	-71.2	0	0	0	0	113.5	F392 L393 L398 S399 D419 R423	F392-C396 PolarHBondContact O-N 3.19Å; F392-C396 PolarHBondContact O-SG 2.86Å; F392-C396 VanDerWaalsContact O-SG 3.36Å; L393-C396 WeakPolarHBondContact O-CB 3.41Å; L393-C396 PolarHBondContact O-N 2.99Å; C396-L398 VanDerWaalsContact C-N 3.25Å; C396-L398 PolarHBondContact O-N 3.01Å; C396-L398 VanDerWaalsContact O-N 3.16Å; C396-S399 PolarHBondContact O-OG 3.47Å; C396-D419 WeakPolarHBondContact CA-OD2 3.28Å; C396-D419 PolarHBondContact SG-OD2 3.27Å; C396-R423 PolarHBondContact O-NH2 3.36Å
397	S	57	Low	67.2	Low	27 Å²	27	56.5 Å²	56.5	19%	0.189	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.8	-165.1	77.8	0	0	0	0	116.4	P370 A371 A394 A395	P370-S397 WeakPolarHBondContact CB-O 3.31Å; P370-S397 WeakPolarHBondContact CG-O 3.2Å; A371-S397 WeakPolarHBondContact O-CA 3.26Å; A371-S397 WeakPolarHBondContact O-CB 3.46Å; A394-S397 PolarHBondContact O-OG 2.9Å; A395-S397 PolarHBondContact O-N 3.43Å
398	L	73.3	Confident	69.9	Low	125 Å²	125	50.3 Å²	50.3	65%	0.654	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.2	27.9	179.8	-68.8	168.1	0	0	0	111.4	C396	C396-L398 VanDerWaalsContact C-N 3.25Å; C396-L398 PolarHBondContact O-N 3.01Å; C396-L398 VanDerWaalsContact O-N 3.16Å
399	S	85.5	Confident	72.4	Confident	7 Å²	7	54.2 Å²	54.2	5%	0.049	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-70.3	129.7	179.4	49.1	0	0	0	0	110.7	G352 C396 D419 R423	G352-S399 WeakPolarHBondContact CA-O 3.36Å; C396-S399 PolarHBondContact O-OG 3.47Å; S399-D419 WeakPolarHBondContact CB-OD2 3.38Å; S399-D419 VanDerWaalsContact OG-CG 3.26Å; S399-D419 PolarHBondContact OG-OD2 3.06Å; S399-R423 PolarHBondContact OG-NH2 3.36Å
400	P	92.5	Very high	74.9	Confident	48 Å²	48	54 Å²	54	31%	0.312	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-57.1	142.2	175.7	-24.6	32.2	0	0	0	112.1	S350 H417 E418	S350-P400 WeakPolarHBondContact O-CA 3.5Å; S350-P400 WeakPolarHBondContact O-CB 3.37Å; S350-P400 WeakPolarHBondContact O-CG 3.5Å; P400-H417 WeakPolarHBondContact O-CA 3.44Å; P400-E418 HydrophobicContact CB-CB 4.49Å; P400-E418 HydrophobicContact CG-CB 4.47Å; P400-E418 PolarHBondContact O-N 3Å
401	I	95.6	Very high	77.3	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.2	170.2	-64.9	160.8	0	0	0	108.2	T333 A348 G352 A354 I404 A416 H417	T333-I401 WeakPolarHBondContact CB-O 3.46Å; T333-I401 PolarHBondContact OG1-O 3.02Å; A348-I401 HydrophobicContact CB-CB 3.8Å; A348-I401 HydrophobicContact CB-CD1 3.8Å; A348-I401 HydrophobicContact CB-CG1 4.41Å; A348-I401 HydrophobicContact CB-CG2 3.47Å; A348-I401 VanDerWaalsContact CB-CG2 3.47Å; G352-I401 WeakPolarHBondContact O-CD1 3.14Å; A354-I401 HydrophobicContact CB-CD1 3.99Å; I401-I404 HydrophobicContact CG2-CG2 3.67Å; I401-A416 CarbonylContact C-O 3.56Å; I401-A416 WeakPolarHBondContact CA-O 3.34Å; I401-H417 WeakPolarHBondContact CG1-CE1 3.48Å
402	N	97.2	Very high	79.8	Confident	46 Å²	46	40.8 Å²	40.8	25%	0.246	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-43.8	178.3	-70.4	-34.3	0	0	0	111.9	A416 E418 V443	N402-A416 PolarHBondContact N-O 2.8Å; N402-E418 PolarHBondContact ND2-OE2 3.22Å; N402-V443 WeakPolarHBondContact CB-O 3.28Å; N402-V443 PolarHBondContact ND2-O 3.36Å
403	Q	97.9	Very high	82.4	Confident	50 Å²	50	38.6 Å²	38.6	23%	0.234	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	148.3	178.4	-168.4	168.5	13.1	0	0	111.9	A416	Q403-A416 PolarHBondContact O-N 3.35Å
404	I	97.6	Very high	85.1	Confident	3 Å²	3	36 Å²	36	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	151.6	168.5	64.9	177.2	0	0	0	111	S334 D336 V346 A348 I401 T413 V414 T415	S334-I404 PolarHBondContact OG-N 2.95Å; D336-I404 HydrophobicContact CB-CD1 4.43Å; D336-I404 HydrophobicContact CB-CG1 4.23Å; V346-I404 HydrophobicContact CB-CD1 3.81Å; V346-I404 HydrophobicContact CG1-CD1 3.76Å; V346-I404 VanDerWaalsContact O-CD1 3.26Å; V346-I404 WeakPolarHBondContact O-CD1 3.44Å; A348-I404 HydrophobicContact CB-CD1 4.34Å; A348-I404 HydrophobicContact CB-CG2 3.4Å; A348-I404 VanDerWaalsContact CB-CG2 3.4Å; I401-I404 HydrophobicContact CG2-CG2 3.67Å; I404-T413 HydrophobicContact CB-CG2 4.35Å; I404-V414 WeakPolarHBondContact CA-O 3.35Å; I404-T415 HydrophobicContact CB-CG2 4.46Å; I404-T415 HydrophobicContact CG2-CG2 3.67Å
405	V	97.7	Very high	87.8	Confident	15 Å²	15	33.3 Å²	33.3	9%	0.091	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	133.5	170.9	-69.4	0	0	0	0	109.3	D336 V414 L446 I448 L455	D336-V405 WeakPolarHBondContact OD2-CA 3.07Å; V405-V414 HydrophobicContact CG2-CB 3.9Å; V405-V414 PolarHBondContact N-O 2.59Å; V405-V414 PolarHBondContact O-N 3.2Å; V405-L446 HydrophobicContact CG1-CB 3.99Å; V405-L446 HydrophobicContact CG2-CB 3.76Å; V405-L446 HydrophobicContact CG2-CD1 4.03Å; V405-I448 HydrophobicContact CB-CD1 4.17Å; V405-I448 HydrophobicContact CB-CG1 4.41Å; V405-I448 HydrophobicContact CG2-CD1 3.68Å; V405-I448 HydrophobicContact CG2-CG1 3.83Å; V405-L455 HydrophobicContact CG2-CD1 4.28Å
406	C	97.4	Very high	90.3	Very high	14 Å²	14	30 Å²	30	10%	0.095	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	138.6	173.2	-64.9	0	0	0	0	109.9	D336 F337 V346 T413	D336-C406 PolarHBondContact OD2-N 2.83Å; F337-C406 WeakPolarHBondContact O-CB 3.37Å; V346-C406 VanDerWaalsContact CG2-SG 3.58Å; C406-T413 PolarHBondContact SG-OG1 3.38Å; C406-T413 VanDerWaalsContact SG-OG1 3.37Å
407	H	97	Very high	92.5	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.023	17%	0.171	C	C	.	.			trans	-67.5	137.4	174.9	-176.5	-73.6	0	0	0	110.1	S339 T409 L410 I412 I448 G452	S339-H407 PolarHBondContact OG-O 2.92Å; H407-T409 VanDerWaalsContact C-N 3.29Å; H407-T409 PolarHBondContact CE1-OG1 3.44Å; H407-T409 PolarHBondContact ND1-N 3.29Å; H407-T409 VanDerWaalsContact ND1-N 3.14Å; H407-T409 PolarHBondContact O-N 2.99Å; H407-L410 HydrophobicContact CB-CB 4.44Å; H407-L410 WeakPolarHBondContact ND1-CB 3.25Å; H407-L410 PolarHBondContact ND1-N 3.48Å; H407-I412 HydrophobicContact CB-CB 4.03Å; H407-I412 VanDerWaalsContact CB-O 3.27Å; H407-I412 WeakPolarHBondContact CB-O 3.44Å; H407-I412 PolarHBondContact N-O 3.27Å; H407-I448 HydrophobicContact CB-CD1 4.33Å; H407-G452 VanDerWaalsContact NE2-CA 3.34Å; H407-G452 WeakPolarHBondContact NE2-CA 3.31Å; H407-G452 PolarHBondContact NE2-O 3.07Å
408	P	93.8	Very high	94.3	Very high	44 Å²	44	32.3 Å²	32.3	29%	0.286	18%	0.18	S	C	.	.	S	Bend	trans	-67.2	-21.1	-170	24.6	-35.5	0	0	0	115.1	S339 I448	S339-P408 WeakPolarHBondContact CB-O 3.17Å; S339-P408 WeakPolarHBondContact OG-CA 3.45Å; S339-P408 PolarHBondContact OG-O 2.92Å; P408-I448 HydrophobicContact CG-CG2 4.33Å
409	T	92.1	Very high	95.2	Very high	99 Å²	99	27.2 Å²	27.2	61%	0.607	15%	0.153	S	C	*	.	S	Bend	trans	-129.2	-46.9	179.2	58.7	0	0	0	0	114.3	H407	H407-T409 VanDerWaalsContact C-N 3.29Å; H407-T409 PolarHBondContact CE1-OG1 3.44Å; H407-T409 PolarHBondContact ND1-N 3.29Å; H407-T409 VanDerWaalsContact ND1-N 3.14Å; H407-T409 PolarHBondContact O-N 2.99Å
410	L	94.2	Very high	95.6	Very high	72 Å²	72	31.2 Å²	31.2	38%	0.377	17%	0.167	S	C	.	.	S	Bend	trans	-70.8	148.2	175.8	-55.4	176.5	0	0	0	112.4	H407 I412	H407-L410 HydrophobicContact CB-CB 4.44Å; H407-L410 WeakPolarHBondContact ND1-CB 3.25Å; H407-L410 PolarHBondContact ND1-N 3.48Å; L410-I412 HydrophobicContact CB-CD1 3.98Å; L410-I412 HydrophobicContact CB-CG1 4.05Å; L410-I412 HydrophobicContact CD1-CD1 3.94Å; L410-I412 PolarHBondContact O-N 3.08Å
411	P	95	Very high	95.7	Very high	40 Å²	40	29 Å²	29	26%	0.26	15%	0.153	S	C	.	.	S	Bend	trans	-77.7	59	175.5	34.6	-36.6	0	0	0	110.9	N427 N428	P411-N427 HydrophobicContact CB-CB 4.21Å; P411-N427 WeakPolarHBondContact O-CB 3.23Å; P411-N427 PolarHBondContact O-N 3.29Å; P411-N428 WeakPolarHBondContact CB-ND2 3.23Å; P411-N428 VanDerWaalsContact CG-ND2 3.27Å; P411-N428 WeakPolarHBondContact CG-ND2 3.43Å
412	I	95.2	Very high	95.7	Very high	26 Å²	26	29 Å²	29	13%	0.133	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.1	-177	-62.4	175.5	0	0	0	108.9	H407 L410 V414 F424 F425 I433	H407-I412 HydrophobicContact CB-CB 4.03Å; H407-I412 VanDerWaalsContact CB-O 3.27Å; H407-I412 WeakPolarHBondContact CB-O 3.44Å; H407-I412 PolarHBondContact N-O 3.27Å; L410-I412 HydrophobicContact CB-CD1 3.98Å; L410-I412 HydrophobicContact CB-CG1 4.05Å; L410-I412 HydrophobicContact CD1-CD1 3.94Å; L410-I412 PolarHBondContact O-N 3.08Å; I412-V414 HydrophobicContact CG2-CG2 4.34Å; I412-F424 HydrophobicContact CG2-CD1 4.28Å; I412-F425 VanDerWaalsContact CA-O 3.3Å; I412-F425 WeakPolarHBondContact CA-O 3.08Å; I412-I433 HydrophobicContact CD1-CD1 4.17Å; I412-I433 HydrophobicContact CG1-CD1 3.92Å; I412-I433 HydrophobicContact CG2-CD1 4.31Å
413	T	97.1	Very high	95.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.8	167.3	-67.6	0	0	0	0	109.9	V346 F368 I404 C406 T415 F425 N427	V346-T413 HydrophobicContact CG1-CG2 4.22Å; F368-T413 HydrophobicContact CE2-CG2 4.18Å; I404-T413 HydrophobicContact CB-CG2 4.35Å; C406-T413 PolarHBondContact SG-OG1 3.38Å; C406-T413 VanDerWaalsContact SG-OG1 3.37Å; T413-T415 HydrophobicContact CG2-CG2 4.16Å; T413-F425 PolarHBondContact N-O 2.97Å; T413-F425 PolarHBondContact O-N 2.68Å; T413-N427 WeakPolarHBondContact CB-OD1 3.48Å; T413-N427 PolarHBondContact N-OD1 3.21Å; T413-N427 VanDerWaalsContact N-OD1 3.15Å; T413-N427 PolarHBondContact OG1-ND2 3.03Å; T413-N427 PolarHBondContact OG1-OD1 3.02Å
414	V	97.4	Very high	95.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.6	176.5	-168	0	0	0	0	108.8	I404 V405 I412 I422 R423 F424 L446 I448 L455	I404-V414 WeakPolarHBondContact CA-O 3.35Å; V405-V414 HydrophobicContact CG2-CB 3.9Å; V405-V414 PolarHBondContact N-O 2.59Å; V405-V414 PolarHBondContact O-N 3.2Å; I412-V414 HydrophobicContact CG2-CG2 4.34Å; V414-I422 HydrophobicContact CG1-CG2 3.37Å; V414-R423 CarbonylContact C-O 3.57Å; V414-R423 WeakPolarHBondContact CA-O 3.34Å; V414-F424 HydrophobicContact CB-CD1 4.4Å; V414-F424 HydrophobicContact CB-CE1 4.39Å; V414-F424 HydrophobicContact CG1-CD1 4.13Å; V414-F424 HydrophobicContact CG1-CE1 3.84Å; V414-F424 HydrophobicContact CG1-CZ 4.07Å; V414-F424 HydrophobicContact CG2-CD1 3.58Å; V414-F424 HydrophobicContact CG2-CE1 3.61Å; V414-L446 HydrophobicContact CB-CD1 4.4Å; V414-L446 HydrophobicContact CG1-CD1 3.94Å; V414-I448 HydrophobicContact CG2-CD1 4.09Å; V414-L455 HydrophobicContact CG1-CD1 4.39Å; V414-L455 HydrophobicContact CG1-CD2 3.92Å
415	T	97.3	Very high	95.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.8	-174.7	58.8	0	0	0	0	110.1	I404 T413 H417 I422 R423 F425	I404-T415 HydrophobicContact CB-CG2 4.46Å; I404-T415 HydrophobicContact CG2-CG2 3.67Å; T413-T415 HydrophobicContact CG2-CG2 4.16Å; T415-H417 WeakPolarHBondContact CB-NE2 3.33Å; T415-H417 PolarHBondContact O-CD2 2.85Å; T415-H417 PolarHBondContact OG1-NE2 2.97Å; T415-I422 WeakPolarHBondContact O-CA 3.46Å; T415-R423 PolarHBondContact N-O 2.72Å; T415-R423 PolarHBondContact O-N 2.79Å; T415-R423 WeakPolarHBondContact OG1-CB 3.3Å; T415-R423 PolarHBondContact OG1-O 2.96Å; T415-F425 HydrophobicContact CG2-CD2 3.98Å; T415-F425 HydrophobicContact CG2-CE2 4.01Å; T415-F425 WeakPolarHBondContact OG1-CE2 3.42Å
416	A	97.3	Very high	95.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.5	176.9	0	0	0	0	0	110.2	I401 N402 Q403 V443 L446	I401-A416 CarbonylContact C-O 3.56Å; I401-A416 WeakPolarHBondContact CA-O 3.34Å; N402-A416 PolarHBondContact N-O 2.8Å; Q403-A416 PolarHBondContact O-N 3.35Å; A416-V443 HydrophobicContact CB-CB 3.84Å; A416-V443 HydrophobicContact CB-CG1 3.56Å; A416-L446 HydrophobicContact CB-CD1 3.54Å; A416-L446 HydrophobicContact CB-CD2 4.12Å; A416-L446 HydrophobicContact CB-CG 3.59Å
417	H	95.5	Very high	94.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	155.3	-169.5	-64.5	-98.3	0	0	0	112.3	P400 I401 T415 D419 R420 T421 R423 V443	P400-H417 WeakPolarHBondContact O-CA 3.44Å; I401-H417 WeakPolarHBondContact CG1-CE1 3.48Å; T415-H417 WeakPolarHBondContact CB-NE2 3.33Å; T415-H417 PolarHBondContact O-CD2 2.85Å; T415-H417 PolarHBondContact OG1-NE2 2.97Å; H417-D419 WeakPolarHBondContact CB-OD1 3.29Å; H417-D419 IonicContact CG-OD1 2.78Å; H417-D419 PolarHBondContact O-N 2.87Å; H417-R420 PolarHBondContact O-N 2.75Å; H417-T421 PolarHBondContact N-O 2.94Å; H417-T421 VanDerWaalsContact N-O 3.12Å; H417-R423 PolarHBondContact CE1-NH1 2.99Å; H417-R423 WeakPolarHBondContact NE2-CD 3.48Å; H417-V443 PolarHBondContact O-N 3.41Å
418	E	94.3	Very high	94.7	Very high	82 Å²	82	31.2 Å²	31.2	38%	0.383	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.1	174.1	-164	60.9	-165.9	0	0	112.9	P400 N402 R420 A442	P400-E418 HydrophobicContact CB-CB 4.49Å; P400-E418 HydrophobicContact CG-CB 4.47Å; P400-E418 PolarHBondContact O-N 3Å; N402-E418 PolarHBondContact ND2-OE2 3.22Å; E418-R420 PolarHBondContact O-N 2.85Å; E418-R420 VanDerWaalsContact O-N 3.11Å; E418-A442 VanDerWaalsContact CD-CB 3.44Å; E418-A442 HydrophobicContact CG-CB 4.4Å; E418-A442 WeakPolarHBondContact OE2-CB 3.44Å
419	D	91.7	Very high	94.6	Very high	18 Å²	18	31.5 Å²	31.5	10%	0.096	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	15.9	179.2	66.9	9.2	0	0	0	114.5	C396 S399 H417 T421 R423	C396-D419 WeakPolarHBondContact CA-OD2 3.28Å; C396-D419 PolarHBondContact SG-OD2 3.27Å; S399-D419 WeakPolarHBondContact CB-OD2 3.38Å; S399-D419 VanDerWaalsContact OG-CG 3.26Å; S399-D419 PolarHBondContact OG-OD2 3.06Å; H417-D419 WeakPolarHBondContact CB-OD1 3.29Å; H417-D419 IonicContact CG-OD1 2.78Å; H417-D419 PolarHBondContact O-N 2.87Å; D419-T421 PolarHBondContact O-N 2.81Å; D419-T421 VanDerWaalsContact OD1-CB 3.28Å; D419-T421 WeakPolarHBondContact OD1-CB 3.23Å; D419-T421 WeakPolarHBondContact OD1-CG2 3.19Å; D419-T421 PolarHBondContact OD1-N 3.34Å; D419-T421 PolarHBondContact OD1-OG1 3.46Å; D419-R423 IonicContact OD2-CZ 3.73Å; D419-R423 IonicContact OD2-NH2 2.67Å; D419-R423 PolarHBondContact OD2-NH2 3.24Å
420	R	94.7	Very high	94.4	Very high	91 Å²	91	27 Å²	27	34%	0.343	14%	0.141	S	C	.	.	S	Bend	trans	74.7	6.5	177.7	-38.8	170.4	-77.8	-164	2	113.9	H417 E418 A438 H439 L440 D441	H417-R420 PolarHBondContact O-N 2.75Å; E418-R420 PolarHBondContact O-N 2.85Å; E418-R420 VanDerWaalsContact O-N 3.11Å; R420-A438 PolarHBondContact O-N 2.92Å; R420-H439 WeakPolarHBondContact CB-O 3.26Å; R420-H439 PolarHBondContact O-N 3.04Å; R420-L440 VanDerWaalsContact CD-C 3.49Å; R420-L440 WeakPolarHBondContact CD-O 3.45Å; R420-D441 WeakPolarHBondContact CB-O 3.49Å; R420-D441 VanDerWaalsContact CG-C 3.47Å; R420-D441 WeakPolarHBondContact CG-O 3.26Å
421	T	94.4	Very high	94.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	151.9	-178.4	71.7	0	0	0	0	112.9	H417 D419 R423 V436 V437	H417-T421 PolarHBondContact N-O 2.94Å; H417-T421 VanDerWaalsContact N-O 3.12Å; D419-T421 PolarHBondContact O-N 2.81Å; D419-T421 VanDerWaalsContact OD1-CB 3.28Å; D419-T421 WeakPolarHBondContact OD1-CB 3.23Å; D419-T421 WeakPolarHBondContact OD1-CG2 3.19Å; D419-T421 PolarHBondContact OD1-N 3.34Å; D419-T421 PolarHBondContact OD1-OG1 3.46Å; T421-R423 PolarHBondContact OG1-NE 3.48Å; T421-V436 CarbonylContact C-O 3.54Å; T421-V436 VanDerWaalsContact CA-O 3.23Å; T421-V436 WeakPolarHBondContact CA-O 3.34Å; T421-V437 HydrophobicContact CG2-CG2 4.29Å
422	I	95.4	Very high	94	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.9	162.7	-65.6	172.8	0	0	0	106.9	V414 T415 F424 C435 V436 A438 V443 L446 L455	V414-I422 HydrophobicContact CG1-CG2 3.37Å; T415-I422 WeakPolarHBondContact O-CA 3.46Å; I422-F424 HydrophobicContact CG2-CD2 4.45Å; I422-F424 HydrophobicContact CG2-CE2 3.73Å; I422-F424 HydrophobicContact CG2-CZ 3.94Å; I422-C435 WeakPolarHBondContact O-CA 3.24Å; I422-V436 PolarHBondContact N-O 2.78Å; I422-V436 PolarHBondContact O-N 3.23Å; I422-A438 HydrophobicContact CB-CB 4.2Å; I422-A438 HydrophobicContact CD1-CB 3.44Å; I422-A438 VanDerWaalsContact CD1-CB 3.44Å; I422-A438 HydrophobicContact CG1-CB 3.53Å; I422-V443 HydrophobicContact CD1-CG1 4.26Å; I422-V443 HydrophobicContact CG1-CG1 4.02Å; I422-V443 HydrophobicContact CG1-CG2 4.2Å; I422-L446 HydrophobicContact CD1-CD2 3.89Å; I422-L446 HydrophobicContact CG1-CD2 4.25Å; I422-L455 HydrophobicContact CD1-CD2 4.13Å; I422-L455 HydrophobicContact CG2-CD2 4.04Å
423	R	94.4	Very high	93.8	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.6	179.9	-52.3	179.4	-169.7	164.2	-6.3	110.8	C396 S399 V414 T415 H417 D419 T421 F425 M432 D434 C435	C396-R423 PolarHBondContact O-NH2 3.36Å; S399-R423 PolarHBondContact OG-NH2 3.36Å; V414-R423 CarbonylContact C-O 3.57Å; V414-R423 WeakPolarHBondContact CA-O 3.34Å; T415-R423 PolarHBondContact N-O 2.72Å; T415-R423 PolarHBondContact O-N 2.79Å; T415-R423 WeakPolarHBondContact OG1-CB 3.3Å; T415-R423 PolarHBondContact OG1-O 2.96Å; H417-R423 PolarHBondContact CE1-NH1 2.99Å; H417-R423 WeakPolarHBondContact NE2-CD 3.48Å; D419-R423 IonicContact OD2-CZ 3.73Å; D419-R423 IonicContact OD2-NH2 2.67Å; D419-R423 PolarHBondContact OD2-NH2 3.24Å; T421-R423 PolarHBondContact OG1-NE 3.48Å; R423-F425 HydrophobicContact CB-CD2 4.46Å; R423-F425 HydrophobicContact CB-CE2 3.73Å; R423-F425 HydrophobicContact CB-CZ 4.25Å; R423-M432 HydrophobicContact CB-SD 4.13Å; R423-M432 HydrophobicContact CG-SD 4.15Å; R423-D434 WeakPolarHBondContact CA-O 3.19Å; R423-C435 HydrophobicContact CG-CB 4.21Å
424	F	94.7	Very high	93.5	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.035	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.4	-179.5	-62.6	-99.1	0	0	0	108.7	I412 V414 I422 M432 I433 D434 L455 K472	I412-F424 HydrophobicContact CG2-CD1 4.28Å; V414-F424 HydrophobicContact CB-CD1 4.4Å; V414-F424 HydrophobicContact CB-CE1 4.39Å; V414-F424 HydrophobicContact CG1-CD1 4.13Å; V414-F424 HydrophobicContact CG1-CE1 3.84Å; V414-F424 HydrophobicContact CG1-CZ 4.07Å; V414-F424 HydrophobicContact CG2-CD1 3.58Å; V414-F424 HydrophobicContact CG2-CE1 3.61Å; I422-F424 HydrophobicContact CG2-CD2 4.45Å; I422-F424 HydrophobicContact CG2-CE2 3.73Å; I422-F424 HydrophobicContact CG2-CZ 3.94Å; F424-M432 CarbonylContact O-C 3.51Å; F424-M432 WeakPolarHBondContact O-CA 3.25Å; F424-I433 HydrophobicContact CB-CB 4.23Å; F424-I433 PolarHBondContact O-N 3.07Å; F424-D434 HydrophobicContact CD2-CB 4.32Å; F424-D434 PolarHBondContact N-O 3.44Å; F424-D434 PolarHBondContact O-N 3.36Å; F424-L455 HydrophobicContact CE1-CD2 4.49Å; F424-L455 HydrophobicContact CZ-CD2 4.09Å; F424-K472 HydrophobicContact CD1-CD 4.27Å; F424-K472 HydrophobicContact CD2-CD 3.88Å; F424-K472 HydrophobicContact CE1-CD 3.89Å; F424-K472 HydrophobicContact CE2-CD 3.48Å; F424-K472 VanDerWaalsContact CE2-CD 3.48Å; F424-K472 HydrophobicContact CG-CD 4.27Å; F424-K472 HydrophobicContact CZ-CD 3.49Å; F424-K472 VanDerWaalsContact CZ-CD 3.49Å
425	F	94.5	Very high	93.2	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145	179.9	-67.5	-88.3	0	0	0	110.6	F368 I412 T413 T415 R423 Q431 M432	F368-F425 HydrophobicContact CB-CD1 3.89Å; F368-F425 HydrophobicContact CB-CE1 3.93Å; F368-F425 HydrophobicContact CB-CG 4.27Å; F368-F425 HydrophobicContact CB-CZ 4.35Å; F368-F425 HydrophobicContact CD1-CB 4.21Å; F368-F425 HydrophobicContact CD1-CD1 4.24Å; F368-F425 HydrophobicContact CD1-CG 4.38Å; F368-F425 HydrophobicContact CD2-CB 4.18Å; F368-F425 HydrophobicContact CD2-CD2 4.38Å; F368-F425 HydrophobicContact CD2-CG 4.13Å; F368-F425 HydrophobicContact CE1-CB 4.21Å; F368-F425 HydrophobicContact CE2-CB 4.18Å; F368-F425 HydrophobicContact CG-CB 4.21Å; F368-F425 AromaticContact CG-CD1 3.99Å; F368-F425 HydrophobicContact CG-CD1 3.99Å; F368-F425 HydrophobicContact CG-CG 4.01Å; F368-F425 HydrophobicContact CZ-CB 4.18Å; I412-F425 VanDerWaalsContact CA-O 3.3Å; I412-F425 WeakPolarHBondContact CA-O 3.08Å; T413-F425 PolarHBondContact N-O 2.97Å; T413-F425 PolarHBondContact O-N 2.68Å; T415-F425 HydrophobicContact CG2-CD2 3.98Å; T415-F425 HydrophobicContact CG2-CE2 4.01Å; T415-F425 WeakPolarHBondContact OG1-CE2 3.42Å; R423-F425 HydrophobicContact CB-CD2 4.46Å; R423-F425 HydrophobicContact CB-CE2 3.73Å; R423-F425 HydrophobicContact CB-CZ 4.25Å; F425-Q431 WeakPolarHBondContact CA-O 3.49Å; F425-M432 HydrophobicContact CD1-CB 3.97Å; F425-M432 HydrophobicContact CD1-CG 4.49Å; F425-M432 HydrophobicContact CE1-CB 3.7Å; F425-M432 HydrophobicContact CE1-CG 4.14Å; F425-M432 HydrophobicContact CZ-CB 4.38Å; F425-M432 HydrophobicContact CZ-CG 4.36Å; F425-M432 HydrophobicContact CZ-SD 4.47Å
426	D	93.4	Very high	92.9	Very high	38 Å²	38	40.9 Å²	40.9	20%	0.203	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	122.3	169.7	167.1	33.4	0	0	0	109.4	N428 S429 G430 Q431 I433	D426-N428 PolarHBondContact O-N 3.02Å; D426-N428 PolarHBondContact OD1-N 3.47Å; D426-N428 PolarHBondContact OD1-ND2 3.41Å; D426-S429 PolarHBondContact O-N 3.47Å; D426-S429 VanDerWaalsContact OD2-CB 3.26Å; D426-S429 WeakPolarHBondContact OD2-CB 3.29Å; D426-S429 PolarHBondContact OD2-N 3.36Å; D426-S429 PolarHBondContact OD2-OG 2.89Å; D426-G430 WeakPolarHBondContact O-CA 3.16Å; D426-G430 PolarHBondContact O-N 3.21Å; D426-Q431 PolarHBondContact N-O 2.8Å; D426-I433 HydrophobicContact CB-CD1 3.9Å; D426-I433 HydrophobicContact CB-CG1 3.87Å
427	N	93.9	Very high	92.8	Very high	9 Å²	9	43.7 Å²	43.7	5%	0.048	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.7	-175	-63.4	-2.8	0	0	0	112.8	M338 I356 L366 F368 P411 T413	M338-N427 HydrophobicContact SD-CB 4.1Å; I356-N427 HydrophobicContact CD1-CB 3.9Å; I356-N427 WeakPolarHBondContact CD1-O 3.44Å; L366-N427 WeakPolarHBondContact CD1-O 3.2Å; F368-N427 WeakPolarHBondContact CZ-OD1 3.42Å; P411-N427 HydrophobicContact CB-CB 4.21Å; P411-N427 WeakPolarHBondContact O-CB 3.23Å; P411-N427 PolarHBondContact O-N 3.29Å; T413-N427 WeakPolarHBondContact CB-OD1 3.48Å; T413-N427 PolarHBondContact N-OD1 3.21Å; T413-N427 VanDerWaalsContact N-OD1 3.15Å; T413-N427 PolarHBondContact OG1-ND2 3.03Å; T413-N427 PolarHBondContact OG1-OD1 3.02Å
428	N	93.4	Very high	92.7	Very high	116 Å²	116	43.7 Å²	43.7	62%	0.62	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-39.8	175.4	-56	-68.4	0	0	0	112.5	P411 D426	P411-N428 WeakPolarHBondContact CB-ND2 3.23Å; P411-N428 VanDerWaalsContact CG-ND2 3.27Å; P411-N428 WeakPolarHBondContact CG-ND2 3.43Å; D426-N428 PolarHBondContact O-N 3.02Å; D426-N428 PolarHBondContact OD1-N 3.47Å; D426-N428 PolarHBondContact OD1-ND2 3.41Å
429	S	90.7	Very high	92.8	Very high	51 Å²	51	40 Å²	40	36%	0.357	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-19.2	-176.3	64.6	0	0	0	0	114	D426 Q431	D426-S429 PolarHBondContact O-N 3.47Å; D426-S429 VanDerWaalsContact OD2-CB 3.26Å; D426-S429 WeakPolarHBondContact OD2-CB 3.29Å; D426-S429 PolarHBondContact OD2-N 3.36Å; D426-S429 PolarHBondContact OD2-OG 2.89Å; S429-Q431 PolarHBondContact O-N 2.94Å; S429-Q431 PolarHBondContact OG-N 2.78Å
430	G	89	Confident	92.9	Very high	4 Å²	4	45.4 Å²	45.4	4%	0.041	24%	0.238	C	C	.	.			trans	73.3	5.3	-171.2	0	0	0	0	0	114.4	D426	D426-G430 WeakPolarHBondContact O-CA 3.16Å; D426-G430 PolarHBondContact O-N 3.21Å
431	Q	88.8	Confident	93	Very high	130 Å²	130	43.1 Å²	43.1	61%	0.607	23%	0.233	S	C	*	.			trans	-88.1	149.8	-177.5	-61.6	-173.3	21.2	0	0	111.7	F425 D426 S429 I433	F425-Q431 WeakPolarHBondContact CA-O 3.49Å; D426-Q431 PolarHBondContact N-O 2.8Å; S429-Q431 PolarHBondContact O-N 2.94Å; S429-Q431 PolarHBondContact OG-N 2.78Å; Q431-I433 PolarHBondContact O-N 2.89Å
432	M	90.2	Very high	93.1	Very high	85 Å²	85	43 Å²	43	42%	0.419	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	123.4	172	-171	171.4	65.4	0	0	109.5	R423 F424 F425 C435	R423-M432 HydrophobicContact CB-SD 4.13Å; R423-M432 HydrophobicContact CG-SD 4.15Å; F424-M432 CarbonylContact O-C 3.51Å; F424-M432 WeakPolarHBondContact O-CA 3.25Å; F425-M432 HydrophobicContact CD1-CB 3.97Å; F425-M432 HydrophobicContact CD1-CG 4.49Å; F425-M432 HydrophobicContact CE1-CB 3.7Å; F425-M432 HydrophobicContact CE1-CG 4.14Å; F425-M432 HydrophobicContact CZ-CB 4.38Å; F425-M432 HydrophobicContact CZ-CG 4.36Å; F425-M432 HydrophobicContact CZ-SD 4.47Å; M432-C435 HydrophobicContact CE-CB 4.22Å; M432-C435 HydrophobicContact SD-CB 3.95Å
433	I	91.7	Very high	93.2	Very high	88 Å²	88	42.9 Å²	42.9	45%	0.451	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-49.4	175.1	-57.2	168.4	0	0	0	109.6	I412 F424 D426 Q431	I412-I433 HydrophobicContact CD1-CD1 4.17Å; I412-I433 HydrophobicContact CG1-CD1 3.92Å; I412-I433 HydrophobicContact CG2-CD1 4.31Å; F424-I433 HydrophobicContact CB-CB 4.23Å; F424-I433 PolarHBondContact O-N 3.07Å; D426-I433 HydrophobicContact CB-CD1 3.9Å; D426-I433 HydrophobicContact CB-CG1 3.87Å; Q431-I433 PolarHBondContact O-N 2.89Å
434	D	90.9	Very high	93.3	Very high	56 Å²	56	43.6 Å²	43.6	30%	0.299	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	161.1	-174.4	-152.9	-12.7	0	0	0	112	R423 F424	R423-D434 WeakPolarHBondContact CA-O 3.19Å; F424-D434 HydrophobicContact CD2-CB 4.32Å; F424-D434 PolarHBondContact N-O 3.44Å; F424-D434 PolarHBondContact O-N 3.36Å
435	C	90	Very high	93.5	Very high	40 Å²	40	43.2 Å²	43.2	27%	0.27	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	125	178.4	174.1	0	0	0	0	110.7	I422 R423 M432	I422-C435 WeakPolarHBondContact O-CA 3.24Å; R423-C435 HydrophobicContact CG-CB 4.21Å; M432-C435 HydrophobicContact CE-CB 4.22Å; M432-C435 HydrophobicContact SD-CB 3.95Å
436	V	92.4	Very high	93.7	Very high	31 Å²	31	43 Å²	43	19%	0.188	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.4	-178.3	-176.6	0	0	0	0	110.2	T421 I422 A438 W467 K472	T421-V436 CarbonylContact C-O 3.54Å; T421-V436 VanDerWaalsContact CA-O 3.23Å; T421-V436 WeakPolarHBondContact CA-O 3.34Å; I422-V436 PolarHBondContact N-O 2.78Å; I422-V436 PolarHBondContact O-N 3.23Å; V436-A438 PolarHBondContact O-N 3.47Å; V436-A438 VanDerWaalsContact O-N 3.08Å; V436-W467 HydrophobicContact CG1-CH2 4.28Å; V436-W467 HydrophobicContact CG1-CZ3 3.89Å; V436-K472 HydrophobicContact CG2-CB 4.11Å
437	V	94.4	Very high	93.9	Very high	58 Å²	58	42.3 Å²	42.3	35%	0.352	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	100.6	166.3	-178.4	0	0	0	0	107.6	F392 T421	F392-V437 HydrophobicContact CE1-CG2 4.23Å; T421-V437 HydrophobicContact CG2-CG2 4.29Å
438	A	93.5	Very high	94.1	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.			trans	-90.5	-37	-164.3	0	0	0	0	0	112.8	R420 I422 V436 V443 R465 W467	R420-A438 PolarHBondContact O-N 2.92Å; I422-A438 HydrophobicContact CB-CB 4.2Å; I422-A438 HydrophobicContact CD1-CB 3.44Å; I422-A438 VanDerWaalsContact CD1-CB 3.44Å; I422-A438 HydrophobicContact CG1-CB 3.53Å; V436-A438 PolarHBondContact O-N 3.47Å; V436-A438 VanDerWaalsContact O-N 3.08Å; A438-V443 HydrophobicContact CB-CG2 4.11Å; A438-R465 WeakPolarHBondContact O-CD 3.04Å; A438-R465 PolarHBondContact O-NE 2.62Å; A438-R465 PolarHBondContact O-NH1 2.94Å; A438-W467 HydrophobicContact CB-CH2 3.99Å; A438-W467 HydrophobicContact CB-CZ2 3.66Å; A438-W467 VanDerWaalsContact O-CZ2 3.28Å; A438-W467 WeakPolarHBondContact O-CZ2 3.44Å
439	H	95.8	Very high	94.2	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.023	21%	0.207	C	C	.	.			trans	-135.7	173.8	-172.4	-79.7	-89.6	0	0	0	112.1	R420 D441 V443 S457 S459 D461 S463 R465	R420-H439 WeakPolarHBondContact CB-O 3.26Å; R420-H439 PolarHBondContact O-N 3.04Å; H439-D441 VanDerWaalsContact C-N 3.32Å; H439-D441 WeakPolarHBondContact CB-O 3.26Å; H439-V443 HydrophobicContact CB-CG2 4.22Å; H439-S457 PolarHBondContact NE2-OG 2.93Å; H439-S459 WeakPolarHBondContact CB-OG 3.44Å; H439-S459 VanDerWaalsContact ND1-CB 3.26Å; H439-S459 WeakPolarHBondContact ND1-CB 3.32Å; H439-D461 WeakPolarHBondContact CB-OD2 3.5Å; H439-D461 IonicContact CG-OD2 3.65Å; H439-D461 IonicContact ND1-OD1 3.12Å; H439-D461 PolarHBondContact ND1-OD1 3.37Å; H439-D461 IonicContact ND1-OD2 2.72Å; H439-D461 PolarHBondContact ND1-OD2 3.48Å; H439-D461 VanDerWaalsContact ND1-OD2 3.12Å; H439-S463 PolarHBondContact CE1-OG 3.48Å; H439-S463 VanDerWaalsContact CE1-OG 3.26Å; H439-S463 PolarHBondContact ND1-OG 3.34Å; H439-R465 VanDerWaalsContact CE1-CD 3.47Å; H439-R465 WeakPolarHBondContact CE1-CD 3.28Å
440	L	95.4	Very high	94.4	Very high	132 Å²	132	38.2 Å²	38.2	69%	0.691	21%	0.209	S	C	*	.	S	Bend	trans	-83.9	-13.9	175	-62.6	-179.4	0	0	0	112.7	R420 D461	R420-L440 VanDerWaalsContact CD-C 3.49Å; R420-L440 WeakPolarHBondContact CD-O 3.45Å; L440-D461 HydrophobicContact CB-CB 4.14Å; L440-D461 PolarHBondContact N-OD2 2.93Å
441	D	95.5	Very high	94.6	Very high	42 Å²	42	42.1 Å²	42.1	23%	0.225	23%	0.229	C	C	.	.	S	Bend	trans	-142.9	177.8	-178.5	-148.6	-21	0	0	0	110.4	R420 H439 V443 S459 H460 D461 K483	R420-D441 WeakPolarHBondContact CB-O 3.49Å; R420-D441 VanDerWaalsContact CG-C 3.47Å; R420-D441 WeakPolarHBondContact CG-O 3.26Å; H439-D441 VanDerWaalsContact C-N 3.32Å; H439-D441 WeakPolarHBondContact CB-O 3.26Å; D441-V443 PolarHBondContact O-N 3.49Å; D441-S459 VanDerWaalsContact C-OG 3.32Å; D441-S459 PolarHBondContact O-OG 3.41Å; D441-H460 HydrophobicContact CB-CB 4.29Å; D441-D461 HydrophobicContact CB-CB 3.78Å; D441-K483 IonicContact OD2-NZ 2.79Å; D441-K483 PolarHBondContact OD2-NZ 3.45Å
442	A	96.1	Very high	94.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.			trans	-46.1	133.4	-176.5	0	0	0	0	0	112.3	E418 T444 S459 H460	E418-A442 VanDerWaalsContact CD-CB 3.44Å; E418-A442 HydrophobicContact CG-CB 4.4Å; E418-A442 WeakPolarHBondContact OE2-CB 3.44Å; A442-T444 HydrophobicContact CB-CG2 4.34Å; A442-S459 WeakPolarHBondContact O-CA 3.34Å; A442-S459 VanDerWaalsContact O-CB 3.23Å; A442-S459 WeakPolarHBondContact O-CB 3.33Å; A442-S459 PolarHBondContact O-OG 3.47Å; A442-H460 PolarHBondContact O-N 3.09Å; A442-H460 VanDerWaalsContact O-N 3.11Å
443	V	98	Very high	95.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	116.7	171.9	-168.8	0	0	0	0	106.5	N402 A416 H417 I422 A438 H439 D441 L446	N402-V443 WeakPolarHBondContact CB-O 3.28Å; N402-V443 PolarHBondContact ND2-O 3.36Å; A416-V443 HydrophobicContact CB-CB 3.84Å; A416-V443 HydrophobicContact CB-CG1 3.56Å; H417-V443 PolarHBondContact O-N 3.41Å; I422-V443 HydrophobicContact CD1-CG1 4.26Å; I422-V443 HydrophobicContact CG1-CG1 4.02Å; I422-V443 HydrophobicContact CG1-CG2 4.2Å; A438-V443 HydrophobicContact CB-CG2 4.11Å; H439-V443 HydrophobicContact CB-CG2 4.22Å; D441-V443 PolarHBondContact O-N 3.49Å; V443-L446 HydrophobicContact CG1-CD2 4.16Å
444	T	97.9	Very high	95.4	Very high	16 Å²	16	31.5 Å²	31.5	10%	0.098	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-26.5	-167	55.6	0	0	0	0	112.1	A442 G458 H460 L489	A442-T444 HydrophobicContact CB-CG2 4.34Å; T444-G458 PolarHBondContact N-O 3.09Å; T444-G458 PolarHBondContact OG1-O 3.25Å; T444-H460 WeakPolarHBondContact CG2-CE1 3.4Å; T444-H460 VanDerWaalsContact CG2-NE2 3.32Å; T444-H460 WeakPolarHBondContact CG2-NE2 3.34Å; T444-L489 WeakPolarHBondContact CB-O 3.39Å; T444-L489 PolarHBondContact OG1-O 3.44Å
445	C	98.4	Very high	95.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151	-177	52.8	0	0	0	0	113.6	S457 G458 F490 V492	C445-S457 WeakPolarHBondContact O-CA 3.26Å; C445-G458 PolarHBondContact N-O 3.12Å; C445-G458 PolarHBondContact O-N 3.3Å; C445-F490 WeakPolarHBondContact CB-O 3.26Å; C445-V492 HydrophobicContact CB-CG2 4.27Å
446	L	98.6	Very high	96.1	Very high	3 Å²	3	27 Å²	27	2%	0.016	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.9	-178.5	-63.7	175.3	0	0	0	110.7	V405 V414 A416 I422 V443 L455 L456	V405-L446 HydrophobicContact CG1-CB 3.99Å; V405-L446 HydrophobicContact CG2-CB 3.76Å; V405-L446 HydrophobicContact CG2-CD1 4.03Å; V414-L446 HydrophobicContact CB-CD1 4.4Å; V414-L446 HydrophobicContact CG1-CD1 3.94Å; A416-L446 HydrophobicContact CB-CD1 3.54Å; A416-L446 HydrophobicContact CB-CD2 4.12Å; A416-L446 HydrophobicContact CB-CG 3.59Å; I422-L446 HydrophobicContact CD1-CD2 3.89Å; I422-L446 HydrophobicContact CG1-CD2 4.25Å; V443-L446 HydrophobicContact CG1-CD2 4.16Å; L446-L455 HydrophobicContact CB-CD1 4.32Å; L446-L455 HydrophobicContact CD2-CD1 4.19Å; L446-L455 HydrophobicContact CD2-CD2 4.29Å; L446-L455 HydrophobicContact CD2-CG 4.39Å; L446-L456 CarbonylContact C-O 3.58Å; L446-L456 WeakPolarHBondContact CA-O 3.5Å
447	S	98.2	Very high	96.4	Very high	23 Å²	23	25.6 Å²	25.6	16%	0.161	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	136.3	166.1	-178.1	0	0	0	0	109.1	L456 V492 F494	S447-L456 PolarHBondContact N-O 3.34Å; S447-L456 PolarHBondContact O-N 3.34Å; S447-V492 WeakPolarHBondContact CB-O 3.42Å; S447-F494 WeakPolarHBondContact O-CE2 3.46Å; S447-F494 PolarHBondContact OG-N 3.45Å
448	I	97.8	Very high	96.6	Very high	22 Å²	22	22.8 Å²	22.8	11%	0.113	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	142.3	175.5	-64.8	171.8	0	0	0	108.2	V405 H407 P408 V414 L455 I469 F494	V405-I448 HydrophobicContact CB-CD1 4.17Å; V405-I448 HydrophobicContact CB-CG1 4.41Å; V405-I448 HydrophobicContact CG2-CD1 3.68Å; V405-I448 HydrophobicContact CG2-CG1 3.83Å; H407-I448 HydrophobicContact CB-CD1 4.33Å; P408-I448 HydrophobicContact CG-CG2 4.33Å; V414-I448 HydrophobicContact CG2-CD1 4.09Å; I448-L455 HydrophobicContact CD1-CD1 4.48Å; I448-L455 HydrophobicContact CG1-CD1 3.61Å; I448-I469 HydrophobicContact CG1-CD1 4.23Å; I448-I469 HydrophobicContact CG2-CD1 3.8Å; I448-F494 VanDerWaalsContact C-CD2 3.47Å
449	D	95.6	Very high	96.8	Very high	7 Å²	7	22.8 Å²	22.8	4%	0.037	13%	0.126	C	C	.	.			trans	-67.7	155.5	175.2	81.3	-56.7	0	0	0	111.1	N451 G452 L453 F454 F494	D449-N451 PolarHBondContact O-N 3.06Å; D449-N451 WeakPolarHBondContact OD2-CB 3.37Å; D449-N451 PolarHBondContact OD2-N 3.47Å; D449-G452 PolarHBondContact O-N 3.44Å; D449-G452 VanDerWaalsContact OD1-C 3.25Å; D449-G452 VanDerWaalsContact OD1-CA 3.31Å; D449-G452 WeakPolarHBondContact OD1-CA 3.47Å; D449-G452 PolarHBondContact OD1-N 2.96Å; D449-L453 PolarHBondContact OD1-N 2.93Å; D449-F454 HydrophobicContact CB-CB 4.24Å; D449-F454 PolarHBondContact N-O 3.28Å; D449-F454 PolarHBondContact OD1-N 3.48Å; D449-F454 VanDerWaalsContact OD1-O 3.08Å; D449-F494 HydrophobicContact CB-CD1 4.02Å; D449-F494 HydrophobicContact CB-CD2 4.07Å; D449-F494 HydrophobicContact CB-CE1 4.08Å; D449-F494 HydrophobicContact CB-CE2 4.08Å; D449-F494 HydrophobicContact CB-CG 4.03Å; D449-F494 HydrophobicContact CB-CZ 4.1Å
450	P	93.7	Very high	96.9	Very high	60 Å²	60	23.6 Å²	23.6	39%	0.39	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.1	-177	-25.3	35.6	0	0	0	114.7	P496	P450-P496 VanDerWaalsContact CG-CA 3.46Å; P450-P496 WeakPolarHBondContact CG-O 3.49Å
451	N	93.7	Very high	97	Very high	87 Å²	87	19 Å²	19	47%	0.465	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-9.4	177.5	-53.7	-57.5	0	0	0	112.9	D449 L453	D449-N451 PolarHBondContact O-N 3.06Å; D449-N451 WeakPolarHBondContact OD2-CB 3.37Å; D449-N451 PolarHBondContact OD2-N 3.47Å; N451-L453 HydrophobicContact CB-CD1 4.29Å; N451-L453 HydrophobicContact CB-CG 4.16Å
452	G	94.6	Very high	97.1	Very high	3 Å²	3	17 Å²	17	3%	0.031	10%	0.096	C	C	.	.	S	Bend	trans	74.9	17	-179.4	0	0	0	0	0	115.3	H407 D449	H407-G452 VanDerWaalsContact NE2-CA 3.34Å; H407-G452 WeakPolarHBondContact NE2-CA 3.31Å; H407-G452 PolarHBondContact NE2-O 3.07Å; D449-G452 PolarHBondContact O-N 3.44Å; D449-G452 VanDerWaalsContact OD1-C 3.25Å; D449-G452 VanDerWaalsContact OD1-CA 3.31Å; D449-G452 WeakPolarHBondContact OD1-CA 3.47Å; D449-G452 PolarHBondContact OD1-N 2.96Å
453	L	95.9	Very high	97.1	Very high	67 Å²	67	17.2 Å²	17.2	35%	0.351	10%	0.097	S	C	.	.	S	Bend	trans	-92.2	-27.8	-178.7	-59.3	179.6	0	0	0	113.3	D449 N451 I469	D449-L453 PolarHBondContact OD1-N 2.93Å; N451-L453 HydrophobicContact CB-CD1 4.29Å; N451-L453 HydrophobicContact CB-CG 4.16Å; L453-I469 PolarHBondContact O-N 3.46Å
454	F	96.9	Very high	97.1	Very high	9 Å²	9	17.5 Å²	17.5	4%	0.039	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.3	-171.7	-56.4	-74.3	0	0	0	112.1	L126 D449 L466 W467 L475 F494	L126-F454 HydrophobicContact CB-CE2 4.09Å; L126-F454 HydrophobicContact CB-CZ 4.36Å; L126-F454 HydrophobicContact CD2-CD2 4.08Å; L126-F454 HydrophobicContact CD2-CE2 3.67Å; L126-F454 HydrophobicContact CD2-CZ 4.1Å; L126-F454 HydrophobicContact CG-CE2 4.37Å; D449-F454 HydrophobicContact CB-CB 4.24Å; D449-F454 PolarHBondContact N-O 3.28Å; D449-F454 PolarHBondContact OD1-N 3.48Å; D449-F454 VanDerWaalsContact OD1-O 3.08Å; F454-L466 HydrophobicContact CB-CD1 3.92Å; F454-L466 HydrophobicContact CG-CD1 4.46Å; F454-W467 VanDerWaalsContact CA-O 3.23Å; F454-W467 WeakPolarHBondContact CA-O 3.33Å; F454-L475 HydrophobicContact CD1-CD1 3.71Å; F454-L475 HydrophobicContact CE1-CD1 3.5Å; F454-F494 HydrophobicContact CB-CZ 4.12Å
455	L	98.1	Very high	97.1	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134	173	176.4	75.6	0	0	0	108.6	V405 V414 I422 F424 L446 I448 W467 I469	V405-L455 HydrophobicContact CG2-CD1 4.28Å; V414-L455 HydrophobicContact CG1-CD1 4.39Å; V414-L455 HydrophobicContact CG1-CD2 3.92Å; I422-L455 HydrophobicContact CD1-CD2 4.13Å; I422-L455 HydrophobicContact CG2-CD2 4.04Å; F424-L455 HydrophobicContact CE1-CD2 4.49Å; F424-L455 HydrophobicContact CZ-CD2 4.09Å; L446-L455 HydrophobicContact CB-CD1 4.32Å; L446-L455 HydrophobicContact CD2-CD1 4.19Å; L446-L455 HydrophobicContact CD2-CD2 4.29Å; L446-L455 HydrophobicContact CD2-CG 4.39Å; I448-L455 HydrophobicContact CD1-CD1 4.48Å; I448-L455 HydrophobicContact CG1-CD1 3.61Å; L455-W467 HydrophobicContact CB-CB 4.2Å; L455-W467 PolarHBondContact N-O 2.7Å; L455-W467 PolarHBondContact O-N 2.86Å; L455-I469 HydrophobicContact CB-CD1 4.05Å; L455-I469 HydrophobicContact CB-CG1 3.73Å
456	L	98.4	Very high	97.1	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.2	171.3	-174.1	62.7	0	0	0	108	L446 S447 L464 R465 V492 F494 I501	L446-L456 CarbonylContact C-O 3.58Å; L446-L456 WeakPolarHBondContact CA-O 3.5Å; S447-L456 PolarHBondContact N-O 3.34Å; S447-L456 PolarHBondContact O-N 3.34Å; L456-L464 HydrophobicContact CD1-CB 4.34Å; L456-L464 HydrophobicContact CD1-CD2 4.11Å; L456-L464 HydrophobicContact CD2-CD2 4.28Å; L456-L464 HydrophobicContact CG-CD2 4.36Å; L456-R465 WeakPolarHBondContact CA-O 3.29Å; L456-V492 HydrophobicContact CB-CG2 4.48Å; L456-V492 HydrophobicContact CD2-CB 3.78Å; L456-V492 HydrophobicContact CD2-CG1 4.41Å; L456-V492 HydrophobicContact CD2-CG2 4.3Å; L456-V492 HydrophobicContact CG-CB 4.02Å; L456-V492 HydrophobicContact CG-CG1 4.42Å; L456-V492 HydrophobicContact CG-CG2 4.13Å; L456-F494 HydrophobicContact CB-CD2 4.13Å; L456-F494 HydrophobicContact CB-CE2 3.38Å; L456-F494 HydrophobicContact CB-CZ 3.77Å; L456-I501 HydrophobicContact CD1-CD1 4.1Å; L456-I501 HydrophobicContact CD2-CB 3.95Å; L456-I501 HydrophobicContact CD2-CD1 4.05Å; L456-I501 HydrophobicContact CD2-CG2 4.19Å
457	S	98.6	Very high	97	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.7	174.7	64.4	0	0	0	0	111.2	H439 C445 L464 R465 W467	H439-S457 PolarHBondContact NE2-OG 2.93Å; C445-S457 WeakPolarHBondContact O-CA 3.26Å; S457-L464 CarbonylContact O-C 3.57Å; S457-L464 VanDerWaalsContact O-CA 3.29Å; S457-L464 WeakPolarHBondContact O-CA 3.31Å; S457-R465 PolarHBondContact N-O 3.33Å; S457-R465 PolarHBondContact O-N 2.95Å; S457-W467 PolarHBondContact OG-NE1 3.14Å
458	G	98.3	Very high	96.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149	170.2	0	0	0	0	0	111.1	T444 C445	T444-G458 PolarHBondContact N-O 3.09Å; T444-G458 PolarHBondContact OG1-O 3.25Å; C445-G458 PolarHBondContact N-O 3.12Å; C445-G458 PolarHBondContact O-N 3.3Å
459	S	98.4	Very high	96.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	159.6	-176.7	172.1	0	0	0	0	113	H439 D441 A442 D461 G462 S463 L489	H439-S459 WeakPolarHBondContact CB-OG 3.44Å; H439-S459 VanDerWaalsContact ND1-CB 3.26Å; H439-S459 WeakPolarHBondContact ND1-CB 3.32Å; D441-S459 VanDerWaalsContact C-OG 3.32Å; D441-S459 PolarHBondContact O-OG 3.41Å; A442-S459 WeakPolarHBondContact O-CA 3.34Å; A442-S459 VanDerWaalsContact O-CB 3.23Å; A442-S459 WeakPolarHBondContact O-CB 3.33Å; A442-S459 PolarHBondContact O-OG 3.47Å; S459-D461 WeakPolarHBondContact CB-OD1 3.43Å; S459-D461 PolarHBondContact O-N 3.43Å; S459-D461 PolarHBondContact OG-N 3.27Å; S459-D461 VanDerWaalsContact OG-N 3.09Å; S459-G462 PolarHBondContact O-N 3.45Å; S459-G462 VanDerWaalsContact O-N 3.15Å; S459-S463 PolarHBondContact N-O 3.04Å; S459-L489 WeakPolarHBondContact O-CD1 3.32Å; S459-L489 PolarHBondContact O-N 3.39Å
460	H	98	Very high	96.8	Very high	22 Å²	22	23.3 Å²	23.3	10%	0.102	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.6	166.8	-74	-22.7	0	0	0	114	D441 A442 T444 G462 K483 S488 F490	D441-H460 HydrophobicContact CB-CB 4.29Å; A442-H460 PolarHBondContact O-N 3.09Å; A442-H460 VanDerWaalsContact O-N 3.11Å; T444-H460 WeakPolarHBondContact CG2-CE1 3.4Å; T444-H460 VanDerWaalsContact CG2-NE2 3.32Å; T444-H460 WeakPolarHBondContact CG2-NE2 3.34Å; H460-G462 PolarHBondContact O-N 3.18Å; H460-G462 VanDerWaalsContact O-N 3.16Å; H460-K483 WeakPolarHBondContact O-CE 3.39Å; H460-K483 WeakPolarHBondContact O-CG 3.31Å; H460-K483 PolarHBondContact O-NZ 3.31Å; H460-S488 PolarHBondContact ND1-N 3.46Å; H460-S488 WeakPolarHBondContact O-CB 3.02Å; H460-F490 AromaticContact CE1-CE1 3.75Å
461	D	97.4	Very high	96.8	Very high	34 Å²	34	23.5 Å²	23.5	18%	0.182	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-8.2	169.4	70.4	16.1	0	0	0	113.7	H439 L440 D441 S459 S463	H439-D461 WeakPolarHBondContact CB-OD2 3.5Å; H439-D461 IonicContact CG-OD2 3.65Å; H439-D461 IonicContact ND1-OD1 3.12Å; H439-D461 PolarHBondContact ND1-OD1 3.37Å; H439-D461 IonicContact ND1-OD2 2.72Å; H439-D461 PolarHBondContact ND1-OD2 3.48Å; H439-D461 VanDerWaalsContact ND1-OD2 3.12Å; L440-D461 HydrophobicContact CB-CB 4.14Å; L440-D461 PolarHBondContact N-OD2 2.93Å; D441-D461 HydrophobicContact CB-CB 3.78Å; S459-D461 WeakPolarHBondContact CB-OD1 3.43Å; S459-D461 PolarHBondContact O-N 3.43Å; S459-D461 PolarHBondContact OG-N 3.27Å; S459-D461 VanDerWaalsContact OG-N 3.09Å; D461-S463 VanDerWaalsContact CG-OG 3.27Å; D461-S463 WeakPolarHBondContact OD1-CA 3.47Å; D461-S463 VanDerWaalsContact OD1-CB 3.26Å; D461-S463 WeakPolarHBondContact OD1-CB 3.47Å; D461-S463 PolarHBondContact OD1-N 3.07Å; D461-S463 PolarHBondContact OD1-OG 3.15Å; D461-S463 PolarHBondContact OD2-OG 3.09Å
462	G	96.9	Very high	96.8	Very high	2 Å²	2	21.1 Å²	21.1	2%	0.021	11%	0.112	C	C	.	.	S	Bend	trans	86.9	2.5	178.5	0	0	0	0	0	114.5	S459 H460 A480 H481 S488 L489	S459-G462 PolarHBondContact O-N 3.45Å; S459-G462 VanDerWaalsContact O-N 3.15Å; H460-G462 PolarHBondContact O-N 3.18Å; H460-G462 VanDerWaalsContact O-N 3.16Å; G462-A480 PolarHBondContact O-N 3.06Å; G462-H481 WeakPolarHBondContact CA-O 3.49Å; G462-H481 PolarHBondContact O-N 2.94Å; G462-S488 WeakPolarHBondContact CA-OG 2.95Å; G462-L489 VanDerWaalsContact C-CD1 3.46Å
463	S	97	Very high	96.8	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	149.5	178.6	75.3	0	0	0	0	113.1	H439 S459 D461 T478	H439-S463 PolarHBondContact CE1-OG 3.48Å; H439-S463 VanDerWaalsContact CE1-OG 3.26Å; H439-S463 PolarHBondContact ND1-OG 3.34Å; S459-S463 PolarHBondContact N-O 3.04Å; D461-S463 VanDerWaalsContact CG-OG 3.27Å; D461-S463 WeakPolarHBondContact OD1-CA 3.47Å; D461-S463 VanDerWaalsContact OD1-CB 3.26Å; D461-S463 WeakPolarHBondContact OD1-CB 3.47Å; D461-S463 PolarHBondContact OD1-N 3.07Å; D461-S463 PolarHBondContact OD1-OG 3.15Å; D461-S463 PolarHBondContact OD2-OG 3.09Å; S463-T478 CarbonylContact C-O 3.58Å; S463-T478 WeakPolarHBondContact CA-O 3.46Å
464	L	97.3	Very high	96.8	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.031	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	144.3	158.1	-71.7	84.5	0	0	0	109.2	L456 S457 E477 T478 A480 L489 V492 S503 F513	L456-L464 HydrophobicContact CD1-CB 4.34Å; L456-L464 HydrophobicContact CD1-CD2 4.11Å; L456-L464 HydrophobicContact CD2-CD2 4.28Å; L456-L464 HydrophobicContact CG-CD2 4.36Å; S457-L464 CarbonylContact O-C 3.57Å; S457-L464 VanDerWaalsContact O-CA 3.29Å; S457-L464 WeakPolarHBondContact O-CA 3.31Å; L464-E477 CarbonylContact O-C 3.59Å; L464-E477 WeakPolarHBondContact O-CA 3.33Å; L464-T478 PolarHBondContact N-O 2.87Å; L464-T478 PolarHBondContact O-N 3.4Å; L464-A480 HydrophobicContact CD1-CB 3.11Å; L464-L489 HydrophobicContact CD1-CD1 4.25Å; L464-L489 HydrophobicContact CD1-CD2 3.38Å; L464-L489 HydrophobicContact CD1-CG 4.37Å; L464-L489 HydrophobicContact CD2-CD2 4.24Å; L464-L489 HydrophobicContact CG-CD2 3.52Å; L464-V492 HydrophobicContact CD2-CG1 3.67Å; L464-V492 HydrophobicContact CG-CG1 4.12Å; L464-S503 VanDerWaalsContact CD2-CB 3.49Å; L464-F513 HydrophobicContact CD1-CZ 4.25Å; L464-F513 HydrophobicContact CD2-CE2 4.42Å
465	R	97.6	Very high	96.7	Very high	35 Å²	35	24.6 Å²	24.6	13%	0.132	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.8	172.8	-68.6	177.1	-177.6	-151.2	-8.6	111.1	A438 H439 L456 S457 W467 Q476 E477	A438-R465 WeakPolarHBondContact O-CD 3.04Å; A438-R465 PolarHBondContact O-NE 2.62Å; A438-R465 PolarHBondContact O-NH1 2.94Å; H439-R465 VanDerWaalsContact CE1-CD 3.47Å; H439-R465 WeakPolarHBondContact CE1-CD 3.28Å; L456-R465 WeakPolarHBondContact CA-O 3.29Å; S457-R465 PolarHBondContact N-O 3.33Å; S457-R465 PolarHBondContact O-N 2.95Å; R465-W467 HydrophobicContact CB-CZ2 3.88Å; R465-W467 VanDerWaalsContact CB-NE1 3.32Å; R465-W467 HydrophobicContact CG-CZ2 4.4Å; R465-W467 PolarHBondContact O-NE1 2.96Å; R465-Q476 CarbonylContact C-O 3.46Å; R465-Q476 VanDerWaalsContact CA-O 3.27Å; R465-Q476 WeakPolarHBondContact CA-O 3.47Å; R465-E477 HydrophobicContact CG-CB 4.13Å; R465-E477 HydrophobicContact CG-CG 4.06Å; R465-E477 IonicContact CZ-OE1 2.96Å; R465-E477 IonicContact CZ-OE2 3.08Å; R465-E477 IonicContact NE-OE1 3.66Å; R465-E477 IonicContact NE-OE2 2.64Å; R465-E477 IonicContact NH2-OE1 3.43Å; R465-E477 PolarHBondContact NH2-OE1 2.87Å; R465-E477 IonicContact NH2-OE2 3.96Å; R465-E477 PolarHBondContact NH2-OE2 3.17Å; R465-E477 VanDerWaalsContact NH2-OE2 3.13Å
466	L	97.5	Very high	96.6	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.042	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.8	172.6	-178.9	68.9	0	0	0	108.6	F454 L475 Q476 F494	F454-L466 HydrophobicContact CB-CD1 3.92Å; F454-L466 HydrophobicContact CG-CD1 4.46Å; L466-L475 HydrophobicContact CD2-CD1 4.5Å; L466-L475 PolarHBondContact O-N 3.33Å; L466-Q476 HydrophobicContact CB-CB 4.28Å; L466-Q476 PolarHBondContact N-O 3.41Å; L466-Q476 PolarHBondContact O-N 2.94Å; L466-F494 HydrophobicContact CD1-CE1 4.24Å; L466-F494 HydrophobicContact CD1-CZ 3.66Å
467	W	97.6	Very high	96.4	Very high	16 Å²	16	30.2 Å²	30.2	6%	0.061	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	145.7	-176	-53.6	81.6	0	0	0	110.5	V436 A438 F454 L455 S457 R465 T473 C474	V436-W467 HydrophobicContact CG1-CH2 4.28Å; V436-W467 HydrophobicContact CG1-CZ3 3.89Å; A438-W467 HydrophobicContact CB-CH2 3.99Å; A438-W467 HydrophobicContact CB-CZ2 3.66Å; A438-W467 VanDerWaalsContact O-CZ2 3.28Å; A438-W467 WeakPolarHBondContact O-CZ2 3.44Å; F454-W467 VanDerWaalsContact CA-O 3.23Å; F454-W467 WeakPolarHBondContact CA-O 3.33Å; L455-W467 HydrophobicContact CB-CB 4.2Å; L455-W467 PolarHBondContact N-O 2.7Å; L455-W467 PolarHBondContact O-N 2.86Å; S457-W467 PolarHBondContact OG-NE1 3.14Å; R465-W467 HydrophobicContact CB-CZ2 3.88Å; R465-W467 VanDerWaalsContact CB-NE1 3.32Å; R465-W467 HydrophobicContact CG-CZ2 4.4Å; R465-W467 PolarHBondContact O-NE1 2.96Å; W467-T473 CarbonylContact C-O 3.59Å; W467-T473 VanDerWaalsContact CA-O 3.25Å; W467-T473 WeakPolarHBondContact CA-O 3.42Å; W467-C474 HydrophobicContact CD2-CB 4.14Å; W467-C474 HydrophobicContact CE3-CB 3.72Å; W467-C474 HydrophobicContact CH2-CB 3.76Å; W467-C474 HydrophobicContact CZ2-CB 4.2Å; W467-C474 HydrophobicContact CZ3-CB 3.53Å
468	N	96.1	Very high	96.3	Very high	22 Å²	22	31.8 Å²	31.8	12%	0.118	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	123.5	162.7	177.7	-84.2	0	0	0	108.6	D470 S471 K472 T473 L475	N468-D470 PolarHBondContact OD1-N 2.99Å; N468-S471 WeakPolarHBondContact CB-OG 3.29Å; N468-S471 VanDerWaalsContact CG-OG 3.25Å; N468-S471 WeakPolarHBondContact OD1-CB 3.25Å; N468-S471 PolarHBondContact OD1-N 3Å; N468-S471 PolarHBondContact OD1-OG 3.46Å; N468-K472 VanDerWaalsContact O-CA 3.28Å; N468-K472 WeakPolarHBondContact O-CA 3.19Å; N468-K472 PolarHBondContact O-N 3.45Å; N468-T473 PolarHBondContact N-O 2.71Å; N468-L475 HydrophobicContact CB-CD1 4.04Å; N468-L475 HydrophobicContact CB-CD2 4.17Å; N468-L475 HydrophobicContact CB-CG 4.16Å
469	I	95.5	Very high	96.2	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.015	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-43.9	-175	-70.9	177.3	0	0	0	110.9	I448 L453 L455 K472	I448-I469 HydrophobicContact CG1-CD1 4.23Å; I448-I469 HydrophobicContact CG2-CD1 3.8Å; L453-I469 PolarHBondContact O-N 3.46Å; L455-I469 HydrophobicContact CB-CD1 4.05Å; L455-I469 HydrophobicContact CB-CG1 3.73Å; I469-K472 WeakPolarHBondContact O-CD 3.35Å; I469-K472 WeakPolarHBondContact O-CE 3.47Å; I469-K472 PolarHBondContact O-NZ 3.44Å
470	D	94.6	Very high	95.9	Very high	110 Å²	110	37.6 Å²	37.6	59%	0.588	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-52.7	-175.1	-66.9	-30.4	0	0	0	112.4	N468 K472	N468-D470 PolarHBondContact OD1-N 2.99Å; D470-K472 VanDerWaalsContact C-N 3.35Å
471	S	94.5	Very high	95.9	Very high	64 Å²	64	36.9 Å²	36.9	45%	0.448	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.3	-177.9	64.3	0	0	0	0	114	N468 T473	N468-S471 WeakPolarHBondContact CB-OG 3.29Å; N468-S471 VanDerWaalsContact CG-OG 3.25Å; N468-S471 WeakPolarHBondContact OD1-CB 3.25Å; N468-S471 PolarHBondContact OD1-N 3Å; N468-S471 PolarHBondContact OD1-OG 3.46Å; S471-T473 WeakPolarHBondContact O-CG2 3.35Å; S471-T473 PolarHBondContact O-N 2.88Å; S471-T473 PolarHBondContact OG-OG1 3.07Å
472	K	94.1	Very high	95.8	Very high	37 Å²	37	45 Å²	45	16%	0.161	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	27.3	-178.3	-52	-70.4	-173.2	-65.9	0	113.4	F424 V436 N468 I469 D470	F424-K472 HydrophobicContact CD1-CD 4.27Å; F424-K472 HydrophobicContact CD2-CD 3.88Å; F424-K472 HydrophobicContact CE1-CD 3.89Å; F424-K472 HydrophobicContact CE2-CD 3.48Å; F424-K472 VanDerWaalsContact CE2-CD 3.48Å; F424-K472 HydrophobicContact CG-CD 4.27Å; F424-K472 HydrophobicContact CZ-CD 3.49Å; F424-K472 VanDerWaalsContact CZ-CD 3.49Å; V436-K472 HydrophobicContact CG2-CB 4.11Å; N468-K472 VanDerWaalsContact O-CA 3.28Å; N468-K472 WeakPolarHBondContact O-CA 3.19Å; N468-K472 PolarHBondContact O-N 3.45Å; I469-K472 WeakPolarHBondContact O-CD 3.35Å; I469-K472 WeakPolarHBondContact O-CE 3.47Å; I469-K472 PolarHBondContact O-NZ 3.44Å; D470-K472 VanDerWaalsContact C-N 3.35Å
473	T	94.8	Very high	95.7	Very high	49 Å²	49	49.3 Å²	49.3	30%	0.301	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	142	-177.7	58.8	0	0	0	0	112	W467 N468 S471 L475	W467-T473 CarbonylContact C-O 3.59Å; W467-T473 VanDerWaalsContact CA-O 3.25Å; W467-T473 WeakPolarHBondContact CA-O 3.42Å; N468-T473 PolarHBondContact N-O 2.71Å; S471-T473 WeakPolarHBondContact O-CG2 3.35Å; S471-T473 PolarHBondContact O-N 2.88Å; S471-T473 PolarHBondContact OG-OG1 3.07Å; T473-L475 PolarHBondContact O-N 2.76Å
474	C	95.4	Very high	95.5	Very high	53 Å²	53	52.8 Å²	52.8	36%	0.358	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	117.7	171.2	-177.9	0	0	0	0	109.4	W467	W467-C474 HydrophobicContact CD2-CB 4.14Å; W467-C474 HydrophobicContact CE3-CB 3.72Å; W467-C474 HydrophobicContact CH2-CB 3.76Å; W467-C474 HydrophobicContact CZ2-CB 4.2Å; W467-C474 HydrophobicContact CZ3-CB 3.53Å
475	L	94.9	Very high	95.2	Very high	49 Å²	49	61.1 Å²	61.1	26%	0.257	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-36.5	179.5	-59.1	179.2	0	0	0	112.2	F454 L466 N468 T473	F454-L475 HydrophobicContact CD1-CD1 3.71Å; F454-L475 HydrophobicContact CE1-CD1 3.5Å; L466-L475 HydrophobicContact CD2-CD1 4.5Å; L466-L475 PolarHBondContact O-N 3.33Å; N468-L475 HydrophobicContact CB-CD1 4.04Å; N468-L475 HydrophobicContact CB-CD2 4.17Å; N468-L475 HydrophobicContact CB-CG 4.16Å; T473-L475 PolarHBondContact O-N 2.76Å
476	Q	95.6	Very high	95	Very high	22 Å²	22	64.8 Å²	64.8	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	139.9	-177.9	-179.9	173.1	-17.7	0	0	111	W156 R465 L466 T478	W156-Q476 PolarHBondContact O-NE2 3.06Å; R465-Q476 CarbonylContact C-O 3.46Å; R465-Q476 VanDerWaalsContact CA-O 3.27Å; R465-Q476 WeakPolarHBondContact CA-O 3.47Å; L466-Q476 HydrophobicContact CB-CB 4.28Å; L466-Q476 PolarHBondContact N-O 3.41Å; L466-Q476 PolarHBondContact O-N 2.94Å; Q476-T478 PolarHBondContact NE2-OG1 2.82Å
477	E	95.5	Very high	94.9	Very high	100 Å²	100	67.5 Å²	67.5	47%	0.467	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.5	170.5	178.3	173.6	-170.8	0	0	109.5	L464 R465	L464-E477 CarbonylContact O-C 3.59Å; L464-E477 WeakPolarHBondContact O-CA 3.33Å; R465-E477 HydrophobicContact CG-CB 4.13Å; R465-E477 HydrophobicContact CG-CG 4.06Å; R465-E477 IonicContact CZ-OE1 2.96Å; R465-E477 IonicContact CZ-OE2 3.08Å; R465-E477 IonicContact NE-OE1 3.66Å; R465-E477 IonicContact NE-OE2 2.64Å; R465-E477 IonicContact NH2-OE1 3.43Å; R465-E477 PolarHBondContact NH2-OE1 2.87Å; R465-E477 IonicContact NH2-OE2 3.96Å; R465-E477 PolarHBondContact NH2-OE2 3.17Å; R465-E477 VanDerWaalsContact NH2-OE2 3.13Å
478	T	95.5	Very high	94.9	Very high	32 Å²	32	66.7 Å²	66.7	20%	0.196	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	117.8	179.4	-61.9	0	0	0	0	110.7	S463 L464 Q476 A480 F513	S463-T478 CarbonylContact C-O 3.58Å; S463-T478 WeakPolarHBondContact CA-O 3.46Å; L464-T478 PolarHBondContact N-O 2.87Å; L464-T478 PolarHBondContact O-N 3.4Å; Q476-T478 PolarHBondContact NE2-OG1 2.82Å; T478-A480 PolarHBondContact O-N 3.01Å; T478-F513 HydrophobicContact CG2-CE1 3.99Å
479	T	95.6	Very high	95	Very high	117 Å²	117	65.7 Å²	65.7	72%	0.718	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	113.5	170.3	-46.3	0	0	0	0	109.4
480	A	93.5	Very high	95.2	Very high	5 Å²	5	66.4 Å²	66.4	4%	0.041	33%	0.331	C	S	.	.			trans	-116.8	-43.8	-173.1	0	0	0	0	0	113.6	G462 L464 T478 K511 F513	G462-A480 PolarHBondContact O-N 3.06Å; L464-A480 HydrophobicContact CD1-CB 3.11Å; T478-A480 PolarHBondContact O-N 3.01Å; A480-K511 HydrophobicContact CB-CD 4.45Å; A480-K511 WeakPolarHBondContact O-CD 3.5Å; A480-K511 WeakPolarHBondContact O-CE 3.44Å; A480-K511 PolarHBondContact O-NZ 3.29Å; A480-F513 HydrophobicContact CB-CE1 4.26Å; A480-F513 HydrophobicContact CB-CZ 3.74Å
481	H	96.2	Very high	95.3	Very high	7 Å²	7	61.9 Å²	61.9	3%	0.032	31%	0.308	C	S	.	.			trans	-114.9	150.5	-175	-69	-89.3	0	0	0	110.6	G462 S488 L489 S503 D507 L509	G462-H481 WeakPolarHBondContact CA-O 3.49Å; G462-H481 PolarHBondContact O-N 2.94Å; H481-S488 WeakPolarHBondContact CB-OG 3.46Å; H481-S488 PolarHBondContact O-OG 3.03Å; H481-L489 HydrophobicContact CB-CD1 4.02Å; H481-L489 HydrophobicContact CB-CG 4.39Å; H481-S503 PolarHBondContact CD2-OG 3.14Å; H481-S503 PolarHBondContact NE2-OG 3.22Å; H481-D507 IonicContact CE1-OD1 2.83Å; H481-D507 IonicContact CG-OD1 2.8Å; H481-D507 IonicContact CG-OD2 3.64Å; H481-D507 IonicContact ND1-OD1 3.52Å; H481-D507 PolarHBondContact ND1-OD1 3.02Å; H481-D507 IonicContact ND1-OD2 3.13Å; H481-D507 PolarHBondContact ND1-OD2 3.38Å; H481-L509 PolarHBondContact CE1-O 3.47Å; H481-L509 VanDerWaalsContact CE1-O 3.25Å
482	R	95.3	Very high	95.5	Very high	205 Å²	205	59.1 Å²	59.1	77%	0.774	29%	0.289	S	S	*	.			trans	-82.8	151.5	172	-66.3	-178.9	-178	174.9	1.1	109.2	S488 D507	R482-S488 PolarHBondContact O-OG 3.09Å; R482-D507 HydrophobicContact CB-CB 4.43Å; R482-D507 PolarHBondContact N-OD2 3.44Å
483	K	94.9	Very high	95.7	Very high	93 Å²	93	57.8 Å²	57.8	40%	0.404	28%	0.284	S	S	.	.			trans	-73.3	139.5	169.7	-69.5	-165.2	173.4	-118.7	0	110.9	D441 H460 D486 E487	D441-K483 IonicContact OD2-NZ 2.79Å; D441-K483 PolarHBondContact OD2-NZ 3.45Å; H460-K483 WeakPolarHBondContact O-CE 3.39Å; H460-K483 WeakPolarHBondContact O-CG 3.31Å; H460-K483 PolarHBondContact O-NZ 3.31Å; K483-D486 PolarHBondContact NZ-O 3.34Å; K483-D486 IonicContact NZ-OD1 3.07Å; K483-D486 PolarHBondContact NZ-OD1 3.31Å; K483-E487 CarbonylContact C-O 3.49Å; K483-E487 WeakPolarHBondContact CA-O 3.14Å
484	K	93.8	Very high	95.8	Very high	76 Å²	76	56.7 Å²	56.7	33%	0.33	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-136.3	120.5	169.9	-175.7	-168.8	174.7	-168.2	0	106.8	D167 D486 E487 A506	D167-K484 IonicContact OD1-NZ 3.98Å; D167-K484 PolarHBondContact OD1-NZ 3.2Å; K484-D486 VanDerWaalsContact C-N 3.27Å; K484-D486 PolarHBondContact O-N 3.19Å; K484-E487 PolarHBondContact N-O 2.67Å; K484-E487 PolarHBondContact O-N 3.47Å; K484-E487 VanDerWaalsContact O-N 3.08Å; K484-A506 HydrophobicContact CB-CB 4.02Å; K484-A506 WeakPolarHBondContact CD-O 3.39Å
485	F	91.4	Very high	95.8	Very high	180 Å²	180	54.4 Å²	54.4	79%	0.789	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	40.9	-175.4	-53.3	-65	0	0	0	114.3	E487	F485-E487 PolarHBondContact O-N 2.97Å; F485-E487 VanDerWaalsContact O-N 3.14Å
486	D	92.8	Very high	95.7	Very high	113 Å²	113	54.5 Å²	54.5	60%	0.604	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	-6.9	-175.6	-150	18.7	0	0	0	116.2	K483 K484	K483-D486 PolarHBondContact NZ-O 3.34Å; K483-D486 IonicContact NZ-OD1 3.07Å; K483-D486 PolarHBondContact NZ-OD1 3.31Å; K484-D486 VanDerWaalsContact C-N 3.27Å; K484-D486 PolarHBondContact O-N 3.19Å
487	E	96.4	Very high	95.4	Very high	64 Å²	64	56.2 Å²	56.2	30%	0.299	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-90.5	154.2	172.2	-59.9	178.2	138.4	0	0	111.1	K483 K484 F485 F490 A506	K483-E487 CarbonylContact C-O 3.49Å; K483-E487 WeakPolarHBondContact CA-O 3.14Å; K484-E487 PolarHBondContact N-O 2.67Å; K484-E487 PolarHBondContact O-N 3.47Å; K484-E487 VanDerWaalsContact O-N 3.08Å; F485-E487 PolarHBondContact O-N 2.97Å; F485-E487 VanDerWaalsContact O-N 3.14Å; E487-F490 HydrophobicContact CB-CE1 4.17Å; E487-F490 HydrophobicContact CB-CZ 3.8Å; E487-F490 HydrophobicContact CG-CE1 4.42Å; E487-F490 HydrophobicContact CG-CZ 4.28Å; E487-F490 WeakPolarHBondContact OE2-CZ 3.42Å; E487-A506 HydrophobicContact CB-CB 4.18Å
488	S	97.4	Very high	95	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.273	C	S	.	.			trans	-142.7	-83.8	175	-161.3	0	0	0	0	113.7	H460 G462 H481 R482 G505 A506	H460-S488 PolarHBondContact ND1-N 3.46Å; H460-S488 WeakPolarHBondContact O-CB 3.02Å; G462-S488 WeakPolarHBondContact CA-OG 2.95Å; H481-S488 WeakPolarHBondContact CB-OG 3.46Å; H481-S488 PolarHBondContact O-OG 3.03Å; R482-S488 PolarHBondContact O-OG 3.09Å; S488-G505 CarbonylContact O-C 3.5Å; S488-G505 WeakPolarHBondContact O-CA 3.39Å; S488-A506 PolarHBondContact O-N 3.39Å
489	L	98.1	Very high	94.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	141.7	177.1	-83.3	94.7	0	0	0	112.1	T444 S459 G462 L464 H481 V492	T444-L489 WeakPolarHBondContact CB-O 3.39Å; T444-L489 PolarHBondContact OG1-O 3.44Å; S459-L489 WeakPolarHBondContact O-CD1 3.32Å; S459-L489 PolarHBondContact O-N 3.39Å; G462-L489 VanDerWaalsContact C-CD1 3.46Å; L464-L489 HydrophobicContact CD1-CD1 4.25Å; L464-L489 HydrophobicContact CD1-CD2 3.38Å; L464-L489 HydrophobicContact CD1-CG 4.37Å; L464-L489 HydrophobicContact CD2-CD2 4.24Å; L464-L489 HydrophobicContact CG-CD2 3.52Å; H481-L489 HydrophobicContact CB-CD1 4.02Å; H481-L489 HydrophobicContact CB-CG 4.39Å; L489-V492 HydrophobicContact CD2-CG1 3.81Å
490	F	98.3	Very high	94.6	Very high	19 Å²	19	51.4 Å²	51.4	8%	0.083	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-25.9	172.2	-67.8	-54.3	0	0	0	113.4	C168 C445 H460 E487 A504 A506	C168-F490 HydrophobicContact CB-CD2 4.39Å; C168-F490 HydrophobicContact CB-CE2 3.82Å; C445-F490 WeakPolarHBondContact CB-O 3.26Å; H460-F490 AromaticContact CE1-CE1 3.75Å; E487-F490 HydrophobicContact CB-CE1 4.17Å; E487-F490 HydrophobicContact CB-CZ 3.8Å; E487-F490 HydrophobicContact CG-CE1 4.42Å; E487-F490 HydrophobicContact CG-CZ 4.28Å; E487-F490 WeakPolarHBondContact OE2-CZ 3.42Å; F490-A504 PolarHBondContact N-O 2.94Å; F490-A506 HydrophobicContact CD2-CB 4.42Å; F490-A506 HydrophobicContact CE2-CB 3.58Å; F490-A506 HydrophobicContact CZ-CB 4.07Å
491	S	98.3	Very high	94.7	Very high	14 Å²	14	51.4 Å²	51.4	10%	0.098	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	145.4	-177.5	-166.3	0	0	0	0	112.4	R170 I172 S503 A504	R170-S491 WeakPolarHBondContact O-CB 3.24Å; I172-S491 PolarHBondContact N-OG 3.24Å; I172-S491 VanDerWaalsContact N-OG 3.13Å; S491-S503 CarbonylContact O-C 3.54Å; S491-S503 WeakPolarHBondContact O-CA 3.37Å; S491-A504 PolarHBondContact N-O 3.28Å; S491-A504 PolarHBondContact O-N 2.94Å
492	V	98.3	Very high	94.8	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.5	175.1	-65.3	0	0	0	0	109.1	C445 S447 L456 L464 L489 A502	C445-V492 HydrophobicContact CB-CG2 4.27Å; S447-V492 WeakPolarHBondContact CB-O 3.42Å; L456-V492 HydrophobicContact CB-CG2 4.48Å; L456-V492 HydrophobicContact CD2-CB 3.78Å; L456-V492 HydrophobicContact CD2-CG1 4.41Å; L456-V492 HydrophobicContact CD2-CG2 4.3Å; L456-V492 HydrophobicContact CG-CB 4.02Å; L456-V492 HydrophobicContact CG-CG1 4.42Å; L456-V492 HydrophobicContact CG-CG2 4.13Å; L464-V492 HydrophobicContact CD2-CG1 3.67Å; L464-V492 HydrophobicContact CG-CG1 4.12Å; L489-V492 HydrophobicContact CD2-CG1 3.81Å; V492-A502 CarbonylContact C-O 3.6Å; V492-A502 VanDerWaalsContact CA-O 3.29Å; V492-A502 WeakPolarHBondContact CA-O 3.46Å
493	A	98	Very high	94.9	Very high	9 Å²	9	41.3 Å²	41.3	7%	0.074	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	138.1	179.4	0	0	0	0	0	112.2	I172 F174 I501 A502	I172-A493 HydrophobicContact CG2-CB 4.27Å; F174-A493 HydrophobicContact CD2-CB 4.03Å; F174-A493 HydrophobicContact CE2-CB 4.28Å; A493-I501 CarbonylContact O-C 3.38Å; A493-I501 VanDerWaalsContact O-CA 3.27Å; A493-I501 WeakPolarHBondContact O-CA 3.34Å; A493-A502 PolarHBondContact N-O 3.02Å; A493-A502 PolarHBondContact O-N 3.1Å
494	F	96.7	Very high	95.1	Very high	26 Å²	26	36.9 Å²	36.9	11%	0.114	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.2	160	-77.8	-80.5	0	0	0	111.1	S447 I448 D449 F454 L456 L466 I501	S447-F494 WeakPolarHBondContact O-CE2 3.46Å; S447-F494 PolarHBondContact OG-N 3.45Å; I448-F494 VanDerWaalsContact C-CD2 3.47Å; D449-F494 HydrophobicContact CB-CD1 4.02Å; D449-F494 HydrophobicContact CB-CD2 4.07Å; D449-F494 HydrophobicContact CB-CE1 4.08Å; D449-F494 HydrophobicContact CB-CE2 4.08Å; D449-F494 HydrophobicContact CB-CG 4.03Å; D449-F494 HydrophobicContact CB-CZ 4.1Å; F454-F494 HydrophobicContact CB-CZ 4.12Å; L456-F494 HydrophobicContact CB-CD2 4.13Å; L456-F494 HydrophobicContact CB-CE2 3.38Å; L456-F494 HydrophobicContact CB-CZ 3.77Å; L466-F494 HydrophobicContact CD1-CE1 4.24Å; L466-F494 HydrophobicContact CD1-CZ 3.66Å; F494-I501 HydrophobicContact CD1-CG2 3.32Å; F494-I501 HydrophobicContact CE1-CG2 3.46Å; F494-I501 VanDerWaalsContact CE1-CG2 3.46Å; F494-I501 HydrophobicContact CG-CG2 4.12Å; F494-I501 HydrophobicContact CZ-CG2 4.37Å
495	H	95.2	Very high	95.2	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.019	17%	0.17	C	C	.	.			trans	-72.8	138.8	165.2	-172.6	-59.1	0	0	0	109.7	F174 S497 R498 I500	F174-H495 HydrophobicContact CD1-CB 4.36Å; F174-H495 AromaticContact CD1-CD2 3.67Å; F174-H495 HydrophobicContact CD2-CB 3.89Å; F174-H495 HydrophobicContact CE2-CB 4.1Å; F174-H495 HydrophobicContact CG-CB 4.02Å; F174-H495 AromaticContact CG-CD2 3.95Å; F174-H495 HydrophobicContact CZ-CB 4.43Å; H495-S497 PolarHBondContact CE1-OG 3.45Å; H495-S497 VanDerWaalsContact CE1-OG 3.3Å; H495-S497 PolarHBondContact ND1-N 3.45Å; H495-S497 PolarHBondContact ND1-OG 3.3Å; H495-S497 PolarHBondContact O-N 3.01Å; H495-R498 HydrophobicContact CB-CB 4.39Å; H495-R498 PolarHBondContact ND1-N 3.05Å; H495-I500 HydrophobicContact CB-CB 4.01Å; H495-I500 VanDerWaalsContact CB-O 3.29Å; H495-I500 WeakPolarHBondContact CB-O 3.43Å; H495-I500 PolarHBondContact N-O 3.28Å
496	P	92.8	Very high	95.5	Very high	51 Å²	51	24.7 Å²	24.7	33%	0.331	13%	0.133	S	C	.	.	S	Bend	trans	-64.9	-5.8	-173.9	18.1	-30.5	0	0	0	116.8	P176 P450	P176-P496 WeakPolarHBondContact O-CG 3.45Å; P450-P496 VanDerWaalsContact CG-CA 3.46Å; P450-P496 WeakPolarHBondContact CG-O 3.49Å
497	S	89.2	Confident	95.7	Very high	59 Å²	59	21.4 Å²	21.4	41%	0.413	12%	0.115	S	C	.	.	S	Bend	trans	-162.3	-18.6	-169.3	60.3	0	0	0	0	114.4	F123 H495	F123-S497 VanDerWaalsContact CE2-O 3.23Å; F123-S497 WeakPolarHBondContact CE2-O 3.45Å; F123-S497 VanDerWaalsContact CZ-O 3.31Å; F123-S497 WeakPolarHBondContact CZ-O 3.48Å; H495-S497 PolarHBondContact CE1-OG 3.45Å; H495-S497 VanDerWaalsContact CE1-OG 3.3Å; H495-S497 PolarHBondContact ND1-N 3.45Å; H495-S497 PolarHBondContact ND1-OG 3.3Å; H495-S497 PolarHBondContact O-N 3.01Å
498	R	88.2	Confident	95.7	Very high	97 Å²	97	18.7 Å²	18.7	37%	0.366	10%	0.104	S	C	.	.	S	Bend	trans	-106.6	150.1	177.5	-59.1	-179.8	-175.3	-136.9	-2.1	109.3	H495 I500	H495-R498 HydrophobicContact CB-CB 4.39Å; H495-R498 PolarHBondContact ND1-N 3.05Å; R498-I500 HydrophobicContact CB-CD1 3.89Å; R498-I500 HydrophobicContact CB-CG1 3.83Å; R498-I500 PolarHBondContact O-N 3.5Å
499	P	90.2	Very high	95.6	Very high	43 Å²	43	20.3 Å²	20.3	28%	0.279	11%	0.113	S	C	.	.	S	Bend	trans	-75	71.4	171.7	33.2	-35	0	0	0	109.2	W156	W156-P499 HydrophobicContact CH2-CB 3.94Å; W156-P499 WeakPolarHBondContact CH2-O 3.37Å; W156-P499 VanDerWaalsContact CZ3-C 3.49Å; W156-P499 WeakPolarHBondContact CZ3-O 3.46Å
500	I	92.5	Very high	95.5	Very high	7 Å²	7	20.4 Å²	20.4	4%	0.036	11%	0.113	C	C	.	.			trans	-136.5	133.4	179	-52.2	-179.4	0	0	0	107.1	F174 L199 H495 R498 I512 M514	F174-I500 HydrophobicContact CE1-CG2 4.09Å; F174-I500 HydrophobicContact CZ-CB 4.43Å; F174-I500 HydrophobicContact CZ-CG2 3.69Å; L199-I500 HydrophobicContact CD1-CD1 3.99Å; L199-I500 HydrophobicContact CD2-CD1 3.88Å; H495-I500 HydrophobicContact CB-CB 4.01Å; H495-I500 VanDerWaalsContact CB-O 3.29Å; H495-I500 WeakPolarHBondContact CB-O 3.43Å; H495-I500 PolarHBondContact N-O 3.28Å; R498-I500 HydrophobicContact CB-CD1 3.89Å; R498-I500 HydrophobicContact CB-CG1 3.83Å; R498-I500 PolarHBondContact O-N 3.5Å; I500-I512 HydrophobicContact CG2-CG2 3.39Å; I500-M514 HydrophobicContact CB-CG 4.33Å; I500-M514 HydrophobicContact CD1-SD 3.91Å; I500-M514 HydrophobicContact CG1-CG 3.9Å; I500-M514 HydrophobicContact CG1-SD 3.91Å; I500-M514 HydrophobicContact CG2-CG 4.01Å
501	I	95.7	Very high	95.4	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.031	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.6	170.2	63.7	175.8	0	0	0	110.1	W156 L456 A493 F494 I512 F513	W156-I501 HydrophobicContact CB-CD1 4.48Å; W156-I501 HydrophobicContact CD2-CD1 4.17Å; W156-I501 HydrophobicContact CD2-CG1 4.4Å; W156-I501 HydrophobicContact CE3-CD1 4.18Å; W156-I501 HydrophobicContact CE3-CG1 3.92Å; W156-I501 HydrophobicContact CG-CD1 4.32Å; W156-I501 HydrophobicContact CH2-CG2 4.18Å; W156-I501 HydrophobicContact CZ3-CG1 4.17Å; W156-I501 HydrophobicContact CZ3-CG2 4.23Å; L456-I501 HydrophobicContact CD1-CD1 4.1Å; L456-I501 HydrophobicContact CD2-CB 3.95Å; L456-I501 HydrophobicContact CD2-CD1 4.05Å; L456-I501 HydrophobicContact CD2-CG2 4.19Å; A493-I501 CarbonylContact O-C 3.38Å; A493-I501 VanDerWaalsContact O-CA 3.27Å; A493-I501 WeakPolarHBondContact O-CA 3.34Å; F494-I501 HydrophobicContact CD1-CG2 3.32Å; F494-I501 HydrophobicContact CE1-CG2 3.46Å; F494-I501 VanDerWaalsContact CE1-CG2 3.46Å; F494-I501 HydrophobicContact CG-CG2 4.12Å; F494-I501 HydrophobicContact CZ-CG2 4.37Å; I501-I512 WeakPolarHBondContact O-CA 3.31Å; I501-F513 HydrophobicContact CD1-CB 4.15Å; I501-F513 HydrophobicContact CD1-CD2 4.4Å; I501-F513 HydrophobicContact CD1-CG 4.32Å; I501-F513 HydrophobicContact CG1-CB 3.62Å; I501-F513 HydrophobicContact CG1-CD2 3.93Å; I501-F513 HydrophobicContact CG1-CG 4.03Å; I501-F513 PolarHBondContact N-O 3.24Å; I501-F513 VanDerWaalsContact N-O 3.14Å; I501-F513 PolarHBondContact O-N 2.99Å
502	A	97.3	Very high	95.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	153.8	177.2	0	0	0	0	0	111.3	I172 F174 V492 A493 K511 I512	I172-A502 HydrophobicContact CD1-CB 3.69Å; I172-A502 HydrophobicContact CG1-CB 4.01Å; I172-A502 HydrophobicContact CG2-CB 4.32Å; F174-A502 HydrophobicContact CE2-CB 3.52Å; F174-A502 HydrophobicContact CZ-CB 3.52Å; V492-A502 CarbonylContact C-O 3.6Å; V492-A502 VanDerWaalsContact CA-O 3.29Å; V492-A502 WeakPolarHBondContact CA-O 3.46Å; A493-A502 PolarHBondContact N-O 3.02Å; A493-A502 PolarHBondContact O-N 3.1Å; A502-K511 CarbonylContact C-O 3.55Å; A502-K511 VanDerWaalsContact CA-O 3.26Å; A502-K511 WeakPolarHBondContact CA-O 3.5Å; A502-I512 HydrophobicContact CB-CD1 3.58Å
503	S	98.2	Very high	95.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	151	173.3	74.5	0	0	0	0	111.1	L464 H481 S491 A510 K511 F513	L464-S503 VanDerWaalsContact CD2-CB 3.49Å; H481-S503 PolarHBondContact CD2-OG 3.14Å; H481-S503 PolarHBondContact NE2-OG 3.22Å; S491-S503 CarbonylContact O-C 3.54Å; S491-S503 WeakPolarHBondContact O-CA 3.37Å; S503-A510 CarbonylContact O-C 3.56Å; S503-A510 VanDerWaalsContact O-CA 3.26Å; S503-A510 WeakPolarHBondContact O-CA 3.4Å; S503-K511 PolarHBondContact N-O 3.34Å; S503-K511 PolarHBondContact O-N 3.07Å; S503-F513 VanDerWaalsContact OG-CE2 3.23Å; S503-F513 WeakPolarHBondContact OG-CE2 3.39Å
504	A	98	Very high	94.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	149.8	179.4	0	0	0	0	0	110.5	V169 I172 F490 S491 L509	V169-A504 HydrophobicContact CB-CB 3.85Å; V169-A504 HydrophobicContact CG1-CB 3.54Å; I172-A504 HydrophobicContact CB-CB 4Å; I172-A504 HydrophobicContact CD1-CB 4.31Å; I172-A504 HydrophobicContact CG2-CB 4.09Å; F490-A504 PolarHBondContact N-O 2.94Å; S491-A504 PolarHBondContact N-O 3.28Å; S491-A504 PolarHBondContact O-N 2.94Å; A504-L509 WeakPolarHBondContact CA-O 3.24Å
505	G	97.1	Very high	94.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	-174.2	-173.9	0	0	0	0	0	116.8	V169 S488 D507 G508 L509	V169-G505 PolarHBondContact N-O 2.7Å; V169-G505 PolarHBondContact O-N 2.92Å; S488-G505 CarbonylContact O-C 3.5Å; S488-G505 WeakPolarHBondContact O-CA 3.39Å; G505-D507 PolarHBondContact O-N 2.76Å; G505-G508 PolarHBondContact O-N 2.91Å; G505-L509 PolarHBondContact N-O 3.34Å
506	A	97.5	Very high	94.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18	-175.6	0	0	0	0	0	114	C168 K484 E487 S488 F490 G508	C168-A506 PolarHBondContact SG-O 3.19Å; K484-A506 HydrophobicContact CB-CB 4.02Å; K484-A506 WeakPolarHBondContact CD-O 3.39Å; E487-A506 HydrophobicContact CB-CB 4.18Å; S488-A506 PolarHBondContact O-N 3.39Å; F490-A506 HydrophobicContact CD2-CB 4.42Å; F490-A506 HydrophobicContact CE2-CB 3.58Å; F490-A506 HydrophobicContact CZ-CB 4.07Å; A506-G508 PolarHBondContact O-N 3.33Å
507	D	96.2	Very high	94.6	Very high	43 Å²	43	21.9 Å²	21.9	23%	0.23	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	3.2	173.7	63.2	-3.3	0	0	0	113.6	H481 R482 G505 L509	H481-D507 IonicContact CE1-OD1 2.83Å; H481-D507 IonicContact CG-OD1 2.8Å; H481-D507 IonicContact CG-OD2 3.64Å; H481-D507 IonicContact ND1-OD1 3.52Å; H481-D507 PolarHBondContact ND1-OD1 3.02Å; H481-D507 IonicContact ND1-OD2 3.13Å; H481-D507 PolarHBondContact ND1-OD2 3.38Å; R482-D507 HydrophobicContact CB-CB 4.43Å; R482-D507 PolarHBondContact N-OD2 3.44Å; G505-D507 PolarHBondContact O-N 2.76Å; D507-L509 HydrophobicContact CB-CG 4.44Å; D507-L509 PolarHBondContact O-N 3.25Å; D507-L509 WeakPolarHBondContact OD1-CB 3.44Å; D507-L509 PolarHBondContact OD1-N 3.08Å
508	G	96	Very high	94.9	Very high	7 Å²	7	19.7 Å²	19.7	7%	0.072	10%	0.097	C	C	.	.	S	Bend	trans	72.6	15.1	179.9	0	0	0	0	0	113.5	D167 G505 A506	D167-G508 WeakPolarHBondContact O-CA 3.32Å; G505-G508 PolarHBondContact O-N 2.91Å; A506-G508 PolarHBondContact O-N 3.33Å
509	L	96.2	Very high	95.3	Very high	35 Å²	35	14.9 Å²	14.9	18%	0.183	8%	0.081	C	C	.	.			trans	-108.6	147.3	-177.6	-55.7	-175.9	0	0	0	111	T161 R163 H481 A504 G505 D507	T161-L509 HydrophobicContact CG2-CB 4.29Å; T161-L509 HydrophobicContact CG2-CD1 4.03Å; T161-L509 HydrophobicContact CG2-CD2 4.36Å; T161-L509 HydrophobicContact CG2-CG 4.48Å; R163-L509 HydrophobicContact CB-CD2 4.3Å; R163-L509 HydrophobicContact CG-CD2 3.84Å; H481-L509 PolarHBondContact CE1-O 3.47Å; H481-L509 VanDerWaalsContact CE1-O 3.25Å; A504-L509 WeakPolarHBondContact CA-O 3.24Å; G505-L509 PolarHBondContact N-O 3.34Å; D507-L509 HydrophobicContact CB-CG 4.44Å; D507-L509 PolarHBondContact O-N 3.25Å; D507-L509 WeakPolarHBondContact OD1-CB 3.44Å; D507-L509 PolarHBondContact OD1-N 3.08Å
510	A	96.7	Very high	95.7	Very high	1 Å²	1	13 Å²	13	1%	0.008	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.3	159.3	0	0	0	0	0	109.6	T161 L162 I172 S503	T161-A510 CarbonylContact C-O 3.58Å; T161-A510 WeakPolarHBondContact CA-O 3.44Å; L162-A510 HydrophobicContact CB-CB 4.12Å; L162-A510 HydrophobicContact CD1-CB 4.08Å; L162-A510 HydrophobicContact CG-CB 4.45Å; L162-A510 PolarHBondContact N-O 2.98Å; L162-A510 PolarHBondContact O-N 3.01Å; I172-A510 HydrophobicContact CD1-CB 3.61Å; S503-A510 CarbonylContact O-C 3.56Å; S503-A510 VanDerWaalsContact O-CA 3.26Å; S503-A510 WeakPolarHBondContact O-CA 3.4Å
511	K	95.8	Very high	95.9	Very high	36 Å²	36	13.4 Å²	13.4	16%	0.157	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	140.8	-178.1	-63.9	-174.3	179	-161.4	0	110.3	V158 F160 T161 A480 A502 S503 F513	V158-K511 HydrophobicContact CG1-CB 4.39Å; V158-K511 HydrophobicContact CG1-CD 4.34Å; V158-K511 HydrophobicContact CG2-CD 4.25Å; F160-K511 WeakPolarHBondContact O-CA 3.48Å; T161-K511 HydrophobicContact CG2-CG 4.11Å; A480-K511 HydrophobicContact CB-CD 4.45Å; A480-K511 WeakPolarHBondContact O-CD 3.5Å; A480-K511 WeakPolarHBondContact O-CE 3.44Å; A480-K511 PolarHBondContact O-NZ 3.29Å; A502-K511 CarbonylContact C-O 3.55Å; A502-K511 VanDerWaalsContact CA-O 3.26Å; A502-K511 WeakPolarHBondContact CA-O 3.5Å; S503-K511 PolarHBondContact N-O 3.34Å; S503-K511 PolarHBondContact O-N 3.07Å; K511-F513 HydrophobicContact CB-CE2 3.76Å; K511-F513 HydrophobicContact CB-CZ 3.96Å
512	I	95.1	Very high	95.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.9	178.8	-50.8	-60.4	0	0	0	108.4	R159 F160 L162 F174 V181 L195 I500 I501 A502	R159-I512 PolarHBondContact N-O 3.38Å; F160-I512 HydrophobicContact CB-CB 4.11Å; F160-I512 HydrophobicContact CB-CG1 4.28Å; F160-I512 HydrophobicContact CD2-CB 3.99Å; F160-I512 HydrophobicContact CD2-CG1 4.49Å; F160-I512 HydrophobicContact CD2-CG2 4.1Å; F160-I512 PolarHBondContact N-O 3.2Å; F160-I512 PolarHBondContact O-N 3.05Å; L162-I512 HydrophobicContact CD1-CD1 4.4Å; L162-I512 HydrophobicContact CD1-CG1 4.36Å; F174-I512 HydrophobicContact CE1-CD1 4.43Å; F174-I512 HydrophobicContact CZ-CD1 4.23Å; V181-I512 HydrophobicContact CG1-CD1 4.22Å; V181-I512 HydrophobicContact CG2-CD1 4.43Å; L195-I512 HydrophobicContact CD1-CG1 4.48Å; L195-I512 HydrophobicContact CD1-CG2 4.48Å; I500-I512 HydrophobicContact CG2-CG2 3.39Å; I501-I512 WeakPolarHBondContact O-CA 3.31Å; A502-I512 HydrophobicContact CB-CD1 3.58Å
513	F	93.9	Very high	95.8	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.013	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.3	-176.6	-46	-116.8	0	0	0	110.3	W156 A157 V158 L464 T478 A480 I501 S503 K511	W156-F513 HydrophobicContact CB-CB 4.4Å; W156-F513 HydrophobicContact CE3-CB 4.17Å; W156-F513 WeakPolarHBondContact CZ3-O 3.43Å; A157-F513 VanDerWaalsContact O-CA 3.23Å; A157-F513 WeakPolarHBondContact O-CA 3.39Å; A157-F513 WeakPolarHBondContact O-CB 3.19Å; V158-F513 HydrophobicContact CB-CD1 4.39Å; V158-F513 HydrophobicContact CB-CE1 4.36Å; V158-F513 HydrophobicContact CG2-CD1 3.7Å; V158-F513 HydrophobicContact CG2-CE1 3.26Å; V158-F513 HydrophobicContact CG2-CZ 3.84Å; L464-F513 HydrophobicContact CD1-CZ 4.25Å; L464-F513 HydrophobicContact CD2-CE2 4.42Å; T478-F513 HydrophobicContact CG2-CE1 3.99Å; A480-F513 HydrophobicContact CB-CE1 4.26Å; A480-F513 HydrophobicContact CB-CZ 3.74Å; I501-F513 HydrophobicContact CD1-CB 4.15Å; I501-F513 HydrophobicContact CD1-CD2 4.4Å; I501-F513 HydrophobicContact CD1-CG 4.32Å; I501-F513 HydrophobicContact CG1-CB 3.62Å; I501-F513 HydrophobicContact CG1-CD2 3.93Å; I501-F513 HydrophobicContact CG1-CG 4.03Å; I501-F513 PolarHBondContact N-O 3.24Å; I501-F513 VanDerWaalsContact N-O 3.14Å; I501-F513 PolarHBondContact O-N 2.99Å; S503-F513 VanDerWaalsContact OG-CE2 3.23Å; S503-F513 WeakPolarHBondContact OG-CE2 3.39Å; K511-F513 HydrophobicContact CB-CE2 3.76Å; K511-F513 HydrophobicContact CB-CZ 3.96Å
514	M	88.8	Confident	95.6	Very high	57 Å²	57	16.5 Å²	16.5	28%	0.281	9%	0.086	S	C	.	.			trans	-155.5	0	178.7	-43.7	179.3	-75.1	0	0	112.8	A157 R159 F160 L199 I500	A157-M514 PolarHBondContact O-N 3.16Å; R159-M514 HydrophobicContact CB-CE 3.68Å; R159-M514 HydrophobicContact CG-CB 3.84Å; R159-M514 HydrophobicContact CG-CE 3.57Å; R159-M514 HydrophobicContact CG-CG 4.05Å; R159-M514 PolarHBondContact NE-O 3.19Å; R159-M514 PolarHBondContact NH2-O 3.12Å; F160-M514 HydrophobicContact CD2-CE 4.3Å; F160-M514 HydrophobicContact CE2-CE 3.38Å; F160-M514 HydrophobicContact CE2-SD 4.4Å; F160-M514 HydrophobicContact CZ-CE 3.72Å; L199-M514 HydrophobicContact CD2-CE 3.89Å; L199-M514 HydrophobicContact CD2-SD 3.32Å; L199-M514 WeakPolarHBondContact CD2-SD 3.36Å; I500-M514 HydrophobicContact CB-CG 4.33Å; I500-M514 HydrophobicContact CD1-SD 3.91Å; I500-M514 HydrophobicContact CG1-CG 3.9Å; I500-M514 HydrophobicContact CG1-SD 3.91Å; I500-M514 HydrophobicContact CG2-CG 4.01Å

Retrieved 514 of 514 residues in 827.8 ms (Link to these results)

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