A0A087XVS2_POEFO Loading...

F-box/WD repeat-containing protein 7

AlphaFold DB , UniProt , Accession A0A087XVS2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 552 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	33.7	Very low	249 Å²	249	159.5 Å²	159.5	100%	1.227	84%	0.841	S	S	*	*				0	100.2	0	-84.3	172.8	176.6	0	0	108.5
2	S	32.4	Very low	33.7	Very low	102 Å²	102	160.8 Å²	160.8	71%	0.713	83%	0.834	S	S	*	*			trans	-67.7	177.3	156.5	-18.2	0	0	0	0	109.4
3	P	49.5	Very low	33.4	Very low	120 Å²	120	162.1 Å²	162.1	78%	0.779	84%	0.837	S	S	*	*			cis	-132.8	153.8	33.4	23.8	1.8	0	0	0	114.5
4	F	33.3	Very low	33.3	Very low	156 Å²	156	164.8 Å²	164.8	68%	0.684	84%	0.84	S	S	*	*				65.1	117.6	68.8	-96.5	-80.2	0	0	0	116	R6	F4-R6 HydrophobicContact CE1-CG 4.46Å
5	F	33.4	Very low	33	Very low	215 Å²	215	171 Å²	171	94%	0.943	85%	0.849	S	S	*	*				-147.3	125.9	128.4	-103.3	-77.1	0	0	0	111.1
6	R	30.5	Very low	32.8	Very low	181 Å²	181	170.3 Å²	170.3	68%	0.683	84%	0.839	S	S	*	*			trans	-94.2	156.9	164.7	-92.8	-177.7	179.1	176.3	0.6	108.6	F4	F4-R6 HydrophobicContact CE1-CG 4.46Å
7	L	32.7	Very low	32.5	Very low	181 Å²	181	169.7 Å²	169.7	95%	0.948	84%	0.839	S	S	*	*			trans	-136.4	125.1	147.1	-97.9	161.7	0	0	0	109.3
8	D	33	Very low	32.4	Very low	139 Å²	139	165.9 Å²	165.9	74%	0.743	82%	0.823	S	S	*	*			trans	-84.4	159.6	174.1	-84.7	-47.4	0	0	0	111.4
9	G	28.8	Very low	32.3	Very low	82 Å²	82	167 Å²	167	85%	0.845	83%	0.825	S	S	*	*			trans	-166.4	93.5	166.3	0	0	0	0	0	112.1
10	N	30.5	Very low	32	Very low	145 Å²	145	162.1 Å²	162.1	78%	0.775	82%	0.818	S	S	*	*			trans	-103.8	138.7	-173.9	-159.2	2	0	0	0	109.6
11	M	28.3	Very low	32.9	Very low	185 Å²	185	160.1 Å²	160.1	91%	0.911	82%	0.817	S	S	*	*			trans	-150.5	121.5	156.3	-129.1	174.2	93.6	0	0	112.8
12	K	33.6	Very low	32.4	Very low	175 Å²	175	156.8 Å²	156.8	76%	0.761	80%	0.798	S	S	*	*			trans	-94.8	151.1	172.8	-79.8	175.3	171.5	171	0	110.9
13	M	29.5	Very low	32.2	Very low	177 Å²	177	157.8 Å²	157.8	87%	0.872	80%	0.8	S	S	*	*				-178	111.4	126.7	-104.5	-174.2	-91.6	0	0	109
14	K	32.4	Very low	31.3	Very low	200 Å²	200	163.1 Å²	163.1	87%	0.87	81%	0.805	S	S	*	*				51.2	115.3	87.2	-86.3	-169	177.9	-177.5	0	116
15	R	28.7	Very low	30.9	Very low	258 Å²	258	161.3 Å²	161.3	97%	0.974	81%	0.811	S	S	*	*				-157.3	135.2	121.1	-111.1	175.2	-177.7	171.6	0.8	112.5
16	K	29.9	Very low	30.9	Very low	160 Å²	160	160.9 Å²	160.9	70%	0.696	81%	0.809	S	S	*	*			trans	-98.7	160.7	175.5	-111.3	-173.4	162.9	-138	0	109	D18	K16-D18 IonicContact NZ-OD1 3.19Å; K16-D18 IonicContact NZ-OD2 3.93Å; K16-D18 PolarHBondContact NZ-OD2 3.42Å
17	L	28.6	Very low	30.9	Very low	160 Å²	160	158 Å²	158	84%	0.838	81%	0.814	S	S	*	*			trans	178.3	99.6	133.7	-93.3	153.3	0	0	0	105.9
18	D	29.5	Very low	30.7	Very low	102 Å²	102	154.6 Å²	154.6	55%	0.545	81%	0.805	S	S	.	*				55.4	110.8	77	-77.4	-24.9	0	0	0	114.9	K16	K16-D18 IonicContact NZ-OD1 3.19Å; K16-D18 IonicContact NZ-OD2 3.93Å; K16-D18 PolarHBondContact NZ-OD2 3.42Å
19	H	30.1	Very low	30.4	Very low	186 Å²	186	151.3 Å²	151.3	86%	0.861	80%	0.804	S	S	*	*				-179.4	121.6	119.6	-85.4	-48.7	0	0	0	111.4
20	G	27.5	Very low	30.3	Very low	68 Å²	68	157.8 Å²	157.8	70%	0.701	81%	0.809	S	S	*	*			trans	-92.9	-144	162.7	0	0	0	0	0	110.8
21	P	50.7	Low	30.2	Very low	122 Å²	122	160.2 Å²	160.2	79%	0.792	81%	0.813	S	S	*	*			cis	-132	-158.4	-38.4	34.6	-13.7	0	0	0	111.5
22	E	28.6	Very low	30.4	Very low	178 Å²	178	156 Å²	156	83%	0.832	80%	0.799	S	S	*	*			trans	88.4	154	167.6	-55.9	-164.2	160.1	0	0	118.6
23	V	27.3	Very low	30	Very low	123 Å²	123	154.3 Å²	154.3	75%	0.745	81%	0.808	S	S	*	*			cis	-164.6	149.6	-26	142	0	0	0	0	104.7
24	R	30.5	Very low	29.9	Very low	233 Å²	233	155.3 Å²	155.3	88%	0.879	81%	0.807	S	S	*	*			trans	-15.5	145.9	169.5	-67.3	173.3	174.4	174.6	-1.9	120.3
25	S	25.1	Very low	29.6	Very low	117 Å²	117	149.2 Å²	149.2	82%	0.818	80%	0.801	S	S	*	*				-172	140.4	115.5	44.8	0	0	0	0	113.3
26	F	33.2	Very low	29.8	Very low	206 Å²	206	142.3 Å²	142.3	90%	0.904	79%	0.79	S	S	*	*			trans	-72.9	156	157.3	-87.2	-89.5	0	0	0	109
27	P	31	Very low	29.6	Very low	120 Å²	120	143.3 Å²	143.3	78%	0.779	80%	0.797	S	S	*	*				-147	165.4	104.6	32.5	-13.2	0	0	0	116.6
28	S	27.6	Very low	29.3	Very low	110 Å²	110	145.6 Å²	145.6	77%	0.769	80%	0.796	S	S	*	*			trans	-56.2	140.3	171.5	51.4	0	0	0	0	116.8
29	G	26.8	Very low	29.4	Very low	70 Å²	70	146.7 Å²	146.7	72%	0.722	81%	0.808	S	S	*	*				63.9	122.4	127.5	0	0	0	0	0	120.4
30	K	27.5	Very low	29.2	Very low	218 Å²	218	142 Å²	142	95%	0.948	80%	0.797	S	S	*	*				178.6	128.3	121.3	-94.6	164.7	-173.8	-178.1	0	111.4
31	K	27.4	Very low	29.3	Very low	197 Å²	197	144 Å²	144	86%	0.857	80%	0.797	S	S	*	*			trans	-54.1	-170.3	165.8	-77	-179.3	175.7	179.3	0	113.3
32	P	33.8	Very low	28.1	Very low	96 Å²	96	144.8 Å²	144.8	62%	0.623	80%	0.8	S	S	*	*			cis	-136.8	170.9	-43.1	33.6	-16.3	0	0	0	112.7
33	C	25.4	Very low	28	Very low	139 Å²	139	139.5 Å²	139.5	94%	0.939	79%	0.793	S	S	*	*			trans	-115.9	121.5	151.5	-79.2	0	0	0	0	110.6
34	K	26.7	Very low	28	Very low	199 Å²	199	141.5 Å²	141.5	87%	0.865	80%	0.798	S	S	*	*			trans	-72.9	141.9	176.4	-66.4	172.8	168.7	179.5	0	109.2
35	G	26.6	Very low	27.8	Very low	71 Å²	71	136.6 Å²	136.6	73%	0.732	79%	0.794	S	S	*	*				106.3	166.5	70.3	0	0	0	0	0	108.6
36	P	32.3	Very low	28	Very low	114 Å²	114	135.9 Å²	135.9	74%	0.74	79%	0.786	S	S	*	*			cis	-128.3	-177.3	7.7	40.7	-21	0	0	0	111.3
37	E	24.7	Very low	27.6	Very low	180 Å²	180	131.9 Å²	131.9	84%	0.841	78%	0.783	S	S	*	*			cis	-162.7	149	16.1	-135.9	150.1	-134.4	0	0	109.2
38	Y	23.5	Very low	27.4	Very low	209 Å²	209	132.3 Å²	132.3	82%	0.82	79%	0.785	S	S	*	*			trans	-75.5	175.5	178	-91.1	-94.9	0	0	0	112
39	P	30.3	Very low	27.4	Very low	124 Å²	124	131.2 Å²	131.2	81%	0.805	78%	0.783	S	S	*	*			cis	-137	162.2	22.8	32.5	-9.1	0	0	0	118.7
40	S	26.8	Very low	27.4	Very low	89 Å²	89	134.3 Å²	134.3	62%	0.622	79%	0.788	S	S	*	*			trans	-78	165.7	169.5	51	0	0	0	0	111.5
41	P	29.5	Very low	27.4	Very low	109 Å²	109	129.6 Å²	129.6	71%	0.708	78%	0.779	S	S	*	*				-148.4	160.1	82.5	36.2	-16.3	0	0	0	116.6
42	T	26	Very low	27.5	Very low	139 Å²	139	126.2 Å²	126.2	85%	0.853	78%	0.775	S	S	*	*			trans	66.7	132.2	144.8	48.9	0	0	0	0	121.6
43	G	25.5	Very low	27.4	Very low	67 Å²	67	128.2 Å²	128.2	69%	0.691	79%	0.786	S	S	*	*			trans	115.9	98	145	0	0	0	0	0	115.8	V45	G43-V45 PolarHBondContact O-N 3.19Å
44	I	29.1	Very low	27.8	Very low	165 Å²	165	131.4 Å²	131.4	85%	0.846	79%	0.785	S	S	*	*			trans	-57.4	123	162.8	-66.6	165.5	0	0	0	108.4	P46	I44-P46 HydrophobicContact CG2-CG 4.48Å; I44-P46 WeakPolarHBondContact O-CD 3.5Å
45	V	25.2	Very low	28	Very low	130 Å²	130	124.9 Å²	124.9	79%	0.788	77%	0.774	S	S	*	*			trans	-103.2	107.8	170.7	178.3	0	0	0	0	108.4	G43	G43-V45 PolarHBondContact O-N 3.19Å
46	P	28.6	Very low	28.1	Very low	101 Å²	101	130.8 Å²	130.8	66%	0.656	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-83.4	130.5	158.8	0.7	18.2	0	0	0	108.9	I44	I44-P46 HydrophobicContact CG2-CG 4.48Å; I44-P46 WeakPolarHBondContact O-CD 3.5Å
47	C	25.9	Very low	28.3	Very low	123 Å²	123	133 Å²	133	83%	0.831	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-52.7	128.6	167.4	-61.9	0	0	0	0	110.5	A49	C47-A49 PolarHBondContact O-N 3.25Å
48	P	26.6	Very low	28.7	Very low	128 Å²	128	136.1 Å²	136.1	83%	0.831	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-79.5	124.3	172.4	-5.4	22.1	0	0	0	110.1
49	A	27.8	Very low	29	Very low	87 Å²	87	130.9 Å²	130.9	72%	0.719	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-57.6	147	160.5	0	0	0	0	0	111.1	C47	C47-A49 PolarHBondContact O-N 3.25Å
50	T	26.8	Very low	29	Very low	135 Å²	135	129.2 Å²	129.2	83%	0.828	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-51.6	123.7	167	0.2	0	0	0	0	110.5	T52	T50-T52 PolarHBondContact O-N 2.99Å
51	P	26.9	Very low	29.1	Very low	119 Å²	119	133.1 Å²	133.1	77%	0.773	80%	0.8	S	S	*	*			trans	-80.2	112.7	175.4	-0.2	16.4	0	0	0	109.9
52	T	29.1	Very low	29.3	Very low	126 Å²	126	131.4 Å²	131.4	77%	0.773	80%	0.803	S	S	*	*			trans	-64.9	131.8	161.4	48.5	0	0	0	0	110.1	T50 F54	T50-T52 PolarHBondContact O-N 2.99Å; T52-F54 PolarHBondContact O-N 3.1Å
53	T	32.7	Very low	29.5	Very low	138 Å²	138	133.8 Å²	133.8	85%	0.847	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	46.5	-170	-34.8	0	0	0	0	115.9
54	F	34.2	Very low	30	Very low	207 Å²	207	134 Å²	134	91%	0.908	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.4	5.5	-176.6	-94	-78.1	0	0	0	117	T52	T52-F54 PolarHBondContact O-N 3.1Å
55	G	29.9	Very low	30.4	Very low	62 Å²	62	134.9 Å²	134.9	64%	0.639	81%	0.807	S	S	*	*	S	Bend	trans	-123	80.4	179.8	0	0	0	0	0	112.2
56	H	29.8	Very low	31.3	Very low	194 Å²	194	137.5 Å²	137.5	90%	0.898	81%	0.811	S	S	*	*	S	Bend	trans	176.9	54.7	147.8	-98.7	-68.8	0	0	0	113.2
57	I	35.2	Very low	32.3	Very low	160 Å²	160	141.4 Å²	141.4	82%	0.821	81%	0.813	S	S	*	*			trans	-140	75.2	157.5	-51.1	178.7	0	0	0	109.2
58	R	33.7	Very low	33.4	Very low	247 Å²	247	147.4 Å²	147.4	93%	0.932	82%	0.818	S	S	*	*			trans	-129.2	77.5	159.1	-92.6	-170.6	178.5	174.6	2.6	108.5
59	A	30.1	Very low	34.7	Very low	99 Å²	99	149.5 Å²	149.5	82%	0.818	81%	0.809	S	S	*	*			trans	178.8	73.2	152.4	0	0	0	0	0	109.3
60	A	29.3	Very low	36.1	Very low	88 Å²	88	150.4 Å²	150.4	73%	0.727	80%	0.801	S	S	*	*			trans	-157.7	70.7	160.1	0	0	0	0	0	108.8	G62	A60-G62 PolarHBondContact O-N 3.22Å
61	N	29.4	Very low	37.4	Very low	171 Å²	171	150.2 Å²	150.2	91%	0.914	80%	0.8	S	S	*	*			trans	-65.6	128.9	161.3	-97.4	-15.8	0	0	0	108.3
62	G	34.1	Very low	38.7	Very low	74 Å²	74	149.7 Å²	149.7	76%	0.763	80%	0.798	S	S	*	*	S	Bend	trans	59.9	66.7	143.9	0	0	0	0	0	116.7	A60	A60-G62 PolarHBondContact O-N 3.22Å
63	Q	29.1	Very low	40.5	Very low	188 Å²	188	149.7 Å²	149.7	88%	0.879	79%	0.792	S	S	*	*			trans	-156.8	128.2	145.4	-103.4	167.5	22	0	0	105.8	Q65	Q63-Q65 PolarHBondContact O-N 2.86Å; Q63-Q65 VanDerWaalsContact O-N 3.13Å
64	G	36.4	Very low	42.3	Very low	73 Å²	73	151.5 Å²	151.5	75%	0.753	79%	0.791	S	S	*	*			trans	-49.5	124.9	179.1	0	0	0	0	0	109.1	Q66	G64-Q66 PolarHBondContact O-N 3.3Å
65	Q	37.9	Very low	44	Very low	183 Å²	183	146.2 Å²	146.2	86%	0.855	78%	0.778	S	S	*	*			trans	-59.2	94	173	-83.9	-174	-21.7	0	0	107.3	Q63 R67	Q63-Q65 PolarHBondContact O-N 2.86Å; Q63-Q65 VanDerWaalsContact O-N 3.13Å; Q65-R67 PolarHBondContact O-N 2.98Å
66	Q	44.5	Very low	46.3	Very low	184 Å²	184	147.7 Å²	147.7	86%	0.86	78%	0.776	S	S	*	*			trans	-57.3	125.7	165.3	-88.8	-175	-19	0	0	106.2	G64 R68	G64-Q66 PolarHBondContact O-N 3.3Å; Q66-R68 PolarHBondContact O-N 3.3Å
67	R	49.3	Very low	48.6	Very low	184 Å²	184	145.7 Å²	145.7	69%	0.694	78%	0.778	S	S	*	*			trans	-36.8	124.9	174	-69.1	176.7	178	177.8	1	108.8	Q65 R69	Q65-R67 PolarHBondContact O-N 2.98Å; R67-R69 HydrophobicContact CB-CG 4.17Å; R67-R69 PolarHBondContact O-N 3.28Å
68	R	48.4	Very low	50.8	Low	248 Å²	248	140.1 Å²	140.1	94%	0.936	76%	0.759	S	S	*	*			trans	-66.7	77.3	156.7	-80.2	-172.6	176.9	-178.3	-0.4	106.8	Q66	Q66-R68 PolarHBondContact O-N 3.3Å
69	R	53.4	Low	53	Low	172 Å²	172	131.5 Å²	131.5	65%	0.649	73%	0.732	S	S	*	*			trans	-59.4	141.9	161.8	-74.7	-173.9	-174.3	-170.9	1.3	105.8	R67 T71	R67-R69 HydrophobicContact CB-CG 4.17Å; R67-R69 PolarHBondContact O-N 3.28Å; R69-T71 HydrophobicContact CB-CG2 3.97Å; R69-T71 PolarHBondContact O-N 2.95Å
70	I	58.6	Low	55.5	Low	107 Å²	107	132.8 Å²	132.8	55%	0.549	72%	0.721	S	S	.	*			trans	-62.3	92.1	161.6	-60.4	169.2	0	0	0	105	S72 I73	I70-S72 VanDerWaalsContact C-N 3.28Å; I70-I73 HydrophobicContact CG2-CD1 4.18Å; I70-I73 HydrophobicContact CG2-CG1 4.27Å
71	T	52.7	Low	58.2	Low	131 Å²	131	135.3 Å²	135.3	80%	0.804	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-0.6	-173.5	44.1	0	0	0	0	112.7	R69	R69-T71 HydrophobicContact CB-CG2 3.97Å; R69-T71 PolarHBondContact O-N 2.95Å
72	S	55.2	Low	60.9	Low	107 Å²	107	132.6 Å²	132.6	75%	0.748	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	4.8	-173.8	66.2	0	0	0	0	114.6	I70	I70-S72 VanDerWaalsContact C-N 3.28Å
73	I	66.9	Low	63.4	Low	126 Å²	126	131.9 Å²	131.9	65%	0.646	67%	0.673	S	S	*	*	S	Bend	trans	-134.4	135.7	-177.5	-49.7	178.1	0	0	0	108.7	I70	I70-I73 HydrophobicContact CG2-CD1 4.18Å; I70-I73 HydrophobicContact CG2-CG1 4.27Å
74	Q	69.6	Low	66.2	Low	176 Å²	176	131.6 Å²	131.6	82%	0.822	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-60	138.5	172.4	-77.7	-174.9	-14.1	0	0	109.9
75	P	70.6	Confident	68.7	Low	96 Å²	96	131.1 Å²	131.1	62%	0.623	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-60.6	139.9	179.9	25.4	-32.8	0	0	0	109.8	T77 L79	P75-T77 PolarHBondContact O-N 3.1Å; P75-L79 HydrophobicContact CB-CD2 4.05Å
76	P	79	Confident	71.2	Confident	93 Å²	93	124.2 Å²	124.2	60%	0.604	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-52.8	138.7	175.9	-23.4	31.2	0	0	0	111	G78 L79	P76-G78 PolarHBondContact O-N 3.42Å; P76-L79 WeakPolarHBondContact O-CB 3.3Å; P76-L79 PolarHBondContact O-N 3.1Å; P76-L79 VanDerWaalsContact O-N 3.1Å
77	T	77.3	Confident	73.3	Confident	153 Å²	153	122 Å²	122	94%	0.939	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	123.6	172.3	43	0	0	0	0	109.1	P75	P75-T77 PolarHBondContact O-N 3.1Å
78	G	80.3	Confident	75.4	Confident	42 Å²	42	117.7 Å²	117.7	43%	0.433	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	97	-7.1	-177.8	0	0	0	0	0	116	P76 Q80 E81 W82	P76-G78 PolarHBondContact O-N 3.42Å; G78-Q80 VanDerWaalsContact C-N 3.29Å; G78-Q80 PolarHBondContact O-N 2.8Å; G78-E81 PolarHBondContact O-N 3.07Å; G78-E81 VanDerWaalsContact O-N 3.09Å; G78-W82 PolarHBondContact O-N 2.65Å
79	L	81	Confident	77.6	Confident	67 Å²	67	109.9 Å²	109.9	35%	0.351	57%	0.572	S	S	.	*	H	α-helix	trans	-57.6	-39.9	179.8	178.3	64.4	0	0	0	113.1	P75 P76 E81 L83	P75-L79 HydrophobicContact CB-CD2 4.05Å; P76-L79 WeakPolarHBondContact O-CB 3.3Å; P76-L79 PolarHBondContact O-N 3.1Å; P76-L79 VanDerWaalsContact O-N 3.1Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-L83 HydrophobicContact CD1-CD1 4.49Å; L79-L83 HydrophobicContact CD1-CG 4.46Å; L79-L83 HydrophobicContact CG-CD1 4.27Å; L79-L83 WeakPolarHBondContact O-CB 3.4Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.18Å; L79-L83 PolarHBondContact O-N 3.35Å
80	Q	82	Confident	79.3	Confident	125 Å²	125	104.4 Å²	104.4	58%	0.584	56%	0.56	S	S	*	*	H	α-helix	trans	-68.8	-33.7	179.4	-70.7	-63.7	-29.7	0	0	112.5	G78 R84	G78-Q80 VanDerWaalsContact C-N 3.29Å; G78-Q80 PolarHBondContact O-N 2.8Å; Q80-R84 WeakPolarHBondContact O-CG 3.5Å; Q80-R84 PolarHBondContact O-N 2.94Å
81	E	85.9	Confident	80.6	Confident	142 Å²	142	101.6 Å²	101.6	66%	0.664	56%	0.557	S	S	*	*	H	α-helix	trans	-72.2	-45.5	177.4	-169.9	166	-164.7	0	0	110.2	G78 L79 L83 R84 T85	G78-E81 PolarHBondContact O-N 3.07Å; G78-E81 VanDerWaalsContact O-N 3.09Å; L79-E81 VanDerWaalsContact C-N 3.33Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3.43Å; E81-R84 WeakPolarHBondContact O-CB 3.35Å; E81-R84 PolarHBondContact O-N 3.13Å; E81-R84 VanDerWaalsContact O-N 3.1Å; E81-T85 PolarHBondContact O-N 2.71Å; E81-T85 PolarHBondContact O-OG1 3.09Å; E81-T85 VanDerWaalsContact O-OG1 3.07Å
82	W	87.8	Confident	82.4	Confident	113 Å²	113	100 Å²	100	43%	0.428	55%	0.549	S	S	.	.	H	α-helix	trans	-56.5	-43.6	172.6	-175.3	86.9	0	0	0	112.5	G78 R84 T85 F86	G78-W82 PolarHBondContact O-N 2.65Å; W82-R84 VanDerWaalsContact C-N 3.34Å; W82-R84 PolarHBondContact O-N 3.17Å; W82-T85 PolarHBondContact O-N 3.13Å; W82-F86 HydrophobicContact CH2-CD2 4.04Å; W82-F86 HydrophobicContact CH2-CG 4.26Å; W82-F86 HydrophobicContact CZ2-CD2 4.09Å; W82-F86 HydrophobicContact CZ3-CB 4.45Å; W82-F86 VanDerWaalsContact O-CB 3.32Å; W82-F86 WeakPolarHBondContact O-CB 3.45Å; W82-F86 PolarHBondContact O-N 3.04Å
83	L	85.9	Confident	84	Confident	59 Å²	59	100 Å²	100	31%	0.309	54%	0.537	S	S	.	.	H	α-helix	trans	-63.5	-36.3	176.9	-75.1	172	0	0	0	112.9	L79 E81 Q87	L79-L83 HydrophobicContact CD1-CD1 4.49Å; L79-L83 HydrophobicContact CD1-CG 4.46Å; L79-L83 HydrophobicContact CG-CD1 4.27Å; L79-L83 WeakPolarHBondContact O-CB 3.4Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.18Å; L79-L83 PolarHBondContact O-N 3.35Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3.43Å; L83-Q87 WeakPolarHBondContact O-CB 3.32Å; L83-Q87 WeakPolarHBondContact O-CG 3.48Å; L83-Q87 PolarHBondContact O-N 2.79Å
84	R	87.1	Confident	85.1	Confident	183 Å²	183	96.8 Å²	96.8	69%	0.691	52%	0.519	S	S	*	.	H	α-helix	trans	-67.6	-44.1	174.5	-74.7	179.7	-169.8	174	3.2	111.2	Q80 E81 W82 Q87 S88	Q80-R84 WeakPolarHBondContact O-CG 3.5Å; Q80-R84 PolarHBondContact O-N 2.94Å; E81-R84 WeakPolarHBondContact O-CB 3.35Å; E81-R84 PolarHBondContact O-N 3.13Å; E81-R84 VanDerWaalsContact O-N 3.1Å; W82-R84 VanDerWaalsContact C-N 3.34Å; W82-R84 PolarHBondContact O-N 3.17Å; R84-Q87 PolarHBondContact O-N 2.76Å; R84-S88 PolarHBondContact O-N 3.48Å; R84-S88 VanDerWaalsContact O-N 3.1Å
85	T	88.4	Confident	85.9	Confident	63 Å²	63	93.6 Å²	93.6	39%	0.387	51%	0.506	S	S	.	.	H	α-helix	trans	-61.3	-49.7	176.3	-53.7	0	0	0	0	110.8	E81 W82 Q87 S88 W89	E81-T85 PolarHBondContact O-N 2.71Å; E81-T85 PolarHBondContact O-OG1 3.09Å; E81-T85 VanDerWaalsContact O-OG1 3.07Å; W82-T85 PolarHBondContact O-N 3.13Å; T85-Q87 VanDerWaalsContact C-N 3.29Å; T85-Q87 PolarHBondContact O-N 3.44Å; T85-S88 WeakPolarHBondContact O-CB 2.84Å; T85-S88 PolarHBondContact O-N 2.8Å; T85-S88 PolarHBondContact O-OG 2.67Å; T85-W89 HydrophobicContact CG2-CZ2 3.96Å; T85-W89 PolarHBondContact O-N 3.21Å
86	F	90.9	Very high	86.8	Confident	37 Å²	37	94.3 Å²	94.3	16%	0.162	50%	0.504	C	S	.	.	H	α-helix	trans	-58.1	-39.9	176.3	-174.6	-92.5	0	0	0	112.1	W82 S88 W89 K94 A97 L98	W82-F86 HydrophobicContact CH2-CD2 4.04Å; W82-F86 HydrophobicContact CH2-CG 4.26Å; W82-F86 HydrophobicContact CZ2-CD2 4.09Å; W82-F86 HydrophobicContact CZ3-CB 4.45Å; W82-F86 VanDerWaalsContact O-CB 3.32Å; W82-F86 WeakPolarHBondContact O-CB 3.45Å; W82-F86 PolarHBondContact O-N 3.04Å; F86-S88 VanDerWaalsContact C-N 3.3Å; F86-S88 PolarHBondContact O-N 3.19Å; F86-W89 HydrophobicContact CB-CE3 4.49Å; F86-W89 AromaticContact CD2-CE3 3.66Å; F86-W89 HydrophobicContact CD2-CE3 3.66Å; F86-W89 AromaticContact CD2-CZ3 3.55Å; F86-W89 HydrophobicContact CD2-CZ3 3.55Å; F86-W89 HydrophobicContact CE2-CE3 4.21Å; F86-W89 HydrophobicContact CE2-CZ3 4.19Å; F86-W89 HydrophobicContact CG-CE3 4.34Å; F86-W89 HydrophobicContact CG-CZ3 4.46Å; F86-W89 PolarHBondContact O-N 2.74Å; F86-K94 HydrophobicContact CE1-CD 4.47Å; F86-K94 HydrophobicContact CE1-CG 4.14Å; F86-K94 HydrophobicContact CE2-CB 4.36Å; F86-K94 HydrophobicContact CE2-CG 4.29Å; F86-K94 HydrophobicContact CZ-CB 3.98Å; F86-K94 HydrophobicContact CZ-CG 3.97Å; F86-K94 WeakPolarHBondContact O-CE 3.47Å; F86-A97 HydrophobicContact CE2-CB 4.26Å; F86-L98 HydrophobicContact CE2-CD2 4.42Å; F86-L98 HydrophobicContact CE2-CG 4.22Å; F86-L98 HydrophobicContact CZ-CD1 4.16Å; F86-L98 HydrophobicContact CZ-CD2 4.11Å; F86-L98 HydrophobicContact CZ-CG 3.93Å
87	Q	89.8	Confident	87.3	Confident	137 Å²	137	91 Å²	91	64%	0.64	49%	0.485	S	S	*	.	H	α-helix	trans	-65.8	-31.5	176.8	-79.1	173.9	12.9	0	0	113.1	L83 R84 T85 W89 K94	L83-Q87 WeakPolarHBondContact O-CB 3.32Å; L83-Q87 WeakPolarHBondContact O-CG 3.48Å; L83-Q87 PolarHBondContact O-N 2.79Å; R84-Q87 PolarHBondContact O-N 2.76Å; T85-Q87 VanDerWaalsContact C-N 3.29Å; T85-Q87 PolarHBondContact O-N 3.44Å; Q87-W89 VanDerWaalsContact C-N 3.34Å; Q87-K94 PolarHBondContact O-NZ 3.42Å
88	S	91.9	Very high	87.8	Confident	94 Å²	94	86.8 Å²	86.8	66%	0.657	46%	0.456	S	S	*	.	H	α-helix	trans	-74.3	-18.6	-179.4	75.5	0	0	0	0	114.5	R84 T85 F86	R84-S88 PolarHBondContact O-N 3.48Å; R84-S88 VanDerWaalsContact O-N 3.1Å; T85-S88 WeakPolarHBondContact O-CB 2.84Å; T85-S88 PolarHBondContact O-N 2.8Å; T85-S88 PolarHBondContact O-OG 2.67Å; F86-S88 VanDerWaalsContact C-N 3.3Å; F86-S88 PolarHBondContact O-N 3.19Å
89	W	94.7	Very high	88.1	Confident	85 Å²	85	89.3 Å²	89.3	32%	0.322	46%	0.46	S	S	.	.	S	Bend	trans	-70.7	154.9	179.3	-65.3	-19.2	0	0	0	113.9	T85 F86 Q87 E93 K94 A97	T85-W89 HydrophobicContact CG2-CZ2 3.96Å; T85-W89 PolarHBondContact O-N 3.21Å; F86-W89 HydrophobicContact CB-CE3 4.49Å; F86-W89 AromaticContact CD2-CE3 3.66Å; F86-W89 HydrophobicContact CD2-CE3 3.66Å; F86-W89 AromaticContact CD2-CZ3 3.55Å; F86-W89 HydrophobicContact CD2-CZ3 3.55Å; F86-W89 HydrophobicContact CE2-CE3 4.21Å; F86-W89 HydrophobicContact CE2-CZ3 4.19Å; F86-W89 HydrophobicContact CG-CE3 4.34Å; F86-W89 HydrophobicContact CG-CZ3 4.46Å; F86-W89 PolarHBondContact O-N 2.74Å; Q87-W89 VanDerWaalsContact C-N 3.34Å; W89-E93 HydrophobicContact CB-CB 3.98Å; W89-E93 HydrophobicContact CG-CB 4.44Å; W89-K94 HydrophobicContact CB-CG 3.96Å; W89-K94 WeakPolarHBondContact O-CE 3.36Å; W89-K94 PolarHBondContact O-NZ 3.01Å; W89-A97 HydrophobicContact CE3-CB 3.94Å; W89-A97 HydrophobicContact CH2-CB 4.18Å; W89-A97 HydrophobicContact CZ3-CB 3.31Å
90	S	89	Confident	88.5	Confident	57 Å²	57	92 Å²	92	40%	0.399	47%	0.471	S	S	.	.			trans	-71.3	167.8	173.4	70.3	0	0	0	0	112.2	E93 K94	S90-E93 VanDerWaalsContact CB-OE2 3.29Å; S90-E93 WeakPolarHBondContact CB-OE2 3.1Å; S90-E93 PolarHBondContact N-OE2 2.74Å; S90-E93 PolarHBondContact O-N 3.08Å; S90-E93 VanDerWaalsContact OG-CG 3.3Å; S90-E93 WeakPolarHBondContact OG-CG 3.38Å; S90-E93 PolarHBondContact OG-OE2 3.16Å; S90-K94 WeakPolarHBondContact O-CG 3.38Å; S90-K94 PolarHBondContact O-N 3.39Å
91	G	86.5	Confident	88.8	Confident	47 Å²	47	89 Å²	89	49%	0.485	46%	0.459	S	S	.	.	H	α-helix	trans	-55.4	-51.2	-178.2	0	0	0	0	0	114.2	K94 L95	G91-K94 PolarHBondContact O-N 3.42Å; G91-L95 WeakPolarHBondContact O-CG 3.47Å; G91-L95 PolarHBondContact O-N 3.41Å
92	P	90.9	Very high	88.8	Confident	99 Å²	99	85.6 Å²	85.6	64%	0.643	44%	0.444	S	S	*	.	H	α-helix	trans	-64	-39.5	177.7	-24.2	35.3	0	0	0	113.7	K94 L95 L96	P92-K94 VanDerWaalsContact C-N 3.32Å; P92-K94 PolarHBondContact O-N 3.17Å; P92-L95 PolarHBondContact O-N 3Å; P92-L96 PolarHBondContact O-N 3.07Å
93	E	89.2	Confident	88.8	Confident	105 Å²	105	86.5 Å²	86.5	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-64.2	-37.5	178	-70	166.8	153.9	0	0	111.8	W89 S90 L95 A97	W89-E93 HydrophobicContact CB-CB 3.98Å; W89-E93 HydrophobicContact CG-CB 4.44Å; S90-E93 VanDerWaalsContact CB-OE2 3.29Å; S90-E93 WeakPolarHBondContact CB-OE2 3.1Å; S90-E93 PolarHBondContact N-OE2 2.74Å; S90-E93 PolarHBondContact O-N 3.08Å; S90-E93 VanDerWaalsContact OG-CG 3.3Å; S90-E93 WeakPolarHBondContact OG-CG 3.38Å; S90-E93 PolarHBondContact OG-OE2 3.16Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-A97 VanDerWaalsContact O-CB 3.3Å; E93-A97 WeakPolarHBondContact O-CB 3.3Å; E93-A97 PolarHBondContact O-N 3.23Å
94	K	90	Very high	89	Confident	60 Å²	60	88 Å²	88	26%	0.261	47%	0.473	S	S	.	.	H	α-helix	trans	-63.8	-38.7	173.4	-76.2	168.8	171.9	148.3	0	112.4	F86 Q87 W89 S90 G91 P92 L98	F86-K94 HydrophobicContact CE1-CD 4.47Å; F86-K94 HydrophobicContact CE1-CG 4.14Å; F86-K94 HydrophobicContact CE2-CB 4.36Å; F86-K94 HydrophobicContact CE2-CG 4.29Å; F86-K94 HydrophobicContact CZ-CB 3.98Å; F86-K94 HydrophobicContact CZ-CG 3.97Å; F86-K94 WeakPolarHBondContact O-CE 3.47Å; Q87-K94 PolarHBondContact O-NZ 3.42Å; W89-K94 HydrophobicContact CB-CG 3.96Å; W89-K94 WeakPolarHBondContact O-CE 3.36Å; W89-K94 PolarHBondContact O-NZ 3.01Å; S90-K94 WeakPolarHBondContact O-CG 3.38Å; S90-K94 PolarHBondContact O-N 3.39Å; G91-K94 PolarHBondContact O-N 3.42Å; P92-K94 VanDerWaalsContact C-N 3.32Å; P92-K94 PolarHBondContact O-N 3.17Å; K94-L98 WeakPolarHBondContact O-CB 3.29Å; K94-L98 WeakPolarHBondContact O-CD1 3.35Å; K94-L98 WeakPolarHBondContact O-CG 3.42Å; K94-L98 PolarHBondContact O-N 3.44Å
95	L	85.8	Confident	89.1	Confident	108 Å²	108	81 Å²	81	57%	0.565	45%	0.451	S	S	*	.	H	α-helix	trans	-69.2	-48.1	178.9	-69.1	173.2	0	0	0	111.1	G91 P92 E93 A97 L98 D99	G91-L95 WeakPolarHBondContact O-CG 3.47Å; G91-L95 PolarHBondContact O-N 3.41Å; P92-L95 PolarHBondContact O-N 3Å; E93-L95 VanDerWaalsContact C-N 3.34Å; L95-A97 VanDerWaalsContact C-N 3.29Å; L95-A97 PolarHBondContact O-N 3.37Å; L95-L98 WeakPolarHBondContact O-CA 3.49Å; L95-L98 WeakPolarHBondContact O-CB 3.19Å; L95-L98 PolarHBondContact O-N 2.99Å; L95-D99 PolarHBondContact O-N 3.44Å
96	L	90.1	Very high	89.2	Confident	111 Å²	111	83.6 Å²	83.6	58%	0.581	46%	0.459	S	S	*	.	H	α-helix	trans	-59.8	-41.5	177.3	-170.7	146.5	0	0	0	111.7	P92 L98 D99 E100	P92-L96 PolarHBondContact O-N 3.07Å; L96-L98 VanDerWaalsContact C-N 3.3Å; L96-L98 PolarHBondContact O-N 3.19Å; L96-D99 PolarHBondContact O-N 2.97Å; L96-E100 HydrophobicContact CD2-CG 4.26Å; L96-E100 WeakPolarHBondContact O-CG 3.18Å; L96-E100 PolarHBondContact O-N 3.4Å
97	A	87.9	Confident	89	Confident	23 Å²	23	87.2 Å²	87.2	19%	0.19	49%	0.486	C	S	.	.	H	α-helix	trans	-67.7	-28.6	175.3	0	0	0	0	0	113.7	F86 W89 E93 L95 L101	F86-A97 HydrophobicContact CE2-CB 4.26Å; W89-A97 HydrophobicContact CE3-CB 3.94Å; W89-A97 HydrophobicContact CH2-CB 4.18Å; W89-A97 HydrophobicContact CZ3-CB 3.31Å; E93-A97 VanDerWaalsContact O-CB 3.3Å; E93-A97 WeakPolarHBondContact O-CB 3.3Å; E93-A97 PolarHBondContact O-N 3.23Å; L95-A97 VanDerWaalsContact C-N 3.29Å; L95-A97 PolarHBondContact O-N 3.37Å; A97-L101 WeakPolarHBondContact O-CB 3.3Å; A97-L101 PolarHBondContact O-N 2.89Å; A97-L101 VanDerWaalsContact O-N 3.08Å
98	L	88.4	Confident	88.7	Confident	65 Å²	65	85.4 Å²	85.4	34%	0.34	48%	0.484	S	S	.	.	H	α-helix	trans	-74.1	-38.2	173.6	-75.5	168.5	0	0	0	111.4	F86 K94 L95 L96 L101 I102	F86-L98 HydrophobicContact CE2-CD2 4.42Å; F86-L98 HydrophobicContact CE2-CG 4.22Å; F86-L98 HydrophobicContact CZ-CD1 4.16Å; F86-L98 HydrophobicContact CZ-CD2 4.11Å; F86-L98 HydrophobicContact CZ-CG 3.93Å; K94-L98 WeakPolarHBondContact O-CB 3.29Å; K94-L98 WeakPolarHBondContact O-CD1 3.35Å; K94-L98 WeakPolarHBondContact O-CG 3.42Å; K94-L98 PolarHBondContact O-N 3.44Å; L95-L98 WeakPolarHBondContact O-CA 3.49Å; L95-L98 WeakPolarHBondContact O-CB 3.19Å; L95-L98 PolarHBondContact O-N 2.99Å; L96-L98 VanDerWaalsContact C-N 3.3Å; L96-L98 PolarHBondContact O-N 3.19Å; L98-L101 HydrophobicContact CD2-CD2 4.42Å; L98-L101 PolarHBondContact O-N 3.11Å; L98-I102 WeakPolarHBondContact O-CB 3.44Å; L98-I102 WeakPolarHBondContact O-CD1 3.28Å; L98-I102 WeakPolarHBondContact O-CG1 3.49Å; L98-I102 PolarHBondContact O-N 3.33Å
99	D	85.9	Confident	88.4	Confident	96 Å²	96	85.2 Å²	85.2	51%	0.513	47%	0.473	S	S	.	.	H	α-helix	trans	-62.1	-50.4	175.9	-67.4	-23.8	0	0	0	110.3	L95 L96 L101 I102 D103	L95-D99 PolarHBondContact O-N 3.44Å; L96-D99 PolarHBondContact O-N 2.97Å; D99-L101 VanDerWaalsContact C-N 3.3Å; D99-L101 PolarHBondContact O-N 3.31Å; D99-I102 PolarHBondContact O-N 2.95Å; D99-I102 VanDerWaalsContact O-N 3.1Å; D99-D103 PolarHBondContact O-N 3.25Å
100	E	91.1	Very high	87.8	Confident	122 Å²	122	83.4 Å²	83.4	57%	0.57	47%	0.472	S	S	*	.	H	α-helix	trans	-62.2	-35	175.5	-68.4	-67.9	154.2	0	0	112.9	L96 S104	L96-E100 HydrophobicContact CD2-CG 4.26Å; L96-E100 WeakPolarHBondContact O-CG 3.18Å; L96-E100 PolarHBondContact O-N 3.4Å; E100-S104 WeakPolarHBondContact O-CB 3.41Å; E100-S104 PolarHBondContact O-N 3.04Å; E100-S104 PolarHBondContact O-OG 3.32Å
101	L	87.8	Confident	87.5	Confident	64 Å²	64	87.4 Å²	87.4	34%	0.335	48%	0.482	S	S	.	.	H	α-helix	trans	-67.4	-39.5	174.6	-172.8	81	0	0	0	111.6	A97 L98 D99 S104 C105	A97-L101 WeakPolarHBondContact O-CB 3.3Å; A97-L101 PolarHBondContact O-N 2.89Å; A97-L101 VanDerWaalsContact O-N 3.08Å; L98-L101 HydrophobicContact CD2-CD2 4.42Å; L98-L101 PolarHBondContact O-N 3.11Å; D99-L101 VanDerWaalsContact C-N 3.3Å; D99-L101 PolarHBondContact O-N 3.31Å; L101-S104 WeakPolarHBondContact CA-OG 3.43Å; L101-S104 PolarHBondContact O-N 3.31Å; L101-S104 PolarHBondContact O-OG 3.03Å; L101-C105 PolarHBondContact O-N 2.84Å; L101-C105 PolarHBondContact O-SG 2.55Å
102	I	85.1	Confident	87.2	Confident	70 Å²	70	88.8 Å²	88.8	36%	0.359	48%	0.476	S	S	.	.	H	α-helix	trans	-68.6	-42.7	178.2	-71.4	163.2	0	0	0	110.1	L98 D99 S104 C105 M113	L98-I102 WeakPolarHBondContact O-CB 3.44Å; L98-I102 WeakPolarHBondContact O-CD1 3.28Å; L98-I102 WeakPolarHBondContact O-CG1 3.49Å; L98-I102 PolarHBondContact O-N 3.33Å; D99-I102 PolarHBondContact O-N 2.95Å; D99-I102 VanDerWaalsContact O-N 3.1Å; I102-S104 PolarHBondContact O-N 2.83Å; I102-C105 WeakPolarHBondContact O-CB 3.38Å; I102-C105 PolarHBondContact O-N 2.77Å; I102-C105 VanDerWaalsContact O-N 3.1Å; I102-M113 HydrophobicContact CD1-CE 4.44Å; I102-M113 HydrophobicContact CG1-CE 3.74Å
103	D	88	Confident	86.8	Confident	132 Å²	132	86.3 Å²	86.3	71%	0.706	46%	0.456	S	S	*	.	H	α-helix	trans	-65.8	-24.5	179.6	-74.7	-14.5	0	0	0	112.9	D99	D99-D103 PolarHBondContact O-N 3.25Å
104	S	89.6	Confident	86.2	Confident	91 Å²	91	87 Å²	87	64%	0.636	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.3	175.3	54.7	0	0	0	0	114.9	E100 L101 I102	E100-S104 WeakPolarHBondContact O-CB 3.41Å; E100-S104 PolarHBondContact O-N 3.04Å; E100-S104 PolarHBondContact O-OG 3.32Å; L101-S104 WeakPolarHBondContact CA-OG 3.43Å; L101-S104 PolarHBondContact O-N 3.31Å; L101-S104 PolarHBondContact O-OG 3.03Å; I102-S104 PolarHBondContact O-N 2.83Å
105	C	89.7	Confident	85.5	Confident	34 Å²	34	89.5 Å²	89.5	23%	0.23	47%	0.473	C	S	.	.	S	Bend	trans	-87.8	145	179.7	-75.2	0	0	0	0	113.7	L101 I102 Q109 V110	L101-C105 PolarHBondContact O-N 2.84Å; L101-C105 PolarHBondContact O-SG 2.55Å; I102-C105 WeakPolarHBondContact O-CB 3.38Å; I102-C105 PolarHBondContact O-N 2.77Å; I102-C105 VanDerWaalsContact O-N 3.1Å; C105-Q109 HydrophobicContact CB-CB 4.08Å; C105-V110 HydrophobicContact CB-CG2 3.76Å
106	E	91.4	Very high	85.1	Confident	119 Å²	119	87.9 Å²	87.9	56%	0.556	47%	0.468	S	S	*	.			trans	-73	156	169	-69.1	-176.5	179.4	0	0	111.9	T108 Q109 V110	E106-T108 PolarHBondContact O-N 3.17Å; E106-Q109 HydrophobicContact CB-CG 4.3Å; E106-Q109 WeakPolarHBondContact O-CA 3.25Å; E106-Q109 WeakPolarHBondContact O-CB 3.39Å; E106-Q109 PolarHBondContact O-N 3.34Å; E106-V110 PolarHBondContact O-N 3.4Å
107	P	86.2	Confident	84.3	Confident	112 Å²	112	86 Å²	86	73%	0.727	46%	0.458	S	S	*	.	H	α-helix	trans	-54.7	-31	-179.3	-28.1	35.1	0	0	0	114.9	K111	P107-K111 WeakPolarHBondContact O-CB 3.17Å; P107-K111 PolarHBondContact O-N 3.37Å
108	T	83.9	Confident	83.2	Confident	99 Å²	99	90.5 Å²	90.5	61%	0.607	48%	0.475	S	S	*	.	H	α-helix	trans	-70.2	-34.9	176	52.9	0	0	0	0	112.3	E106 H112	E106-T108 PolarHBondContact O-N 3.17Å; T108-H112 PolarHBondContact O-N 3.02Å; T108-H112 VanDerWaalsContact O-N 3.12Å
109	Q	86	Confident	82	Confident	91 Å²	91	90.9 Å²	90.9	43%	0.425	48%	0.481	S	S	.	.	H	α-helix	trans	-75.1	-41.8	177.3	-61.5	169	-10.1	0	0	110.7	C105 E106 K111 H112 M113	C105-Q109 HydrophobicContact CB-CB 4.08Å; E106-Q109 HydrophobicContact CB-CG 4.3Å; E106-Q109 WeakPolarHBondContact O-CA 3.25Å; E106-Q109 WeakPolarHBondContact O-CB 3.39Å; E106-Q109 PolarHBondContact O-N 3.34Å; Q109-K111 VanDerWaalsContact C-N 3.33Å; Q109-K111 PolarHBondContact O-N 2.93Å; Q109-H112 WeakPolarHBondContact O-CB 3.32Å; Q109-H112 PolarHBondContact O-N 3.35Å; Q109-H112 VanDerWaalsContact O-N 3.11Å; Q109-M113 WeakPolarHBondContact O-CG 3.45Å; Q109-M113 PolarHBondContact O-N 3.45Å
110	V	82.4	Confident	80.7	Confident	47 Å²	47	91.5 Å²	91.5	29%	0.285	48%	0.481	S	S	.	.	H	α-helix	trans	-59.7	-44.1	172.7	178.3	0	0	0	0	110.8	C105 E106 H112 M113 M114	C105-V110 HydrophobicContact CB-CG2 3.76Å; E106-V110 PolarHBondContact O-N 3.4Å; V110-H112 VanDerWaalsContact C-N 3.3Å; V110-H112 PolarHBondContact O-N 3.4Å; V110-M113 WeakPolarHBondContact O-CB 3.39Å; V110-M113 PolarHBondContact O-N 3.35Å; V110-M114 WeakPolarHBondContact O-CG 3.45Å; V110-M114 PolarHBondContact O-N 3.19Å
111	K	80.9	Confident	79	Confident	140 Å²	140	93.8 Å²	93.8	61%	0.609	49%	0.489	S	S	*	.	H	α-helix	trans	-60.8	-38.5	174.8	-171	176.3	-177	176.3	0	112.3	P107 Q109 Q115	P107-K111 WeakPolarHBondContact O-CB 3.17Å; P107-K111 PolarHBondContact O-N 3.37Å; Q109-K111 VanDerWaalsContact C-N 3.33Å; Q109-K111 PolarHBondContact O-N 2.93Å; K111-Q115 WeakPolarHBondContact O-CG 3.36Å; K111-Q115 PolarHBondContact O-N 2.99Å; K111-Q115 VanDerWaalsContact O-N 3.17Å
112	H	82.1	Confident	77.7	Confident	77 Å²	77	98 Å²	98	36%	0.356	51%	0.507	S	S	.	.	H	α-helix	trans	-67.4	-42.4	174.5	-174.9	65.5	0	0	0	112	T108 Q109 V110 M114 Q115 V116	T108-H112 PolarHBondContact O-N 3.02Å; T108-H112 VanDerWaalsContact O-N 3.12Å; Q109-H112 WeakPolarHBondContact O-CB 3.32Å; Q109-H112 PolarHBondContact O-N 3.35Å; Q109-H112 VanDerWaalsContact O-N 3.11Å; V110-H112 VanDerWaalsContact C-N 3.3Å; V110-H112 PolarHBondContact O-N 3.4Å; H112-M114 PolarHBondContact O-N 3.1Å; H112-Q115 WeakPolarHBondContact O-CB 3.17Å; H112-Q115 PolarHBondContact O-N 3.33Å; H112-V116 WeakPolarHBondContact O-CG2 3.12Å; H112-V116 PolarHBondContact O-N 3.4Å; H112-V116 VanDerWaalsContact O-N 3.11Å
113	M	81.7	Confident	76.8	Confident	46 Å²	46	103 Å²	103	23%	0.227	52%	0.521	C	S	.	.	H	α-helix	trans	-59.6	-46.3	174.8	-72.6	175.4	63.9	0	0	111.4	I102 Q109 V110 Q115 V116 I117	I102-M113 HydrophobicContact CD1-CE 4.44Å; I102-M113 HydrophobicContact CG1-CE 3.74Å; Q109-M113 WeakPolarHBondContact O-CG 3.45Å; Q109-M113 PolarHBondContact O-N 3.45Å; V110-M113 WeakPolarHBondContact O-CB 3.39Å; V110-M113 PolarHBondContact O-N 3.35Å; M113-Q115 VanDerWaalsContact C-N 3.31Å; M113-Q115 PolarHBondContact O-N 3.21Å; M113-V116 PolarHBondContact O-N 3.23Å; M113-I117 HydrophobicContact CB-CD1 4.29Å; M113-I117 VanDerWaalsContact O-CB 3.32Å; M113-I117 WeakPolarHBondContact O-CB 3.47Å; M113-I117 VanDerWaalsContact O-CG1 3.23Å; M113-I117 WeakPolarHBondContact O-CG1 3.23Å; M113-I117 PolarHBondContact O-N 2.84Å
114	M	75.9	Confident	76.4	Confident	119 Å²	119	99.3 Å²	99.3	59%	0.586	50%	0.502	S	S	*	.	H	α-helix	trans	-55.5	-46.1	174.9	-73	-173.8	71.8	0	0	111.6	V110 H112 V116 I117 E118	V110-M114 WeakPolarHBondContact O-CG 3.45Å; V110-M114 PolarHBondContact O-N 3.19Å; H112-M114 PolarHBondContact O-N 3.1Å; M114-V116 PolarHBondContact O-N 2.82Å; M114-I117 PolarHBondContact O-N 2.83Å; M114-E118 WeakPolarHBondContact O-CB 3.36Å; M114-E118 PolarHBondContact O-N 3.23Å
115	Q	76.2	Confident	76.2	Confident	114 Å²	114	101.5 Å²	101.5	53%	0.533	50%	0.5	S	S	.	.	H	α-helix	trans	-61.7	-28.8	176.8	-71.6	173.9	-8.4	0	0	113.8	K111 H112 M113 P119	K111-Q115 WeakPolarHBondContact O-CG 3.36Å; K111-Q115 PolarHBondContact O-N 2.99Å; K111-Q115 VanDerWaalsContact O-N 3.17Å; H112-Q115 WeakPolarHBondContact O-CB 3.17Å; H112-Q115 PolarHBondContact O-N 3.33Å; M113-Q115 VanDerWaalsContact C-N 3.31Å; M113-Q115 PolarHBondContact O-N 3.21Å; Q115-P119 WeakPolarHBondContact O-CD 3.42Å; Q115-P119 WeakPolarHBondContact O-CG 3.32Å
116	V	76.8	Confident	76.1	Confident	74 Å²	74	100.4 Å²	100.4	45%	0.448	49%	0.492	S	S	.	.	H	α-helix	trans	-84.8	-32.3	178.6	174.2	0	0	0	0	111.8	H112 M113 M114	H112-V116 WeakPolarHBondContact O-CG2 3.12Å; H112-V116 PolarHBondContact O-N 3.4Å; H112-V116 VanDerWaalsContact O-N 3.11Å; M113-V116 PolarHBondContact O-N 3.23Å; M114-V116 PolarHBondContact O-N 2.82Å
117	I	72.9	Confident	75.9	Confident	72 Å²	72	97 Å²	97	37%	0.369	48%	0.481	S	S	.	.	H	α-helix	trans	-84.4	-42.4	-176.4	-71.2	171.1	0	0	0	111.5	M113 M114 P119 Q120 F121	M113-I117 HydrophobicContact CB-CD1 4.29Å; M113-I117 VanDerWaalsContact O-CB 3.32Å; M113-I117 WeakPolarHBondContact O-CB 3.47Å; M113-I117 VanDerWaalsContact O-CG1 3.23Å; M113-I117 WeakPolarHBondContact O-CG1 3.23Å; M113-I117 PolarHBondContact O-N 2.84Å; M114-I117 PolarHBondContact O-N 2.83Å; I117-P119 VanDerWaalsContact C-CD 3.47Å; I117-Q120 WeakPolarHBondContact O-CA 3.49Å; I117-Q120 WeakPolarHBondContact O-CB 3.41Å; I117-Q120 PolarHBondContact O-N 2.85Å; I117-F121 HydrophobicContact CG2-CD2 3.48Å; I117-F121 VanDerWaalsContact CG2-CD2 3.48Å; I117-F121 HydrophobicContact CG2-CE2 3.28Å; I117-F121 PolarHBondContact O-N 3.11Å
118	E	65.5	Low	75.9	Confident	117 Å²	117	97.4 Å²	97.4	55%	0.547	48%	0.476	S	S	.	.	H	α-helix	trans	-52.9	-41.5	-176	-176.7	173.6	-164.9	0	0	113.6	M114 Q120 F121 Q122	M114-E118 WeakPolarHBondContact O-CB 3.36Å; M114-E118 PolarHBondContact O-N 3.23Å; E118-Q120 PolarHBondContact O-N 3.24Å; E118-F121 PolarHBondContact O-N 3.03Å; E118-Q122 WeakPolarHBondContact O-CG 3.36Å; E118-Q122 PolarHBondContact O-N 3.23Å
119	P	63.9	Low	76.2	Confident	73 Å²	73	94.2 Å²	94.2	47%	0.474	46%	0.456	S	S	.	.	H	α-helix	trans	-64.8	-21	173.7	-21.9	34.2	0	0	0	114.7	Q115 I117	Q115-P119 WeakPolarHBondContact O-CD 3.42Å; Q115-P119 WeakPolarHBondContact O-CG 3.32Å; I117-P119 VanDerWaalsContact C-CD 3.47Å
120	Q	57	Low	76.6	Confident	109 Å²	109	93.8 Å²	93.8	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-83.1	-23.4	177.4	-60.6	-157.4	38.9	0	0	112.9	I117 E118	I117-Q120 WeakPolarHBondContact O-CA 3.49Å; I117-Q120 WeakPolarHBondContact O-CB 3.41Å; I117-Q120 PolarHBondContact O-N 2.85Å; E118-Q120 PolarHBondContact O-N 3.24Å
121	F	55.3	Low	77	Confident	170 Å²	170	97.3 Å²	97.3	75%	0.746	47%	0.472	S	S	*	.	H	α-helix	trans	-83.7	-13.1	171.9	-76.7	-78.2	0	0	0	113.1	I117 E118 R123	I117-F121 HydrophobicContact CG2-CD2 3.48Å; I117-F121 VanDerWaalsContact CG2-CD2 3.48Å; I117-F121 HydrophobicContact CG2-CE2 3.28Å; I117-F121 PolarHBondContact O-N 3.11Å; E118-F121 PolarHBondContact O-N 3.03Å; F121-R123 PolarHBondContact O-N 3.17Å
122	Q	60.4	Low	77.7	Confident	152 Å²	152	98.4 Å²	98.4	71%	0.71	48%	0.479	S	S	*	.			trans	-73.1	24.4	171.7	-69.4	-90.1	-16.8	0	0	113.5	E118	E118-Q122 WeakPolarHBondContact O-CG 3.36Å; E118-Q122 PolarHBondContact O-N 3.23Å
123	R	67.6	Low	78.3	Confident	175 Å²	175	99 Å²	99	66%	0.66	49%	0.485	S	S	*	.			trans	-73.5	136.1	174.6	-75	-177.4	179.1	-170.5	1.5	109.2	F121 F125 L128	F121-R123 PolarHBondContact O-N 3.17Å; R123-F125 VanDerWaalsContact C-N 3.34Å; R123-F125 PolarHBondContact O-N 3.12Å; R123-L128 HydrophobicContact CB-CD1 4.18Å
124	D	78.3	Confident	78.9	Confident	55 Å²	55	96.8 Å²	96.8	29%	0.294	47%	0.474	S	S	.	.			trans	-62.1	92.3	176.5	179.8	-1.7	0	0	0	110.6	I126 S127 L128 W156	D124-I126 VanDerWaalsContact C-N 3.28Å; D124-I126 PolarHBondContact O-N 3.02Å; D124-I126 PolarHBondContact OD1-N 3.36Å; D124-S127 VanDerWaalsContact CG-CB 3.47Å; D124-S127 WeakPolarHBondContact O-CB 3.41Å; D124-S127 PolarHBondContact O-N 2.84Å; D124-S127 VanDerWaalsContact O-N 3.1Å; D124-S127 PolarHBondContact OD1-N 3.49Å; D124-S127 VanDerWaalsContact OD1-N 3.17Å; D124-S127 VanDerWaalsContact OD2-CB 3.32Å; D124-S127 WeakPolarHBondContact OD2-CB 3.44Å; D124-S127 PolarHBondContact OD2-OG 3.08Å; D124-L128 PolarHBondContact O-N 3.35Å; D124-W156 PolarHBondContact OD1-NE1 2.87Å; D124-W156 VanDerWaalsContact OD2-CD1 3.29Å; D124-W156 PolarHBondContact OD2-NE1 3.31Å
125	F	85.3	Confident	79.8	Confident	137 Å²	137	92.7 Å²	92.7	60%	0.601	45%	0.454	S	S	*	.	H	α-helix	trans	-59.9	-37.6	-176.2	179.1	-100.9	0	0	0	112.3	R123 S127 L128 L129	R123-F125 VanDerWaalsContact C-N 3.34Å; R123-F125 PolarHBondContact O-N 3.12Å; F125-S127 VanDerWaalsContact C-N 3.29Å; F125-S127 PolarHBondContact O-N 3.44Å; F125-L128 PolarHBondContact O-N 2.9Å; F125-L129 HydrophobicContact CD1-CD1 3.99Å; F125-L129 HydrophobicContact CD1-CG 4.19Å; F125-L129 HydrophobicContact CE1-CD1 3.56Å; F125-L129 HydrophobicContact CE1-CD2 3.95Å; F125-L129 HydrophobicContact CE1-CG 3.84Å; F125-L129 HydrophobicContact CE2-CD2 4.39Å; F125-L129 HydrophobicContact CZ-CD1 4.25Å; F125-L129 HydrophobicContact CZ-CD2 3.76Å; F125-L129 HydrophobicContact CZ-CG 4.12Å; F125-L129 PolarHBondContact O-N 2.96Å
126	I	89.1	Confident	80.8	Confident	10 Å²	10	94.2 Å²	94.2	5%	0.051	46%	0.456	C	S	.	.	H	α-helix	trans	-63.2	-37.1	176.8	-70.2	-65	0	0	0	111.2	D124 L128 L129 A134 V137 W156 L159	D124-I126 VanDerWaalsContact C-N 3.28Å; D124-I126 PolarHBondContact O-N 3.02Å; D124-I126 PolarHBondContact OD1-N 3.36Å; I126-L128 PolarHBondContact O-N 3Å; I126-L129 HydrophobicContact CD1-CD1 4.32Å; I126-L129 PolarHBondContact O-N 3.19Å; I126-A134 HydrophobicContact CG2-CB 4.12Å; I126-V137 HydrophobicContact CD1-CB 3.98Å; I126-V137 HydrophobicContact CD1-CG1 3.72Å; I126-W156 HydrophobicContact CB-CH2 4.14Å; I126-W156 HydrophobicContact CB-CZ2 3.45Å; I126-W156 VanDerWaalsContact CB-CZ2 3.45Å; I126-W156 HydrophobicContact CG1-CH2 3.55Å; I126-W156 HydrophobicContact CG1-CZ2 3.36Å; I126-W156 HydrophobicContact CG1-CZ3 4.39Å; I126-W156 HydrophobicContact CG2-CD2 4.28Å; I126-W156 HydrophobicContact CG2-CZ2 4.04Å; I126-L159 HydrophobicContact CG2-CD1 3.63Å
127	S	86.1	Confident	81.7	Confident	47 Å²	47	93.7 Å²	93.7	33%	0.329	45%	0.453	S	S	.	.	H	α-helix	trans	-69.8	-16.9	174.5	-71.9	0	0	0	0	114.1	D124 F125 Y155	D124-S127 VanDerWaalsContact CG-CB 3.47Å; D124-S127 WeakPolarHBondContact O-CB 3.41Å; D124-S127 PolarHBondContact O-N 2.84Å; D124-S127 VanDerWaalsContact O-N 3.1Å; D124-S127 PolarHBondContact OD1-N 3.49Å; D124-S127 VanDerWaalsContact OD1-N 3.17Å; D124-S127 VanDerWaalsContact OD2-CB 3.32Å; D124-S127 WeakPolarHBondContact OD2-CB 3.44Å; D124-S127 PolarHBondContact OD2-OG 3.08Å; F125-S127 VanDerWaalsContact C-N 3.29Å; F125-S127 PolarHBondContact O-N 3.44Å; S127-Y155 WeakPolarHBondContact OG-CD1 3.38Å
128	L	87.3	Confident	82.8	Confident	121 Å²	121	90.3 Å²	90.3	63%	0.634	44%	0.436	S	S	*	.	H	α-helix	trans	-94.9	-15.7	178.7	-63.3	173.6	0	0	0	113.2	R123 D124 F125 I126	R123-L128 HydrophobicContact CB-CD1 4.18Å; D124-L128 PolarHBondContact O-N 3.35Å; F125-L128 PolarHBondContact O-N 2.9Å; I126-L128 PolarHBondContact O-N 3Å
129	L	89.3	Confident	84.3	Confident	33 Å²	33	86.1 Å²	86.1	17%	0.173	42%	0.419	C	S	.	.	S	Bend	trans	-77.9	150.2	178.1	-73.5	179.1	0	0	0	112.3	F125 I126 L133 A134 V137	F125-L129 HydrophobicContact CD1-CD1 3.99Å; F125-L129 HydrophobicContact CD1-CG 4.19Å; F125-L129 HydrophobicContact CE1-CD1 3.56Å; F125-L129 HydrophobicContact CE1-CD2 3.95Å; F125-L129 HydrophobicContact CE1-CG 3.84Å; F125-L129 HydrophobicContact CE2-CD2 4.39Å; F125-L129 HydrophobicContact CZ-CD1 4.25Å; F125-L129 HydrophobicContact CZ-CD2 3.76Å; F125-L129 HydrophobicContact CZ-CG 4.12Å; F125-L129 PolarHBondContact O-N 2.96Å; I126-L129 HydrophobicContact CD1-CD1 4.32Å; I126-L129 PolarHBondContact O-N 3.19Å; L129-L133 HydrophobicContact CB-CB 4.43Å; L129-L133 HydrophobicContact CD1-CB 4.39Å; L129-A134 HydrophobicContact CB-CB 4.23Å; L129-V137 HydrophobicContact CD1-CG2 4.22Å
130	P	94.4	Very high	85.8	Confident	81 Å²	81	89.2 Å²	89.2	53%	0.526	43%	0.425	S	S	.	.			trans	-50.3	141	159.4	-25	33.7	0	0	0	111.1	E132 L133 A134	P130-E132 PolarHBondContact O-N 3.42Å; P130-E132 VanDerWaalsContact O-N 3.12Å; P130-L133 HydrophobicContact CB-CG 4.46Å; P130-L133 HydrophobicContact CG-CD1 4.12Å; P130-L133 PolarHBondContact O-N 3.04Å; P130-A134 PolarHBondContact O-N 3.33Å
131	K	91.4	Very high	87.6	Confident	122 Å²	122	86.5 Å²	86.5	53%	0.53	41%	0.414	S	S	.	.	H	α-helix	trans	-53	-40	-173.4	-173.8	-179.8	178.1	-170	0	113.2	A134 L135 L159	K131-A134 PolarHBondContact O-N 2.88Å; K131-L135 HydrophobicContact CG-CD1 4.29Å; K131-L135 WeakPolarHBondContact O-CG 3.18Å; K131-L135 PolarHBondContact O-N 3.33Å; K131-L159 HydrophobicContact CG-CD2 3.85Å
132	E	94.6	Very high	89.6	Confident	162 Å²	162	84 Å²	84	76%	0.757	40%	0.404	S	S	*	.	H	α-helix	trans	-65	-43.8	179.6	-66.3	174.4	-170.3	0	0	112	P130 L135 Y136	P130-E132 PolarHBondContact O-N 3.42Å; P130-E132 VanDerWaalsContact O-N 3.12Å; E132-L135 PolarHBondContact O-N 3.1Å; E132-Y136 WeakPolarHBondContact O-CB 3.44Å; E132-Y136 PolarHBondContact O-N 3.17Å
133	L	95.1	Very high	91.2	Very high	90 Å²	90	77 Å²	77	47%	0.471	37%	0.372	S	S	.	.	H	α-helix	trans	-67.7	-38	176.3	-63.8	-177.5	0	0	0	111.4	L129 P130 Y136 V137	L129-L133 HydrophobicContact CB-CB 4.43Å; L129-L133 HydrophobicContact CD1-CB 4.39Å; P130-L133 HydrophobicContact CB-CG 4.46Å; P130-L133 HydrophobicContact CG-CD1 4.12Å; P130-L133 PolarHBondContact O-N 3.04Å; L133-Y136 PolarHBondContact O-N 2.66Å; L133-V137 VanDerWaalsContact O-CG2 3.31Å; L133-V137 WeakPolarHBondContact O-CG2 3.5Å; L133-V137 PolarHBondContact O-N 3.33Å
134	A	94.5	Very high	92.5	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-61	-45	173.2	0	0	0	0	0	111.7	I126 L129 P130 K131 V137 L138 L159	I126-A134 HydrophobicContact CG2-CB 4.12Å; L129-A134 HydrophobicContact CB-CB 4.23Å; P130-A134 PolarHBondContact O-N 3.33Å; K131-A134 PolarHBondContact O-N 2.88Å; A134-V137 PolarHBondContact O-N 3.03Å; A134-L138 VanDerWaalsContact O-CG 3.31Å; A134-L138 WeakPolarHBondContact O-CG 3.49Å; A134-L138 PolarHBondContact O-N 2.86Å; A134-L159 HydrophobicContact CB-CD1 3.9Å
135	L	95.4	Very high	93.3	Very high	33 Å²	33	77 Å²	77	17%	0.173	38%	0.378	C	S	.	.	H	α-helix	trans	-65.9	-38.6	176.3	-72.5	174.5	0	0	0	112.4	K131 E132 V137 L138 S139 L159 D162	K131-L135 HydrophobicContact CG-CD1 4.29Å; K131-L135 WeakPolarHBondContact O-CG 3.18Å; K131-L135 PolarHBondContact O-N 3.33Å; E132-L135 PolarHBondContact O-N 3.1Å; L135-V137 VanDerWaalsContact C-N 3.35Å; L135-L138 CarbonylContact O-C 3.57Å; L135-L138 PolarHBondContact O-N 3.5Å; L135-S139 PolarHBondContact O-N 3.33Å; L135-L159 HydrophobicContact CD2-CB 4.45Å; L135-L159 HydrophobicContact CD2-CD2 4.34Å; L135-L159 HydrophobicContact CG-CD2 4.48Å; L135-D162 HydrophobicContact CD2-CB 3.62Å
136	Y	96.4	Very high	93.9	Very high	145 Å²	145	70.5 Å²	70.5	57%	0.569	35%	0.35	S	S	*	.	H	α-helix	trans	-63	-39.5	173.5	-176.8	-108.8	0	0	0	112	E132 L133 L138 S139 F140	E132-Y136 WeakPolarHBondContact O-CB 3.44Å; E132-Y136 PolarHBondContact O-N 3.17Å; L133-Y136 PolarHBondContact O-N 2.66Å; Y136-L138 VanDerWaalsContact C-N 3.34Å; Y136-S139 PolarHBondContact O-N 2.96Å; Y136-S139 PolarHBondContact O-OG 3.31Å; Y136-F140 AromaticContact CD1-CE2 3.9Å; Y136-F140 HydrophobicContact CD1-CE2 3.9Å; Y136-F140 HydrophobicContact CD2-CE2 4.39Å; Y136-F140 AromaticContact CE1-CE2 3.55Å; Y136-F140 HydrophobicContact CE1-CE2 3.55Å; Y136-F140 AromaticContact CE1-CZ 3.91Å; Y136-F140 HydrophobicContact CE1-CZ 3.91Å; Y136-F140 HydrophobicContact CE2-CE2 4.07Å; Y136-F140 HydrophobicContact CE2-CZ 4.11Å; Y136-F140 HydrophobicContact CG-CE2 4.32Å; Y136-F140 AromaticContact CZ-CE2 3.64Å; Y136-F140 AromaticContact CZ-CZ 3.6Å; Y136-F140 WeakPolarHBondContact O-CD2 3.47Å; Y136-F140 VanDerWaalsContact O-CE2 3.28Å; Y136-F140 WeakPolarHBondContact O-CE2 3.44Å
137	V	96.3	Very high	94.1	Very high	64 Å²	64	72.6 Å²	72.6	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-63.8	-42.6	172.5	173.1	0	0	0	0	110.8	I126 L129 L133 A134 L135 S139 F140	I126-V137 HydrophobicContact CD1-CB 3.98Å; I126-V137 HydrophobicContact CD1-CG1 3.72Å; L129-V137 HydrophobicContact CD1-CG2 4.22Å; L133-V137 VanDerWaalsContact O-CG2 3.31Å; L133-V137 WeakPolarHBondContact O-CG2 3.5Å; L133-V137 PolarHBondContact O-N 3.33Å; A134-V137 PolarHBondContact O-N 3.03Å; L135-V137 VanDerWaalsContact C-N 3.35Å; V137-S139 VanDerWaalsContact C-N 3.28Å; V137-S139 PolarHBondContact O-N 3.06Å; V137-F140 PolarHBondContact O-N 3.35Å
138	L	95.7	Very high	94.6	Very high	1 Å²	1	75.5 Å²	75.5	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-67.2	-24.9	178.2	-67.5	176.9	0	0	0	113.2	A134 L135 Y136 F140 L141 L146 W156 L159 L165	A134-L138 VanDerWaalsContact O-CG 3.31Å; A134-L138 WeakPolarHBondContact O-CG 3.49Å; A134-L138 PolarHBondContact O-N 2.86Å; L135-L138 CarbonylContact O-C 3.57Å; L135-L138 PolarHBondContact O-N 3.5Å; Y136-L138 VanDerWaalsContact C-N 3.34Å; L138-F140 PolarHBondContact O-N 2.95Å; L138-L141 HydrophobicContact CD2-CD1 3.66Å; L138-L141 WeakPolarHBondContact O-CB 3.49Å; L138-L141 PolarHBondContact O-N 3.37Å; L138-L141 VanDerWaalsContact O-N 3.09Å; L138-L146 HydrophobicContact CB-CD2 4.02Å; L138-L146 HydrophobicContact CD2-CD2 4.33Å; L138-L146 WeakPolarHBondContact O-CD2 3.45Å; L138-W156 HydrophobicContact CD2-CZ3 4.26Å; L138-L159 HydrophobicContact CD1-CB 3.71Å; L138-L165 HydrophobicContact CB-CD2 4.27Å
139	S	96	Very high	94.9	Very high	29 Å²	29	70.2 Å²	70.2	20%	0.203	34%	0.342	C	S	.	.	H	α-helix	trans	-67.6	-23.2	179.2	67.1	0	0	0	0	113.7	L135 Y136 V137 L141 K169	L135-S139 PolarHBondContact O-N 3.33Å; Y136-S139 PolarHBondContact O-N 2.96Å; Y136-S139 PolarHBondContact O-OG 3.31Å; V137-S139 VanDerWaalsContact C-N 3.28Å; V137-S139 PolarHBondContact O-N 3.06Å; S139-L141 PolarHBondContact O-N 3.4Å; S139-K169 PolarHBondContact O-NZ 3.07Å
140	F	96.1	Very high	95.1	Very high	138 Å²	138	69.2 Å²	69.2	61%	0.605	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-10.7	173.1	-66	-78.2	0	0	0	113.9	Y136 V137 L138	Y136-F140 AromaticContact CD1-CE2 3.9Å; Y136-F140 HydrophobicContact CD1-CE2 3.9Å; Y136-F140 HydrophobicContact CD2-CE2 4.39Å; Y136-F140 AromaticContact CE1-CE2 3.55Å; Y136-F140 HydrophobicContact CE1-CE2 3.55Å; Y136-F140 AromaticContact CE1-CZ 3.91Å; Y136-F140 HydrophobicContact CE1-CZ 3.91Å; Y136-F140 HydrophobicContact CE2-CE2 4.07Å; Y136-F140 HydrophobicContact CE2-CZ 4.11Å; Y136-F140 HydrophobicContact CG-CE2 4.32Å; Y136-F140 AromaticContact CZ-CE2 3.64Å; Y136-F140 AromaticContact CZ-CZ 3.6Å; Y136-F140 WeakPolarHBondContact O-CD2 3.47Å; Y136-F140 VanDerWaalsContact O-CE2 3.28Å; Y136-F140 WeakPolarHBondContact O-CE2 3.44Å; V137-F140 PolarHBondContact O-N 3.35Å; L138-F140 PolarHBondContact O-N 2.95Å
141	L	95.9	Very high	95	Very high	52 Å²	52	71.7 Å²	71.7	27%	0.272	34%	0.344	S	S	.	.	S	Bend	trans	-83.2	144.4	179.5	-62.5	-178.1	0	0	0	111.3	L138 S139 D145 L146 K169	L138-L141 HydrophobicContact CD2-CD1 3.66Å; L138-L141 WeakPolarHBondContact O-CB 3.49Å; L138-L141 PolarHBondContact O-N 3.37Å; L138-L141 VanDerWaalsContact O-N 3.09Å; S139-L141 PolarHBondContact O-N 3.4Å; L141-D145 HydrophobicContact CB-CB 4.17Å; L141-D145 HydrophobicContact CD2-CB 4.37Å; L141-L146 HydrophobicContact CB-CD2 3.99Å; L141-L146 HydrophobicContact CB-CG 3.99Å; L141-L146 HydrophobicContact CD1-CD2 4.17Å; L141-K169 WeakPolarHBondContact O-CE 3.45Å; L141-K169 PolarHBondContact O-NZ 3.23Å
142	E	95.4	Very high	94.9	Very high	116 Å²	116	70.1 Å²	70.1	54%	0.542	34%	0.344	S	S	.	.			trans	-70	154	168.5	-71.4	-59.4	148.8	0	0	110.6	K144 D145 L146	E142-K144 PolarHBondContact O-N 2.97Å; E142-K144 VanDerWaalsContact O-N 3.08Å; E142-D145 WeakPolarHBondContact O-CA 3.4Å; E142-D145 PolarHBondContact O-N 2.67Å; E142-L146 PolarHBondContact O-N 3.09Å
143	P	95.6	Very high	94.6	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.032	33%	0.325	C	S	.	.	H	α-helix	trans	-54.3	-33.5	-179.5	-31.3	38.9	0	0	0	114.4	D145 L146 L147 W166 K169 Y200	P143-D145 VanDerWaalsContact C-N 3.32Å; P143-D145 PolarHBondContact O-N 3Å; P143-L146 PolarHBondContact O-N 2.88Å; P143-L147 VanDerWaalsContact O-CG 3.28Å; P143-L147 WeakPolarHBondContact O-CG 3.38Å; P143-L147 PolarHBondContact O-N 3.32Å; P143-W166 HydrophobicContact CB-CH2 4.08Å; P143-W166 HydrophobicContact CB-CZ3 3.96Å; P143-K169 HydrophobicContact CG-CB 4.22Å; P143-K169 HydrophobicContact CG-CD 4.23Å; P143-K169 HydrophobicContact CG-CG 4.22Å; P143-Y200 HydrophobicContact CB-CD1 4.35Å; P143-Y200 HydrophobicContact CB-CE1 3.5Å; P143-Y200 HydrophobicContact CB-CE2 3.9Å; P143-Y200 WeakPolarHBondContact CB-OH 3.43Å; P143-Y200 HydrophobicContact CG-CE1 4.22Å; P143-Y200 HydrophobicContact CG-CE2 3.67Å; P143-Y200 VanDerWaalsContact CG-CZ 3.48Å; P143-Y200 VanDerWaalsContact CG-OH 3.31Å; P143-Y200 WeakPolarHBondContact CG-OH 3.35Å
144	K	94.4	Very high	94.1	Very high	157 Å²	157	71.3 Å²	71.3	68%	0.683	34%	0.343	S	S	*	.	H	α-helix	trans	-59.8	-44.8	174.7	-175.2	-173.6	176	-170.5	0	111.2	E142 L147 Q148	E142-K144 PolarHBondContact O-N 2.97Å; E142-K144 VanDerWaalsContact O-N 3.08Å; K144-L147 PolarHBondContact O-N 2.82Å; K144-Q148 WeakPolarHBondContact O-CG 3.4Å; K144-Q148 PolarHBondContact O-N 3.46Å
145	D	95.9	Very high	93.8	Very high	75 Å²	75	75.5 Å²	75.5	40%	0.401	36%	0.359	S	S	.	.	H	α-helix	trans	-74.1	-35.5	-178.6	-59.3	-33.6	0	0	0	110.6	L141 E142 P143 L147 Q148 A149	L141-D145 HydrophobicContact CB-CB 4.17Å; L141-D145 HydrophobicContact CD2-CB 4.37Å; E142-D145 WeakPolarHBondContact O-CA 3.4Å; E142-D145 PolarHBondContact O-N 2.67Å; P143-D145 VanDerWaalsContact C-N 3.32Å; P143-D145 PolarHBondContact O-N 3Å; D145-L147 VanDerWaalsContact C-N 3.3Å; D145-L147 PolarHBondContact O-N 3.08Å; D145-Q148 PolarHBondContact O-N 3.13Å; D145-Q148 VanDerWaalsContact O-N 3.12Å; D145-A149 WeakPolarHBondContact O-CB 3.24Å; D145-A149 PolarHBondContact O-N 2.96Å
146	L	96.2	Very high	93.7	Very high	0 Å²	0	76 Å²	76	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-58.9	-39.6	170.7	-71.9	176.1	0	0	0	112.7	L138 L141 E142 P143 Q148 A150 L165 W166 K169	L138-L146 HydrophobicContact CB-CD2 4.02Å; L138-L146 HydrophobicContact CD2-CD2 4.33Å; L138-L146 WeakPolarHBondContact O-CD2 3.45Å; L141-L146 HydrophobicContact CB-CD2 3.99Å; L141-L146 HydrophobicContact CB-CG 3.99Å; L141-L146 HydrophobicContact CD1-CD2 4.17Å; E142-L146 PolarHBondContact O-N 3.09Å; P143-L146 PolarHBondContact O-N 2.88Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; L146-A150 WeakPolarHBondContact O-CB 3.47Å; L146-A150 PolarHBondContact O-N 3.32Å; L146-L165 HydrophobicContact CD1-CD1 4.26Å; L146-L165 HydrophobicContact CD1-CD2 4.03Å; L146-L165 HydrophobicContact CD1-CG 4.15Å; L146-L165 HydrophobicContact CD2-CD2 3.9Å; L146-W166 HydrophobicContact CB-CH2 4.22Å; L146-W166 HydrophobicContact CB-CZ2 3.9Å; L146-W166 HydrophobicContact CD1-CH2 4.46Å; L146-W166 HydrophobicContact CD1-CZ2 4.26Å; L146-K169 HydrophobicContact CD1-CG 4.19Å
147	L	94.9	Very high	93.4	Very high	53 Å²	53	74.8 Å²	74.8	28%	0.277	35%	0.353	S	S	.	.	H	α-helix	trans	-70.1	-29.6	176	-67.9	173.4	0	0	0	112.8	P143 K144 D145 Q151 W166 I201	P143-L147 VanDerWaalsContact O-CG 3.28Å; P143-L147 WeakPolarHBondContact O-CG 3.38Å; P143-L147 PolarHBondContact O-N 3.32Å; K144-L147 PolarHBondContact O-N 2.82Å; D145-L147 VanDerWaalsContact C-N 3.3Å; D145-L147 PolarHBondContact O-N 3.08Å; L147-Q151 PolarHBondContact O-NE2 2.89Å; L147-W166 HydrophobicContact CD2-CH2 4.11Å; L147-W166 HydrophobicContact CD2-CZ2 4.17Å; L147-W166 HydrophobicContact CG-CH2 4.14Å; L147-I201 HydrophobicContact CD2-CD1 4.07Å; L147-I201 HydrophobicContact CD2-CG1 4.4Å
148	Q	95.4	Very high	93.2	Very high	109 Å²	109	76.7 Å²	76.7	51%	0.509	36%	0.36	S	S	.	.	H	α-helix	trans	-75.5	-45.9	172.3	-65.9	-61.7	-20.3	0	0	111.3	K144 D145 L146 A150 Q151	K144-Q148 WeakPolarHBondContact O-CG 3.4Å; K144-Q148 PolarHBondContact O-N 3.46Å; D145-Q148 PolarHBondContact O-N 3.13Å; D145-Q148 VanDerWaalsContact O-N 3.12Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; Q148-A150 PolarHBondContact O-N 3.26Å; Q148-Q151 WeakPolarHBondContact O-CA 3.28Å; Q148-Q151 WeakPolarHBondContact O-CB 3.37Å; Q148-Q151 PolarHBondContact O-N 3.11Å
149	A	93.4	Very high	93	Very high	9 Å²	9	76.9 Å²	76.9	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-53.2	-40.9	173.9	0	0	0	0	0	111.6	D145 Q151 T152 W156	D145-A149 WeakPolarHBondContact O-CB 3.24Å; D145-A149 PolarHBondContact O-N 2.96Å; A149-Q151 PolarHBondContact O-N 2.75Å; A149-Q151 VanDerWaalsContact O-N 3.09Å; A149-T152 WeakPolarHBondContact O-CB 3.34Å; A149-T152 PolarHBondContact O-N 2.97Å; A149-T152 VanDerWaalsContact O-N 3.13Å; A149-T152 PolarHBondContact O-OG1 3.13Å; A149-T152 VanDerWaalsContact O-OG1 3.11Å; A149-W156 HydrophobicContact CB-CE3 3.71Å; A149-W156 HydrophobicContact CB-CZ3 3.82Å; A149-W156 WeakPolarHBondContact O-CB 3.19Å
150	A	93.4	Very high	93	Very high	12 Å²	12	75.5 Å²	75.5	10%	0.099	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.2	175.9	0	0	0	0	0	114.5	L146 Q148 R157 A160	L146-A150 WeakPolarHBondContact O-CB 3.47Å; L146-A150 PolarHBondContact O-N 3.32Å; Q148-A150 PolarHBondContact O-N 3.26Å; A150-R157 VanDerWaalsContact O-CB 3.28Å; A150-R157 WeakPolarHBondContact O-CB 3.42Å; A150-R157 WeakPolarHBondContact O-CG 3.31Å; A150-A160 HydrophobicContact CB-CB 3.8Å
151	Q	92.4	Very high	92.9	Very high	134 Å²	134	69.8 Å²	69.8	63%	0.626	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-7.4	179	-63.1	172.3	57.8	0	0	113.1	L147 Q148 A149	L147-Q151 PolarHBondContact O-NE2 2.89Å; Q148-Q151 WeakPolarHBondContact O-CA 3.28Å; Q148-Q151 WeakPolarHBondContact O-CB 3.37Å; Q148-Q151 PolarHBondContact O-N 3.11Å; A149-Q151 PolarHBondContact O-N 2.75Å; A149-Q151 VanDerWaalsContact O-N 3.09Å
152	T	90.8	Very high	92.8	Very high	89 Å²	89	69.1 Å²	69.1	55%	0.546	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-58.5	-177.8	-55.6	0	0	0	0	112	A149 W156	A149-T152 WeakPolarHBondContact O-CB 3.34Å; A149-T152 PolarHBondContact O-N 2.97Å; A149-T152 VanDerWaalsContact O-N 3.13Å; A149-T152 PolarHBondContact O-OG1 3.13Å; A149-T152 VanDerWaalsContact O-OG1 3.11Å; T152-W156 HydrophobicContact CG2-CD2 4.34Å; T152-W156 HydrophobicContact CG2-CG 4.37Å
153	C	87	Confident	92.8	Very high	51 Å²	51	66.6 Å²	66.6	35%	0.345	31%	0.314	S	S	.	.			trans	-156.4	176.4	178	81	0	0	0	0	111.3	Y155 R157	C153-Y155 VanDerWaalsContact C-N 3.34Å; C153-Y155 PolarHBondContact O-N 2.91Å; C153-R157 WeakPolarHBondContact O-CB 3.3Å; C153-R157 PolarHBondContact O-N 2.99Å
154	R	85.6	Confident	92.8	Very high	225 Å²	225	71.9 Å²	71.9	85%	0.849	34%	0.341	S	S	*	.	H	α-helix	trans	-61.5	-39.2	-179	-69.5	-174	-175.8	177.6	3.2	113	R157 I158	R154-R157 PolarHBondContact O-N 3.06Å; R154-I158 WeakPolarHBondContact O-CG1 3.34Å; R154-I158 PolarHBondContact O-N 3.29Å; R154-I158 VanDerWaalsContact O-N 3.16Å
155	Y	87.5	Confident	92.8	Very high	88 Å²	88	64.9 Å²	64.9	35%	0.345	31%	0.311	S	S	.	.	H	α-helix	trans	-67.3	-49.3	-179.3	-174.7	-104.1	0	0	0	111.3	S127 C153 R157 I158 L159	S127-Y155 WeakPolarHBondContact OG-CD1 3.38Å; C153-Y155 VanDerWaalsContact C-N 3.34Å; C153-Y155 PolarHBondContact O-N 2.91Å; Y155-R157 VanDerWaalsContact C-N 3.26Å; Y155-R157 PolarHBondContact O-N 3.32Å; Y155-I158 PolarHBondContact O-N 3.11Å; Y155-L159 HydrophobicContact CD1-CD1 3.84Å; Y155-L159 HydrophobicContact CD1-CG 4.36Å; Y155-L159 HydrophobicContact CE1-CD1 3.38Å; Y155-L159 HydrophobicContact CE1-CG 4.04Å; Y155-L159 PolarHBondContact O-N 3.06Å
156	W	92.9	Very high	92.9	Very high	44 Å²	44	61.3 Å²	61.3	17%	0.167	29%	0.292	C	S	.	.	H	α-helix	trans	-57.8	-39.1	173.5	-79.9	62.2	0	0	0	112.7	D124 I126 L138 A149 T152 I158 L159 A160	D124-W156 PolarHBondContact OD1-NE1 2.87Å; D124-W156 VanDerWaalsContact OD2-CD1 3.29Å; D124-W156 PolarHBondContact OD2-NE1 3.31Å; I126-W156 HydrophobicContact CB-CH2 4.14Å; I126-W156 HydrophobicContact CB-CZ2 3.45Å; I126-W156 VanDerWaalsContact CB-CZ2 3.45Å; I126-W156 HydrophobicContact CG1-CH2 3.55Å; I126-W156 HydrophobicContact CG1-CZ2 3.36Å; I126-W156 HydrophobicContact CG1-CZ3 4.39Å; I126-W156 HydrophobicContact CG2-CD2 4.28Å; I126-W156 HydrophobicContact CG2-CZ2 4.04Å; L138-W156 HydrophobicContact CD2-CZ3 4.26Å; A149-W156 HydrophobicContact CB-CE3 3.71Å; A149-W156 HydrophobicContact CB-CZ3 3.82Å; A149-W156 WeakPolarHBondContact O-CB 3.19Å; T152-W156 HydrophobicContact CG2-CD2 4.34Å; T152-W156 HydrophobicContact CG2-CG 4.37Å; W156-I158 VanDerWaalsContact C-N 3.29Å; W156-I158 PolarHBondContact O-N 3.37Å; W156-L159 PolarHBondContact O-N 3.2Å; W156-A160 VanDerWaalsContact O-CB 3.25Å; W156-A160 WeakPolarHBondContact O-CB 3.45Å; W156-A160 PolarHBondContact O-N 3.36Å
157	R	91.4	Very high	92.9	Very high	120 Å²	120	66.8 Å²	66.8	45%	0.453	31%	0.313	S	S	.	.	H	α-helix	trans	-60.6	-38.9	175.2	-172.3	175.6	169.7	165.1	0.4	112.6	A150 C153 R154 Y155 E161 F191	A150-R157 VanDerWaalsContact O-CB 3.28Å; A150-R157 WeakPolarHBondContact O-CB 3.42Å; A150-R157 WeakPolarHBondContact O-CG 3.31Å; C153-R157 WeakPolarHBondContact O-CB 3.3Å; C153-R157 PolarHBondContact O-N 2.99Å; R154-R157 PolarHBondContact O-N 3.06Å; Y155-R157 VanDerWaalsContact C-N 3.26Å; Y155-R157 PolarHBondContact O-N 3.32Å; R157-E161 WeakPolarHBondContact O-CB 3.4Å; R157-E161 PolarHBondContact O-N 3.12Å; R157-F191 HydrophobicContact CG-CE2 3.94Å; R157-F191 HydrophobicContact CG-CZ 3.99Å
158	I	90.4	Very high	92.9	Very high	104 Å²	104	68.8 Å²	68.8	53%	0.533	32%	0.321	S	S	.	.	H	α-helix	trans	-70.2	-44.1	178	-67.5	164.4	0	0	0	110.1	R154 Y155 W156 E161	R154-I158 WeakPolarHBondContact O-CG1 3.34Å; R154-I158 PolarHBondContact O-N 3.29Å; R154-I158 VanDerWaalsContact O-N 3.16Å; Y155-I158 PolarHBondContact O-N 3.11Å; W156-I158 VanDerWaalsContact C-N 3.29Å; W156-I158 PolarHBondContact O-N 3.37Å; I158-E161 PolarHBondContact O-N 2.88Å
159	L	92.8	Very high	92.9	Very high	4 Å²	4	64 Å²	64	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-46.6	177.4	-68.4	-179.8	0	0	0	112.2	I126 K131 A134 L135 L138 Y155 W156 E161 D162	I126-L159 HydrophobicContact CG2-CD1 3.63Å; K131-L159 HydrophobicContact CG-CD2 3.85Å; A134-L159 HydrophobicContact CB-CD1 3.9Å; L135-L159 HydrophobicContact CD2-CB 4.45Å; L135-L159 HydrophobicContact CD2-CD2 4.34Å; L135-L159 HydrophobicContact CG-CD2 4.48Å; L138-L159 HydrophobicContact CD1-CB 3.71Å; Y155-L159 HydrophobicContact CD1-CD1 3.84Å; Y155-L159 HydrophobicContact CD1-CG 4.36Å; Y155-L159 HydrophobicContact CE1-CD1 3.38Å; Y155-L159 HydrophobicContact CE1-CG 4.04Å; Y155-L159 PolarHBondContact O-N 3.06Å; W156-L159 PolarHBondContact O-N 3.2Å; L159-E161 PolarHBondContact O-N 2.99Å; L159-E161 VanDerWaalsContact O-N 3.13Å; L159-D162 VanDerWaalsContact O-CB 3.3Å; L159-D162 WeakPolarHBondContact O-CB 3.31Å; L159-D162 PolarHBondContact O-N 3.04Å; L159-D162 VanDerWaalsContact O-N 3.08Å
160	A	95.1	Very high	93	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	4.3	178.3	0	0	0	0	0	113.8	A150 W156 W166 K197	A150-A160 HydrophobicContact CB-CB 3.8Å; W156-A160 VanDerWaalsContact O-CB 3.25Å; W156-A160 WeakPolarHBondContact O-CB 3.45Å; W156-A160 PolarHBondContact O-N 3.36Å; A160-W166 PolarHBondContact O-NE1 3.19Å; A160-K197 PolarHBondContact O-NZ 2.79Å
161	E	94.3	Very high	93	Very high	18 Å²	18	70.5 Å²	70.5	8%	0.084	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	7	169.1	-155.9	75.3	-165.2	0	0	111.4	R157 I158 L159 N163 F191 H193 S194 K197	R157-E161 WeakPolarHBondContact O-CB 3.4Å; R157-E161 PolarHBondContact O-N 3.12Å; I158-E161 PolarHBondContact O-N 2.88Å; L159-E161 PolarHBondContact O-N 2.99Å; L159-E161 VanDerWaalsContact O-N 3.13Å; E161-N163 PolarHBondContact O-N 2.87Å; E161-F191 HydrophobicContact CB-CZ 4.15Å; E161-F191 HydrophobicContact CG-CE1 4.07Å; E161-F191 HydrophobicContact CG-CZ 3.74Å; E161-H193 WeakPolarHBondContact OE1-CA 3.29Å; E161-H193 IonicContact OE1-CG 3.73Å; E161-H193 IonicContact OE1-ND1 2.97Å; E161-H193 PolarHBondContact OE1-ND1 3.33Å; E161-S194 VanDerWaalsContact O-CB 3.28Å; E161-S194 WeakPolarHBondContact O-CB 3.47Å; E161-S194 PolarHBondContact OE1-N 2.89Å; E161-K197 VanDerWaalsContact CD-CD 3.45Å; E161-K197 WeakPolarHBondContact OE1-CD 3.41Å; E161-K197 VanDerWaalsContact OE2-CD 3.24Å; E161-K197 WeakPolarHBondContact OE2-CD 3.13Å; E161-K197 WeakPolarHBondContact OE2-CE 3.3Å; E161-K197 IonicContact OE2-NZ 2.67Å; E161-K197 PolarHBondContact OE2-NZ 3Å
162	D	95.1	Very high	92.9	Very high	39 Å²	39	69.2 Å²	69.2	21%	0.209	31%	0.312	C	S	.	.			trans	-57.8	134.6	-177.4	-178.9	70.8	0	0	0	113.5	L135 L159 L164 L165 W166	L135-D162 HydrophobicContact CD2-CB 3.62Å; L159-D162 VanDerWaalsContact O-CB 3.3Å; L159-D162 WeakPolarHBondContact O-CB 3.31Å; L159-D162 PolarHBondContact O-N 3.04Å; L159-D162 VanDerWaalsContact O-N 3.08Å; D162-L164 PolarHBondContact OD2-N 2.92Å; D162-L165 HydrophobicContact CB-CB 3.99Å; D162-L165 PolarHBondContact OD2-N 2.92Å; D162-W166 PolarHBondContact O-N 3.1Å
163	N	94.2	Very high	92.9	Very high	63 Å²	63	68.3 Å²	68.3	34%	0.337	30%	0.302	S	S	.	.	H	α-helix	trans	-74.3	-35.5	-171.1	-169.5	68.5	0	0	0	113.4	E161 R167 S194 P195	E161-N163 PolarHBondContact O-N 2.87Å; N163-R167 WeakPolarHBondContact O-CB 3.45Å; N163-R167 PolarHBondContact O-N 3.46Å; N163-S194 PolarHBondContact OD1-OG 3.29Å; N163-P195 WeakPolarHBondContact OD1-CD 3.38Å
164	L	94.9	Very high	93	Very high	115 Å²	115	68.2 Å²	68.2	60%	0.602	31%	0.31	S	S	*	.	H	α-helix	trans	-77.8	-39.5	-177.6	-65.2	178.8	0	0	0	110.8	D162 W166 R167 E168	D162-L164 PolarHBondContact OD2-N 2.92Å; L164-W166 VanDerWaalsContact C-N 3.32Å; L164-W166 PolarHBondContact O-N 2.98Å; L164-R167 WeakPolarHBondContact O-CB 3.47Å; L164-R167 PolarHBondContact O-N 3.42Å; L164-R167 VanDerWaalsContact O-N 3.14Å; L164-E168 PolarHBondContact O-N 3.48Å
165	L	95.8	Very high	93.3	Very high	10 Å²	10	58.7 Å²	58.7	5%	0.052	28%	0.275	C	S	.	.	H	α-helix	trans	-52.2	-51.7	170.5	176.4	61.9	0	0	0	111	L138 L146 D162 R167 E168 K169	L138-L165 HydrophobicContact CB-CD2 4.27Å; L146-L165 HydrophobicContact CD1-CD1 4.26Å; L146-L165 HydrophobicContact CD1-CD2 4.03Å; L146-L165 HydrophobicContact CD1-CG 4.15Å; L146-L165 HydrophobicContact CD2-CD2 3.9Å; D162-L165 HydrophobicContact CB-CB 3.99Å; D162-L165 PolarHBondContact OD2-N 2.92Å; L165-R167 VanDerWaalsContact C-N 3.34Å; L165-R167 PolarHBondContact O-N 2.88Å; L165-E168 PolarHBondContact O-N 3.14Å; L165-K169 WeakPolarHBondContact O-CG 3.45Å; L165-K169 PolarHBondContact O-N 3.01Å; L165-K169 VanDerWaalsContact O-N 3.1Å
166	W	96.8	Very high	93.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-71.8	-26.2	179.8	-76.9	104.2	0	0	0	113.7	P143 L146 L147 A160 D162 L164 E168 K169 C170 W196 K197 Y200	P143-W166 HydrophobicContact CB-CH2 4.08Å; P143-W166 HydrophobicContact CB-CZ3 3.96Å; L146-W166 HydrophobicContact CB-CH2 4.22Å; L146-W166 HydrophobicContact CB-CZ2 3.9Å; L146-W166 HydrophobicContact CD1-CH2 4.46Å; L146-W166 HydrophobicContact CD1-CZ2 4.26Å; L147-W166 HydrophobicContact CD2-CH2 4.11Å; L147-W166 HydrophobicContact CD2-CZ2 4.17Å; L147-W166 HydrophobicContact CG-CH2 4.14Å; A160-W166 PolarHBondContact O-NE1 3.19Å; D162-W166 PolarHBondContact O-N 3.1Å; L164-W166 VanDerWaalsContact C-N 3.32Å; L164-W166 PolarHBondContact O-N 2.98Å; W166-E168 VanDerWaalsContact C-N 3.33Å; W166-K169 HydrophobicContact CE3-CB 4.22Å; W166-C170 VanDerWaalsContact O-CB 3.29Å; W166-C170 WeakPolarHBondContact O-CB 3.34Å; W166-C170 PolarHBondContact O-N 3.32Å; W166-C170 PolarHBondContact O-SG 3.36Å; W166-W196 HydrophobicContact CB-CB 3.72Å; W166-K197 HydrophobicContact CB-CB 4.16Å; W166-K197 HydrophobicContact CD2-CB 3.72Å; W166-K197 HydrophobicContact CD2-CD 4.37Å; W166-K197 HydrophobicContact CD2-CG 3.72Å; W166-K197 VanDerWaalsContact CE2-CG 3.49Å; W166-K197 HydrophobicContact CE3-CB 4.38Å; W166-K197 HydrophobicContact CE3-CG 4.27Å; W166-K197 HydrophobicContact CG-CB 3.56Å; W166-K197 HydrophobicContact CG-CG 4.06Å; W166-K197 HydrophobicContact CH2-CG 4.41Å; W166-K197 HydrophobicContact CZ2-CD 4.05Å; W166-K197 HydrophobicContact CZ2-CG 3.88Å; W166-Y200 HydrophobicContact CE3-CD1 4.33Å; W166-Y200 HydrophobicContact CE3-CD2 4.41Å; W166-Y200 AromaticContact CE3-CG 3.96Å; W166-Y200 HydrophobicContact CE3-CG 3.96Å; W166-Y200 HydrophobicContact CH2-CD1 4.34Å; W166-Y200 AromaticContact CZ3-CD1 3.54Å; W166-Y200 HydrophobicContact CZ3-CD1 3.54Å; W166-Y200 HydrophobicContact CZ3-CD2 4.14Å; W166-Y200 HydrophobicContact CZ3-CE1 4.11Å; W166-Y200 AromaticContact CZ3-CG 3.6Å; W166-Y200 HydrophobicContact CZ3-CG 3.6Å
167	R	96.1	Very high	93.3	Very high	115 Å²	115	65.6 Å²	65.6	43%	0.434	32%	0.317	S	S	.	.	H	α-helix	trans	-64.3	-40.9	172.3	-178.6	178.4	-179.2	-163.9	0.2	111.1	N163 L164 L165 C170 R171 W196	N163-R167 WeakPolarHBondContact O-CB 3.45Å; N163-R167 PolarHBondContact O-N 3.46Å; L164-R167 WeakPolarHBondContact O-CB 3.47Å; L164-R167 PolarHBondContact O-N 3.42Å; L164-R167 VanDerWaalsContact O-N 3.14Å; L165-R167 VanDerWaalsContact C-N 3.34Å; L165-R167 PolarHBondContact O-N 2.88Å; R167-C170 PolarHBondContact O-N 3.11Å; R167-R171 PolarHBondContact O-N 3.41Å; R167-W196 HydrophobicContact CB-CD2 3.9Å; R167-W196 HydrophobicContact CB-CG 3.86Å; R167-W196 HydrophobicContact CG-CD2 4.01Å; R167-W196 HydrophobicContact CG-CE3 4.49Å; R167-W196 HydrophobicContact CG-CG 4.47Å; R167-W196 HydrophobicContact CG-CH2 4.24Å; R167-W196 HydrophobicContact CG-CZ2 3.77Å
168	E	95.4	Very high	93.3	Very high	96 Å²	96	62.1 Å²	62.1	45%	0.449	31%	0.31	S	S	.	.	H	α-helix	trans	-66.3	-48.1	176.1	-172.5	166.2	-146.1	0	0	111.2	L164 L165 W166 C170 R171 E172	L164-E168 PolarHBondContact O-N 3.48Å; L165-E168 PolarHBondContact O-N 3.14Å; W166-E168 VanDerWaalsContact C-N 3.33Å; E168-C170 VanDerWaalsContact C-N 3.26Å; E168-C170 PolarHBondContact O-N 2.89Å; E168-R171 WeakPolarHBondContact O-CA 3.26Å; E168-R171 WeakPolarHBondContact O-CB 3.28Å; E168-R171 PolarHBondContact O-N 2.96Å; E168-E172 PolarHBondContact O-N 3.48Å
169	K	95.4	Very high	93.1	Very high	9 Å²	9	59.2 Å²	59.2	4%	0.039	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-33.3	174.4	-62.8	-48.7	-174	-175.1	0	113.8	S139 L141 P143 L146 L165 W166 E172 E173	S139-K169 PolarHBondContact O-NZ 3.07Å; L141-K169 WeakPolarHBondContact O-CE 3.45Å; L141-K169 PolarHBondContact O-NZ 3.23Å; P143-K169 HydrophobicContact CG-CB 4.22Å; P143-K169 HydrophobicContact CG-CD 4.23Å; P143-K169 HydrophobicContact CG-CG 4.22Å; L146-K169 HydrophobicContact CD1-CG 4.19Å; L165-K169 WeakPolarHBondContact O-CG 3.45Å; L165-K169 PolarHBondContact O-N 3.01Å; L165-K169 VanDerWaalsContact O-N 3.1Å; W166-K169 HydrophobicContact CE3-CB 4.22Å; K169-E172 WeakPolarHBondContact CD-OE2 3.47Å; K169-E172 IonicContact NZ-OE1 3.95Å; K169-E172 PolarHBondContact NZ-OE1 3.12Å; K169-E172 IonicContact NZ-OE2 3.1Å; K169-E172 PolarHBondContact NZ-OE2 3.19Å; K169-E173 PolarHBondContact O-N 2.94Å
170	C	95.3	Very high	92.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-67.8	-41	172.4	-76.2	0	0	0	0	111.9	W166 R167 E168 E173 G174 I175 W196	W166-C170 VanDerWaalsContact O-CB 3.29Å; W166-C170 WeakPolarHBondContact O-CB 3.34Å; W166-C170 PolarHBondContact O-N 3.32Å; W166-C170 PolarHBondContact O-SG 3.36Å; R167-C170 PolarHBondContact O-N 3.11Å; E168-C170 VanDerWaalsContact C-N 3.26Å; E168-C170 PolarHBondContact O-N 2.89Å; C170-E173 CarbonylContact O-C 3.33Å; C170-E173 WeakPolarHBondContact O-CA 3.44Å; C170-E173 PolarHBondContact O-N 3.02Å; C170-E173 VanDerWaalsContact O-N 3.1Å; C170-G174 PolarHBondContact O-N 3.38Å; C170-I175 HydrophobicContact CB-CB 3.88Å; C170-I175 HydrophobicContact CB-CG2 4.26Å; C170-I175 WeakPolarHBondContact O-CB 3.47Å; C170-I175 PolarHBondContact O-N 3.45Å; C170-W196 HydrophobicContact CB-CE3 3.57Å; C170-W196 HydrophobicContact CB-CZ3 3.99Å; C170-W196 PolarHBondContact SG-O 2.89Å
171	R	93.8	Very high	91	Very high	157 Å²	157	69.1 Å²	69.1	59%	0.592	36%	0.36	S	S	*	.	H	α-helix	trans	-64.1	-41	178	-169.7	-172.2	-57.6	170.1	5.5	112.1	R167 E168 E173 G174	R167-R171 PolarHBondContact O-N 3.41Å; E168-R171 WeakPolarHBondContact O-CA 3.26Å; E168-R171 WeakPolarHBondContact O-CB 3.28Å; E168-R171 PolarHBondContact O-N 2.96Å; R171-E173 PolarHBondContact O-N 3.31Å; R171-G174 PolarHBondContact O-N 3.03Å
172	E	91.4	Very high	89.6	Confident	107 Å²	107	76.3 Å²	76.3	50%	0.5	39%	0.386	S	S	.	.	H	α-helix	trans	-55.7	-35.9	172.5	-69.3	169.5	-175.9	0	0	111.4	E168 K169	E168-E172 PolarHBondContact O-N 3.48Å; K169-E172 WeakPolarHBondContact CD-OE2 3.47Å; K169-E172 IonicContact NZ-OE1 3.95Å; K169-E172 PolarHBondContact NZ-OE1 3.12Å; K169-E172 IonicContact NZ-OE2 3.1Å; K169-E172 PolarHBondContact NZ-OE2 3.19Å
173	E	89.3	Confident	87.5	Confident	69 Å²	69	84.8 Å²	84.8	32%	0.322	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	7.3	176	-69.6	-64.4	151.1	0	0	114.2	K169 C170 R171 I175 Y200 K479	K169-E173 PolarHBondContact O-N 2.94Å; C170-E173 CarbonylContact O-C 3.33Å; C170-E173 WeakPolarHBondContact O-CA 3.44Å; C170-E173 PolarHBondContact O-N 3.02Å; C170-E173 VanDerWaalsContact O-N 3.1Å; R171-E173 PolarHBondContact O-N 3.31Å; E173-I175 HydrophobicContact CB-CD1 4.19Å; E173-I175 HydrophobicContact CB-CG1 4.21Å; E173-I175 PolarHBondContact O-N 3.14Å; E173-Y200 HydrophobicContact CG-CD2 4.41Å; E173-Y200 HydrophobicContact CG-CE2 3.71Å; E173-K479 VanDerWaalsContact CA-NZ 3.26Å; E173-K479 PolarHBondContact O-NZ 3.43Å; E173-K479 IonicContact OE2-NZ 3.96Å; E173-K479 PolarHBondContact OE2-NZ 3.3Å
174	G	89.6	Confident	85.7	Confident	50 Å²	50	88.3 Å²	88.3	52%	0.515	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	32.3	-178.5	0	0	0	0	0	113.6	C170 R171	C170-G174 PolarHBondContact O-N 3.38Å; R171-G174 PolarHBondContact O-N 3.03Å
175	I	92.6	Very high	83.4	Confident	25 Å²	25	92.5 Å²	92.5	13%	0.128	44%	0.443	C	S	.	.			trans	-94	104.2	170.4	-57.4	171.5	0	0	0	106.8	C170 E173 W196 A199 Y200 Q203	C170-I175 HydrophobicContact CB-CB 3.88Å; C170-I175 HydrophobicContact CB-CG2 4.26Å; C170-I175 WeakPolarHBondContact O-CB 3.47Å; C170-I175 PolarHBondContact O-N 3.45Å; E173-I175 HydrophobicContact CB-CD1 4.19Å; E173-I175 HydrophobicContact CB-CG1 4.21Å; E173-I175 PolarHBondContact O-N 3.14Å; I175-W196 WeakPolarHBondContact O-CZ3 3.28Å; I175-A199 HydrophobicContact CG2-CB 4.1Å; I175-Y200 HydrophobicContact CD1-CD2 4.45Å; I175-Q203 HydrophobicContact CD1-CB 3.63Å; I175-Q203 HydrophobicContact CD1-CG 3.98Å; I175-Q203 HydrophobicContact CG1-CB 4.38Å; I175-Q203 HydrophobicContact CG1-CG 4.33Å
176	D	90.5	Very high	81.1	Confident	128 Å²	128	98.8 Å²	98.8	68%	0.684	48%	0.481	S	S	*	.			trans	-89.3	-18.9	-172	-59.4	-43.4	0	0	0	114	W196	D176-W196 VanDerWaalsContact O-CH2 3.31Å; D176-W196 WeakPolarHBondContact O-CH2 3.07Å
177	E	89.8	Confident	79	Confident	148 Å²	148	101.5 Å²	101.5	69%	0.692	50%	0.504	S	S	*	.	S	Bend	trans	-120.7	130.7	-173.6	-70.3	-64.7	159.6	0	0	112
178	P	91.1	Very high	77	Confident	48 Å²	48	104.9 Å²	104.9	31%	0.312	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-70.7	152.4	173.9	29.6	-31.8	0	0	0	110.8	P180 P195 W196	P178-P180 WeakPolarHBondContact O-CD 3.31Å; P178-P195 HydrophobicContact CB-CB 3.78Å; P178-W196 HydrophobicContact CB-CD2 3.88Å; P178-W196 HydrophobicContact CB-CE3 4.24Å; P178-W196 HydrophobicContact CB-CG 4.3Å; P178-W196 HydrophobicContact CB-CH2 4.45Å; P178-W196 HydrophobicContact CB-CZ2 4.08Å; P178-W196 HydrophobicContact CG-CH2 4.42Å; P178-W196 HydrophobicContact CG-CZ2 4.01Å
179	L	85.8	Confident	74.8	Confident	43 Å²	43	106.9 Å²	106.9	23%	0.225	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-76.1	123.8	174.2	-164.3	88.4	0	0	0	109.1	P195 A199 M551	L179-P195 PolarHBondContact N-O 2.71Å; L179-P195 WeakPolarHBondContact O-CB 3.47Å; L179-A199 HydrophobicContact CB-CB 4.1Å; L179-M551 HydrophobicContact CD2-CE 3.45Å; L179-M551 VanDerWaalsContact CD2-CE 3.45Å
180	P	77.4	Confident	73.2	Confident	99 Å²	99	110.4 Å²	110.4	64%	0.643	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-60	138.9	-179.7	20.3	-30	0	0	0	110.6	P178 R182	P178-P180 WeakPolarHBondContact O-CD 3.31Å; P180-R182 PolarHBondContact O-N 3.41Å; P180-R182 VanDerWaalsContact O-N 3.11Å
181	P	66.9	Low	72	Confident	113 Å²	113	113.1 Å²	113.1	73%	0.734	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-60.7	119	-179.5	22.9	-31.4	0	0	0	109.6	K183	P181-K183 PolarHBondContact O-N 3.09Å
182	R	63.8	Low	71.3	Confident	169 Å²	169	111.7 Å²	111.7	64%	0.638	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-63.8	134.9	170.8	-79.4	-174.1	169.2	-163.6	-7.7	108.5	P180 R184 M551	P180-R182 PolarHBondContact O-N 3.41Å; P180-R182 VanDerWaalsContact O-N 3.11Å; R182-R184 PolarHBondContact O-N 3.32Å; R182-M551 PolarHBondContact NH1-O 3.1Å
183	K	52.8	Low	71	Confident	216 Å²	216	110.7 Å²	110.7	94%	0.939	60%	0.598	S	S	*	*			trans	-62.6	79.7	163.7	-70.5	-176.5	179	-179.3	0	108.7	P181	P181-K183 PolarHBondContact O-N 3.09Å
184	R	55	Low	71	Confident	137 Å²	137	107.6 Å²	107.6	52%	0.517	58%	0.584	S	S	.	*			trans	-70.8	130	173.7	-93.7	-174.9	166.6	167	-2.3	108.7	R182 V186 K552	R182-R184 PolarHBondContact O-N 3.32Å; R184-V186 PolarHBondContact O-N 3.41Å; R184-V186 VanDerWaalsContact O-N 3.13Å; R184-K552 PolarHBondContact NH2-O 2.79Å; R184-K552 PolarHBondContact NH2-OXT 2.83Å
185	K	47.5	Very low	71.2	Confident	204 Å²	204	107 Å²	107	89%	0.887	57%	0.571	S	S	*	*	S	Bend	trans	-59.2	110.7	159.8	-77.1	-179.9	173.9	-179.7	0	107.4
186	V	46.2	Very low	71.3	Confident	142 Å²	142	107.2 Å²	107.2	86%	0.861	57%	0.57	S	S	*	*			trans	46.4	73	164.6	-162.2	0	0	0	0	114.2	R184	R184-V186 PolarHBondContact O-N 3.41Å; R184-V186 VanDerWaalsContact O-N 3.13Å
187	A	52.7	Low	71.5	Confident	56 Å²	56	101.7 Å²	101.7	46%	0.463	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-64.9	149.6	158.4	0	0	0	0	0	109.1
188	K	54.7	Low	71.6	Confident	186 Å²	186	96.1 Å²	96.1	81%	0.809	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-47.4	138.4	172.9	-74.9	-174.6	176.3	-177.1	0	109.7	G190	K188-G190 PolarHBondContact O-N 3.38Å
189	P	49.9	Very low	71.7	Confident	138 Å²	138	94.2 Å²	94.2	90%	0.896	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	125	-178.2	-13.7	20.1	0	0	0	110.4
190	G	62.3	Low	72.1	Confident	84 Å²	84	93.5 Å²	93.5	87%	0.866	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.7	7.1	164.8	0	0	0	0	0	119.1	K188	K188-G190 PolarHBondContact O-N 3.38Å
191	F	70.1	Confident	72.9	Confident	56 Å²	56	90.8 Å²	90.8	25%	0.246	48%	0.48	C	S	.	.			trans	-111.7	106.3	172.6	-162.7	-98.2	0	0	0	112	R157 E161 H193	R157-F191 HydrophobicContact CG-CE2 3.94Å; R157-F191 HydrophobicContact CG-CZ 3.99Å; E161-F191 HydrophobicContact CB-CZ 4.15Å; E161-F191 HydrophobicContact CG-CE1 4.07Å; E161-F191 HydrophobicContact CG-CZ 3.74Å; F191-H193 AromaticContact CD1-CE1 3.74Å; F191-H193 AromaticContact CD1-NE2 3.74Å; F191-H193 AromaticContact CE1-CE1 3.42Å; F191-H193 VanDerWaalsContact CE1-CE1 3.42Å; F191-H193 WeakPolarHBondContact CE1-CE1 3.43Å; F191-H193 AromaticContact CE1-ND1 3.53Å; F191-H193 AromaticContact CE1-NE2 3.92Å
192	T	77.2	Confident	74.2	Confident	127 Å²	127	88 Å²	88	78%	0.779	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-90.6	116.3	174.1	49.7	0	0	0	0	109.9
193	H	85.4	Confident	75.6	Confident	87 Å²	87	81.6 Å²	81.6	40%	0.403	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-75.4	140.2	174	-78.2	-73.8	0	0	0	111.3	E161 F191 P195	E161-H193 WeakPolarHBondContact OE1-CA 3.29Å; E161-H193 IonicContact OE1-CG 3.73Å; E161-H193 IonicContact OE1-ND1 2.97Å; E161-H193 PolarHBondContact OE1-ND1 3.33Å; F191-H193 AromaticContact CD1-CE1 3.74Å; F191-H193 AromaticContact CD1-NE2 3.74Å; F191-H193 AromaticContact CE1-CE1 3.42Å; F191-H193 VanDerWaalsContact CE1-CE1 3.42Å; F191-H193 WeakPolarHBondContact CE1-CE1 3.43Å; F191-H193 AromaticContact CE1-ND1 3.53Å; F191-H193 AromaticContact CE1-NE2 3.92Å; H193-P195 WeakPolarHBondContact O-CD 3.49Å
194	S	90.6	Very high	77.6	Confident	4 Å²	4	75.9 Å²	75.9	3%	0.028	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-71.2	124.6	170.9	161.4	0	0	0	0	110.4	E161 N163 W196 K197 S198	E161-S194 VanDerWaalsContact O-CB 3.28Å; E161-S194 WeakPolarHBondContact O-CB 3.47Å; E161-S194 PolarHBondContact OE1-N 2.89Å; N163-S194 PolarHBondContact OD1-OG 3.29Å; S194-W196 VanDerWaalsContact C-N 3.26Å; S194-W196 PolarHBondContact O-N 3.34Å; S194-W196 PolarHBondContact OG-N 2.78Å; S194-K197 PolarHBondContact O-N 3.04Å; S194-K197 PolarHBondContact OG-N 2.65Å; S194-S198 PolarHBondContact O-N 3.46Å; S194-S198 PolarHBondContact O-OG 2.74Å
195	P	92.6	Very high	79.5	Confident	37 Å²	37	74.9 Å²	74.9	24%	0.24	41%	0.405	C	S	.	.	H	α-helix	trans	-54.4	-40.1	170.2	-30.9	38.9	0	0	0	113.2	N163 P178 L179 H193 S198 A199	N163-P195 WeakPolarHBondContact OD1-CD 3.38Å; P178-P195 HydrophobicContact CB-CB 3.78Å; L179-P195 PolarHBondContact N-O 2.71Å; L179-P195 WeakPolarHBondContact O-CB 3.47Å; H193-P195 WeakPolarHBondContact O-CD 3.49Å; P195-S198 PolarHBondContact O-N 3.46Å; P195-A199 PolarHBondContact O-N 3.15Å
196	W	95.1	Very high	81.8	Confident	30 Å²	30	65.1 Å²	65.1	11%	0.114	36%	0.362	C	S	.	.	H	α-helix	trans	-69.2	-43.1	178.8	-69	107	0	0	0	112	W166 R167 C170 I175 D176 P178 S194 S198 A199 Y200	W166-W196 HydrophobicContact CB-CB 3.72Å; R167-W196 HydrophobicContact CB-CD2 3.9Å; R167-W196 HydrophobicContact CB-CG 3.86Å; R167-W196 HydrophobicContact CG-CD2 4.01Å; R167-W196 HydrophobicContact CG-CE3 4.49Å; R167-W196 HydrophobicContact CG-CG 4.47Å; R167-W196 HydrophobicContact CG-CH2 4.24Å; R167-W196 HydrophobicContact CG-CZ2 3.77Å; C170-W196 HydrophobicContact CB-CE3 3.57Å; C170-W196 HydrophobicContact CB-CZ3 3.99Å; C170-W196 PolarHBondContact SG-O 2.89Å; I175-W196 WeakPolarHBondContact O-CZ3 3.28Å; D176-W196 VanDerWaalsContact O-CH2 3.31Å; D176-W196 WeakPolarHBondContact O-CH2 3.07Å; P178-W196 HydrophobicContact CB-CD2 3.88Å; P178-W196 HydrophobicContact CB-CE3 4.24Å; P178-W196 HydrophobicContact CB-CG 4.3Å; P178-W196 HydrophobicContact CB-CH2 4.45Å; P178-W196 HydrophobicContact CB-CZ2 4.08Å; P178-W196 HydrophobicContact CG-CH2 4.42Å; P178-W196 HydrophobicContact CG-CZ2 4.01Å; S194-W196 VanDerWaalsContact C-N 3.26Å; S194-W196 PolarHBondContact O-N 3.34Å; S194-W196 PolarHBondContact OG-N 2.78Å; W196-S198 PolarHBondContact O-N 3.24Å; W196-A199 WeakPolarHBondContact O-CB 3.37Å; W196-A199 PolarHBondContact O-N 3.07Å; W196-A199 VanDerWaalsContact O-N 3.14Å; W196-Y200 PolarHBondContact O-N 2.86Å
197	K	94.3	Very high	84.1	Confident	12 Å²	12	59 Å²	59	5%	0.052	33%	0.325	C	S	.	.	H	α-helix	trans	-58.2	-41.9	173.9	-173.1	176.1	-168.5	164.6	0	111.3	A160 E161 W166 S194 Y200 I201	A160-K197 PolarHBondContact O-NZ 2.79Å; E161-K197 VanDerWaalsContact CD-CD 3.45Å; E161-K197 WeakPolarHBondContact OE1-CD 3.41Å; E161-K197 VanDerWaalsContact OE2-CD 3.24Å; E161-K197 WeakPolarHBondContact OE2-CD 3.13Å; E161-K197 WeakPolarHBondContact OE2-CE 3.3Å; E161-K197 IonicContact OE2-NZ 2.67Å; E161-K197 PolarHBondContact OE2-NZ 3Å; W166-K197 HydrophobicContact CB-CB 4.16Å; W166-K197 HydrophobicContact CD2-CB 3.72Å; W166-K197 HydrophobicContact CD2-CD 4.37Å; W166-K197 HydrophobicContact CD2-CG 3.72Å; W166-K197 VanDerWaalsContact CE2-CG 3.49Å; W166-K197 HydrophobicContact CE3-CB 4.38Å; W166-K197 HydrophobicContact CE3-CG 4.27Å; W166-K197 HydrophobicContact CG-CB 3.56Å; W166-K197 HydrophobicContact CG-CG 4.06Å; W166-K197 HydrophobicContact CH2-CG 4.41Å; W166-K197 HydrophobicContact CZ2-CD 4.05Å; W166-K197 HydrophobicContact CZ2-CG 3.88Å; S194-K197 PolarHBondContact O-N 3.04Å; S194-K197 PolarHBondContact OG-N 2.65Å; K197-Y200 PolarHBondContact O-N 3.35Å; K197-I201 HydrophobicContact CD-CD1 4.49Å; K197-I201 HydrophobicContact CG-CD1 3.85Å; K197-I201 HydrophobicContact CG-CG1 4.46Å; K197-I201 WeakPolarHBondContact O-CB 3.48Å; K197-I201 VanDerWaalsContact O-CG1 3.26Å; K197-I201 WeakPolarHBondContact O-CG1 3.14Å; K197-I201 PolarHBondContact O-N 2.72Å
198	S	92.1	Very high	86.2	Confident	30 Å²	30	58 Å²	58	21%	0.21	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-38.5	178.5	-57.4	0	0	0	0	111.9	S194 P195 W196 R202	S194-S198 PolarHBondContact O-N 3.46Å; S194-S198 PolarHBondContact O-OG 2.74Å; P195-S198 PolarHBondContact O-N 3.46Å; W196-S198 PolarHBondContact O-N 3.24Å; S198-R202 WeakPolarHBondContact O-CB 3.44Å; S198-R202 PolarHBondContact O-N 3.43Å
199	A	93.4	Very high	88.2	Confident	9 Å²	9	50.4 Å²	50.4	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-63.3	-48.7	173.6	0	0	0	0	0	111.6	I175 L179 P195 W196 I201 R202 Q203	I175-A199 HydrophobicContact CG2-CB 4.1Å; L179-A199 HydrophobicContact CB-CB 4.1Å; P195-A199 PolarHBondContact O-N 3.15Å; W196-A199 WeakPolarHBondContact O-CB 3.37Å; W196-A199 PolarHBondContact O-N 3.07Å; W196-A199 VanDerWaalsContact O-N 3.14Å; A199-I201 PolarHBondContact O-N 2.95Å; A199-R202 WeakPolarHBondContact O-CB 3.23Å; A199-R202 PolarHBondContact O-N 2.75Å; A199-Q203 PolarHBondContact O-N 2.95Å
200	Y	94.8	Very high	90.5	Very high	28 Å²	28	44.4 Å²	44.4	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-56.1	-52.7	176.1	-174.7	-83	0	0	0	111.5	P143 W166 E173 I175 W196 K197 R202 Q203 H204	P143-Y200 HydrophobicContact CB-CD1 4.35Å; P143-Y200 HydrophobicContact CB-CE1 3.5Å; P143-Y200 HydrophobicContact CB-CE2 3.9Å; P143-Y200 WeakPolarHBondContact CB-OH 3.43Å; P143-Y200 HydrophobicContact CG-CE1 4.22Å; P143-Y200 HydrophobicContact CG-CE2 3.67Å; P143-Y200 VanDerWaalsContact CG-CZ 3.48Å; P143-Y200 VanDerWaalsContact CG-OH 3.31Å; P143-Y200 WeakPolarHBondContact CG-OH 3.35Å; W166-Y200 HydrophobicContact CE3-CD1 4.33Å; W166-Y200 HydrophobicContact CE3-CD2 4.41Å; W166-Y200 AromaticContact CE3-CG 3.96Å; W166-Y200 HydrophobicContact CE3-CG 3.96Å; W166-Y200 HydrophobicContact CH2-CD1 4.34Å; W166-Y200 AromaticContact CZ3-CD1 3.54Å; W166-Y200 HydrophobicContact CZ3-CD1 3.54Å; W166-Y200 HydrophobicContact CZ3-CD2 4.14Å; W166-Y200 HydrophobicContact CZ3-CE1 4.11Å; W166-Y200 AromaticContact CZ3-CG 3.6Å; W166-Y200 HydrophobicContact CZ3-CG 3.6Å; E173-Y200 HydrophobicContact CG-CD2 4.41Å; E173-Y200 HydrophobicContact CG-CE2 3.71Å; I175-Y200 HydrophobicContact CD1-CD2 4.45Å; W196-Y200 PolarHBondContact O-N 2.86Å; K197-Y200 PolarHBondContact O-N 3.35Å; Y200-R202 VanDerWaalsContact C-N 3.27Å; Y200-R202 PolarHBondContact O-N 2.89Å; Y200-Q203 PolarHBondContact O-N 3.23Å; Y200-H204 HydrophobicContact CE1-CB 4.34Å; Y200-H204 WeakPolarHBondContact O-CB 3.42Å; Y200-H204 PolarHBondContact O-N 2.9Å
201	I	93.6	Very high	92.1	Very high	41 Å²	41	44.1 Å²	44.1	21%	0.21	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-39.2	179.9	-68.9	169.9	0	0	0	110.6	L147 K197 A199 R205	L147-I201 HydrophobicContact CD2-CD1 4.07Å; L147-I201 HydrophobicContact CD2-CG1 4.4Å; K197-I201 HydrophobicContact CD-CD1 4.49Å; K197-I201 HydrophobicContact CG-CD1 3.85Å; K197-I201 HydrophobicContact CG-CG1 4.46Å; K197-I201 WeakPolarHBondContact O-CB 3.48Å; K197-I201 VanDerWaalsContact O-CG1 3.26Å; K197-I201 WeakPolarHBondContact O-CG1 3.14Å; K197-I201 PolarHBondContact O-N 2.72Å; A199-I201 PolarHBondContact O-N 2.95Å; I201-R205 HydrophobicContact CG2-CG 4.38Å; I201-R205 WeakPolarHBondContact O-CB 3.5Å; I201-R205 VanDerWaalsContact O-CG 3.23Å; I201-R205 WeakPolarHBondContact O-CG 3.46Å; I201-R205 PolarHBondContact O-N 3.32Å
202	R	93.7	Very high	93.4	Very high	56 Å²	56	50.3 Å²	50.3	21%	0.211	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-50.1	176.4	-176.2	178.8	173.8	-85.9	-1	111.1	S198 A199 Y200 H204 R205 I206 D548 M551	S198-R202 WeakPolarHBondContact O-CB 3.44Å; S198-R202 PolarHBondContact O-N 3.43Å; A199-R202 WeakPolarHBondContact O-CB 3.23Å; A199-R202 PolarHBondContact O-N 2.75Å; Y200-R202 VanDerWaalsContact C-N 3.27Å; Y200-R202 PolarHBondContact O-N 2.89Å; R202-H204 PolarHBondContact O-N 3.3Å; R202-R205 PolarHBondContact O-N 3.21Å; R202-I206 HydrophobicContact CG-CD1 3.96Å; R202-I206 VanDerWaalsContact NH1-CD1 3.31Å; R202-I206 WeakPolarHBondContact O-CG1 3.11Å; R202-I206 PolarHBondContact O-N 3.03Å; R202-D548 IonicContact CZ-OD1 3.58Å; R202-D548 IonicContact NE-OD1 3.61Å; R202-D548 VanDerWaalsContact NH2-CG 3.3Å; R202-D548 IonicContact NH2-OD1 2.62Å; R202-D548 PolarHBondContact NH2-OD1 3.27Å; R202-D548 IonicContact NH2-OD2 3.54Å; R202-D548 PolarHBondContact NH2-OD2 2.77Å; R202-M551 HydrophobicContact CB-CE 3.89Å; R202-M551 HydrophobicContact CB-SD 3.95Å; R202-M551 HydrophobicContact CG-CE 4.46Å; R202-M551 HydrophobicContact CG-CG 4.33Å; R202-M551 HydrophobicContact CG-SD 4.21Å
203	Q	94	Very high	94.2	Very high	34 Å²	34	44.8 Å²	44.8	16%	0.159	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-46.4	179.3	-173.5	58.5	41.1	0	0	111.3	I175 A199 Y200 R205 I206 D207 N524	I175-Q203 HydrophobicContact CD1-CB 3.63Å; I175-Q203 HydrophobicContact CD1-CG 3.98Å; I175-Q203 HydrophobicContact CG1-CB 4.38Å; I175-Q203 HydrophobicContact CG1-CG 4.33Å; A199-Q203 PolarHBondContact O-N 2.95Å; Y200-Q203 PolarHBondContact O-N 3.23Å; Q203-R205 VanDerWaalsContact C-N 3.28Å; Q203-R205 PolarHBondContact O-N 3.49Å; Q203-I206 WeakPolarHBondContact O-CB 3.36Å; Q203-I206 PolarHBondContact O-N 3.1Å; Q203-I206 VanDerWaalsContact O-N 3.07Å; Q203-D207 PolarHBondContact NE2-OD1 3.08Å; Q203-D207 PolarHBondContact O-N 2.97Å; Q203-N524 PolarHBondContact NE2-OD1 3.43Å; Q203-N524 PolarHBondContact OE1-ND2 2.97Å; Q203-N524 PolarHBondContact OE1-OD1 2.81Å
204	H	94	Very high	94.7	Very high	95 Å²	95	47.9 Å²	47.9	44%	0.44	22%	0.223	S	C	.	.	H	α-helix	trans	-58.8	-39.3	177.2	-177.3	77.1	0	0	0	112.6	Y200 R202 T208	Y200-H204 HydrophobicContact CE1-CB 4.34Å; Y200-H204 WeakPolarHBondContact O-CB 3.42Å; Y200-H204 PolarHBondContact O-N 2.9Å; R202-H204 PolarHBondContact O-N 3.3Å; H204-T208 WeakPolarHBondContact O-CB 3.36Å; H204-T208 PolarHBondContact O-N 2.81Å; H204-T208 PolarHBondContact O-OG1 3.33Å
205	R	95.1	Very high	94.8	Very high	116 Å²	116	51 Å²	51	44%	0.438	24%	0.239	S	C	.	.	H	α-helix	trans	-68.8	-38.3	175.4	-72.1	175.9	-178.6	-176.6	-1.6	112	I201 R202 Q203 T208 N209 V549	I201-R205 HydrophobicContact CG2-CG 4.38Å; I201-R205 WeakPolarHBondContact O-CB 3.5Å; I201-R205 VanDerWaalsContact O-CG 3.23Å; I201-R205 WeakPolarHBondContact O-CG 3.46Å; I201-R205 PolarHBondContact O-N 3.32Å; R202-R205 PolarHBondContact O-N 3.21Å; Q203-R205 VanDerWaalsContact C-N 3.28Å; Q203-R205 PolarHBondContact O-N 3.49Å; R205-T208 WeakPolarHBondContact O-CB 3.31Å; R205-T208 PolarHBondContact O-N 2.84Å; R205-N209 WeakPolarHBondContact O-CB 3.2Å; R205-N209 PolarHBondContact O-N 3Å; R205-V549 HydrophobicContact CB-CB 4.37Å; R205-V549 HydrophobicContact CB-CG1 4.07Å; R205-V549 HydrophobicContact CB-CG2 3.79Å
206	I	95.6	Very high	94.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-51	174.3	-71	163.5	0	0	0	109.9	R202 Q203 T208 N209 W210 N524 T525 V549	R202-I206 HydrophobicContact CG-CD1 3.96Å; R202-I206 VanDerWaalsContact NH1-CD1 3.31Å; R202-I206 WeakPolarHBondContact O-CG1 3.11Å; R202-I206 PolarHBondContact O-N 3.03Å; Q203-I206 WeakPolarHBondContact O-CB 3.36Å; Q203-I206 PolarHBondContact O-N 3.1Å; Q203-I206 VanDerWaalsContact O-N 3.07Å; I206-T208 PolarHBondContact O-N 3.06Å; I206-N209 WeakPolarHBondContact O-CA 3.49Å; I206-N209 VanDerWaalsContact O-CB 3.29Å; I206-N209 WeakPolarHBondContact O-CB 3.11Å; I206-N209 PolarHBondContact O-N 3.27Å; I206-W210 VanDerWaalsContact O-CD1 3.22Å; I206-W210 PolarHBondContact O-N 3.46Å; I206-N524 VanDerWaalsContact CG2-O 3.23Å; I206-N524 WeakPolarHBondContact CG2-O 3.32Å; I206-T525 HydrophobicContact CD1-CG2 3.82Å; I206-T525 HydrophobicContact CG1-CG2 4.48Å; I206-V549 HydrophobicContact CG1-CG2 3.89Å
207	D	95.4	Very high	94.9	Very high	13 Å²	13	58.6 Å²	58.6	7%	0.07	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-38.1	177.9	-69.4	-13.3	0	0	0	112	Q203 N209 R211 N480 F481	Q203-D207 PolarHBondContact NE2-OD1 3.08Å; Q203-D207 PolarHBondContact O-N 2.97Å; D207-N209 VanDerWaalsContact C-N 3.35Å; D207-R211 WeakPolarHBondContact O-CG 3.49Å; D207-R211 PolarHBondContact O-N 3.41Å; D207-R211 VanDerWaalsContact O-N 3.07Å; D207-N480 PolarHBondContact OD2-ND2 2.9Å; D207-F481 HydrophobicContact CB-CE2 4.48Å; D207-F481 HydrophobicContact CB-CZ 4.48Å
208	T	95.8	Very high	95	Very high	34 Å²	34	60.4 Å²	60.4	21%	0.209	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-40	173.4	-62	0	0	0	0	111.6	H204 R205 I206 R211 R212 G213	H204-T208 WeakPolarHBondContact O-CB 3.36Å; H204-T208 PolarHBondContact O-N 2.81Å; H204-T208 PolarHBondContact O-OG1 3.33Å; R205-T208 WeakPolarHBondContact O-CB 3.31Å; R205-T208 PolarHBondContact O-N 2.84Å; I206-T208 PolarHBondContact O-N 3.06Å; T208-R211 PolarHBondContact O-N 2.99Å; T208-R212 HydrophobicContact CG2-CG 3.98Å; T208-R212 WeakPolarHBondContact O-CG 2.84Å; T208-R212 PolarHBondContact O-N 3.35Å; T208-G213 PolarHBondContact O-N 3.25Å
209	N	96.8	Very high	95.3	Very high	28 Å²	28	62.5 Å²	62.5	15%	0.15	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-41.3	179.4	-154.7	23.1	0	0	0	111.1	R205 I206 D207 G213 F547	R205-N209 WeakPolarHBondContact O-CB 3.2Å; R205-N209 PolarHBondContact O-N 3Å; I206-N209 WeakPolarHBondContact O-CA 3.49Å; I206-N209 VanDerWaalsContact O-CB 3.29Å; I206-N209 WeakPolarHBondContact O-CB 3.11Å; I206-N209 PolarHBondContact O-N 3.27Å; D207-N209 VanDerWaalsContact C-N 3.35Å; N209-G213 VanDerWaalsContact O-CA 3.26Å; N209-G213 WeakPolarHBondContact O-CA 3.43Å; N209-G213 PolarHBondContact O-N 3.44Å; N209-G213 WeakPolarHBondContact OD1-CA 3.33Å; N209-F547 VanDerWaalsContact ND2-C 3.26Å; N209-F547 WeakPolarHBondContact ND2-CA 3.22Å; N209-F547 PolarHBondContact ND2-O 3.38Å
210	W	97.6	Very high	95.5	Very high	11 Å²	11	65.7 Å²	65.7	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-59.1	-48.5	170.1	-77.8	99.5	0	0	0	112.2	I206 F481 I483 L493 L505 A522 N524 L527 F547	I206-W210 VanDerWaalsContact O-CD1 3.22Å; I206-W210 PolarHBondContact O-N 3.46Å; W210-F481 HydrophobicContact CB-CE2 4.3Å; W210-F481 HydrophobicContact CB-CZ 4.42Å; W210-I483 HydrophobicContact CE3-CD1 4.39Å; W210-I483 HydrophobicContact CH2-CD1 3.77Å; W210-I483 HydrophobicContact CZ3-CD1 3.54Å; W210-I483 HydrophobicContact CZ3-CG1 4.44Å; W210-L493 HydrophobicContact CB-CD2 4.24Å; W210-L493 HydrophobicContact CE3-CD1 4.44Å; W210-L493 VanDerWaalsContact O-CD2 3.27Å; W210-L493 WeakPolarHBondContact O-CD2 3.35Å; W210-L505 HydrophobicContact CE3-CD1 3.92Å; W210-L505 HydrophobicContact CZ3-CD1 3.7Å; W210-A522 HydrophobicContact CH2-CB 4.35Å; W210-N524 PolarHBondContact NE1-O 2.9Å; W210-L527 HydrophobicContact CH2-CB 3.75Å; W210-L527 HydrophobicContact CZ3-CB 4.11Å; W210-F547 HydrophobicContact CB-CD1 4.5Å; W210-F547 HydrophobicContact CD2-CB 4.11Å; W210-F547 AromaticContact CD2-CD1 3.96Å; W210-F547 HydrophobicContact CD2-CD1 3.96Å; W210-F547 AromaticContact CD2-CD2 3.62Å; W210-F547 HydrophobicContact CD2-CD2 3.62Å; W210-F547 HydrophobicContact CD2-CE1 4.29Å; W210-F547 AromaticContact CD2-CE2 3.98Å; W210-F547 HydrophobicContact CD2-CE2 3.98Å; W210-F547 AromaticContact CD2-CG 3.61Å; W210-F547 HydrophobicContact CD2-CG 3.61Å; W210-F547 HydrophobicContact CD2-CZ 4.3Å; W210-F547 AromaticContact CE2-CD2 3.43Å; W210-F547 VanDerWaalsContact CE2-CD2 3.43Å; W210-F547 AromaticContact CE2-CG 3.61Å; W210-F547 HydrophobicContact CE3-CD1 4.26Å; W210-F547 AromaticContact CE3-CD2 3.76Å; W210-F547 HydrophobicContact CE3-CD2 3.76Å; W210-F547 HydrophobicContact CE3-CE1 4.11Å; W210-F547 AromaticContact CE3-CE2 3.6Å; W210-F547 HydrophobicContact CE3-CE2 3.6Å; W210-F547 HydrophobicContact CE3-CG 4.09Å; W210-F547 AromaticContact CE3-CZ 3.79Å; W210-F547 HydrophobicContact CE3-CZ 3.79Å; W210-F547 HydrophobicContact CG-CB 4.12Å; W210-F547 HydrophobicContact CG-CD1 4.07Å; W210-F547 HydrophobicContact CG-CD2 4.43Å; W210-F547 AromaticContact CG-CG 3.95Å; W210-F547 HydrophobicContact CG-CG 3.95Å; W210-F547 AromaticContact CH2-CD2 3.63Å; W210-F547 HydrophobicContact CH2-CD2 3.63Å; W210-F547 AromaticContact CH2-CE2 3.63Å; W210-F547 HydrophobicContact CH2-CE2 3.63Å; W210-F547 HydrophobicContact CZ2-CB 4.4Å; W210-F547 AromaticContact CZ2-CD2 3.43Å; W210-F547 HydrophobicContact CZ2-CD2 3.43Å; W210-F547 VanDerWaalsContact CZ2-CD2 3.43Å; W210-F547 AromaticContact CZ2-CE2 3.96Å; W210-F547 HydrophobicContact CZ2-CE2 3.96Å; W210-F547 HydrophobicContact CZ2-CG 4.11Å; W210-F547 AromaticContact CZ3-CD2 3.77Å; W210-F547 HydrophobicContact CZ3-CD2 3.77Å; W210-F547 AromaticContact CZ3-CE2 3.42Å; W210-F547 HydrophobicContact CZ3-CE2 3.42Å; W210-F547 VanDerWaalsContact CZ3-CE2 3.42Å; W210-F547 AromaticContact CZ3-CZ 3.95Å; W210-F547 HydrophobicContact CZ3-CZ 3.95Å; W210-F547 AromaticContact NE1-CG 3.88Å
211	R	97.4	Very high	95.7	Very high	78 Å²	78	64.5 Å²	64.5	29%	0.294	32%	0.315	S	S	.	.	H	α-helix	trans	-65.4	-48.4	-176.5	-81	171.7	167.9	103.1	7	113.4	D207 T208 F481 D495 I502 R503	D207-R211 WeakPolarHBondContact O-CG 3.49Å; D207-R211 PolarHBondContact O-N 3.41Å; D207-R211 VanDerWaalsContact O-N 3.07Å; T208-R211 PolarHBondContact O-N 2.99Å; R211-F481 HydrophobicContact CG-CE1 3.37Å; R211-F481 HydrophobicContact CG-CZ 3.53Å; R211-D495 IonicContact NH2-OD2 3.16Å; R211-D495 PolarHBondContact NH2-OD2 3.25Å; R211-D495 VanDerWaalsContact NH2-OD2 3.14Å; R211-I502 HydrophobicContact CB-CG2 4.4Å; R211-I502 HydrophobicContact CG-CD1 4.31Å; R211-I502 HydrophobicContact CG-CG2 4.44Å; R211-I502 WeakPolarHBondContact O-CG2 3.37Å; R211-R503 VanDerWaalsContact O-CD 3.22Å; R211-R503 WeakPolarHBondContact O-CD 3.37Å
212	R	96.7	Very high	95.9	Very high	186 Å²	186	68.3 Å²	68.3	70%	0.702	33%	0.331	S	S	*	.	H	α-helix	trans	-148.6	7.5	-165.6	63.5	176.3	175.8	-142.3	-7.7	114.3	T208	T208-R212 HydrophobicContact CG2-CG 3.98Å; T208-R212 WeakPolarHBondContact O-CG 2.84Å; T208-R212 PolarHBondContact O-N 3.35Å
213	G	95.2	Very high	96	Very high	12 Å²	12	66.1 Å²	66.1	12%	0.124	33%	0.325	C	S	.	.	S	Bend	trans	-65.6	156.4	174.6	0	0	0	0	0	112.1	T208 N209 L215 R503	T208-G213 PolarHBondContact O-N 3.25Å; N209-G213 VanDerWaalsContact O-CA 3.26Å; N209-G213 WeakPolarHBondContact O-CA 3.43Å; N209-G213 PolarHBondContact O-N 3.44Å; N209-G213 WeakPolarHBondContact OD1-CA 3.33Å; G213-L215 PolarHBondContact O-N 2.74Å; G213-R503 PolarHBondContact O-NH1 3.24Å
214	D	94.6	Very high	96.2	Very high	152 Å²	152	64.6 Å²	64.6	81%	0.813	32%	0.318	S	S	*	.			trans	-66.3	129.1	174.1	-63.1	-37	0	0	0	109.6	K216	D214-K216 PolarHBondContact O-N 3.35Å
215	L	93.6	Very high	96.3	Very high	69 Å²	69	65.1 Å²	65.1	36%	0.361	32%	0.324	S	S	.	.			trans	-74.1	101.8	178.4	-68.1	172.2	0	0	0	108.7	G213 L505 L545 F547	G213-L215 PolarHBondContact O-N 2.74Å; L215-L505 HydrophobicContact CD2-CD2 4.25Å; L215-L545 HydrophobicContact CD2-CD2 4.39Å; L215-F547 HydrophobicContact CD2-CE1 3.91Å; L215-F547 HydrophobicContact CD2-CZ 4.18Å
216	K	93.4	Very high	96.3	Very high	114 Å²	114	66.6 Å²	66.6	50%	0.496	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-60.9	144	169.9	-61.6	174.3	-175.2	170.7	0	109.3	D214	D214-K216 PolarHBondContact O-N 3.35Å
217	S	95.1	Very high	96.4	Very high	113 Å²	113	70.2 Å²	70.2	79%	0.79	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-53.8	122.8	174.3	55.7	0	0	0	0	110
218	P	97.2	Very high	96.6	Very high	49 Å²	49	71.3 Å²	71.3	32%	0.318	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-64.8	151.8	-178.3	25.3	-32.8	0	0	0	110.8	V220 L543 V544 L545	P218-V220 PolarHBondContact O-N 2.94Å; P218-L543 HydrophobicContact CB-CB 4.21Å; P218-L543 HydrophobicContact CG-CD2 4.33Å; P218-V544 WeakPolarHBondContact CA-O 3.45Å; P218-L545 HydrophobicContact CB-CD1 3.92Å; P218-L545 HydrophobicContact CB-CG 4.03Å
219	K	98	Very high	96.7	Very high	75 Å²	75	69.8 Å²	69.8	33%	0.326	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.6	164.8	-58.3	-168	-179.8	96.1	0	108.5	I254 V544	K219-I254 WeakPolarHBondContact CE-O 3.39Å; K219-I254 PolarHBondContact NZ-O 3.42Å; K219-V544 HydrophobicContact CB-CB 4.27Å; K219-V544 PolarHBondContact N-O 2.87Å; K219-V544 PolarHBondContact O-N 2.92Å
220	V	98.4	Very high	96.8	Very high	75 Å²	75	68.8 Å²	68.8	46%	0.455	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.8	178	176	0	0	0	0	109.4	P218 K222 K541 L543	P218-V220 PolarHBondContact O-N 2.94Å; V220-K222 HydrophobicContact CG1-CG 3.97Å; V220-K541 HydrophobicContact CG1-CB 4.35Å; V220-K541 HydrophobicContact CG1-CD 3.57Å; V220-L543 HydrophobicContact CG2-CD2 3.92Å
221	L	98.3	Very high	96.8	Very high	3 Å²	3	68.7 Å²	68.7	2%	0.016	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	89.7	178.6	-60.3	174.5	0	0	0	108.6	I239 W251 G256 K541 L542 V544	L221-I239 HydrophobicContact CD1-CD1 4.23Å; L221-W251 HydrophobicContact CB-CD2 4.34Å; L221-W251 HydrophobicContact CB-CE3 3.88Å; L221-W251 HydrophobicContact CB-CH2 4.42Å; L221-W251 HydrophobicContact CB-CZ3 3.92Å; L221-W251 HydrophobicContact CD1-CB 4.1Å; L221-W251 HydrophobicContact CD1-CD2 4.24Å; L221-W251 HydrophobicContact CD1-CE3 4.26Å; L221-W251 HydrophobicContact CD1-CG 4.18Å; L221-W251 HydrophobicContact CD2-CE3 3.76Å; L221-W251 HydrophobicContact CD2-CZ3 4.29Å; L221-W251 HydrophobicContact CG-CE3 4.19Å; L221-G256 WeakPolarHBondContact CD2-O 3.49Å; L221-K541 CarbonylContact O-C 3.55Å; L221-K541 VanDerWaalsContact O-CA 3.27Å; L221-K541 WeakPolarHBondContact O-CA 3.33Å; L221-K541 WeakPolarHBondContact O-CB 3.31Å; L221-L542 HydrophobicContact CB-CB 3.9Å; L221-L542 HydrophobicContact CB-CG 4.47Å; L221-L542 HydrophobicContact CD1-CB 3.93Å; L221-L542 HydrophobicContact CD1-CD1 3.99Å; L221-L542 HydrophobicContact CG-CB 4.35Å; L221-L542 PolarHBondContact N-O 3.11Å; L221-L542 PolarHBondContact O-N 3.39Å; L221-V544 HydrophobicContact CD1-CG2 3.59Å; L221-V544 HydrophobicContact CG-CG2 4.31Å
222	K	97.8	Very high	96.9	Very high	122 Å²	122	65.1 Å²	65.1	53%	0.53	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	135.3	178.1	-63.1	-164.3	179.1	-158.9	0	111.2	V220 W251 E539	V220-K222 HydrophobicContact CG1-CG 3.97Å; K222-W251 VanDerWaalsContact O-CH2 3.27Å; K222-W251 WeakPolarHBondContact O-CH2 3.44Å; K222-E539 WeakPolarHBondContact CE-OE2 3.47Å; K222-E539 IonicContact NZ-OE1 2.97Å; K222-E539 IonicContact NZ-OE2 2.81Å; K222-E539 PolarHBondContact NZ-OE2 3.37Å
223	G	96.7	Very high	97	Very high	9 Å²	9	57.6 Å²	57.6	9%	0.093	31%	0.31	C	S	.	.			trans	162.5	165.5	173.8	0	0	0	0	0	111.7
224	H	97.9	Very high	97.1	Very high	3 Å²	3	58.6 Å²	58.6	1%	0.014	31%	0.311	C	S	.	.	S	Bend	trans	62.3	44.9	-164.9	-52.7	-66.5	0	0	0	111.4	D226 H227 I229 S241 S243 D245 T247 T540	H224-D226 PolarHBondContact O-N 2.82Å; H224-H227 HydrophobicContact CB-CB 4.41Å; H224-H227 WeakPolarHBondContact O-CB 3.35Å; H224-H227 PolarHBondContact O-N 3.46Å; H224-H227 VanDerWaalsContact O-N 3.09Å; H224-I229 HydrophobicContact CB-CG1 4.36Å; H224-S241 PolarHBondContact CD2-OG 2.92Å; H224-S241 PolarHBondContact NE2-O 2.81Å; H224-S241 PolarHBondContact NE2-OG 3.31Å; H224-S243 VanDerWaalsContact CG-CB 3.48Å; H224-S243 WeakPolarHBondContact ND1-CB 3.26Å; H224-D245 IonicContact CE1-OD1 2.72Å; H224-D245 IonicContact CE1-OD2 2.65Å; H224-D245 IonicContact CG-OD2 3.43Å; H224-D245 IonicContact ND1-OD1 2.93Å; H224-D245 PolarHBondContact ND1-OD1 3.38Å; H224-D245 IonicContact ND1-OD2 3.49Å; H224-D245 PolarHBondContact ND1-OD2 3Å; H224-T247 PolarHBondContact CE1-OG1 3.07Å; H224-T247 VanDerWaalsContact CE1-OG1 3.27Å; H224-T247 PolarHBondContact ND1-OG1 2.89Å; H224-T540 HydrophobicContact CB-CG2 3.97Å; H224-T540 WeakPolarHBondContact O-CB 3.4Å; H224-T540 VanDerWaalsContact O-CG2 3.31Å; H224-T540 WeakPolarHBondContact O-CG2 3.37Å
225	D	96.6	Very high	97.1	Very high	105 Å²	105	53.8 Å²	53.8	56%	0.561	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	135.7	-175.6	-54.3	-21.6	0	0	0	110.6	H227	D225-H227 PolarHBondContact O-CD2 2.95Å; D225-H227 PolarHBondContact O-N 3.35Å
226	D	94.8	Very high	97	Very high	147 Å²	147	53.4 Å²	53.4	79%	0.786	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	8.2	-176.5	-56.4	-39	0	0	0	116.6	H224	H224-D226 PolarHBondContact O-N 2.82Å
227	H	98.1	Very high	97	Very high	77 Å²	77	52.5 Å²	52.5	36%	0.356	30%	0.302	S	S	.	.	S	Bend	trans	-117	163.3	-176.3	-81	-79.9	0	0	0	112.4	H224 D225 D244 D245 T540	H224-H227 HydrophobicContact CB-CB 4.41Å; H224-H227 WeakPolarHBondContact O-CB 3.35Å; H224-H227 PolarHBondContact O-N 3.46Å; H224-H227 VanDerWaalsContact O-N 3.09Å; D225-H227 PolarHBondContact O-CD2 2.95Å; D225-H227 PolarHBondContact O-N 3.35Å; H227-D244 VanDerWaalsContact CB-OD1 3.24Å; H227-D244 WeakPolarHBondContact CB-OD1 3.41Å; H227-D244 IonicContact CG-OD1 2.9Å; H227-D244 IonicContact ND1-OD1 2.78Å; H227-D244 PolarHBondContact ND1-OD1 2.88Å; H227-D245 HydrophobicContact CB-CB 3.87Å; H227-D245 VanDerWaalsContact CG-CB 3.48Å; H227-T540 WeakPolarHBondContact O-CB 3.25Å; H227-T540 WeakPolarHBondContact O-CG2 3.33Å; H227-T540 PolarHBondContact O-OG1 3.37Å
228	V	98.3	Very high	97.1	Very high	35 Å²	35	50.2 Å²	50.2	21%	0.212	28%	0.276	C	S	.	.			trans	-94.4	134.9	-179.2	178.7	0	0	0	0	110.2	T230 S243 D244 W518	V228-T230 HydrophobicContact CG1-CG2 4.41Å; V228-T230 PolarHBondContact O-N 3.29Å; V228-S243 WeakPolarHBondContact O-CA 3.45Å; V228-S243 VanDerWaalsContact O-CB 3.29Å; V228-S243 WeakPolarHBondContact O-CB 3.43Å; V228-S243 PolarHBondContact O-OG 2.71Å; V228-D244 PolarHBondContact N-OD1 2.99Å; V228-D244 PolarHBondContact O-N 3.31Å; V228-W518 HydrophobicContact CB-CH2 4.29Å; V228-W518 HydrophobicContact CB-CZ2 4.29Å; V228-W518 HydrophobicContact CG1-CD2 3.96Å; V228-W518 HydrophobicContact CG1-CE3 4.21Å; V228-W518 HydrophobicContact CG1-CG 4.47Å; V228-W518 HydrophobicContact CG1-CH2 4.27Å; V228-W518 HydrophobicContact CG1-CZ2 4.05Å; V228-W518 HydrophobicContact CG1-CZ3 4.35Å; V228-W518 HydrophobicContact CG2-CH2 4.29Å; V228-W518 HydrophobicContact CG2-CZ2 3.97Å
229	I	98.7	Very high	97.2	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	106.2	168.2	-61.1	173.7	0	0	0	108.3	H224 G242 W518 A530 T540 L542	H224-I229 HydrophobicContact CB-CG1 4.36Å; I229-G242 CarbonylContact C-O 3.57Å; I229-G242 WeakPolarHBondContact CA-O 3.34Å; I229-W518 HydrophobicContact CB-CE3 3.89Å; I229-W518 HydrophobicContact CB-CZ3 4.03Å; I229-W518 HydrophobicContact CG1-CE3 4.46Å; I229-W518 HydrophobicContact CG1-CZ3 4.14Å; I229-A530 HydrophobicContact CB-CB 3.99Å; I229-A530 HydrophobicContact CD1-CB 4.12Å; I229-A530 HydrophobicContact CG2-CB 3.74Å; I229-T540 HydrophobicContact CD1-CG2 3.74Å; I229-T540 HydrophobicContact CG1-CG2 3.71Å; I229-L542 HydrophobicContact CD1-CD2 3.55Å; I229-L542 HydrophobicContact CD1-CG 4.24Å
230	T	98.4	Very high	97.2	Very high	8 Å²	8	44.3 Å²	44.3	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-28.8	-170.5	62.3	0	0	0	0	113	V228 G242 D244 V269 W270 R519	V228-T230 HydrophobicContact CG1-CG2 4.41Å; V228-T230 PolarHBondContact O-N 3.29Å; T230-G242 PolarHBondContact N-O 2.95Å; T230-G242 PolarHBondContact OG1-O 3.02Å; T230-D244 HydrophobicContact CG2-CB 4.36Å; T230-V269 WeakPolarHBondContact CB-O 3.39Å; T230-V269 WeakPolarHBondContact CG2-O 3.37Å; T230-V269 PolarHBondContact OG1-O 2.91Å; T230-W270 HydrophobicContact CG2-CD2 4.14Å; T230-W270 HydrophobicContact CG2-CE3 3.91Å; T230-W270 HydrophobicContact CG2-CH2 4.27Å; T230-W270 HydrophobicContact CG2-CZ2 4.47Å; T230-W270 HydrophobicContact CG2-CZ3 3.98Å; T230-R519 PolarHBondContact O-NE 3.4Å; T230-R519 PolarHBondContact O-NH2 3.4Å
231	C	98.3	Very high	97.2	Very high	9 Å²	9	40.8 Å²	40.8	6%	0.061	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.3	178.6	58	0	0	0	0	111.8	G242 S272	C231-G242 PolarHBondContact N-O 3.04Å; C231-G242 PolarHBondContact O-N 2.79Å; C231-S272 PolarHBondContact SG-OG 3.14Å
232	L	98.7	Very high	97.3	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	127.2	-175.3	-176.4	67.4	0	0	0	109.9	I239 V240 R519 R521 V528 A530 L542	L232-I239 HydrophobicContact CD1-CG2 3.76Å; L232-V240 WeakPolarHBondContact CA-O 3.4Å; L232-R519 HydrophobicContact CB-CB 4.31Å; L232-R519 HydrophobicContact CD2-CB 4.46Å; L232-R521 HydrophobicContact CB-CG 4.49Å; L232-R521 HydrophobicContact CD2-CB 4.28Å; L232-R521 HydrophobicContact CD2-CG 4.01Å; L232-R521 HydrophobicContact CG-CG 3.97Å; L232-R521 PolarHBondContact O-NE 2.94Å; L232-R521 VanDerWaalsContact O-NE 3.15Å; L232-V528 HydrophobicContact CD1-CG1 4.26Å; L232-V528 HydrophobicContact CD2-CG1 4.14Å; L232-A530 HydrophobicContact CD2-CB 4.28Å; L232-L542 HydrophobicContact CD1-CD1 4.41Å; L232-L542 HydrophobicContact CD1-CD2 3.93Å
233	Q	98.4	Very high	97.3	Very high	27 Å²	27	34.8 Å²	34.8	13%	0.126	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147	174.1	-62.1	-62.8	-13	0	0	110.8	I239 V240 S272 M274	Q233-I239 CarbonylContact O-C 3.53Å; Q233-I239 WeakPolarHBondContact O-CA 3.47Å; Q233-V240 HydrophobicContact CB-CB 4.27Å; Q233-V240 PolarHBondContact N-O 3.35Å; Q233-V240 PolarHBondContact O-N 2.94Å; Q233-S272 PolarHBondContact NE2-O 3.04Å; Q233-M274 HydrophobicContact CB-CB 3.98Å; Q233-M274 HydrophobicContact CB-CE 4.04Å; Q233-M274 HydrophobicContact CG-CB 4.26Å
234	F	97.4	Very high	97.4	Very high	34 Å²	34	36.7 Å²	36.7	15%	0.149	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	114.1	178.2	-177.7	-149	0	0	0	109.4	G236 R238 I239 A253 R521 S523 K526 V528	F234-G236 VanDerWaalsContact CE2-O 3.3Å; F234-G236 WeakPolarHBondContact CE2-O 3.42Å; F234-R238 WeakPolarHBondContact CD2-O 3.22Å; F234-I239 HydrophobicContact CD2-CG1 3.67Å; F234-I239 HydrophobicContact CE2-CG1 4.09Å; F234-I239 HydrophobicContact CG-CG1 4.41Å; F234-A253 HydrophobicContact CE2-CB 3.69Å; F234-A253 HydrophobicContact CZ-CB 4.23Å; F234-R521 HydrophobicContact CB-CB 3.62Å; F234-R521 HydrophobicContact CB-CG 4.13Å; F234-R521 HydrophobicContact CD1-CB 4.25Å; F234-R521 HydrophobicContact CG-CB 4.41Å; F234-S523 WeakPolarHBondContact CE1-OG 3.3Å; F234-K526 HydrophobicContact CE1-CB 4.28Å; F234-K526 HydrophobicContact CZ-CB 4.22Å; F234-V528 HydrophobicContact CD1-CG2 4Å; F234-V528 HydrophobicContact CD2-CG2 4.42Å; F234-V528 HydrophobicContact CE1-CG2 4.07Å; F234-V528 HydrophobicContact CG-CG2 4.18Å; F234-V528 HydrophobicContact CZ-CG2 4.37Å
235	C	94.8	Very high	97.4	Very high	51 Å²	51	38.2 Å²	38.2	35%	0.345	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	124.1	-179.5	-173.4	0	0	0	0	109.3	N237 R238 M274	C235-N237 PolarHBondContact O-N 3.37Å; C235-R238 PolarHBondContact N-O 2.92Å; C235-R238 PolarHBondContact O-N 2.88Å; C235-M274 HydrophobicContact CB-CE 3.3Å; C235-M274 HydrophobicContact CB-CG 4.44Å; C235-M274 HydrophobicContact CB-SD 4.41Å; C235-M274 VanDerWaalsContact N-CE 3.26Å
236	G	91.4	Very high	97.5	Very high	61 Å²	61	36 Å²	36	63%	0.629	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	-111.8	-174.7	0	0	0	0	0	111.8	F234	F234-G236 VanDerWaalsContact CE2-O 3.3Å; F234-G236 WeakPolarHBondContact CE2-O 3.42Å
237	N	94.4	Very high	97.7	Very high	94 Å²	94	29.9 Å²	29.9	50%	0.503	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	7.6	-178.9	-65.8	-41.5	0	0	0	114	C235 A253 I254	C235-N237 PolarHBondContact O-N 3.37Å; N237-A253 PolarHBondContact O-N 2.97Å; N237-I254 HydrophobicContact CB-CD1 3.99Å; N237-I254 HydrophobicContact CB-CG1 4.18Å
238	R	97.1	Very high	97.8	Very high	66 Å²	66	26.2 Å²	26.2	25%	0.249	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135	-178.7	-61.9	-169.5	-160	-98.2	-4.1	111.7	F234 C235 W251 M274 E294	F234-R238 WeakPolarHBondContact CD2-O 3.22Å; C235-R238 PolarHBondContact N-O 2.92Å; C235-R238 PolarHBondContact O-N 2.88Å; R238-W251 WeakPolarHBondContact CA-O 3.46Å; R238-M274 WeakPolarHBondContact O-CE 2.98Å; R238-E294 IonicContact CZ-OE2 2.78Å; R238-E294 IonicContact NH1-OE2 3.29Å; R238-E294 PolarHBondContact NH1-OE2 3.49Å; R238-E294 IonicContact NH2-OE2 3.45Å; R238-E294 PolarHBondContact NH2-OE2 2.94Å
239	I	98.5	Very high	97.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.7	172.2	-59.1	161	0	0	0	107.5	L221 L232 Q233 F234 V250 W251 A253 V528 L542 V544	L221-I239 HydrophobicContact CD1-CD1 4.23Å; L232-I239 HydrophobicContact CD1-CG2 3.76Å; Q233-I239 CarbonylContact O-C 3.53Å; Q233-I239 WeakPolarHBondContact O-CA 3.47Å; F234-I239 HydrophobicContact CD2-CG1 3.67Å; F234-I239 HydrophobicContact CE2-CG1 4.09Å; F234-I239 HydrophobicContact CG-CG1 4.41Å; I239-V250 CarbonylContact O-C 3.56Å; I239-V250 WeakPolarHBondContact O-CA 3.27Å; I239-W251 HydrophobicContact CB-CB 4.18Å; I239-W251 PolarHBondContact N-O 3.27Å; I239-W251 PolarHBondContact O-N 2.66Å; I239-A253 HydrophobicContact CD1-CB 3.78Å; I239-A253 HydrophobicContact CG1-CB 4.05Å; I239-V528 HydrophobicContact CD1-CB 4.41Å; I239-V528 HydrophobicContact CD1-CG1 3.88Å; I239-V528 HydrophobicContact CD1-CG2 3.58Å; I239-V528 HydrophobicContact CG1-CG1 4.3Å; I239-V528 HydrophobicContact CG1-CG2 3.96Å; I239-V528 HydrophobicContact CG2-CG1 3.92Å; I239-L542 HydrophobicContact CG2-CD1 3.75Å; I239-V544 HydrophobicContact CD1-CG2 3.72Å
240	V	98.8	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.2	173.3	-178.5	0	0	0	0	109.2	L232 Q233 L248 K249 V250 M274 I279	L232-V240 WeakPolarHBondContact CA-O 3.4Å; Q233-V240 HydrophobicContact CB-CB 4.27Å; Q233-V240 PolarHBondContact N-O 3.35Å; Q233-V240 PolarHBondContact O-N 2.94Å; V240-L248 HydrophobicContact CG1-CB 4.31Å; V240-L248 HydrophobicContact CG1-CD2 3.93Å; V240-K249 WeakPolarHBondContact CA-O 3.2Å; V240-V250 HydrophobicContact CG2-CG1 4.46Å; V240-V250 HydrophobicContact CG2-CG2 4.3Å; V240-M274 HydrophobicContact CB-SD 4.49Å; V240-M274 HydrophobicContact CG2-CE 4.1Å; V240-M274 HydrophobicContact CG2-SD 3.4Å; V240-M274 WeakPolarHBondContact CG2-SD 3.34Å; V240-I279 HydrophobicContact CG1-CD1 4.22Å; V240-I279 HydrophobicContact CG1-CG2 4.19Å; V240-I279 HydrophobicContact CG2-CD1 3.5Å; V240-I279 VanDerWaalsContact CG2-CD1 3.5Å; V240-I279 HydrophobicContact CG2-CG1 3.99Å
241	S	98.8	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.5	169.9	53.7	0	0	0	0	109.3	H224 L248 K249 W251	H224-S241 PolarHBondContact CD2-OG 2.92Å; H224-S241 PolarHBondContact NE2-O 2.81Å; H224-S241 PolarHBondContact NE2-OG 3.31Å; S241-L248 CarbonylContact O-C 3.48Å; S241-L248 WeakPolarHBondContact O-CA 3.36Å; S241-L248 WeakPolarHBondContact O-CB 3.46Å; S241-K249 PolarHBondContact N-O 3.47Å; S241-K249 PolarHBondContact O-N 3.01Å; S241-W251 PolarHBondContact OG-NE1 3.38Å
242	G	98.8	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	144	167.2	0	0	0	0	0	110.2	I229 T230 C231	I229-G242 CarbonylContact C-O 3.57Å; I229-G242 WeakPolarHBondContact CA-O 3.34Å; T230-G242 PolarHBondContact N-O 2.95Å; T230-G242 PolarHBondContact OG1-O 3.02Å; C231-G242 PolarHBondContact N-O 3.04Å; C231-G242 PolarHBondContact O-N 2.79Å
243	S	98.8	Very high	97.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	162.5	-170.8	178.9	0	0	0	0	112.9	H224 V228 D245 N246 T247 V269	H224-S243 VanDerWaalsContact CG-CB 3.48Å; H224-S243 WeakPolarHBondContact ND1-CB 3.26Å; V228-S243 WeakPolarHBondContact O-CA 3.45Å; V228-S243 VanDerWaalsContact O-CB 3.29Å; V228-S243 WeakPolarHBondContact O-CB 3.43Å; V228-S243 PolarHBondContact O-OG 2.71Å; S243-D245 WeakPolarHBondContact CB-OD1 3.29Å; S243-D245 PolarHBondContact O-N 2.77Å; S243-D245 PolarHBondContact OG-N 2.92Å; S243-N246 PolarHBondContact O-N 3.39Å; S243-T247 PolarHBondContact N-O 3.28Å; S243-T247 VanDerWaalsContact N-O 3.15Å; S243-V269 WeakPolarHBondContact O-CB 3.23Å; S243-V269 PolarHBondContact O-N 2.89Å
244	D	98.5	Very high	97.5	Very high	49 Å²	49	29.4 Å²	29.4	26%	0.262	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-0.3	169.5	65.2	0.6	0	0	0	113.8	H227 V228 T230 N246	H227-D244 VanDerWaalsContact CB-OD1 3.24Å; H227-D244 WeakPolarHBondContact CB-OD1 3.41Å; H227-D244 IonicContact CG-OD1 2.9Å; H227-D244 IonicContact ND1-OD1 2.78Å; H227-D244 PolarHBondContact ND1-OD1 2.88Å; V228-D244 PolarHBondContact N-OD1 2.99Å; V228-D244 PolarHBondContact O-N 3.31Å; T230-D244 HydrophobicContact CG2-CB 4.36Å; D244-N246 PolarHBondContact O-N 3.09Å; D244-N246 PolarHBondContact O-OD1 2.9Å
245	D	98.6	Very high	97.5	Very high	35 Å²	35	31.5 Å²	31.5	19%	0.187	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	10	166.7	81.3	-8	0	0	0	114.5	H224 H227 S243 T247	H224-D245 IonicContact CE1-OD1 2.72Å; H224-D245 IonicContact CE1-OD2 2.65Å; H224-D245 IonicContact CG-OD2 3.43Å; H224-D245 IonicContact ND1-OD1 2.93Å; H224-D245 PolarHBondContact ND1-OD1 3.38Å; H224-D245 IonicContact ND1-OD2 3.49Å; H224-D245 PolarHBondContact ND1-OD2 3Å; H227-D245 HydrophobicContact CB-CB 3.87Å; H227-D245 VanDerWaalsContact CG-CB 3.48Å; S243-D245 WeakPolarHBondContact CB-OD1 3.29Å; S243-D245 PolarHBondContact O-N 2.77Å; S243-D245 PolarHBondContact OG-N 2.92Å; D245-T247 VanDerWaalsContact CG-OG1 3.27Å; D245-T247 PolarHBondContact O-N 2.93Å; D245-T247 WeakPolarHBondContact OD1-CA 3.41Å; D245-T247 WeakPolarHBondContact OD1-CB 3.42Å; D245-T247 PolarHBondContact OD1-N 2.93Å; D245-T247 PolarHBondContact OD1-OG1 2.86Å; D245-T247 PolarHBondContact OD2-OG1 3.07Å
246	N	98.7	Very high	97.6	Very high	58 Å²	58	30.1 Å²	30.1	31%	0.31	18%	0.177	S	C	.	.	S	Bend	trans	69.8	2.3	-177	-46.9	-23.2	0	0	0	115.3	S243 D244 G267 G268	S243-N246 PolarHBondContact O-N 3.39Å; D244-N246 PolarHBondContact O-N 3.09Å; D244-N246 PolarHBondContact O-OD1 2.9Å; N246-G267 VanDerWaalsContact OD1-CA 3.23Å; N246-G267 WeakPolarHBondContact OD1-CA 3.42Å; N246-G267 PolarHBondContact OD1-O 3.27Å; N246-G268 WeakPolarHBondContact OD1-CA 3.22Å; N246-G268 PolarHBondContact OD1-N 3.38Å
247	T	98.8	Very high	97.9	Very high	19 Å²	19	34.1 Å²	34.1	12%	0.117	18%	0.177	C	C	.	.			trans	-112.4	162.4	-177.3	77.2	0	0	0	0	112.8	H224 S243 D245 T261 V263	H224-T247 PolarHBondContact CE1-OG1 3.07Å; H224-T247 VanDerWaalsContact CE1-OG1 3.27Å; H224-T247 PolarHBondContact ND1-OG1 2.89Å; S243-T247 PolarHBondContact N-O 3.28Å; S243-T247 VanDerWaalsContact N-O 3.15Å; D245-T247 VanDerWaalsContact CG-OG1 3.27Å; D245-T247 PolarHBondContact O-N 2.93Å; D245-T247 WeakPolarHBondContact OD1-CA 3.41Å; D245-T247 WeakPolarHBondContact OD1-CB 3.42Å; D245-T247 PolarHBondContact OD1-N 2.93Å; D245-T247 PolarHBondContact OD1-OG1 2.86Å; D245-T247 PolarHBondContact OD2-OG1 3.07Å; T247-T261 HydrophobicContact CG2-CG2 4.26Å; T247-V263 HydrophobicContact CG2-CG2 4.23Å
248	L	98.9	Very high	98.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	149.9	158.3	-58.2	92.3	0	0	0	109.5	V240 S241 T261 L262 V269 I279	V240-L248 HydrophobicContact CG1-CB 4.31Å; V240-L248 HydrophobicContact CG1-CD2 3.93Å; S241-L248 CarbonylContact O-C 3.48Å; S241-L248 WeakPolarHBondContact O-CA 3.36Å; S241-L248 WeakPolarHBondContact O-CB 3.46Å; L248-T261 CarbonylContact O-C 3.53Å; L248-T261 WeakPolarHBondContact O-CA 3.32Å; L248-L262 HydrophobicContact CB-CB 4.14Å; L248-L262 HydrophobicContact CB-CD1 4.1Å; L248-L262 HydrophobicContact CB-CG 4.31Å; L248-L262 PolarHBondContact N-O 3.36Å; L248-L262 PolarHBondContact O-N 2.8Å; L248-V269 HydrophobicContact CD1-CB 4.5Å; L248-V269 HydrophobicContact CD1-CG1 4.12Å; L248-V269 HydrophobicContact CD1-CG2 3.7Å; L248-V269 HydrophobicContact CD2-CG1 4.18Å; L248-V269 HydrophobicContact CG-CG1 4.11Å; L248-V269 HydrophobicContact CG-CG2 4.21Å; L248-I279 HydrophobicContact CD2-CG2 4.25Å
249	K	98.8	Very high	98.1	Very high	36 Å²	36	31.8 Å²	31.8	16%	0.157	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.7	173.8	-68.4	175.2	-174.9	-70.2	0	110.2	V240 S241 W251 R260 T261	V240-K249 WeakPolarHBondContact CA-O 3.2Å; S241-K249 PolarHBondContact N-O 3.47Å; S241-K249 PolarHBondContact O-N 3.01Å; K249-W251 HydrophobicContact CB-CZ2 3.52Å; K249-W251 HydrophobicContact CD-CH2 3.92Å; K249-W251 HydrophobicContact CD-CZ2 3.46Å; K249-W251 VanDerWaalsContact CD-CZ2 3.46Å; K249-W251 HydrophobicContact CG-CZ2 4.11Å; K249-W251 VanDerWaalsContact O-CD1 3.24Å; K249-W251 PolarHBondContact O-NE1 2.95Å; K249-R260 WeakPolarHBondContact CA-O 3.38Å; K249-T261 HydrophobicContact CG-CG2 4.1Å; K249-T261 PolarHBondContact NZ-OG1 2.63Å
250	V	98.8	Very high	98.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.7	175.1	-172.5	0	0	0	0	108.1	I239 V240 L259 R260 L262 I279	I239-V250 CarbonylContact O-C 3.56Å; I239-V250 WeakPolarHBondContact O-CA 3.27Å; V240-V250 HydrophobicContact CG2-CG1 4.46Å; V240-V250 HydrophobicContact CG2-CG2 4.3Å; V250-L259 HydrophobicContact CG1-CD1 4.46Å; V250-L259 WeakPolarHBondContact O-CA 3.39Å; V250-L259 WeakPolarHBondContact O-CB 3.32Å; V250-L259 PolarHBondContact O-N 2.84Å; V250-R260 HydrophobicContact CB-CB 4.15Å; V250-R260 HydrophobicContact CG2-CB 4.19Å; V250-R260 PolarHBondContact N-O 3.02Å; V250-R260 PolarHBondContact O-N 2.77Å; V250-L262 HydrophobicContact CG2-CD1 4.08Å; V250-L262 HydrophobicContact CG2-CD2 4.27Å; V250-L262 HydrophobicContact CG2-CG 4.18Å; V250-I279 HydrophobicContact CG2-CD1 3.58Å
251	W	98.6	Very high	98.1	Very high	9 Å²	9	39 Å²	39	3%	0.034	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	152.3	-175.1	-42.8	79.6	0	0	0	111.6	L221 K222 R238 I239 S241 K249 K257 C258 L542	L221-W251 HydrophobicContact CB-CD2 4.34Å; L221-W251 HydrophobicContact CB-CE3 3.88Å; L221-W251 HydrophobicContact CB-CH2 4.42Å; L221-W251 HydrophobicContact CB-CZ3 3.92Å; L221-W251 HydrophobicContact CD1-CB 4.1Å; L221-W251 HydrophobicContact CD1-CD2 4.24Å; L221-W251 HydrophobicContact CD1-CE3 4.26Å; L221-W251 HydrophobicContact CD1-CG 4.18Å; L221-W251 HydrophobicContact CD2-CE3 3.76Å; L221-W251 HydrophobicContact CD2-CZ3 4.29Å; L221-W251 HydrophobicContact CG-CE3 4.19Å; K222-W251 VanDerWaalsContact O-CH2 3.27Å; K222-W251 WeakPolarHBondContact O-CH2 3.44Å; R238-W251 WeakPolarHBondContact CA-O 3.46Å; I239-W251 HydrophobicContact CB-CB 4.18Å; I239-W251 PolarHBondContact N-O 3.27Å; I239-W251 PolarHBondContact O-N 2.66Å; S241-W251 PolarHBondContact OG-NE1 3.38Å; K249-W251 HydrophobicContact CB-CZ2 3.52Å; K249-W251 HydrophobicContact CD-CH2 3.92Å; K249-W251 HydrophobicContact CD-CZ2 3.46Å; K249-W251 VanDerWaalsContact CD-CZ2 3.46Å; K249-W251 HydrophobicContact CG-CZ2 4.11Å; K249-W251 VanDerWaalsContact O-CD1 3.24Å; K249-W251 PolarHBondContact O-NE1 2.95Å; W251-K257 WeakPolarHBondContact CA-O 3.21Å; W251-C258 HydrophobicContact CD2-CB 4.39Å; W251-C258 HydrophobicContact CE3-CB 3.63Å; W251-C258 HydrophobicContact CH2-CB 4.18Å; W251-C258 HydrophobicContact CZ3-CB 3.51Å; W251-L542 HydrophobicContact CD2-CD1 4.46Å; W251-L542 HydrophobicContact CG-CD1 4.29Å
252	S	97.9	Very high	98.1	Very high	14 Å²	14	39 Å²	39	10%	0.098	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.4	168	174.6	0	0	0	0	110.3	I254 T255 G256 K257	S252-I254 PolarHBondContact O-N 2.87Å; S252-I254 PolarHBondContact OG-N 2.86Å; S252-T255 WeakPolarHBondContact CB-OG1 3.34Å; S252-T255 PolarHBondContact OG-N 2.92Å; S252-T255 VanDerWaalsContact OG-N 3.15Å; S252-T255 PolarHBondContact OG-OG1 2.79Å; S252-G256 WeakPolarHBondContact O-CA 3.27Å; S252-G256 PolarHBondContact O-N 3.21Å; S252-K257 PolarHBondContact N-O 2.93Å
253	A	96.7	Very high	98.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.9	174.1	0	0	0	0	0	112.7	F234 N237 I239	F234-A253 HydrophobicContact CE2-CB 3.69Å; F234-A253 HydrophobicContact CZ-CB 4.23Å; N237-A253 PolarHBondContact O-N 2.97Å; I239-A253 HydrophobicContact CD1-CB 3.78Å; I239-A253 HydrophobicContact CG1-CB 4.05Å
254	I	95.6	Very high	98.1	Very high	90 Å²	90	45.8 Å²	45.8	46%	0.462	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-56.1	178.4	-60.7	174.7	0	0	0	110.1	K219 N237 S252	K219-I254 WeakPolarHBondContact CE-O 3.39Å; K219-I254 PolarHBondContact NZ-O 3.42Å; N237-I254 HydrophobicContact CB-CD1 3.99Å; N237-I254 HydrophobicContact CB-CG1 4.18Å; S252-I254 PolarHBondContact O-N 2.87Å; S252-I254 PolarHBondContact OG-N 2.86Å
255	T	96.8	Very high	98.1	Very high	78 Å²	78	44 Å²	44	48%	0.479	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-20.9	-169.4	62.9	0	0	0	0	113.6	S252 K257	S252-T255 WeakPolarHBondContact CB-OG1 3.34Å; S252-T255 PolarHBondContact OG-N 2.92Å; S252-T255 VanDerWaalsContact OG-N 3.15Å; S252-T255 PolarHBondContact OG-OG1 2.79Å; T255-K257 VanDerWaalsContact C-N 3.29Å; T255-K257 PolarHBondContact OG1-N 3.01Å
256	G	96.4	Very high	98.1	Very high	22 Å²	22	48 Å²	48	23%	0.227	27%	0.271	C	S	.	.			trans	73.3	19.3	-171.5	0	0	0	0	0	113.6	L221 S252	L221-G256 WeakPolarHBondContact CD2-O 3.49Å; S252-G256 WeakPolarHBondContact O-CA 3.27Å; S252-G256 PolarHBondContact O-N 3.21Å
257	K	97.9	Very high	98.1	Very high	145 Å²	145	45.6 Å²	45.6	63%	0.63	26%	0.26	S	S	*	.			trans	-92.9	141.5	176.8	-66.7	-175.2	176.5	-175.7	0	111.4	W251 S252 T255 L259	W251-K257 WeakPolarHBondContact CA-O 3.21Å; S252-K257 PolarHBondContact N-O 2.93Å; T255-K257 VanDerWaalsContact C-N 3.29Å; T255-K257 PolarHBondContact OG1-N 3.01Å; K257-L259 PolarHBondContact O-N 2.87Å
258	C	98.4	Very high	98.1	Very high	56 Å²	56	45 Å²	45	38%	0.378	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	116.2	162.8	-168.4	0	0	0	0	107.9	W251	W251-C258 HydrophobicContact CD2-CB 4.39Å; W251-C258 HydrophobicContact CE3-CB 3.63Å; W251-C258 HydrophobicContact CH2-CB 4.18Å; W251-C258 HydrophobicContact CZ3-CB 3.51Å
259	L	98.1	Very high	98.1	Very high	56 Å²	56	45 Å²	45	29%	0.293	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-45.4	179.2	-59.4	178.5	0	0	0	110.5	V250 K257	V250-L259 HydrophobicContact CG1-CD1 4.46Å; V250-L259 WeakPolarHBondContact O-CA 3.39Å; V250-L259 WeakPolarHBondContact O-CB 3.32Å; V250-L259 PolarHBondContact O-N 2.84Å; K257-L259 PolarHBondContact O-N 2.87Å
260	R	98.3	Very high	98.1	Very high	92 Å²	92	47 Å²	47	35%	0.347	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149	-177.2	-58.5	-66.2	177.9	-97.2	-1.9	110.6	K249 V250 L262 E294 T295	K249-R260 WeakPolarHBondContact CA-O 3.38Å; V250-R260 HydrophobicContact CB-CB 4.15Å; V250-R260 HydrophobicContact CG2-CB 4.19Å; V250-R260 PolarHBondContact N-O 3.02Å; V250-R260 PolarHBondContact O-N 2.77Å; R260-L262 HydrophobicContact CB-CD2 4.08Å; R260-E294 PolarHBondContact NE-O 2.88Å; R260-E294 PolarHBondContact NH2-O 2.88Å; R260-E294 IonicContact NH2-OE1 3.83Å; R260-T295 PolarHBondContact NE-O 2.91Å
261	T	98.6	Very high	98.1	Very high	59 Å²	59	47.4 Å²	47.4	36%	0.362	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.7	161.3	-59.6	0	0	0	0	107.4	T247 L248 K249 V263	T247-T261 HydrophobicContact CG2-CG2 4.26Å; L248-T261 CarbonylContact O-C 3.53Å; L248-T261 WeakPolarHBondContact O-CA 3.32Å; K249-T261 HydrophobicContact CG-CG2 4.1Å; K249-T261 PolarHBondContact NZ-OG1 2.63Å; T261-V263 HydrophobicContact CG2-CG2 3.84Å; T261-V263 PolarHBondContact O-N 3.02Å
262	L	98.7	Very high	98.1	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	101.1	-179.2	-49.2	-174.5	0	0	0	108.1	L248 V250 R260 I279 W291 G296	L248-L262 HydrophobicContact CB-CB 4.14Å; L248-L262 HydrophobicContact CB-CD1 4.1Å; L248-L262 HydrophobicContact CB-CG 4.31Å; L248-L262 PolarHBondContact N-O 3.36Å; L248-L262 PolarHBondContact O-N 2.8Å; V250-L262 HydrophobicContact CG2-CD1 4.08Å; V250-L262 HydrophobicContact CG2-CD2 4.27Å; V250-L262 HydrophobicContact CG2-CG 4.18Å; R260-L262 HydrophobicContact CB-CD2 4.08Å; L262-I279 HydrophobicContact CD1-CD1 3.93Å; L262-I279 HydrophobicContact CD1-CG2 4.37Å; L262-W291 HydrophobicContact CB-CD2 4.05Å; L262-W291 HydrophobicContact CB-CE3 3.78Å; L262-W291 HydrophobicContact CB-CH2 4.16Å; L262-W291 HydrophobicContact CB-CZ2 4.39Å; L262-W291 HydrophobicContact CB-CZ3 3.84Å; L262-W291 HydrophobicContact CD1-CB 3.93Å; L262-W291 HydrophobicContact CD1-CD2 3.96Å; L262-W291 HydrophobicContact CD1-CE3 4.31Å; L262-W291 HydrophobicContact CD1-CG 3.8Å; L262-W291 HydrophobicContact CD2-CE3 4.27Å; L262-W291 HydrophobicContact CG-CD2 4.46Å; L262-W291 HydrophobicContact CG-CE3 4.34Å; L262-G296 VanDerWaalsContact CD2-CA 3.48Å; L262-G296 WeakPolarHBondContact CD2-O 3.33Å
263	V	98.6	Very high	98.1	Very high	106 Å²	106	48.5 Å²	48.5	64%	0.642	27%	0.272	S	S	*	.			trans	-105.5	134.2	179.6	-176.8	0	0	0	0	108.7	T247 T261	T247-V263 HydrophobicContact CG2-CG2 4.23Å; T261-V263 HydrophobicContact CG2-CG2 3.84Å; T261-V263 PolarHBondContact O-N 3.02Å
264	G	98.2	Very high	98.1	Very high	35 Å²	35	49.4 Å²	49.4	36%	0.361	28%	0.276	S	S	.	.			trans	159.8	-19.1	175.3	0	0	0	0	0	114.7	K289	G264-K289 WeakPolarHBondContact O-CE 3.43Å
265	H	98.7	Very high	98	Very high	12 Å²	12	49 Å²	49	6%	0.056	27%	0.269	C	S	.	.			trans	-71	147.1	166	-81.6	-62	0	0	0	110.6	S281 S283 D285 T287	H265-S281 PolarHBondContact CD2-OG 2.85Å; H265-S281 PolarHBondContact NE2-OG 2.9Å; H265-S283 WeakPolarHBondContact ND1-CB 3.4Å; H265-D285 VanDerWaalsContact CA-OD2 3.23Å; H265-D285 WeakPolarHBondContact CA-OD2 3.46Å; H265-D285 WeakPolarHBondContact CB-OD2 3.45Å; H265-D285 IonicContact CE1-OD1 3.24Å; H265-D285 IonicContact CE1-OD2 2.79Å; H265-D285 IonicContact CG-OD2 3.35Å; H265-D285 IonicContact ND1-OD1 2.74Å; H265-D285 PolarHBondContact ND1-OD1 3.01Å; H265-D285 IonicContact ND1-OD2 3.47Å; H265-D285 PolarHBondContact ND1-OD2 2.87Å; H265-T287 PolarHBondContact CE1-OG1 2.78Å; H265-T287 PolarHBondContact ND1-OG1 2.82Å
266	T	98.6	Very high	97.6	Very high	119 Å²	119	51 Å²	51	73%	0.73	28%	0.277	S	S	*	.	S	Bend	trans	-105.2	7.8	178.1	57.4	0	0	0	0	112.6	D285	T266-D285 PolarHBondContact N-OD2 3.05Å; T266-D285 VanDerWaalsContact OG1-CB 3.24Å; T266-D285 WeakPolarHBondContact OG1-CB 3.38Å
267	G	98.6	Very high	97.5	Very high	8 Å²	8	52.3 Å²	52.3	8%	0.082	28%	0.278	C	S	.	.	S	Bend	trans	-152.2	166.2	176.8	0	0	0	0	0	111.1	N246 S283 T284	N246-G267 VanDerWaalsContact OD1-CA 3.23Å; N246-G267 WeakPolarHBondContact OD1-CA 3.42Å; N246-G267 PolarHBondContact OD1-O 3.27Å; G267-S283 PolarHBondContact O-OG 3.45Å; G267-T284 VanDerWaalsContact CA-OG1 3.28Å; G267-T284 WeakPolarHBondContact CA-OG1 3.49Å
268	G	98.7	Very high	97.4	Very high	6 Å²	6	47.3 Å²	47.3	6%	0.062	26%	0.258	C	S	.	.			trans	-58.1	138.9	-173.3	0	0	0	0	0	112.3	N246 W270 S283 T284	N246-G268 WeakPolarHBondContact OD1-CA 3.22Å; N246-G268 PolarHBondContact OD1-N 3.38Å; G268-W270 VanDerWaalsContact O-CD1 3.23Å; G268-S283 CarbonylContact O-C 3.59Å; G268-S283 VanDerWaalsContact O-CA 3.26Å; G268-S283 WeakPolarHBondContact O-CA 3.19Å; G268-S283 PolarHBondContact O-OG 3.49Å; G268-T284 PolarHBondContact N-OG1 3.13Å; G268-T284 PolarHBondContact O-N 2.86Å
269	V	98.9	Very high	97.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	134.6	176	-177.3	0	0	0	0	108.1	T230 S243 L248	T230-V269 WeakPolarHBondContact CB-O 3.39Å; T230-V269 WeakPolarHBondContact CG2-O 3.37Å; T230-V269 PolarHBondContact OG1-O 2.91Å; S243-V269 WeakPolarHBondContact O-CB 3.23Å; S243-V269 PolarHBondContact O-N 2.89Å; L248-V269 HydrophobicContact CD1-CB 4.5Å; L248-V269 HydrophobicContact CD1-CG1 4.12Å; L248-V269 HydrophobicContact CD1-CG2 3.7Å; L248-V269 HydrophobicContact CD2-CG1 4.18Å; L248-V269 HydrophobicContact CG-CG1 4.11Å; L248-V269 HydrophobicContact CG-CG2 4.21Å
270	W	98.7	Very high	97.5	Very high	77 Å²	77	42 Å²	42	29%	0.292	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	-12.9	-176.7	-77.6	91.6	0	0	0	114.8	T230 G268 G282 T284	T230-W270 HydrophobicContact CG2-CD2 4.14Å; T230-W270 HydrophobicContact CG2-CE3 3.91Å; T230-W270 HydrophobicContact CG2-CH2 4.27Å; T230-W270 HydrophobicContact CG2-CZ2 4.47Å; T230-W270 HydrophobicContact CG2-CZ3 3.98Å; G268-W270 VanDerWaalsContact O-CD1 3.23Å; W270-G282 PolarHBondContact N-O 2.87Å; W270-T284 VanDerWaalsContact NE1-CG2 3.26Å
271	S	98.3	Very high	97.5	Very high	10 Å²	10	37.6 Å²	37.6	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	146.9	178	56.4	0	0	0	0	110	S281 G282 V309 M312	S271-S281 WeakPolarHBondContact O-CA 3.05Å; S271-G282 PolarHBondContact N-O 3.14Å; S271-G282 PolarHBondContact O-N 3.27Å; S271-V309 PolarHBondContact OG-O 3.5Å; S271-M312 VanDerWaalsContact OG-CE 3.28Å; S271-M312 WeakPolarHBondContact OG-CE 3.27Å
272	S	98.6	Very high	97.5	Very high	5 Å²	5	34.8 Å²	34.8	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	155.8	174.6	66.1	0	0	0	0	111.7	C231 Q233 I280	C231-S272 PolarHBondContact SG-OG 3.14Å; Q233-S272 PolarHBondContact NE2-O 3.04Å; S272-I280 CarbonylContact C-O 3.58Å; S272-I280 WeakPolarHBondContact CA-O 3.4Å; S272-I280 VanDerWaalsContact CB-O 3.29Å; S272-I280 WeakPolarHBondContact CB-O 3.44Å
273	Q	98.5	Very high	97.5	Very high	40 Å²	40	34.7 Å²	34.7	19%	0.187	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.8	169.7	-69.3	-68.1	-12.6	0	0	109.3	I280 M312 L314	Q273-I280 PolarHBondContact N-O 2.74Å; Q273-I280 PolarHBondContact O-N 3.24Å; Q273-M312 HydrophobicContact CB-SD 4.34Å; Q273-M312 HydrophobicContact CG-CG 3.8Å; Q273-M312 HydrophobicContact CG-SD 4.02Å; Q273-M312 PolarHBondContact NE2-O 3.48Å; Q273-L314 HydrophobicContact CB-CB 3.74Å; Q273-L314 HydrophobicContact CB-CD2 4.24Å; Q273-L314 HydrophobicContact CG-CB 3.93Å
274	M	96.4	Very high	97.6	Very high	20 Å²	20	32.1 Å²	32.1	10%	0.099	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	134.4	177.9	-179.3	169	64.8	0	0	110.3	Q233 C235 R238 V240 I278 I279	Q233-M274 HydrophobicContact CB-CB 3.98Å; Q233-M274 HydrophobicContact CB-CE 4.04Å; Q233-M274 HydrophobicContact CG-CB 4.26Å; C235-M274 HydrophobicContact CB-CE 3.3Å; C235-M274 HydrophobicContact CB-CG 4.44Å; C235-M274 HydrophobicContact CB-SD 4.41Å; C235-M274 VanDerWaalsContact N-CE 3.26Å; R238-M274 WeakPolarHBondContact O-CE 2.98Å; V240-M274 HydrophobicContact CB-SD 4.49Å; V240-M274 HydrophobicContact CG2-CE 4.1Å; V240-M274 HydrophobicContact CG2-SD 3.4Å; V240-M274 WeakPolarHBondContact CG2-SD 3.34Å; M274-I278 WeakPolarHBondContact CA-O 3.38Å; M274-I279 HydrophobicContact CB-CG1 4.47Å; M274-I279 HydrophobicContact CG-CG1 4.09Å; M274-I279 HydrophobicContact SD-CG1 4.1Å
275	R	93.3	Very high	97.6	Very high	81 Å²	81	31.8 Å²	31.8	31%	0.306	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	122.8	168.3	-179.8	-177	64.7	154.9	-0.9	107.9	N277 I278 L314 E316	R275-N277 PolarHBondContact O-N 2.67Å; R275-I278 PolarHBondContact N-O 2.8Å; R275-I278 PolarHBondContact O-N 2.6Å; R275-L314 HydrophobicContact CB-CD2 3.73Å; R275-E316 PolarHBondContact NE-O 3.13Å; R275-E316 VanDerWaalsContact NH1-C 3.3Å; R275-E316 PolarHBondContact NH1-O 3.48Å; R275-E316 VanDerWaalsContact NH1-O 3.13Å; R275-E316 PolarHBondContact NH2-O 3Å
276	D	88.8	Confident	97.6	Very high	121 Å²	121	38 Å²	38	65%	0.647	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	-107.1	-178	-54.1	-45.7	0	0	0	112.3
277	N	93.9	Very high	97.6	Very high	49 Å²	49	32.8 Å²	32.8	26%	0.262	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	5.1	-178.3	-161.1	44.3	0	0	0	113.5	R275 N292 A293 E294	R275-N277 PolarHBondContact O-N 2.67Å; N277-N292 PolarHBondContact ND2-OD1 2.91Å; N277-A293 WeakPolarHBondContact O-CB 3.33Å; N277-A293 PolarHBondContact O-N 2.97Å; N277-A293 WeakPolarHBondContact OD1-CB 3.48Å; N277-E294 WeakPolarHBondContact OD1-CB 3.41Å; N277-E294 PolarHBondContact OD1-N 2.9Å
278	I	97.6	Very high	97.6	Very high	40 Å²	40	32.4 Å²	32.4	21%	0.205	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.5	178.4	-59.4	-61.1	0	0	0	109.7	M274 R275 I280 V290 W291 I299 I333	M274-I278 WeakPolarHBondContact CA-O 3.38Å; R275-I278 PolarHBondContact N-O 2.8Å; R275-I278 PolarHBondContact O-N 2.6Å; I278-I280 HydrophobicContact CG2-CG1 4.36Å; I278-V290 HydrophobicContact CG2-CG1 3.68Å; I278-W291 WeakPolarHBondContact CA-O 3.32Å; I278-I299 HydrophobicContact CD1-CD1 3.79Å; I278-I333 HydrophobicContact CG2-CD1 4.39Å
279	I	98.6	Very high	97.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.9	172.7	-63.4	162.3	0	0	0	108	V240 L248 V250 L262 M274 V290 W291 A293	V240-I279 HydrophobicContact CG1-CD1 4.22Å; V240-I279 HydrophobicContact CG1-CG2 4.19Å; V240-I279 HydrophobicContact CG2-CD1 3.5Å; V240-I279 VanDerWaalsContact CG2-CD1 3.5Å; V240-I279 HydrophobicContact CG2-CG1 3.99Å; L248-I279 HydrophobicContact CD2-CG2 4.25Å; V250-I279 HydrophobicContact CG2-CD1 3.58Å; L262-I279 HydrophobicContact CD1-CD1 3.93Å; L262-I279 HydrophobicContact CD1-CG2 4.37Å; M274-I279 HydrophobicContact CB-CG1 4.47Å; M274-I279 HydrophobicContact CG-CG1 4.09Å; M274-I279 HydrophobicContact SD-CG1 4.1Å; I279-V290 CarbonylContact O-C 3.54Å; I279-V290 WeakPolarHBondContact O-CA 3.42Å; I279-W291 HydrophobicContact CB-CB 4.26Å; I279-W291 PolarHBondContact N-O 2.81Å; I279-W291 PolarHBondContact O-N 2.81Å; I279-A293 HydrophobicContact CD1-CB 3.48Å; I279-A293 VanDerWaalsContact CD1-CB 3.48Å; I279-A293 HydrophobicContact CG1-CB 3.96Å
280	I	98.8	Very high	97.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.1	172.9	-49.1	170.4	0	0	0	107.4	S272 Q273 I278 L288 K289 M312 L314 V319 I333	S272-I280 CarbonylContact C-O 3.58Å; S272-I280 WeakPolarHBondContact CA-O 3.4Å; S272-I280 VanDerWaalsContact CB-O 3.29Å; S272-I280 WeakPolarHBondContact CB-O 3.44Å; Q273-I280 PolarHBondContact N-O 2.74Å; Q273-I280 PolarHBondContact O-N 3.24Å; I278-I280 HydrophobicContact CG2-CG1 4.36Å; I280-L288 HydrophobicContact CG2-CD2 4.1Å; I280-K289 CarbonylContact C-O 3.54Å; I280-K289 VanDerWaalsContact CA-O 3.32Å; I280-K289 WeakPolarHBondContact CA-O 3.32Å; I280-M312 HydrophobicContact CB-SD 4.11Å; I280-M312 HydrophobicContact CG2-CE 4.29Å; I280-M312 HydrophobicContact CG2-SD 3.81Å; I280-L314 HydrophobicContact CD1-CB 4.49Å; I280-L314 HydrophobicContact CD1-CD1 3.82Å; I280-L314 HydrophobicContact CD1-CD2 4.07Å; I280-L314 HydrophobicContact CD1-CG 4.35Å; I280-V319 HydrophobicContact CD1-CB 3.78Å; I280-V319 HydrophobicContact CD1-CG1 4.03Å; I280-V319 HydrophobicContact CD1-CG2 4.05Å; I280-V319 HydrophobicContact CG2-CG1 4.44Å; I280-V319 HydrophobicContact CG2-CG2 4.38Å; I280-I333 HydrophobicContact CD1-CG2 3.61Å
281	S	98.9	Very high	97.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.6	177.9	57.5	0	0	0	0	111.2	H265 S271 L288 K289 W291 M312	H265-S281 PolarHBondContact CD2-OG 2.85Å; H265-S281 PolarHBondContact NE2-OG 2.9Å; S271-S281 WeakPolarHBondContact O-CA 3.05Å; S281-L288 CarbonylContact O-C 3.58Å; S281-L288 WeakPolarHBondContact O-CA 3.41Å; S281-L288 WeakPolarHBondContact O-CB 3.37Å; S281-K289 PolarHBondContact N-O 3.33Å; S281-K289 PolarHBondContact O-N 3.31Å; S281-W291 PolarHBondContact OG-NE1 2.93Å; S281-M312 VanDerWaalsContact C-CE 3.42Å
282	G	98.9	Very high	97.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.2	176.6	0	0	0	0	0	110.1	W270 S271 M312	W270-G282 PolarHBondContact N-O 2.87Å; S271-G282 PolarHBondContact N-O 3.14Å; S271-G282 PolarHBondContact O-N 3.27Å; G282-M312 VanDerWaalsContact CA-CE 3.5Å
283	S	98.9	Very high	97.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	165.3	-166.8	168.9	0	0	0	0	113.6	H265 G267 G268 D285 R286 T287 V309	H265-S283 WeakPolarHBondContact ND1-CB 3.4Å; G267-S283 PolarHBondContact O-OG 3.45Å; G268-S283 CarbonylContact O-C 3.59Å; G268-S283 VanDerWaalsContact O-CA 3.26Å; G268-S283 WeakPolarHBondContact O-CA 3.19Å; G268-S283 PolarHBondContact O-OG 3.49Å; S283-D285 VanDerWaalsContact CB-OD1 3.31Å; S283-D285 WeakPolarHBondContact CB-OD1 3.38Å; S283-D285 PolarHBondContact O-N 3.41Å; S283-D285 VanDerWaalsContact OG-CG 3.25Å; S283-D285 PolarHBondContact OG-N 2.9Å; S283-D285 PolarHBondContact OG-OD1 2.89Å; S283-R286 PolarHBondContact O-N 2.84Å; S283-T287 PolarHBondContact N-O 3.25Å; S283-V309 PolarHBondContact O-N 2.69Å
284	T	98.9	Very high	97.4	Very high	51 Å²	51	32.7 Å²	32.7	31%	0.313	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.1	165.7	61.7	0	0	0	0	113.4	G267 G268 W270 R286 T308	G267-T284 VanDerWaalsContact CA-OG1 3.28Å; G267-T284 WeakPolarHBondContact CA-OG1 3.49Å; G268-T284 PolarHBondContact N-OG1 3.13Å; G268-T284 PolarHBondContact O-N 2.86Å; W270-T284 VanDerWaalsContact NE1-CG2 3.26Å; T284-R286 PolarHBondContact O-N 2.87Å; T284-R286 VanDerWaalsContact O-N 3.14Å; T284-T308 HydrophobicContact CG2-CG2 3.83Å
285	D	98.8	Very high	97.5	Very high	28 Å²	28	34.8 Å²	34.8	15%	0.15	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	3.2	172.7	73.4	14.9	0	0	0	114.2	H265 T266 S283 T287	H265-D285 VanDerWaalsContact CA-OD2 3.23Å; H265-D285 WeakPolarHBondContact CA-OD2 3.46Å; H265-D285 WeakPolarHBondContact CB-OD2 3.45Å; H265-D285 IonicContact CE1-OD1 3.24Å; H265-D285 IonicContact CE1-OD2 2.79Å; H265-D285 IonicContact CG-OD2 3.35Å; H265-D285 IonicContact ND1-OD1 2.74Å; H265-D285 PolarHBondContact ND1-OD1 3.01Å; H265-D285 IonicContact ND1-OD2 3.47Å; H265-D285 PolarHBondContact ND1-OD2 2.87Å; T266-D285 PolarHBondContact N-OD2 3.05Å; T266-D285 VanDerWaalsContact OG1-CB 3.24Å; T266-D285 WeakPolarHBondContact OG1-CB 3.38Å; S283-D285 VanDerWaalsContact CB-OD1 3.31Å; S283-D285 WeakPolarHBondContact CB-OD1 3.38Å; S283-D285 PolarHBondContact O-N 3.41Å; S283-D285 VanDerWaalsContact OG-CG 3.25Å; S283-D285 PolarHBondContact OG-N 2.9Å; S283-D285 PolarHBondContact OG-OD1 2.89Å; D285-T287 PolarHBondContact O-N 2.92Å; D285-T287 WeakPolarHBondContact OD1-CB 3.27Å; D285-T287 PolarHBondContact OD1-N 3.32Å; D285-T287 PolarHBondContact OD1-OG1 2.92Å
286	R	98.8	Very high	97.7	Very high	142 Å²	142	31.8 Å²	31.8	54%	0.536	16%	0.164	S	C	.	.	S	Bend	trans	74.1	6.1	173.8	-41.6	161.6	-179	174.7	-0.4	113.7	S283 T284 H305 T306 S307	S283-R286 PolarHBondContact O-N 2.84Å; T284-R286 PolarHBondContact O-N 2.87Å; T284-R286 VanDerWaalsContact O-N 3.14Å; R286-H305 WeakPolarHBondContact CB-O 3.31Å; R286-H305 WeakPolarHBondContact O-CB 3.43Å; R286-T306 VanDerWaalsContact CD-O 3.28Å; R286-T306 WeakPolarHBondContact CD-O 3.13Å; R286-T306 PolarHBondContact NE-O 2.86Å; R286-S307 WeakPolarHBondContact CA-O 3.15Å; R286-S307 WeakPolarHBondContact CB-O 3.44Å
287	T	98.9	Very high	98.1	Very high	11 Å²	11	32.1 Å²	32.1	7%	0.067	16%	0.162	C	C	.	.			trans	-104.7	156.4	175.9	71	0	0	0	0	111.4	H265 S283 D285 T301 L302 Y303	H265-T287 PolarHBondContact CE1-OG1 2.78Å; H265-T287 PolarHBondContact ND1-OG1 2.82Å; S283-T287 PolarHBondContact N-O 3.25Å; D285-T287 PolarHBondContact O-N 2.92Å; D285-T287 WeakPolarHBondContact OD1-CB 3.27Å; D285-T287 PolarHBondContact OD1-N 3.32Å; D285-T287 PolarHBondContact OD1-OG1 2.92Å; T287-T301 HydrophobicContact CG2-CG2 4Å; T287-L302 WeakPolarHBondContact CA-O 3.27Å; T287-Y303 HydrophobicContact CG2-CD1 3.76Å; T287-Y303 HydrophobicContact CG2-CE1 3.65Å
288	L	98.9	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	152	153.5	-65.5	85.6	0	0	0	109.2	I280 S281 L302 V309 M312 W331	I280-L288 HydrophobicContact CG2-CD2 4.1Å; S281-L288 CarbonylContact O-C 3.58Å; S281-L288 WeakPolarHBondContact O-CA 3.41Å; S281-L288 WeakPolarHBondContact O-CB 3.37Å; L288-L302 HydrophobicContact CB-CB 4.02Å; L288-L302 HydrophobicContact CB-CD1 3.94Å; L288-L302 HydrophobicContact CB-CG 4.17Å; L288-L302 PolarHBondContact N-O 2.91Å; L288-L302 VanDerWaalsContact N-O 3.16Å; L288-L302 PolarHBondContact O-N 2.94Å; L288-V309 HydrophobicContact CD1-CB 4.38Å; L288-V309 HydrophobicContact CD1-CG1 3.85Å; L288-V309 HydrophobicContact CD1-CG2 3.68Å; L288-V309 HydrophobicContact CD2-CG1 4.29Å; L288-V309 HydrophobicContact CG-CG1 3.93Å; L288-V309 HydrophobicContact CG-CG2 4.25Å; L288-M312 HydrophobicContact CD2-CE 3.58Å; L288-M312 HydrophobicContact CD2-SD 4.39Å; L288-M312 HydrophobicContact CG-CE 4.18Å; L288-W331 HydrophobicContact CD1-CZ2 4.11Å
289	K	98.9	Very high	98.4	Very high	20 Å²	20	34 Å²	34	9%	0.087	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.4	170.3	-73.1	176.5	-177.8	-79.4	0	110.5	G264 I280 S281 W291 H300 T301	G264-K289 WeakPolarHBondContact O-CE 3.43Å; I280-K289 CarbonylContact C-O 3.54Å; I280-K289 VanDerWaalsContact CA-O 3.32Å; I280-K289 WeakPolarHBondContact CA-O 3.32Å; S281-K289 PolarHBondContact N-O 3.33Å; S281-K289 PolarHBondContact O-N 3.31Å; K289-W291 HydrophobicContact CB-CD2 4.44Å; K289-W291 VanDerWaalsContact CB-CE2 3.5Å; K289-W291 HydrophobicContact CB-CZ2 3.6Å; K289-W291 VanDerWaalsContact CB-NE1 3.31Å; K289-W291 HydrophobicContact CD-CH2 3.83Å; K289-W291 HydrophobicContact CD-CZ2 3.41Å; K289-W291 VanDerWaalsContact CD-CZ2 3.41Å; K289-W291 HydrophobicContact CG-CZ2 4.13Å; K289-W291 PolarHBondContact O-NE1 2.94Å; K289-H300 WeakPolarHBondContact CA-O 3.34Å; K289-T301 HydrophobicContact CG-CG2 4.14Å; K289-T301 PolarHBondContact NZ-OG1 2.94Å
290	V	98.8	Very high	98.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.4	172.9	-173.3	0	0	0	0	107.6	I278 I279 C298 I299 H300 L302	I278-V290 HydrophobicContact CG2-CG1 3.68Å; I279-V290 CarbonylContact O-C 3.54Å; I279-V290 WeakPolarHBondContact O-CA 3.42Å; V290-C298 CarbonylContact O-C 3.48Å; V290-I299 HydrophobicContact CG1-CD1 4.43Å; V290-I299 PolarHBondContact O-N 3.39Å; V290-H300 HydrophobicContact CB-CB 4.05Å; V290-H300 HydrophobicContact CG2-CB 4.09Å; V290-H300 PolarHBondContact N-O 2.78Å; V290-H300 PolarHBondContact O-N 2.99Å; V290-L302 HydrophobicContact CG2-CD1 4.08Å; V290-L302 HydrophobicContact CG2-CD2 4.48Å; V290-L302 HydrophobicContact CG2-CG 4.38Å
291	W	98.8	Very high	98.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.5	-172.8	-46	79.8	0	0	0	111.5	L262 I278 I279 S281 K289 E297 C298	L262-W291 HydrophobicContact CB-CD2 4.05Å; L262-W291 HydrophobicContact CB-CE3 3.78Å; L262-W291 HydrophobicContact CB-CH2 4.16Å; L262-W291 HydrophobicContact CB-CZ2 4.39Å; L262-W291 HydrophobicContact CB-CZ3 3.84Å; L262-W291 HydrophobicContact CD1-CB 3.93Å; L262-W291 HydrophobicContact CD1-CD2 3.96Å; L262-W291 HydrophobicContact CD1-CE3 4.31Å; L262-W291 HydrophobicContact CD1-CG 3.8Å; L262-W291 HydrophobicContact CD2-CE3 4.27Å; L262-W291 HydrophobicContact CG-CD2 4.46Å; L262-W291 HydrophobicContact CG-CE3 4.34Å; I278-W291 WeakPolarHBondContact CA-O 3.32Å; I279-W291 HydrophobicContact CB-CB 4.26Å; I279-W291 PolarHBondContact N-O 2.81Å; I279-W291 PolarHBondContact O-N 2.81Å; S281-W291 PolarHBondContact OG-NE1 2.93Å; K289-W291 HydrophobicContact CB-CD2 4.44Å; K289-W291 VanDerWaalsContact CB-CE2 3.5Å; K289-W291 HydrophobicContact CB-CZ2 3.6Å; K289-W291 VanDerWaalsContact CB-NE1 3.31Å; K289-W291 HydrophobicContact CD-CH2 3.83Å; K289-W291 HydrophobicContact CD-CZ2 3.41Å; K289-W291 VanDerWaalsContact CD-CZ2 3.41Å; K289-W291 HydrophobicContact CG-CZ2 4.13Å; K289-W291 PolarHBondContact O-NE1 2.94Å; W291-E297 VanDerWaalsContact CA-O 3.27Å; W291-E297 WeakPolarHBondContact CA-O 3.32Å; W291-C298 HydrophobicContact CD2-CB 4.32Å; W291-C298 HydrophobicContact CE3-CB 3.69Å; W291-C298 HydrophobicContact CH2-CB 4.23Å; W291-C298 HydrophobicContact CZ3-CB 3.64Å
292	N	98.2	Very high	98.4	Very high	36 Å²	36	38.2 Å²	38.2	19%	0.193	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118.4	164.9	-173.6	-50.5	0	0	0	109.2	N277 E294 T295 G296 E297 I299	N277-N292 PolarHBondContact ND2-OD1 2.91Å; N292-E294 VanDerWaalsContact C-N 3.26Å; N292-E294 PolarHBondContact O-N 2.76Å; N292-E294 WeakPolarHBondContact OD1-CA 3.07Å; N292-E294 WeakPolarHBondContact OD1-CB 3.29Å; N292-E294 PolarHBondContact OD1-N 3.15Å; N292-T295 WeakPolarHBondContact CB-OG1 3.25Å; N292-T295 PolarHBondContact OD1-N 3.39Å; N292-G296 WeakPolarHBondContact O-CA 3.3Å; N292-G296 PolarHBondContact O-N 2.77Å; N292-E297 PolarHBondContact N-O 2.88Å; N292-I299 HydrophobicContact CB-CD1 4.07Å; N292-I299 HydrophobicContact CB-CG1 4.28Å
293	A	96.8	Very high	98.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.8	-177	0	0	0	0	0	113.8	N277 I279	N277-A293 WeakPolarHBondContact O-CB 3.33Å; N277-A293 PolarHBondContact O-N 2.97Å; N277-A293 WeakPolarHBondContact OD1-CB 3.48Å; I279-A293 HydrophobicContact CD1-CB 3.48Å; I279-A293 VanDerWaalsContact CD1-CB 3.48Å; I279-A293 HydrophobicContact CG1-CB 3.96Å
294	E	96	Very high	98.3	Very high	85 Å²	85	47.4 Å²	47.4	40%	0.397	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-47.2	178.3	-173.7	58.5	-143.7	0	0	111.2	R238 R260 N277 N292	R238-E294 IonicContact CZ-OE2 2.78Å; R238-E294 IonicContact NH1-OE2 3.29Å; R238-E294 PolarHBondContact NH1-OE2 3.49Å; R238-E294 IonicContact NH2-OE2 3.45Å; R238-E294 PolarHBondContact NH2-OE2 2.94Å; R260-E294 PolarHBondContact NE-O 2.88Å; R260-E294 PolarHBondContact NH2-O 2.88Å; R260-E294 IonicContact NH2-OE1 3.83Å; N277-E294 WeakPolarHBondContact OD1-CB 3.41Å; N277-E294 PolarHBondContact OD1-N 2.9Å; N292-E294 VanDerWaalsContact C-N 3.26Å; N292-E294 PolarHBondContact O-N 2.76Å; N292-E294 WeakPolarHBondContact OD1-CA 3.07Å; N292-E294 WeakPolarHBondContact OD1-CB 3.29Å; N292-E294 PolarHBondContact OD1-N 3.15Å
295	T	97.6	Very high	98.3	Very high	64 Å²	64	45.4 Å²	45.4	39%	0.393	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-31.1	179.4	68.9	0	0	0	0	111.9	R260 N292 E297	R260-T295 PolarHBondContact NE-O 2.91Å; N292-T295 WeakPolarHBondContact CB-OG1 3.25Å; N292-T295 PolarHBondContact OD1-N 3.39Å; T295-E297 VanDerWaalsContact C-N 3.31Å; T295-E297 WeakPolarHBondContact OG1-CB 3.45Å; T295-E297 WeakPolarHBondContact OG1-CG 3.4Å; T295-E297 PolarHBondContact OG1-N 2.79Å; T295-E297 PolarHBondContact OG1-OE2 2.88Å
296	G	97.8	Very high	98.3	Very high	18 Å²	18	48.9 Å²	48.9	19%	0.186	25%	0.251	C	S	.	.			trans	84.7	4.3	-172.9	0	0	0	0	0	113.8	L262 N292	L262-G296 VanDerWaalsContact CD2-CA 3.48Å; L262-G296 WeakPolarHBondContact CD2-O 3.33Å; N292-G296 WeakPolarHBondContact O-CA 3.3Å; N292-G296 PolarHBondContact O-N 2.77Å
297	E	98.3	Very high	98.3	Very high	128 Å²	128	43.9 Å²	43.9	60%	0.598	24%	0.237	S	C	*	.			trans	-78.3	143.8	-177.7	-66.3	166.5	151	0	0	111.8	W291 N292 T295 I299	W291-E297 VanDerWaalsContact CA-O 3.27Å; W291-E297 WeakPolarHBondContact CA-O 3.32Å; N292-E297 PolarHBondContact N-O 2.88Å; T295-E297 VanDerWaalsContact C-N 3.31Å; T295-E297 WeakPolarHBondContact OG1-CB 3.45Å; T295-E297 WeakPolarHBondContact OG1-CG 3.4Å; T295-E297 PolarHBondContact OG1-N 2.79Å; T295-E297 PolarHBondContact OG1-OE2 2.88Å; E297-I299 PolarHBondContact O-N 3.38Å
298	C	98.5	Very high	98.3	Very high	50 Å²	50	44 Å²	44	34%	0.338	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	111	168.1	-175.5	0	0	0	0	108.4	V290 W291 H300	V290-C298 CarbonylContact O-C 3.48Å; W291-C298 HydrophobicContact CD2-CB 4.32Å; W291-C298 HydrophobicContact CE3-CB 3.69Å; W291-C298 HydrophobicContact CH2-CB 4.23Å; W291-C298 HydrophobicContact CZ3-CB 3.64Å; C298-H300 PolarHBondContact SG-O 3.5Å
299	I	98.4	Very high	98.3	Very high	78 Å²	78	44 Å²	44	40%	0.4	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-48.3	179	-53.5	171.8	0	0	0	109.4	I278 V290 N292 E297	I278-I299 HydrophobicContact CD1-CD1 3.79Å; V290-I299 HydrophobicContact CG1-CD1 4.43Å; V290-I299 PolarHBondContact O-N 3.39Å; N292-I299 HydrophobicContact CB-CD1 4.07Å; N292-I299 HydrophobicContact CB-CG1 4.28Å; E297-I299 PolarHBondContact O-N 3.38Å
300	H	98.6	Very high	98.3	Very high	45 Å²	45	44.6 Å²	44.6	21%	0.208	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.4	-176.9	-63	-60.2	0	0	0	111.5	K289 V290 C298 L302 I333 E334	K289-H300 WeakPolarHBondContact CA-O 3.34Å; V290-H300 HydrophobicContact CB-CB 4.05Å; V290-H300 HydrophobicContact CG2-CB 4.09Å; V290-H300 PolarHBondContact N-O 2.78Å; V290-H300 PolarHBondContact O-N 2.99Å; C298-H300 PolarHBondContact SG-O 3.5Å; H300-L302 HydrophobicContact CB-CD2 3.79Å; H300-I333 PolarHBondContact CD2-O 3.15Å; H300-E334 PolarHBondContact NE2-O 3.39Å
301	T	98.8	Very high	98.3	Very high	43 Å²	43	45.2 Å²	45.2	26%	0.264	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.1	163.2	-57.1	0	0	0	0	108.5	T287 K289 Y303	T287-T301 HydrophobicContact CG2-CG2 4Å; K289-T301 HydrophobicContact CG-CG2 4.14Å; K289-T301 PolarHBondContact NZ-OG1 2.94Å; T301-Y303 HydrophobicContact CG2-CD2 4.16Å; T301-Y303 HydrophobicContact CG2-CE1 4.13Å; T301-Y303 HydrophobicContact CG2-CE2 3.48Å; T301-Y303 VanDerWaalsContact CG2-CE2 3.48Å; T301-Y303 VanDerWaalsContact CG2-CZ 3.46Å; T301-Y303 WeakPolarHBondContact O-CD2 3.48Å
302	L	98.8	Very high	98.3	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	110.9	-172.9	-45.3	-175.8	0	0	0	109.3	T287 L288 V290 H300 W331 G336	T287-L302 WeakPolarHBondContact CA-O 3.27Å; L288-L302 HydrophobicContact CB-CB 4.02Å; L288-L302 HydrophobicContact CB-CD1 3.94Å; L288-L302 HydrophobicContact CB-CG 4.17Å; L288-L302 PolarHBondContact N-O 2.91Å; L288-L302 VanDerWaalsContact N-O 3.16Å; L288-L302 PolarHBondContact O-N 2.94Å; V290-L302 HydrophobicContact CG2-CD1 4.08Å; V290-L302 HydrophobicContact CG2-CD2 4.48Å; V290-L302 HydrophobicContact CG2-CG 4.38Å; H300-L302 HydrophobicContact CB-CD2 3.79Å; L302-W331 HydrophobicContact CB-CD2 4.16Å; L302-W331 HydrophobicContact CB-CE3 3.71Å; L302-W331 HydrophobicContact CB-CH2 4.13Å; L302-W331 HydrophobicContact CB-CZ3 3.69Å; L302-W331 HydrophobicContact CD1-CB 3.94Å; L302-W331 HydrophobicContact CD1-CD2 3.94Å; L302-W331 HydrophobicContact CD1-CE3 4.07Å; L302-W331 HydrophobicContact CD1-CG 3.89Å; L302-W331 HydrophobicContact CD2-CE3 4.48Å; L302-W331 HydrophobicContact CG-CE3 4.3Å; L302-G336 VanDerWaalsContact CD2-O 3.24Å; L302-G336 WeakPolarHBondContact CD2-O 3.45Å
303	Y	98.8	Very high	98.3	Very high	166 Å²	166	45.9 Å²	45.9	65%	0.651	25%	0.246	S	C	*	.			trans	-100.9	143.2	-179.8	-64.6	-86.3	0	0	0	111.2	T287 T301 W331	T287-Y303 HydrophobicContact CG2-CD1 3.76Å; T287-Y303 HydrophobicContact CG2-CE1 3.65Å; T301-Y303 HydrophobicContact CG2-CD2 4.16Å; T301-Y303 HydrophobicContact CG2-CE1 4.13Å; T301-Y303 HydrophobicContact CG2-CE2 3.48Å; T301-Y303 VanDerWaalsContact CG2-CE2 3.48Å; T301-Y303 VanDerWaalsContact CG2-CZ 3.46Å; T301-Y303 WeakPolarHBondContact O-CD2 3.48Å; Y303-W331 VanDerWaalsContact O-CH2 3.25Å; Y303-W331 WeakPolarHBondContact O-CH2 3.48Å; Y303-W331 WeakPolarHBondContact O-CZ3 3.29Å
304	G	98.3	Very high	98.4	Very high	26 Å²	26	46.9 Å²	46.9	27%	0.268	25%	0.251	S	S	.	.			trans	155.1	-32.4	172.2	0	0	0	0	0	113.6	R329	G304-R329 PolarHBondContact O-NE 2.82Å; G304-R329 PolarHBondContact O-NH2 2.72Å
305	H	98.8	Very high	98.5	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.046	25%	0.245	C	C	.	.			trans	-67.3	145.7	169.6	-78.6	-56.5	0	0	0	110.7	R286 V309 S321 S323 D325 T327	R286-H305 WeakPolarHBondContact CB-O 3.31Å; R286-H305 WeakPolarHBondContact O-CB 3.43Å; H305-V309 HydrophobicContact CB-CG2 4.28Å; H305-S321 PolarHBondContact CD2-OG 3.39Å; H305-S321 PolarHBondContact NE2-OG 3.08Å; H305-S323 VanDerWaalsContact CE1-CB 3.41Å; H305-S323 WeakPolarHBondContact CE1-CB 3.4Å; H305-S323 WeakPolarHBondContact ND1-CB 3.4Å; H305-D325 VanDerWaalsContact CA-OD2 3.31Å; H305-D325 WeakPolarHBondContact CA-OD2 3.44Å; H305-D325 WeakPolarHBondContact CB-OD2 3.29Å; H305-D325 IonicContact CG-OD2 3.44Å; H305-D325 IonicContact ND1-OD1 3.72Å; H305-D325 IonicContact ND1-OD2 2.82Å; H305-D325 PolarHBondContact ND1-OD2 3.19Å; H305-T327 PolarHBondContact CE1-OG1 2.99Å; H305-T327 PolarHBondContact ND1-OG1 2.91Å
306	T	98.8	Very high	98.4	Very high	100 Å²	100	48.6 Å²	48.6	61%	0.613	26%	0.255	S	S	*	.	S	Bend	trans	-108.8	-3.9	-177.8	59.2	0	0	0	0	112.3	R286 D325	R286-T306 VanDerWaalsContact CD-O 3.28Å; R286-T306 WeakPolarHBondContact CD-O 3.13Å; R286-T306 PolarHBondContact NE-O 2.86Å; T306-D325 PolarHBondContact N-OD2 2.96Å; T306-D325 WeakPolarHBondContact OG1-CB 3.25Å
307	S	98.8	Very high	98.3	Very high	37 Å²	37	52.2 Å²	52.2	26%	0.259	27%	0.266	S	S	.	.	S	Bend	trans	-140.9	-175.5	175	-161.1	0	0	0	0	110.9	R286 V309 S323 R324	R286-S307 WeakPolarHBondContact CA-O 3.15Å; R286-S307 WeakPolarHBondContact CB-O 3.44Å; S307-V309 PolarHBondContact O-N 3.04Å; S307-S323 PolarHBondContact O-OG 2.98Å; S307-R324 WeakPolarHBondContact OG-CB 3.19Å
308	T	98.8	Very high	98.3	Very high	13 Å²	13	49.4 Å²	49.4	8%	0.08	25%	0.249	C	C	.	.			trans	-55.3	128.8	-176.8	-57.4	0	0	0	0	112.3	T284 R310 S323 R324	T284-T308 HydrophobicContact CG2-CG2 3.83Å; T308-R310 PolarHBondContact O-N 3.4Å; T308-S323 WeakPolarHBondContact O-CA 3.45Å; T308-S323 PolarHBondContact O-OG 3.04Å; T308-R324 PolarHBondContact O-N 2.93Å
309	V	98.9	Very high	98.3	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	104.4	169.7	-174.7	0	0	0	0	108.9	S271 S283 L288 H305 S307 M312	S271-V309 PolarHBondContact OG-O 3.5Å; S283-V309 PolarHBondContact O-N 2.69Å; L288-V309 HydrophobicContact CD1-CB 4.38Å; L288-V309 HydrophobicContact CD1-CG1 3.85Å; L288-V309 HydrophobicContact CD1-CG2 3.68Å; L288-V309 HydrophobicContact CD2-CG1 4.29Å; L288-V309 HydrophobicContact CG-CG1 3.93Å; L288-V309 HydrophobicContact CG-CG2 4.25Å; H305-V309 HydrophobicContact CB-CG2 4.28Å; S307-V309 PolarHBondContact O-N 3.04Å; V309-M312 HydrophobicContact CG1-CE 4.29Å
310	R	98.8	Very high	98.4	Very high	34 Å²	34	43.3 Å²	43.3	13%	0.128	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-34.9	-166.7	-178	59.2	-168.5	96.6	-14.6	113.3	T308 G322 R350	T308-R310 PolarHBondContact O-N 3.4Å; R310-G322 PolarHBondContact N-O 2.93Å; R310-R350 VanDerWaalsContact NH2-CZ 3.28Å
311	C	98.6	Very high	98.4	Very high	13 Å²	13	41.2 Å²	41.2	9%	0.088	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	158.6	-178.2	55.5	0	0	0	0	110.2	S321 G322 R350 V352	C311-S321 WeakPolarHBondContact O-CA 3.46Å; C311-G322 PolarHBondContact N-O 2.95Å; C311-G322 VanDerWaalsContact N-O 3.15Å; C311-G322 PolarHBondContact O-N 3.06Å; C311-R350 WeakPolarHBondContact CB-O 3.37Å; C311-V352 HydrophobicContact CB-CG1 4.09Å
312	M	98.8	Very high	98.4	Very high	11 Å²	11	39.1 Å²	39.1	5%	0.054	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	154.4	172.1	59.2	175.3	75	0	0	111.4	S271 Q273 I280 S281 G282 L288 V309 V319 V320	S271-M312 VanDerWaalsContact OG-CE 3.28Å; S271-M312 WeakPolarHBondContact OG-CE 3.27Å; Q273-M312 HydrophobicContact CB-SD 4.34Å; Q273-M312 HydrophobicContact CG-CG 3.8Å; Q273-M312 HydrophobicContact CG-SD 4.02Å; Q273-M312 PolarHBondContact NE2-O 3.48Å; I280-M312 HydrophobicContact CB-SD 4.11Å; I280-M312 HydrophobicContact CG2-CE 4.29Å; I280-M312 HydrophobicContact CG2-SD 3.81Å; S281-M312 VanDerWaalsContact C-CE 3.42Å; G282-M312 VanDerWaalsContact CA-CE 3.5Å; L288-M312 HydrophobicContact CD2-CE 3.58Å; L288-M312 HydrophobicContact CD2-SD 4.39Å; L288-M312 HydrophobicContact CG-CE 4.18Å; V309-M312 HydrophobicContact CG1-CE 4.29Å; M312-V319 HydrophobicContact CB-CG2 3.97Å; M312-V319 HydrophobicContact SD-CG2 4.33Å; M312-V320 CarbonylContact C-O 3.51Å; M312-V320 WeakPolarHBondContact CA-O 3.43Å; M312-V320 WeakPolarHBondContact CB-O 3.46Å
313	H	98.7	Very high	98.4	Very high	41 Å²	41	39 Å²	39	19%	0.19	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.5	171	-167.4	91.3	0	0	0	109.8	V319 V320 V352 Q353 Y354	H313-V319 WeakPolarHBondContact O-CA 3.31Å; H313-V320 PolarHBondContact N-O 2.93Å; H313-V320 PolarHBondContact O-N 2.68Å; H313-V352 HydrophobicContact CB-CG1 4.29Å; H313-Q353 PolarHBondContact CE1-OE1 2.92Å; H313-Q353 PolarHBondContact ND1-OE1 3.12Å; H313-Y354 PolarHBondContact CD2-N 2.84Å; H313-Y354 PolarHBondContact CD2-O 2.94Å; H313-Y354 PolarHBondContact NE2-O 2.87Å; H313-Y354 VanDerWaalsContact NE2-O 3.14Å
314	L	98.3	Very high	98.4	Very high	20 Å²	20	37.4 Å²	37.4	11%	0.105	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.9	179.7	170.9	62.7	0	0	0	108.6	Q273 R275 I280 E316 R318 V319 I333	Q273-L314 HydrophobicContact CB-CB 3.74Å; Q273-L314 HydrophobicContact CB-CD2 4.24Å; Q273-L314 HydrophobicContact CG-CB 3.93Å; R275-L314 HydrophobicContact CB-CD2 3.73Å; I280-L314 HydrophobicContact CD1-CB 4.49Å; I280-L314 HydrophobicContact CD1-CD1 3.82Å; I280-L314 HydrophobicContact CD1-CD2 4.07Å; I280-L314 HydrophobicContact CD1-CG 4.35Å; L314-E316 WeakPolarHBondContact CD1-O 3.18Å; L314-R318 WeakPolarHBondContact CD1-O 3.42Å; L314-V319 HydrophobicContact CD1-CB 4.35Å; L314-I333 HydrophobicContact CD1-CD1 4Å; L314-I333 HydrophobicContact CD1-CG2 4.32Å
315	H	97.7	Very high	98.4	Very high	58 Å²	58	37.7 Å²	37.7	27%	0.269	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	118.5	169.1	-174.4	89.3	0	0	0	108.4	K317 R318 Y354 D355 G356	H315-K317 PolarHBondContact O-N 2.97Å; H315-R318 PolarHBondContact N-O 3.09Å; H315-R318 PolarHBondContact O-N 3.15Å; H315-Y354 HydrophobicContact CB-CD1 3.42Å; H315-Y354 VanDerWaalsContact CB-CD1 3.42Å; H315-Y354 HydrophobicContact CB-CE1 3.69Å; H315-Y354 HydrophobicContact CB-CG 4.25Å; H315-D355 VanDerWaalsContact CE1-C 3.44Å; H315-D355 PolarHBondContact CE1-O 2.96Å; H315-D355 PolarHBondContact NE2-O 3.45Å; H315-G356 WeakPolarHBondContact CD2-CA 3.31Å; H315-G356 PolarHBondContact CD2-N 3.34Å
316	E	95.6	Very high	98.4	Very high	128 Å²	128	38 Å²	38	60%	0.598	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	-113.7	-175.1	-59.6	-177.4	160.9	0	0	112.6	R275 L314	R275-E316 PolarHBondContact NE-O 3.13Å; R275-E316 VanDerWaalsContact NH1-C 3.3Å; R275-E316 PolarHBondContact NH1-O 3.48Å; R275-E316 VanDerWaalsContact NH1-O 3.13Å; R275-E316 PolarHBondContact NH2-O 3Å; L314-E316 WeakPolarHBondContact CD1-O 3.18Å
317	K	96.3	Very high	98.4	Very high	94 Å²	94	34.4 Å²	34.4	41%	0.409	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-1	-176.8	-60.6	-179.4	173.5	-151.5	0	113.5	H315 I333 E334	H315-K317 PolarHBondContact O-N 2.97Å; K317-I333 VanDerWaalsContact O-CG1 3.27Å; K317-I333 WeakPolarHBondContact O-CG1 3.32Å; K317-I333 WeakPolarHBondContact O-CG2 3.46Å; K317-I333 PolarHBondContact O-N 3.39Å; K317-E334 HydrophobicContact CD-CG 4.46Å; K317-E334 WeakPolarHBondContact CD-OE1 3.5Å; K317-E334 WeakPolarHBondContact CE-OE1 3.37Å; K317-E334 IonicContact NZ-OE1 3.28Å; K317-E334 PolarHBondContact NZ-OE1 2.87Å; K317-E334 IonicContact NZ-OE2 3.69Å; K317-E334 PolarHBondContact NZ-OE2 2.97Å
318	R	98.1	Very high	98.4	Very high	69 Å²	69	32.7 Å²	32.7	26%	0.26	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.6	-173.8	-70.1	177.5	178.8	-172.1	-6.4	111.2	L314 H315 W331 L339 Y354 E374	L314-R318 WeakPolarHBondContact CD1-O 3.42Å; H315-R318 PolarHBondContact N-O 3.09Å; H315-R318 PolarHBondContact O-N 3.15Å; R318-W331 CarbonylContact C-O 3.59Å; R318-W331 WeakPolarHBondContact CA-O 3.23Å; R318-L339 HydrophobicContact CG-CD1 4.22Å; R318-Y354 HydrophobicContact CB-CE1 3.9Å; R318-E374 IonicContact CZ-OE1 3.99Å; R318-E374 IonicContact NH1-OE1 2.88Å; R318-E374 PolarHBondContact NH1-OE1 2.89Å; R318-E374 IonicContact NH2-OE1 3.57Å; R318-E374 IonicContact NH2-OE2 3.6Å
319	V	98.8	Very high	98.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.2	172.5	62.2	0	0	0	0	109.1	I280 M312 H313 L314 V330 W331 I333	I280-V319 HydrophobicContact CD1-CB 3.78Å; I280-V319 HydrophobicContact CD1-CG1 4.03Å; I280-V319 HydrophobicContact CD1-CG2 4.05Å; I280-V319 HydrophobicContact CG2-CG1 4.44Å; I280-V319 HydrophobicContact CG2-CG2 4.38Å; M312-V319 HydrophobicContact CB-CG2 3.97Å; M312-V319 HydrophobicContact SD-CG2 4.33Å; H313-V319 WeakPolarHBondContact O-CA 3.31Å; L314-V319 HydrophobicContact CD1-CB 4.35Å; V319-V330 WeakPolarHBondContact O-CA 3.34Å; V319-W331 HydrophobicContact CG1-CB 3.8Å; V319-W331 HydrophobicContact CG1-CG 4.17Å; V319-W331 PolarHBondContact N-O 2.78Å; V319-W331 PolarHBondContact O-N 3.39Å; V319-I333 HydrophobicContact CB-CG2 4.13Å; V319-I333 HydrophobicContact CG1-CG2 3.77Å
320	V	98.9	Very high	98.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.8	169.6	-172.9	0	0	0	0	108.1	M312 H313 L328 R329 V330 V352 Y354 V359	M312-V320 CarbonylContact C-O 3.51Å; M312-V320 WeakPolarHBondContact CA-O 3.43Å; M312-V320 WeakPolarHBondContact CB-O 3.46Å; H313-V320 PolarHBondContact N-O 2.93Å; H313-V320 PolarHBondContact O-N 2.68Å; V320-L328 HydrophobicContact CG1-CB 4.3Å; V320-L328 HydrophobicContact CG1-CD2 4.05Å; V320-R329 CarbonylContact C-O 3.44Å; V320-R329 VanDerWaalsContact CA-O 3.32Å; V320-R329 WeakPolarHBondContact CA-O 3.4Å; V320-V330 HydrophobicContact CG1-CG2 4.45Å; V320-V330 HydrophobicContact CG2-CG1 4.31Å; V320-V330 HydrophobicContact CG2-CG2 4.11Å; V320-V352 HydrophobicContact CB-CG2 4.28Å; V320-V352 HydrophobicContact CG1-CG2 3.86Å; V320-Y354 HydrophobicContact CG2-CD1 3.66Å; V320-Y354 HydrophobicContact CG2-CD2 4.16Å; V320-Y354 HydrophobicContact CG2-CE1 4.27Å; V320-Y354 HydrophobicContact CG2-CG 3.6Å; V320-V359 HydrophobicContact CG1-CG1 3.79Å; V320-V359 HydrophobicContact CG1-CG2 4.26Å; V320-V359 HydrophobicContact CG2-CG2 3.84Å
321	S	98.9	Very high	98.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.9	177.9	59.8	0	0	0	0	111	H305 C311 L328 R329 W331	H305-S321 PolarHBondContact CD2-OG 3.39Å; H305-S321 PolarHBondContact NE2-OG 3.08Å; C311-S321 WeakPolarHBondContact O-CA 3.46Å; S321-L328 CarbonylContact O-C 3.57Å; S321-L328 WeakPolarHBondContact O-CA 3.39Å; S321-L328 WeakPolarHBondContact O-CB 3.2Å; S321-R329 PolarHBondContact N-O 2.92Å; S321-R329 PolarHBondContact O-N 3Å; S321-R329 PolarHBondContact OG-O 2.78Å; S321-W331 PolarHBondContact OG-NE1 2.51Å
322	G	98.9	Very high	98.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.8	171.1	0	0	0	0	0	110.6	R310 C311	R310-G322 PolarHBondContact N-O 2.93Å; C311-G322 PolarHBondContact N-O 2.95Å; C311-G322 VanDerWaalsContact N-O 3.15Å; C311-G322 PolarHBondContact O-N 3.06Å
323	S	98.9	Very high	98.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	162.1	-171.4	169.9	0	0	0	0	112.9	H305 S307 T308 D325 A326 T327 V349	H305-S323 VanDerWaalsContact CE1-CB 3.41Å; H305-S323 WeakPolarHBondContact CE1-CB 3.4Å; H305-S323 WeakPolarHBondContact ND1-CB 3.4Å; S307-S323 PolarHBondContact O-OG 2.98Å; T308-S323 WeakPolarHBondContact O-CA 3.45Å; T308-S323 PolarHBondContact O-OG 3.04Å; S323-D325 VanDerWaalsContact CB-CG 3.47Å; S323-D325 WeakPolarHBondContact CB-OD1 3.43Å; S323-D325 WeakPolarHBondContact CB-OD2 3.32Å; S323-D325 PolarHBondContact O-N 2.82Å; S323-D325 PolarHBondContact OG-N 3.43Å; S323-D325 VanDerWaalsContact OG-N 3.15Å; S323-D325 PolarHBondContact OG-OD1 3.27Å; S323-D325 PolarHBondContact OG-OD2 3.28Å; S323-A326 PolarHBondContact O-N 2.76Å; S323-T327 PolarHBondContact N-O 3.37Å; S323-T327 VanDerWaalsContact N-O 3.15Å; S323-V349 PolarHBondContact O-N 3.24Å
324	R	98.9	Very high	98.2	Very high	131 Å²	131	36.4 Å²	36.4	49%	0.494	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-8.9	169.4	-71.1	-169.5	-175.3	-173	2.8	113.5	S307 T308 A326 A348	S307-R324 WeakPolarHBondContact OG-CB 3.19Å; T308-R324 PolarHBondContact O-N 2.93Å; R324-A326 PolarHBondContact O-N 3.33Å; R324-A348 HydrophobicContact CB-CB 4.19Å; R324-A348 HydrophobicContact CG-CB 4.09Å
325	D	98.7	Very high	98.2	Very high	33 Å²	33	39 Å²	39	18%	0.176	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	7.6	172.1	61.7	30.5	0	0	0	113.7	H305 T306 S323 T327	H305-D325 VanDerWaalsContact CA-OD2 3.31Å; H305-D325 WeakPolarHBondContact CA-OD2 3.44Å; H305-D325 WeakPolarHBondContact CB-OD2 3.29Å; H305-D325 IonicContact CG-OD2 3.44Å; H305-D325 IonicContact ND1-OD1 3.72Å; H305-D325 IonicContact ND1-OD2 2.82Å; H305-D325 PolarHBondContact ND1-OD2 3.19Å; T306-D325 PolarHBondContact N-OD2 2.96Å; T306-D325 WeakPolarHBondContact OG1-CB 3.25Å; S323-D325 VanDerWaalsContact CB-CG 3.47Å; S323-D325 WeakPolarHBondContact CB-OD1 3.43Å; S323-D325 WeakPolarHBondContact CB-OD2 3.32Å; S323-D325 PolarHBondContact O-N 2.82Å; S323-D325 PolarHBondContact OG-N 3.43Å; S323-D325 VanDerWaalsContact OG-N 3.15Å; S323-D325 PolarHBondContact OG-OD1 3.27Å; S323-D325 PolarHBondContact OG-OD2 3.28Å; D325-T327 PolarHBondContact O-N 3.23Å; D325-T327 WeakPolarHBondContact OD1-CB 3.2Å; D325-T327 PolarHBondContact OD1-N 3.49Å; D325-T327 PolarHBondContact OD1-OG1 2.71Å
326	A	98.8	Very high	98.2	Very high	16 Å²	16	37.1 Å²	37.1	13%	0.132	18%	0.178	C	C	.	.	S	Bend	trans	66.7	12.6	-179.2	0	0	0	0	0	115.1	S323 R324 H345 A347	S323-A326 PolarHBondContact O-N 2.76Å; R324-A326 PolarHBondContact O-N 3.33Å; A326-H345 HydrophobicContact CB-CB 4.41Å; A326-H345 WeakPolarHBondContact O-CB 3.25Å; A326-A347 WeakPolarHBondContact CA-O 3.36Å; A326-A347 VanDerWaalsContact CB-O 3.26Å; A326-A347 WeakPolarHBondContact CB-O 3.3Å
327	T	98.8	Very high	98.3	Very high	25 Å²	25	36.8 Å²	36.8	15%	0.153	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	158	174.4	70.3	0	0	0	0	112.1	H305 S323 D325 M343	H305-T327 PolarHBondContact CE1-OG1 2.99Å; H305-T327 PolarHBondContact ND1-OG1 2.91Å; S323-T327 PolarHBondContact N-O 3.37Å; S323-T327 VanDerWaalsContact N-O 3.15Å; D325-T327 PolarHBondContact O-N 3.23Å; D325-T327 WeakPolarHBondContact OD1-CB 3.2Å; D325-T327 PolarHBondContact OD1-N 3.49Å; D325-T327 PolarHBondContact OD1-OG1 2.71Å; T327-M343 HydrophobicContact CG2-CG 4.32Å
328	L	98.9	Very high	98.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	152	158.3	-57.4	95.1	0	0	0	110.7	V320 S321 L342 V349 V352 V359 W371	V320-L328 HydrophobicContact CG1-CB 4.3Å; V320-L328 HydrophobicContact CG1-CD2 4.05Å; S321-L328 CarbonylContact O-C 3.57Å; S321-L328 WeakPolarHBondContact O-CA 3.39Å; S321-L328 WeakPolarHBondContact O-CB 3.2Å; L328-L342 HydrophobicContact CB-CB 4.12Å; L328-L342 HydrophobicContact CB-CD1 4.24Å; L328-L342 HydrophobicContact CB-CG 4.44Å; L328-L342 PolarHBondContact N-O 2.86Å; L328-L342 PolarHBondContact O-N 3.12Å; L328-V349 HydrophobicContact CD1-CG1 4.2Å; L328-V349 HydrophobicContact CD1-CG2 3.89Å; L328-V349 HydrophobicContact CD2-CG1 4.06Å; L328-V349 HydrophobicContact CG-CG1 4.06Å; L328-V349 HydrophobicContact CG-CG2 4.21Å; L328-V352 HydrophobicContact CD2-CB 4.03Å; L328-V352 HydrophobicContact CD2-CG2 3.5Å; L328-V352 VanDerWaalsContact CD2-CG2 3.5Å; L328-V359 HydrophobicContact CD2-CG1 4.12Å; L328-W371 HydrophobicContact CD1-CZ2 4.32Å
329	R	98.9	Very high	98.5	Very high	48 Å²	48	34 Å²	34	18%	0.181	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.3	175.4	-69.1	178	174	-95.9	-0.1	110.4	G304 V320 S321 W331 C338 H340 V341	G304-R329 PolarHBondContact O-NE 2.82Å; G304-R329 PolarHBondContact O-NH2 2.72Å; V320-R329 CarbonylContact C-O 3.44Å; V320-R329 VanDerWaalsContact CA-O 3.32Å; V320-R329 WeakPolarHBondContact CA-O 3.4Å; S321-R329 PolarHBondContact N-O 2.92Å; S321-R329 PolarHBondContact O-N 3Å; S321-R329 PolarHBondContact OG-O 2.78Å; R329-W331 HydrophobicContact CB-CD2 4.48Å; R329-W331 HydrophobicContact CB-CH2 4.49Å; R329-W331 HydrophobicContact CB-CZ2 3.54Å; R329-W331 HydrophobicContact CG-CZ2 4.06Å; R329-W331 PolarHBondContact O-NE1 3.29Å; R329-C338 PolarHBondContact NH1-SG 3.36Å; R329-C338 VanDerWaalsContact NH1-SG 3.4Å; R329-H340 WeakPolarHBondContact CA-O 3.47Å; R329-V341 HydrophobicContact CG-CG1 4.3Å; R329-V341 HydrophobicContact CG-CG2 4.31Å
330	V	98.9	Very high	98.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.3	175.6	-171.7	0	0	0	0	107.9	V319 V320 L339 H340 L342 P373	V319-V330 WeakPolarHBondContact O-CA 3.34Å; V320-V330 HydrophobicContact CG1-CG2 4.45Å; V320-V330 HydrophobicContact CG2-CG1 4.31Å; V320-V330 HydrophobicContact CG2-CG2 4.11Å; V330-L339 PolarHBondContact O-N 3.21Å; V330-H340 HydrophobicContact CB-CB 4.01Å; V330-H340 HydrophobicContact CG2-CB 3.99Å; V330-H340 PolarHBondContact N-O 3.43Å; V330-H340 PolarHBondContact O-N 3.37Å; V330-L342 HydrophobicContact CG2-CD1 4.41Å; V330-P373 HydrophobicContact CG2-CB 3.94Å
331	W	98.8	Very high	98.4	Very high	3 Å²	3	37 Å²	37	1%	0.011	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.2	-175.1	-43.6	80.6	0	0	0	110.7	L288 L302 Y303 R318 V319 S321 R329 Q337 C338	L288-W331 HydrophobicContact CD1-CZ2 4.11Å; L302-W331 HydrophobicContact CB-CD2 4.16Å; L302-W331 HydrophobicContact CB-CE3 3.71Å; L302-W331 HydrophobicContact CB-CH2 4.13Å; L302-W331 HydrophobicContact CB-CZ3 3.69Å; L302-W331 HydrophobicContact CD1-CB 3.94Å; L302-W331 HydrophobicContact CD1-CD2 3.94Å; L302-W331 HydrophobicContact CD1-CE3 4.07Å; L302-W331 HydrophobicContact CD1-CG 3.89Å; L302-W331 HydrophobicContact CD2-CE3 4.48Å; L302-W331 HydrophobicContact CG-CE3 4.3Å; Y303-W331 VanDerWaalsContact O-CH2 3.25Å; Y303-W331 WeakPolarHBondContact O-CH2 3.48Å; Y303-W331 WeakPolarHBondContact O-CZ3 3.29Å; R318-W331 CarbonylContact C-O 3.59Å; R318-W331 WeakPolarHBondContact CA-O 3.23Å; V319-W331 HydrophobicContact CG1-CB 3.8Å; V319-W331 HydrophobicContact CG1-CG 4.17Å; V319-W331 PolarHBondContact N-O 2.78Å; V319-W331 PolarHBondContact O-N 3.39Å; S321-W331 PolarHBondContact OG-NE1 2.51Å; R329-W331 HydrophobicContact CB-CD2 4.48Å; R329-W331 HydrophobicContact CB-CH2 4.49Å; R329-W331 HydrophobicContact CB-CZ2 3.54Å; R329-W331 HydrophobicContact CG-CZ2 4.06Å; R329-W331 PolarHBondContact O-NE1 3.29Å; W331-Q337 VanDerWaalsContact CA-O 3.27Å; W331-Q337 WeakPolarHBondContact CA-O 3.31Å; W331-C338 HydrophobicContact CD2-CB 4.36Å; W331-C338 VanDerWaalsContact CE3-CA 3.48Å; W331-C338 HydrophobicContact CE3-CB 3.55Å; W331-C338 HydrophobicContact CH2-CB 4.14Å; W331-C338 HydrophobicContact CZ3-CB 3.42Å; W331-C338 VanDerWaalsContact CZ3-CB 3.42Å
332	D	98.4	Very high	98.4	Very high	26 Å²	26	37 Å²	37	14%	0.139	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.6	165	-176.4	-76.9	0	0	0	109.5	E334 T335 G336 Q337 L339	D332-E334 WeakPolarHBondContact OD1-CA 3.29Å; D332-E334 PolarHBondContact OD1-N 3.23Å; D332-T335 WeakPolarHBondContact CB-OG1 3.09Å; D332-T335 PolarHBondContact OD1-N 2.89Å; D332-T335 PolarHBondContact OD1-OG1 3Å; D332-G336 VanDerWaalsContact O-CA 3.3Å; D332-G336 WeakPolarHBondContact O-CA 3.4Å; D332-G336 PolarHBondContact O-N 3.21Å; D332-Q337 PolarHBondContact N-O 3.18Å; D332-L339 HydrophobicContact CB-CD1 4.06Å; D332-L339 HydrophobicContact CB-CD2 4.14Å; D332-L339 HydrophobicContact CB-CG 4.13Å
333	I	96.8	Very high	98.4	Very high	9 Å²	9	43.6 Å²	43.6	5%	0.046	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-17.3	-173.7	75	-171.9	0	0	0	113.1	I278 I280 H300 L314 K317 V319	I278-I333 HydrophobicContact CG2-CD1 4.39Å; I280-I333 HydrophobicContact CD1-CG2 3.61Å; H300-I333 PolarHBondContact CD2-O 3.15Å; L314-I333 HydrophobicContact CD1-CD1 4Å; L314-I333 HydrophobicContact CD1-CG2 4.32Å; K317-I333 VanDerWaalsContact O-CG1 3.27Å; K317-I333 WeakPolarHBondContact O-CG1 3.32Å; K317-I333 WeakPolarHBondContact O-CG2 3.46Å; K317-I333 PolarHBondContact O-N 3.39Å; V319-I333 HydrophobicContact CB-CG2 4.13Å; V319-I333 HydrophobicContact CG1-CG2 3.77Å
334	E	96.4	Very high	98.4	Very high	105 Å²	105	45.4 Å²	45.4	49%	0.491	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-44.1	180	-65	-176	166.6	0	0	110.1	H300 K317 D332	H300-E334 PolarHBondContact NE2-O 3.39Å; K317-E334 HydrophobicContact CD-CG 4.46Å; K317-E334 WeakPolarHBondContact CD-OE1 3.5Å; K317-E334 WeakPolarHBondContact CE-OE1 3.37Å; K317-E334 IonicContact NZ-OE1 3.28Å; K317-E334 PolarHBondContact NZ-OE1 2.87Å; K317-E334 IonicContact NZ-OE2 3.69Å; K317-E334 PolarHBondContact NZ-OE2 2.97Å; D332-E334 WeakPolarHBondContact OD1-CA 3.29Å; D332-E334 PolarHBondContact OD1-N 3.23Å
335	T	97.8	Very high	98.4	Very high	74 Å²	74	39.8 Å²	39.8	45%	0.454	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-21.1	-179.6	65.4	0	0	0	0	113.5	D332 Q337	D332-T335 WeakPolarHBondContact CB-OG1 3.09Å; D332-T335 PolarHBondContact OD1-N 2.89Å; D332-T335 PolarHBondContact OD1-OG1 3Å; T335-Q337 VanDerWaalsContact C-N 3.27Å; T335-Q337 PolarHBondContact O-N 3.28Å; T335-Q337 PolarHBondContact OG1-N 2.58Å
336	G	97.7	Very high	98.4	Very high	19 Å²	19	44.5 Å²	44.5	20%	0.196	25%	0.251	C	S	.	.			trans	73.5	16.7	-175.7	0	0	0	0	0	114	L302 D332	L302-G336 VanDerWaalsContact CD2-O 3.24Å; L302-G336 WeakPolarHBondContact CD2-O 3.45Å; D332-G336 VanDerWaalsContact O-CA 3.3Å; D332-G336 WeakPolarHBondContact O-CA 3.4Å; D332-G336 PolarHBondContact O-N 3.21Å
337	Q	98.4	Very high	98.4	Very high	121 Å²	121	45.2 Å²	45.2	57%	0.565	26%	0.257	S	S	*	.			trans	-91.3	144.5	-177.2	-66	-177.6	-13.4	0	0	112.4	W331 D332 T335 L339	W331-Q337 VanDerWaalsContact CA-O 3.27Å; W331-Q337 WeakPolarHBondContact CA-O 3.31Å; D332-Q337 PolarHBondContact N-O 3.18Å; T335-Q337 VanDerWaalsContact C-N 3.27Å; T335-Q337 PolarHBondContact O-N 3.28Å; T335-Q337 PolarHBondContact OG1-N 2.58Å; Q337-L339 PolarHBondContact O-N 2.86Å
338	C	98.6	Very high	98.4	Very high	49 Å²	49	44.8 Å²	44.8	33%	0.331	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	112.8	164.9	-167.6	0	0	0	0	107.9	R329 W331	R329-C338 PolarHBondContact NH1-SG 3.36Å; R329-C338 VanDerWaalsContact NH1-SG 3.4Å; W331-C338 HydrophobicContact CD2-CB 4.36Å; W331-C338 VanDerWaalsContact CE3-CA 3.48Å; W331-C338 HydrophobicContact CE3-CB 3.55Å; W331-C338 HydrophobicContact CH2-CB 4.14Å; W331-C338 HydrophobicContact CZ3-CB 3.42Å; W331-C338 VanDerWaalsContact CZ3-CB 3.42Å
339	L	98.6	Very high	98.4	Very high	54 Å²	54	44.8 Å²	44.8	28%	0.283	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-46.1	178.5	-59.2	179.8	0	0	0	111	R318 V330 D332 Q337	R318-L339 HydrophobicContact CG-CD1 4.22Å; V330-L339 PolarHBondContact O-N 3.21Å; D332-L339 HydrophobicContact CB-CD1 4.06Å; D332-L339 HydrophobicContact CB-CD2 4.14Å; D332-L339 HydrophobicContact CB-CG 4.13Å; Q337-L339 PolarHBondContact O-N 2.86Å
340	H	98.7	Very high	98.4	Very high	28 Å²	28	44.4 Å²	44.4	13%	0.13	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152.3	-170.6	-57.3	-66	0	0	0	113.2	R329 V330 P373 E374 E376	R329-H340 WeakPolarHBondContact CA-O 3.47Å; V330-H340 HydrophobicContact CB-CB 4.01Å; V330-H340 HydrophobicContact CG2-CB 3.99Å; V330-H340 PolarHBondContact N-O 3.43Å; V330-H340 PolarHBondContact O-N 3.37Å; H340-P373 PolarHBondContact CD2-O 2.78Å; H340-P373 VanDerWaalsContact CD2-O 3.31Å; H340-P373 PolarHBondContact ND1-O 2.91Å; H340-E374 IonicContact NE2-OE2 3.64Å; H340-E376 WeakPolarHBondContact CA-OE1 3.21Å; H340-E376 HydrophobicContact CB-CG 4.06Å; H340-E376 WeakPolarHBondContact CB-OE1 3.42Å; H340-E376 IonicContact CG-OE1 2.67Å; H340-E376 IonicContact ND1-OE1 3.14Å
341	V	98.8	Very high	98.3	Very high	36 Å²	36	44.9 Å²	44.9	22%	0.218	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	112.5	174.1	-171	0	0	0	0	110.4	R329 M343 E376	R329-V341 HydrophobicContact CG-CG1 4.3Å; R329-V341 HydrophobicContact CG-CG2 4.31Å; V341-M343 HydrophobicContact CG1-CG 3.94Å; V341-E376 PolarHBondContact N-OE1 3.44Å
342	L	98.8	Very high	98.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	109	-179.2	-45.6	178.4	0	0	0	109.2	L328 V330 V359 W371 E376	L328-L342 HydrophobicContact CB-CB 4.12Å; L328-L342 HydrophobicContact CB-CD1 4.24Å; L328-L342 HydrophobicContact CB-CG 4.44Å; L328-L342 PolarHBondContact N-O 2.86Å; L328-L342 PolarHBondContact O-N 3.12Å; V330-L342 HydrophobicContact CG2-CD1 4.41Å; L342-V359 HydrophobicContact CD1-CB 4.01Å; L342-V359 HydrophobicContact CD1-CG1 3.97Å; L342-V359 HydrophobicContact CD1-CG2 4.09Å; L342-W371 HydrophobicContact CB-CD2 4.05Å; L342-W371 HydrophobicContact CB-CE3 3.87Å; L342-W371 HydrophobicContact CB-CH2 4.47Å; L342-W371 HydrophobicContact CB-CZ3 4.09Å; L342-W371 HydrophobicContact CD1-CB 3.91Å; L342-W371 HydrophobicContact CD1-CD2 4.19Å; L342-W371 HydrophobicContact CD1-CG 3.87Å; L342-E376 HydrophobicContact CD2-CB 4.3Å
343	M	98.6	Very high	98.4	Very high	138 Å²	138	45.3 Å²	45.3	68%	0.68	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.7	-178.6	-59.2	-171.7	-59.9	0	0	110.9	T327 V341 W371	T327-M343 HydrophobicContact CG2-CG 4.32Å; V341-M343 HydrophobicContact CG1-CG 3.94Å; M343-W371 WeakPolarHBondContact O-CH2 3.45Å; M343-W371 WeakPolarHBondContact O-CZ3 3.45Å
344	G	98.2	Very high	98.4	Very high	39 Å²	39	45.3 Å²	45.3	40%	0.402	26%	0.259	S	S	.	.			trans	151.6	-11.7	173.9	0	0	0	0	0	115.1	K369	G344-K369 WeakPolarHBondContact O-CE 3.44Å
345	H	98.7	Very high	98.5	Very high	13 Å²	13	42.6 Å²	42.6	6%	0.06	25%	0.248	C	C	.	.			trans	-70.8	147.8	162.3	-81.7	-64.8	0	0	0	110.3	A326 V349 S361 A363 D365 W371	A326-H345 HydrophobicContact CB-CB 4.41Å; A326-H345 WeakPolarHBondContact O-CB 3.25Å; H345-V349 HydrophobicContact CB-CG2 4.27Å; H345-S361 PolarHBondContact CD2-OG 2.75Å; H345-S361 PolarHBondContact NE2-OG 3.43Å; H345-A363 HydrophobicContact CB-CB 4.33Å; H345-A363 VanDerWaalsContact CE1-CB 3.47Å; H345-A363 WeakPolarHBondContact CE1-CB 3.3Å; H345-A363 VanDerWaalsContact ND1-CB 3.25Å; H345-A363 WeakPolarHBondContact ND1-CB 3.43Å; H345-D365 WeakPolarHBondContact CA-OD2 3.48Å; H345-D365 WeakPolarHBondContact CB-OD2 3.41Å; H345-D365 IonicContact CE1-OD1 3.84Å; H345-D365 IonicContact CG-OD2 3.39Å; H345-D365 IonicContact ND1-OD1 2.83Å; H345-D365 PolarHBondContact ND1-OD1 3.43Å; H345-D365 IonicContact ND1-OD2 3.96Å; H345-D365 PolarHBondContact ND1-OD2 2.98Å; H345-W371 AromaticContact CD2-CZ2 3.95Å
346	V	98.6	Very high	98.5	Very high	132 Å²	132	40.4 Å²	40.4	80%	0.8	24%	0.24	S	C	*	.	S	Bend	trans	-103	-13.9	-177.6	-174.3	0	0	0	0	111.2	D365	V346-D365 HydrophobicContact CB-CB 4.25Å; V346-D365 PolarHBondContact N-OD2 2.92Å
347	A	98.8	Very high	98.5	Very high	30 Å²	30	45.2 Å²	45.2	25%	0.248	25%	0.252	C	S	.	.	S	Bend	trans	-137.1	175.2	176.3	0	0	0	0	0	111.5	A326 V349 D365	A326-A347 WeakPolarHBondContact CA-O 3.36Å; A326-A347 VanDerWaalsContact CB-O 3.26Å; A326-A347 WeakPolarHBondContact CB-O 3.3Å; A347-V349 PolarHBondContact O-N 3.29Å; A347-D365 HydrophobicContact CB-CB 3.99Å
348	A	98.8	Very high	98.5	Very high	17 Å²	17	41.4 Å²	41.4	14%	0.14	23%	0.233	C	C	.	.			trans	-49.6	130.1	-177	0	0	0	0	0	113.2	R324 A363 Y364	R324-A348 HydrophobicContact CB-CB 4.19Å; R324-A348 HydrophobicContact CG-CB 4.09Å; A348-A363 WeakPolarHBondContact O-CA 3.14Å; A348-A363 WeakPolarHBondContact O-CB 3.4Å; A348-Y364 HydrophobicContact CB-CD2 3.89Å; A348-Y364 HydrophobicContact CB-CE2 4.44Å; A348-Y364 HydrophobicContact CB-CG 4.44Å; A348-Y364 PolarHBondContact O-N 2.9Å
349	V	98.9	Very high	98.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	123.4	173.4	-175.3	0	0	0	0	108.5	S323 L328 H345 A347	S323-V349 PolarHBondContact O-N 3.24Å; L328-V349 HydrophobicContact CD1-CG1 4.2Å; L328-V349 HydrophobicContact CD1-CG2 3.89Å; L328-V349 HydrophobicContact CD2-CG1 4.06Å; L328-V349 HydrophobicContact CG-CG1 4.06Å; L328-V349 HydrophobicContact CG-CG2 4.21Å; H345-V349 HydrophobicContact CB-CG2 4.27Å; A347-V349 PolarHBondContact O-N 3.29Å
350	R	98.6	Very high	98.5	Very high	39 Å²	39	36.5 Å²	36.5	15%	0.147	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-31.3	-171.8	178.8	56.1	-174.1	71.7	9.5	113.2	R310 C311 G362 Y364 Y390	R310-R350 VanDerWaalsContact NH2-CZ 3.28Å; C311-R350 WeakPolarHBondContact CB-O 3.37Å; R350-G362 PolarHBondContact N-O 2.78Å; R350-Y364 HydrophobicContact CB-CD1 4.03Å; R350-Y364 HydrophobicContact CB-CE1 3.66Å; R350-Y364 HydrophobicContact CG-CD1 4.49Å; R350-Y364 HydrophobicContact CG-CE1 3.66Å; R350-Y390 HydrophobicContact CG-CD1 4.1Å; R350-Y390 HydrophobicContact CG-CG 4.49Å
351	C	98.5	Very high	98.5	Very high	11 Å²	11	35.2 Å²	35.2	7%	0.074	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148.2	-178.5	45.7	0	0	0	0	110.3	S361 G362 L392	C351-S361 WeakPolarHBondContact O-CA 3.41Å; C351-G362 PolarHBondContact N-O 2.95Å; C351-G362 PolarHBondContact O-N 3.39Å; C351-L392 HydrophobicContact CB-CB 3.85Å
352	V	98.8	Very high	98.5	Very high	8 Å²	8	33.5 Å²	33.5	5%	0.048	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	144.8	180	65	0	0	0	0	110.1	C311 H313 V320 L328 V359 V360	C311-V352 HydrophobicContact CB-CG1 4.09Å; H313-V352 HydrophobicContact CB-CG1 4.29Å; V320-V352 HydrophobicContact CB-CG2 4.28Å; V320-V352 HydrophobicContact CG1-CG2 3.86Å; L328-V352 HydrophobicContact CD2-CB 4.03Å; L328-V352 HydrophobicContact CD2-CG2 3.5Å; L328-V352 VanDerWaalsContact CD2-CG2 3.5Å; V352-V359 HydrophobicContact CG2-CG1 3.89Å; V352-V360 CarbonylContact C-O 3.57Å; V352-V360 VanDerWaalsContact CA-O 3.26Å; V352-V360 WeakPolarHBondContact CA-O 3.48Å
353	Q	98.8	Very high	98.5	Very high	30 Å²	30	33.5 Å²	33.5	14%	0.14	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.3	168	-66.3	-68.9	-13.4	0	0	109.3	H313 V360 L392 F394	H313-Q353 PolarHBondContact CE1-OE1 2.92Å; H313-Q353 PolarHBondContact ND1-OE1 3.12Å; Q353-V360 PolarHBondContact N-O 2.91Å; Q353-V360 PolarHBondContact O-N 2.88Å; Q353-L392 HydrophobicContact CB-CD2 3.78Å; Q353-L392 HydrophobicContact CG-CD2 3.4Å; Q353-L392 VanDerWaalsContact CG-CD2 3.4Å; Q353-L392 PolarHBondContact NE2-O 2.86Å; Q353-F394 HydrophobicContact CB-CB 3.72Å; Q353-F394 HydrophobicContact CB-CD1 4.42Å; Q353-F394 HydrophobicContact CG-CB 4.11Å
354	Y	98.6	Very high	98.5	Very high	8 Å²	8	29.9 Å²	29.9	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	124.8	-179.9	174.5	-129.3	0	0	0	110.3	H313 H315 R318 V320 G356 R358 V359 P373	H313-Y354 PolarHBondContact CD2-N 2.84Å; H313-Y354 PolarHBondContact CD2-O 2.94Å; H313-Y354 PolarHBondContact NE2-O 2.87Å; H313-Y354 VanDerWaalsContact NE2-O 3.14Å; H315-Y354 HydrophobicContact CB-CD1 3.42Å; H315-Y354 VanDerWaalsContact CB-CD1 3.42Å; H315-Y354 HydrophobicContact CB-CE1 3.69Å; H315-Y354 HydrophobicContact CB-CG 4.25Å; R318-Y354 HydrophobicContact CB-CE1 3.9Å; V320-Y354 HydrophobicContact CG2-CD1 3.66Å; V320-Y354 HydrophobicContact CG2-CD2 4.16Å; V320-Y354 HydrophobicContact CG2-CE1 4.27Å; V320-Y354 HydrophobicContact CG2-CG 3.6Å; Y354-G356 VanDerWaalsContact CE2-CA 3.43Å; Y354-G356 WeakPolarHBondContact CE2-O 3.19Å; Y354-G356 WeakPolarHBondContact OH-CA 3.24Å; Y354-G356 PolarHBondContact OH-O 2.9Å; Y354-R358 WeakPolarHBondContact CD2-O 3.35Å; Y354-V359 HydrophobicContact CD2-CG2 3.66Å; Y354-V359 HydrophobicContact CE2-CG2 4.17Å; Y354-V359 HydrophobicContact CG-CG2 4.33Å; Y354-P373 HydrophobicContact CE2-CG 4.19Å
355	D	97.6	Very high	98.6	Very high	48 Å²	48	29.2 Å²	29.2	26%	0.257	15%	0.154	S	C	.	.			trans	-106.4	10.8	-176.8	71.8	-16.2	0	0	0	113.5	H315 R357 R358 F394	H315-D355 VanDerWaalsContact CE1-C 3.44Å; H315-D355 PolarHBondContact CE1-O 2.96Å; H315-D355 PolarHBondContact NE2-O 3.45Å; D355-R357 VanDerWaalsContact C-N 3.33Å; D355-R357 WeakPolarHBondContact OD1-CA 3.27Å; D355-R357 PolarHBondContact OD1-N 2.78Å; D355-R358 PolarHBondContact N-O 2.96Å; D355-R358 PolarHBondContact OD1-N 2.99Å; D355-F394 HydrophobicContact CB-CD1 4.18Å; D355-F394 HydrophobicContact CB-CE1 3.72Å; D355-F394 VanDerWaalsContact OD2-CE1 3.3Å; D355-F394 WeakPolarHBondContact OD2-CE1 3.34Å; D355-F394 WeakPolarHBondContact OD2-CZ 3.47Å
356	G	97.1	Very high	98.5	Very high	28 Å²	28	32.2 Å²	32.2	29%	0.289	17%	0.167	S	C	.	.	S	Bend	trans	95	-31.8	-171.8	0	0	0	0	0	113.5	H315 Y354	H315-G356 WeakPolarHBondContact CD2-CA 3.31Å; H315-G356 PolarHBondContact CD2-N 3.34Å; Y354-G356 VanDerWaalsContact CE2-CA 3.43Å; Y354-G356 WeakPolarHBondContact CE2-O 3.19Å; Y354-G356 WeakPolarHBondContact OH-CA 3.24Å; Y354-G356 PolarHBondContact OH-O 2.9Å
357	R	97.7	Very high	98.6	Very high	120 Å²	120	28.4 Å²	28.4	45%	0.453	14%	0.141	S	C	.	.	S	Bend	trans	-107.7	-38.7	-174.7	-178.7	-175.9	171	-143.5	-7.9	113.6	D355 E414	D355-R357 VanDerWaalsContact C-N 3.33Å; D355-R357 WeakPolarHBondContact OD1-CA 3.27Å; D355-R357 PolarHBondContact OD1-N 2.78Å; R357-E414 IonicContact CZ-OE1 3.38Å; R357-E414 VanDerWaalsContact CZ-OE1 3.28Å; R357-E414 IonicContact NH1-OE1 2.63Å; R357-E414 PolarHBondContact NH1-OE1 2.99Å; R357-E414 IonicContact NH2-OE1 2.6Å; R357-E414 PolarHBondContact NH2-OE1 3.31Å; R357-E414 IonicContact NH2-OE2 3.53Å
358	R	98.5	Very high	98.6	Very high	42 Å²	42	27 Å²	27	16%	0.158	13%	0.129	C	C	.	.			trans	-132.1	137.2	-175.8	-63.9	-63.5	-177.6	-110.3	7.9	110.3	Y354 D355 V370 W371 L379 F394	Y354-R358 WeakPolarHBondContact CD2-O 3.35Å; D355-R358 PolarHBondContact N-O 2.96Å; D355-R358 PolarHBondContact OD1-N 2.99Å; R358-V370 HydrophobicContact CB-CG1 4.43Å; R358-W371 WeakPolarHBondContact CA-O 3.42Å; R358-L379 VanDerWaalsContact NE-CD1 3.35Å; R358-F394 HydrophobicContact CB-CE1 4.03Å; R358-F394 HydrophobicContact CB-CZ 4.04Å
359	V	98.9	Very high	98.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.6	166.3	178.3	0	0	0	0	108.1	V320 L328 L342 V352 Y354 V370 W371 P373	V320-V359 HydrophobicContact CG1-CG1 3.79Å; V320-V359 HydrophobicContact CG1-CG2 4.26Å; V320-V359 HydrophobicContact CG2-CG2 3.84Å; L328-V359 HydrophobicContact CD2-CG1 4.12Å; L342-V359 HydrophobicContact CD1-CB 4.01Å; L342-V359 HydrophobicContact CD1-CG1 3.97Å; L342-V359 HydrophobicContact CD1-CG2 4.09Å; V352-V359 HydrophobicContact CG2-CG1 3.89Å; Y354-V359 HydrophobicContact CD2-CG2 3.66Å; Y354-V359 HydrophobicContact CE2-CG2 4.17Å; Y354-V359 HydrophobicContact CG-CG2 4.33Å; V359-V370 CarbonylContact O-C 3.58Å; V359-V370 WeakPolarHBondContact O-CA 3.21Å; V359-W371 HydrophobicContact CB-CB 4.15Å; V359-W371 HydrophobicContact CB-CG 4.47Å; V359-W371 PolarHBondContact N-O 2.73Å; V359-W371 VanDerWaalsContact N-O 3.11Å; V359-W371 PolarHBondContact O-N 2.85Å; V359-P373 HydrophobicContact CG2-CB 4.06Å; V359-P373 HydrophobicContact CG2-CG 4.2Å
360	V	98.9	Very high	98.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.3	173	-169.5	0	0	0	0	109.3	V352 Q353 V368 K369 V370 L392 F394 V399	V352-V360 CarbonylContact C-O 3.57Å; V352-V360 VanDerWaalsContact CA-O 3.26Å; V352-V360 WeakPolarHBondContact CA-O 3.48Å; Q353-V360 PolarHBondContact N-O 2.91Å; Q353-V360 PolarHBondContact O-N 2.88Å; V360-V368 HydrophobicContact CG1-CG1 3.79Å; V360-K369 WeakPolarHBondContact CA-O 3.5Å; V360-V370 HydrophobicContact CG1-CG2 4.42Å; V360-V370 HydrophobicContact CG2-CG2 4.43Å; V360-L392 HydrophobicContact CB-CD2 3.97Å; V360-L392 HydrophobicContact CG1-CD1 3.86Å; V360-L392 HydrophobicContact CG1-CD2 3.79Å; V360-L392 HydrophobicContact CG1-CG 4.39Å; V360-F394 HydrophobicContact CG2-CB 4.44Å; V360-F394 HydrophobicContact CG2-CD1 3.81Å; V360-F394 HydrophobicContact CG2-CD2 4.14Å; V360-F394 HydrophobicContact CG2-CE1 4.01Å; V360-F394 HydrophobicContact CG2-CE2 4.37Å; V360-F394 HydrophobicContact CG2-CG 3.87Å; V360-F394 HydrophobicContact CG2-CZ 4.3Å; V360-V399 HydrophobicContact CB-CG2 4.46Å; V360-V399 HydrophobicContact CG1-CB 4.35Å; V360-V399 HydrophobicContact CG1-CG1 3.61Å; V360-V399 HydrophobicContact CG1-CG2 3.76Å; V360-V399 HydrophobicContact CG2-CG2 3.92Å
361	S	98.9	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.7	-174.6	60.5	0	0	0	0	112.3	H345 C351 V368 K369 W371	H345-S361 PolarHBondContact CD2-OG 2.75Å; H345-S361 PolarHBondContact NE2-OG 3.43Å; C351-S361 WeakPolarHBondContact O-CA 3.41Å; S361-V368 CarbonylContact O-C 3.6Å; S361-V368 WeakPolarHBondContact O-CA 3.4Å; S361-V368 WeakPolarHBondContact O-CG1 3.42Å; S361-K369 PolarHBondContact N-O 2.83Å; S361-K369 PolarHBondContact O-N 2.97Å; S361-W371 PolarHBondContact OG-NE1 2.84Å
362	G	98.8	Very high	98.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.9	173.2	0	0	0	0	0	110.9	R350 C351	R350-G362 PolarHBondContact N-O 2.78Å; C351-G362 PolarHBondContact N-O 2.95Å; C351-G362 PolarHBondContact O-N 3.39Å
363	A	98.8	Very high	98.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	175	-171.3	0	0	0	0	0	113.9	H345 A348 D365 F366 M367 V389	H345-A363 HydrophobicContact CB-CB 4.33Å; H345-A363 VanDerWaalsContact CE1-CB 3.47Å; H345-A363 WeakPolarHBondContact CE1-CB 3.3Å; H345-A363 VanDerWaalsContact ND1-CB 3.25Å; H345-A363 WeakPolarHBondContact ND1-CB 3.43Å; A348-A363 WeakPolarHBondContact O-CA 3.14Å; A348-A363 WeakPolarHBondContact O-CB 3.4Å; A363-D365 WeakPolarHBondContact CB-OD1 3.38Å; A363-D365 PolarHBondContact O-N 3.28Å; A363-F366 PolarHBondContact O-N 3.14Å; A363-M367 PolarHBondContact N-O 3.35Å; A363-V389 PolarHBondContact O-N 3.02Å; A363-V389 VanDerWaalsContact O-N 3.09Å
364	Y	98.8	Very high	98.5	Very high	62 Å²	62	29.3 Å²	29.3	24%	0.243	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	0	178.9	-72.1	-8	0	0	0	114.6	A348 R350 F366 R388 Y390	A348-Y364 HydrophobicContact CB-CD2 3.89Å; A348-Y364 HydrophobicContact CB-CE2 4.44Å; A348-Y364 HydrophobicContact CB-CG 4.44Å; A348-Y364 PolarHBondContact O-N 2.9Å; R350-Y364 HydrophobicContact CB-CD1 4.03Å; R350-Y364 HydrophobicContact CB-CE1 3.66Å; R350-Y364 HydrophobicContact CG-CD1 4.49Å; R350-Y364 HydrophobicContact CG-CE1 3.66Å; Y364-F366 VanDerWaalsContact O-CD1 3.3Å; Y364-F366 WeakPolarHBondContact O-CD1 3.39Å; Y364-F366 VanDerWaalsContact O-CE1 3.31Å; Y364-F366 WeakPolarHBondContact O-CE1 3.37Å; Y364-R388 HydrophobicContact CD1-CB 3.63Å; Y364-R388 HydrophobicContact CD1-CG 3.79Å; Y364-R388 HydrophobicContact CE1-CB 4.09Å; Y364-R388 HydrophobicContact CE1-CG 4.45Å; Y364-R388 HydrophobicContact CG-CB 4.32Å; Y364-R388 HydrophobicContact CG-CG 3.97Å; Y364-Y390 HydrophobicContact CE1-CD1 4.32Å; Y364-Y390 HydrophobicContact CE1-CD2 4.43Å; Y364-Y390 AromaticContact CE1-CE1 3.92Å; Y364-Y390 HydrophobicContact CE1-CE1 3.92Å; Y364-Y390 HydrophobicContact CE1-CE2 4.03Å; Y364-Y390 AromaticContact CE1-CZ 3.77Å; Y364-Y390 AromaticContact CZ-CZ 4Å; Y364-Y390 VanDerWaalsContact OH-CE1 3.24Å; Y364-Y390 WeakPolarHBondContact OH-CE1 3.24Å
365	D	98.6	Very high	98.5	Very high	26 Å²	26	32.6 Å²	32.6	14%	0.139	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	8	169.7	56.5	21.2	0	0	0	112.2	H345 V346 A347 A363 M367	H345-D365 WeakPolarHBondContact CA-OD2 3.48Å; H345-D365 WeakPolarHBondContact CB-OD2 3.41Å; H345-D365 IonicContact CE1-OD1 3.84Å; H345-D365 IonicContact CG-OD2 3.39Å; H345-D365 IonicContact ND1-OD1 2.83Å; H345-D365 PolarHBondContact ND1-OD1 3.43Å; H345-D365 IonicContact ND1-OD2 3.96Å; H345-D365 PolarHBondContact ND1-OD2 2.98Å; V346-D365 HydrophobicContact CB-CB 4.25Å; V346-D365 PolarHBondContact N-OD2 2.92Å; A347-D365 HydrophobicContact CB-CB 3.99Å; A363-D365 WeakPolarHBondContact CB-OD1 3.38Å; A363-D365 PolarHBondContact O-N 3.28Å; D365-M367 PolarHBondContact O-N 2.88Å; D365-M367 WeakPolarHBondContact OD1-CB 3.38Å; D365-M367 PolarHBondContact OD1-N 2.98Å
366	F	98.6	Very high	98.5	Very high	76 Å²	76	34.7 Å²	34.7	33%	0.333	17%	0.167	S	C	.	.	S	Bend	trans	73.4	3.2	177.9	-40.1	-19.9	0	0	0	113	A363 Y364 H385 N387 R388	A363-F366 PolarHBondContact O-N 3.14Å; Y364-F366 VanDerWaalsContact O-CD1 3.3Å; Y364-F366 WeakPolarHBondContact O-CD1 3.39Å; Y364-F366 VanDerWaalsContact O-CE1 3.31Å; Y364-F366 WeakPolarHBondContact O-CE1 3.37Å; F366-H385 WeakPolarHBondContact O-CB 3.38Å; F366-N387 WeakPolarHBondContact CA-O 3.42Å; F366-N387 VanDerWaalsContact CB-O 3.32Å; F366-N387 WeakPolarHBondContact CB-O 3.24Å; F366-N387 VanDerWaalsContact CD1-CA 3.48Å; F366-N387 WeakPolarHBondContact CD1-O 3.45Å; F366-N387 VanDerWaalsContact CG-C 3.47Å; F366-N387 WeakPolarHBondContact CG-O 3.42Å; F366-R388 HydrophobicContact CD1-CG 4.19Å; F366-R388 HydrophobicContact CE1-CG 3.85Å
367	M	98.7	Very high	98.6	Very high	51 Å²	51	36.3 Å²	36.3	25%	0.251	17%	0.171	S	C	.	.			trans	-96	150.3	-177.9	-55	-56.4	175.8	0	0	111.4	A363 D365 T381 Q383	A363-M367 PolarHBondContact N-O 3.35Å; D365-M367 PolarHBondContact O-N 2.88Å; D365-M367 WeakPolarHBondContact OD1-CB 3.38Å; D365-M367 PolarHBondContact OD1-N 2.98Å; M367-T381 HydrophobicContact CB-CG2 4.28Å; M367-T381 HydrophobicContact CG-CG2 4.23Å; M367-T381 HydrophobicContact SD-CG2 4.23Å; M367-Q383 HydrophobicContact CE-CG 4.17Å; M367-Q383 HydrophobicContact SD-CB 4.23Å; M367-Q383 HydrophobicContact SD-CG 3.7Å
368	V	98.9	Very high	98.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.3	159.7	-177.3	0	0	0	0	107.9	V360 S361 L382 V389 L392 V399	V360-V368 HydrophobicContact CG1-CG1 3.79Å; S361-V368 CarbonylContact O-C 3.6Å; S361-V368 WeakPolarHBondContact O-CA 3.4Å; S361-V368 WeakPolarHBondContact O-CG1 3.42Å; V368-L382 HydrophobicContact CB-CB 4.08Å; V368-L382 HydrophobicContact CB-CD1 4.09Å; V368-L382 HydrophobicContact CB-CG 4.4Å; V368-L382 HydrophobicContact CG1-CD1 3.85Å; V368-L382 PolarHBondContact N-O 3.44Å; V368-L382 WeakPolarHBondContact O-CB 3.39Å; V368-L382 PolarHBondContact O-N 3.22Å; V368-V389 HydrophobicContact CG2-CG1 4.06Å; V368-V389 HydrophobicContact CG2-CG2 4.01Å; V368-L392 HydrophobicContact CG1-CD1 3.81Å; V368-V399 HydrophobicContact CG1-CG1 4Å
369	K	98.9	Very high	98.6	Very high	22 Å²	22	34.1 Å²	34.1	10%	0.096	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.5	179.7	-71.7	177.7	176.2	-80.5	0	110.9	G344 V360 S361 W371 H380 T381	G344-K369 WeakPolarHBondContact O-CE 3.44Å; V360-K369 WeakPolarHBondContact CA-O 3.5Å; S361-K369 PolarHBondContact N-O 2.83Å; S361-K369 PolarHBondContact O-N 2.97Å; K369-W371 HydrophobicContact CB-CD2 4.49Å; K369-W371 HydrophobicContact CB-CZ2 3.62Å; K369-W371 HydrophobicContact CD-CH2 3.75Å; K369-W371 HydrophobicContact CD-CZ2 3.33Å; K369-W371 HydrophobicContact CG-CZ2 4.11Å; K369-W371 PolarHBondContact O-NE1 3.47Å; K369-H380 WeakPolarHBondContact CA-O 3.37Å; K369-T381 HydrophobicContact CG-CG2 4.35Å; K369-T381 PolarHBondContact NZ-OG1 3.34Å
370	V	98.9	Very high	98.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.2	173	-175.6	0	0	0	0	107.6	R358 V359 V360 L379 H380 L382 V399 V413	R358-V370 HydrophobicContact CB-CG1 4.43Å; V359-V370 CarbonylContact O-C 3.58Å; V359-V370 WeakPolarHBondContact O-CA 3.21Å; V360-V370 HydrophobicContact CG1-CG2 4.42Å; V360-V370 HydrophobicContact CG2-CG2 4.43Å; V370-L379 HydrophobicContact CG1-CD1 4.44Å; V370-L379 PolarHBondContact O-N 2.62Å; V370-H380 HydrophobicContact CB-CB 4.1Å; V370-H380 HydrophobicContact CG2-CB 4.24Å; V370-H380 PolarHBondContact N-O 3.46Å; V370-H380 PolarHBondContact O-N 2.9Å; V370-L382 HydrophobicContact CG2-CD1 4.05Å; V370-L382 HydrophobicContact CG2-CG 4.4Å; V370-V399 HydrophobicContact CG2-CG2 4.44Å; V370-V413 HydrophobicContact CG1-CG2 3.76Å; V370-V413 HydrophobicContact CG2-CG2 4.27Å
371	W	98.9	Very high	98.6	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.2	-173.4	-44	79	0	0	0	111.3	L328 L342 M343 H345 R358 V359 S361 K369 T377 C378	L328-W371 HydrophobicContact CD1-CZ2 4.32Å; L342-W371 HydrophobicContact CB-CD2 4.05Å; L342-W371 HydrophobicContact CB-CE3 3.87Å; L342-W371 HydrophobicContact CB-CH2 4.47Å; L342-W371 HydrophobicContact CB-CZ3 4.09Å; L342-W371 HydrophobicContact CD1-CB 3.91Å; L342-W371 HydrophobicContact CD1-CD2 4.19Å; L342-W371 HydrophobicContact CD1-CG 3.87Å; M343-W371 WeakPolarHBondContact O-CH2 3.45Å; M343-W371 WeakPolarHBondContact O-CZ3 3.45Å; H345-W371 AromaticContact CD2-CZ2 3.95Å; R358-W371 WeakPolarHBondContact CA-O 3.42Å; V359-W371 HydrophobicContact CB-CB 4.15Å; V359-W371 HydrophobicContact CB-CG 4.47Å; V359-W371 PolarHBondContact N-O 2.73Å; V359-W371 VanDerWaalsContact N-O 3.11Å; V359-W371 PolarHBondContact O-N 2.85Å; S361-W371 PolarHBondContact OG-NE1 2.84Å; K369-W371 HydrophobicContact CB-CD2 4.49Å; K369-W371 HydrophobicContact CB-CZ2 3.62Å; K369-W371 HydrophobicContact CD-CH2 3.75Å; K369-W371 HydrophobicContact CD-CZ2 3.33Å; K369-W371 HydrophobicContact CG-CZ2 4.11Å; K369-W371 PolarHBondContact O-NE1 3.47Å; W371-T377 VanDerWaalsContact CA-O 3.27Å; W371-T377 WeakPolarHBondContact CA-O 3.47Å; W371-C378 HydrophobicContact CD2-CB 4.4Å; W371-C378 HydrophobicContact CE3-CB 3.69Å; W371-C378 HydrophobicContact CH2-CB 4.18Å; W371-C378 HydrophobicContact CZ3-CB 3.56Å
372	D	98.6	Very high	98.6	Very high	34 Å²	34	39.4 Å²	39.4	18%	0.182	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	111.2	156.9	176.6	12.1	0	0	0	108.1	E374 T375 E376 T377 L379	D372-E374 VanDerWaalsContact C-N 3.34Å; D372-E374 PolarHBondContact O-N 2.97Å; D372-E374 PolarHBondContact OD1-N 3.19Å; D372-T375 WeakPolarHBondContact CB-OG1 3.43Å; D372-T375 VanDerWaalsContact OD2-CG2 3.29Å; D372-T375 WeakPolarHBondContact OD2-CG2 3.43Å; D372-T375 PolarHBondContact OD2-OG1 2.85Å; D372-E376 PolarHBondContact O-N 3.41Å; D372-E376 VanDerWaalsContact O-N 3.16Å; D372-T377 PolarHBondContact N-O 3.47Å; D372-T377 PolarHBondContact O-N 3.1Å; D372-L379 HydrophobicContact CB-CD1 4.07Å; D372-L379 HydrophobicContact CB-CD2 4.03Å; D372-L379 HydrophobicContact CB-CG 4.11Å
373	P	98	Very high	98.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-34	-176.6	26.3	-33.3	0	0	0	113	V330 H340 Y354 V359 T375 E376	V330-P373 HydrophobicContact CG2-CB 3.94Å; H340-P373 PolarHBondContact CD2-O 2.78Å; H340-P373 VanDerWaalsContact CD2-O 3.31Å; H340-P373 PolarHBondContact ND1-O 2.91Å; Y354-P373 HydrophobicContact CE2-CG 4.19Å; V359-P373 HydrophobicContact CG2-CB 4.06Å; V359-P373 HydrophobicContact CG2-CG 4.2Å; P373-T375 VanDerWaalsContact C-N 3.32Å; P373-T375 PolarHBondContact O-N 2.69Å; P373-E376 PolarHBondContact O-N 3.29Å
374	E	97.9	Very high	98.5	Very high	97 Å²	97	47 Å²	47	45%	0.453	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-33.1	-174.3	-58.3	-55.8	129.7	0	0	112.4	R318 H340 D372	R318-E374 IonicContact CZ-OE1 3.99Å; R318-E374 IonicContact NH1-OE1 2.88Å; R318-E374 PolarHBondContact NH1-OE1 2.89Å; R318-E374 IonicContact NH2-OE1 3.57Å; R318-E374 IonicContact NH2-OE2 3.6Å; H340-E374 IonicContact NE2-OE2 3.64Å; D372-E374 VanDerWaalsContact C-N 3.34Å; D372-E374 PolarHBondContact O-N 2.97Å; D372-E374 PolarHBondContact OD1-N 3.19Å
375	T	98.3	Very high	98.5	Very high	77 Å²	77	44.6 Å²	44.6	47%	0.472	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-3.1	179.8	59.6	0	0	0	0	112.8	D372 P373 T377	D372-T375 WeakPolarHBondContact CB-OG1 3.43Å; D372-T375 VanDerWaalsContact OD2-CG2 3.29Å; D372-T375 WeakPolarHBondContact OD2-CG2 3.43Å; D372-T375 PolarHBondContact OD2-OG1 2.85Å; P373-T375 VanDerWaalsContact C-N 3.32Å; P373-T375 PolarHBondContact O-N 2.69Å; T375-T377 WeakPolarHBondContact O-CG2 3.3Å; T375-T377 PolarHBondContact O-N 3.37Å; T375-T377 VanDerWaalsContact O-N 3.17Å; T375-T377 PolarHBondContact OG1-OG1 2.81Å
376	E	98.6	Very high	98.5	Very high	91 Å²	91	48.6 Å²	48.6	43%	0.425	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	24.3	-174.2	-50.6	-170.9	141.1	0	0	113.7	H340 V341 L342 D372 P373	H340-E376 WeakPolarHBondContact CA-OE1 3.21Å; H340-E376 HydrophobicContact CB-CG 4.06Å; H340-E376 WeakPolarHBondContact CB-OE1 3.42Å; H340-E376 IonicContact CG-OE1 2.67Å; H340-E376 IonicContact ND1-OE1 3.14Å; V341-E376 PolarHBondContact N-OE1 3.44Å; L342-E376 HydrophobicContact CD2-CB 4.3Å; D372-E376 PolarHBondContact O-N 3.41Å; D372-E376 VanDerWaalsContact O-N 3.16Å; P373-E376 PolarHBondContact O-N 3.29Å
377	T	98.4	Very high	98.5	Very high	62 Å²	62	47.3 Å²	47.3	38%	0.38	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	139.2	-174.4	61.6	0	0	0	0	112.5	W371 D372 T375 L379	W371-T377 VanDerWaalsContact CA-O 3.27Å; W371-T377 WeakPolarHBondContact CA-O 3.47Å; D372-T377 PolarHBondContact N-O 3.47Å; D372-T377 PolarHBondContact O-N 3.1Å; T375-T377 WeakPolarHBondContact O-CG2 3.3Å; T375-T377 PolarHBondContact O-N 3.37Å; T375-T377 VanDerWaalsContact O-N 3.17Å; T375-T377 PolarHBondContact OG1-OG1 2.81Å; T377-L379 PolarHBondContact O-N 3.08Å
378	C	98.6	Very high	98.5	Very high	48 Å²	48	50 Å²	50	32%	0.324	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	103.2	166.9	-175.3	0	0	0	0	108.3	W371 H380	W371-C378 HydrophobicContact CD2-CB 4.4Å; W371-C378 HydrophobicContact CE3-CB 3.69Å; W371-C378 HydrophobicContact CH2-CB 4.18Å; W371-C378 HydrophobicContact CZ3-CB 3.56Å; C378-H380 PolarHBondContact SG-O 3.45Å; C378-H380 VanDerWaalsContact SG-O 3.4Å
379	L	98.6	Very high	98.5	Very high	68 Å²	68	50 Å²	50	36%	0.356	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-47.3	178.5	-59.3	178.4	0	0	0	111.1	R358 V370 D372 T377	R358-L379 VanDerWaalsContact NE-CD1 3.35Å; V370-L379 HydrophobicContact CG1-CD1 4.44Å; V370-L379 PolarHBondContact O-N 2.62Å; D372-L379 HydrophobicContact CB-CD1 4.07Å; D372-L379 HydrophobicContact CB-CD2 4.03Å; D372-L379 HydrophobicContact CB-CG 4.11Å; T377-L379 PolarHBondContact O-N 3.08Å
380	H	98.7	Very high	98.5	Very high	51 Å²	51	51 Å²	51	24%	0.236	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.1	-177.2	-64.2	-61.5	0	0	0	111.6	K369 V370 C378 L382 V413 E414 T415	K369-H380 WeakPolarHBondContact CA-O 3.37Å; V370-H380 HydrophobicContact CB-CB 4.1Å; V370-H380 HydrophobicContact CG2-CB 4.24Å; V370-H380 PolarHBondContact N-O 3.46Å; V370-H380 PolarHBondContact O-N 2.9Å; C378-H380 PolarHBondContact SG-O 3.45Å; C378-H380 VanDerWaalsContact SG-O 3.4Å; H380-L382 HydrophobicContact CB-CD2 3.81Å; H380-V413 PolarHBondContact CD2-O 2.97Å; H380-E414 PolarHBondContact NE2-O 3.09Å; H380-T415 PolarHBondContact CE1-O 2.97Å
381	T	98.8	Very high	98.4	Very high	57 Å²	57	51.4 Å²	51.4	35%	0.35	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	102.4	164.8	-60.5	0	0	0	0	108.1	M367 K369 Q383	M367-T381 HydrophobicContact CB-CG2 4.28Å; M367-T381 HydrophobicContact CG-CG2 4.23Å; M367-T381 HydrophobicContact SD-CG2 4.23Å; K369-T381 HydrophobicContact CG-CG2 4.35Å; K369-T381 PolarHBondContact NZ-OG1 3.34Å; T381-Q383 HydrophobicContact CG2-CG 4.11Å; T381-Q383 PolarHBondContact O-N 2.95Å
382	L	98.7	Very high	98.4	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	102.9	-175.8	-45.8	179.2	0	0	0	108.8	V368 V370 H380 V399 W411 G416	V368-L382 HydrophobicContact CB-CB 4.08Å; V368-L382 HydrophobicContact CB-CD1 4.09Å; V368-L382 HydrophobicContact CB-CG 4.4Å; V368-L382 HydrophobicContact CG1-CD1 3.85Å; V368-L382 PolarHBondContact N-O 3.44Å; V368-L382 WeakPolarHBondContact O-CB 3.39Å; V368-L382 PolarHBondContact O-N 3.22Å; V370-L382 HydrophobicContact CG2-CD1 4.05Å; V370-L382 HydrophobicContact CG2-CG 4.4Å; H380-L382 HydrophobicContact CB-CD2 3.81Å; L382-V399 HydrophobicContact CD1-CB 4.41Å; L382-V399 HydrophobicContact CD1-CG1 4.3Å; L382-W411 HydrophobicContact CB-CD2 3.9Å; L382-W411 HydrophobicContact CB-CE3 3.74Å; L382-W411 HydrophobicContact CB-CH2 4.03Å; L382-W411 HydrophobicContact CB-CZ2 4.16Å; L382-W411 HydrophobicContact CB-CZ3 3.82Å; L382-W411 HydrophobicContact CD1-CB 3.91Å; L382-W411 HydrophobicContact CD1-CD2 3.93Å; L382-W411 HydrophobicContact CD1-CE3 4.38Å; L382-W411 HydrophobicContact CD1-CG 3.71Å; L382-W411 HydrophobicContact CD2-CE3 4.32Å; L382-W411 HydrophobicContact CG-CD2 4.38Å; L382-W411 HydrophobicContact CG-CE3 4.37Å; L382-G416 VanDerWaalsContact CD2-CA 3.48Å; L382-G416 VanDerWaalsContact CD2-O 3.25Å; L382-G416 WeakPolarHBondContact CD2-O 3.47Å
383	Q	98.2	Very high	98.4	Very high	133 Å²	133	52 Å²	52	62%	0.621	28%	0.275	S	S	*	.			trans	-99.7	141.5	-178	-53.4	-167.5	-1.6	0	0	111.1	M367 T381 W411	M367-Q383 HydrophobicContact CE-CG 4.17Å; M367-Q383 HydrophobicContact SD-CB 4.23Å; M367-Q383 HydrophobicContact SD-CG 3.7Å; T381-Q383 HydrophobicContact CG2-CG 4.11Å; T381-Q383 PolarHBondContact O-N 2.95Å; Q383-W411 VanDerWaalsContact O-CH2 3.3Å; Q383-W411 WeakPolarHBondContact O-CH2 3.33Å; Q383-W411 WeakPolarHBondContact O-CZ3 3.41Å
384	G	97.9	Very high	98.4	Very high	27 Å²	27	53 Å²	53	28%	0.278	28%	0.279	S	S	.	.			trans	154.8	-22.9	173.8	0	0	0	0	0	114.3	R409	G384-R409 VanDerWaalsContact C-CZ 3.47Å; G384-R409 VanDerWaalsContact C-NE 3.28Å; G384-R409 VanDerWaalsContact O-CZ 3.28Å; G384-R409 PolarHBondContact O-NE 2.77Å; G384-R409 PolarHBondContact O-NH2 3.12Å
385	H	98.6	Very high	98.4	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.056	27%	0.274	C	S	.	.			trans	-68.5	140.4	167.8	-77.6	-56.4	0	0	0	110.4	F366 V389 S401 S403 D405 S407	F366-H385 WeakPolarHBondContact O-CB 3.38Å; H385-V389 HydrophobicContact CB-CG2 4.31Å; H385-S401 PolarHBondContact CD2-OG 2.55Å; H385-S401 PolarHBondContact NE2-O 2.68Å; H385-S401 PolarHBondContact NE2-OG 2.61Å; H385-S403 VanDerWaalsContact CE1-CB 3.45Å; H385-S403 WeakPolarHBondContact CE1-CB 3.07Å; H385-S403 WeakPolarHBondContact ND1-CB 3.43Å; H385-D405 WeakPolarHBondContact CA-OD2 3.4Å; H385-D405 WeakPolarHBondContact CB-OD2 3.36Å; H385-D405 IonicContact CG-OD2 3.59Å; H385-D405 IonicContact ND1-OD1 2.71Å; H385-D405 PolarHBondContact ND1-OD1 3.03Å; H385-D405 IonicContact ND1-OD2 3.67Å; H385-D405 PolarHBondContact ND1-OD2 2.99Å; H385-S407 PolarHBondContact CE1-OG 3.38Å; H385-S407 VanDerWaalsContact CE1-OG 3.28Å; H385-S407 PolarHBondContact ND1-OG 3.02Å; H385-S407 VanDerWaalsContact ND1-OG 3.14Å
386	T	98.5	Very high	98.3	Very high	110 Å²	110	48.7 Å²	48.7	68%	0.675	26%	0.261	S	S	*	.	S	Bend	trans	-104	3.8	-178.6	60.1	0	0	0	0	112.3	D405	T386-D405 PolarHBondContact N-OD2 3.25Å; T386-D405 VanDerWaalsContact OG1-CB 3.26Å; T386-D405 WeakPolarHBondContact OG1-CB 3.21Å
387	N	98.6	Very high	98.3	Very high	49 Å²	49	49 Å²	49	26%	0.262	27%	0.265	S	S	.	.	S	Bend	trans	-152.5	179.2	176.5	-150.1	-35.5	0	0	0	110.3	F366 V389 S403 L404 D405	F366-N387 WeakPolarHBondContact CA-O 3.42Å; F366-N387 VanDerWaalsContact CB-O 3.32Å; F366-N387 WeakPolarHBondContact CB-O 3.24Å; F366-N387 VanDerWaalsContact CD1-CA 3.48Å; F366-N387 WeakPolarHBondContact CD1-O 3.45Å; F366-N387 VanDerWaalsContact CG-C 3.47Å; F366-N387 WeakPolarHBondContact CG-O 3.42Å; N387-V389 PolarHBondContact O-N 2.89Å; N387-S403 PolarHBondContact O-OG 3.28Å; N387-S403 VanDerWaalsContact O-OG 3.11Å; N387-L404 HydrophobicContact CB-CB 4.14Å; N387-D405 HydrophobicContact CB-CB 3.83Å
388	R	98.5	Very high	98.3	Very high	108 Å²	108	47.2 Å²	47.2	41%	0.408	25%	0.252	S	S	.	.			trans	-54.6	132.4	-174.8	-65.4	179.3	-178	123.2	-1.6	112.2	Y364 F366 Y390 S403 L404	Y364-R388 HydrophobicContact CD1-CB 3.63Å; Y364-R388 HydrophobicContact CD1-CG 3.79Å; Y364-R388 HydrophobicContact CE1-CB 4.09Å; Y364-R388 HydrophobicContact CE1-CG 4.45Å; Y364-R388 HydrophobicContact CG-CB 4.32Å; Y364-R388 HydrophobicContact CG-CG 3.97Å; F366-R388 HydrophobicContact CD1-CG 4.19Å; F366-R388 HydrophobicContact CE1-CG 3.85Å; R388-Y390 HydrophobicContact CB-CD2 4.06Å; R388-Y390 HydrophobicContact CB-CE2 3.59Å; R388-Y390 WeakPolarHBondContact O-CD2 3.37Å; R388-S403 WeakPolarHBondContact O-CA 3.21Å; R388-S403 PolarHBondContact O-OG 2.93Å; R388-L404 HydrophobicContact CB-CB 4.48Å; R388-L404 PolarHBondContact O-N 2.9Å
389	V	98.6	Very high	98.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	130.7	172	-174.2	0	0	0	0	109.5	A363 V368 H385 N387	A363-V389 PolarHBondContact O-N 3.02Å; A363-V389 VanDerWaalsContact O-N 3.09Å; V368-V389 HydrophobicContact CG2-CG1 4.06Å; V368-V389 HydrophobicContact CG2-CG2 4.01Å; H385-V389 HydrophobicContact CB-CG2 4.31Å; N387-V389 PolarHBondContact O-N 2.89Å
390	Y	98.4	Very high	98.3	Very high	42 Å²	42	41.7 Å²	41.7	17%	0.165	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-31.8	-173	-88.9	-91.9	0	0	0	114.7	R350 Y364 R388 G402 L404 L428	R350-Y390 HydrophobicContact CG-CD1 4.1Å; R350-Y390 HydrophobicContact CG-CG 4.49Å; Y364-Y390 HydrophobicContact CE1-CD1 4.32Å; Y364-Y390 HydrophobicContact CE1-CD2 4.43Å; Y364-Y390 AromaticContact CE1-CE1 3.92Å; Y364-Y390 HydrophobicContact CE1-CE1 3.92Å; Y364-Y390 HydrophobicContact CE1-CE2 4.03Å; Y364-Y390 AromaticContact CE1-CZ 3.77Å; Y364-Y390 AromaticContact CZ-CZ 4Å; Y364-Y390 VanDerWaalsContact OH-CE1 3.24Å; Y364-Y390 WeakPolarHBondContact OH-CE1 3.24Å; R388-Y390 HydrophobicContact CB-CD2 4.06Å; R388-Y390 HydrophobicContact CB-CE2 3.59Å; R388-Y390 WeakPolarHBondContact O-CD2 3.37Å; Y390-G402 PolarHBondContact N-O 3.03Å; Y390-L404 HydrophobicContact CD2-CB 4.09Å; Y390-L404 HydrophobicContact CE2-CB 3.86Å; Y390-L404 HydrophobicContact CE2-CD2 4.2Å; Y390-L428 HydrophobicContact CD1-CD1 3.75Å; Y390-L428 HydrophobicContact CD2-CD1 3.41Å; Y390-L428 VanDerWaalsContact CD2-CD1 3.41Å; Y390-L428 HydrophobicContact CD2-CG 4.3Å; Y390-L428 HydrophobicContact CE1-CD1 3.76Å; Y390-L428 HydrophobicContact CE2-CD1 3.41Å; Y390-L428 VanDerWaalsContact CE2-CD1 3.41Å; Y390-L428 HydrophobicContact CG-CD1 3.57Å; Y390-L428 HydrophobicContact CG-CG 4.28Å
391	S	97.5	Very high	98.3	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.063	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.7	-174.3	49.3	0	0	0	0	110.2	G402 T429 M432	S391-G402 PolarHBondContact N-O 3.35Å; S391-G402 PolarHBondContact O-N 3.43Å; S391-T429 PolarHBondContact OG-O 3.04Å; S391-M432 WeakPolarHBondContact O-CE 3.41Å; S391-M432 WeakPolarHBondContact OG-CE 3.23Å
392	L	98.3	Very high	98.3	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	136.6	-175.3	-159.1	143.3	0	0	0	111	C351 Q353 V360 V368 F394 V399 V400	C351-L392 HydrophobicContact CB-CB 3.85Å; Q353-L392 HydrophobicContact CB-CD2 3.78Å; Q353-L392 HydrophobicContact CG-CD2 3.4Å; Q353-L392 VanDerWaalsContact CG-CD2 3.4Å; Q353-L392 PolarHBondContact NE2-O 2.86Å; V360-L392 HydrophobicContact CB-CD2 3.97Å; V360-L392 HydrophobicContact CG1-CD1 3.86Å; V360-L392 HydrophobicContact CG1-CD2 3.79Å; V360-L392 HydrophobicContact CG1-CG 4.39Å; V368-L392 HydrophobicContact CG1-CD1 3.81Å; L392-F394 HydrophobicContact CD2-CB 4.42Å; L392-V399 HydrophobicContact CD2-CG1 4.5Å; L392-V399 HydrophobicContact CG-CG1 4.48Å; L392-V400 CarbonylContact C-O 3.49Å; L392-V400 VanDerWaalsContact CA-O 3.29Å; L392-V400 WeakPolarHBondContact CA-O 3.28Å
393	Q	98.6	Very high	98.3	Very high	40 Å²	40	36.4 Å²	36.4	19%	0.187	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.4	169.3	-69	-61.5	-24.7	0	0	109.8	V400 M432 L434	Q393-V400 HydrophobicContact CB-CB 4.29Å; Q393-V400 PolarHBondContact N-O 3.23Å; Q393-V400 PolarHBondContact O-N 3.37Å; Q393-M432 HydrophobicContact CG-CB 3.95Å; Q393-M432 PolarHBondContact NE2-O 2.84Å; Q393-L434 HydrophobicContact CB-CB 3.75Å; Q393-L434 HydrophobicContact CB-CD2 4.3Å; Q393-L434 HydrophobicContact CG-CB 4.06Å
394	F	98.5	Very high	98.3	Very high	21 Å²	21	32.6 Å²	32.6	9%	0.092	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	127.3	-178.1	176	-133.8	0	0	0	109.2	Q353 D355 R358 V360 L392 G396 H398 V399 V413	Q353-F394 HydrophobicContact CB-CB 3.72Å; Q353-F394 HydrophobicContact CB-CD1 4.42Å; Q353-F394 HydrophobicContact CG-CB 4.11Å; D355-F394 HydrophobicContact CB-CD1 4.18Å; D355-F394 HydrophobicContact CB-CE1 3.72Å; D355-F394 VanDerWaalsContact OD2-CE1 3.3Å; D355-F394 WeakPolarHBondContact OD2-CE1 3.34Å; D355-F394 WeakPolarHBondContact OD2-CZ 3.47Å; R358-F394 HydrophobicContact CB-CE1 4.03Å; R358-F394 HydrophobicContact CB-CZ 4.04Å; V360-F394 HydrophobicContact CG2-CB 4.44Å; V360-F394 HydrophobicContact CG2-CD1 3.81Å; V360-F394 HydrophobicContact CG2-CD2 4.14Å; V360-F394 HydrophobicContact CG2-CE1 4.01Å; V360-F394 HydrophobicContact CG2-CE2 4.37Å; V360-F394 HydrophobicContact CG2-CG 3.87Å; V360-F394 HydrophobicContact CG2-CZ 4.3Å; L392-F394 HydrophobicContact CD2-CB 4.42Å; F394-G396 VanDerWaalsContact CE2-C 3.48Å; F394-G396 VanDerWaalsContact CE2-N 3.34Å; F394-H398 WeakPolarHBondContact CA-O 3.42Å; F394-H398 WeakPolarHBondContact CD2-O 3.31Å; F394-V399 HydrophobicContact CD2-CG2 3.94Å; F394-V399 HydrophobicContact CE2-CG2 4.37Å; F394-V413 HydrophobicContact CE2-CB 3.95Å; F394-V413 HydrophobicContact CE2-CG1 4.19Å; F394-V413 HydrophobicContact CE2-CG2 3.69Å; F394-V413 HydrophobicContact CZ-CG2 3.97Å
395	D	97.5	Very high	98.3	Very high	64 Å²	64	32.5 Å²	32.5	34%	0.342	17%	0.167	S	C	.	.			trans	-111.1	11.9	-177.7	65.9	5.1	0	0	0	113.3	I397 H398 L434	D395-I397 VanDerWaalsContact C-N 3.31Å; D395-I397 WeakPolarHBondContact OD1-CA 3.2Å; D395-I397 PolarHBondContact OD1-N 3.31Å; D395-H398 PolarHBondContact N-O 2.64Å; D395-H398 PolarHBondContact OD1-N 2.92Å; D395-H398 IonicContact OD1-ND1 3.52Å; D395-H398 IonicContact OD2-CG 3.48Å; D395-H398 IonicContact OD2-ND1 2.91Å; D395-H398 PolarHBondContact OD2-ND1 3.39Å; D395-H398 VanDerWaalsContact OD2-ND1 3.1Å; D395-L434 HydrophobicContact CB-CD2 3.94Å
396	G	97	Very high	98.3	Very high	20 Å²	20	34.5 Å²	34.5	21%	0.206	18%	0.181	C	C	.	.	S	Bend	trans	90.1	-14.6	-173.6	0	0	0	0	0	114.2	F394	F394-G396 VanDerWaalsContact CE2-C 3.48Å; F394-G396 VanDerWaalsContact CE2-N 3.34Å
397	I	97.9	Very high	98.3	Very high	98 Å²	98	29.9 Å²	29.9	50%	0.503	15%	0.153	S	C	.	.	S	Bend	trans	-124	-50.9	-176.6	-56.8	175.2	0	0	0	110.4	D395 V413	D395-I397 VanDerWaalsContact C-N 3.31Å; D395-I397 WeakPolarHBondContact OD1-CA 3.2Å; D395-I397 PolarHBondContact OD1-N 3.31Å; I397-V413 WeakPolarHBondContact O-CB 3.5Å; I397-V413 WeakPolarHBondContact O-CG1 3.14Å; I397-V413 PolarHBondContact O-N 3.39Å
398	H	98.6	Very high	98.3	Very high	24 Å²	24	27.6 Å²	27.6	11%	0.111	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.2	-177	-47.5	103.5	0	0	0	110.9	F394 D395 V410 W411 I453	F394-H398 WeakPolarHBondContact CA-O 3.42Å; F394-H398 WeakPolarHBondContact CD2-O 3.31Å; D395-H398 PolarHBondContact N-O 2.64Å; D395-H398 PolarHBondContact OD1-N 2.92Å; D395-H398 IonicContact OD1-ND1 3.52Å; D395-H398 IonicContact OD2-CG 3.48Å; D395-H398 IonicContact OD2-ND1 2.91Å; D395-H398 PolarHBondContact OD2-ND1 3.39Å; D395-H398 VanDerWaalsContact OD2-ND1 3.1Å; H398-V410 HydrophobicContact CB-CG1 4.25Å; H398-W411 CarbonylContact C-O 3.52Å; H398-W411 VanDerWaalsContact CA-O 3.26Å; H398-W411 WeakPolarHBondContact CA-O 3.47Å; H398-I453 HydrophobicContact CB-CD1 3.82Å
399	V	98.8	Very high	98.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.5	164.1	177.2	0	0	0	0	108.3	V360 V368 V370 L382 L392 F394 V410 W411 V413	V360-V399 HydrophobicContact CB-CG2 4.46Å; V360-V399 HydrophobicContact CG1-CB 4.35Å; V360-V399 HydrophobicContact CG1-CG1 3.61Å; V360-V399 HydrophobicContact CG1-CG2 3.76Å; V360-V399 HydrophobicContact CG2-CG2 3.92Å; V368-V399 HydrophobicContact CG1-CG1 4Å; V370-V399 HydrophobicContact CG2-CG2 4.44Å; L382-V399 HydrophobicContact CD1-CB 4.41Å; L382-V399 HydrophobicContact CD1-CG1 4.3Å; L392-V399 HydrophobicContact CD2-CG1 4.5Å; L392-V399 HydrophobicContact CG-CG1 4.48Å; F394-V399 HydrophobicContact CD2-CG2 3.94Å; F394-V399 HydrophobicContact CE2-CG2 4.37Å; V399-V410 CarbonylContact O-C 3.53Å; V399-V410 WeakPolarHBondContact O-CA 3.26Å; V399-W411 HydrophobicContact CB-CB 4.2Å; V399-W411 HydrophobicContact CB-CG 4.48Å; V399-W411 PolarHBondContact N-O 3.03Å; V399-W411 VanDerWaalsContact O-CD1 3.31Å; V399-W411 PolarHBondContact O-N 2.93Å; V399-V413 HydrophobicContact CG2-CB 4.33Å; V399-V413 HydrophobicContact CG2-CG2 4.19Å
400	V	98.9	Very high	98.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.8	172.2	-174.6	0	0	0	0	109.3	L392 Q393 I408 R409 V410 M432 L434 L439 I453	L392-V400 CarbonylContact C-O 3.49Å; L392-V400 VanDerWaalsContact CA-O 3.29Å; L392-V400 WeakPolarHBondContact CA-O 3.28Å; Q393-V400 HydrophobicContact CB-CB 4.29Å; Q393-V400 PolarHBondContact N-O 3.23Å; Q393-V400 PolarHBondContact O-N 3.37Å; V400-I408 HydrophobicContact CG1-CG2 3.52Å; V400-R409 CarbonylContact C-O 3.54Å; V400-R409 VanDerWaalsContact CA-O 3.32Å; V400-R409 WeakPolarHBondContact CA-O 3.45Å; V400-V410 HydrophobicContact CG2-CG1 4.44Å; V400-V410 HydrophobicContact CG2-CG2 4.38Å; V400-M432 HydrophobicContact CG1-CE 4.07Å; V400-M432 HydrophobicContact CG1-SD 4.02Å; V400-M432 WeakPolarHBondContact O-CE 3.41Å; V400-L434 HydrophobicContact CG2-CD2 4.02Å; V400-L439 HydrophobicContact CG1-CD1 3.92Å; V400-L439 HydrophobicContact CG1-CD2 3.62Å; V400-L439 HydrophobicContact CG1-CG 4.41Å; V400-I453 HydrophobicContact CG2-CD1 4.37Å; V400-I453 HydrophobicContact CG2-CG2 4.46Å
401	S	98.8	Very high	98.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.7	-177.7	57.6	0	0	0	0	112.3	H385 I408 R409 W411	H385-S401 PolarHBondContact CD2-OG 2.55Å; H385-S401 PolarHBondContact NE2-O 2.68Å; H385-S401 PolarHBondContact NE2-OG 2.61Å; S401-I408 CarbonylContact O-C 3.6Å; S401-I408 VanDerWaalsContact O-CA 3.24Å; S401-I408 WeakPolarHBondContact O-CA 3.38Å; S401-R409 PolarHBondContact N-O 3.17Å; S401-R409 PolarHBondContact O-N 2.91Å; S401-W411 PolarHBondContact OG-NE1 3.24Å
402	G	98.6	Very high	98.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.8	177.1	0	0	0	0	0	110.9	Y390 S391 M432	Y390-G402 PolarHBondContact N-O 3.03Å; S391-G402 PolarHBondContact N-O 3.35Å; S391-G402 PolarHBondContact O-N 3.43Å; G402-M432 VanDerWaalsContact N-CE 3.29Å
403	S	98.4	Very high	98.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	163.5	-169.9	172.9	0	0	0	0	112.9	H385 N387 R388 D405 T406 S407	H385-S403 VanDerWaalsContact CE1-CB 3.45Å; H385-S403 WeakPolarHBondContact CE1-CB 3.07Å; H385-S403 WeakPolarHBondContact ND1-CB 3.43Å; N387-S403 PolarHBondContact O-OG 3.28Å; N387-S403 VanDerWaalsContact O-OG 3.11Å; R388-S403 WeakPolarHBondContact O-CA 3.21Å; R388-S403 PolarHBondContact O-OG 2.93Å; S403-D405 VanDerWaalsContact CB-CG 3.48Å; S403-D405 VanDerWaalsContact CB-OD1 3.23Å; S403-D405 WeakPolarHBondContact CB-OD1 3.12Å; S403-D405 WeakPolarHBondContact CB-OD2 3.33Å; S403-D405 PolarHBondContact O-N 3.27Å; S403-D405 PolarHBondContact OG-N 2.93Å; S403-D405 VanDerWaalsContact OG-N 3.09Å; S403-D405 PolarHBondContact OG-OD1 3.43Å; S403-D405 PolarHBondContact OG-OD2 3.2Å; S403-T406 PolarHBondContact O-N 3.25Å; S403-S407 PolarHBondContact N-O 3.25Å
404	L	98.3	Very high	98.3	Very high	53 Å²	53	26.8 Å²	26.8	28%	0.277	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.4	168.3	-178.6	59.4	0	0	0	112.2	N387 R388 Y390 T406 L428	N387-L404 HydrophobicContact CB-CB 4.14Å; R388-L404 HydrophobicContact CB-CB 4.48Å; R388-L404 PolarHBondContact O-N 2.9Å; Y390-L404 HydrophobicContact CD2-CB 4.09Å; Y390-L404 HydrophobicContact CE2-CB 3.86Å; Y390-L404 HydrophobicContact CE2-CD2 4.2Å; L404-T406 PolarHBondContact O-N 2.94Å; L404-L428 HydrophobicContact CB-CD1 4.4Å; L404-L428 HydrophobicContact CD1-CB 3.82Å; L404-L428 HydrophobicContact CD1-CD1 3.9Å; L404-L428 HydrophobicContact CD1-CG 4.44Å
405	D	97.9	Very high	98.3	Very high	24 Å²	24	29.3 Å²	29.3	13%	0.128	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	8.6	172.5	65.9	26.3	0	0	0	113.9	H385 T386 N387 S403 S407	H385-D405 WeakPolarHBondContact CA-OD2 3.4Å; H385-D405 WeakPolarHBondContact CB-OD2 3.36Å; H385-D405 IonicContact CG-OD2 3.59Å; H385-D405 IonicContact ND1-OD1 2.71Å; H385-D405 PolarHBondContact ND1-OD1 3.03Å; H385-D405 IonicContact ND1-OD2 3.67Å; H385-D405 PolarHBondContact ND1-OD2 2.99Å; T386-D405 PolarHBondContact N-OD2 3.25Å; T386-D405 VanDerWaalsContact OG1-CB 3.26Å; T386-D405 WeakPolarHBondContact OG1-CB 3.21Å; N387-D405 HydrophobicContact CB-CB 3.83Å; S403-D405 VanDerWaalsContact CB-CG 3.48Å; S403-D405 VanDerWaalsContact CB-OD1 3.23Å; S403-D405 WeakPolarHBondContact CB-OD1 3.12Å; S403-D405 WeakPolarHBondContact CB-OD2 3.33Å; S403-D405 PolarHBondContact O-N 3.27Å; S403-D405 PolarHBondContact OG-N 2.93Å; S403-D405 VanDerWaalsContact OG-N 3.09Å; S403-D405 PolarHBondContact OG-OD1 3.43Å; S403-D405 PolarHBondContact OG-OD2 3.2Å; D405-S407 VanDerWaalsContact CG-OG 3.31Å; D405-S407 PolarHBondContact O-N 3.16Å; D405-S407 WeakPolarHBondContact OD1-CA 3.5Å; D405-S407 VanDerWaalsContact OD1-CB 3.3Å; D405-S407 WeakPolarHBondContact OD1-CB 3.46Å; D405-S407 PolarHBondContact OD1-N 3.45Å; D405-S407 PolarHBondContact OD1-OG 3.37Å
406	T	97.9	Very high	98.3	Very high	54 Å²	54	27 Å²	27	33%	0.331	15%	0.149	S	C	.	.	S	Bend	trans	71.4	-6.9	-179	76.9	0	0	0	0	115.8	S403 L404 H425	S403-T406 PolarHBondContact O-N 3.25Å; L404-T406 PolarHBondContact O-N 2.94Å; T406-H425 WeakPolarHBondContact CB-O 3.06Å
407	S	97.9	Very high	98.4	Very high	13 Å²	13	30.9 Å²	30.9	9%	0.091	17%	0.166	C	C	.	.			trans	-89.3	153	177.1	74.9	0	0	0	0	112.4	H385 S403 D405	H385-S407 PolarHBondContact CE1-OG 3.38Å; H385-S407 VanDerWaalsContact CE1-OG 3.28Å; H385-S407 PolarHBondContact ND1-OG 3.02Å; H385-S407 VanDerWaalsContact ND1-OG 3.14Å; S403-S407 PolarHBondContact N-O 3.25Å; D405-S407 VanDerWaalsContact CG-OG 3.31Å; D405-S407 PolarHBondContact O-N 3.16Å; D405-S407 WeakPolarHBondContact OD1-CA 3.5Å; D405-S407 VanDerWaalsContact OD1-CB 3.3Å; D405-S407 WeakPolarHBondContact OD1-CB 3.46Å; D405-S407 PolarHBondContact OD1-N 3.45Å; D405-S407 PolarHBondContact OD1-OG 3.37Å
408	I	98.8	Very high	98.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.9	162.9	-60.9	167.9	0	0	0	107.2	V400 S401 L422 T429 M432 L439 S441	V400-I408 HydrophobicContact CG1-CG2 3.52Å; S401-I408 CarbonylContact O-C 3.6Å; S401-I408 VanDerWaalsContact O-CA 3.24Å; S401-I408 WeakPolarHBondContact O-CA 3.38Å; I408-L422 HydrophobicContact CB-CB 4.16Å; I408-L422 HydrophobicContact CB-CD1 4.42Å; I408-L422 HydrophobicContact CG2-CD1 4.11Å; I408-L422 PolarHBondContact N-O 2.86Å; I408-L422 WeakPolarHBondContact O-CB 3.25Å; I408-L422 PolarHBondContact O-N 3.35Å; I408-T429 HydrophobicContact CD1-CG2 3.95Å; I408-T429 HydrophobicContact CG1-CG2 4.2Å; I408-M432 HydrophobicContact CD1-SD 4.15Å; I408-M432 HydrophobicContact CG1-SD 4.26Å; I408-M432 HydrophobicContact CG2-SD 3.95Å; I408-L439 HydrophobicContact CG2-CD2 3.92Å; I408-S441 WeakPolarHBondContact CD1-OG 3.5Å
409	R	98.8	Very high	98.4	Very high	46 Å²	46	30.9 Å²	30.9	17%	0.174	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.5	179.2	-69.3	177.7	172.7	-93.1	2.1	110.7	G384 V400 S401 W411 C418 H420 T421	G384-R409 VanDerWaalsContact C-CZ 3.47Å; G384-R409 VanDerWaalsContact C-NE 3.28Å; G384-R409 VanDerWaalsContact O-CZ 3.28Å; G384-R409 PolarHBondContact O-NE 2.77Å; G384-R409 PolarHBondContact O-NH2 3.12Å; V400-R409 CarbonylContact C-O 3.54Å; V400-R409 VanDerWaalsContact CA-O 3.32Å; V400-R409 WeakPolarHBondContact CA-O 3.45Å; S401-R409 PolarHBondContact N-O 3.17Å; S401-R409 PolarHBondContact O-N 2.91Å; R409-W411 HydrophobicContact CB-CD2 4.44Å; R409-W411 HydrophobicContact CB-CH2 4.47Å; R409-W411 HydrophobicContact CB-CZ2 3.55Å; R409-W411 HydrophobicContact CG-CZ2 4.04Å; R409-C418 PolarHBondContact NH1-SG 3.41Å; R409-C418 VanDerWaalsContact NH1-SG 3.38Å; R409-H420 WeakPolarHBondContact CA-O 3.41Å; R409-T421 HydrophobicContact CG-CG2 4.31Å; R409-T421 PolarHBondContact NH1-OG1 3.4Å
410	V	98.8	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.5	174.1	-173.2	0	0	0	0	107.5	H398 V399 V400 I419 H420 L422 I453	H398-V410 HydrophobicContact CB-CG1 4.25Å; V399-V410 CarbonylContact O-C 3.53Å; V399-V410 WeakPolarHBondContact O-CA 3.26Å; V400-V410 HydrophobicContact CG2-CG1 4.44Å; V400-V410 HydrophobicContact CG2-CG2 4.38Å; V410-I419 HydrophobicContact CG1-CD1 4.3Å; V410-I419 PolarHBondContact O-N 3.16Å; V410-H420 HydrophobicContact CB-CB 4.1Å; V410-H420 HydrophobicContact CG2-CB 4.16Å; V410-H420 PolarHBondContact N-O 2.83Å; V410-H420 PolarHBondContact O-N 2.74Å; V410-L422 HydrophobicContact CG2-CD1 3.98Å; V410-L422 HydrophobicContact CG2-CG 4.26Å; V410-I453 HydrophobicContact CG1-CB 4.18Å; V410-I453 HydrophobicContact CG1-CD1 4.42Å; V410-I453 HydrophobicContact CG2-CB 4.14Å; V410-I453 HydrophobicContact CG2-CG2 4.22Å
411	W	98.8	Very high	98.4	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.019	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.4	-175	-39.3	80.1	0	0	0	110.2	L382 Q383 H398 V399 S401 R409 N417 C418	L382-W411 HydrophobicContact CB-CD2 3.9Å; L382-W411 HydrophobicContact CB-CE3 3.74Å; L382-W411 HydrophobicContact CB-CH2 4.03Å; L382-W411 HydrophobicContact CB-CZ2 4.16Å; L382-W411 HydrophobicContact CB-CZ3 3.82Å; L382-W411 HydrophobicContact CD1-CB 3.91Å; L382-W411 HydrophobicContact CD1-CD2 3.93Å; L382-W411 HydrophobicContact CD1-CE3 4.38Å; L382-W411 HydrophobicContact CD1-CG 3.71Å; L382-W411 HydrophobicContact CD2-CE3 4.32Å; L382-W411 HydrophobicContact CG-CD2 4.38Å; L382-W411 HydrophobicContact CG-CE3 4.37Å; Q383-W411 VanDerWaalsContact O-CH2 3.3Å; Q383-W411 WeakPolarHBondContact O-CH2 3.33Å; Q383-W411 WeakPolarHBondContact O-CZ3 3.41Å; H398-W411 CarbonylContact C-O 3.52Å; H398-W411 VanDerWaalsContact CA-O 3.26Å; H398-W411 WeakPolarHBondContact CA-O 3.47Å; V399-W411 HydrophobicContact CB-CB 4.2Å; V399-W411 HydrophobicContact CB-CG 4.48Å; V399-W411 PolarHBondContact N-O 3.03Å; V399-W411 VanDerWaalsContact O-CD1 3.31Å; V399-W411 PolarHBondContact O-N 2.93Å; S401-W411 PolarHBondContact OG-NE1 3.24Å; R409-W411 HydrophobicContact CB-CD2 4.44Å; R409-W411 HydrophobicContact CB-CH2 4.47Å; R409-W411 HydrophobicContact CB-CZ2 3.55Å; R409-W411 HydrophobicContact CG-CZ2 4.04Å; W411-N417 CarbonylContact C-O 3.59Å; W411-N417 VanDerWaalsContact CA-O 3.24Å; W411-N417 WeakPolarHBondContact CA-O 3.28Å; W411-C418 HydrophobicContact CD2-CB 4.39Å; W411-C418 HydrophobicContact CE3-CB 3.59Å; W411-C418 HydrophobicContact CH2-CB 4.41Å; W411-C418 HydrophobicContact CZ3-CB 3.6Å
412	D	98.6	Very high	98.3	Very high	41 Å²	41	36.4 Å²	36.4	22%	0.219	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	125.1	168.4	179.2	-93	0	0	0	109.5	E414 T415 G416 N417 I419	D412-E414 PolarHBondContact O-N 3.1Å; D412-E414 PolarHBondContact OD1-N 3.12Å; D412-T415 WeakPolarHBondContact CB-OG1 3.46Å; D412-T415 WeakPolarHBondContact OD1-CB 3.29Å; D412-T415 WeakPolarHBondContact OD1-CG2 3.28Å; D412-T415 PolarHBondContact OD1-N 2.72Å; D412-T415 PolarHBondContact OD1-OG1 3.45Å; D412-G416 VanDerWaalsContact O-CA 3.28Å; D412-G416 WeakPolarHBondContact O-CA 3.45Å; D412-G416 PolarHBondContact O-N 3.42Å; D412-N417 PolarHBondContact N-O 2.74Å; D412-I419 HydrophobicContact CB-CD1 3.92Å; D412-I419 HydrophobicContact CB-CG1 4.09Å
413	V	98.2	Very high	98.3	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.024	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-30	-173.8	75	0	0	0	0	113.1	V370 H380 F394 I397 V399	V370-V413 HydrophobicContact CG1-CG2 3.76Å; V370-V413 HydrophobicContact CG2-CG2 4.27Å; H380-V413 PolarHBondContact CD2-O 2.97Å; F394-V413 HydrophobicContact CE2-CB 3.95Å; F394-V413 HydrophobicContact CE2-CG1 4.19Å; F394-V413 HydrophobicContact CE2-CG2 3.69Å; F394-V413 HydrophobicContact CZ-CG2 3.97Å; I397-V413 WeakPolarHBondContact O-CB 3.5Å; I397-V413 WeakPolarHBondContact O-CG1 3.14Å; I397-V413 PolarHBondContact O-N 3.39Å; V399-V413 HydrophobicContact CG2-CB 4.33Å; V399-V413 HydrophobicContact CG2-CG2 4.19Å
414	E	97.8	Very high	98.1	Very high	95 Å²	95	43.4 Å²	43.4	44%	0.444	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-41.5	-174.7	-65.8	-67.2	171.9	0	0	110.9	R357 H380 D412	R357-E414 IonicContact CZ-OE1 3.38Å; R357-E414 VanDerWaalsContact CZ-OE1 3.28Å; R357-E414 IonicContact NH1-OE1 2.63Å; R357-E414 PolarHBondContact NH1-OE1 2.99Å; R357-E414 IonicContact NH2-OE1 2.6Å; R357-E414 PolarHBondContact NH2-OE1 3.31Å; R357-E414 IonicContact NH2-OE2 3.53Å; H380-E414 PolarHBondContact NE2-O 3.09Å; D412-E414 PolarHBondContact O-N 3.1Å; D412-E414 PolarHBondContact OD1-N 3.12Å
415	T	98.1	Very high	98.1	Very high	74 Å²	74	41.3 Å²	41.3	45%	0.454	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-23.2	-178.7	63.2	0	0	0	0	113.9	H380 D412 N417	H380-T415 PolarHBondContact CE1-O 2.97Å; D412-T415 WeakPolarHBondContact CB-OG1 3.46Å; D412-T415 WeakPolarHBondContact OD1-CB 3.29Å; D412-T415 WeakPolarHBondContact OD1-CG2 3.28Å; D412-T415 PolarHBondContact OD1-N 2.72Å; D412-T415 PolarHBondContact OD1-OG1 3.45Å; T415-N417 PolarHBondContact O-N 2.86Å; T415-N417 PolarHBondContact OG1-N 3.15Å; T415-N417 PolarHBondContact OG1-ND2 2.8Å
416	G	97.9	Very high	98	Very high	14 Å²	14	48 Å²	48	14%	0.144	27%	0.271	C	S	.	.			trans	75.9	6.6	-173.8	0	0	0	0	0	114.4	L382 D412	L382-G416 VanDerWaalsContact CD2-CA 3.48Å; L382-G416 VanDerWaalsContact CD2-O 3.25Å; L382-G416 WeakPolarHBondContact CD2-O 3.47Å; D412-G416 VanDerWaalsContact O-CA 3.28Å; D412-G416 WeakPolarHBondContact O-CA 3.45Å; D412-G416 PolarHBondContact O-N 3.42Å
417	N	98.4	Very high	98	Very high	103 Å²	103	47.5 Å²	47.5	55%	0.551	27%	0.27	S	S	*	.			trans	-77.2	143.2	-178.5	-70	-34.3	0	0	0	111.9	W411 D412 T415 I419	W411-N417 CarbonylContact C-O 3.59Å; W411-N417 VanDerWaalsContact CA-O 3.24Å; W411-N417 WeakPolarHBondContact CA-O 3.28Å; D412-N417 PolarHBondContact N-O 2.74Å; T415-N417 PolarHBondContact O-N 2.86Å; T415-N417 PolarHBondContact OG1-N 3.15Å; T415-N417 PolarHBondContact OG1-ND2 2.8Å; N417-I419 PolarHBondContact O-N 3.48Å
418	C	98.4	Very high	97.9	Very high	49 Å²	49	48.4 Å²	48.4	33%	0.331	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	115.7	168.7	-169.9	0	0	0	0	109.1	R409 W411 H420	R409-C418 PolarHBondContact NH1-SG 3.41Å; R409-C418 VanDerWaalsContact NH1-SG 3.38Å; W411-C418 HydrophobicContact CD2-CB 4.39Å; W411-C418 HydrophobicContact CE3-CB 3.59Å; W411-C418 HydrophobicContact CH2-CB 4.41Å; W411-C418 HydrophobicContact CZ3-CB 3.6Å; C418-H420 PolarHBondContact SG-O 2.95Å
419	I	98.3	Very high	97.7	Very high	72 Å²	72	48.3 Å²	48.3	37%	0.369	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-50.6	176.9	-53	168.5	0	0	0	109.6	V410 D412 N417	V410-I419 HydrophobicContact CG1-CD1 4.3Å; V410-I419 PolarHBondContact O-N 3.16Å; D412-I419 HydrophobicContact CB-CD1 3.92Å; D412-I419 HydrophobicContact CB-CG1 4.09Å; N417-I419 PolarHBondContact O-N 3.48Å
420	H	98.6	Very high	97.3	Very high	46 Å²	46	47.8 Å²	47.8	21%	0.213	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.3	-176.8	-66	-65.2	0	0	0	112	R409 V410 C418 L422 I453 K454	R409-H420 WeakPolarHBondContact CA-O 3.41Å; V410-H420 HydrophobicContact CB-CB 4.1Å; V410-H420 HydrophobicContact CG2-CB 4.16Å; V410-H420 PolarHBondContact N-O 2.83Å; V410-H420 PolarHBondContact O-N 2.74Å; C418-H420 PolarHBondContact SG-O 2.95Å; H420-L422 HydrophobicContact CB-CD2 3.86Å; H420-L422 HydrophobicContact CB-CG 4.49Å; H420-I453 PolarHBondContact CD2-O 2.94Å; H420-K454 PolarHBondContact NE2-O 2.63Å
421	T	98.5	Very high	96.8	Very high	64 Å²	64	48.6 Å²	48.6	39%	0.393	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	99.6	163.6	-58	0	0	0	0	107.9	R409 T423	R409-T421 HydrophobicContact CG-CG2 4.31Å; R409-T421 PolarHBondContact NH1-OG1 3.4Å; T421-T423 HydrophobicContact CG2-CG2 4.1Å
422	L	98.4	Very high	96.8	Very high	7 Å²	7	49 Å²	49	4%	0.037	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	118	-179.4	-46.6	178.3	0	0	0	108.8	I408 V410 H420 L439 W451	I408-L422 HydrophobicContact CB-CB 4.16Å; I408-L422 HydrophobicContact CB-CD1 4.42Å; I408-L422 HydrophobicContact CG2-CD1 4.11Å; I408-L422 PolarHBondContact N-O 2.86Å; I408-L422 WeakPolarHBondContact O-CB 3.25Å; I408-L422 PolarHBondContact O-N 3.35Å; V410-L422 HydrophobicContact CG2-CD1 3.98Å; V410-L422 HydrophobicContact CG2-CG 4.26Å; H420-L422 HydrophobicContact CB-CD2 3.86Å; H420-L422 HydrophobicContact CB-CG 4.49Å; L422-L439 HydrophobicContact CD1-CD2 4.03Å; L422-W451 HydrophobicContact CB-CD2 4.34Å; L422-W451 HydrophobicContact CB-CE3 3.95Å; L422-W451 HydrophobicContact CB-CH2 4.07Å; L422-W451 HydrophobicContact CB-CZ2 4.42Å; L422-W451 HydrophobicContact CB-CZ3 3.82Å; L422-W451 HydrophobicContact CD1-CB 4.14Å; L422-W451 HydrophobicContact CD1-CD2 3.92Å; L422-W451 HydrophobicContact CD1-CE3 4.07Å; L422-W451 HydrophobicContact CD1-CG 3.96Å; L422-W451 HydrophobicContact CD2-CE3 4.15Å; L422-W451 HydrophobicContact CG-CE3 4.28Å
423	T	97.3	Very high	96.8	Very high	101 Å²	101	49.2 Å²	49.2	62%	0.62	29%	0.286	S	S	*	.			trans	-119.3	154.9	-177.5	59.8	0	0	0	0	110.9	T421 W451	T421-T423 HydrophobicContact CG2-CG2 4.1Å; T423-W451 WeakPolarHBondContact O-CH2 3.38Å
424	G	95	Very high	96.7	Very high	45 Å²	45	50.1 Å²	50.1	46%	0.464	29%	0.291	S	S	.	.			trans	132.4	-11.6	176.8	0	0	0	0	0	114.5	K449	G424-K449 VanDerWaalsContact O-CE 3.28Å; G424-K449 WeakPolarHBondContact O-CE 3.36Å
425	H	97	Very high	96.7	Very high	9 Å²	9	50.9 Å²	50.9	4%	0.042	29%	0.293	C	S	.	.			trans	-75.2	155.7	161	-81.5	-53.4	0	0	0	110.7	T406 S441 N443 D445 T447	T406-H425 WeakPolarHBondContact CB-O 3.06Å; H425-S441 PolarHBondContact NE2-OG 3.44Å; H425-N443 HydrophobicContact CB-CB 4.49Å; H425-N443 VanDerWaalsContact CB-ND2 3.32Å; H425-N443 WeakPolarHBondContact CB-ND2 3.47Å; H425-N443 VanDerWaalsContact CE1-CB 3.42Å; H425-N443 WeakPolarHBondContact CE1-CB 3.4Å; H425-N443 VanDerWaalsContact CG-ND2 3.34Å; H425-N443 WeakPolarHBondContact ND1-CB 3.29Å; H425-D445 WeakPolarHBondContact CA-OD2 3.4Å; H425-D445 IonicContact CG-OD2 3.52Å; H425-D445 IonicContact ND1-OD1 3.37Å; H425-D445 IonicContact ND1-OD2 2.89Å; H425-D445 PolarHBondContact ND1-OD2 2.83Å; H425-D445 VanDerWaalsContact ND1-OD2 3.12Å; H425-T447 PolarHBondContact CE1-OG1 2.88Å; H425-T447 PolarHBondContact ND1-OG1 2.84Å; H425-T447 VanDerWaalsContact ND1-OG1 3.16Å
426	Q	96.8	Very high	96.5	Very high	165 Å²	165	53.4 Å²	53.4	77%	0.771	30%	0.304	S	S	*	.			trans	-116.7	-1.9	-175.2	-61.6	-176.7	-17.1	0	0	113.2	D445	Q426-D445 HydrophobicContact CB-CB 3.94Å; Q426-D445 PolarHBondContact N-OD2 3.42Å
427	S	97.4	Very high	96.5	Very high	44 Å²	44	54.3 Å²	54.3	31%	0.308	31%	0.305	S	S	.	.	S	Bend	trans	-149.9	-161.8	179	-160.5	0	0	0	0	111.3	N443	S427-N443 WeakPolarHBondContact CA-OD1 3.42Å; S427-N443 WeakPolarHBondContact CB-OD1 3.43Å; S427-N443 PolarHBondContact N-OD1 2.83Å; S427-N443 PolarHBondContact O-ND2 3.11Å; S427-N443 PolarHBondContact O-OD1 2.9Å
428	L	95.8	Very high	96.5	Very high	31 Å²	31	51.3 Å²	51.3	16%	0.162	29%	0.289	C	S	.	.			trans	-64.8	128.3	-179.2	175.1	138.5	0	0	0	112.6	Y390 L404 S430 N443 A444	Y390-L428 HydrophobicContact CD1-CD1 3.75Å; Y390-L428 HydrophobicContact CD2-CD1 3.41Å; Y390-L428 VanDerWaalsContact CD2-CD1 3.41Å; Y390-L428 HydrophobicContact CD2-CG 4.3Å; Y390-L428 HydrophobicContact CE1-CD1 3.76Å; Y390-L428 HydrophobicContact CE2-CD1 3.41Å; Y390-L428 VanDerWaalsContact CE2-CD1 3.41Å; Y390-L428 HydrophobicContact CG-CD1 3.57Å; Y390-L428 HydrophobicContact CG-CG 4.28Å; L404-L428 HydrophobicContact CB-CD1 4.4Å; L404-L428 HydrophobicContact CD1-CB 3.82Å; L404-L428 HydrophobicContact CD1-CD1 3.9Å; L404-L428 HydrophobicContact CD1-CG 4.44Å; L428-S430 PolarHBondContact O-N 2.89Å; L428-N443 WeakPolarHBondContact O-CA 3.17Å; L428-N443 VanDerWaalsContact O-CG 3.25Å; L428-N443 PolarHBondContact O-ND2 2.92Å; L428-N443 PolarHBondContact O-OD1 2.9Å; L428-A444 HydrophobicContact CB-CB 4.22Å; L428-A444 PolarHBondContact O-N 2.76Å
429	T	95.8	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	100	170.4	-57.7	0	0	0	0	110.3	S391 I408 M432 G442 N443	S391-T429 PolarHBondContact OG-O 3.04Å; I408-T429 HydrophobicContact CD1-CG2 3.95Å; I408-T429 HydrophobicContact CG1-CG2 4.2Å; T429-M432 HydrophobicContact CG2-CG 3.62Å; T429-M432 HydrophobicContact CG2-SD 3.96Å; T429-G442 CarbonylContact C-O 3.58Å; T429-N443 WeakPolarHBondContact CA-ND2 3.43Å; T429-N443 PolarHBondContact N-ND2 3.05Å; T429-N443 PolarHBondContact OG1-ND2 2.88Å; T429-N443 VanDerWaalsContact OG1-ND2 3.1Å
430	S	89.6	Confident	96.5	Very high	35 Å²	35	45.6 Å²	45.6	25%	0.245	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-37.4	-169.7	58.5	0	0	0	0	113.3	L428 G442 V472	L428-S430 PolarHBondContact O-N 2.89Å; S430-G442 PolarHBondContact N-O 2.94Å; S430-G442 PolarHBondContact OG-O 3.25Å; S430-V472 PolarHBondContact OG-O 2.88Å
431	G	88.6	Confident	96.5	Very high	16 Å²	16	43.4 Å²	43.4	17%	0.165	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	141	-177.1	0	0	0	0	0	111.1	G442	G431-G442 PolarHBondContact N-O 2.78Å; G431-G442 PolarHBondContact O-N 3.46Å
432	M	97.6	Very high	96.5	Very high	15 Å²	15	40.3 Å²	40.3	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	148.5	174.3	-66.3	-166.8	-58.7	0	0	109	S391 Q393 V400 G402 I408 T429 L439 V440	S391-M432 WeakPolarHBondContact O-CE 3.41Å; S391-M432 WeakPolarHBondContact OG-CE 3.23Å; Q393-M432 HydrophobicContact CG-CB 3.95Å; Q393-M432 PolarHBondContact NE2-O 2.84Å; V400-M432 HydrophobicContact CG1-CE 4.07Å; V400-M432 HydrophobicContact CG1-SD 4.02Å; V400-M432 WeakPolarHBondContact O-CE 3.41Å; G402-M432 VanDerWaalsContact N-CE 3.29Å; I408-M432 HydrophobicContact CD1-SD 4.15Å; I408-M432 HydrophobicContact CG1-SD 4.26Å; I408-M432 HydrophobicContact CG2-SD 3.95Å; T429-M432 HydrophobicContact CG2-CG 3.62Å; T429-M432 HydrophobicContact CG2-SD 3.96Å; M432-L439 HydrophobicContact CB-CD1 4.11Å; M432-L439 HydrophobicContact SD-CD1 4.27Å; M432-L439 HydrophobicContact SD-CD2 4.48Å; M432-V440 VanDerWaalsContact CA-O 3.31Å; M432-V440 WeakPolarHBondContact CA-O 3.47Å
433	E	98.3	Very high	96.5	Very high	44 Å²	44	40 Å²	40	21%	0.206	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	135.4	169.1	-169.2	172.9	-158.5	0	0	108.4	V440 L475 Q476 F477	E433-V440 PolarHBondContact N-O 3.08Å; E433-V440 PolarHBondContact O-N 3.3Å; E433-L475 HydrophobicContact CB-CD1 3.69Å; E433-Q476 PolarHBondContact OE1-NE2 3.13Å; E433-Q476 WeakPolarHBondContact OE2-CA 3.41Å; E433-Q476 PolarHBondContact OE2-NE2 3.21Å; E433-F477 HydrophobicContact CB-CD1 3.89Å; E433-F477 HydrophobicContact CB-CE1 3.75Å; E433-F477 HydrophobicContact CG-CD1 3.87Å; E433-F477 HydrophobicContact CG-CE1 3.65Å; E433-F477 WeakPolarHBondContact O-CE1 3.42Å; E433-F477 WeakPolarHBondContact OE2-CD1 3.38Å; E433-F477 PolarHBondContact OE2-N 2.79Å
434	L	98.1	Very high	96.5	Very high	23 Å²	23	37 Å²	37	12%	0.12	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.7	-177.8	175.5	63.1	0	0	0	108.5	Q393 D395 V400 I438 L439 I453	Q393-L434 HydrophobicContact CB-CB 3.75Å; Q393-L434 HydrophobicContact CB-CD2 4.3Å; Q393-L434 HydrophobicContact CG-CB 4.06Å; D395-L434 HydrophobicContact CB-CD2 3.94Å; V400-L434 HydrophobicContact CG2-CD2 4.02Å; L434-I438 WeakPolarHBondContact CA-O 3.35Å; L434-L439 HydrophobicContact CB-CD1 4.32Å; L434-L439 HydrophobicContact CD1-CB 4.29Å; L434-I453 HydrophobicContact CD1-CD1 3.76Å; L434-I453 HydrophobicContact CD1-CG1 4.35Å; L434-I453 HydrophobicContact CD1-CG2 4.25Å; L434-I453 HydrophobicContact CD2-CD1 4.11Å
435	K	96.9	Very high	96.5	Very high	111 Å²	111	36.1 Å²	36.1	48%	0.483	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	131	172.3	-169.9	-178.5	175	176.8	0	109.6	N437 I438 F477	K435-N437 PolarHBondContact O-N 2.9Å; K435-I438 PolarHBondContact N-O 3.31Å; K435-I438 WeakPolarHBondContact O-CA 3.26Å; K435-I438 WeakPolarHBondContact O-CB 3.4Å; K435-I438 PolarHBondContact O-N 2.92Å; K435-F477 HydrophobicContact CB-CE1 4.27Å; K435-F477 HydrophobicContact CB-CE2 4.14Å; K435-F477 HydrophobicContact CB-CZ 3.55Å
436	D	94.2	Very high	96.5	Very high	127 Å²	127	36.5 Å²	36.5	68%	0.679	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	38.3	175.4	-54.4	-39.6	0	0	0	113.8	I438	D436-I438 PolarHBondContact O-N 2.82Å
437	N	97.2	Very high	96.5	Very high	33 Å²	33	29.7 Å²	29.7	18%	0.176	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	6.4	-173.7	-44	-84.1	0	0	0	115.5	K435 I453 K454	K435-N437 PolarHBondContact O-N 2.9Å; N437-I453 HydrophobicContact CB-CD1 4.42Å; N437-I453 HydrophobicContact CB-CG1 3.81Å; N437-I453 WeakPolarHBondContact O-CG1 3.32Å; N437-I453 PolarHBondContact O-N 2.94Å; N437-K454 HydrophobicContact CB-CD 4.26Å; N437-K454 HydrophobicContact CB-CG 4.1Å; N437-K454 VanDerWaalsContact CG-CE 3.42Å; N437-K454 WeakPolarHBondContact ND2-CE 3.37Å; N437-K454 PolarHBondContact ND2-NZ 2.86Å; N437-K454 WeakPolarHBondContact OD1-CE 3.09Å
438	I	98.4	Very high	96.6	Very high	41 Å²	41	27.7 Å²	27.7	21%	0.21	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.9	170	-57.6	-57.2	0	0	0	108.7	L434 K435 D436 I450 W451 D452 L459 F477	L434-I438 WeakPolarHBondContact CA-O 3.35Å; K435-I438 PolarHBondContact N-O 3.31Å; K435-I438 WeakPolarHBondContact O-CA 3.26Å; K435-I438 WeakPolarHBondContact O-CB 3.4Å; K435-I438 PolarHBondContact O-N 2.92Å; D436-I438 PolarHBondContact O-N 2.82Å; I438-I450 HydrophobicContact CG2-CG2 3.68Å; I438-W451 WeakPolarHBondContact CA-O 3.31Å; I438-D452 HydrophobicContact CD1-CB 4.44Å; I438-L459 HydrophobicContact CD1-CD1 3.76Å; I438-F477 HydrophobicContact CB-CE2 4.41Å; I438-F477 HydrophobicContact CG2-CE2 4.14Å; I438-F477 HydrophobicContact CG2-CZ 4.43Å; I438-F477 WeakPolarHBondContact O-CZ 3.24Å
439	L	98.7	Very high	96.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.7	175.2	177.3	73.8	0	0	0	109.6	V400 I408 L422 M432 L434 I450 W451 I453	V400-L439 HydrophobicContact CG1-CD1 3.92Å; V400-L439 HydrophobicContact CG1-CD2 3.62Å; V400-L439 HydrophobicContact CG1-CG 4.41Å; I408-L439 HydrophobicContact CG2-CD2 3.92Å; L422-L439 HydrophobicContact CD1-CD2 4.03Å; M432-L439 HydrophobicContact CB-CD1 4.11Å; M432-L439 HydrophobicContact SD-CD1 4.27Å; M432-L439 HydrophobicContact SD-CD2 4.48Å; L434-L439 HydrophobicContact CB-CD1 4.32Å; L434-L439 HydrophobicContact CD1-CB 4.29Å; L439-I450 CarbonylContact O-C 3.5Å; L439-I450 WeakPolarHBondContact O-CA 3.37Å; L439-W451 HydrophobicContact CB-CB 4.25Å; L439-W451 HydrophobicContact CD2-CG 4.38Å; L439-W451 PolarHBondContact N-O 2.77Å; L439-W451 PolarHBondContact O-N 3.23Å; L439-I453 HydrophobicContact CB-CG2 3.59Å; L439-I453 HydrophobicContact CD2-CG2 4.33Å
440	V	98.7	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124	167.4	-173.5	0	0	0	0	109	M432 E433 V448 K449 I450 L475 F477 V482 L496	M432-V440 VanDerWaalsContact CA-O 3.31Å; M432-V440 WeakPolarHBondContact CA-O 3.47Å; E433-V440 PolarHBondContact N-O 3.08Å; E433-V440 PolarHBondContact O-N 3.3Å; V440-V448 HydrophobicContact CG1-CG1 3.54Å; V440-K449 WeakPolarHBondContact CA-O 3.2Å; V440-I450 HydrophobicContact CG2-CG1 4.28Å; V440-I450 HydrophobicContact CG2-CG2 4.43Å; V440-L475 HydrophobicContact CB-CD1 4.01Å; V440-L475 HydrophobicContact CG1-CD1 3.96Å; V440-L475 HydrophobicContact CG1-CD2 4.12Å; V440-F477 HydrophobicContact CB-CD1 4.01Å; V440-F477 HydrophobicContact CB-CE1 4.28Å; V440-F477 HydrophobicContact CB-CG 4.46Å; V440-F477 HydrophobicContact CG2-CB 4.17Å; V440-F477 HydrophobicContact CG2-CD1 3.56Å; V440-F477 HydrophobicContact CG2-CD2 3.94Å; V440-F477 HydrophobicContact CG2-CE1 3.79Å; V440-F477 HydrophobicContact CG2-CE2 4.15Å; V440-F477 HydrophobicContact CG2-CG 3.63Å; V440-F477 HydrophobicContact CG2-CZ 4.07Å; V440-V482 HydrophobicContact CG1-CG1 3.81Å; V440-V482 HydrophobicContact CG1-CG2 4.34Å; V440-V482 HydrophobicContact CG2-CG2 4.39Å; V440-L496 HydrophobicContact CG2-CD1 4.34Å
441	S	98.6	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.4	-177.4	60.9	0	0	0	0	111.7	I408 H425 V448 K449 W451	I408-S441 WeakPolarHBondContact CD1-OG 3.5Å; H425-S441 PolarHBondContact NE2-OG 3.44Å; S441-V448 CarbonylContact O-C 3.6Å; S441-V448 WeakPolarHBondContact O-CA 3.26Å; S441-V448 WeakPolarHBondContact O-CG1 3.34Å; S441-K449 PolarHBondContact N-O 2.91Å; S441-K449 PolarHBondContact O-N 3.3Å; S441-K449 PolarHBondContact OG-O 3.42Å; S441-W451 PolarHBondContact OG-NE1 3.32Å
442	G	97.9	Very high	97.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.5	174	0	0	0	0	0	110.8	T429 S430 G431	T429-G442 CarbonylContact C-O 3.58Å; S430-G442 PolarHBondContact N-O 2.94Å; S430-G442 PolarHBondContact OG-O 3.25Å; G431-G442 PolarHBondContact N-O 2.78Å; G431-G442 PolarHBondContact O-N 3.46Å
443	N	98.1	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	155.7	-169	-165	-75.9	0	0	0	112.9	H425 S427 L428 T429 D445 S446 T447 V472	H425-N443 HydrophobicContact CB-CB 4.49Å; H425-N443 VanDerWaalsContact CB-ND2 3.32Å; H425-N443 WeakPolarHBondContact CB-ND2 3.47Å; H425-N443 VanDerWaalsContact CE1-CB 3.42Å; H425-N443 WeakPolarHBondContact CE1-CB 3.4Å; H425-N443 VanDerWaalsContact CG-ND2 3.34Å; H425-N443 WeakPolarHBondContact ND1-CB 3.29Å; S427-N443 WeakPolarHBondContact CA-OD1 3.42Å; S427-N443 WeakPolarHBondContact CB-OD1 3.43Å; S427-N443 PolarHBondContact N-OD1 2.83Å; S427-N443 PolarHBondContact O-ND2 3.11Å; S427-N443 PolarHBondContact O-OD1 2.9Å; L428-N443 WeakPolarHBondContact O-CA 3.17Å; L428-N443 VanDerWaalsContact O-CG 3.25Å; L428-N443 PolarHBondContact O-ND2 2.92Å; L428-N443 PolarHBondContact O-OD1 2.9Å; T429-N443 WeakPolarHBondContact CA-ND2 3.43Å; T429-N443 PolarHBondContact N-ND2 3.05Å; T429-N443 PolarHBondContact OG1-ND2 2.88Å; T429-N443 VanDerWaalsContact OG1-ND2 3.1Å; N443-D445 WeakPolarHBondContact CB-OD1 3.35Å; N443-D445 PolarHBondContact O-N 3.16Å; N443-D445 WeakPolarHBondContact OD1-CB 3.45Å; N443-D445 PolarHBondContact OD1-N 2.99Å; N443-D445 PolarHBondContact OD1-OD1 3.39Å; N443-D445 PolarHBondContact OD1-OD2 3.18Å; N443-S446 PolarHBondContact O-N 3.08Å; N443-T447 PolarHBondContact N-O 3.28Å; N443-T447 VanDerWaalsContact N-O 3.13Å; N443-V472 PolarHBondContact O-N 3.26Å
444	A	97.5	Very high	97.8	Very high	38 Å²	38	30.7 Å²	30.7	31%	0.314	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.5	175.1	0	0	0	0	0	113.2	L428 S446 A471	L428-A444 HydrophobicContact CB-CB 4.22Å; L428-A444 PolarHBondContact O-N 2.76Å; A444-S446 PolarHBondContact O-N 2.94Å; A444-A471 HydrophobicContact CB-CB 4.11Å
445	D	96.2	Very high	97.7	Very high	27 Å²	27	33.5 Å²	33.5	14%	0.144	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	8.3	172.1	69.5	17.4	0	0	0	114.5	H425 Q426 N443 T447	H425-D445 WeakPolarHBondContact CA-OD2 3.4Å; H425-D445 IonicContact CG-OD2 3.52Å; H425-D445 IonicContact ND1-OD1 3.37Å; H425-D445 IonicContact ND1-OD2 2.89Å; H425-D445 PolarHBondContact ND1-OD2 2.83Å; H425-D445 VanDerWaalsContact ND1-OD2 3.12Å; Q426-D445 HydrophobicContact CB-CB 3.94Å; Q426-D445 PolarHBondContact N-OD2 3.42Å; N443-D445 WeakPolarHBondContact CB-OD1 3.35Å; N443-D445 PolarHBondContact O-N 3.16Å; N443-D445 WeakPolarHBondContact OD1-CB 3.45Å; N443-D445 PolarHBondContact OD1-N 2.99Å; N443-D445 PolarHBondContact OD1-OD1 3.39Å; N443-D445 PolarHBondContact OD1-OD2 3.18Å; D445-T447 VanDerWaalsContact C-N 3.26Å; D445-T447 VanDerWaalsContact CG-OG1 3.27Å; D445-T447 PolarHBondContact O-N 3.33Å; D445-T447 WeakPolarHBondContact OD1-CA 3.35Å; D445-T447 VanDerWaalsContact OD1-CB 3.25Å; D445-T447 WeakPolarHBondContact OD1-CB 3.28Å; D445-T447 WeakPolarHBondContact OD1-CG2 3.29Å; D445-T447 PolarHBondContact OD1-N 3.44Å; D445-T447 PolarHBondContact OD1-OG1 2.93Å; D445-T447 PolarHBondContact OD2-OG1 3.13Å
446	S	96.7	Very high	97.8	Very high	17 Å²	17	29.1 Å²	29.1	12%	0.119	16%	0.162	C	C	.	.	S	Bend	trans	71	3.7	-176	74.7	0	0	0	0	116.4	N443 A444 H468 S470	N443-S446 PolarHBondContact O-N 3.08Å; A444-S446 PolarHBondContact O-N 2.94Å; S446-H468 WeakPolarHBondContact CB-O 3.21Å; S446-H468 PolarHBondContact OG-O 2.85Å; S446-S470 VanDerWaalsContact CA-O 3.28Å; S446-S470 WeakPolarHBondContact CA-O 3.31Å; S446-S470 WeakPolarHBondContact CB-O 3.35Å
447	T	97.2	Very high	98	Very high	22 Å²	22	28.7 Å²	28.7	14%	0.135	16%	0.156	C	C	.	.			trans	-101.3	156	179.3	74	0	0	0	0	112.4	H425 N443 D445	H425-T447 PolarHBondContact CE1-OG1 2.88Å; H425-T447 PolarHBondContact ND1-OG1 2.84Å; H425-T447 VanDerWaalsContact ND1-OG1 3.16Å; N443-T447 PolarHBondContact N-O 3.28Å; N443-T447 VanDerWaalsContact N-O 3.13Å; D445-T447 VanDerWaalsContact C-N 3.26Å; D445-T447 VanDerWaalsContact CG-OG1 3.27Å; D445-T447 PolarHBondContact O-N 3.33Å; D445-T447 WeakPolarHBondContact OD1-CA 3.35Å; D445-T447 VanDerWaalsContact OD1-CB 3.25Å; D445-T447 WeakPolarHBondContact OD1-CB 3.28Å; D445-T447 WeakPolarHBondContact OD1-CG2 3.29Å; D445-T447 PolarHBondContact OD1-N 3.44Å; D445-T447 PolarHBondContact OD1-OG1 2.93Å; D445-T447 PolarHBondContact OD2-OG1 3.13Å
448	V	98.6	Very high	98	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.7	166.6	179.5	0	0	0	0	108.4	V440 S441 T461 L462 V472 T484	V440-V448 HydrophobicContact CG1-CG1 3.54Å; S441-V448 CarbonylContact O-C 3.6Å; S441-V448 WeakPolarHBondContact O-CA 3.26Å; S441-V448 WeakPolarHBondContact O-CG1 3.34Å; V448-T461 CarbonylContact O-C 3.58Å; V448-L462 HydrophobicContact CB-CB 4.07Å; V448-L462 HydrophobicContact CB-CD1 3.9Å; V448-L462 HydrophobicContact CB-CG 4.13Å; V448-L462 HydrophobicContact CG1-CD1 3.77Å; V448-L462 HydrophobicContact CG1-CG 4.29Å; V448-L462 PolarHBondContact O-N 2.89Å; V448-V472 HydrophobicContact CG2-CB 4.34Å; V448-V472 HydrophobicContact CG2-CG1 3.92Å; V448-V472 HydrophobicContact CG2-CG2 3.76Å; V448-T484 HydrophobicContact CB-CG2 4.39Å; V448-T484 HydrophobicContact CG1-CG2 4.33Å; V448-T484 HydrophobicContact CG2-CG2 3.72Å
449	K	98.6	Very high	98	Very high	25 Å²	25	30.5 Å²	30.5	11%	0.109	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145	178.8	-69.4	177.1	179.6	-75.7	0	110.8	G424 V440 S441 W451 Q460 T461	G424-K449 VanDerWaalsContact O-CE 3.28Å; G424-K449 WeakPolarHBondContact O-CE 3.36Å; V440-K449 WeakPolarHBondContact CA-O 3.2Å; S441-K449 PolarHBondContact N-O 2.91Å; S441-K449 PolarHBondContact O-N 3.3Å; S441-K449 PolarHBondContact OG-O 3.42Å; K449-W451 HydrophobicContact CB-CD2 4.48Å; K449-W451 HydrophobicContact CB-CZ2 3.57Å; K449-W451 VanDerWaalsContact CB-NE1 3.35Å; K449-W451 HydrophobicContact CD-CH2 3.75Å; K449-W451 HydrophobicContact CD-CZ2 3.31Å; K449-W451 HydrophobicContact CG-CZ2 4.06Å; K449-Q460 WeakPolarHBondContact CA-O 3.42Å; K449-T461 HydrophobicContact CG-CG2 4.16Å; K449-T461 PolarHBondContact NZ-OG1 3.21Å
450	I	98.7	Very high	98	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.2	176.4	-53.1	174.3	0	0	0	107.1	I438 L439 V440 C458 L459 Q460 L462 V482 L496	I438-I450 HydrophobicContact CG2-CG2 3.68Å; L439-I450 CarbonylContact O-C 3.5Å; L439-I450 WeakPolarHBondContact O-CA 3.37Å; V440-I450 HydrophobicContact CG2-CG1 4.28Å; V440-I450 HydrophobicContact CG2-CG2 4.43Å; I450-C458 CarbonylContact O-C 3.55Å; I450-L459 HydrophobicContact CB-CB 4.48Å; I450-L459 HydrophobicContact CG2-CB 4.33Å; I450-L459 HydrophobicContact CG2-CD1 4.22Å; I450-L459 PolarHBondContact O-N 3.31Å; I450-Q460 HydrophobicContact CB-CB 4.11Å; I450-Q460 HydrophobicContact CD1-CB 3.93Å; I450-Q460 HydrophobicContact CD1-CG 4.26Å; I450-Q460 HydrophobicContact CG1-CB 4.2Å; I450-Q460 PolarHBondContact N-O 3.14Å; I450-Q460 PolarHBondContact O-N 2.92Å; I450-L462 HydrophobicContact CD1-CD2 4.07Å; I450-V482 HydrophobicContact CD1-CG2 3.95Å; I450-L496 HydrophobicContact CD1-CD1 3.73Å; I450-L496 HydrophobicContact CD1-CG 4.34Å; I450-L496 HydrophobicContact CG1-CD1 4.5Å; I450-L496 HydrophobicContact CG2-CD1 4.36Å
451	W	98.7	Very high	97.9	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.027	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.9	-174.5	-42.2	80.6	0	0	0	110.7	L422 T423 I438 L439 S441 K449 Q457 C458	L422-W451 HydrophobicContact CB-CD2 4.34Å; L422-W451 HydrophobicContact CB-CE3 3.95Å; L422-W451 HydrophobicContact CB-CH2 4.07Å; L422-W451 HydrophobicContact CB-CZ2 4.42Å; L422-W451 HydrophobicContact CB-CZ3 3.82Å; L422-W451 HydrophobicContact CD1-CB 4.14Å; L422-W451 HydrophobicContact CD1-CD2 3.92Å; L422-W451 HydrophobicContact CD1-CE3 4.07Å; L422-W451 HydrophobicContact CD1-CG 3.96Å; L422-W451 HydrophobicContact CD2-CE3 4.15Å; L422-W451 HydrophobicContact CG-CE3 4.28Å; T423-W451 WeakPolarHBondContact O-CH2 3.38Å; I438-W451 WeakPolarHBondContact CA-O 3.31Å; L439-W451 HydrophobicContact CB-CB 4.25Å; L439-W451 HydrophobicContact CD2-CG 4.38Å; L439-W451 PolarHBondContact N-O 2.77Å; L439-W451 PolarHBondContact O-N 3.23Å; S441-W451 PolarHBondContact OG-NE1 3.32Å; K449-W451 HydrophobicContact CB-CD2 4.48Å; K449-W451 HydrophobicContact CB-CZ2 3.57Å; K449-W451 VanDerWaalsContact CB-NE1 3.35Å; K449-W451 HydrophobicContact CD-CH2 3.75Å; K449-W451 HydrophobicContact CD-CZ2 3.31Å; K449-W451 HydrophobicContact CG-CZ2 4.06Å; W451-Q457 VanDerWaalsContact CA-O 3.28Å; W451-Q457 WeakPolarHBondContact CA-O 3.32Å; W451-C458 HydrophobicContact CD2-CB 4.41Å; W451-C458 HydrophobicContact CE3-CB 3.63Å; W451-C458 HydrophobicContact CH2-CB 4.27Å; W451-C458 HydrophobicContact CZ3-CB 3.54Å
452	D	98.4	Very high	97.9	Very high	36 Å²	36	34.9 Å²	34.9	19%	0.193	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	114.9	158.9	174.1	-7.6	0	0	0	107.9	I438 K454 T455 G456 Q457 L459	I438-D452 HydrophobicContact CD1-CB 4.44Å; D452-K454 VanDerWaalsContact C-N 3.28Å; D452-K454 PolarHBondContact O-N 3.17Å; D452-K454 WeakPolarHBondContact OD1-CB 3.28Å; D452-K454 PolarHBondContact OD1-N 3.22Å; D452-T455 WeakPolarHBondContact CB-OG1 3.48Å; D452-T455 PolarHBondContact OD1-N 3Å; D452-T455 WeakPolarHBondContact OD2-CG2 3.47Å; D452-T455 PolarHBondContact OD2-OG1 3.48Å; D452-T455 VanDerWaalsContact OD2-OG1 3.08Å; D452-G456 VanDerWaalsContact O-CA 3.32Å; D452-G456 WeakPolarHBondContact O-CA 3.32Å; D452-G456 PolarHBondContact O-N 3.3Å; D452-Q457 PolarHBondContact N-O 3.26Å; D452-Q457 PolarHBondContact O-N 3.35Å; D452-L459 HydrophobicContact CB-CD1 4.19Å; D452-L459 HydrophobicContact CB-CD2 4.18Å; D452-L459 HydrophobicContact CB-CG 4.23Å
453	I	98.3	Very high	97.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-14.1	-176.6	70.3	165.8	0	0	0	113.3	H398 V400 V410 H420 L434 N437 L439	H398-I453 HydrophobicContact CB-CD1 3.82Å; V400-I453 HydrophobicContact CG2-CD1 4.37Å; V400-I453 HydrophobicContact CG2-CG2 4.46Å; V410-I453 HydrophobicContact CG1-CB 4.18Å; V410-I453 HydrophobicContact CG1-CD1 4.42Å; V410-I453 HydrophobicContact CG2-CB 4.14Å; V410-I453 HydrophobicContact CG2-CG2 4.22Å; H420-I453 PolarHBondContact CD2-O 2.94Å; L434-I453 HydrophobicContact CD1-CD1 3.76Å; L434-I453 HydrophobicContact CD1-CG1 4.35Å; L434-I453 HydrophobicContact CD1-CG2 4.25Å; L434-I453 HydrophobicContact CD2-CD1 4.11Å; N437-I453 HydrophobicContact CB-CD1 4.42Å; N437-I453 HydrophobicContact CB-CG1 3.81Å; N437-I453 WeakPolarHBondContact O-CG1 3.32Å; N437-I453 PolarHBondContact O-N 2.94Å; L439-I453 HydrophobicContact CB-CG2 3.59Å; L439-I453 HydrophobicContact CD2-CG2 4.33Å
454	K	97.4	Very high	97.1	Very high	133 Å²	133	42.1 Å²	42.1	58%	0.578	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-46.1	174.8	-72.4	177.8	167.1	171.1	0	110.4	H420 N437 D452	H420-K454 PolarHBondContact NE2-O 2.63Å; N437-K454 HydrophobicContact CB-CD 4.26Å; N437-K454 HydrophobicContact CB-CG 4.1Å; N437-K454 VanDerWaalsContact CG-CE 3.42Å; N437-K454 WeakPolarHBondContact ND2-CE 3.37Å; N437-K454 PolarHBondContact ND2-NZ 2.86Å; N437-K454 WeakPolarHBondContact OD1-CE 3.09Å; D452-K454 VanDerWaalsContact C-N 3.28Å; D452-K454 PolarHBondContact O-N 3.17Å; D452-K454 WeakPolarHBondContact OD1-CB 3.28Å; D452-K454 PolarHBondContact OD1-N 3.22Å
455	T	97.8	Very high	97.1	Very high	81 Å²	81	46.1 Å²	46.1	50%	0.497	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-21.6	-177.7	59.9	0	0	0	0	113.2	D452 Q457	D452-T455 WeakPolarHBondContact CB-OG1 3.48Å; D452-T455 PolarHBondContact OD1-N 3Å; D452-T455 WeakPolarHBondContact OD2-CG2 3.47Å; D452-T455 PolarHBondContact OD2-OG1 3.48Å; D452-T455 VanDerWaalsContact OD2-OG1 3.08Å; T455-Q457 PolarHBondContact O-N 2.81Å; T455-Q457 WeakPolarHBondContact OG1-CB 3.4Å; T455-Q457 PolarHBondContact OG1-N 3.45Å
456	G	97.4	Very high	97.1	Very high	19 Å²	19	49.7 Å²	49.7	20%	0.196	27%	0.274	C	S	.	.			trans	77.3	5.7	-171.7	0	0	0	0	0	113.3	D452	D452-G456 VanDerWaalsContact O-CA 3.32Å; D452-G456 WeakPolarHBondContact O-CA 3.32Å; D452-G456 PolarHBondContact O-N 3.3Å
457	Q	98.1	Very high	97.1	Very high	118 Å²	118	53.2 Å²	53.2	55%	0.551	29%	0.287	S	S	*	.			trans	-74.9	131.7	-176.6	-173	178.7	1	0	0	111.3	W451 D452 T455 L459	W451-Q457 VanDerWaalsContact CA-O 3.28Å; W451-Q457 WeakPolarHBondContact CA-O 3.32Å; D452-Q457 PolarHBondContact N-O 3.26Å; D452-Q457 PolarHBondContact O-N 3.35Å; T455-Q457 PolarHBondContact O-N 2.81Å; T455-Q457 WeakPolarHBondContact OG1-CB 3.4Å; T455-Q457 PolarHBondContact OG1-N 3.45Å; Q457-L459 HydrophobicContact CG-CD2 4.34Å; Q457-L459 PolarHBondContact O-N 2.75Å
458	C	98.3	Very high	97.1	Very high	47 Å²	47	52.2 Å²	52.2	32%	0.318	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	100.3	162.7	-173.7	0	0	0	0	108.5	I450 W451 Q460	I450-C458 CarbonylContact O-C 3.55Å; W451-C458 HydrophobicContact CD2-CB 4.41Å; W451-C458 HydrophobicContact CE3-CB 3.63Å; W451-C458 HydrophobicContact CH2-CB 4.27Å; W451-C458 HydrophobicContact CZ3-CB 3.54Å; C458-Q460 PolarHBondContact SG-O 2.91Å
459	L	98	Very high	97	Very high	66 Å²	66	58.8 Å²	58.8	35%	0.346	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-45.4	179.3	-60.2	179.8	0	0	0	111.2	I438 I450 D452 Q457	I438-L459 HydrophobicContact CD1-CD1 3.76Å; I450-L459 HydrophobicContact CB-CB 4.48Å; I450-L459 HydrophobicContact CG2-CB 4.33Å; I450-L459 HydrophobicContact CG2-CD1 4.22Å; I450-L459 PolarHBondContact O-N 3.31Å; D452-L459 HydrophobicContact CB-CD1 4.19Å; D452-L459 HydrophobicContact CB-CD2 4.18Å; D452-L459 HydrophobicContact CB-CG 4.23Å; Q457-L459 HydrophobicContact CG-CD2 4.34Å; Q457-L459 PolarHBondContact O-N 2.75Å
460	Q	98.2	Very high	96.9	Very high	56 Å²	56	60 Å²	60	26%	0.262	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	152.6	-177.7	-60.6	-61.8	-7	0	0	111.9	K449 I450 C458 L462 K497 T498	K449-Q460 WeakPolarHBondContact CA-O 3.42Å; I450-Q460 HydrophobicContact CB-CB 4.11Å; I450-Q460 HydrophobicContact CD1-CB 3.93Å; I450-Q460 HydrophobicContact CD1-CG 4.26Å; I450-Q460 HydrophobicContact CG1-CB 4.2Å; I450-Q460 PolarHBondContact N-O 3.14Å; I450-Q460 PolarHBondContact O-N 2.92Å; C458-Q460 PolarHBondContact SG-O 2.91Å; Q460-L462 HydrophobicContact CB-CD2 4.49Å; Q460-K497 PolarHBondContact NE2-O 3.49Å; Q460-T498 PolarHBondContact NE2-O 2.75Å; Q460-T498 PolarHBondContact OE1-O 2.71Å
461	T	98.1	Very high	96.9	Very high	32 Å²	32	60.9 Å²	60.9	20%	0.196	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	114.9	163.6	-62.1	0	0	0	0	107.9	V448 K449 Q463	V448-T461 CarbonylContact O-C 3.58Å; K449-T461 HydrophobicContact CG-CG2 4.16Å; K449-T461 PolarHBondContact NZ-OG1 3.21Å; T461-Q463 HydrophobicContact CG2-CB 4.21Å; T461-Q463 HydrophobicContact CG2-CG 4.06Å; T461-Q463 PolarHBondContact O-N 3.15Å; T461-Q463 VanDerWaalsContact O-N 3.08Å
462	L	96.9	Very high	96.8	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.021	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	96.9	179.1	-50.1	-173.5	0	0	0	108.6	V448 I450 Q460 V482 W494 G499	V448-L462 HydrophobicContact CB-CB 4.07Å; V448-L462 HydrophobicContact CB-CD1 3.9Å; V448-L462 HydrophobicContact CB-CG 4.13Å; V448-L462 HydrophobicContact CG1-CD1 3.77Å; V448-L462 HydrophobicContact CG1-CG 4.29Å; V448-L462 PolarHBondContact O-N 2.89Å; I450-L462 HydrophobicContact CD1-CD2 4.07Å; Q460-L462 HydrophobicContact CB-CD2 4.49Å; L462-V482 HydrophobicContact CD1-CB 3.92Å; L462-V482 HydrophobicContact CD1-CG1 3.99Å; L462-V482 HydrophobicContact CD1-CG2 4.15Å; L462-W494 HydrophobicContact CB-CD2 3.95Å; L462-W494 HydrophobicContact CB-CE3 3.81Å; L462-W494 HydrophobicContact CB-CH2 4.41Å; L462-W494 HydrophobicContact CB-CZ3 4.05Å; L462-W494 HydrophobicContact CD1-CB 3.87Å; L462-W494 HydrophobicContact CD1-CD2 4.05Å; L462-W494 HydrophobicContact CD1-CG 3.71Å; L462-W494 HydrophobicContact CD2-CB 4.23Å; L462-W494 HydrophobicContact CD2-CD2 4.5Å; L462-W494 HydrophobicContact CD2-CE3 4.26Å; L462-W494 HydrophobicContact CG-CD2 4.39Å; L462-W494 HydrophobicContact CG-CE3 4.43Å; L462-W494 HydrophobicContact CG-CG 4.47Å; L462-G499 VanDerWaalsContact CD2-CA 3.48Å; L462-G499 WeakPolarHBondContact CD2-O 3.12Å
463	Q	88.6	Confident	96.8	Very high	115 Å²	115	60.3 Å²	60.3	54%	0.537	33%	0.329	S	S	.	.			trans	-145.4	-160.2	-175.6	65.3	-175.7	-8.7	0	0	110.5	T461	T461-Q463 HydrophobicContact CG2-CB 4.21Å; T461-Q463 HydrophobicContact CG2-CG 4.06Å; T461-Q463 PolarHBondContact O-N 3.15Å; T461-Q463 VanDerWaalsContact O-N 3.08Å
464	G	92.6	Very high	96.8	Very high	36 Å²	36	60.7 Å²	60.7	37%	0.371	33%	0.332	S	S	.	.	S	Bend	trans	101.6	-165.6	178.4	0	0	0	0	0	113.2	H466 K467	G464-H466 PolarHBondContact O-N 3.47Å; G464-H466 VanDerWaalsContact O-N 3.12Å; G464-K467 WeakPolarHBondContact O-CB 3.28Å; G464-K467 WeakPolarHBondContact O-CG 3.37Å; G464-K467 PolarHBondContact O-N 3.36Å; G464-K467 VanDerWaalsContact O-N 3.1Å
465	P	95.6	Very high	96.8	Very high	123 Å²	123	54.7 Å²	54.7	80%	0.799	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-28.4	-172.8	-25.7	34.8	0	0	0	114.1
466	H	96.6	Very high	96.9	Very high	101 Å²	101	52.5 Å²	52.5	47%	0.468	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	18.3	-177.9	-59.6	-62.9	0	0	0	113.8	G464 K492 F501	G464-H466 PolarHBondContact O-N 3.47Å; G464-H466 VanDerWaalsContact O-N 3.12Å; H466-K492 WeakPolarHBondContact O-CD 3.28Å; H466-K492 WeakPolarHBondContact O-CE 3.37Å; H466-K492 PolarHBondContact O-NZ 2.82Å; H466-F501 HydrophobicContact CB-CB 4.11Å; H466-F501 HydrophobicContact CB-CD1 3.49Å; H466-F501 VanDerWaalsContact CB-CD1 3.49Å; H466-F501 HydrophobicContact CB-CD2 3.8Å; H466-F501 HydrophobicContact CB-CE1 3.68Å; H466-F501 HydrophobicContact CB-CE2 3.99Å; H466-F501 HydrophobicContact CB-CG 3.52Å; H466-F501 HydrophobicContact CB-CZ 3.9Å; H466-F501 AromaticContact CD2-CD1 3.35Å; H466-F501 WeakPolarHBondContact CD2-CD1 3.42Å; H466-F501 AromaticContact CD2-CE1 3.67Å; H466-F501 AromaticContact CG-CD1 3.5Å; H466-F501 AromaticContact CG-CE1 3.53Å
467	K	96.1	Very high	96.9	Very high	91 Å²	91	52.8 Å²	52.8	40%	0.396	29%	0.286	S	S	.	.			trans	-56	160.4	175.3	70.1	171.3	-171.8	172.4	0	112.2	G464 Q469	G464-K467 WeakPolarHBondContact O-CB 3.28Å; G464-K467 WeakPolarHBondContact O-CG 3.37Å; G464-K467 PolarHBondContact O-N 3.36Å; G464-K467 VanDerWaalsContact O-N 3.1Å; K467-Q469 PolarHBondContact O-NE2 3.15Å
468	H	97.9	Very high	96.8	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	27%	0.274	C	S	.	.			trans	-62	146.9	168.4	-76.6	-63.5	0	0	0	110.6	S446 T484 S486 D488 T490 K492	S446-H468 WeakPolarHBondContact CB-O 3.21Å; S446-H468 PolarHBondContact OG-O 2.85Å; H468-T484 WeakPolarHBondContact NE2-CB 3.36Å; H468-T484 PolarHBondContact NE2-OG1 2.88Å; H468-S486 VanDerWaalsContact CE1-CB 3.5Å; H468-S486 WeakPolarHBondContact CE1-CB 3.28Å; H468-S486 WeakPolarHBondContact ND1-CB 3.49Å; H468-D488 WeakPolarHBondContact CA-OD2 3.46Å; H468-D488 WeakPolarHBondContact CB-OD2 3.24Å; H468-D488 IonicContact CG-OD2 3.76Å; H468-D488 IonicContact ND1-OD1 3.76Å; H468-D488 PolarHBondContact ND1-OD1 2.91Å; H468-D488 IonicContact ND1-OD2 3.12Å; H468-D488 PolarHBondContact ND1-OD2 2.89Å; H468-T490 PolarHBondContact CE1-OG1 3.34Å; H468-T490 PolarHBondContact ND1-OG1 3.04Å; H468-K492 VanDerWaalsContact CE1-CD 3.48Å; H468-K492 WeakPolarHBondContact CE1-CD 3.24Å; H468-K492 WeakPolarHBondContact ND1-CE 3.39Å
469	Q	96.9	Very high	96.5	Very high	140 Å²	140	51.9 Å²	51.9	65%	0.654	28%	0.278	S	S	*	.	S	Bend	trans	-94.9	-9.1	179.7	-56.3	-56.2	-50.7	0	0	112.5	K467 D488	K467-Q469 PolarHBondContact O-NE2 3.15Å; Q469-D488 HydrophobicContact CB-CB 4.04Å; Q469-D488 PolarHBondContact N-OD2 3.33Å
470	S	96.6	Very high	96.2	Very high	49 Å²	49	49.6 Å²	49.6	34%	0.343	27%	0.266	S	S	.	.	S	Bend	trans	-145.2	-175.2	-179.7	-166.3	0	0	0	0	110.4	S446 V472 S486	S446-S470 VanDerWaalsContact CA-O 3.28Å; S446-S470 WeakPolarHBondContact CA-O 3.31Å; S446-S470 WeakPolarHBondContact CB-O 3.35Å; S470-V472 PolarHBondContact O-N 2.99Å; S470-S486 PolarHBondContact O-OG 3.49Å
471	A	97.4	Very high	96.2	Very high	21 Å²	21	47.1 Å²	47.1	17%	0.174	25%	0.254	C	S	.	.			trans	-51.4	137.2	-179.6	0	0	0	0	0	112.5	A444 S486 D487	A444-A471 HydrophobicContact CB-CB 4.11Å; A471-S486 VanDerWaalsContact O-CA 3.28Å; A471-S486 WeakPolarHBondContact O-CA 3.48Å; A471-S486 VanDerWaalsContact O-CB 3.29Å; A471-S486 WeakPolarHBondContact O-CB 3.4Å; A471-S486 PolarHBondContact O-OG 2.73Å; A471-D487 PolarHBondContact O-N 3.46Å
472	V	98.3	Very high	96.2	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.2	169.7	-178.9	0	0	0	0	107.9	S430 N443 V448 S470 S485	S430-V472 PolarHBondContact OG-O 2.88Å; N443-V472 PolarHBondContact O-N 3.26Å; V448-V472 HydrophobicContact CG2-CB 4.34Å; V448-V472 HydrophobicContact CG2-CG1 3.92Å; V448-V472 HydrophobicContact CG2-CG2 3.76Å; S470-V472 PolarHBondContact O-N 2.99Å; V472-S485 CarbonylContact C-O 3.56Å; V472-S485 WeakPolarHBondContact CA-O 3.42Å; V472-S485 WeakPolarHBondContact CG1-O 3.49Å
473	T	97.8	Very high	96.3	Very high	28 Å²	28	46 Å²	46	17%	0.172	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-34.1	-172.9	56.3	0	0	0	0	112.5	S485 D487 V517 W518	T473-S485 PolarHBondContact N-O 3.48Å; T473-S485 VanDerWaalsContact OG1-C 3.28Å; T473-S485 PolarHBondContact OG1-O 2.84Å; T473-S485 VanDerWaalsContact OG1-O 3.12Å; T473-S485 PolarHBondContact OG1-OG 3.1Å; T473-D487 WeakPolarHBondContact CG2-OD1 3.21Å; T473-V517 WeakPolarHBondContact CB-O 3.23Å; T473-V517 PolarHBondContact OG1-O 3.31Å; T473-W518 WeakPolarHBondContact CB-O 3.45Å; T473-W518 PolarHBondContact OG1-O 3.12Å
474	C	98.2	Very high	96.7	Very high	9 Å²	9	40.5 Å²	40.5	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	159.3	-178.5	-166.8	0	0	0	0	110.5	S485 R519 I520	C474-S485 VanDerWaalsContact CB-OG 3.31Å; C474-S485 WeakPolarHBondContact CB-OG 3.35Å; C474-S485 PolarHBondContact N-OG 3.32Å; C474-S485 PolarHBondContact O-N 2.88Å; C474-S485 PolarHBondContact O-OG 3.16Å; C474-R519 HydrophobicContact CB-CB 4.44Å; C474-I520 HydrophobicContact CB-CG1 4.1Å
475	L	98.3	Very high	97	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	153.3	176	63.8	90.3	0	0	0	110.7	E433 V440 I483 T484	E433-L475 HydrophobicContact CB-CD1 3.69Å; V440-L475 HydrophobicContact CB-CD1 4.01Å; V440-L475 HydrophobicContact CG1-CD1 3.96Å; V440-L475 HydrophobicContact CG1-CD2 4.12Å; L475-I483 CarbonylContact C-O 3.51Å; L475-I483 WeakPolarHBondContact CA-O 3.45Å; L475-T484 HydrophobicContact CB-CG2 4.42Å
476	Q	98.4	Very high	97.1	Very high	35 Å²	35	33 Å²	33	16%	0.164	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	145.2	167.4	-77.3	-76.6	-92.3	0	0	109.1	E433 I483 A522	E433-Q476 PolarHBondContact OE1-NE2 3.13Å; E433-Q476 WeakPolarHBondContact OE2-CA 3.41Å; E433-Q476 PolarHBondContact OE2-NE2 3.21Å; Q476-I483 PolarHBondContact N-O 3.24Å; Q476-I483 PolarHBondContact O-N 2.97Å; Q476-A522 HydrophobicContact CB-CB 4.49Å
477	F	98	Very high	97.2	Very high	25 Å²	25	31.2 Å²	31.2	11%	0.11	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	159.1	173.6	83	-78.6	0	0	0	114	E433 K435 I438 V440 F481 V482 L496	E433-F477 HydrophobicContact CB-CD1 3.89Å; E433-F477 HydrophobicContact CB-CE1 3.75Å; E433-F477 HydrophobicContact CG-CD1 3.87Å; E433-F477 HydrophobicContact CG-CE1 3.65Å; E433-F477 WeakPolarHBondContact O-CE1 3.42Å; E433-F477 WeakPolarHBondContact OE2-CD1 3.38Å; E433-F477 PolarHBondContact OE2-N 2.79Å; K435-F477 HydrophobicContact CB-CE1 4.27Å; K435-F477 HydrophobicContact CB-CE2 4.14Å; K435-F477 HydrophobicContact CB-CZ 3.55Å; I438-F477 HydrophobicContact CB-CE2 4.41Å; I438-F477 HydrophobicContact CG2-CE2 4.14Å; I438-F477 HydrophobicContact CG2-CZ 4.43Å; I438-F477 WeakPolarHBondContact O-CZ 3.24Å; V440-F477 HydrophobicContact CB-CD1 4.01Å; V440-F477 HydrophobicContact CB-CE1 4.28Å; V440-F477 HydrophobicContact CB-CG 4.46Å; V440-F477 HydrophobicContact CG2-CB 4.17Å; V440-F477 HydrophobicContact CG2-CD1 3.56Å; V440-F477 HydrophobicContact CG2-CD2 3.94Å; V440-F477 HydrophobicContact CG2-CE1 3.79Å; V440-F477 HydrophobicContact CG2-CE2 4.15Å; V440-F477 HydrophobicContact CG2-CG 3.63Å; V440-F477 HydrophobicContact CG2-CZ 4.07Å; F477-F481 VanDerWaalsContact CA-O 3.25Å; F477-F481 WeakPolarHBondContact CA-O 3.15Å; F477-F481 VanDerWaalsContact CB-O 3.31Å; F477-F481 WeakPolarHBondContact CB-O 3.2Å; F477-V482 HydrophobicContact CB-CB 4.38Å; F477-V482 HydrophobicContact CB-CG1 4.39Å; F477-V482 HydrophobicContact CB-CG2 4.02Å; F477-L496 HydrophobicContact CD2-CD1 3.86Å; F477-L496 HydrophobicContact CD2-CD2 4.5Å
478	N	95.3	Very high	97.2	Very high	55 Å²	55	27.8 Å²	27.8	29%	0.294	15%	0.146	S	C	.	.			trans	-134.3	-176.3	166.3	67.2	27.1	0	0	0	108.5	N480 F481 L496	N478-N480 PolarHBondContact O-N 2.82Å; N478-N480 WeakPolarHBondContact OD1-CA 3.37Å; N478-N480 WeakPolarHBondContact OD1-CB 3.38Å; N478-N480 PolarHBondContact OD1-N 3.32Å; N478-F481 PolarHBondContact N-O 3.38Å; N478-F481 PolarHBondContact O-N 3.05Å; N478-F481 PolarHBondContact OD1-N 2.58Å; N478-L496 WeakPolarHBondContact O-CD2 3.39Å
479	K	92.3	Very high	97.2	Very high	92 Å²	92	27.7 Å²	27.7	40%	0.4	15%	0.145	S	C	.	.	S	Bend	trans	-58.4	-17.1	-179	66.3	175.7	-165.1	168.3	0	115.6	E173	E173-K479 VanDerWaalsContact CA-NZ 3.26Å; E173-K479 PolarHBondContact O-NZ 3.43Å; E173-K479 IonicContact OE2-NZ 3.96Å; E173-K479 PolarHBondContact OE2-NZ 3.3Å
480	N	92.7	Very high	97.3	Very high	18 Å²	18	21.7 Å²	21.7	10%	0.096	12%	0.118	C	C	.	.	S	Bend	trans	-104.6	-38.7	-176.1	-68.5	-25.9	0	0	0	112	D207 N478 L496	D207-N480 PolarHBondContact OD2-ND2 2.9Å; N478-N480 PolarHBondContact O-N 2.82Å; N478-N480 WeakPolarHBondContact OD1-CA 3.37Å; N478-N480 WeakPolarHBondContact OD1-CB 3.38Å; N478-N480 PolarHBondContact OD1-N 3.32Å; N480-L496 PolarHBondContact O-N 3.2Å
481	F	96.7	Very high	97.4	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.018	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	156.2	-166	-47	-71.5	0	0	0	114.2	D207 W210 R211 F477 N478 L493 W494 I502	D207-F481 HydrophobicContact CB-CE2 4.48Å; D207-F481 HydrophobicContact CB-CZ 4.48Å; W210-F481 HydrophobicContact CB-CE2 4.3Å; W210-F481 HydrophobicContact CB-CZ 4.42Å; R211-F481 HydrophobicContact CG-CE1 3.37Å; R211-F481 HydrophobicContact CG-CZ 3.53Å; F477-F481 VanDerWaalsContact CA-O 3.25Å; F477-F481 WeakPolarHBondContact CA-O 3.15Å; F477-F481 VanDerWaalsContact CB-O 3.31Å; F477-F481 WeakPolarHBondContact CB-O 3.2Å; N478-F481 PolarHBondContact N-O 3.38Å; N478-F481 PolarHBondContact O-N 3.05Å; N478-F481 PolarHBondContact OD1-N 2.58Å; F481-L493 HydrophobicContact CB-CD1 3.65Å; F481-L493 HydrophobicContact CB-CG 4.49Å; F481-L493 HydrophobicContact CD1-CD1 4.18Å; F481-L493 HydrophobicContact CD1-CD2 4.34Å; F481-L493 HydrophobicContact CD1-CG 4.26Å; F481-L493 HydrophobicContact CE1-CD2 4.4Å; F481-L493 HydrophobicContact CG-CD1 3.9Å; F481-L493 HydrophobicContact CG-CG 4.48Å; F481-W494 WeakPolarHBondContact CA-O 3.41Å; F481-W494 WeakPolarHBondContact CB-O 3.49Å; F481-I502 HydrophobicContact CD1-CD1 3.6Å; F481-I502 HydrophobicContact CE1-CD1 3.71Å
482	V	98.6	Very high	97.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.1	160.7	-171.3	0	0	0	0	109.1	V440 I450 L462 F477 T484 W494 L496	V440-V482 HydrophobicContact CG1-CG1 3.81Å; V440-V482 HydrophobicContact CG1-CG2 4.34Å; V440-V482 HydrophobicContact CG2-CG2 4.39Å; I450-V482 HydrophobicContact CD1-CG2 3.95Å; L462-V482 HydrophobicContact CD1-CB 3.92Å; L462-V482 HydrophobicContact CD1-CG1 3.99Å; L462-V482 HydrophobicContact CD1-CG2 4.15Å; F477-V482 HydrophobicContact CB-CB 4.38Å; F477-V482 HydrophobicContact CB-CG1 4.39Å; F477-V482 HydrophobicContact CB-CG2 4.02Å; V482-T484 HydrophobicContact CG1-CG2 3.68Å; V482-W494 HydrophobicContact CB-CB 4.32Å; V482-W494 PolarHBondContact N-O 3.17Å; V482-W494 PolarHBondContact O-N 2.96Å; V482-L496 HydrophobicContact CG2-CD1 3.48Å; V482-L496 VanDerWaalsContact CG2-CD1 3.48Å
483	I	98.7	Very high	97.5	Very high	12 Å²	12	18.7 Å²	18.7	6%	0.062	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.5	171.7	-50.9	170.1	0	0	0	107.2	W210 L475 Q476 V491 K492 L493 L505 I520 A522 L527	W210-I483 HydrophobicContact CE3-CD1 4.39Å; W210-I483 HydrophobicContact CH2-CD1 3.77Å; W210-I483 HydrophobicContact CZ3-CD1 3.54Å; W210-I483 HydrophobicContact CZ3-CG1 4.44Å; L475-I483 CarbonylContact C-O 3.51Å; L475-I483 WeakPolarHBondContact CA-O 3.45Å; Q476-I483 PolarHBondContact N-O 3.24Å; Q476-I483 PolarHBondContact O-N 2.97Å; I483-V491 HydrophobicContact CG2-CG1 3.47Å; I483-V491 VanDerWaalsContact CG2-CG1 3.47Å; I483-K492 WeakPolarHBondContact CA-O 3.25Å; I483-L493 HydrophobicContact CG1-CD1 3.76Å; I483-L505 HydrophobicContact CG2-CD1 4.18Å; I483-I520 HydrophobicContact CB-CD1 3.95Å; I483-I520 HydrophobicContact CG2-CD1 3.51Å; I483-I520 WeakPolarHBondContact O-CD1 3.19Å; I483-A522 HydrophobicContact CD1-CB 3.77Å; I483-L527 HydrophobicContact CD1-CD1 4.47Å; I483-L527 HydrophobicContact CG2-CD1 4.16Å; I483-L527 HydrophobicContact CG2-CD2 4.48Å
484	T	98.7	Very high	97.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.6	-175.7	61.6	0	0	0	0	110.3	V448 H468 L475 V482 V491 K492 W494	V448-T484 HydrophobicContact CB-CG2 4.39Å; V448-T484 HydrophobicContact CG1-CG2 4.33Å; V448-T484 HydrophobicContact CG2-CG2 3.72Å; H468-T484 WeakPolarHBondContact NE2-CB 3.36Å; H468-T484 PolarHBondContact NE2-OG1 2.88Å; L475-T484 HydrophobicContact CB-CG2 4.42Å; V482-T484 HydrophobicContact CG1-CG2 3.68Å; T484-V491 CarbonylContact O-C 3.54Å; T484-V491 WeakPolarHBondContact O-CA 3.32Å; T484-V491 WeakPolarHBondContact O-CG1 3.48Å; T484-K492 PolarHBondContact N-O 2.92Å; T484-K492 PolarHBondContact O-N 2.82Å; T484-W494 PolarHBondContact OG1-NE1 2.88Å
485	S	98.5	Very high	97.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	154.1	173.7	65.4	0	0	0	0	111.7	V472 T473 C474 T490	V472-S485 CarbonylContact C-O 3.56Å; V472-S485 WeakPolarHBondContact CA-O 3.42Å; V472-S485 WeakPolarHBondContact CG1-O 3.49Å; T473-S485 PolarHBondContact N-O 3.48Å; T473-S485 VanDerWaalsContact OG1-C 3.28Å; T473-S485 PolarHBondContact OG1-O 2.84Å; T473-S485 VanDerWaalsContact OG1-O 3.12Å; T473-S485 PolarHBondContact OG1-OG 3.1Å; C474-S485 VanDerWaalsContact CB-OG 3.31Å; C474-S485 WeakPolarHBondContact CB-OG 3.35Å; C474-S485 PolarHBondContact N-OG 3.32Å; C474-S485 PolarHBondContact O-N 2.88Å; C474-S485 PolarHBondContact O-OG 3.16Å; S485-T490 WeakPolarHBondContact CA-O 3.27Å
486	S	98.3	Very high	97.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	163.3	-177.1	176.6	0	0	0	0	113.3	H468 S470 A471 D488 G489 T490 V517	H468-S486 VanDerWaalsContact CE1-CB 3.5Å; H468-S486 WeakPolarHBondContact CE1-CB 3.28Å; H468-S486 WeakPolarHBondContact ND1-CB 3.49Å; S470-S486 PolarHBondContact O-OG 3.49Å; A471-S486 VanDerWaalsContact O-CA 3.28Å; A471-S486 WeakPolarHBondContact O-CA 3.48Å; A471-S486 VanDerWaalsContact O-CB 3.29Å; A471-S486 WeakPolarHBondContact O-CB 3.4Å; A471-S486 PolarHBondContact O-OG 2.73Å; S486-D488 WeakPolarHBondContact CB-OD1 3.35Å; S486-D488 PolarHBondContact O-N 2.91Å; S486-D488 PolarHBondContact OG-N 2.85Å; S486-G489 PolarHBondContact O-N 2.83Å; S486-T490 PolarHBondContact N-O 3.17Å; S486-V517 PolarHBondContact O-N 2.8Å
487	D	97.1	Very high	97.3	Very high	64 Å²	64	24.7 Å²	24.7	34%	0.342	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-12	167.2	-70.5	-17.1	0	0	0	113.1	A471 T473 G489 V516	A471-D487 PolarHBondContact O-N 3.46Å; T473-D487 WeakPolarHBondContact CG2-OD1 3.21Å; D487-G489 PolarHBondContact O-N 2.9Å; D487-V516 HydrophobicContact CB-CG1 4.48Å; D487-V516 HydrophobicContact CB-CG2 4.22Å; D487-V516 WeakPolarHBondContact OD1-CG1 3.48Å
488	D	97.3	Very high	97.2	Very high	20 Å²	20	26.7 Å²	26.7	11%	0.107	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	1	171.5	71.3	11.6	0	0	0	114	H468 Q469 S486 T490 G511	H468-D488 WeakPolarHBondContact CA-OD2 3.46Å; H468-D488 WeakPolarHBondContact CB-OD2 3.24Å; H468-D488 IonicContact CG-OD2 3.76Å; H468-D488 IonicContact ND1-OD1 3.76Å; H468-D488 PolarHBondContact ND1-OD1 2.91Å; H468-D488 IonicContact ND1-OD2 3.12Å; H468-D488 PolarHBondContact ND1-OD2 2.89Å; Q469-D488 HydrophobicContact CB-CB 4.04Å; Q469-D488 PolarHBondContact N-OD2 3.33Å; S486-D488 WeakPolarHBondContact CB-OD1 3.35Å; S486-D488 PolarHBondContact O-N 2.91Å; S486-D488 PolarHBondContact OG-N 2.85Å; D488-T490 VanDerWaalsContact C-N 3.33Å; D488-T490 VanDerWaalsContact CG-OG1 3.32Å; D488-T490 WeakPolarHBondContact OD1-CA 3.4Å; D488-T490 VanDerWaalsContact OD1-CB 3.29Å; D488-T490 WeakPolarHBondContact OD1-CB 3.41Å; D488-T490 PolarHBondContact OD1-N 2.86Å; D488-T490 PolarHBondContact OD1-OG1 3.21Å; D488-T490 PolarHBondContact OD2-OG1 2.82Å; D488-G511 WeakPolarHBondContact O-CA 3.25Å
489	G	98.1	Very high	97.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	78.2	15	179.4	0	0	0	0	0	113.9	S486 D487 L508	S486-G489 PolarHBondContact O-N 2.83Å; D487-G489 PolarHBondContact O-N 2.9Å; G489-L508 VanDerWaalsContact O-CG 3.3Å; G489-L508 WeakPolarHBondContact O-CG 3.39Å; G489-L508 PolarHBondContact O-N 3.34Å
490	T	98.5	Very high	97.6	Very high	13 Å²	13	26.2 Å²	26.2	8%	0.08	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	150.7	179.1	71.2	0	0	0	0	113.4	H468 S485 S486 D488 K492 V506 T507	H468-T490 PolarHBondContact CE1-OG1 3.34Å; H468-T490 PolarHBondContact ND1-OG1 3.04Å; S485-T490 WeakPolarHBondContact CA-O 3.27Å; S486-T490 PolarHBondContact N-O 3.17Å; D488-T490 VanDerWaalsContact C-N 3.33Å; D488-T490 VanDerWaalsContact CG-OG1 3.32Å; D488-T490 WeakPolarHBondContact OD1-CA 3.4Å; D488-T490 VanDerWaalsContact OD1-CB 3.29Å; D488-T490 WeakPolarHBondContact OD1-CB 3.41Å; D488-T490 PolarHBondContact OD1-N 2.86Å; D488-T490 PolarHBondContact OD1-OG1 3.21Å; D488-T490 PolarHBondContact OD2-OG1 2.82Å; T490-K492 WeakPolarHBondContact OG1-CE 3.36Å; T490-V506 VanDerWaalsContact CA-O 3.29Å; T490-V506 WeakPolarHBondContact CA-O 3.4Å; T490-T507 HydrophobicContact CG2-CG2 4.33Å
491	V	98.8	Very high	97.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.1	159.4	-176.6	0	0	0	0	108	I483 T484 N504 L505 V506 V517 I520 L527	I483-V491 HydrophobicContact CG2-CG1 3.47Å; I483-V491 VanDerWaalsContact CG2-CG1 3.47Å; T484-V491 CarbonylContact O-C 3.54Å; T484-V491 WeakPolarHBondContact O-CA 3.32Å; T484-V491 WeakPolarHBondContact O-CG1 3.48Å; V491-N504 CarbonylContact O-C 3.56Å; V491-L505 HydrophobicContact CG1-CB 4.49Å; V491-L505 PolarHBondContact O-N 2.99Å; V491-V506 HydrophobicContact CB-CB 3.93Å; V491-V506 HydrophobicContact CB-CG2 4.17Å; V491-V506 HydrophobicContact CG2-CB 3.96Å; V491-V506 HydrophobicContact CG2-CG2 4.17Å; V491-V506 PolarHBondContact N-O 3.26Å; V491-V506 PolarHBondContact O-N 3.29Å; V491-V517 HydrophobicContact CG2-CB 4.29Å; V491-V517 HydrophobicContact CG2-CG1 3.73Å; V491-V517 HydrophobicContact CG2-CG2 4.06Å; V491-I520 HydrophobicContact CG1-CG2 4.36Å; V491-I520 HydrophobicContact CG2-CG2 4Å; V491-L527 HydrophobicContact CG1-CD2 3.94Å
492	K	98.7	Very high	97.9	Very high	11 Å²	11	29.9 Å²	29.9	5%	0.048	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	146.2	-174.4	-62.5	-179.4	-177.9	-77.3	0	110.9	H466 H468 I483 T484 T490 W494 F501 N504	H466-K492 WeakPolarHBondContact O-CD 3.28Å; H466-K492 WeakPolarHBondContact O-CE 3.37Å; H466-K492 PolarHBondContact O-NZ 2.82Å; H468-K492 VanDerWaalsContact CE1-CD 3.48Å; H468-K492 WeakPolarHBondContact CE1-CD 3.24Å; H468-K492 WeakPolarHBondContact ND1-CE 3.39Å; I483-K492 WeakPolarHBondContact CA-O 3.25Å; T484-K492 PolarHBondContact N-O 2.92Å; T484-K492 PolarHBondContact O-N 2.82Å; T490-K492 WeakPolarHBondContact OG1-CE 3.36Å; K492-W494 HydrophobicContact CB-CZ2 4.2Å; K492-W494 VanDerWaalsContact CB-NE1 3.32Å; K492-W494 HydrophobicContact CD-CZ2 3.63Å; K492-F501 HydrophobicContact CB-CE2 4.19Å; K492-F501 HydrophobicContact CD-CD2 4.45Å; K492-F501 HydrophobicContact CD-CE2 4.15Å; K492-F501 HydrophobicContact CG-CE2 4.09Å; K492-N504 WeakPolarHBondContact CG-OD1 3.41Å; K492-N504 PolarHBondContact NZ-OD1 2.59Å
493	L	98.7	Very high	97.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.9	172.2	-172.2	71.4	0	0	0	109	W210 F481 I483 I502 R503 L505	W210-L493 HydrophobicContact CB-CD2 4.24Å; W210-L493 HydrophobicContact CE3-CD1 4.44Å; W210-L493 VanDerWaalsContact O-CD2 3.27Å; W210-L493 WeakPolarHBondContact O-CD2 3.35Å; F481-L493 HydrophobicContact CB-CD1 3.65Å; F481-L493 HydrophobicContact CB-CG 4.49Å; F481-L493 HydrophobicContact CD1-CD1 4.18Å; F481-L493 HydrophobicContact CD1-CD2 4.34Å; F481-L493 HydrophobicContact CD1-CG 4.26Å; F481-L493 HydrophobicContact CE1-CD2 4.4Å; F481-L493 HydrophobicContact CG-CD1 3.9Å; F481-L493 HydrophobicContact CG-CG 4.48Å; I483-L493 HydrophobicContact CG1-CD1 3.76Å; L493-I502 HydrophobicContact CB-CB 4.45Å; L493-I502 HydrophobicContact CD2-CB 4.37Å; L493-I502 HydrophobicContact CD2-CD1 4.15Å; L493-I502 HydrophobicContact CD2-CG2 4.2Å; L493-I502 HydrophobicContact CG-CB 4.39Å; L493-I502 HydrophobicContact CG-CD1 4.07Å; L493-I502 WeakPolarHBondContact O-CB 3.35Å; L493-I502 PolarHBondContact O-N 2.9Å; L493-R503 HydrophobicContact CB-CG 4.43Å; L493-R503 PolarHBondContact N-O 2.9Å; L493-R503 PolarHBondContact O-N 3.2Å; L493-L505 HydrophobicContact CB-CD1 4.11Å; L493-L505 HydrophobicContact CB-CD2 4.19Å; L493-L505 HydrophobicContact CB-CG 3.99Å; L493-L505 HydrophobicContact CD1-CD1 4.38Å; L493-L505 HydrophobicContact CD2-CD2 4.38Å
494	W	98.7	Very high	97.9	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.011	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148.7	-178.5	-52	83.2	0	0	0	109.8	L462 F481 V482 T484 K492 E500 F501	L462-W494 HydrophobicContact CB-CD2 3.95Å; L462-W494 HydrophobicContact CB-CE3 3.81Å; L462-W494 HydrophobicContact CB-CH2 4.41Å; L462-W494 HydrophobicContact CB-CZ3 4.05Å; L462-W494 HydrophobicContact CD1-CB 3.87Å; L462-W494 HydrophobicContact CD1-CD2 4.05Å; L462-W494 HydrophobicContact CD1-CG 3.71Å; L462-W494 HydrophobicContact CD2-CB 4.23Å; L462-W494 HydrophobicContact CD2-CD2 4.5Å; L462-W494 HydrophobicContact CD2-CE3 4.26Å; L462-W494 HydrophobicContact CG-CD2 4.39Å; L462-W494 HydrophobicContact CG-CE3 4.43Å; L462-W494 HydrophobicContact CG-CG 4.47Å; F481-W494 WeakPolarHBondContact CA-O 3.41Å; F481-W494 WeakPolarHBondContact CB-O 3.49Å; V482-W494 HydrophobicContact CB-CB 4.32Å; V482-W494 PolarHBondContact N-O 3.17Å; V482-W494 PolarHBondContact O-N 2.96Å; T484-W494 PolarHBondContact OG1-NE1 2.88Å; K492-W494 HydrophobicContact CB-CZ2 4.2Å; K492-W494 VanDerWaalsContact CB-NE1 3.32Å; K492-W494 HydrophobicContact CD-CZ2 3.63Å; W494-E500 CarbonylContact C-O 3.54Å; W494-E500 WeakPolarHBondContact CA-O 3.19Å; W494-F501 HydrophobicContact CD2-CD2 4.45Å; W494-F501 VanDerWaalsContact CE3-CA 3.42Å; W494-F501 HydrophobicContact CE3-CB 3.77Å; W494-F501 HydrophobicContact CE3-CD2 4.45Å; W494-F501 HydrophobicContact CH2-CB 4.11Å; W494-F501 HydrophobicContact CH2-CD2 4.16Å; W494-F501 HydrophobicContact CZ2-CD2 4.18Å; W494-F501 HydrophobicContact CZ3-CB 3.54Å; W494-F501 HydrophobicContact CZ3-CD2 4.32Å; W494-F501 HydrophobicContact CZ3-CG 4.42Å
495	D	98	Very high	97.9	Very high	25 Å²	25	35 Å²	35	13%	0.134	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.5	170.8	-166.9	-82.6	0	0	0	109.4	R211 K497 T498 G499 E500 I502	R211-D495 IonicContact NH2-OD2 3.16Å; R211-D495 PolarHBondContact NH2-OD2 3.25Å; R211-D495 VanDerWaalsContact NH2-OD2 3.14Å; D495-K497 VanDerWaalsContact C-N 3.3Å; D495-K497 PolarHBondContact O-N 3.32Å; D495-K497 WeakPolarHBondContact OD1-CB 3.37Å; D495-K497 PolarHBondContact OD1-N 2.76Å; D495-T498 WeakPolarHBondContact CB-OG1 3.4Å; D495-T498 PolarHBondContact OD1-N 2.95Å; D495-T498 VanDerWaalsContact OD1-N 3.12Å; D495-G499 VanDerWaalsContact O-CA 3.3Å; D495-G499 WeakPolarHBondContact O-CA 3.24Å; D495-G499 PolarHBondContact O-N 2.86Å; D495-E500 PolarHBondContact N-O 3.48Å; D495-I502 HydrophobicContact CB-CD1 3.96Å; D495-I502 HydrophobicContact CB-CG1 4.28Å
496	L	96.8	Very high	97.9	Very high	23 Å²	23	35.5 Å²	35.5	12%	0.12	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-37.5	-177.5	-175.7	82.5	0	0	0	111.4	V440 I450 F477 N478 N480 V482	V440-L496 HydrophobicContact CG2-CD1 4.34Å; I450-L496 HydrophobicContact CD1-CD1 3.73Å; I450-L496 HydrophobicContact CD1-CG 4.34Å; I450-L496 HydrophobicContact CG1-CD1 4.5Å; I450-L496 HydrophobicContact CG2-CD1 4.36Å; F477-L496 HydrophobicContact CD2-CD1 3.86Å; F477-L496 HydrophobicContact CD2-CD2 4.5Å; N478-L496 WeakPolarHBondContact O-CD2 3.39Å; N480-L496 PolarHBondContact O-N 3.2Å; V482-L496 HydrophobicContact CG2-CD1 3.48Å; V482-L496 VanDerWaalsContact CG2-CD1 3.48Å
497	K	95.3	Very high	97.9	Very high	154 Å²	154	39.7 Å²	39.7	67%	0.67	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-45.6	-171.4	-63.2	-178.3	179.7	-179.2	0	111	Q460 D495	Q460-K497 PolarHBondContact NE2-O 3.49Å; D495-K497 VanDerWaalsContact C-N 3.3Å; D495-K497 PolarHBondContact O-N 3.32Å; D495-K497 WeakPolarHBondContact OD1-CB 3.37Å; D495-K497 PolarHBondContact OD1-N 2.76Å
498	T	96.6	Very high	97.9	Very high	66 Å²	66	37.4 Å²	37.4	41%	0.405	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-19.7	-177	68.6	0	0	0	0	113.4	Q460 D495 E500	Q460-T498 PolarHBondContact NE2-O 2.75Å; Q460-T498 PolarHBondContact OE1-O 2.71Å; D495-T498 WeakPolarHBondContact CB-OG1 3.4Å; D495-T498 PolarHBondContact OD1-N 2.95Å; D495-T498 VanDerWaalsContact OD1-N 3.12Å; T498-E500 PolarHBondContact O-N 3.36Å; T498-E500 WeakPolarHBondContact OG1-CB 3.34Å; T498-E500 WeakPolarHBondContact OG1-CG 3.35Å; T498-E500 PolarHBondContact OG1-N 3.2Å; T498-E500 PolarHBondContact OG1-OE2 3.37Å
499	G	97	Very high	97.8	Very high	8 Å²	8	46 Å²	46	8%	0.082	23%	0.228	C	C	.	.			trans	73.1	6.3	-172.8	0	0	0	0	0	113.8	L462 D495	L462-G499 VanDerWaalsContact CD2-CA 3.48Å; L462-G499 WeakPolarHBondContact CD2-O 3.12Å; D495-G499 VanDerWaalsContact O-CA 3.3Å; D495-G499 WeakPolarHBondContact O-CA 3.24Å; D495-G499 PolarHBondContact O-N 2.86Å
500	E	97.7	Very high	97.7	Very high	130 Å²	130	46.5 Å²	46.5	61%	0.607	23%	0.231	S	C	*	.			trans	-79.7	145.6	-176.6	-66.9	178.3	155.8	0	0	112	W494 D495 T498 I502	W494-E500 CarbonylContact C-O 3.54Å; W494-E500 WeakPolarHBondContact CA-O 3.19Å; D495-E500 PolarHBondContact N-O 3.48Å; T498-E500 PolarHBondContact O-N 3.36Å; T498-E500 WeakPolarHBondContact OG1-CB 3.34Å; T498-E500 WeakPolarHBondContact OG1-CG 3.35Å; T498-E500 PolarHBondContact OG1-N 3.2Å; T498-E500 PolarHBondContact OG1-OE2 3.37Å; E500-I502 PolarHBondContact O-N 3.29Å
501	F	98.6	Very high	97.4	Very high	52 Å²	52	47.3 Å²	47.3	23%	0.228	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	130.3	169.5	172.9	-103.6	0	0	0	110.2	H466 K492 W494 N504	H466-F501 HydrophobicContact CB-CB 4.11Å; H466-F501 HydrophobicContact CB-CD1 3.49Å; H466-F501 VanDerWaalsContact CB-CD1 3.49Å; H466-F501 HydrophobicContact CB-CD2 3.8Å; H466-F501 HydrophobicContact CB-CE1 3.68Å; H466-F501 HydrophobicContact CB-CE2 3.99Å; H466-F501 HydrophobicContact CB-CG 3.52Å; H466-F501 HydrophobicContact CB-CZ 3.9Å; H466-F501 AromaticContact CD2-CD1 3.35Å; H466-F501 WeakPolarHBondContact CD2-CD1 3.42Å; H466-F501 AromaticContact CD2-CE1 3.67Å; H466-F501 AromaticContact CG-CD1 3.5Å; H466-F501 AromaticContact CG-CE1 3.53Å; K492-F501 HydrophobicContact CB-CE2 4.19Å; K492-F501 HydrophobicContact CD-CD2 4.45Å; K492-F501 HydrophobicContact CD-CE2 4.15Å; K492-F501 HydrophobicContact CG-CE2 4.09Å; W494-F501 HydrophobicContact CD2-CD2 4.45Å; W494-F501 VanDerWaalsContact CE3-CA 3.42Å; W494-F501 HydrophobicContact CE3-CB 3.77Å; W494-F501 HydrophobicContact CE3-CD2 4.45Å; W494-F501 HydrophobicContact CH2-CB 4.11Å; W494-F501 HydrophobicContact CH2-CD2 4.16Å; W494-F501 HydrophobicContact CZ2-CD2 4.18Å; W494-F501 HydrophobicContact CZ3-CB 3.54Å; W494-F501 HydrophobicContact CZ3-CD2 4.32Å; W494-F501 HydrophobicContact CZ3-CG 4.42Å; F501-N504 WeakPolarHBondContact CE2-OD1 3.26Å; F501-N504 WeakPolarHBondContact CZ-OD1 3.46Å
502	I	98.3	Very high	97	Very high	47 Å²	47	51.1 Å²	51.1	24%	0.241	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-60.4	175.5	-60.8	169.2	0	0	0	109.9	R211 F481 L493 D495 E500	R211-I502 HydrophobicContact CB-CG2 4.4Å; R211-I502 HydrophobicContact CG-CD1 4.31Å; R211-I502 HydrophobicContact CG-CG2 4.44Å; R211-I502 WeakPolarHBondContact O-CG2 3.37Å; F481-I502 HydrophobicContact CD1-CD1 3.6Å; F481-I502 HydrophobicContact CE1-CD1 3.71Å; L493-I502 HydrophobicContact CB-CB 4.45Å; L493-I502 HydrophobicContact CD2-CB 4.37Å; L493-I502 HydrophobicContact CD2-CD1 4.15Å; L493-I502 HydrophobicContact CD2-CG2 4.2Å; L493-I502 HydrophobicContact CG-CB 4.39Å; L493-I502 HydrophobicContact CG-CD1 4.07Å; L493-I502 WeakPolarHBondContact O-CB 3.35Å; L493-I502 PolarHBondContact O-N 2.9Å; D495-I502 HydrophobicContact CB-CD1 3.96Å; D495-I502 HydrophobicContact CB-CG1 4.28Å; E500-I502 PolarHBondContact O-N 3.29Å
503	R	98.3	Very high	96.8	Very high	60 Å²	60	53.7 Å²	53.7	23%	0.226	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	165.1	-179.5	66.6	-173.7	-62.5	169.2	5.9	112.8	R211 G213 L493 L505	R211-R503 VanDerWaalsContact O-CD 3.22Å; R211-R503 WeakPolarHBondContact O-CD 3.37Å; G213-R503 PolarHBondContact O-NH1 3.24Å; L493-R503 HydrophobicContact CB-CG 4.43Å; L493-R503 PolarHBondContact N-O 2.9Å; L493-R503 PolarHBondContact O-N 3.2Å; R503-L505 HydrophobicContact CG-CD2 4.08Å
504	N	98.3	Very high	96.5	Very high	51 Å²	51	54.8 Å²	54.8	27%	0.273	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128	162.1	-61.1	-26.1	0	0	0	108.9	V491 K492 F501 T507	V491-N504 CarbonylContact O-C 3.56Å; K492-N504 WeakPolarHBondContact CG-OD1 3.41Å; K492-N504 PolarHBondContact NZ-OD1 2.59Å; F501-N504 WeakPolarHBondContact CE2-OD1 3.26Å; F501-N504 WeakPolarHBondContact CZ-OD1 3.46Å; N504-T507 WeakPolarHBondContact CB-OG1 3.32Å; N504-T507 PolarHBondContact ND2-OG1 2.97Å
505	L	98.4	Very high	96.5	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.037	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-34.8	170.8	-60.3	-179.4	0	0	0	111.4	W210 L215 I483 V491 L493 R503 L527 L545 F547	W210-L505 HydrophobicContact CE3-CD1 3.92Å; W210-L505 HydrophobicContact CZ3-CD1 3.7Å; L215-L505 HydrophobicContact CD2-CD2 4.25Å; I483-L505 HydrophobicContact CG2-CD1 4.18Å; V491-L505 HydrophobicContact CG1-CB 4.49Å; V491-L505 PolarHBondContact O-N 2.99Å; L493-L505 HydrophobicContact CB-CD1 4.11Å; L493-L505 HydrophobicContact CB-CD2 4.19Å; L493-L505 HydrophobicContact CB-CG 3.99Å; L493-L505 HydrophobicContact CD1-CD1 4.38Å; L493-L505 HydrophobicContact CD2-CD2 4.38Å; R503-L505 HydrophobicContact CG-CD2 4.08Å; L505-L527 HydrophobicContact CB-CD2 4.18Å; L505-L527 HydrophobicContact CD1-CD2 3.72Å; L505-L545 HydrophobicContact CB-CD2 4.43Å; L505-L545 WeakPolarHBondContact O-CD2 3.45Å; L505-F547 HydrophobicContact CD1-CZ 4.43Å; L505-F547 HydrophobicContact CD2-CE1 4.2Å; L505-F547 HydrophobicContact CD2-CZ 3.96Å
506	V	98.5	Very high	96.5	Very high	12 Å²	12	54.5 Å²	54.5	7%	0.073	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.6	174.8	179.4	0	0	0	0	108.4	T490 V491 L508 L543 L545	T490-V506 VanDerWaalsContact CA-O 3.29Å; T490-V506 WeakPolarHBondContact CA-O 3.4Å; V491-V506 HydrophobicContact CB-CB 3.93Å; V491-V506 HydrophobicContact CB-CG2 4.17Å; V491-V506 HydrophobicContact CG2-CB 3.96Å; V491-V506 HydrophobicContact CG2-CG2 4.17Å; V491-V506 PolarHBondContact N-O 3.26Å; V491-V506 PolarHBondContact O-N 3.29Å; V506-L508 HydrophobicContact CG1-CD2 4.11Å; V506-L508 HydrophobicContact CG1-CG 4.39Å; V506-L543 HydrophobicContact CG1-CD1 3.91Å; V506-L545 HydrophobicContact CG2-CD1 3.89Å; V506-L545 HydrophobicContact CG2-CD2 4.12Å
507	T	98	Very high	96.6	Very high	87 Å²	87	53.4 Å²	53.4	53%	0.534	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	108.5	169.8	-58.2	0	0	0	0	106.7	T490 N504	T490-T507 HydrophobicContact CG2-CG2 4.33Å; N504-T507 WeakPolarHBondContact CB-OG1 3.32Å; N504-T507 PolarHBondContact ND2-OG1 2.97Å
508	L	97.8	Very high	96.7	Very high	17 Å²	17	47.4 Å²	47.4	9%	0.089	28%	0.279	C	S	.	.			trans	-75.6	135.8	176.7	-58.2	174	0	0	0	109.3	G489 V506 S510 G511 V517 V531 L543	G489-L508 VanDerWaalsContact O-CG 3.3Å; G489-L508 WeakPolarHBondContact O-CG 3.39Å; G489-L508 PolarHBondContact O-N 3.34Å; V506-L508 HydrophobicContact CG1-CD2 4.11Å; V506-L508 HydrophobicContact CG1-CG 4.39Å; L508-S510 PolarHBondContact O-N 3.34Å; L508-G511 PolarHBondContact O-N 2.97Å; L508-V517 HydrophobicContact CD1-CG2 4.03Å; L508-V531 HydrophobicContact CD1-CG1 3.38Å; L508-V531 HydrophobicContact CD2-CG1 3.8Å; L508-V531 HydrophobicContact CG-CG1 4.23Å; L508-L543 HydrophobicContact CD2-CD1 4.25Å
509	E	95.8	Very high	96.8	Very high	201 Å²	201	47.9 Å²	47.9	94%	0.939	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.1	175	-63.2	-177.5	176	0	0	111.9	G511	E509-G511 PolarHBondContact O-N 3.42Å
510	S	95.8	Very high	96.8	Very high	9 Å²	9	47.5 Å²	47.5	6%	0.063	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	3.3	172.5	59.8	0	0	0	0	113.6	L508 G512 S513 G514 G515 E538	L508-S510 PolarHBondContact O-N 3.34Å; S510-G512 PolarHBondContact O-N 3.2Å; S510-S513 WeakPolarHBondContact CA-OG 3.4Å; S510-S513 PolarHBondContact O-N 3.3Å; S510-S513 PolarHBondContact O-OG 3.26Å; S510-G514 PolarHBondContact O-N 3.17Å; S510-G515 PolarHBondContact O-N 2.89Å; S510-G515 WeakPolarHBondContact OG-CA 3.47Å; S510-E538 WeakPolarHBondContact CB-OE2 3.3Å; S510-E538 PolarHBondContact OG-OE2 3.21Å
511	G	92.1	Very high	96.9	Very high	30 Å²	30	44.4 Å²	44.4	31%	0.309	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-58.6	123.6	172.7	0	0	0	0	0	110.4	D488 L508 E509 S513	D488-G511 WeakPolarHBondContact O-CA 3.25Å; L508-G511 PolarHBondContact O-N 2.97Å; E509-G511 PolarHBondContact O-N 3.42Å; G511-S513 VanDerWaalsContact C-N 3.33Å
512	G	90.9	Very high	96.8	Very high	80 Å²	80	43.3 Å²	43.3	83%	0.825	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-11.4	-174.6	0	0	0	0	0	115.5	S510	S510-G512 PolarHBondContact O-N 3.2Å
513	S	93.4	Very high	96.7	Very high	65 Å²	65	43 Å²	43	46%	0.455	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	3.4	170.4	65.9	0	0	0	0	113.5	S510 G511 N535 T537	S510-S513 WeakPolarHBondContact CA-OG 3.4Å; S510-S513 PolarHBondContact O-N 3.3Å; S510-S513 PolarHBondContact O-OG 3.26Å; G511-S513 VanDerWaalsContact C-N 3.33Å; S513-N535 PolarHBondContact O-ND2 3.28Å; S513-T537 WeakPolarHBondContact O-CG2 3.49Å; S513-T537 PolarHBondContact O-OG1 2.85Å
514	G	93.4	Very high	96.5	Very high	24 Å²	24	43.3 Å²	43.3	25%	0.247	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	132.6	-11.6	172.3	0	0	0	0	0	114.8	S510 S533	S510-G514 PolarHBondContact O-N 3.17Å; G514-S533 WeakPolarHBondContact O-CA 3.3Å; G514-S533 WeakPolarHBondContact O-CB 3.45Å
515	G	97.3	Very high	96.4	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	126.7	174.4	0	0	0	0	0	112.1	S510	S510-G515 PolarHBondContact O-N 2.89Å; S510-G515 WeakPolarHBondContact OG-CA 3.47Å
516	V	98.1	Very high	96.4	Very high	21 Å²	21	42.6 Å²	42.6	13%	0.127	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.1	-172.9	169.7	0	0	0	0	110.3	D487 W518 V531 G532	D487-V516 HydrophobicContact CB-CG1 4.48Å; D487-V516 HydrophobicContact CB-CG2 4.22Å; D487-V516 WeakPolarHBondContact OD1-CG1 3.48Å; V516-W518 HydrophobicContact CG1-CG 4.1Å; V516-V531 WeakPolarHBondContact O-CA 3.21Å; V516-G532 PolarHBondContact N-O 2.76Å; V516-G532 PolarHBondContact O-N 2.89Å; V516-G532 VanDerWaalsContact O-N 3.12Å
517	V	98.4	Very high	96.4	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	104.6	163.9	-171.9	0	0	0	0	108.7	T473 S486 V491 L508 I520 C529 A530 V531	T473-V517 WeakPolarHBondContact CB-O 3.23Å; T473-V517 PolarHBondContact OG1-O 3.31Å; S486-V517 PolarHBondContact O-N 2.8Å; V491-V517 HydrophobicContact CG2-CB 4.29Å; V491-V517 HydrophobicContact CG2-CG1 3.73Å; V491-V517 HydrophobicContact CG2-CG2 4.06Å; L508-V517 HydrophobicContact CD1-CG2 4.03Å; V517-I520 HydrophobicContact CG1-CG2 4.07Å; V517-C529 HydrophobicContact CG1-CB 4.11Å; V517-A530 CarbonylContact C-O 3.59Å; V517-V531 HydrophobicContact CG1-CG2 4.34Å; V517-V531 HydrophobicContact CG2-CG2 4.18Å
518	W	98.3	Very high	96.4	Very high	28 Å²	28	37.9 Å²	37.9	11%	0.106	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-41.3	-174.5	-62.7	-50.2	0	0	0	113.1	V228 I229 T473 V516 A530 G532 T540	V228-W518 HydrophobicContact CB-CH2 4.29Å; V228-W518 HydrophobicContact CB-CZ2 4.29Å; V228-W518 HydrophobicContact CG1-CD2 3.96Å; V228-W518 HydrophobicContact CG1-CE3 4.21Å; V228-W518 HydrophobicContact CG1-CG 4.47Å; V228-W518 HydrophobicContact CG1-CH2 4.27Å; V228-W518 HydrophobicContact CG1-CZ2 4.05Å; V228-W518 HydrophobicContact CG1-CZ3 4.35Å; V228-W518 HydrophobicContact CG2-CH2 4.29Å; V228-W518 HydrophobicContact CG2-CZ2 3.97Å; I229-W518 HydrophobicContact CB-CE3 3.89Å; I229-W518 HydrophobicContact CB-CZ3 4.03Å; I229-W518 HydrophobicContact CG1-CE3 4.46Å; I229-W518 HydrophobicContact CG1-CZ3 4.14Å; T473-W518 WeakPolarHBondContact CB-O 3.45Å; T473-W518 PolarHBondContact OG1-O 3.12Å; V516-W518 HydrophobicContact CG1-CG 4.1Å; W518-A530 PolarHBondContact N-O 3.46Å; W518-G532 VanDerWaalsContact CH2-CA 3.5Å; W518-T540 HydrophobicContact CH2-CG2 4.16Å; W518-T540 HydrophobicContact CZ3-CG2 3.8Å
519	R	98.3	Very high	96.5	Very high	77 Å²	77	37.1 Å²	37.1	29%	0.291	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	154.6	-174.8	-66.1	-172	178.4	-82.1	0.2	112.1	T230 L232 C474 A530	T230-R519 PolarHBondContact O-NE 3.4Å; T230-R519 PolarHBondContact O-NH2 3.4Å; L232-R519 HydrophobicContact CB-CB 4.31Å; L232-R519 HydrophobicContact CD2-CB 4.46Å; C474-R519 HydrophobicContact CB-CB 4.44Å; R519-A530 HydrophobicContact CB-CB 4.5Å; R519-A530 PolarHBondContact O-N 3.36Å
520	I	98.6	Very high	96.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	152.1	174.1	57.6	169.6	0	0	0	112	C474 I483 V491 V517 L527 V528 C529	C474-I520 HydrophobicContact CB-CG1 4.1Å; I483-I520 HydrophobicContact CB-CD1 3.95Å; I483-I520 HydrophobicContact CG2-CD1 3.51Å; I483-I520 WeakPolarHBondContact O-CD1 3.19Å; V491-I520 HydrophobicContact CG1-CG2 4.36Å; V491-I520 HydrophobicContact CG2-CG2 4Å; V517-I520 HydrophobicContact CG1-CG2 4.07Å; I520-L527 HydrophobicContact CB-CD1 4.12Å; I520-L527 HydrophobicContact CG2-CD1 4.38Å; I520-V528 CarbonylContact C-O 3.56Å; I520-V528 VanDerWaalsContact CA-O 3.25Å; I520-V528 WeakPolarHBondContact CA-O 3.42Å; I520-C529 HydrophobicContact CG2-CB 4.24Å
521	R	98.4	Very high	96.8	Very high	64 Å²	64	27.1 Å²	27.1	24%	0.242	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	135.6	165.9	-72.3	-68.2	176.9	-129.5	14.2	109.2	L232 F234 V528	L232-R521 HydrophobicContact CB-CG 4.49Å; L232-R521 HydrophobicContact CD2-CB 4.28Å; L232-R521 HydrophobicContact CD2-CG 4.01Å; L232-R521 HydrophobicContact CG-CG 3.97Å; L232-R521 PolarHBondContact O-NE 2.94Å; L232-R521 VanDerWaalsContact O-NE 3.15Å; F234-R521 HydrophobicContact CB-CB 3.62Å; F234-R521 HydrophobicContact CB-CG 4.13Å; F234-R521 HydrophobicContact CD1-CB 4.25Å; F234-R521 HydrophobicContact CG-CB 4.41Å; R521-V528 PolarHBondContact N-O 2.8Å; R521-V528 PolarHBondContact O-N 3.09Å
522	A	97.8	Very high	97	Very high	30 Å²	30	25.7 Å²	25.7	25%	0.248	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.8	179.5	0	0	0	0	0	110.5	W210 Q476 I483 K526 L527	W210-A522 HydrophobicContact CH2-CB 4.35Å; Q476-A522 HydrophobicContact CB-CB 4.49Å; I483-A522 HydrophobicContact CD1-CB 3.77Å; A522-K526 CarbonylContact C-O 3.47Å; A522-K526 WeakPolarHBondContact CA-O 3.33Å; A522-L527 HydrophobicContact CB-CD1 4.27Å
523	S	96	Very high	97.3	Very high	41 Å²	41	22.3 Å²	22.3	29%	0.287	13%	0.126	S	C	.	.			trans	-107.1	176.4	157.9	65.4	0	0	0	0	107.8	F234 T525 K526	F234-S523 WeakPolarHBondContact CE1-OG 3.3Å; S523-T525 PolarHBondContact O-N 3.47Å; S523-T525 VanDerWaalsContact O-N 3.09Å; S523-T525 PolarHBondContact OG-N 2.88Å; S523-K526 PolarHBondContact N-O 3.19Å; S523-K526 PolarHBondContact OG-N 3.48Å; S523-K526 PolarHBondContact OG-O 3.19Å
524	N	93.9	Very high	97.3	Very high	66 Å²	66	30.3 Å²	30.3	35%	0.353	15%	0.146	S	C	.	.	S	Bend	trans	-53	-33.1	173.5	-172.4	34.6	0	0	0	113.2	Q203 I206 W210	Q203-N524 PolarHBondContact NE2-OD1 3.43Å; Q203-N524 PolarHBondContact OE1-ND2 2.97Å; Q203-N524 PolarHBondContact OE1-OD1 2.81Å; I206-N524 VanDerWaalsContact CG2-O 3.23Å; I206-N524 WeakPolarHBondContact CG2-O 3.32Å; W210-N524 PolarHBondContact NE1-O 2.9Å
525	T	95.8	Very high	97.3	Very high	23 Å²	23	33.9 Å²	33.9	14%	0.141	16%	0.16	C	C	.	.	S	Bend	trans	-112.4	-10.6	-173.6	52	0	0	0	0	115.2	I206 S523 F547 D548	I206-T525 HydrophobicContact CD1-CG2 3.82Å; I206-T525 HydrophobicContact CG1-CG2 4.48Å; S523-T525 PolarHBondContact O-N 3.47Å; S523-T525 VanDerWaalsContact O-N 3.09Å; S523-T525 PolarHBondContact OG-N 2.88Å; T525-F547 WeakPolarHBondContact O-CA 3.5Å; T525-F547 PolarHBondContact O-N 3.23Å; T525-D548 HydrophobicContact CG2-CB 4.04Å; T525-D548 PolarHBondContact O-N 2.83Å
526	K	97.8	Very high	97.1	Very high	20 Å²	20	36.5 Å²	36.5	9%	0.087	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	145.9	-171.7	-55.7	-166.4	-164	-48.7	0	112	F234 A522 S523 V544 L545 D546	F234-K526 HydrophobicContact CE1-CB 4.28Å; F234-K526 HydrophobicContact CZ-CB 4.22Å; A522-K526 CarbonylContact C-O 3.47Å; A522-K526 WeakPolarHBondContact CA-O 3.33Å; S523-K526 PolarHBondContact N-O 3.19Å; S523-K526 PolarHBondContact OG-N 3.48Å; S523-K526 PolarHBondContact OG-O 3.19Å; K526-V544 HydrophobicContact CD-CG1 4.47Å; K526-L545 VanDerWaalsContact CA-O 3.22Å; K526-L545 WeakPolarHBondContact CA-O 3.32Å; K526-L545 WeakPolarHBondContact CB-O 3.26Å; K526-D546 IonicContact NZ-OD1 3.79Å; K526-D546 PolarHBondContact NZ-OD1 3.19Å; K526-D546 IonicContact NZ-OD2 3.84Å; K526-D546 PolarHBondContact NZ-OD2 2.91Å
527	L	98.6	Very high	96.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.1	170.3	176.3	64.3	0	0	0	109.2	W210 I483 V491 L505 I520 A522 V544 L545 F547	W210-L527 HydrophobicContact CH2-CB 3.75Å; W210-L527 HydrophobicContact CZ3-CB 4.11Å; I483-L527 HydrophobicContact CD1-CD1 4.47Å; I483-L527 HydrophobicContact CG2-CD1 4.16Å; I483-L527 HydrophobicContact CG2-CD2 4.48Å; V491-L527 HydrophobicContact CG1-CD2 3.94Å; L505-L527 HydrophobicContact CB-CD2 4.18Å; L505-L527 HydrophobicContact CD1-CD2 3.72Å; I520-L527 HydrophobicContact CB-CD1 4.12Å; I520-L527 HydrophobicContact CG2-CD1 4.38Å; A522-L527 HydrophobicContact CB-CD1 4.27Å; L527-V544 CarbonylContact O-C 3.47Å; L527-V544 WeakPolarHBondContact O-CA 3.46Å; L527-L545 HydrophobicContact CB-CB 4.25Å; L527-L545 HydrophobicContact CD2-CD1 4.5Å; L527-L545 PolarHBondContact N-O 3.26Å; L527-L545 PolarHBondContact O-N 2.94Å; L527-F547 HydrophobicContact CB-CE2 3.97Å
528	V	98.8	Very high	96.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.6	174.8	-175.7	0	0	0	0	108.3	L232 F234 I239 I520 R521 L543 V544	L232-V528 HydrophobicContact CD1-CG1 4.26Å; L232-V528 HydrophobicContact CD2-CG1 4.14Å; F234-V528 HydrophobicContact CD1-CG2 4Å; F234-V528 HydrophobicContact CD2-CG2 4.42Å; F234-V528 HydrophobicContact CE1-CG2 4.07Å; F234-V528 HydrophobicContact CG-CG2 4.18Å; F234-V528 HydrophobicContact CZ-CG2 4.37Å; I239-V528 HydrophobicContact CD1-CB 4.41Å; I239-V528 HydrophobicContact CD1-CG1 3.88Å; I239-V528 HydrophobicContact CD1-CG2 3.58Å; I239-V528 HydrophobicContact CG1-CG1 4.3Å; I239-V528 HydrophobicContact CG1-CG2 3.96Å; I239-V528 HydrophobicContact CG2-CG1 3.92Å; I520-V528 CarbonylContact C-O 3.56Å; I520-V528 VanDerWaalsContact CA-O 3.25Å; I520-V528 WeakPolarHBondContact CA-O 3.42Å; R521-V528 PolarHBondContact N-O 2.8Å; R521-V528 PolarHBondContact O-N 3.09Å; V528-L543 CarbonylContact C-O 3.54Å; V528-L543 WeakPolarHBondContact CA-O 3.46Å; V528-V544 HydrophobicContact CG1-CG2 4.44Å; V528-V544 HydrophobicContact CG2-CG1 4.39Å; V528-V544 HydrophobicContact CG2-CG2 4.36Å
529	C	98.8	Very high	96.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.9	179.9	-50.4	0	0	0	0	109.8	V517 I520 V531 L542 L543	V517-C529 HydrophobicContact CG1-CB 4.11Å; I520-C529 HydrophobicContact CG2-CB 4.24Å; C529-V531 HydrophobicContact CB-CG2 4.05Å; C529-L542 CarbonylContact O-C 3.56Å; C529-L542 WeakPolarHBondContact O-CA 3.37Å; C529-L543 HydrophobicContact CB-CB 4.25Å; C529-L543 PolarHBondContact N-O 3.2Å; C529-L543 PolarHBondContact O-N 3.09Å
530	A	98.8	Very high	96.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.9	167	0	0	0	0	0	109.7	I229 L232 V517 W518 R519 L542	I229-A530 HydrophobicContact CB-CB 3.99Å; I229-A530 HydrophobicContact CD1-CB 4.12Å; I229-A530 HydrophobicContact CG2-CB 3.74Å; L232-A530 HydrophobicContact CD2-CB 4.28Å; V517-A530 CarbonylContact C-O 3.59Å; W518-A530 PolarHBondContact N-O 3.46Å; R519-A530 HydrophobicContact CB-CB 4.5Å; R519-A530 PolarHBondContact O-N 3.36Å; A530-L542 HydrophobicContact CB-CD2 3.71Å
531	V	98.6	Very high	96.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.2	-169	177.1	0	0	0	0	109.8	L508 V516 V517 C529 E538 T540 K541 L543	L508-V531 HydrophobicContact CD1-CG1 3.38Å; L508-V531 HydrophobicContact CD2-CG1 3.8Å; L508-V531 HydrophobicContact CG-CG1 4.23Å; V516-V531 WeakPolarHBondContact O-CA 3.21Å; V517-V531 HydrophobicContact CG1-CG2 4.34Å; V517-V531 HydrophobicContact CG2-CG2 4.18Å; C529-V531 HydrophobicContact CB-CG2 4.05Å; V531-E538 HydrophobicContact CG1-CG 3.77Å; V531-T540 CarbonylContact O-C 3.56Å; V531-T540 VanDerWaalsContact O-CA 3.31Å; V531-T540 WeakPolarHBondContact O-CA 3.39Å; V531-K541 HydrophobicContact CB-CG 4.46Å; V531-K541 PolarHBondContact N-O 2.85Å; V531-K541 PolarHBondContact O-N 3.43Å; V531-K541 VanDerWaalsContact O-O 3.04Å; V531-L543 HydrophobicContact CG2-CD1 3.96Å; V531-L543 HydrophobicContact CG2-CG 4.12Å
532	G	98.1	Very high	96.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.7	-164.6	169.6	0	0	0	0	0	111.2	V516 W518 E538	V516-G532 PolarHBondContact N-O 2.76Å; V516-G532 PolarHBondContact O-N 2.89Å; V516-G532 VanDerWaalsContact O-N 3.12Å; W518-G532 VanDerWaalsContact CH2-CA 3.5Å; G532-E538 CarbonylContact C-O 3.59Å
533	S	97.1	Very high	96.9	Very high	10 Å²	10	37.3 Å²	37.3	7%	0.07	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	158.5	178.4	64.1	0	0	0	0	110.5	G514 N535 G536 T537 E538	G514-S533 WeakPolarHBondContact O-CA 3.3Å; G514-S533 WeakPolarHBondContact O-CB 3.45Å; S533-N535 WeakPolarHBondContact CB-OD1 3.32Å; S533-G536 WeakPolarHBondContact OG-CA 3.43Å; S533-G536 PolarHBondContact OG-N 3.14Å; S533-G536 VanDerWaalsContact OG-N 3.09Å; S533-T537 PolarHBondContact OG-N 2.82Å; S533-T537 VanDerWaalsContact OG-N 3.08Å; S533-E538 PolarHBondContact N-O 3.46Å; S533-E538 VanDerWaalsContact N-O 3.08Å; S533-E538 PolarHBondContact OG-N 2.76Å; S533-E538 PolarHBondContact OG-O 2.74Å
534	R	92.6	Very high	97	Very high	232 Å²	232	35.6 Å²	35.6	88%	0.875	18%	0.184	S	C	*	.	S	Bend	trans	-89.1	-12.8	173.1	-64.8	-176.2	-176.7	171.1	4.8	113.3
535	N	93.1	Very high	97.2	Very high	100 Å²	100	32.8 Å²	32.8	54%	0.535	17%	0.168	S	C	.	.	S	Bend	trans	-117.8	9	-173.4	63.1	-8.8	0	0	0	112.8	S513 S533 T537	S513-N535 PolarHBondContact O-ND2 3.28Å; S533-N535 WeakPolarHBondContact CB-OD1 3.32Å; N535-T537 VanDerWaalsContact C-N 3.33Å; N535-T537 PolarHBondContact O-N 3.44Å; N535-T537 PolarHBondContact OD1-N 3.03Å; N535-T537 PolarHBondContact OD1-OG1 3.4Å
536	G	92.5	Very high	97.3	Very high	55 Å²	55	34 Å²	34	57%	0.567	17%	0.174	S	C	*	.	S	Bend	trans	78.6	6.3	176.2	0	0	0	0	0	115.5	S533 E538	S533-G536 WeakPolarHBondContact OG-CA 3.43Å; S533-G536 PolarHBondContact OG-N 3.14Å; S533-G536 VanDerWaalsContact OG-N 3.09Å; G536-E538 VanDerWaalsContact C-N 3.26Å; G536-E538 PolarHBondContact O-N 2.56Å
537	T	95.5	Very high	97.2	Very high	63 Å²	63	33.4 Å²	33.4	39%	0.387	17%	0.172	S	C	.	.	S	Bend	trans	-72.1	-22.3	177.1	56	0	0	0	0	113.4	S513 S533 N535	S513-T537 WeakPolarHBondContact O-CG2 3.49Å; S513-T537 PolarHBondContact O-OG1 2.85Å; S533-T537 PolarHBondContact OG-N 2.82Å; S533-T537 VanDerWaalsContact OG-N 3.08Å; N535-T537 VanDerWaalsContact C-N 3.33Å; N535-T537 PolarHBondContact O-N 3.44Å; N535-T537 PolarHBondContact OD1-N 3.03Å; N535-T537 PolarHBondContact OD1-OG1 3.4Å
538	E	97.1	Very high	97	Very high	33 Å²	33	35.7 Å²	35.7	15%	0.154	18%	0.184	C	C	.	.	S	Bend	trans	-133.6	116.4	175.6	-167.1	66.8	-148.4	0	0	108.8	S510 V531 G532 S533 G536 K541	S510-E538 WeakPolarHBondContact CB-OE2 3.3Å; S510-E538 PolarHBondContact OG-OE2 3.21Å; V531-E538 HydrophobicContact CG1-CG 3.77Å; G532-E538 CarbonylContact C-O 3.59Å; S533-E538 PolarHBondContact N-O 3.46Å; S533-E538 VanDerWaalsContact N-O 3.08Å; S533-E538 PolarHBondContact OG-N 2.76Å; S533-E538 PolarHBondContact OG-O 2.74Å; G536-E538 VanDerWaalsContact C-N 3.26Å; G536-E538 PolarHBondContact O-N 2.56Å; E538-K541 WeakPolarHBondContact OE1-CE 3.3Å; E538-K541 IonicContact OE1-NZ 2.89Å; E538-K541 PolarHBondContact OE1-NZ 2.89Å
539	E	97.4	Very high	96.6	Very high	105 Å²	105	37.2 Å²	37.2	49%	0.491	19%	0.193	S	C	.	.			trans	-58.7	139.2	172.1	-67.6	176.7	-179.6	0	0	110.5	K222 K541	K222-E539 WeakPolarHBondContact CE-OE2 3.47Å; K222-E539 IonicContact NZ-OE1 2.97Å; K222-E539 IonicContact NZ-OE2 2.81Å; K222-E539 PolarHBondContact NZ-OE2 3.37Å; E539-K541 PolarHBondContact O-N 3.48Å; E539-K541 PolarHBondContact O-NZ 2.99Å
540	T	98.4	Very high	95.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	23%	0.225	C	C	.	.			trans	-66.1	127.2	174.7	-63.2	0	0	0	0	111.5	H224 H227 I229 W518 V531	H224-T540 HydrophobicContact CB-CG2 3.97Å; H224-T540 WeakPolarHBondContact O-CB 3.4Å; H224-T540 VanDerWaalsContact O-CG2 3.31Å; H224-T540 WeakPolarHBondContact O-CG2 3.37Å; H227-T540 WeakPolarHBondContact O-CB 3.25Å; H227-T540 WeakPolarHBondContact O-CG2 3.33Å; H227-T540 PolarHBondContact O-OG1 3.37Å; I229-T540 HydrophobicContact CD1-CG2 3.74Å; I229-T540 HydrophobicContact CG1-CG2 3.71Å; W518-T540 HydrophobicContact CH2-CG2 4.16Å; W518-T540 HydrophobicContact CZ3-CG2 3.8Å; V531-T540 CarbonylContact O-C 3.56Å; V531-T540 VanDerWaalsContact O-CA 3.31Å; V531-T540 WeakPolarHBondContact O-CA 3.39Å
541	K	98.6	Very high	93.8	Very high	22 Å²	22	44.6 Å²	44.6	10%	0.096	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	167.7	-177.5	58.3	-176.1	155.9	-72.9	0	111.8	V220 L221 V531 E538 E539 L543	V220-K541 HydrophobicContact CG1-CB 4.35Å; V220-K541 HydrophobicContact CG1-CD 3.57Å; L221-K541 CarbonylContact O-C 3.55Å; L221-K541 VanDerWaalsContact O-CA 3.27Å; L221-K541 WeakPolarHBondContact O-CA 3.33Å; L221-K541 WeakPolarHBondContact O-CB 3.31Å; V531-K541 HydrophobicContact CB-CG 4.46Å; V531-K541 PolarHBondContact N-O 2.85Å; V531-K541 PolarHBondContact O-N 3.43Å; V531-K541 VanDerWaalsContact O-O 3.04Å; E538-K541 WeakPolarHBondContact OE1-CE 3.3Å; E538-K541 IonicContact OE1-NZ 2.89Å; E538-K541 PolarHBondContact OE1-NZ 2.89Å; E539-K541 PolarHBondContact O-N 3.48Å; E539-K541 PolarHBondContact O-NZ 2.99Å; K541-L543 HydrophobicContact CD-CD2 4.09Å; K541-L543 HydrophobicContact CG-CD2 4.46Å
542	L	98.8	Very high	91.3	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.8	161.7	-46.5	168.9	0	0	0	110.7	L221 I229 L232 I239 W251 C529 A530	L221-L542 HydrophobicContact CB-CB 3.9Å; L221-L542 HydrophobicContact CB-CG 4.47Å; L221-L542 HydrophobicContact CD1-CB 3.93Å; L221-L542 HydrophobicContact CD1-CD1 3.99Å; L221-L542 HydrophobicContact CG-CB 4.35Å; L221-L542 PolarHBondContact N-O 3.11Å; L221-L542 PolarHBondContact O-N 3.39Å; I229-L542 HydrophobicContact CD1-CD2 3.55Å; I229-L542 HydrophobicContact CD1-CG 4.24Å; L232-L542 HydrophobicContact CD1-CD1 4.41Å; L232-L542 HydrophobicContact CD1-CD2 3.93Å; I239-L542 HydrophobicContact CG2-CD1 3.75Å; W251-L542 HydrophobicContact CD2-CD1 4.46Å; W251-L542 HydrophobicContact CG-CD1 4.29Å; C529-L542 CarbonylContact O-C 3.56Å; C529-L542 WeakPolarHBondContact O-CA 3.37Å; A530-L542 HydrophobicContact CB-CD2 3.71Å
543	L	98.7	Very high	91	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.063	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.7	168.5	-56.7	179.7	0	0	0	109	P218 V220 V506 L508 V528 C529 V531 K541 L545	P218-L543 HydrophobicContact CB-CB 4.21Å; P218-L543 HydrophobicContact CG-CD2 4.33Å; V220-L543 HydrophobicContact CG2-CD2 3.92Å; V506-L543 HydrophobicContact CG1-CD1 3.91Å; L508-L543 HydrophobicContact CD2-CD1 4.25Å; V528-L543 CarbonylContact C-O 3.54Å; V528-L543 WeakPolarHBondContact CA-O 3.46Å; C529-L543 HydrophobicContact CB-CB 4.25Å; C529-L543 PolarHBondContact N-O 3.2Å; C529-L543 PolarHBondContact O-N 3.09Å; V531-L543 HydrophobicContact CG2-CD1 3.96Å; V531-L543 HydrophobicContact CG2-CG 4.12Å; K541-L543 HydrophobicContact CD-CD2 4.09Å; K541-L543 HydrophobicContact CG-CD2 4.46Å; L543-L545 HydrophobicContact CB-CD1 4.25Å
544	V	98.6	Very high	90.7	Very high	4 Å²	4	60 Å²	60	2%	0.024	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	110.2	175.8	-173.3	0	0	0	0	109.9	P218 K219 L221 I239 K526 L527 V528	P218-V544 WeakPolarHBondContact CA-O 3.45Å; K219-V544 HydrophobicContact CB-CB 4.27Å; K219-V544 PolarHBondContact N-O 2.87Å; K219-V544 PolarHBondContact O-N 2.92Å; L221-V544 HydrophobicContact CD1-CG2 3.59Å; L221-V544 HydrophobicContact CG-CG2 4.31Å; I239-V544 HydrophobicContact CD1-CG2 3.72Å; K526-V544 HydrophobicContact CD-CG1 4.47Å; L527-V544 CarbonylContact O-C 3.47Å; L527-V544 WeakPolarHBondContact O-CA 3.46Å; V528-V544 HydrophobicContact CG1-CG2 4.44Å; V528-V544 HydrophobicContact CG2-CG1 4.39Å; V528-V544 HydrophobicContact CG2-CG2 4.36Å
545	L	98.4	Very high	90.6	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.037	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142.5	176.1	-66.8	76.2	0	0	0	109.8	L215 P218 L505 V506 K526 L527 L543 F547	L215-L545 HydrophobicContact CD2-CD2 4.39Å; P218-L545 HydrophobicContact CB-CD1 3.92Å; P218-L545 HydrophobicContact CB-CG 4.03Å; L505-L545 HydrophobicContact CB-CD2 4.43Å; L505-L545 WeakPolarHBondContact O-CD2 3.45Å; V506-L545 HydrophobicContact CG2-CD1 3.89Å; V506-L545 HydrophobicContact CG2-CD2 4.12Å; K526-L545 VanDerWaalsContact CA-O 3.22Å; K526-L545 WeakPolarHBondContact CA-O 3.32Å; K526-L545 WeakPolarHBondContact CB-O 3.26Å; L527-L545 HydrophobicContact CB-CB 4.25Å; L527-L545 HydrophobicContact CD2-CD1 4.5Å; L527-L545 PolarHBondContact N-O 3.26Å; L527-L545 PolarHBondContact O-N 2.94Å; L543-L545 HydrophobicContact CB-CD1 4.25Å; L545-F547 HydrophobicContact CB-CE2 3.72Å; L545-F547 HydrophobicContact CB-CZ 4.09Å; L545-F547 HydrophobicContact CD2-CE2 4.39Å; L545-F547 HydrophobicContact CD2-CZ 4Å
546	D	96.9	Very high	90.4	Very high	50 Å²	50	47.5 Å²	47.5	27%	0.267	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.4	-177.2	-161.6	-10.3	0	0	0	111.5	K526 D548	K526-D546 IonicContact NZ-OD1 3.79Å; K526-D546 PolarHBondContact NZ-OD1 3.19Å; K526-D546 IonicContact NZ-OD2 3.84Å; K526-D546 PolarHBondContact NZ-OD2 2.91Å; D546-D548 VanDerWaalsContact OD1-CB 3.3Å; D546-D548 WeakPolarHBondContact OD1-CB 3.13Å; D546-D548 PolarHBondContact OD1-N 3.25Å
547	F	96.7	Very high	90.3	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.026	24%	0.235	C	C	.	.			trans	-104.9	7.5	178.9	-59.4	-83.3	0	0	0	112.3	N209 W210 L215 L505 T525 L527 L545	N209-F547 VanDerWaalsContact ND2-C 3.26Å; N209-F547 WeakPolarHBondContact ND2-CA 3.22Å; N209-F547 PolarHBondContact ND2-O 3.38Å; W210-F547 HydrophobicContact CB-CD1 4.5Å; W210-F547 HydrophobicContact CD2-CB 4.11Å; W210-F547 AromaticContact CD2-CD1 3.96Å; W210-F547 HydrophobicContact CD2-CD1 3.96Å; W210-F547 AromaticContact CD2-CD2 3.62Å; W210-F547 HydrophobicContact CD2-CD2 3.62Å; W210-F547 HydrophobicContact CD2-CE1 4.29Å; W210-F547 AromaticContact CD2-CE2 3.98Å; W210-F547 HydrophobicContact CD2-CE2 3.98Å; W210-F547 AromaticContact CD2-CG 3.61Å; W210-F547 HydrophobicContact CD2-CG 3.61Å; W210-F547 HydrophobicContact CD2-CZ 4.3Å; W210-F547 AromaticContact CE2-CD2 3.43Å; W210-F547 VanDerWaalsContact CE2-CD2 3.43Å; W210-F547 AromaticContact CE2-CG 3.61Å; W210-F547 HydrophobicContact CE3-CD1 4.26Å; W210-F547 AromaticContact CE3-CD2 3.76Å; W210-F547 HydrophobicContact CE3-CD2 3.76Å; W210-F547 HydrophobicContact CE3-CE1 4.11Å; W210-F547 AromaticContact CE3-CE2 3.6Å; W210-F547 HydrophobicContact CE3-CE2 3.6Å; W210-F547 HydrophobicContact CE3-CG 4.09Å; W210-F547 AromaticContact CE3-CZ 3.79Å; W210-F547 HydrophobicContact CE3-CZ 3.79Å; W210-F547 HydrophobicContact CG-CB 4.12Å; W210-F547 HydrophobicContact CG-CD1 4.07Å; W210-F547 HydrophobicContact CG-CD2 4.43Å; W210-F547 AromaticContact CG-CG 3.95Å; W210-F547 HydrophobicContact CG-CG 3.95Å; W210-F547 AromaticContact CH2-CD2 3.63Å; W210-F547 HydrophobicContact CH2-CD2 3.63Å; W210-F547 AromaticContact CH2-CE2 3.63Å; W210-F547 HydrophobicContact CH2-CE2 3.63Å; W210-F547 HydrophobicContact CZ2-CB 4.4Å; W210-F547 AromaticContact CZ2-CD2 3.43Å; W210-F547 HydrophobicContact CZ2-CD2 3.43Å; W210-F547 VanDerWaalsContact CZ2-CD2 3.43Å; W210-F547 AromaticContact CZ2-CE2 3.96Å; W210-F547 HydrophobicContact CZ2-CE2 3.96Å; W210-F547 HydrophobicContact CZ2-CG 4.11Å; W210-F547 AromaticContact CZ3-CD2 3.77Å; W210-F547 HydrophobicContact CZ3-CD2 3.77Å; W210-F547 AromaticContact CZ3-CE2 3.42Å; W210-F547 HydrophobicContact CZ3-CE2 3.42Å; W210-F547 VanDerWaalsContact CZ3-CE2 3.42Å; W210-F547 AromaticContact CZ3-CZ 3.95Å; W210-F547 HydrophobicContact CZ3-CZ 3.95Å; W210-F547 AromaticContact NE1-CG 3.88Å; L215-F547 HydrophobicContact CD2-CE1 3.91Å; L215-F547 HydrophobicContact CD2-CZ 4.18Å; L505-F547 HydrophobicContact CD1-CZ 4.43Å; L505-F547 HydrophobicContact CD2-CE1 4.2Å; L505-F547 HydrophobicContact CD2-CZ 3.96Å; T525-F547 WeakPolarHBondContact O-CA 3.5Å; T525-F547 PolarHBondContact O-N 3.23Å; L527-F547 HydrophobicContact CB-CE2 3.97Å; L545-F547 HydrophobicContact CB-CE2 3.72Å; L545-F547 HydrophobicContact CB-CZ 4.09Å; L545-F547 HydrophobicContact CD2-CE2 4.39Å; L545-F547 HydrophobicContact CD2-CZ 4Å
548	D	94.2	Very high	89.9	Confident	48 Å²	48	46 Å²	46	26%	0.257	22%	0.224	S	C	.	.			trans	-65.4	158.9	173.4	-153	-4.6	0	0	0	111.9	R202 T525 D546	R202-D548 IonicContact CZ-OD1 3.58Å; R202-D548 IonicContact NE-OD1 3.61Å; R202-D548 VanDerWaalsContact NH2-CG 3.3Å; R202-D548 IonicContact NH2-OD1 2.62Å; R202-D548 PolarHBondContact NH2-OD1 3.27Å; R202-D548 IonicContact NH2-OD2 3.54Å; R202-D548 PolarHBondContact NH2-OD2 2.77Å; T525-D548 HydrophobicContact CG2-CB 4.04Å; T525-D548 PolarHBondContact O-N 2.83Å; D546-D548 VanDerWaalsContact OD1-CB 3.3Å; D546-D548 WeakPolarHBondContact OD1-CB 3.13Å; D546-D548 PolarHBondContact OD1-N 3.25Å
549	V	89.8	Confident	89.4	Confident	32 Å²	32	46.9 Å²	46.9	19%	0.194	23%	0.229	C	C	.	.			trans	-119.6	129.2	-171.1	-177.3	0	0	0	0	110	R205 I206 M551	R205-V549 HydrophobicContact CB-CB 4.37Å; R205-V549 HydrophobicContact CB-CG1 4.07Å; R205-V549 HydrophobicContact CB-CG2 3.79Å; I206-V549 HydrophobicContact CG1-CG2 3.89Å; V549-M551 PolarHBondContact O-N 3.26Å
550	D	77.1	Confident	88.8	Confident	125 Å²	125	42.5 Å²	42.5	67%	0.668	21%	0.209	S	C	*	.			trans	-68.8	101.8	171.7	-71.7	-34	0	0	0	109.9	K552	D550-K552 PolarHBondContact O-N 3.38Å
551	M	61.9	Low	88	Confident	30 Å²	30	45.9 Å²	45.9	15%	0.148	23%	0.226	C	C	.	.			trans	-77.5	64.4	174.1	-68.6	-86.7	-81.4	0	0	110.4	L179 R182 R202 V549	L179-M551 HydrophobicContact CD2-CE 3.45Å; L179-M551 VanDerWaalsContact CD2-CE 3.45Å; R182-M551 PolarHBondContact NH1-O 3.1Å; R202-M551 HydrophobicContact CB-CE 3.89Å; R202-M551 HydrophobicContact CB-SD 3.95Å; R202-M551 HydrophobicContact CG-CE 4.46Å; R202-M551 HydrophobicContact CG-CG 4.33Å; R202-M551 HydrophobicContact CG-SD 4.21Å; V549-M551 PolarHBondContact O-N 3.26Å
552	K	46.4	Very low	87	Confident	214 Å²	214	48.1 Å²	48.1	93%	0.93	24%	0.238	S	C	*	.			trans	-61.9	0	171.7	-74.5	-175	-180	176.4	0	111.2	R184 D550	R184-K552 PolarHBondContact NH2-O 2.79Å; R184-K552 PolarHBondContact NH2-OXT 2.83Å; D550-K552 PolarHBondContact O-N 3.38Å

Retrieved 552 of 552 residues in 364.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).