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Dihydropyrimidinase-related protein 1

Necessary for signaling by class 3 semaphorins and subsequent remodeling of the cytoskeleton. Plays a role in axon guidance. During the axon guidance process, acts downstream of SEMA3A to promote FLNA dissociation from F-actin which results in the rearrangement of the actin cytoskeleton and the collapse of the growth cone. Involved in invasive growth and cell migration. May participate in cytokinesis.

AlphaFold DB , UniProt , Accession X5DNI1, Species HUMAN (Homo sapiens, Human), Gene CRMP1, Length 686 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	31.5	Very low	244 Å²	244	181.8 Å²	181.8	100%	1.202	88%	0.875	S	S	*	*				0	136.9	0	-76.6	179.2	171.8	0	0	108.3
2	A	30.9	Very low	32.1	Very low	90 Å²	90	180 Å²	180	74%	0.744	87%	0.873	S	S	*	*			trans	24.9	104.5	164.7	0	0	0	0	0	118.1
3	D	30.9	Very low	32.4	Very low	151 Å²	151	179.1 Å²	179.1	81%	0.807	88%	0.875	S	S	*	*				85.1	117.6	70.3	-85.2	-46.1	0	0	0	115.2
4	R	30.3	Very low	32.6	Very low	248 Å²	248	177.1 Å²	177.1	94%	0.936	87%	0.87	S	S	*	*			trans	-172.7	75.5	136.6	-102.7	168	-165.8	-159.6	5.4	110.7
5	R	31.1	Very low	32.8	Very low	249 Å²	249	170.1 Å²	170.1	94%	0.94	84%	0.843	S	S	*	*			trans	-91.4	128.2	152.2	-76.7	-178.6	173	177.9	-2.7	107.6
6	R	29.7	Very low	33	Very low	220 Å²	220	168.4 Å²	168.4	83%	0.83	84%	0.844	S	S	*	*			trans	-104.9	105.9	164	-87.2	-173.3	172.8	178.9	-3.4	108.3
7	A	28.8	Very low	33.1	Very low	97 Å²	97	168.9 Å²	168.9	80%	0.802	84%	0.836	S	S	*	*			trans	-70.9	140.7	157.3	0	0	0	0	0	108.3
8	W	29.2	Very low	33.2	Very low	230 Å²	230	166.8 Å²	166.8	87%	0.871	83%	0.827	S	S	*	*			trans	-105.4	130.4	162.5	-77.3	65.5	0	0	0	107.1
9	N	30.8	Very low	33.4	Very low	151 Å²	151	162.7 Å²	162.7	81%	0.807	82%	0.822	S	S	*	*			trans	-143.5	176.4	171.2	-137.8	7.1	0	0	0	107
10	T	31.8	Very low	33.4	Very low	131 Å²	131	166.6 Å²	166.6	80%	0.804	83%	0.826	S	S	*	*			trans	68.6	109.7	-174.7	44.7	0	0	0	0	116	D12	T10-D12 PolarHBondContact O-N 3.41Å
11	E	38.4	Very low	33.3	Very low	189 Å²	189	165.2 Å²	165.2	88%	0.883	83%	0.83	S	S	*	*			trans	-40.9	116.9	148.8	-56.5	160.7	121.2	0	0	110.9
12	D	38.6	Very low	33.1	Very low	160 Å²	160	156.7 Å²	156.7	86%	0.856	80%	0.804	S	S	*	*			trans	178.9	70.5	151.2	-99.9	-22.2	0	0	0	108.8	T10	T10-D12 PolarHBondContact O-N 3.41Å
13	D	36.5	Very low	33.4	Very low	168 Å²	168	158.6 Å²	158.6	90%	0.898	81%	0.812	S	S	*	*			trans	-169.3	75.7	159.9	-105.2	-25.9	0	0	0	110
14	L	35	Very low	33.4	Very low	152 Å²	152	156 Å²	156	80%	0.796	81%	0.811	S	S	*	*			trans	-116.8	131.2	164.6	-83.6	173.5	0	0	0	109.4
15	P	36.3	Very low	33.9	Very low	72 Å²	72	149.6 Å²	149.6	47%	0.468	81%	0.812	S	S	.	*			trans	-71.1	153.6	-174.4	-13.2	27.3	0	0	0	112.9	Y17	P15-Y17 HydrophobicContact CB-CD1 3.81Å; P15-Y17 HydrophobicContact CB-CE1 3.52Å; P15-Y17 HydrophobicContact CG-CE1 3.8Å; P15-Y17 PolarHBondContact O-N 3.39Å
16	V	36.1	Very low	34.2	Very low	143 Å²	143	146.6 Å²	146.6	87%	0.867	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	13.8	-163.2	-174.5	0	0	0	0	115
17	Y	34.2	Very low	34.6	Very low	177 Å²	177	142.5 Å²	142.5	69%	0.694	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	2.6	178.7	59.6	-105.2	0	0	0	115.1	P15	P15-Y17 HydrophobicContact CB-CD1 3.81Å; P15-Y17 HydrophobicContact CB-CE1 3.52Å; P15-Y17 HydrophobicContact CG-CE1 3.8Å; P15-Y17 PolarHBondContact O-N 3.39Å
18	L	35.5	Very low	34.8	Very low	131 Å²	131	143.5 Å²	143.5	69%	0.686	81%	0.806	S	S	*	*			trans	-117.6	11.8	-178.8	-70.4	175.2	0	0	0	115.7
19	A	35.3	Very low	35.3	Very low	88 Å²	88	142.5 Å²	142.5	73%	0.727	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-73.3	133.6	173.7	0	0	0	0	0	111.7
20	R	33.8	Very low	35.6	Very low	241 Å²	241	142.9 Å²	142.9	91%	0.909	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-60.6	144.2	-173.4	-67.1	178.2	176.5	178.5	-1.2	113.1
21	P	32.7	Very low	35.8	Very low	138 Å²	138	146.5 Å²	146.5	90%	0.896	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-75.2	133.4	177	30.8	-34.1	0	0	0	112
22	G	29.3	Very low	35.8	Very low	64 Å²	64	147 Å²	147	66%	0.66	80%	0.799	S	S	*	*			trans	-150.6	131.1	175.5	0	0	0	0	0	112.6
23	S	37.3	Very low	35.7	Very low	131 Å²	131	143.2 Å²	143.2	92%	0.916	80%	0.798	S	S	*	*			trans	56.7	74.4	168.1	60.1	0	0	0	0	118.9
24	A	31.5	Very low	35.8	Very low	96 Å²	96	138 Å²	138	79%	0.793	79%	0.785	S	S	*	*			trans	-136.3	127.1	139.1	0	0	0	0	0	108.1	Q26	A24-Q26 PolarHBondContact O-N 3.46Å
25	A	40.4	Very low	36.1	Very low	114 Å²	114	139 Å²	139	94%	0.942	79%	0.787	S	S	*	*			trans	-71.7	118.5	-170	0	0	0	0	0	112
26	Q	36.3	Very low	36.8	Very low	185 Å²	185	145.4 Å²	145.4	86%	0.864	81%	0.808	S	S	*	*			trans	-115.6	118.6	163.2	-69.3	-170.3	-6.5	0	0	108.9	A24	A24-Q26 PolarHBondContact O-N 3.46Å
27	T	38	Very low	37.1	Very low	135 Å²	135	142.3 Å²	142.3	83%	0.828	80%	0.797	S	S	*	*			trans	-60.7	127.7	174.8	36	0	0	0	0	110.6	R29	T27-R29 PolarHBondContact O-N 3.44Å
28	P	34	Very low	37.6	Very low	118 Å²	118	138.9 Å²	138.9	77%	0.766	81%	0.806	S	S	*	*			trans	-69.5	132.7	-177.5	27.6	-33.9	0	0	0	111.3	Q30	P28-Q30 PolarHBondContact O-N 3.29Å
29	R	39.3	Very low	38.1	Very low	208 Å²	208	137.3 Å²	137.3	79%	0.785	80%	0.801	S	S	*	*			trans	-66	114	172.1	-77.9	179.2	164	175.4	-8	109.9	T27	T27-R29 PolarHBondContact O-N 3.44Å
30	Q	36.9	Very low	38.1	Very low	160 Å²	160	141.9 Å²	141.9	75%	0.748	81%	0.808	S	S	*	*			trans	-65.8	131.9	171.2	-78.3	-176.9	-33	0	0	110.7	P28 Y32	P28-Q30 PolarHBondContact O-N 3.29Å; Q30-Y32 HydrophobicContact CB-CE2 4.48Å
31	K	35.9	Very low	39.1	Very low	207 Å²	207	132.9 Å²	132.9	90%	0.9	79%	0.79	S	S	*	*			trans	-88.9	114	166.5	-76	-177.6	175.1	179.2	0	109.2
32	Y	39.9	Very low	39.7	Very low	198 Å²	198	129.9 Å²	129.9	78%	0.776	78%	0.777	S	S	*	*			trans	-89.7	144.5	152.8	-77.8	-88.3	0	0	0	108.8	Q30	Q30-Y32 HydrophobicContact CB-CE2 4.48Å
33	G	34.9	Very low	40.4	Very low	81 Å²	81	137.6 Å²	137.6	84%	0.835	79%	0.787	S	S	*	*			trans	-75.3	163	-161.5	0	0	0	0	0	115.4
34	G	38.5	Very low	40.6	Very low	60 Å²	60	138 Å²	138	62%	0.619	78%	0.775	S	S	*	*			trans	137	118.5	173.9	0	0	0	0	0	112.3	F36	G34-F36 PolarHBondContact O-N 2.85Å
35	M	41.8	Very low	41.1	Very low	173 Å²	173	141.3 Å²	141.3	85%	0.852	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	124.1	160.3	-155.9	178.1	-65.4	0	0	105.9
36	F	50.3	Low	41.1	Very low	206 Å²	206	143.9 Å²	143.9	90%	0.904	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.3	53.4	-172.7	-44.4	-72.2	0	0	0	118	G34	G34-F36 PolarHBondContact O-N 2.85Å
37	A	42.5	Very low	41.2	Very low	77 Å²	77	141.7 Å²	141.7	64%	0.636	77%	0.769	S	S	*	*			trans	-114.8	137.2	158.7	0	0	0	0	0	111.2
38	A	44.7	Very low	41.2	Very low	106 Å²	106	141.4 Å²	141.4	88%	0.876	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-81.1	143.9	177.6	0	0	0	0	0	111.5
39	V	46.3	Very low	41.3	Very low	97 Å²	97	141.2 Å²	141.2	59%	0.588	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-89.2	126.9	-178.9	-177.7	0	0	0	0	110.5
40	E	36.5	Very low	41.3	Very low	185 Å²	185	138.9 Å²	138.9	86%	0.864	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	135.2	176.2	-158.3	168.6	-148.5	0	0	111.3
41	G	53.4	Low	41.5	Very low	52 Å²	52	137.6 Å²	137.6	54%	0.536	75%	0.747	S	S	.	*	T	Hydrogen-bonded Turn	trans	89.6	11.7	-178.7	0	0	0	0	0	116.7	Y43	G41-Y43 PolarHBondContact O-N 3.45Å
42	A	45	Very low	41.8	Very low	75 Å²	75	131.8 Å²	131.8	62%	0.62	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-2.8	-177.7	0	0	0	0	0	116.6
43	Y	45.4	Very low	41.6	Very low	226 Å²	226	132.4 Å²	132.4	89%	0.886	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.8	13.1	-172.5	-65.7	-74.3	0	0	0	114.8	G41 N45	G41-Y43 PolarHBondContact O-N 3.45Å; Y43-N45 PolarHBondContact O-N 3.1Å; Y43-N45 VanDerWaalsContact O-N 3.14Å
44	E	41.2	Very low	41.7	Very low	139 Å²	139	132.9 Å²	132.9	65%	0.65	73%	0.731	S	S	*	*			trans	-77.9	95.4	173.7	-75.1	-165.5	-170.1	0	0	112.1	K46	E44-K46 PolarHBondContact O-N 3.31Å; E44-K46 WeakPolarHBondContact OE2-CE 3.35Å; E44-K46 IonicContact OE2-NZ 2.67Å; E44-K46 PolarHBondContact OE2-NZ 3.32Å
45	N	42.6	Very low	41.4	Very low	165 Å²	165	137 Å²	137	88%	0.882	74%	0.743	S	S	*	*			trans	-65.5	123.2	164.5	-87.5	-17.6	0	0	0	110.5	Y43	Y43-N45 PolarHBondContact O-N 3.1Å; Y43-N45 VanDerWaalsContact O-N 3.14Å
46	K	40.7	Very low	41.1	Very low	168 Å²	168	132.6 Å²	132.6	73%	0.73	74%	0.743	S	S	*	*			trans	-124.5	111	164.7	-73.4	177.6	-178.2	149.2	0	109.5	E44	E44-K46 PolarHBondContact O-N 3.31Å; E44-K46 WeakPolarHBondContact OE2-CE 3.35Å; E44-K46 IonicContact OE2-NZ 2.67Å; E44-K46 PolarHBondContact OE2-NZ 3.32Å
47	T	36.6	Very low	40.1	Very low	140 Å²	140	134.3 Å²	134.3	86%	0.859	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-63.3	145.1	176.2	-43.3	0	0	0	0	110.3	D49	T47-D49 PolarHBondContact O-N 2.81Å
48	I	38.6	Very low	39.6	Very low	128 Å²	128	143 Å²	143	66%	0.656	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-69.7	127.7	178.2	-63.4	170.6	0	0	0	109.6	F50	I48-F50 HydrophobicContact CB-CE2 4.11Å; I48-F50 HydrophobicContact CG2-CD2 4.19Å; I48-F50 HydrophobicContact CG2-CE2 3.87Å; I48-F50 HydrophobicContact CG2-CZ 4.07Å
49	D	36.8	Very low	38.7	Very low	115 Å²	115	141.5 Å²	141.5	62%	0.615	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-85.5	126	170.2	-175.3	-7.7	0	0	0	109.5	T47 D51	T47-D49 PolarHBondContact O-N 2.81Å; D49-D51 PolarHBondContact OD1-N 3.15Å
50	F	39.9	Very low	37.8	Very low	159 Å²	159	142.9 Å²	142.9	70%	0.697	77%	0.768	S	S	*	*	S	Bend	trans	-97.8	-8.2	-174.7	-80.2	-86.8	0	0	0	113.9	I48 A52	I48-F50 HydrophobicContact CB-CE2 4.11Å; I48-F50 HydrophobicContact CG2-CD2 4.19Å; I48-F50 HydrophobicContact CG2-CE2 3.87Å; I48-F50 HydrophobicContact CG2-CZ 4.07Å; F50-A52 PolarHBondContact O-N 2.87Å
51	D	40.6	Very low	37.4	Very low	133 Å²	133	138.1 Å²	138.1	71%	0.711	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-73	-18.1	-179	-78	-22.5	0	0	0	112.8	D49 Y53 S54	D49-D51 PolarHBondContact OD1-N 3.15Å; D51-Y53 PolarHBondContact O-N 3.32Å; D51-Y53 VanDerWaalsContact O-N 3.11Å; D51-S54 PolarHBondContact O-OG 3.15Å
52	A	42.5	Very low	36.2	Very low	85 Å²	85	147.4 Å²	147.4	70%	0.702	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-67.5	-6.8	-179.7	0	0	0	0	0	115.7	F50	F50-A52 PolarHBondContact O-N 2.87Å
53	Y	34.3	Very low	35.5	Very low	210 Å²	210	150.1 Å²	150.1	82%	0.824	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-104.3	9.6	-172.7	-88.9	-79.7	0	0	0	115.8	D51	D51-Y53 PolarHBondContact O-N 3.32Å; D51-Y53 VanDerWaalsContact O-N 3.11Å
54	S	37.7	Very low	35.3	Very low	91 Å²	91	144.5 Å²	144.5	64%	0.636	78%	0.779	S	S	*	*			trans	-117.6	64.3	-166	63.7	0	0	0	0	116.3	D51	D51-S54 PolarHBondContact O-OG 3.15Å
55	V	33	Very low	34.7	Very low	146 Å²	146	149.1 Å²	149.1	89%	0.885	79%	0.791	S	S	*	*			trans	-141.6	106.1	163	-127.9	0	0	0	0	115.8
56	G	33.7	Very low	34	Very low	81 Å²	81	146.3 Å²	146.3	84%	0.835	78%	0.784	S	S	*	*			trans	-131.5	88.7	156.9	0	0	0	0	0	110.3
57	R	30.8	Very low	33.5	Very low	242 Å²	242	143.4 Å²	143.4	91%	0.913	79%	0.792	S	S	*	*			trans	-140.9	124.1	167.8	-82.4	-165.3	172.1	-160.5	-1.3	111.5
58	R	30.6	Very low	32.9	Very low	260 Å²	260	140.5 Å²	140.5	98%	0.981	79%	0.789	S	S	*	*			trans	-77.4	146.6	169.3	-70.4	179.4	172.9	-176.5	-2.3	110.3
59	G	27	Very low	32.5	Very low	74 Å²	74	146.1 Å²	146.1	76%	0.763	80%	0.802	S	S	*	*			trans	177.5	89.6	168.7	0	0	0	0	0	115.8
60	S	26.9	Very low	33	Very low	127 Å²	127	145.3 Å²	145.3	89%	0.888	80%	0.803	S	S	*	*			trans	34.4	118.9	148.7	-167.2	0	0	0	0	121
61	A	28.4	Very low	32.5	Very low	84 Å²	84	145 Å²	145	69%	0.694	81%	0.809	S	S	*	*				-179.4	135.5	115.6	0	0	0	0	0	115.2
62	R	28.9	Very low	32.1	Very low	247 Å²	247	142.4 Å²	142.4	93%	0.932	81%	0.806	S	S	*	*			trans	51.1	112.5	141.5	-65.9	178.3	172.5	170.9	-2.7	121.7
63	T	30	Very low	31.5	Very low	132 Å²	132	145.7 Å²	145.7	81%	0.81	82%	0.817	S	S	*	*			trans	-72.3	161.6	143.1	52.4	0	0	0	0	110.2
64	P	40.6	Very low	31.2	Very low	108 Å²	108	139.1 Å²	139.1	70%	0.701	81%	0.814	S	S	*	*				-155.7	159.4	74.4	40.8	-20.2	0	0	0	119.6
65	R	28.1	Very low	31	Very low	237 Å²	237	143.2 Å²	143.2	89%	0.894	83%	0.827	S	S	*	*			trans	60.8	146	141.8	-75.9	176.8	172.8	174.6	-3.3	119.7
66	S	28.8	Very low	31.8	Very low	106 Å²	106	142.1 Å²	142.1	74%	0.741	82%	0.823	S	S	*	*			cis	172.5	167.6	9.4	44.4	0	0	0	0	110
67	A	29.4	Very low	31.5	Very low	107 Å²	107	141.5 Å²	141.5	88%	0.884	82%	0.817	S	S	*	*			trans	72.6	145	164.7	0	0	0	0	0	117.8
68	G	25.3	Very low	32.7	Very low	79 Å²	79	136.7 Å²	136.7	81%	0.814	82%	0.817	S	S	*	*			cis	-164	166.6	-1	0	0	0	0	0	113.3
69	R	30.1	Very low	32.6	Very low	246 Å²	246	128.3 Å²	128.3	93%	0.928	81%	0.812	S	S	*	*			trans	-94.3	171.5	174.2	-120.4	-177.5	-168.5	-174	3.4	109.4
70	P	47.1	Very low	32.7	Very low	98 Å²	98	128.8 Å²	128.8	64%	0.636	82%	0.816	S	S	*	*				-156.5	-176.2	57.4	45.4	-23.7	0	0	0	119.1
71	D	29.6	Very low	32.9	Very low	151 Å²	151	128.6 Å²	128.6	81%	0.807	82%	0.815	S	S	*	*			trans	69.4	147.6	150.9	-60.5	-22.4	0	0	0	121.3
72	A	31.1	Very low	33	Very low	79 Å²	79	132.5 Å²	132.5	65%	0.653	82%	0.819	S	S	*	*			cis	-164	153.6	-4.3	0	0	0	0	0	113.8
73	V	31	Very low	33.2	Very low	154 Å²	154	127.4 Å²	127.4	93%	0.933	81%	0.81	S	S	*	*			trans	51.1	140.1	143	-175.1	0	0	0	0	120.3
74	G	27	Very low	33.3	Very low	73 Å²	73	126.9 Å²	126.9	75%	0.753	81%	0.807	S	S	*	*			cis	-179.1	176.4	3.5	0	0	0	0	0	114.2
75	L	33.5	Very low	32.7	Very low	177 Å²	177	125.9 Å²	125.9	93%	0.927	81%	0.808	S	S	*	*			trans	-96.8	-176.6	-176.9	-82.1	164.7	0	0	0	112.3
76	P	49.1	Very low	32.9	Very low	123 Å²	123	119.7 Å²	119.7	80%	0.799	80%	0.801	S	S	*	*			cis	-144.4	-171.8	19.7	40.9	-17.2	0	0	0	119
77	G	28.8	Very low	32.9	Very low	68 Å²	68	121.8 Å²	121.8	70%	0.701	80%	0.804	S	S	*	*			trans	-91.9	-140.2	174.6	0	0	0	0	0	114.5
78	P	55.2	Low	33	Very low	141 Å²	141	122.2 Å²	122.2	92%	0.916	80%	0.795	S	S	*	*			cis	-144.2	-162.5	-4.9	45	-24.6	0	0	0	116.4
79	G	28.5	Very low	33.2	Very low	84 Å²	84	123.2 Å²	123.2	87%	0.866	79%	0.79	S	S	*	*			trans	114	152.2	166	0	0	0	0	0	115
80	G	29.6	Very low	33.3	Very low	83 Å²	83	120.2 Å²	120.2	86%	0.856	79%	0.786	S	S	*	*			cis	161.2	158.5	0.5	0	0	0	0	0	107.8
81	S	30	Very low	33.4	Very low	124 Å²	124	120.5 Å²	120.5	87%	0.867	79%	0.788	S	S	*	*			cis	-152.6	-144.2	1	56.4	0	0	0	0	110.9
82	E	31.8	Very low	33.4	Very low	166 Å²	166	119.1 Å²	119.1	78%	0.776	79%	0.79	S	S	*	*			trans	-120.2	176.6	-166.1	-66.2	158.8	127.4	0	0	116.5
83	D	33.1	Very low	33.2	Very low	140 Å²	140	118.5 Å²	118.5	75%	0.749	79%	0.791	S	S	*	*			trans	72	153.7	146.8	-71.3	-9.5	0	0	0	122
84	T	30.9	Very low	33.1	Very low	121 Å²	121	117.4 Å²	117.4	74%	0.742	79%	0.791	S	S	*	*			cis	-162.7	148.2	-5	18.8	0	0	0	0	113.4
85	A	29.6	Very low	33.3	Very low	87 Å²	87	118.1 Å²	118.1	72%	0.719	79%	0.789	S	S	*	*				48.8	135.6	127	0	0	0	0	0	128.2
86	S	31.5	Very low	33.1	Very low	107 Å²	107	116.3 Å²	116.3	75%	0.748	79%	0.785	S	S	*	*				79.3	126.3	127.5	66.8	0	0	0	0	126.5
87	D	29.7	Very low	32.1	Very low	150 Å²	150	116 Å²	116	80%	0.802	79%	0.786	S	S	*	*				84.6	112.3	125.6	-80.7	17.8	0	0	0	128.2
88	V	29.9	Very low	32.1	Very low	116 Å²	116	118.4 Å²	118.4	70%	0.703	79%	0.792	S	S	*	*				82.9	119.1	110.6	173.4	0	0	0	0	125
89	S	29.8	Very low	31.3	Very low	100 Å²	100	118 Å²	118	70%	0.699	79%	0.789	S	S	*	*			trans	83.2	121.3	141.3	68.2	0	0	0	0	127.1
90	E	31.8	Very low	31.1	Very low	183 Å²	183	117.4 Å²	117.4	86%	0.855	78%	0.784	S	S	*	*				60.3	168.8	128.7	-70.4	-149.7	175.9	0	0	123.4
91	P	49.2	Very low	31.1	Very low	103 Å²	103	122.4 Å²	122.4	67%	0.669	79%	0.785	S	S	*	*			cis	-139.3	-178.3	6.9	39.4	-19.1	0	0	0	119.5
92	S	29.8	Very low	31.1	Very low	122 Å²	122	128.2 Å²	128.2	85%	0.853	79%	0.788	S	S	*	*			trans	78.3	145.4	153.9	75.5	0	0	0	0	121.7
93	G	28.5	Very low	31	Very low	66 Å²	66	127.3 Å²	127.3	68%	0.68	79%	0.788	S	S	*	*			cis	170.6	137.1	-14.3	0	0	0	0	0	116.9
94	S	28.8	Very low	30.8	Very low	132 Å²	132	129.7 Å²	129.7	92%	0.923	80%	0.795	S	S	*	*			trans	68.7	153	165.4	79.7	0	0	0	0	119.4
95	A	29.5	Very low	30.9	Very low	87 Å²	87	134.3 Å²	134.3	72%	0.719	80%	0.798	S	S	*	*			cis	-157.4	149.7	11.7	0	0	0	0	0	115.6
96	V	29.5	Very low	31.2	Very low	139 Å²	139	135.6 Å²	135.6	84%	0.842	80%	0.799	S	S	*	*			trans	53.8	107.5	148.1	-176.5	0	0	0	0	122.2
97	S	28.3	Very low	31.3	Very low	117 Å²	117	137 Å²	137	82%	0.818	81%	0.806	S	S	*	*				166.9	143	108.9	45.7	0	0	0	0	113.5
98	S	28.3	Very low	31.4	Very low	118 Å²	118	135.8 Å²	135.8	83%	0.825	80%	0.804	S	S	*	*			trans	-115.3	174.4	176.3	-49.8	0	0	0	0	109.6
99	P	38.6	Very low	31.5	Very low	132 Å²	132	138.1 Å²	138.1	86%	0.857	81%	0.812	S	S	*	*			cis	-136.4	176.5	5	42.2	-25.2	0	0	0	115.5
100	G	25	Very low	31.5	Very low	73 Å²	73	144.9 Å²	144.9	75%	0.753	82%	0.822	S	S	*	*			trans	151	108.9	158.4	0	0	0	0	0	116.7
101	E	30	Very low	31.6	Very low	187 Å²	187	142.3 Å²	142.3	87%	0.874	81%	0.813	S	S	*	*			trans	-8.1	136.8	160.9	-56.4	174.2	138.7	0	0	120
102	R	29.1	Very low	30.7	Very low	247 Å²	247	149.2 Å²	149.2	93%	0.932	83%	0.825	S	S	*	*				-163.9	123.1	123.2	-105.3	158.8	-143.4	-140.2	3.6	112.4
103	D	29.9	Very low	30.6	Very low	146 Å²	146	154.1 Å²	154.1	78%	0.781	83%	0.825	S	S	*	*			trans	-105.7	118.1	172.2	-165.7	27.3	0	0	0	106.9	R105	D103-R105 PolarHBondContact O-N 2.81Å
104	E	29.3	Very low	30.8	Very low	191 Å²	191	157 Å²	157	89%	0.893	83%	0.832	S	S	*	*			trans	-80.7	115.4	-173.9	-72.1	-162.7	143.2	0	0	111.5
105	R	32.9	Very low	30.9	Very low	217 Å²	217	155 Å²	155	82%	0.819	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-103	146.6	167.5	-68.3	-172.4	-174.7	-174.4	2.7	110.9	D103	D103-R105 PolarHBondContact O-N 2.81Å
106	P	35.7	Very low	30.9	Very low	114 Å²	114	156.9 Å²	156.9	74%	0.74	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-63.4	158.9	175.6	27.1	-34.7	0	0	0	112.3	T108	P106-T108 PolarHBondContact O-N 3.26Å
107	P	33.3	Very low	30.9	Very low	136 Å²	136	161.8 Å²	161.8	88%	0.883	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-72	128.6	-161.6	27.6	-35.5	0	0	0	113.6
108	T	31.3	Very low	31	Very low	125 Å²	125	163.6 Å²	163.6	77%	0.767	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-89.7	146.9	171.5	44.3	0	0	0	0	112.1	P106 R110	P106-T108 PolarHBondContact O-N 3.26Å; T108-R110 PolarHBondContact O-N 2.87Å
109	L	33.8	Very low	31.4	Very low	165 Å²	165	166.4 Å²	166.4	86%	0.864	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-52.6	132.5	175.6	-84.5	120.8	0	0	0	112.2
110	R	28.5	Very low	31.1	Very low	243 Å²	243	165.5 Å²	165.5	92%	0.917	83%	0.832	S	S	*	*			trans	-113.3	108.5	171.7	-79.9	-173	170.6	-173.9	-1.6	111.3	T108	T108-R110 PolarHBondContact O-N 2.87Å
111	I	34.6	Very low	32	Very low	128 Å²	128	170.7 Å²	170.7	66%	0.656	84%	0.841	S	S	*	*			trans	-91.1	130.7	169.1	-62.6	170.8	0	0	0	109.3	R113	I111-R113 HydrophobicContact CG2-CG 4.31Å
112	R	30.3	Very low	32	Very low	248 Å²	248	165.4 Å²	165.4	94%	0.936	84%	0.837	S	S	*	*			trans	-81.7	120.9	164.7	-96.9	-178.5	164.5	-179.7	-4.1	109.5
113	R	28.4	Very low	32.2	Very low	225 Å²	225	164.5 Å²	164.5	85%	0.849	83%	0.833	S	S	*	*			trans	-107.4	140.5	169.5	-68.6	-174.8	177.8	-175.8	-0.5	110.9	I111	I111-R113 HydrophobicContact CG2-CG 4.31Å
114	P	32.2	Very low	32.6	Very low	127 Å²	127	165.2 Å²	165.2	83%	0.825	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-72.9	161.4	158.1	-11.5	28.6	0	0	0	111.5
115	A	30.8	Very low	32.7	Very low	91 Å²	91	162.5 Å²	162.5	75%	0.752	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-69.5	156.8	-179	0	0	0	0	0	113.2
116	P	29.5	Very low	33	Very low	126 Å²	126	156 Å²	156	82%	0.818	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-74.7	146.6	-172.6	31.1	-35.6	0	0	0	113
117	R	30	Very low	33.6	Very low	241 Å²	241	158.7 Å²	158.7	91%	0.909	83%	0.832	S	S	*	*			trans	-132.1	152.6	157.7	-79.1	-171.1	173.8	-176	-1.8	109
118	D	30.4	Very low	34.9	Very low	156 Å²	156	154.3 Å²	154.3	83%	0.834	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-62.6	150.4	-162.2	-54.1	-79	0	0	0	114.7	P120	D118-P120 WeakPolarHBondContact O-CD 3.14Å
119	L	35.9	Very low	37.4	Very low	177 Å²	177	152.1 Å²	152.1	93%	0.927	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-69	129.2	176.3	-69.9	162.5	0	0	0	111.7
120	P	32.5	Very low	40.3	Very low	113 Å²	113	147.2 Å²	147.2	73%	0.734	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-98.3	140.9	149.3	3.5	18	0	0	0	109.5	D118 G122	D118-P120 WeakPolarHBondContact O-CD 3.14Å; P120-G122 PolarHBondContact O-N 2.85Å
121	L	43	Very low	43.6	Very low	182 Å²	182	136 Å²	136	95%	0.953	72%	0.717	S	S	*	*			trans	-57.3	110.5	167	-75.8	133.6	0	0	0	109.5	R123	L121-R123 PolarHBondContact O-N 3.17Å
122	G	30.1	Very low	46.6	Very low	76 Å²	76	130.1 Å²	130.1	78%	0.784	69%	0.687	S	S	*	*			trans	-74	114.8	-174.6	0	0	0	0	0	112.2	P120	P120-G122 PolarHBondContact O-N 2.85Å
123	R	33	Very low	49.8	Very low	228 Å²	228	118.3 Å²	118.3	86%	0.86	64%	0.642	S	S	*	*			trans	-61.9	141.4	157.2	-74	175.3	170.3	169	-4.6	109	L121 N125	L121-R123 PolarHBondContact O-N 3.17Å; R123-N125 PolarHBondContact O-N 3.08Å
124	D	40	Very low	53.1	Low	160 Å²	160	110.3 Å²	110.3	86%	0.856	61%	0.613	S	S	*	*			trans	-70.7	80.5	171.8	-165	12.7	0	0	0	110.1	G126	D124-G126 PolarHBondContact O-N 2.67Å
125	N	30.7	Very low	56	Low	134 Å²	134	106 Å²	106	72%	0.717	59%	0.592	S	S	*	*			trans	-76.9	111.6	163.8	-82.5	-8.5	0	0	0	106.6	R123 Q127	R123-N125 PolarHBondContact O-N 3.08Å; N125-Q127 PolarHBondContact O-N 3.12Å
126	G	39.8	Very low	59	Low	82 Å²	82	101.6 Å²	101.6	85%	0.845	56%	0.556	S	S	*	*			trans	-64.9	63.7	-174	0	0	0	0	0	116.1	D124	D124-G126 PolarHBondContact O-N 2.67Å
127	Q	47.8	Very low	62.3	Low	170 Å²	170	98 Å²	98	79%	0.794	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-83.6	121	154.1	-78.1	-176.9	-32.2	0	0	107.4	N125	N125-Q127 PolarHBondContact O-N 3.12Å
128	S	61.3	Low	65.6	Low	43 Å²	43	86.7 Å²	86.7	30%	0.301	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-62.9	146.8	170.9	46.4	0	0	0	0	110.7	R130 D153	S128-R130 PolarHBondContact O-N 2.94Å; S128-D153 WeakPolarHBondContact CB-OD1 3.34Å; S128-D153 PolarHBondContact OG-OD1 3.38Å
129	D	82.9	Confident	68.8	Low	79 Å²	79	79.2 Å²	79.2	42%	0.422	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-63.3	120.4	170.6	-72.6	-60.5	0	0	0	108.7	K565	D129-K565 HydrophobicContact CB-CG 4.39Å; D129-K565 VanDerWaalsContact OD2-CD 3.31Å; D129-K565 WeakPolarHBondContact OD2-CD 3.49Å; D129-K565 WeakPolarHBondContact OD2-CE 3.36Å; D129-K565 WeakPolarHBondContact OD2-CG 3.47Å; D129-K565 IonicContact OD2-NZ 2.87Å
130	R	94.7	Very high	71.8	Confident	62 Å²	62	71.2 Å²	71.2	23%	0.234	40%	0.401	C	S	.	.			trans	-112.2	118.7	178.6	-60.8	177.1	-58.9	154.8	13	109.1	S128 Y150 L151 E152 G167 G168 V169 K170	S128-R130 PolarHBondContact O-N 2.94Å; R130-Y150 HydrophobicContact CB-CE2 4.36Å; R130-Y150 WeakPolarHBondContact CD-OH 3.41Å; R130-L151 WeakPolarHBondContact CA-O 3.5Å; R130-E152 VanDerWaalsContact CD-OE1 3.24Å; R130-E152 WeakPolarHBondContact CD-OE1 3.4Å; R130-E152 HydrophobicContact CG-CB 4.02Å; R130-E152 HydrophobicContact CG-CG 3.93Å; R130-G167 PolarHBondContact NH2-O 2.74Å; R130-G168 PolarHBondContact NH2-O 2.85Å; R130-V169 HydrophobicContact CB-CG1 4.39Å; R130-V169 HydrophobicContact CB-CG2 3.92Å; R130-V169 WeakPolarHBondContact O-CG1 3.42Å; R130-K170 PolarHBondContact O-N 3.3Å
131	L	97.1	Very high	75	Confident	8 Å²	8	67.5 Å²	67.5	4%	0.042	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146.9	-176.7	-52.3	177.9	0	0	0	110.5	Y150 L151 K170 I172 I561 G564 I566	L131-Y150 WeakPolarHBondContact O-CD2 3.31Å; L131-L151 HydrophobicContact CB-CB 4.16Å; L131-L151 HydrophobicContact CB-CD1 4.22Å; L131-L151 HydrophobicContact CB-CG 4.46Å; L131-L151 HydrophobicContact CD1-CD1 4.24Å; L131-L151 PolarHBondContact N-O 3.37Å; L131-L151 PolarHBondContact O-N 3.22Å; L131-K170 CarbonylContact C-O 3.46Å; L131-K170 WeakPolarHBondContact CA-O 3.09Å; L131-K170 HydrophobicContact CD2-CB 3.84Å; L131-K170 HydrophobicContact CD2-CD 4.41Å; L131-K170 HydrophobicContact CD2-CG 4.39Å; L131-I172 HydrophobicContact CD1-CD1 4.33Å; L131-I561 HydrophobicContact CD1-CD1 4.02Å; L131-I561 HydrophobicContact CD1-CG1 4.44Å; L131-I561 HydrophobicContact CD1-CG2 3.91Å; L131-G564 WeakPolarHBondContact CD1-O 3.35Å; L131-I566 HydrophobicContact CD1-CD1 4.26Å; L131-I566 HydrophobicContact CD1-CG1 3.72Å; L131-I566 HydrophobicContact CD2-CD1 4.02Å; L131-I566 HydrophobicContact CD2-CG1 4.3Å
132	L	97.6	Very high	77.6	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.026	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	115.2	169.6	174.2	61.6	0	0	0	108.6	K134 D148 L163 V165 V169 K170 T171 I172	L132-K134 HydrophobicContact CD1-CG 4.31Å; L132-K134 HydrophobicContact CD2-CD 3.71Å; L132-K134 HydrophobicContact CD2-CG 3.71Å; L132-K134 HydrophobicContact CG-CD 4.21Å; L132-K134 HydrophobicContact CG-CG 3.61Å; L132-D148 HydrophobicContact CD1-CB 4.02Å; L132-L163 HydrophobicContact CD1-CB 4.3Å; L132-L163 HydrophobicContact CD1-CD1 4.33Å; L132-V165 HydrophobicContact CB-CG2 4.39Å; L132-V165 HydrophobicContact CD1-CG1 4Å; L132-V165 HydrophobicContact CD2-CB 4.4Å; L132-V165 HydrophobicContact CD2-CG1 3.89Å; L132-V165 HydrophobicContact CD2-CG2 3.59Å; L132-V165 HydrophobicContact CG-CG1 4.35Å; L132-V169 HydrophobicContact CB-CG1 3.75Å; L132-K170 PolarHBondContact N-O 3.49Å; L132-T171 CarbonylContact O-C 3.53Å; L132-T171 WeakPolarHBondContact O-CA 2.96Å; L132-I172 PolarHBondContact O-N 3.42Å
133	I	97.9	Very high	80.7	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.2	169.5	-52.2	175.5	0	0	0	106.9	D148 V149 L151 I172 A174 V179 V523 I525 I561	I133-D148 CarbonylContact O-C 3.6Å; I133-D148 WeakPolarHBondContact O-CA 3.38Å; I133-D148 WeakPolarHBondContact O-CB 3.46Å; I133-V149 HydrophobicContact CB-CB 4.28Å; I133-V149 HydrophobicContact CD1-CB 4.44Å; I133-V149 PolarHBondContact N-O 3.1Å; I133-V149 PolarHBondContact O-N 2.82Å; I133-L151 HydrophobicContact CD1-CD1 4.3Å; I133-I172 WeakPolarHBondContact CA-O 3.38Å; I133-I172 HydrophobicContact CG1-CD1 4.4Å; I133-A174 HydrophobicContact CG2-CB 3.8Å; I133-V179 HydrophobicContact CD1-CG1 4.1Å; I133-V179 HydrophobicContact CG2-CG2 3.92Å; I133-V523 HydrophobicContact CD1-CB 4.49Å; I133-V523 HydrophobicContact CD1-CG1 3.77Å; I133-I525 HydrophobicContact CG2-CD1 3.93Å; I133-I525 HydrophobicContact CG2-CG1 4.47Å; I133-I561 HydrophobicContact CD1-CD1 3.86Å; I133-I561 HydrophobicContact CG1-CD1 4.26Å
134	K	97	Very high	83.8	Confident	56 Å²	56	55.6 Å²	55.6	24%	0.243	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.9	-179	-64.3	-153.2	87.9	169	0	113.8	L132 G136 D148 T171 I172 A174	L132-K134 HydrophobicContact CD1-CG 4.31Å; L132-K134 HydrophobicContact CD2-CD 3.71Å; L132-K134 HydrophobicContact CD2-CG 3.71Å; L132-K134 HydrophobicContact CG-CD 4.21Å; L132-K134 HydrophobicContact CG-CG 3.61Å; K134-G136 PolarHBondContact O-N 2.93Å; K134-D148 VanDerWaalsContact CA-OD1 3.25Å; K134-D148 WeakPolarHBondContact CA-OD1 3.45Å; K134-D148 WeakPolarHBondContact CE-OD2 3.35Å; K134-D148 IonicContact NZ-OD2 3.99Å; K134-T171 HydrophobicContact CB-CG2 4.41Å; K134-T171 HydrophobicContact CD-CG2 4.01Å; K134-T171 HydrophobicContact CG-CG2 3.81Å; K134-I172 PolarHBondContact N-O 2.99Å; K134-A174 WeakPolarHBondContact O-CB 3.43Å; K134-A174 PolarHBondContact O-N 2.91Å
135	G	93.6	Very high	86.6	Confident	36 Å²	36	50.9 Å²	50.9	37%	0.371	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	61.1	29.9	174.2	0	0	0	0	0	113.5	D148 G176	G135-D148 PolarHBondContact N-OD1 3.26Å; G135-G176 VanDerWaalsContact O-CA 3.31Å; G135-G176 WeakPolarHBondContact O-CA 3.44Å; G135-G176 PolarHBondContact O-N 2.87Å
136	G	95	Very high	89.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	157.3	180	0	0	0	0	0	112.6	K134 Y146 A147	K134-G136 PolarHBondContact O-N 2.93Å; G136-Y146 WeakPolarHBondContact O-CA 3.38Å; G136-A147 PolarHBondContact O-N 2.81Å; G136-A147 VanDerWaalsContact O-N 3.1Å
137	R	98.1	Very high	92.5	Very high	50 Å²	50	48.2 Å²	48.2	19%	0.189	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	97.6	169.9	-164.1	170.3	64.7	90	2.1	108.7	I139 L145 Y146 R177 M178 V179 E491	R137-I139 HydrophobicContact CB-CD1 4.45Å; R137-I139 HydrophobicContact CG-CD1 3.98Å; R137-I139 WeakPolarHBondContact O-CD1 3.47Å; R137-I139 WeakPolarHBondContact O-CG1 3.3Å; R137-I139 PolarHBondContact O-N 2.6Å; R137-L145 CarbonylContact C-O 3.59Å; R137-L145 WeakPolarHBondContact CA-O 3.42Å; R137-Y146 HydrophobicContact CB-CD1 3.99Å; R137-Y146 HydrophobicContact CB-CE1 3.8Å; R137-Y146 VanDerWaalsContact CD-CZ 3.49Å; R137-Y146 HydrophobicContact CG-CD1 4.19Å; R137-Y146 HydrophobicContact CG-CD2 4.42Å; R137-Y146 HydrophobicContact CG-CE1 3.97Å; R137-Y146 HydrophobicContact CG-CE2 4.2Å; R137-Y146 HydrophobicContact CG-CG 4.43Å; R137-R177 PolarHBondContact N-O 2.67Å; R137-M178 CarbonylContact O-C 3.55Å; R137-M178 WeakPolarHBondContact O-CA 3.49Å; R137-V179 PolarHBondContact O-N 2.9Å; R137-E491 IonicContact CZ-OE1 3.35Å; R137-E491 IonicContact CZ-OE2 3.56Å; R137-E491 IonicContact NH1-OE1 2.91Å; R137-E491 PolarHBondContact NH1-OE1 2.87Å; R137-E491 IonicContact NH1-OE2 3.15Å; R137-E491 PolarHBondContact NH1-OE2 2.91Å; R137-E491 IonicContact NH2-OE1 3.68Å; R137-E491 IonicContact NH2-OE2 2.91Å; R137-E491 PolarHBondContact NH2-OE2 3.47Å
138	I	98.6	Very high	94.9	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127.5	-179.9	-59.4	177.9	0	0	0	109.2	S144 L145 A147 V149 I159 V179 I515	I138-S144 CarbonylContact O-C 3.38Å; I138-S144 VanDerWaalsContact O-CA 3.27Å; I138-S144 WeakPolarHBondContact O-CA 3.36Å; I138-L145 HydrophobicContact CB-CD1 4.23Å; I138-L145 HydrophobicContact CB-CG 4.38Å; I138-L145 HydrophobicContact CD1-CD1 4.12Å; I138-L145 PolarHBondContact N-O 3.46Å; I138-L145 PolarHBondContact O-N 3.48Å; I138-A147 HydrophobicContact CD1-CB 3.81Å; I138-V149 HydrophobicContact CD1-CG2 3.43Å; I138-V149 VanDerWaalsContact CD1-CG2 3.43Å; I138-V149 HydrophobicContact CG1-CG2 3.92Å; I138-I159 HydrophobicContact CD1-CG2 3.48Å; I138-I159 VanDerWaalsContact CD1-CG2 3.48Å; I138-V179 WeakPolarHBondContact CA-O 3.44Å; I138-V179 HydrophobicContact CG1-CB 4.32Å; I138-I515 HydrophobicContact CD1-CG2 4.06Å; I138-I515 HydrophobicContact CG1-CG2 4.33Å; I138-I515 HydrophobicContact CG2-CB 3.64Å; I138-I515 HydrophobicContact CG2-CG1 4.2Å; I138-I515 HydrophobicContact CG2-CG2 3.57Å
139	I	98.7	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.2	178.5	-38.1	-63.1	0	0	0	108	R137 S144 M178 V179 I180 P181 E491 V495	R137-I139 HydrophobicContact CB-CD1 4.45Å; R137-I139 HydrophobicContact CG-CD1 3.98Å; R137-I139 WeakPolarHBondContact O-CD1 3.47Å; R137-I139 WeakPolarHBondContact O-CG1 3.3Å; R137-I139 PolarHBondContact O-N 2.6Å; I139-S144 WeakPolarHBondContact CD1-OG 3.37Å; I139-M178 HydrophobicContact CD1-CE 4.29Å; I139-M178 HydrophobicContact CD1-CG 4.31Å; I139-M178 HydrophobicContact CG1-CB 4.02Å; I139-M178 HydrophobicContact CG1-CE 3.71Å; I139-M178 HydrophobicContact CG1-CG 4.13Å; I139-V179 PolarHBondContact N-O 3.01Å; I139-I180 HydrophobicContact CB-CG2 3.87Å; I139-I180 HydrophobicContact CG1-CG2 3.85Å; I139-P181 WeakPolarHBondContact O-CD 3.43Å; I139-E491 HydrophobicContact CG2-CB 4.01Å; I139-E491 HydrophobicContact CG2-CG 3.83Å; I139-V495 HydrophobicContact CB-CG2 4.21Å; I139-V495 HydrophobicContact CG2-CG2 3.94Å
140	N	98.8	Very high	97.4	Very high	8 Å²	8	35 Å²	35	4%	0.043	18%	0.175	C	C	.	.			trans	-114.4	178.2	169.4	-77.7	-48.8	0	0	0	109.9	D142 Q143 N492 R514 I515	N140-D142 WeakPolarHBondContact CB-OD1 3.27Å; N140-D142 PolarHBondContact O-N 2.92Å; N140-Q143 PolarHBondContact N-O 2.85Å; N140-N492 WeakPolarHBondContact O-CA 3.28Å; N140-N492 WeakPolarHBondContact O-CB 3.36Å; N140-N492 PolarHBondContact O-ND2 2.93Å; N140-R514 VanDerWaalsContact OD1-CG 3.3Å; N140-R514 WeakPolarHBondContact OD1-CG 3.34Å; N140-I515 PolarHBondContact ND2-O 2.67Å; N140-I515 PolarHBondContact OD1-N 3.13Å
141	D	98.4	Very high	97.5	Very high	36 Å²	36	32.1 Å²	32.1	19%	0.193	16%	0.163	C	C	.	.	S	Bend	trans	-67.5	-12.8	179.1	63.2	-56.4	0	0	0	115	N492 A496 T500 K504 R514	D141-N492 WeakPolarHBondContact CA-O 3.18Å; D141-A496 HydrophobicContact CB-CB 3.88Å; D141-T500 HydrophobicContact CB-CG2 4.14Å; D141-K504 IonicContact OD2-NZ 3.72Å; D141-K504 PolarHBondContact OD2-NZ 3.22Å; D141-R514 IonicContact OD1-NH1 3.91Å; D141-R514 PolarHBondContact OD1-NH1 2.9Å
142	D	97.8	Very high	97.5	Very high	90 Å²	90	33.9 Å²	33.9	48%	0.481	17%	0.172	S	C	.	.	S	Bend	trans	-114.3	-31.3	-175	60.6	-35	0	0	0	114.6	N140 R514	N140-D142 WeakPolarHBondContact CB-OD1 3.27Å; N140-D142 PolarHBondContact O-N 2.92Å; D142-R514 VanDerWaalsContact CG-NH1 3.3Å; D142-R514 IonicContact OD1-CZ 3.16Å; D142-R514 VanDerWaalsContact OD1-CZ 3.3Å; D142-R514 IonicContact OD1-NH1 3.12Å; D142-R514 PolarHBondContact OD1-NH1 3.32Å; D142-R514 IonicContact OD1-NH2 2.95Å; D142-R514 PolarHBondContact OD1-NH2 3.26Å; D142-R514 IonicContact OD2-CZ 2.72Å; D142-R514 IonicContact OD2-NH1 3.51Å; D142-R514 IonicContact OD2-NH2 3.69Å; D142-R514 PolarHBondContact OD2-NH2 2.97Å
143	Q	96.8	Very high	97.3	Very high	103 Å²	103	38 Å²	38	48%	0.481	19%	0.194	S	C	.	.			trans	-161.6	163.4	-179	62.2	178	-7	0	0	113.3	N140 N492	N140-Q143 PolarHBondContact N-O 2.85Å; Q143-N492 PolarHBondContact O-ND2 3.41Å
144	S	97.9	Very high	97.1	Very high	43 Å²	43	38.5 Å²	38.5	30%	0.301	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.6	174.1	-58.3	0	0	0	0	110.8	I138 I139 E491 N492	I138-S144 CarbonylContact O-C 3.38Å; I138-S144 VanDerWaalsContact O-CA 3.27Å; I138-S144 WeakPolarHBondContact O-CA 3.36Å; I139-S144 WeakPolarHBondContact CD1-OG 3.37Å; S144-E491 VanDerWaalsContact CB-OE1 3.3Å; S144-E491 WeakPolarHBondContact CB-OE1 3.47Å; S144-E491 PolarHBondContact OG-OE1 3.05Å; S144-N492 PolarHBondContact OG-ND2 2.66Å; S144-N492 PolarHBondContact OG-OD1 2.73Å
145	L	97.1	Very high	97.2	Very high	61 Å²	61	38.8 Å²	38.8	32%	0.319	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	153.6	-178.7	65.2	89	0	0	0	112.5	R137 I138 A147	R137-L145 CarbonylContact C-O 3.59Å; R137-L145 WeakPolarHBondContact CA-O 3.42Å; I138-L145 HydrophobicContact CB-CD1 4.23Å; I138-L145 HydrophobicContact CB-CG 4.38Å; I138-L145 HydrophobicContact CD1-CD1 4.12Å; I138-L145 PolarHBondContact N-O 3.46Å; I138-L145 PolarHBondContact O-N 3.48Å; L145-A147 HydrophobicContact CD1-CB 3.61Å
146	Y	98	Very high	97.4	Very high	153 Å²	153	37.1 Å²	37.1	60%	0.6	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	126.1	172.6	-72.8	-85.2	0	0	0	110.5	G136 R137	G136-Y146 WeakPolarHBondContact O-CA 3.38Å; R137-Y146 HydrophobicContact CB-CD1 3.99Å; R137-Y146 HydrophobicContact CB-CE1 3.8Å; R137-Y146 VanDerWaalsContact CD-CZ 3.49Å; R137-Y146 HydrophobicContact CG-CD1 4.19Å; R137-Y146 HydrophobicContact CG-CD2 4.42Å; R137-Y146 HydrophobicContact CG-CE1 3.97Å; R137-Y146 HydrophobicContact CG-CE2 4.2Å; R137-Y146 HydrophobicContact CG-CG 4.43Å
147	A	97.6	Very high	97.5	Very high	6 Å²	6	40.3 Å²	40.3	5%	0.05	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	159.1	174.1	0	0	0	0	0	111.3	G136 I138 L145 I159	G136-A147 PolarHBondContact O-N 2.81Å; G136-A147 VanDerWaalsContact O-N 3.1Å; I138-A147 HydrophobicContact CD1-CB 3.81Å; L145-A147 HydrophobicContact CD1-CB 3.61Å; A147-I159 HydrophobicContact CB-CG2 3.77Å
148	D	97.9	Very high	97.5	Very high	10 Å²	10	42.4 Å²	42.4	5%	0.053	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	152.1	164.6	-58.5	-23.1	0	0	0	109.7	L132 I133 K134 G135 I159 G160 N162 L163	L132-D148 HydrophobicContact CD1-CB 4.02Å; I133-D148 CarbonylContact O-C 3.6Å; I133-D148 WeakPolarHBondContact O-CA 3.38Å; I133-D148 WeakPolarHBondContact O-CB 3.46Å; K134-D148 VanDerWaalsContact CA-OD1 3.25Å; K134-D148 WeakPolarHBondContact CA-OD1 3.45Å; K134-D148 WeakPolarHBondContact CE-OD2 3.35Å; K134-D148 IonicContact NZ-OD2 3.99Å; G135-D148 PolarHBondContact N-OD1 3.26Å; D148-I159 WeakPolarHBondContact O-CA 3.38Å; D148-G160 WeakPolarHBondContact CB-O 3.32Å; D148-G160 PolarHBondContact N-O 3.35Å; D148-G160 PolarHBondContact O-N 2.97Å; D148-G160 VanDerWaalsContact O-N 3.16Å; D148-N162 WeakPolarHBondContact OD2-CA 3.44Å; D148-N162 PolarHBondContact OD2-N 2.87Å; D148-L163 HydrophobicContact CB-CB 4.08Å; D148-L163 HydrophobicContact CB-CD1 3.89Å; D148-L163 HydrophobicContact CB-CG 3.91Å; D148-L163 WeakPolarHBondContact O-CD1 3.36Å; D148-L163 PolarHBondContact OD2-N 2.92Å
149	V	98.3	Very high	97.5	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.8	178	-172.3	0	0	0	0	110	I133 I138 L151 I156 I159 V179 I515	I133-V149 HydrophobicContact CB-CB 4.28Å; I133-V149 HydrophobicContact CD1-CB 4.44Å; I133-V149 PolarHBondContact N-O 3.1Å; I133-V149 PolarHBondContact O-N 2.82Å; I138-V149 HydrophobicContact CD1-CG2 3.43Å; I138-V149 VanDerWaalsContact CD1-CG2 3.43Å; I138-V149 HydrophobicContact CG1-CG2 3.92Å; V149-L151 HydrophobicContact CG1-CD2 3.68Å; V149-L151 HydrophobicContact CG1-CG 4.48Å; V149-I156 HydrophobicContact CG1-CG1 4.48Å; V149-I156 HydrophobicContact CG1-CG2 3.84Å; V149-I159 HydrophobicContact CG1-CG1 4.35Å; V149-I159 HydrophobicContact CG2-CG1 4.5Å; V149-V179 HydrophobicContact CG2-CG1 4.35Å; V149-I515 HydrophobicContact CG2-CG2 4.25Å
150	Y	98.1	Very high	97.4	Very high	5 Å²	5	45.7 Å²	45.7	2%	0.02	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125	175.4	-179.5	-122.7	0	0	0	111.2	R130 L131 E152 K157 Q158 V165 V169	R130-Y150 HydrophobicContact CB-CE2 4.36Å; R130-Y150 WeakPolarHBondContact CD-OH 3.41Å; L131-Y150 WeakPolarHBondContact O-CD2 3.31Å; Y150-E152 HydrophobicContact CE1-CB 3.96Å; Y150-E152 VanDerWaalsContact OH-CD 3.27Å; Y150-E152 PolarHBondContact OH-OE1 3.36Å; Y150-K157 HydrophobicContact CD1-CB 3.78Å; Y150-K157 HydrophobicContact CD1-CG 4.28Å; Y150-K157 HydrophobicContact CE1-CB 4.22Å; Y150-K157 HydrophobicContact CE1-CG 4.29Å; Y150-K157 PolarHBondContact O-N 2.86Å; Y150-Q158 HydrophobicContact CD1-CG 4.5Å; Y150-Q158 PolarHBondContact N-O 2.9Å; Y150-Q158 PolarHBondContact O-N 2.82Å; Y150-V165 HydrophobicContact CD2-CB 4.08Å; Y150-V165 HydrophobicContact CD2-CG1 3.49Å; Y150-V165 VanDerWaalsContact CD2-CG1 3.49Å; Y150-V165 HydrophobicContact CE2-CB 4.11Å; Y150-V165 HydrophobicContact CE2-CG1 4.03Å; Y150-V165 HydrophobicContact CG-CG1 3.78Å; Y150-V169 HydrophobicContact CD2-CG1 4.34Å; Y150-V169 HydrophobicContact CE2-CG1 3.96Å; Y150-V169 HydrophobicContact CE2-CG2 3.91Å
151	L	97.7	Very high	97.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.1	-178.6	-46.6	178.5	0	0	0	109.7	R130 L131 I133 V149 L155 I156 A521 V523 I561	R130-L151 WeakPolarHBondContact CA-O 3.5Å; L131-L151 HydrophobicContact CB-CB 4.16Å; L131-L151 HydrophobicContact CB-CD1 4.22Å; L131-L151 HydrophobicContact CB-CG 4.46Å; L131-L151 HydrophobicContact CD1-CD1 4.24Å; L131-L151 PolarHBondContact N-O 3.37Å; L131-L151 PolarHBondContact O-N 3.22Å; I133-L151 HydrophobicContact CD1-CD1 4.3Å; V149-L151 HydrophobicContact CG1-CD2 3.68Å; V149-L151 HydrophobicContact CG1-CG 4.48Å; L151-L155 WeakPolarHBondContact CA-O 3.33Å; L151-I156 HydrophobicContact CD2-CB 4.21Å; L151-I156 HydrophobicContact CD2-CG1 3.6Å; L151-A521 HydrophobicContact CB-CB 4.24Å; L151-A521 HydrophobicContact CD1-CB 4.26Å; L151-A521 HydrophobicContact CD2-CB 3.93Å; L151-A521 HydrophobicContact CG-CB 4.38Å; L151-V523 HydrophobicContact CD2-CG2 4.48Å; L151-I561 HydrophobicContact CD1-CD1 3.79Å; L151-I561 HydrophobicContact CD1-CG2 4.01Å
152	E	95.8	Very high	96.8	Very high	45 Å²	45	57.1 Å²	57.1	21%	0.21	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	147.4	178.9	163.8	-176.9	-99.3	0	0	108.7	R130 Y150 G154 L155 K157	R130-E152 VanDerWaalsContact CD-OE1 3.24Å; R130-E152 WeakPolarHBondContact CD-OE1 3.4Å; R130-E152 HydrophobicContact CG-CB 4.02Å; R130-E152 HydrophobicContact CG-CG 3.93Å; Y150-E152 HydrophobicContact CE1-CB 3.96Å; Y150-E152 VanDerWaalsContact OH-CD 3.27Å; Y150-E152 PolarHBondContact OH-OE1 3.36Å; E152-G154 PolarHBondContact O-N 2.93Å; E152-G154 VanDerWaalsContact O-N 3.11Å; E152-L155 PolarHBondContact N-O 3.24Å; E152-L155 PolarHBondContact O-N 3.22Å; E152-L155 VanDerWaalsContact O-O 3.12Å; E152-K157 HydrophobicContact CB-CG 3.79Å; E152-K157 HydrophobicContact CG-CG 4.43Å; E152-K157 WeakPolarHBondContact O-CE 3.46Å; E152-K157 IonicContact OE2-NZ 3.22Å
153	D	93.8	Very high	96.6	Very high	92 Å²	92	54 Å²	54	49%	0.492	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	26.7	-174.9	-47.8	-37.7	0	0	0	114.6	S128 L155 K157	S128-D153 WeakPolarHBondContact CB-OD1 3.34Å; S128-D153 PolarHBondContact OG-OD1 3.38Å; D153-L155 VanDerWaalsContact C-N 3.28Å; D153-L155 PolarHBondContact O-N 2.98Å; D153-K157 WeakPolarHBondContact OD2-CE 3.21Å; D153-K157 IonicContact OD2-NZ 2.9Å; D153-K157 PolarHBondContact OD2-NZ 2.91Å
154	G	95.3	Very high	96.2	Very high	11 Å²	11	56.8 Å²	56.8	11%	0.113	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	16.6	-176.2	0	0	0	0	0	115.1	E152 A521 Q563	E152-G154 PolarHBondContact O-N 2.93Å; E152-G154 VanDerWaalsContact O-N 3.11Å; G154-A521 VanDerWaalsContact C-CB 3.47Å; G154-A521 WeakPolarHBondContact O-CB 3.43Å; G154-A521 PolarHBondContact O-N 2.85Å; G154-Q563 VanDerWaalsContact CA-O 3.23Å; G154-Q563 WeakPolarHBondContact CA-O 3.26Å
155	L	97.9	Very high	95.8	Very high	61 Å²	61	56.5 Å²	56.5	32%	0.319	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	153.4	177.5	-61.7	176.6	0	0	0	111.6	L151 E152 D153 K157 S519	L151-L155 WeakPolarHBondContact CA-O 3.33Å; E152-L155 PolarHBondContact N-O 3.24Å; E152-L155 PolarHBondContact O-N 3.22Å; E152-L155 VanDerWaalsContact O-O 3.12Å; D153-L155 VanDerWaalsContact C-N 3.28Å; D153-L155 PolarHBondContact O-N 2.98Å; L155-K157 PolarHBondContact O-N 2.94Å; L155-S519 WeakPolarHBondContact CA-O 3.42Å
156	I	98.4	Very high	95.3	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	109.8	165.5	-59.1	173.4	0	0	0	107.9	V149 L151 I159 I515 A516 V517 G518 S519 V523	V149-I156 HydrophobicContact CG1-CG1 4.48Å; V149-I156 HydrophobicContact CG1-CG2 3.84Å; L151-I156 HydrophobicContact CD2-CB 4.21Å; L151-I156 HydrophobicContact CD2-CG1 3.6Å; I156-I159 HydrophobicContact CG2-CD1 4.05Å; I156-I159 HydrophobicContact CG2-CG1 3.87Å; I156-I515 HydrophobicContact CD1-CB 4.45Å; I156-I515 HydrophobicContact CD1-CD1 4.11Å; I156-I515 HydrophobicContact CD1-CG2 4.1Å; I156-A516 WeakPolarHBondContact CB-O 3.44Å; I156-V517 WeakPolarHBondContact O-CA 3.29Å; I156-G518 PolarHBondContact O-N 3.37Å; I156-S519 PolarHBondContact N-O 2.8Å; I156-V523 HydrophobicContact CD1-CG2 4.39Å
157	K	97.4	Very high	94.7	Very high	67 Å²	67	53 Å²	53	29%	0.291	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-39.8	-178.1	-63.3	-68.2	-173.8	155.5	0	113.1	Y150 E152 D153 L155 V517	Y150-K157 HydrophobicContact CD1-CB 3.78Å; Y150-K157 HydrophobicContact CD1-CG 4.28Å; Y150-K157 HydrophobicContact CE1-CB 4.22Å; Y150-K157 HydrophobicContact CE1-CG 4.29Å; Y150-K157 PolarHBondContact O-N 2.86Å; E152-K157 HydrophobicContact CB-CG 3.79Å; E152-K157 HydrophobicContact CG-CG 4.43Å; E152-K157 WeakPolarHBondContact O-CE 3.46Å; E152-K157 IonicContact OE2-NZ 3.22Å; D153-K157 WeakPolarHBondContact OD2-CE 3.21Å; D153-K157 IonicContact OD2-NZ 2.9Å; D153-K157 PolarHBondContact OD2-NZ 2.91Å; L155-K157 PolarHBondContact O-N 2.94Å; K157-V517 WeakPolarHBondContact O-CG1 3.25Å
158	Q	97.4	Very high	94.2	Very high	94 Å²	94	56.2 Å²	56.2	44%	0.439	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	145.6	-175.9	-57.6	-176.9	12.1	0	0	110.7	Y150 L163	Y150-Q158 HydrophobicContact CD1-CG 4.5Å; Y150-Q158 PolarHBondContact N-O 2.9Å; Y150-Q158 PolarHBondContact O-N 2.82Å; Q158-L163 HydrophobicContact CB-CD1 4.15Å; Q158-L163 HydrophobicContact CB-CD2 4.45Å
159	I	97.9	Very high	94	Very high	52 Å²	52	56.8 Å²	56.8	27%	0.267	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.4	170.4	-62.2	171.1	0	0	0	106.3	I138 A147 D148 V149 I156 I515 V517	I138-I159 HydrophobicContact CD1-CG2 3.48Å; I138-I159 VanDerWaalsContact CD1-CG2 3.48Å; A147-I159 HydrophobicContact CB-CG2 3.77Å; D148-I159 WeakPolarHBondContact O-CA 3.38Å; V149-I159 HydrophobicContact CG1-CG1 4.35Å; V149-I159 HydrophobicContact CG2-CG1 4.5Å; I156-I159 HydrophobicContact CG2-CD1 4.05Å; I156-I159 HydrophobicContact CG2-CG1 3.87Å; I159-I515 HydrophobicContact CD1-CG2 3.96Å; I159-V517 HydrophobicContact CG1-CG2 4.31Å
160	G	96.1	Very high	93.8	Very high	21 Å²	21	61 Å²	61	22%	0.216	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.9	171.8	177.6	0	0	0	0	0	113.1	D148	D148-G160 WeakPolarHBondContact CB-O 3.32Å; D148-G160 PolarHBondContact N-O 3.35Å; D148-G160 PolarHBondContact O-N 2.97Å; D148-G160 VanDerWaalsContact O-N 3.16Å
161	E	93.5	Very high	93.7	Very high	157 Å²	157	63.8 Å²	63.8	73%	0.734	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	136.4	175.2	-64.1	178.9	-170.8	0	0	110.9	L163	E161-L163 PolarHBondContact O-N 2.85Å
162	N	91.3	Very high	93.6	Very high	126 Å²	126	64.3 Å²	64.3	67%	0.674	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	48.7	172.2	-59.1	-71.7	0	0	0	114	D148 I164	D148-N162 WeakPolarHBondContact OD2-CA 3.44Å; D148-N162 PolarHBondContact OD2-N 2.87Å; N162-I164 PolarHBondContact O-N 3.47Å
163	L	94.1	Very high	93.6	Very high	24 Å²	24	67.5 Å²	67.5	13%	0.126	39%	0.388	C	S	.	.			trans	-60.6	132.1	-174.3	-71	178.7	0	0	0	112.1	L132 D148 Q158 E161 V165	L132-L163 HydrophobicContact CD1-CB 4.3Å; L132-L163 HydrophobicContact CD1-CD1 4.33Å; D148-L163 HydrophobicContact CB-CB 4.08Å; D148-L163 HydrophobicContact CB-CD1 3.89Å; D148-L163 HydrophobicContact CB-CG 3.91Å; D148-L163 WeakPolarHBondContact O-CD1 3.36Å; D148-L163 PolarHBondContact OD2-N 2.92Å; Q158-L163 HydrophobicContact CB-CD1 4.15Å; Q158-L163 HydrophobicContact CB-CD2 4.45Å; E161-L163 PolarHBondContact O-N 2.85Å; L163-V165 HydrophobicContact CB-CG1 4.36Å
164	I	89.6	Confident	93.7	Very high	163 Å²	163	63.2 Å²	63.2	84%	0.836	37%	0.366	S	S	*	.			trans	-96.8	103.2	171.8	-57	175.9	0	0	0	107.6	N162	N162-I164 PolarHBondContact O-N 3.47Å
165	V	89.3	Confident	93.5	Very high	37 Å²	37	69 Å²	69	22%	0.224	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-100.7	160.8	-178.8	-61	0	0	0	0	111.7	L132 Y150 L163 V169	L132-V165 HydrophobicContact CB-CG2 4.39Å; L132-V165 HydrophobicContact CD1-CG1 4Å; L132-V165 HydrophobicContact CD2-CB 4.4Å; L132-V165 HydrophobicContact CD2-CG1 3.89Å; L132-V165 HydrophobicContact CD2-CG2 3.59Å; L132-V165 HydrophobicContact CG-CG1 4.35Å; Y150-V165 HydrophobicContact CD2-CB 4.08Å; Y150-V165 HydrophobicContact CD2-CG1 3.49Å; Y150-V165 VanDerWaalsContact CD2-CG1 3.49Å; Y150-V165 HydrophobicContact CE2-CB 4.11Å; Y150-V165 HydrophobicContact CE2-CG1 4.03Å; Y150-V165 HydrophobicContact CG-CG1 3.78Å; L163-V165 HydrophobicContact CB-CG1 4.36Å; V165-V169 HydrophobicContact CB-CG2 4.4Å; V165-V169 HydrophobicContact CG2-CB 4.07Å; V165-V169 HydrophobicContact CG2-CG1 4.11Å; V165-V169 HydrophobicContact CG2-CG2 4.13Å
166	P	86.9	Confident	93.1	Very high	71 Å²	71	67.6 Å²	67.6	46%	0.461	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-58	160.5	174.5	-24.9	35.5	0	0	0	113.6	V169	P166-V169 WeakPolarHBondContact O-CG2 3.35Å
167	G	85.7	Confident	92.9	Very high	69 Å²	69	71.2 Å²	71.2	71%	0.711	41%	0.408	S	S	*	.	S	Bend	trans	-64.2	147.6	173.8	0	0	0	0	0	113.1	R130	R130-G167 PolarHBondContact NH2-O 2.74Å
168	G	86.1	Confident	93	Very high	74 Å²	74	68.1 Å²	68.1	76%	0.763	40%	0.395	S	S	*	.	S	Bend	trans	78.9	36.6	177.7	0	0	0	0	0	114.5	R130	R130-G168 PolarHBondContact NH2-O 2.85Å
169	V	93.8	Very high	93.1	Very high	21 Å²	21	63.6 Å²	63.6	13%	0.127	37%	0.374	C	S	.	.			trans	-106.2	130.9	175.3	173.8	0	0	0	0	108.3	R130 L132 Y150 V165 P166 T171	R130-V169 HydrophobicContact CB-CG1 4.39Å; R130-V169 HydrophobicContact CB-CG2 3.92Å; R130-V169 WeakPolarHBondContact O-CG1 3.42Å; L132-V169 HydrophobicContact CB-CG1 3.75Å; Y150-V169 HydrophobicContact CD2-CG1 4.34Å; Y150-V169 HydrophobicContact CE2-CG1 3.96Å; Y150-V169 HydrophobicContact CE2-CG2 3.91Å; V165-V169 HydrophobicContact CB-CG2 4.4Å; V165-V169 HydrophobicContact CG2-CB 4.07Å; V165-V169 HydrophobicContact CG2-CG1 4.11Å; V165-V169 HydrophobicContact CG2-CG2 4.13Å; P166-V169 WeakPolarHBondContact O-CG2 3.35Å; V169-T171 PolarHBondContact O-N 2.93Å
170	K	94.1	Very high	93.1	Very high	91 Å²	91	61.2 Å²	61.2	40%	0.396	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	122.5	174.2	176.8	179.6	170.1	-174.9	0	108.2	R130 L131 L132 I566 E569	R130-K170 PolarHBondContact O-N 3.3Å; L131-K170 CarbonylContact C-O 3.46Å; L131-K170 WeakPolarHBondContact CA-O 3.09Å; L131-K170 HydrophobicContact CD2-CB 3.84Å; L131-K170 HydrophobicContact CD2-CD 4.41Å; L131-K170 HydrophobicContact CD2-CG 4.39Å; L132-K170 PolarHBondContact N-O 3.49Å; K170-I566 HydrophobicContact CD-CD1 3.66Å; K170-I566 VanDerWaalsContact CE-CD1 3.49Å; K170-E569 IonicContact NZ-OE1 3.69Å; K170-E569 PolarHBondContact NZ-OE1 2.87Å; K170-E569 IonicContact NZ-OE2 3.53Å; K170-E569 PolarHBondContact NZ-OE2 3.46Å
171	T	95.5	Very high	93.2	Very high	63 Å²	63	60.3 Å²	60.3	39%	0.387	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	137	174.7	-60.5	0	0	0	0	110.3	L132 K134 V169 E173	L132-T171 CarbonylContact O-C 3.53Å; L132-T171 WeakPolarHBondContact O-CA 2.96Å; K134-T171 HydrophobicContact CB-CG2 4.41Å; K134-T171 HydrophobicContact CD-CG2 4.01Å; K134-T171 HydrophobicContact CG-CG2 3.81Å; V169-T171 PolarHBondContact O-N 2.93Å; T171-E173 WeakPolarHBondContact CG2-OE1 3.43Å
172	I	96.3	Very high	93.5	Very high	11 Å²	11	53 Å²	53	6%	0.056	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	112.4	174.3	-48.9	166.9	0	0	0	106.8	L131 L132 I133 K134 A174 I525 V559 I561 I566	L131-I172 HydrophobicContact CD1-CD1 4.33Å; L132-I172 PolarHBondContact O-N 3.42Å; I133-I172 WeakPolarHBondContact CA-O 3.38Å; I133-I172 HydrophobicContact CG1-CD1 4.4Å; K134-I172 PolarHBondContact N-O 2.99Å; I172-A174 PolarHBondContact O-N 2.81Å; I172-I525 HydrophobicContact CB-CD1 4.38Å; I172-I525 HydrophobicContact CG2-CD1 3.5Å; I172-I525 VanDerWaalsContact CG2-CD1 3.5Å; I172-V559 HydrophobicContact CG2-CG2 4.33Å; I172-I561 HydrophobicContact CD1-CD1 3.77Å; I172-I566 HydrophobicContact CD1-CD1 3.66Å; I172-I566 HydrophobicContact CD1-CG1 4.01Å; I172-I566 HydrophobicContact CG1-CD1 4.09Å
173	E	95.4	Very high	93.9	Very high	111 Å²	111	47 Å²	47	52%	0.519	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	107.3	179.6	-62.7	-61.5	161.6	0	0	109.8	T171 N175	T171-E173 WeakPolarHBondContact CG2-OE1 3.43Å; E173-N175 VanDerWaalsContact C-N 3.35Å; E173-N175 PolarHBondContact O-ND2 2.99Å
174	A	95.1	Very high	94.1	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.017	28%	0.28	C	S	.	.			trans	-79.4	-16.3	179.1	0	0	0	0	0	112.8	I133 K134 I172 G176 R177 V179 I525	I133-A174 HydrophobicContact CG2-CB 3.8Å; K134-A174 WeakPolarHBondContact O-CB 3.43Å; K134-A174 PolarHBondContact O-N 2.91Å; I172-A174 PolarHBondContact O-N 2.81Å; A174-G176 VanDerWaalsContact C-N 3.28Å; A174-G176 PolarHBondContact O-N 3.35Å; A174-G176 VanDerWaalsContact O-N 3.15Å; A174-R177 WeakPolarHBondContact O-CB 3.3Å; A174-R177 WeakPolarHBondContact O-CG 3.43Å; A174-R177 PolarHBondContact O-N 3.1Å; A174-V179 HydrophobicContact CB-CG2 4.27Å; A174-I525 HydrophobicContact CB-CD1 4.39Å; A174-I525 HydrophobicContact CB-CG2 4.39Å
175	N	91.1	Very high	94.5	Very high	134 Å²	134	38.1 Å²	38.1	72%	0.717	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	41.4	172.1	-62.2	-71.2	0	0	0	114.4	E173 R177	E173-N175 VanDerWaalsContact C-N 3.35Å; E173-N175 PolarHBondContact O-ND2 2.99Å; N175-R177 PolarHBondContact O-N 3.33Å
176	G	89.5	Confident	95	Very high	31 Å²	31	36.3 Å²	36.3	32%	0.32	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-1.5	-177.5	0	0	0	0	0	115.5	G135 A174	G135-G176 VanDerWaalsContact O-CA 3.31Å; G135-G176 WeakPolarHBondContact O-CA 3.44Å; G135-G176 PolarHBondContact O-N 2.87Å; A174-G176 VanDerWaalsContact C-N 3.28Å; A174-G176 PolarHBondContact O-N 3.35Å; A174-G176 VanDerWaalsContact O-N 3.15Å
177	R	96.1	Very high	95.5	Very high	76 Å²	76	33 Å²	33	29%	0.287	21%	0.208	S	C	.	.			trans	-64.8	161.2	173.6	-60.9	-56.6	-163.2	177.8	10.6	111.6	R137 A174 N175 I525 D527 D529 L558	R137-R177 PolarHBondContact N-O 2.67Å; A174-R177 WeakPolarHBondContact O-CB 3.3Å; A174-R177 WeakPolarHBondContact O-CG 3.43Å; A174-R177 PolarHBondContact O-N 3.1Å; N175-R177 PolarHBondContact O-N 3.33Å; R177-I525 HydrophobicContact CB-CG2 3.98Å; R177-D527 IonicContact CZ-OD1 2.66Å; R177-D527 IonicContact CZ-OD2 3.22Å; R177-D527 IonicContact NE-OD1 3Å; R177-D527 IonicContact NE-OD2 2.71Å; R177-D527 IonicContact NH1-OD1 3.99Å; R177-D527 PolarHBondContact NH1-OD1 3.15Å; R177-D527 VanDerWaalsContact NH1-OD1 3.15Å; R177-D527 IonicContact NH1-OD2 2.81Å; R177-D527 IonicContact NH2-OD1 2.73Å; R177-D527 PolarHBondContact NH2-OD1 2.82Å; R177-D527 VanDerWaalsContact NH2-OD1 3.12Å; R177-D527 IonicContact NH2-OD2 3.57Å; R177-D527 PolarHBondContact NH2-OD2 3.18Å; R177-D529 IonicContact CZ-OD2 3.9Å; R177-D529 IonicContact NH1-OD2 2.69Å; R177-D529 PolarHBondContact NH1-OD2 2.91Å; R177-L558 HydrophobicContact CG-CD1 4.19Å
178	M	98.4	Very high	96.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.5	-176.4	-63.7	169	72.3	0	0	110.4	R137 I139 I180 W480 E491 I525 W526 P528	R137-M178 CarbonylContact O-C 3.55Å; R137-M178 WeakPolarHBondContact O-CA 3.49Å; I139-M178 HydrophobicContact CD1-CE 4.29Å; I139-M178 HydrophobicContact CD1-CG 4.31Å; I139-M178 HydrophobicContact CG1-CB 4.02Å; I139-M178 HydrophobicContact CG1-CE 3.71Å; I139-M178 HydrophobicContact CG1-CG 4.13Å; M178-I180 HydrophobicContact CB-CG2 4.03Å; M178-I180 HydrophobicContact CE-CG2 4.25Å; M178-W480 HydrophobicContact CE-CH2 3.5Å; M178-W480 HydrophobicContact CE-CZ3 3.62Å; M178-W480 HydrophobicContact SD-CH2 3.56Å; M178-W480 VanDerWaalsContact SD-CH2 3.56Å; M178-W480 HydrophobicContact SD-CZ2 4.26Å; M178-W480 HydrophobicContact SD-CZ3 4.14Å; M178-E491 HydrophobicContact CE-CB 3.67Å; M178-I525 CarbonylContact O-C 3.44Å; M178-I525 WeakPolarHBondContact O-CA 3.35Å; M178-W526 HydrophobicContact CB-CB 4.12Å; M178-W526 PolarHBondContact N-O 2.85Å; M178-W526 PolarHBondContact O-N 3.4Å; M178-P528 HydrophobicContact SD-CB 3.95Å; M178-P528 HydrophobicContact SD-CG 4.07Å
179	V	98.8	Very high	96.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	103.1	173.9	-178.9	0	0	0	0	106.7	I133 R137 I138 I139 V149 A174 V523	I133-V179 HydrophobicContact CD1-CG1 4.1Å; I133-V179 HydrophobicContact CG2-CG2 3.92Å; R137-V179 PolarHBondContact O-N 2.9Å; I138-V179 WeakPolarHBondContact CA-O 3.44Å; I138-V179 HydrophobicContact CG1-CB 4.32Å; I139-V179 PolarHBondContact N-O 3.01Å; V149-V179 HydrophobicContact CG2-CG1 4.35Å; A174-V179 HydrophobicContact CB-CG2 4.27Å; V179-V523 HydrophobicContact CG1-CG1 3.51Å
180	I	98.9	Very high	96.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	155.2	-170.7	69.7	175.9	0	0	0	110.5	I139 M178 M476 F494 V495 V524 W526	I139-I180 HydrophobicContact CB-CG2 3.87Å; I139-I180 HydrophobicContact CG1-CG2 3.85Å; M178-I180 HydrophobicContact CB-CG2 4.03Å; M178-I180 HydrophobicContact CE-CG2 4.25Å; I180-M476 HydrophobicContact CD1-CE 3.72Å; I180-F494 HydrophobicContact CD1-CE1 3.9Å; I180-V495 HydrophobicContact CB-CG2 4.1Å; I180-V495 HydrophobicContact CG2-CG2 4.14Å; I180-V524 HydrophobicContact CD1-CB 4.36Å; I180-V524 HydrophobicContact CD1-CG1 4.46Å; I180-V524 HydrophobicContact CG1-CB 3.79Å; I180-V524 HydrophobicContact CG1-CG1 4.3Å; I180-V524 PolarHBondContact N-O 2.87Å; I180-V524 PolarHBondContact O-N 2.84Å; I180-W526 HydrophobicContact CD1-CB 3.99Å; I180-W526 HydrophobicContact CD1-CD2 4.34Å; I180-W526 HydrophobicContact CD1-CE3 4.3Å; I180-W526 HydrophobicContact CD1-CG 4.24Å; I180-W526 HydrophobicContact CG1-CB 4.39Å
181	P	98.9	Very high	96.8	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.019	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	141.2	167	-17.9	30.8	0	0	0	109.6	I139 V495 I515	I139-P181 WeakPolarHBondContact O-CD 3.43Å; P181-V495 HydrophobicContact CG-CG1 3.76Å; P181-I515 HydrophobicContact CB-CD1 4.47Å; P181-I515 HydrophobicContact CG-CD1 4.31Å; P181-I515 HydrophobicContact CG-CG1 4.06Å
182	G	98.8	Very high	96.6	Very high	2 Å²	2	21.8 Å²	21.8	2%	0.021	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-58.9	141.9	171	0	0	0	0	0	111.6	T216 D522	G182-T216 VanDerWaalsContact CA-OG1 3.3Å; G182-T216 WeakPolarHBondContact CA-OG1 3.31Å; G182-D522 PolarHBondContact N-O 3.42Å
183	G	98.9	Very high	96.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	144	-177	0	0	0	0	0	111.6	G214 T215 T216 M217	G183-G214 PolarHBondContact N-O 2.74Å; G183-T215 CarbonylContact O-C 3.54Å; G183-T215 WeakPolarHBondContact O-CA 3.38Å; G183-T215 WeakPolarHBondContact O-CG2 3.34Å; G183-T216 PolarHBondContact O-N 3.36Å; G183-M217 PolarHBondContact O-N 2.6Å
184	I	98.9	Very high	95.9	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	114.4	170.3	-53	-177.9	0	0	0	107.2	V186 M217 R475 T498 A502 A503 K512	I184-V186 HydrophobicContact CG2-CG1 4.22Å; I184-M217 WeakPolarHBondContact CA-O 3.4Å; I184-M217 HydrophobicContact CG1-CB 4.33Å; I184-M217 HydrophobicContact CG2-CB 4.32Å; I184-M217 HydrophobicContact CG2-CG 4.37Å; I184-M217 HydrophobicContact CG2-SD 4.44Å; I184-R475 PolarHBondContact O-NH1 3.15Å; I184-R475 PolarHBondContact O-NH2 3.22Å; I184-T498 PolarHBondContact N-O 2.87Å; I184-A502 HydrophobicContact CB-CB 4.09Å; I184-A502 HydrophobicContact CG2-CB 4.03Å; I184-A503 HydrophobicContact CD1-CB 3.85Å; I184-K512 HydrophobicContact CD1-CB 3.93Å
185	D	98.9	Very high	95.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	124.4	172	-165.5	-18.3	0	0	0	109	N187 T188 T215 M217 I218 I219 G444 S445 R475	D185-N187 PolarHBondContact OD1-N 2.74Å; D185-T188 HydrophobicContact CB-CG2 4.36Å; D185-T215 HydrophobicContact CB-CG2 3.73Å; D185-M217 PolarHBondContact N-O 3.12Å; D185-I218 HydrophobicContact CB-CG2 4.47Å; D185-I218 CarbonylContact O-C 3.45Å; D185-I218 VanDerWaalsContact O-CA 3.26Å; D185-I218 WeakPolarHBondContact O-CA 3.36Å; D185-I219 PolarHBondContact O-N 2.95Å; D185-G444 WeakPolarHBondContact OD1-CA 3.18Å; D185-S445 PolarHBondContact OD1-N 2.85Å; D185-S445 PolarHBondContact OD1-OG 2.72Å; D185-S445 WeakPolarHBondContact OD2-CB 3.44Å; D185-S445 PolarHBondContact OD2-N 3.21Å; D185-S445 PolarHBondContact OD2-OG 3.44Å; D185-R475 IonicContact OD2-NE 3.92Å
186	V	98.3	Very high	95.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	1.2	-169.4	-66.7	0	0	0	0	113.1	I184 I219 H252 Y365 E391 V442 A502 F506	I184-V186 HydrophobicContact CG2-CG1 4.22Å; V186-I219 CarbonylContact C-O 3.18Å; V186-I219 HydrophobicContact CG1-CD1 4.17Å; V186-H252 PolarHBondContact O-CD2 2.65Å; V186-H252 PolarHBondContact O-NE2 2.92Å; V186-Y365 WeakPolarHBondContact CG2-OH 3.4Å; V186-E391 HydrophobicContact CG2-CG 4.25Å; V186-E391 VanDerWaalsContact CG2-OE2 3.24Å; V186-E391 WeakPolarHBondContact CG2-OE2 3.43Å; V186-V442 HydrophobicContact CB-CG1 4.47Å; V186-V442 HydrophobicContact CG1-CG1 4.07Å; V186-V442 HydrophobicContact CG2-CG1 3.59Å; V186-A502 HydrophobicContact CG1-CB 3.42Å; V186-A502 VanDerWaalsContact CG1-CB 3.42Å; V186-F506 HydrophobicContact CB-CE2 3.97Å; V186-F506 HydrophobicContact CG1-CD2 3.95Å; V186-F506 HydrophobicContact CG1-CE2 3.69Å
187	N	98.4	Very high	95.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	81.9	-171.2	-161.3	-30.1	0	0	0	110.8	D185 Y189 E391 S445 G446 H447	D185-N187 PolarHBondContact OD1-N 2.74Å; N187-Y189 WeakPolarHBondContact OD1-CE2 3.45Å; N187-E391 VanDerWaalsContact CB-OE1 3.27Å; N187-E391 WeakPolarHBondContact CB-OE1 2.98Å; N187-E391 PolarHBondContact ND2-OE1 2.73Å; N187-S445 PolarHBondContact O-OG 2.69Å; N187-G446 VanDerWaalsContact O-CA 3.24Å; N187-G446 WeakPolarHBondContact O-CA 3.34Å; N187-G446 PolarHBondContact O-N 3Å; N187-H447 PolarHBondContact O-N 2.75Å
188	T	98.7	Very high	95.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	155.5	175.6	67.8	0	0	0	0	111.6	D185 I218 I219 D220 H221 I472	D185-T188 HydrophobicContact CB-CG2 4.36Å; T188-I218 HydrophobicContact CG2-CB 4.27Å; T188-I218 HydrophobicContact CG2-CG2 4.26Å; T188-I219 PolarHBondContact N-O 3.14Å; T188-D220 WeakPolarHBondContact CB-OD2 3.3Å; T188-D220 WeakPolarHBondContact O-CA 3.32Å; T188-D220 VanDerWaalsContact O-OD2 3.11Å; T188-D220 WeakPolarHBondContact OG1-CA 3.17Å; T188-D220 WeakPolarHBondContact OG1-CB 3.49Å; T188-D220 PolarHBondContact OG1-OD2 2.95Å; T188-H221 PolarHBondContact O-N 3.44Å; T188-I472 HydrophobicContact CG2-CD1 3.74Å; T188-I472 HydrophobicContact CG2-CG1 4.34Å
189	Y	98.3	Very high	94.9	Very high	7 Å²	7	21.7 Å²	21.7	3%	0.027	14%	0.136	C	C	.	.			trans	-137.4	65.5	-179.2	-66.1	-85.2	0	0	0	111	N187 Q191 K192 A199 D220 H221 V223 Q279 H447 C448	N187-Y189 WeakPolarHBondContact OD1-CE2 3.45Å; Y189-Q191 PolarHBondContact O-N 3.26Å; Y189-K192 HydrophobicContact CD1-CB 4.02Å; Y189-K192 HydrophobicContact CD1-CD 3.51Å; Y189-K192 HydrophobicContact CD1-CG 4.3Å; Y189-K192 HydrophobicContact CE1-CD 4.02Å; Y189-K192 HydrophobicContact CG-CB 4.32Å; Y189-K192 HydrophobicContact CG-CD 4.02Å; Y189-A199 WeakPolarHBondContact O-CB 3.34Å; Y189-D220 WeakPolarHBondContact CA-OD2 3.47Å; Y189-D220 PolarHBondContact N-OD2 3.45Å; Y189-H221 HydrophobicContact CD1-CB 3.53Å; Y189-H221 HydrophobicContact CE1-CB 3.27Å; Y189-H221 AromaticContact CE1-CD2 3.76Å; Y189-H221 AromaticContact CE1-CG 3.46Å; Y189-H221 VanDerWaalsContact CE1-CG 3.46Å; Y189-H221 HydrophobicContact CG-CB 4.47Å; Y189-H221 AromaticContact CZ-CD2 3.51Å; Y189-H221 AromaticContact CZ-CG 3.67Å; Y189-H221 AromaticContact CZ-NE2 3.99Å; Y189-H221 PolarHBondContact OH-CD2 3.46Å; Y189-H221 PolarHBondContact OH-NE2 2.86Å; Y189-V223 HydrophobicContact CD1-CG2 4.05Å; Y189-V223 HydrophobicContact CE1-CG2 4.04Å; Y189-Q279 PolarHBondContact OH-NE2 3.36Å; Y189-H447 PolarHBondContact N-O 2.78Å; Y189-C448 HydrophobicContact CD2-CB 4.04Å; Y189-C448 HydrophobicContact CG-CB 4.21Å
190	L	97.6	Very high	94.8	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.016	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	2.3	-174.5	-61.4	179.8	0	0	0	114.5	D201 D202 F203 T207 I218 D220	L190-D201 HydrophobicContact CD2-CB 4.11Å; L190-D202 WeakPolarHBondContact O-CA 3.28Å; L190-F203 HydrophobicContact CB-CD1 4.18Å; L190-F203 HydrophobicContact CB-CD2 4.39Å; L190-F203 HydrophobicContact CB-CE1 4.23Å; L190-F203 HydrophobicContact CB-CE2 4.44Å; L190-F203 HydrophobicContact CB-CG 4.25Å; L190-F203 HydrophobicContact CB-CZ 4.34Å; L190-F203 HydrophobicContact CD1-CD1 3.89Å; L190-F203 HydrophobicContact CD1-CE1 4.26Å; L190-F203 HydrophobicContact CD1-CG 4.47Å; L190-T207 HydrophobicContact CD1-CG2 4.18Å; L190-I218 HydrophobicContact CD1-CD1 3.62Å; L190-D220 WeakPolarHBondContact CG-OD2 3.43Å; L190-D220 PolarHBondContact N-OD1 3.22Å; L190-D220 PolarHBondContact N-OD2 2.81Å
191	Q	92.8	Very high	94.8	Very high	50 Å²	50	23.3 Å²	23.3	23%	0.234	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.2	13.9	174.5	-164.8	161.4	-43.4	0	0	113.7	Y189 P193 F203 W237	Y189-Q191 PolarHBondContact O-N 3.26Å; Q191-P193 WeakPolarHBondContact O-CD 3.5Å; Q191-F203 HydrophobicContact CB-CE2 4.2Å; Q191-W237 HydrophobicContact CB-CZ2 4.15Å; Q191-W237 HydrophobicContact CG-CZ2 4.42Å
192	K	91.1	Very high	94.7	Very high	23 Å²	23	25.4 Å²	25.4	10%	0.1	16%	0.161	C	C	.	.			trans	-60.9	122.6	-174.3	175.6	169.5	177	-68.3	0	112.1	Y189 V223	Y189-K192 HydrophobicContact CD1-CB 4.02Å; Y189-K192 HydrophobicContact CD1-CD 3.51Å; Y189-K192 HydrophobicContact CD1-CG 4.3Å; Y189-K192 HydrophobicContact CE1-CD 4.02Å; Y189-K192 HydrophobicContact CG-CB 4.32Å; Y189-K192 HydrophobicContact CG-CD 4.02Å; K192-V223 HydrophobicContact CD-CG2 4.35Å; K192-V223 HydrophobicContact CG-CG2 4.29Å
193	P	88.4	Confident	94.7	Very high	26 Å²	26	25.3 Å²	25.3	17%	0.169	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	145.9	174.3	29	-33.6	0	0	0	111	Q191 M197 E225	Q191-P193 WeakPolarHBondContact O-CD 3.5Å; P193-M197 CarbonylContact C-O 3.5Å; P193-M197 WeakPolarHBondContact CA-O 3.42Å; P193-E225 HydrophobicContact CG-CG 4.22Å
194	S	87.6	Confident	94.6	Very high	19 Å²	19	27.5 Å²	27.5	13%	0.133	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	110.3	173.2	-172.6	0	0	0	0	109.7	G196 M197 Y450	S194-G196 VanDerWaalsContact C-N 3.27Å; S194-G196 PolarHBondContact O-N 3.02Å; S194-M197 PolarHBondContact N-O 3.22Å; S194-M197 WeakPolarHBondContact O-CA 3.12Å; S194-M197 WeakPolarHBondContact O-CB 3.2Å; S194-M197 PolarHBondContact O-N 2.86Å; S194-Y450 WeakPolarHBondContact CB-OH 3.32Å
195	Q	85	Confident	94.6	Very high	109 Å²	109	29.6 Å²	29.6	51%	0.509	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	40.3	177.1	-54.5	-179.1	18.6	0	0	114.2	M197 L464	Q195-M197 VanDerWaalsContact C-N 3.26Å; Q195-M197 HydrophobicContact CB-CE 4.47Å; Q195-M197 PolarHBondContact O-N 3.35Å; Q195-L464 PolarHBondContact NE2-O 3.05Å
196	G	85.5	Confident	94.5	Very high	86 Å²	86	29.6 Å²	29.6	89%	0.887	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.8	1.2	-177	0	0	0	0	0	115.3	S194	S194-G196 VanDerWaalsContact C-N 3.27Å; S194-G196 PolarHBondContact O-N 3.02Å
197	M	92.7	Very high	94.5	Very high	40 Å²	40	29.6 Å²	29.6	20%	0.197	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	162.3	170	-55	177.9	-75.1	0	0	110.7	P193 S194 Q195 Q454 V457 P466	P193-M197 CarbonylContact C-O 3.5Å; P193-M197 WeakPolarHBondContact CA-O 3.42Å; S194-M197 PolarHBondContact N-O 3.22Å; S194-M197 WeakPolarHBondContact O-CA 3.12Å; S194-M197 WeakPolarHBondContact O-CB 3.2Å; S194-M197 PolarHBondContact O-N 2.86Å; Q195-M197 VanDerWaalsContact C-N 3.26Å; Q195-M197 HydrophobicContact CB-CE 4.47Å; Q195-M197 PolarHBondContact O-N 3.35Å; M197-Q454 HydrophobicContact SD-CB 3.94Å; M197-Q454 HydrophobicContact SD-CG 3.82Å; M197-V457 HydrophobicContact CE-CB 4.41Å; M197-V457 HydrophobicContact CE-CG2 3.85Å; M197-V457 HydrophobicContact SD-CG2 4.05Å; M197-P466 HydrophobicContact CE-CG 4.29Å
198	T	92.9	Very high	94.5	Very high	79 Å²	79	32.6 Å²	32.6	49%	0.485	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	167.1	167.2	57.4	0	0	0	0	110.5	Q454	T198-Q454 PolarHBondContact O-NE2 2.72Å
199	A	94.5	Very high	94.5	Very high	7 Å²	7	32.6 Å²	32.6	6%	0.058	19%	0.19	C	C	.	.			trans	-52.5	152.2	165.1	0	0	0	0	0	111.5	Y189	Y189-A199 WeakPolarHBondContact O-CB 3.34Å
200	A	96.5	Very high	94.5	Very high	34 Å²	34	32.2 Å²	32.2	28%	0.281	19%	0.189	S	C	.	.	S	Bend	trans	-77.1	-33.3	-177.3	0	0	0	0	0	112.9	P449 V543	A200-P449 PolarHBondContact N-O 3.46Å; A200-V543 HydrophobicContact CB-CG1 3.57Å
201	D	97.4	Very high	94.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-89.4	124	170.4	-76.6	-23	0	0	0	110	L190 Q205 H447 P449 S541 A542	L190-D201 HydrophobicContact CD2-CB 4.11Å; D201-Q205 HydrophobicContact CB-CB 4.43Å; D201-Q205 WeakPolarHBondContact OD1-CG 3.16Å; D201-H447 IonicContact OD2-CE1 2.66Å; D201-H447 PolarHBondContact OD2-CE1 3.47Å; D201-H447 IonicContact OD2-NE2 2.71Å; D201-H447 PolarHBondContact OD2-NE2 3.19Å; D201-H447 VanDerWaalsContact OD2-NE2 3.17Å; D201-P449 HydrophobicContact CB-CG 3.79Å; D201-S541 PolarHBondContact OD1-OG 2.77Å; D201-S541 WeakPolarHBondContact OD2-CA 3.23Å; D201-S541 WeakPolarHBondContact OD2-CB 3.25Å; D201-S541 PolarHBondContact OD2-OG 3.37Å; D201-A542 VanDerWaalsContact OD1-CB 3.28Å; D201-A542 WeakPolarHBondContact OD1-CB 3.43Å; D201-A542 PolarHBondContact OD1-N 3.02Å
202	D	97.2	Very high	94.8	Very high	48 Å²	48	30.1 Å²	30.1	26%	0.257	18%	0.18	S	C	.	.			trans	-93	178.3	171.4	84.3	-10.6	0	0	0	111.8	L190 F204 Q205 G206 K244	L190-D202 WeakPolarHBondContact O-CA 3.28Å; D202-F204 PolarHBondContact O-N 3Å; D202-F204 WeakPolarHBondContact OD1-CA 3.46Å; D202-F204 WeakPolarHBondContact OD1-CB 3.46Å; D202-F204 PolarHBondContact OD1-N 3.16Å; D202-Q205 PolarHBondContact O-N 2.99Å; D202-Q205 VanDerWaalsContact O-N 3.14Å; D202-Q205 PolarHBondContact OD1-N 3.16Å; D202-G206 PolarHBondContact O-N 2.91Å; D202-K244 WeakPolarHBondContact OD2-CD 3.2Å; D202-K244 WeakPolarHBondContact OD2-CE 3.3Å; D202-K244 IonicContact OD2-NZ 2.75Å; D202-K244 PolarHBondContact OD2-NZ 3.01Å
203	F	98.4	Very high	95.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-52.7	-28.8	177.9	-82.5	-72.2	0	0	0	114.9	L190 Q191 T207 I218 D220 W237 A240 A241 K244 L251	L190-F203 HydrophobicContact CB-CD1 4.18Å; L190-F203 HydrophobicContact CB-CD2 4.39Å; L190-F203 HydrophobicContact CB-CE1 4.23Å; L190-F203 HydrophobicContact CB-CE2 4.44Å; L190-F203 HydrophobicContact CB-CG 4.25Å; L190-F203 HydrophobicContact CB-CZ 4.34Å; L190-F203 HydrophobicContact CD1-CD1 3.89Å; L190-F203 HydrophobicContact CD1-CE1 4.26Å; L190-F203 HydrophobicContact CD1-CG 4.47Å; Q191-F203 HydrophobicContact CB-CE2 4.2Å; F203-T207 WeakPolarHBondContact O-CB 3.47Å; F203-T207 WeakPolarHBondContact O-CG2 3.33Å; F203-T207 PolarHBondContact O-OG1 2.94Å; F203-I218 HydrophobicContact CD1-CD1 4.15Å; F203-I218 HydrophobicContact CE1-CD1 4.02Å; F203-D220 HydrophobicContact CE1-CB 3.77Å; F203-D220 HydrophobicContact CZ-CB 3.84Å; F203-D220 WeakPolarHBondContact CZ-OD1 3.5Å; F203-W237 AromaticContact CZ-CD1 3.93Å; F203-A240 HydrophobicContact CD2-CB 4.23Å; F203-A241 HydrophobicContact CD1-CB 3.65Å; F203-A241 HydrophobicContact CD2-CB 3.99Å; F203-A241 HydrophobicContact CE1-CB 3.66Å; F203-A241 HydrophobicContact CE2-CB 3.99Å; F203-A241 HydrophobicContact CG-CB 3.83Å; F203-A241 HydrophobicContact CZ-CB 3.84Å; F203-K244 HydrophobicContact CB-CB 3.75Å; F203-K244 HydrophobicContact CB-CD 4.26Å; F203-L251 HydrophobicContact CZ-CD2 4.5Å
204	F	98.1	Very high	95.6	Very high	45 Å²	45	27.9 Å²	27.9	20%	0.197	17%	0.167	C	C	.	.	H	α-helix	trans	-78.1	-51.6	175.4	173.3	-110.9	0	0	0	110.9	D202 R208 K244 C246 V575 K577	D202-F204 PolarHBondContact O-N 3Å; D202-F204 WeakPolarHBondContact OD1-CA 3.46Å; D202-F204 WeakPolarHBondContact OD1-CB 3.46Å; D202-F204 PolarHBondContact OD1-N 3.16Å; F204-R208 WeakPolarHBondContact O-CB 3.19Å; F204-R208 PolarHBondContact O-N 3.47Å; F204-K244 WeakPolarHBondContact CA-O 3.2Å; F204-K244 HydrophobicContact CB-CB 4.11Å; F204-C246 WeakPolarHBondContact CD2-SG 3.34Å; F204-C246 VanDerWaalsContact CE2-SG 3.58Å; F204-V575 HydrophobicContact CE2-CG2 4.49Å; F204-K577 HydrophobicContact CB-CG 4.23Å; F204-K577 HydrophobicContact CD1-CG 4.49Å; F204-K577 HydrophobicContact CD2-CB 4.33Å; F204-K577 HydrophobicContact CD2-CD 4.27Å; F204-K577 HydrophobicContact CD2-CG 3.28Å; F204-K577 HydrophobicContact CE2-CG 3.63Å; F204-K577 HydrophobicContact CG-CD 4.3Å; F204-K577 HydrophobicContact CG-CG 3.76Å; F204-K577 HydrophobicContact CZ-CG 4.37Å
205	Q	97.4	Very high	96.2	Very high	46 Å²	46	27 Å²	27	22%	0.215	16%	0.161	C	C	.	.	H	α-helix	trans	-67.1	-45.1	-175.4	-166.5	73	-2.7	0	0	111.7	D201 D202 R208 A209 K540 A542	D201-Q205 HydrophobicContact CB-CB 4.43Å; D201-Q205 WeakPolarHBondContact OD1-CG 3.16Å; D202-Q205 PolarHBondContact O-N 2.99Å; D202-Q205 VanDerWaalsContact O-N 3.14Å; D202-Q205 PolarHBondContact OD1-N 3.16Å; Q205-R208 PolarHBondContact O-N 2.91Å; Q205-A209 WeakPolarHBondContact O-CB 3.33Å; Q205-A209 PolarHBondContact O-N 2.96Å; Q205-K540 VanDerWaalsContact CD-O 3.27Å; Q205-K540 WeakPolarHBondContact CG-O 3.29Å; Q205-K540 PolarHBondContact NE2-O 3.14Å; Q205-A542 HydrophobicContact CG-CB 4.23Å
206	G	98	Very high	96.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.6	-47.3	179.8	0	0	0	0	0	113	D202 R208 A209 A210	D202-G206 PolarHBondContact O-N 2.91Å; G206-R208 PolarHBondContact O-N 2.96Å; G206-A209 CarbonylContact O-C 3.57Å; G206-A209 WeakPolarHBondContact O-CB 3.42Å; G206-A209 PolarHBondContact O-N 3.49Å; G206-A209 VanDerWaalsContact O-N 3.14Å; G206-A210 PolarHBondContact O-N 2.9Å
207	T	98.6	Very high	97.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-72.5	-30	179.8	62.4	0	0	0	0	112.7	L190 F203 A209 A210 L211 I218 S245 C246	L190-T207 HydrophobicContact CD1-CG2 4.18Å; F203-T207 WeakPolarHBondContact O-CB 3.47Å; F203-T207 WeakPolarHBondContact O-CG2 3.33Å; F203-T207 PolarHBondContact O-OG1 2.94Å; T207-A209 VanDerWaalsContact C-N 3.32Å; T207-A210 WeakPolarHBondContact O-CB 3.27Å; T207-A210 PolarHBondContact O-N 3.18Å; T207-L211 WeakPolarHBondContact O-CG 3.34Å; T207-L211 PolarHBondContact O-N 2.88Å; T207-I218 HydrophobicContact CG2-CD1 3.56Å; T207-I218 HydrophobicContact CG2-CG1 4.17Å; T207-S245 WeakPolarHBondContact CG2-OG 3.34Å; T207-C246 WeakPolarHBondContact OG1-CB 3.35Å; T207-C246 PolarHBondContact OG1-N 3.49Å
208	R	98.2	Very high	97.8	Very high	62 Å²	62	15.9 Å²	15.9	23%	0.234	9%	0.086	C	C	.	.	H	α-helix	trans	-62.4	-39.6	167.8	-179.1	177.4	172.3	-99.3	-1.5	111.5	F204 Q205 G206 V212 I573 V575	F204-R208 WeakPolarHBondContact O-CB 3.19Å; F204-R208 PolarHBondContact O-N 3.47Å; Q205-R208 PolarHBondContact O-N 2.91Å; G206-R208 PolarHBondContact O-N 2.96Å; R208-V212 PolarHBondContact O-N 2.92Å; R208-I573 HydrophobicContact CB-CD1 4.47Å; R208-I573 HydrophobicContact CG-CD1 3.59Å; R208-I573 HydrophobicContact CG-CG1 4.32Å; R208-I573 VanDerWaalsContact O-CD1 3.23Å; R208-I573 WeakPolarHBondContact O-CD1 3.47Å; R208-V575 HydrophobicContact CB-CG2 4.41Å; R208-V575 HydrophobicContact CG-CG2 4.02Å
209	A	98.4	Very high	98.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-69.8	-41.4	174.2	0	0	0	0	0	112.6	Q205 G206 T207 L211 V212 G213 I472 E473 K540	Q205-A209 WeakPolarHBondContact O-CB 3.33Å; Q205-A209 PolarHBondContact O-N 2.96Å; G206-A209 CarbonylContact O-C 3.57Å; G206-A209 WeakPolarHBondContact O-CB 3.42Å; G206-A209 PolarHBondContact O-N 3.49Å; G206-A209 VanDerWaalsContact O-N 3.14Å; T207-A209 VanDerWaalsContact C-N 3.32Å; A209-L211 VanDerWaalsContact C-N 3.3Å; A209-L211 PolarHBondContact O-N 2.86Å; A209-V212 PolarHBondContact O-N 2.94Å; A209-G213 PolarHBondContact O-N 2.84Å; A209-I472 HydrophobicContact CB-CG2 3.85Å; A209-E473 HydrophobicContact CB-CB 4.27Å; A209-K540 HydrophobicContact CB-CB 3.89Å
210	A	98.8	Very high	98.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-52.3	-48.7	173.1	0	0	0	0	0	111.4	G206 T207 V212 G213 G214 T215 I218 I472	G206-A210 PolarHBondContact O-N 2.9Å; T207-A210 WeakPolarHBondContact O-CB 3.27Å; T207-A210 PolarHBondContact O-N 3.18Å; A210-V212 PolarHBondContact O-N 3.1Å; A210-G213 CarbonylContact O-C 3.33Å; A210-G213 WeakPolarHBondContact O-CA 3.32Å; A210-G213 PolarHBondContact O-N 3.24Å; A210-G214 PolarHBondContact O-N 3.14Å; A210-G214 VanDerWaalsContact O-N 3.16Å; A210-T215 CarbonylContact C-O 3.58Å; A210-T215 HydrophobicContact CB-CG2 4.01Å; A210-T215 WeakPolarHBondContact O-CA 3.4Å; A210-T215 WeakPolarHBondContact O-CB 3.45Å; A210-T215 PolarHBondContact O-N 2.93Å; A210-T215 VanDerWaalsContact O-O 3.13Å; A210-I218 HydrophobicContact CB-CG2 4.27Å; A210-I472 HydrophobicContact CB-CD1 3.99Å; A210-I472 HydrophobicContact CB-CG1 3.79Å
211	L	98.8	Very high	98.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.9	-38.8	179.3	-73.4	174.3	0	0	0	113.2	T207 A209 G213 G214 T215 T216 C246 C247 V560 V567 I573 V575	T207-L211 WeakPolarHBondContact O-CG 3.34Å; T207-L211 PolarHBondContact O-N 2.88Å; A209-L211 VanDerWaalsContact C-N 3.3Å; A209-L211 PolarHBondContact O-N 2.86Å; L211-G213 PolarHBondContact O-N 2.85Å; L211-G214 PolarHBondContact O-N 2.77Å; L211-T215 WeakPolarHBondContact CA-O 3.32Å; L211-T215 PolarHBondContact N-O 3.03Å; L211-T216 HydrophobicContact CD2-CG2 4.19Å; L211-C246 HydrophobicContact CD1-CB 3.77Å; L211-C247 HydrophobicContact CD1-CB 4.1Å; L211-C247 HydrophobicContact CD2-CB 3.85Å; L211-C247 HydrophobicContact CG-CB 3.95Å; L211-V560 HydrophobicContact CD2-CG1 4.11Å; L211-V560 WeakPolarHBondContact O-CG2 3.41Å; L211-V567 HydrophobicContact CD1-CB 4.29Å; L211-V567 HydrophobicContact CD1-CG2 4.07Å; L211-V567 HydrophobicContact CD2-CG2 3.85Å; L211-V567 HydrophobicContact CG-CG2 4.38Å; L211-I573 HydrophobicContact CB-CD1 4.17Å; L211-V575 HydrophobicContact CD1-CG1 3.73Å
212	V	98.1	Very high	98.4	Very high	9 Å²	9	10.1 Å²	10.1	6%	0.055	5%	0.047	C	C	.	.	H	α-helix	trans	-65.9	-27.5	172.4	174.5	0	0	0	0	111.9	R208 A209 A210 G214 E473 K540 P557 F568 I573	R208-V212 PolarHBondContact O-N 2.92Å; A209-V212 PolarHBondContact O-N 2.94Å; A210-V212 PolarHBondContact O-N 3.1Å; V212-G214 VanDerWaalsContact C-N 3.35Å; V212-E473 HydrophobicContact CB-CG 4.34Å; V212-E473 HydrophobicContact CG1-CG 4.19Å; V212-K540 HydrophobicContact CB-CG 4.16Å; V212-K540 HydrophobicContact CG1-CG 4.32Å; V212-K540 HydrophobicContact CG2-CG 3.76Å; V212-P557 WeakPolarHBondContact O-CG 3.5Å; V212-F568 HydrophobicContact CB-CE2 4.45Å; V212-F568 HydrophobicContact CG1-CE2 3.98Å; V212-F568 HydrophobicContact CG1-CZ 4.22Å; V212-F568 HydrophobicContact CG2-CD2 3.93Å; V212-F568 HydrophobicContact CG2-CE2 4.04Å; V212-I573 HydrophobicContact CG2-CB 4.18Å; V212-I573 HydrophobicContact CG2-CD1 3.52Å; V212-I573 HydrophobicContact CG2-CG1 4.44Å; V212-I573 HydrophobicContact CG2-CG2 4.49Å
213	G	97.9	Very high	98.4	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.01	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-5.6	173.4	0	0	0	0	0	115.7	A209 A210 L211 E473	A209-G213 PolarHBondContact O-N 2.84Å; A210-G213 CarbonylContact O-C 3.33Å; A210-G213 WeakPolarHBondContact O-CA 3.32Å; A210-G213 PolarHBondContact O-N 3.24Å; L211-G213 PolarHBondContact O-N 2.85Å; G213-E473 WeakPolarHBondContact CA-O 3.47Å
214	G	98.4	Very high	98.2	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	3.3	-173	0	0	0	0	0	114.9	G183 A210 L211 V212 V524	G183-G214 PolarHBondContact N-O 2.74Å; A210-G214 PolarHBondContact O-N 3.14Å; A210-G214 VanDerWaalsContact O-N 3.16Å; L211-G214 PolarHBondContact O-N 2.77Å; V212-G214 VanDerWaalsContact C-N 3.35Å; G214-V524 VanDerWaalsContact O-CG2 3.29Å; G214-V524 WeakPolarHBondContact O-CG2 3.18Å
215	T	98.9	Very high	97.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.3	172.8	-66	0	0	0	0	109.5	G183 D185 A210 L211 M217 I218 R475	G183-T215 CarbonylContact O-C 3.54Å; G183-T215 WeakPolarHBondContact O-CA 3.38Å; G183-T215 WeakPolarHBondContact O-CG2 3.34Å; D185-T215 HydrophobicContact CB-CG2 3.73Å; A210-T215 CarbonylContact C-O 3.58Å; A210-T215 HydrophobicContact CB-CG2 4.01Å; A210-T215 WeakPolarHBondContact O-CA 3.4Å; A210-T215 WeakPolarHBondContact O-CB 3.45Å; A210-T215 PolarHBondContact O-N 2.93Å; A210-T215 VanDerWaalsContact O-O 3.13Å; L211-T215 WeakPolarHBondContact CA-O 3.32Å; L211-T215 PolarHBondContact N-O 3.03Å; T215-M217 VanDerWaalsContact CG2-O 3.26Å; T215-M217 WeakPolarHBondContact CG2-O 3.33Å; T215-I218 HydrophobicContact CG2-CG2 4.45Å; T215-R475 PolarHBondContact OG1-NH2 3.12Å
216	T	98.9	Very high	97.3	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.012	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-5.4	-177.2	59.4	0	0	0	0	113.6	G182 G183 L211 C247 D248 D522 V560	G182-T216 VanDerWaalsContact CA-OG1 3.3Å; G182-T216 WeakPolarHBondContact CA-OG1 3.31Å; G183-T216 PolarHBondContact O-N 3.36Å; L211-T216 HydrophobicContact CD2-CG2 4.19Å; T216-C247 WeakPolarHBondContact O-CB 3.47Å; T216-D248 PolarHBondContact O-N 2.9Å; T216-D522 HydrophobicContact CG2-CB 4.38Å; T216-D522 WeakPolarHBondContact OG1-CB 3.29Å; T216-V560 HydrophobicContact CG2-CG1 3.73Å
217	M	98.9	Very high	96.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.7	169.4	-177	177.9	-177.2	0	0	111.8	G183 I184 D185 T215 I219 D248 L508 K512 I583	G183-M217 PolarHBondContact O-N 2.6Å; I184-M217 WeakPolarHBondContact CA-O 3.4Å; I184-M217 HydrophobicContact CG1-CB 4.33Å; I184-M217 HydrophobicContact CG2-CB 4.32Å; I184-M217 HydrophobicContact CG2-CG 4.37Å; I184-M217 HydrophobicContact CG2-SD 4.44Å; D185-M217 PolarHBondContact N-O 3.12Å; T215-M217 VanDerWaalsContact CG2-O 3.26Å; T215-M217 WeakPolarHBondContact CG2-O 3.33Å; M217-I219 HydrophobicContact CE-CG1 4.39Å; M217-D248 VanDerWaalsContact CA-O 3.25Å; M217-D248 WeakPolarHBondContact CA-O 3.4Å; M217-D248 WeakPolarHBondContact CG-O 3.44Å; M217-L508 HydrophobicContact CE-CD1 3.76Å; M217-L508 HydrophobicContact CE-CD2 4.33Å; M217-L508 HydrophobicContact SD-CD1 3.71Å; M217-K512 HydrophobicContact CB-CD 4.25Å; M217-K512 HydrophobicContact CG-CD 4.4Å; M217-K512 HydrophobicContact SD-CD 3.4Å; M217-K512 WeakPolarHBondContact SD-CD 3.4Å; M217-K512 VanDerWaalsContact SD-CE 3.56Å; M217-I583 HydrophobicContact CE-CB 3.87Å; M217-I583 HydrophobicContact CE-CG1 4.03Å; M217-I583 HydrophobicContact CE-CG2 4.45Å
218	I	98.9	Very high	96.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	156.4	168.1	67.1	165.8	0	0	0	111.5	D185 T188 L190 F203 T207 A210 T215 D220 D248 Y249 S250 I472	D185-I218 HydrophobicContact CB-CG2 4.47Å; D185-I218 CarbonylContact O-C 3.45Å; D185-I218 VanDerWaalsContact O-CA 3.26Å; D185-I218 WeakPolarHBondContact O-CA 3.36Å; T188-I218 HydrophobicContact CG2-CB 4.27Å; T188-I218 HydrophobicContact CG2-CG2 4.26Å; L190-I218 HydrophobicContact CD1-CD1 3.62Å; F203-I218 HydrophobicContact CD1-CD1 4.15Å; F203-I218 HydrophobicContact CE1-CD1 4.02Å; T207-I218 HydrophobicContact CG2-CD1 3.56Å; T207-I218 HydrophobicContact CG2-CG1 4.17Å; A210-I218 HydrophobicContact CB-CG2 4.27Å; T215-I218 HydrophobicContact CG2-CG2 4.45Å; I218-D220 HydrophobicContact CD1-CB 4.39Å; I218-D248 PolarHBondContact N-O 3.16Å; I218-Y249 CarbonylContact O-C 3.56Å; I218-Y249 VanDerWaalsContact O-CA 3.27Å; I218-Y249 WeakPolarHBondContact O-CA 3.41Å; I218-S250 PolarHBondContact O-N 2.83Å; I218-I472 HydrophobicContact CG2-CD1 4.08Å
219	I	98.9	Very high	96.3	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	107.4	161.2	-41.6	-177	0	0	0	107.4	D185 V186 T188 M217 S250 H252 F506	D185-I219 PolarHBondContact O-N 2.95Å; V186-I219 CarbonylContact C-O 3.18Å; V186-I219 HydrophobicContact CG1-CD1 4.17Å; T188-I219 PolarHBondContact N-O 3.14Å; M217-I219 HydrophobicContact CE-CG1 4.39Å; I219-S250 WeakPolarHBondContact CA-O 3.39Å; I219-H252 VanDerWaalsContact CG2-CD2 3.41Å; I219-H252 WeakPolarHBondContact CG2-CD2 3.35Å; I219-H252 VanDerWaalsContact CG2-NE2 3.27Å; I219-H252 WeakPolarHBondContact CG2-NE2 3.24Å; I219-F506 HydrophobicContact CD1-CB 4.1Å; I219-F506 HydrophobicContact CD1-CD2 3.7Å; I219-F506 HydrophobicContact CD1-CE2 4.36Å; I219-F506 HydrophobicContact CD1-CG 3.93Å
220	D	98.9	Very high	96.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	151.9	-175.3	-157.3	-99.4	0	0	0	111.1	T188 Y189 L190 F203 I218 W237 S250 L251 H252	T188-D220 WeakPolarHBondContact CB-OD2 3.3Å; T188-D220 WeakPolarHBondContact O-CA 3.32Å; T188-D220 VanDerWaalsContact O-OD2 3.11Å; T188-D220 WeakPolarHBondContact OG1-CA 3.17Å; T188-D220 WeakPolarHBondContact OG1-CB 3.49Å; T188-D220 PolarHBondContact OG1-OD2 2.95Å; Y189-D220 WeakPolarHBondContact CA-OD2 3.47Å; Y189-D220 PolarHBondContact N-OD2 3.45Å; L190-D220 WeakPolarHBondContact CG-OD2 3.43Å; L190-D220 PolarHBondContact N-OD1 3.22Å; L190-D220 PolarHBondContact N-OD2 2.81Å; F203-D220 HydrophobicContact CE1-CB 3.77Å; F203-D220 HydrophobicContact CZ-CB 3.84Å; F203-D220 WeakPolarHBondContact CZ-OD1 3.5Å; I218-D220 HydrophobicContact CD1-CB 4.39Å; D220-W237 PolarHBondContact OD1-NE1 2.95Å; D220-S250 PolarHBondContact N-O 2.76Å; D220-L251 HydrophobicContact CB-CD2 3.98Å; D220-L251 CarbonylContact O-C 3.56Å; D220-L251 WeakPolarHBondContact O-CA 3.34Å; D220-H252 PolarHBondContact O-N 2.83Å
221	H	98.7	Very high	96.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.1	176.6	-77.3	-96.7	0	0	0	111.8	T188 Y189 V223 W237 H252 D254 Q279	T188-H221 PolarHBondContact O-N 3.44Å; Y189-H221 HydrophobicContact CD1-CB 3.53Å; Y189-H221 HydrophobicContact CE1-CB 3.27Å; Y189-H221 AromaticContact CE1-CD2 3.76Å; Y189-H221 AromaticContact CE1-CG 3.46Å; Y189-H221 VanDerWaalsContact CE1-CG 3.46Å; Y189-H221 HydrophobicContact CG-CB 4.47Å; Y189-H221 AromaticContact CZ-CD2 3.51Å; Y189-H221 AromaticContact CZ-CG 3.67Å; Y189-H221 AromaticContact CZ-NE2 3.99Å; Y189-H221 PolarHBondContact OH-CD2 3.46Å; Y189-H221 PolarHBondContact OH-NE2 2.86Å; H221-V223 HydrophobicContact CB-CG2 4.06Å; H221-V223 PolarHBondContact O-N 2.72Å; H221-W237 PolarHBondContact O-NE1 3.13Å; H221-H252 AromaticContact CE1-CD2 4Å; H221-H252 AromaticContact NE2-CD2 3.76Å; H221-D254 IonicContact CE1-OD1 3.61Å; H221-D254 IonicContact CG-OD1 3.54Å; H221-D254 IonicContact ND1-OD1 2.63Å; H221-D254 PolarHBondContact ND1-OD1 2.58Å; H221-D254 IonicContact ND1-OD2 3.72Å; H221-Q279 PolarHBondContact CE1-NE2 2.88Å; H221-Q279 VanDerWaalsContact CE1-NE2 3.28Å; H221-Q279 PolarHBondContact ND1-NE2 2.9Å
222	V	98.6	Very high	96.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	115.4	160.7	-175.8	0	0	0	0	107.5	P224 S233 F234 W237 L251 H252 V253 D254	V222-P224 WeakPolarHBondContact O-CD 3.3Å; V222-S233 VanDerWaalsContact CG1-C 3.49Å; V222-F234 HydrophobicContact CG2-CD2 4.5Å; V222-W237 HydrophobicContact CB-CD2 4.32Å; V222-W237 HydrophobicContact CB-CG 4.21Å; V222-W237 HydrophobicContact CG1-CB 4.44Å; V222-W237 HydrophobicContact CG1-CD2 3.99Å; V222-W237 HydrophobicContact CG1-CE3 4Å; V222-W237 HydrophobicContact CG1-CG 4.21Å; V222-W237 HydrophobicContact CG1-CZ3 4.49Å; V222-W237 HydrophobicContact CG2-CB 3.71Å; V222-W237 HydrophobicContact CG2-CD2 4.4Å; V222-W237 HydrophobicContact CG2-CG 3.79Å; V222-L251 HydrophobicContact CG2-CB 3.96Å; V222-L251 HydrophobicContact CG2-CD1 4.01Å; V222-L251 HydrophobicContact CG2-CD2 4.07Å; V222-L251 HydrophobicContact CG2-CG 4.23Å; V222-H252 WeakPolarHBondContact CB-O 3.25Å; V222-H252 WeakPolarHBondContact CG2-O 3.47Å; V222-H252 PolarHBondContact N-O 3Å; V222-V253 HydrophobicContact CB-CG2 4.1Å; V222-V253 HydrophobicContact CG2-CG2 4.1Å; V222-D254 VanDerWaalsContact O-CB 3.28Å; V222-D254 WeakPolarHBondContact O-CB 3.18Å; V222-D254 PolarHBondContact O-N 2.82Å
223	V	96.6	Very high	96.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.149	C	C	.	.			trans	-114.8	92.6	-179.6	-174	0	0	0	0	109.8	Y189 K192 H221 W237	Y189-V223 HydrophobicContact CD1-CG2 4.05Å; Y189-V223 HydrophobicContact CE1-CG2 4.04Å; K192-V223 HydrophobicContact CD-CG2 4.35Å; K192-V223 HydrophobicContact CG-CG2 4.29Å; H221-V223 HydrophobicContact CB-CG2 4.06Å; H221-V223 PolarHBondContact O-N 2.72Å; V223-W237 HydrophobicContact CB-CZ2 4.34Å; V223-W237 VanDerWaalsContact O-CH2 3.28Å; V223-W237 WeakPolarHBondContact O-CH2 3.41Å
224	P	94.4	Very high	96.1	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-62.4	136.5	176.6	-19.7	31.3	0	0	0	111.9	V222 L230 S233 D254 T256	V222-P224 WeakPolarHBondContact O-CD 3.3Å; P224-L230 HydrophobicContact CB-CD2 4.38Å; P224-L230 HydrophobicContact CG-CD2 3.67Å; P224-S233 WeakPolarHBondContact CB-OG 3.22Å; P224-D254 VanDerWaalsContact CD-O 3.28Å; P224-D254 WeakPolarHBondContact CD-O 3.18Å; P224-D254 WeakPolarHBondContact CG-O 3.48Å; P224-T256 WeakPolarHBondContact O-CG2 3.46Å; P224-T256 PolarHBondContact O-OG1 3.26Å
225	E	90.4	Very high	96.1	Very high	114 Å²	114	26.2 Å²	26.2	53%	0.533	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-65.2	142.9	166.6	-63	-174.9	132.3	0	0	109.8	P193 G227 S228	P193-E225 HydrophobicContact CG-CG 4.22Å; E225-G227 PolarHBondContact O-N 2.92Å; E225-S228 WeakPolarHBondContact O-CB 3.4Å; E225-S228 PolarHBondContact O-N 2.71Å; E225-S228 PolarHBondContact O-OG 3.08Å
226	P	85.8	Confident	96.1	Very high	76 Å²	76	31.5 Å²	31.5	49%	0.494	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	128.3	-178.5	-28.8	36.1	0	0	0	112.8	V287 Y288	P226-V287 HydrophobicContact CG-CG1 4.1Å; P226-Y288 HydrophobicContact CG-CD1 4.45Å; P226-Y288 HydrophobicContact CG-CE1 4.03Å
227	G	86.1	Confident	96	Very high	79 Å²	79	32.2 Å²	32.2	81%	0.814	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.7	-2.2	-174.9	0	0	0	0	0	115.5	E225	E225-G227 PolarHBondContact O-N 2.92Å
228	S	92.4	Very high	96	Very high	42 Å²	42	34.3 Å²	34.3	29%	0.294	20%	0.201	S	C	.	.	S	Bend	trans	-83.6	146.8	170.6	-62.4	0	0	0	0	112.1	E225	E225-S228 WeakPolarHBondContact O-CB 3.4Å; E225-S228 PolarHBondContact O-N 2.71Å; E225-S228 PolarHBondContact O-OG 3.08Å
229	S	95.7	Very high	96	Very high	32 Å²	32	40.8 Å²	40.8	22%	0.224	23%	0.231	C	C	.	.			trans	-62.3	139.9	169.9	147.6	0	0	0	0	111.4	L231 T232 S233 E265	S229-L231 PolarHBondContact OG-N 2.96Å; S229-T232 WeakPolarHBondContact CB-OG1 3.36Å; S229-T232 PolarHBondContact OG-N 3.11Å; S229-T232 PolarHBondContact OG-OG1 3.33Å; S229-S233 WeakPolarHBondContact O-CB 3.21Å; S229-S233 PolarHBondContact O-N 3.06Å; S229-S233 VanDerWaalsContact O-N 3.1Å; S229-S233 PolarHBondContact O-OG 3.26Å; S229-E265 WeakPolarHBondContact CB-OE2 3.48Å; S229-E265 PolarHBondContact OG-OE2 3.33Å
230	L	97.7	Very high	95.9	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-45.1	174.4	-56.4	-170.7	0	0	0	110.8	P224 S233 F234 V253 V262 E265 L266 L269	P224-L230 HydrophobicContact CB-CD2 4.38Å; P224-L230 HydrophobicContact CG-CD2 3.67Å; L230-S233 PolarHBondContact O-N 3.45Å; L230-F234 WeakPolarHBondContact O-CB 3.21Å; L230-F234 PolarHBondContact O-N 3.01Å; L230-V253 HydrophobicContact CB-CG1 4.2Å; L230-V253 HydrophobicContact CD1-CG1 4.45Å; L230-V253 HydrophobicContact CD2-CG1 4.41Å; L230-V262 HydrophobicContact CD1-CG2 3.55Å; L230-V262 HydrophobicContact CG-CG2 4.02Å; L230-E265 HydrophobicContact CB-CB 4.31Å; L230-E265 PolarHBondContact N-OE2 2.79Å; L230-L266 HydrophobicContact CD1-CD2 3.7Å; L230-L266 HydrophobicContact CD1-CG 4.03Å; L230-L269 HydrophobicContact CB-CD1 3.85Å; L230-L269 HydrophobicContact CD1-CD1 4.32Å
231	L	97.5	Very high	95.9	Very high	41 Å²	41	41.4 Å²	41.4	22%	0.215	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-47.1	177.6	-71.2	170.7	0	0	0	111.7	S229 S233 F234 E235 E265 V268 L269 K273	S229-L231 PolarHBondContact OG-N 2.96Å; L231-S233 PolarHBondContact O-N 3.31Å; L231-F234 WeakPolarHBondContact O-CB 3.41Å; L231-F234 PolarHBondContact O-N 3.48Å; L231-E235 WeakPolarHBondContact O-CG 3.32Å; L231-E235 PolarHBondContact O-N 3.22Å; L231-E265 HydrophobicContact CD1-CB 4.19Å; L231-E265 HydrophobicContact CD1-CG 3.98Å; L231-E265 HydrophobicContact CG-CB 4.08Å; L231-E265 HydrophobicContact CG-CG 4.2Å; L231-E265 PolarHBondContact N-OE2 2.89Å; L231-V268 HydrophobicContact CD1-CB 4.22Å; L231-V268 HydrophobicContact CD1-CG1 4.12Å; L231-V268 HydrophobicContact CD2-CB 3.99Å; L231-V268 HydrophobicContact CD2-CG1 3.59Å; L231-L269 HydrophobicContact CD2-CD2 3.86Å; L231-L269 HydrophobicContact CD2-CG 3.74Å; L231-K273 HydrophobicContact CD2-CG 4.47Å
232	T	97.1	Very high	95.8	Very high	77 Å²	77	45 Å²	45	47%	0.472	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-34.4	178.4	-56.9	0	0	0	0	111.6	S229 K236	S229-T232 WeakPolarHBondContact CB-OG1 3.36Å; S229-T232 PolarHBondContact OG-N 3.11Å; S229-T232 PolarHBondContact OG-OG1 3.33Å; T232-K236 WeakPolarHBondContact O-CG 3.48Å; T232-K236 PolarHBondContact O-N 2.75Å
233	S	97.7	Very high	95.8	Very high	4 Å²	4	49 Å²	49	3%	0.028	28%	0.28	C	S	.	.	H	α-helix	trans	-73.1	-41	175.9	-54.8	0	0	0	0	111.3	V222 P224 S229 L230 L231 E235 K236 W237	V222-S233 VanDerWaalsContact CG1-C 3.49Å; P224-S233 WeakPolarHBondContact CB-OG 3.22Å; S229-S233 WeakPolarHBondContact O-CB 3.21Å; S229-S233 PolarHBondContact O-N 3.06Å; S229-S233 VanDerWaalsContact O-N 3.1Å; S229-S233 PolarHBondContact O-OG 3.26Å; L230-S233 PolarHBondContact O-N 3.45Å; L231-S233 PolarHBondContact O-N 3.31Å; S233-E235 PolarHBondContact O-N 3.26Å; S233-K236 PolarHBondContact O-N 2.65Å; S233-W237 VanDerWaalsContact O-CE3 3.28Å; S233-W237 PolarHBondContact O-N 2.96Å; S233-W237 VanDerWaalsContact O-N 3.16Å
234	F	98.4	Very high	95.8	Very high	3 Å²	3	51.9 Å²	51.9	1%	0.013	29%	0.293	C	S	.	.	H	α-helix	trans	-57.6	-49.1	175.1	171.7	-88.1	0	0	0	111.7	V222 L230 L231 K236 W237 H238 L251 V253 L269 K273 V275 F582	V222-F234 HydrophobicContact CG2-CD2 4.5Å; L230-F234 WeakPolarHBondContact O-CB 3.21Å; L230-F234 PolarHBondContact O-N 3.01Å; L231-F234 WeakPolarHBondContact O-CB 3.41Å; L231-F234 PolarHBondContact O-N 3.48Å; F234-K236 VanDerWaalsContact C-N 3.32Å; F234-K236 PolarHBondContact O-N 2.89Å; F234-W237 PolarHBondContact O-N 3.31Å; F234-H238 HydrophobicContact CE1-CB 4.12Å; F234-H238 HydrophobicContact CZ-CB 4.32Å; F234-H238 AromaticContact CZ-CD2 3.91Å; F234-H238 WeakPolarHBondContact O-CB 3.46Å; F234-H238 PolarHBondContact O-N 3.29Å; F234-L251 HydrophobicContact CD2-CB 4.41Å; F234-L251 HydrophobicContact CD2-CD1 3.97Å; F234-L251 HydrophobicContact CE2-CB 4.12Å; F234-L251 HydrophobicContact CE2-CD1 3.7Å; F234-L251 HydrophobicContact CZ-CD1 4.35Å; F234-V253 HydrophobicContact CD2-CG2 4.1Å; F234-L269 HydrophobicContact CB-CD2 3.75Å; F234-L269 HydrophobicContact CD1-CD2 4.28Å; F234-L269 HydrophobicContact CD2-CD2 3.87Å; F234-L269 HydrophobicContact CG-CD2 3.68Å; F234-K273 HydrophobicContact CD1-CB 4.36Å; F234-K273 HydrophobicContact CD1-CD 4.33Å; F234-K273 HydrophobicContact CD1-CG 4.26Å; F234-K273 HydrophobicContact CE1-CB 3.82Å; F234-K273 HydrophobicContact CE1-CD 3.89Å; F234-K273 HydrophobicContact CE1-CG 4.02Å; F234-K273 HydrophobicContact CE2-CB 4.35Å; F234-K273 HydrophobicContact CZ-CB 3.82Å; F234-V275 HydrophobicContact CD2-CG2 3.81Å; F234-V275 HydrophobicContact CE2-CG2 3.44Å; F234-V275 VanDerWaalsContact CE2-CG2 3.44Å; F234-V275 HydrophobicContact CZ-CG2 4.36Å; F234-F582 HydrophobicContact CE2-CE2 4.46Å; F234-F582 HydrophobicContact CE2-CZ 4.24Å; F234-F582 HydrophobicContact CZ-CE2 4.46Å; F234-F582 HydrophobicContact CZ-CZ 4.05Å
235	E	98.3	Very high	96	Very high	75 Å²	75	51.9 Å²	51.9	35%	0.35	29%	0.292	S	S	.	.	H	α-helix	trans	-60.7	-40.5	-179.7	-63.2	-57.2	151.7	0	0	112	L231 S233 W237 H238 E239 K273	L231-E235 WeakPolarHBondContact O-CG 3.32Å; L231-E235 PolarHBondContact O-N 3.22Å; S233-E235 PolarHBondContact O-N 3.26Å; E235-W237 PolarHBondContact O-N 3.12Å; E235-H238 PolarHBondContact O-N 3.42Å; E235-E239 WeakPolarHBondContact O-CB 3.45Å; E235-E239 PolarHBondContact O-N 2.94Å; E235-K273 WeakPolarHBondContact OE1-CE 3.33Å; E235-K273 IonicContact OE1-NZ 2.81Å; E235-K273 PolarHBondContact OE1-NZ 2.93Å
236	K	97.6	Very high	96.4	Very high	111 Å²	111	46.5 Å²	46.5	48%	0.483	27%	0.267	S	S	.	.	H	α-helix	trans	-61.3	-41.6	176.5	-73	171.5	180	178	0	112.8	T232 S233 F234 A240	T232-K236 WeakPolarHBondContact O-CG 3.48Å; T232-K236 PolarHBondContact O-N 2.75Å; S233-K236 PolarHBondContact O-N 2.65Å; F234-K236 VanDerWaalsContact C-N 3.32Å; F234-K236 PolarHBondContact O-N 2.89Å; K236-A240 VanDerWaalsContact O-CB 3.29Å; K236-A240 WeakPolarHBondContact O-CB 3.17Å; K236-A240 PolarHBondContact O-N 3.01Å
237	W	98.4	Very high	97	Very high	17 Å²	17	42.9 Å²	42.9	6%	0.064	24%	0.244	C	C	.	.	H	α-helix	trans	-71.6	-41.8	176.6	-99.8	-111.9	0	0	0	111.4	Q191 F203 D220 H221 V222 V223 S233 F234 E235 A240 A241 L251	Q191-W237 HydrophobicContact CB-CZ2 4.15Å; Q191-W237 HydrophobicContact CG-CZ2 4.42Å; F203-W237 AromaticContact CZ-CD1 3.93Å; D220-W237 PolarHBondContact OD1-NE1 2.95Å; H221-W237 PolarHBondContact O-NE1 3.13Å; V222-W237 HydrophobicContact CB-CD2 4.32Å; V222-W237 HydrophobicContact CB-CG 4.21Å; V222-W237 HydrophobicContact CG1-CB 4.44Å; V222-W237 HydrophobicContact CG1-CD2 3.99Å; V222-W237 HydrophobicContact CG1-CE3 4Å; V222-W237 HydrophobicContact CG1-CG 4.21Å; V222-W237 HydrophobicContact CG1-CZ3 4.49Å; V222-W237 HydrophobicContact CG2-CB 3.71Å; V222-W237 HydrophobicContact CG2-CD2 4.4Å; V222-W237 HydrophobicContact CG2-CG 3.79Å; V223-W237 HydrophobicContact CB-CZ2 4.34Å; V223-W237 VanDerWaalsContact O-CH2 3.28Å; V223-W237 WeakPolarHBondContact O-CH2 3.41Å; S233-W237 VanDerWaalsContact O-CE3 3.28Å; S233-W237 PolarHBondContact O-N 2.96Å; S233-W237 VanDerWaalsContact O-N 3.16Å; F234-W237 PolarHBondContact O-N 3.31Å; E235-W237 PolarHBondContact O-N 3.12Å; W237-A240 PolarHBondContact O-N 3.44Å; W237-A241 VanDerWaalsContact O-CB 3.24Å; W237-A241 WeakPolarHBondContact O-CB 3.33Å; W237-A241 PolarHBondContact O-N 2.89Å; W237-L251 HydrophobicContact CB-CD1 4.1Å; W237-L251 HydrophobicContact CB-CD2 4.36Å
238	H	98.2	Very high	97.6	Very high	44 Å²	44	39.1 Å²	39.1	20%	0.204	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-50	177.6	-173.5	-81.7	0	0	0	110.9	F234 E235 A240 A241 D242 Y249 L251 F582	F234-H238 HydrophobicContact CE1-CB 4.12Å; F234-H238 HydrophobicContact CZ-CB 4.32Å; F234-H238 AromaticContact CZ-CD2 3.91Å; F234-H238 WeakPolarHBondContact O-CB 3.46Å; F234-H238 PolarHBondContact O-N 3.29Å; E235-H238 PolarHBondContact O-N 3.42Å; H238-A240 PolarHBondContact O-N 2.97Å; H238-A241 PolarHBondContact O-N 2.99Å; H238-D242 VanDerWaalsContact O-CB 3.24Å; H238-D242 WeakPolarHBondContact O-CB 3.32Å; H238-D242 PolarHBondContact O-N 2.94Å; H238-Y249 PolarHBondContact O-OH 2.79Å; H238-L251 HydrophobicContact CB-CD1 4.12Å; H238-F582 AromaticContact CD2-CD1 3.96Å; H238-F582 AromaticContact CD2-CD2 3.82Å; H238-F582 AromaticContact CD2-CG 3.66Å; H238-F582 WeakPolarHBondContact NE2-CB 3.22Å; H238-F582 AromaticContact NE2-CD1 3.57Å; H238-F582 AromaticContact NE2-CG 3.42Å; H238-F582 WeakPolarHBondContact NE2-CG 3.24Å
239	E	97.8	Very high	97.9	Very high	136 Å²	136	37.1 Å²	37.1	64%	0.636	19%	0.191	S	C	*	.	H	α-helix	trans	-57.9	-45.7	175.1	-176.2	-176.9	-176.3	0	0	112.3	E235 A241 T243	E235-E239 WeakPolarHBondContact O-CB 3.45Å; E235-E239 PolarHBondContact O-N 2.94Å; E239-A241 VanDerWaalsContact C-N 3.34Å; E239-A241 PolarHBondContact O-N 3.15Å; E239-T243 WeakPolarHBondContact O-CB 3.38Å; E239-T243 WeakPolarHBondContact O-CG2 3.19Å; E239-T243 PolarHBondContact O-N 3.24Å; E239-T243 VanDerWaalsContact O-N 3.14Å; E239-T243 PolarHBondContact O-OG1 2.78Å
240	A	97.6	Very high	98.1	Very high	13 Å²	13	35.6 Å²	35.6	11%	0.107	18%	0.18	C	C	.	.	H	α-helix	trans	-66.6	-34.9	179.8	0	0	0	0	0	113	F203 K236 W237 H238 T243 K244	F203-A240 HydrophobicContact CD2-CB 4.23Å; K236-A240 VanDerWaalsContact O-CB 3.29Å; K236-A240 WeakPolarHBondContact O-CB 3.17Å; K236-A240 PolarHBondContact O-N 3.01Å; W237-A240 PolarHBondContact O-N 3.44Å; H238-A240 PolarHBondContact O-N 2.97Å; A240-T243 PolarHBondContact O-OG1 3.37Å; A240-K244 VanDerWaalsContact O-CB 3.23Å; A240-K244 WeakPolarHBondContact O-CB 3.44Å; A240-K244 WeakPolarHBondContact O-CD 3.42Å; A240-K244 VanDerWaalsContact O-CG 3.23Å; A240-K244 WeakPolarHBondContact O-CG 3.47Å
241	A	97.9	Very high	98.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-77.5	-44.3	177.4	0	0	0	0	0	112.1	F203 W237 H238 E239 T243 K244 S245 Y249	F203-A241 HydrophobicContact CD1-CB 3.65Å; F203-A241 HydrophobicContact CD2-CB 3.99Å; F203-A241 HydrophobicContact CE1-CB 3.66Å; F203-A241 HydrophobicContact CE2-CB 3.99Å; F203-A241 HydrophobicContact CG-CB 3.83Å; F203-A241 HydrophobicContact CZ-CB 3.84Å; W237-A241 VanDerWaalsContact O-CB 3.24Å; W237-A241 WeakPolarHBondContact O-CB 3.33Å; W237-A241 PolarHBondContact O-N 2.89Å; H238-A241 PolarHBondContact O-N 2.99Å; E239-A241 VanDerWaalsContact C-N 3.34Å; E239-A241 PolarHBondContact O-N 3.15Å; A241-T243 VanDerWaalsContact C-N 3.29Å; A241-T243 PolarHBondContact O-N 2.73Å; A241-K244 PolarHBondContact O-N 3.01Å; A241-K244 VanDerWaalsContact O-N 3.15Å; A241-S245 WeakPolarHBondContact O-CB 3.08Å; A241-S245 PolarHBondContact O-N 3.47Å; A241-Y249 HydrophobicContact CB-CD1 4.36Å; A241-Y249 HydrophobicContact CB-CD2 3.75Å; A241-Y249 HydrophobicContact CB-CE1 3.94Å; A241-Y249 HydrophobicContact CB-CE2 3.26Å; A241-Y249 HydrophobicContact CB-CG 4.28Å
242	D	97.8	Very high	98.2	Very high	76 Å²	76	33.4 Å²	33.4	41%	0.406	17%	0.169	S	C	.	.	H	α-helix	trans	-62	-36.9	-179.9	-151.8	59.9	0	0	0	111.8	H238 Y249 G578	H238-D242 VanDerWaalsContact O-CB 3.24Å; H238-D242 WeakPolarHBondContact O-CB 3.32Å; H238-D242 PolarHBondContact O-N 2.94Å; D242-Y249 WeakPolarHBondContact CB-OH 3.29Å; D242-Y249 PolarHBondContact N-OH 3.38Å; D242-G578 VanDerWaalsContact O-CA 3.23Å; D242-G578 WeakPolarHBondContact O-CA 3.49Å
243	T	97.6	Very high	98.3	Very high	84 Å²	84	29.7 Å²	29.7	52%	0.515	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.6	177.6	56.3	0	0	0	0	115	E239 A240 A241	E239-T243 WeakPolarHBondContact O-CB 3.38Å; E239-T243 WeakPolarHBondContact O-CG2 3.19Å; E239-T243 PolarHBondContact O-N 3.24Å; E239-T243 VanDerWaalsContact O-N 3.14Å; E239-T243 PolarHBondContact O-OG1 2.78Å; A240-T243 PolarHBondContact O-OG1 3.37Å; A241-T243 VanDerWaalsContact C-N 3.29Å; A241-T243 PolarHBondContact O-N 2.73Å
244	K	98.1	Very high	98.3	Very high	60 Å²	60	29.5 Å²	29.5	26%	0.261	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-32.4	-169.6	-66	-177.8	178.1	-170.6	0	115.5	D202 F203 F204 A240 A241	D202-K244 WeakPolarHBondContact OD2-CD 3.2Å; D202-K244 WeakPolarHBondContact OD2-CE 3.3Å; D202-K244 IonicContact OD2-NZ 2.75Å; D202-K244 PolarHBondContact OD2-NZ 3.01Å; F203-K244 HydrophobicContact CB-CB 3.75Å; F203-K244 HydrophobicContact CB-CD 4.26Å; F204-K244 WeakPolarHBondContact CA-O 3.2Å; F204-K244 HydrophobicContact CB-CB 4.11Å; A240-K244 VanDerWaalsContact O-CB 3.23Å; A240-K244 WeakPolarHBondContact O-CB 3.44Å; A240-K244 WeakPolarHBondContact O-CD 3.42Å; A240-K244 VanDerWaalsContact O-CG 3.23Å; A240-K244 WeakPolarHBondContact O-CG 3.47Å; A241-K244 PolarHBondContact O-N 3.01Å; A241-K244 VanDerWaalsContact O-N 3.15Å
245	S	98.2	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.			trans	-59.5	140.6	-171.6	-172.5	0	0	0	0	112.2	T207 A241 C247 G578 M579 G580	T207-S245 WeakPolarHBondContact CG2-OG 3.34Å; A241-S245 WeakPolarHBondContact O-CB 3.08Å; A241-S245 PolarHBondContact O-N 3.47Å; S245-C247 PolarHBondContact OG-N 3.27Å; S245-C247 PolarHBondContact OG-O 3.24Å; S245-G578 CarbonylContact O-C 3Å; S245-G578 WeakPolarHBondContact O-CA 3.15Å; S245-G578 PolarHBondContact O-N 3.33Å; S245-G578 VanDerWaalsContact O-N 3.08Å; S245-M579 PolarHBondContact O-N 3.05Å; S245-G580 PolarHBondContact O-N 3.3Å
246	C	98.3	Very high	98.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	13%	0.13	C	C	.	.	S	Bend	trans	-95.6	-15.8	173.9	-63.4	0	0	0	0	113	F204 T207 L211 V575	F204-C246 WeakPolarHBondContact CD2-SG 3.34Å; F204-C246 VanDerWaalsContact CE2-SG 3.58Å; T207-C246 WeakPolarHBondContact OG1-CB 3.35Å; T207-C246 PolarHBondContact OG1-N 3.49Å; L211-C246 HydrophobicContact CD1-CB 3.77Å; C246-V575 HydrophobicContact CB-CB 3.95Å; C246-V575 HydrophobicContact CB-CG1 4.19Å; C246-V575 HydrophobicContact CB-CG2 4.09Å; C246-V575 VanDerWaalsContact SG-CG2 3.53Å
247	C	98.4	Very high	97.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-132	166	-177.9	75.3	0	0	0	0	111.4	L211 T216 S245 G580	L211-C247 HydrophobicContact CD1-CB 4.1Å; L211-C247 HydrophobicContact CD2-CB 3.85Å; L211-C247 HydrophobicContact CG-CB 3.95Å; T216-C247 WeakPolarHBondContact O-CB 3.47Å; S245-C247 PolarHBondContact OG-N 3.27Å; S245-C247 PolarHBondContact OG-O 3.24Å; C247-G580 WeakPolarHBondContact O-CA 3.41Å
248	D	98.9	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	148.1	175.5	-79.2	-3.2	0	0	0	110.8	T216 M217 I218 K512 Q563 R581 I583	T216-D248 PolarHBondContact O-N 2.9Å; M217-D248 VanDerWaalsContact CA-O 3.25Å; M217-D248 WeakPolarHBondContact CA-O 3.4Å; M217-D248 WeakPolarHBondContact CG-O 3.44Å; I218-D248 PolarHBondContact N-O 3.16Å; D248-K512 IonicContact OD2-NZ 2.72Å; D248-K512 PolarHBondContact OD2-NZ 3.09Å; D248-Q563 PolarHBondContact OD1-NE2 3.03Å; D248-R581 WeakPolarHBondContact CA-O 3.43Å; D248-R581 WeakPolarHBondContact OD1-CB 3.11Å; D248-R581 IonicContact OD1-CZ 2.73Å; D248-R581 PolarHBondContact OD1-N 2.67Å; D248-R581 IonicContact OD1-NE 3.62Å; D248-R581 PolarHBondContact OD1-NE 3.04Å; D248-R581 IonicContact OD1-NH2 3.7Å; D248-R581 IonicContact OD2-CZ 3.8Å; D248-R581 IonicContact OD2-NE 2.76Å; D248-R581 IonicContact OD2-NH2 3.21Å; D248-R581 PolarHBondContact OD2-NH2 2.88Å; D248-I583 HydrophobicContact CB-CD1 4.04Å; D248-I583 HydrophobicContact CB-CG1 3.83Å; D248-I583 WeakPolarHBondContact OD2-CD1 3.35Å
249	Y	98.9	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	161.8	-177.6	74.9	-82.8	0	0	0	112.2	I218 H238 A241 D242 L251 R581 F582 I583	I218-Y249 CarbonylContact O-C 3.56Å; I218-Y249 VanDerWaalsContact O-CA 3.27Å; I218-Y249 WeakPolarHBondContact O-CA 3.41Å; H238-Y249 PolarHBondContact O-OH 2.79Å; A241-Y249 HydrophobicContact CB-CD1 4.36Å; A241-Y249 HydrophobicContact CB-CD2 3.75Å; A241-Y249 HydrophobicContact CB-CE1 3.94Å; A241-Y249 HydrophobicContact CB-CE2 3.26Å; A241-Y249 HydrophobicContact CB-CG 4.28Å; D242-Y249 WeakPolarHBondContact CB-OH 3.29Å; D242-Y249 PolarHBondContact N-OH 3.38Å; Y249-L251 HydrophobicContact CD2-CD2 4.42Å; Y249-L251 HydrophobicContact CD2-CG 4.36Å; Y249-L251 HydrophobicContact CE2-CD1 4.42Å; Y249-L251 HydrophobicContact CE2-CG 4.28Å; Y249-R581 PolarHBondContact N-O 3.09Å; Y249-F582 HydrophobicContact CD2-CD2 4.1Å; Y249-F582 HydrophobicContact CE1-CB 4.09Å; Y249-F582 HydrophobicContact CE2-CB 4.16Å; Y249-F582 AromaticContact CE2-CD2 3.64Å; Y249-F582 HydrophobicContact CE2-CD2 3.64Å; Y249-F582 HydrophobicContact CE2-CG 4.36Å; Y249-F582 CarbonylContact O-C 3.37Å; Y249-F582 WeakPolarHBondContact O-CA 3.35Å; Y249-I583 PolarHBondContact O-N 3.03Å
250	S	98.9	Very high	96.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	179.7	163.1	-159.4	0	0	0	0	109.5	I218 I219 D220 I583 R585	I218-S250 PolarHBondContact O-N 2.83Å; I219-S250 WeakPolarHBondContact CA-O 3.39Å; D220-S250 PolarHBondContact N-O 2.76Å; S250-I583 WeakPolarHBondContact CB-O 3.36Å; S250-I583 PolarHBondContact OG-O 3.39Å; S250-R585 PolarHBondContact OG-NE 3.44Å
251	L	98.9	Very high	96.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.3	-170.2	-68	176.4	0	0	0	112.3	F203 D220 V222 F234 W237 H238 Y249 F582 R585	F203-L251 HydrophobicContact CZ-CD2 4.5Å; D220-L251 HydrophobicContact CB-CD2 3.98Å; D220-L251 CarbonylContact O-C 3.56Å; D220-L251 WeakPolarHBondContact O-CA 3.34Å; V222-L251 HydrophobicContact CG2-CB 3.96Å; V222-L251 HydrophobicContact CG2-CD1 4.01Å; V222-L251 HydrophobicContact CG2-CD2 4.07Å; V222-L251 HydrophobicContact CG2-CG 4.23Å; F234-L251 HydrophobicContact CD2-CB 4.41Å; F234-L251 HydrophobicContact CD2-CD1 3.97Å; F234-L251 HydrophobicContact CE2-CB 4.12Å; F234-L251 HydrophobicContact CE2-CD1 3.7Å; F234-L251 HydrophobicContact CZ-CD1 4.35Å; W237-L251 HydrophobicContact CB-CD1 4.1Å; W237-L251 HydrophobicContact CB-CD2 4.36Å; H238-L251 HydrophobicContact CB-CD1 4.12Å; Y249-L251 HydrophobicContact CD2-CD2 4.42Å; Y249-L251 HydrophobicContact CD2-CG 4.36Å; Y249-L251 HydrophobicContact CE2-CD1 4.42Å; Y249-L251 HydrophobicContact CE2-CG 4.28Å; L251-F582 HydrophobicContact CB-CE2 4.33Å; L251-F582 HydrophobicContact CD1-CE2 4.4Å; L251-F582 HydrophobicContact CG-CE2 4.22Å; L251-R585 VanDerWaalsContact C-NH2 3.28Å; L251-R585 PolarHBondContact O-NH2 3.46Å
252	H	98.8	Very high	96.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	148.6	158.4	-63.6	-58.1	0	0	0	108.9	V186 I219 D220 H221 V222 S277 F506	V186-H252 PolarHBondContact O-CD2 2.65Å; V186-H252 PolarHBondContact O-NE2 2.92Å; I219-H252 VanDerWaalsContact CG2-CD2 3.41Å; I219-H252 WeakPolarHBondContact CG2-CD2 3.35Å; I219-H252 VanDerWaalsContact CG2-NE2 3.27Å; I219-H252 WeakPolarHBondContact CG2-NE2 3.24Å; D220-H252 PolarHBondContact O-N 2.83Å; H221-H252 AromaticContact CE1-CD2 4Å; H221-H252 AromaticContact NE2-CD2 3.76Å; V222-H252 WeakPolarHBondContact CB-O 3.25Å; V222-H252 WeakPolarHBondContact CG2-O 3.47Å; V222-H252 PolarHBondContact N-O 3Å; H252-S277 PolarHBondContact CE1-OG 3.16Å; H252-S277 WeakPolarHBondContact ND1-CB 3.29Å; H252-S277 PolarHBondContact ND1-OG 2.9Å; H252-F506 AromaticContact CE1-CD1 3.99Å; H252-F506 AromaticContact CE1-CE1 3.52Å; H252-F506 AromaticContact CE1-CZ 3.66Å
253	V	98.8	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.5	172.2	177.6	0	0	0	0	110.3	V222 L230 F234 L269 V275 S277 F278 Q279	V222-V253 HydrophobicContact CB-CG2 4.1Å; V222-V253 HydrophobicContact CG2-CG2 4.1Å; L230-V253 HydrophobicContact CB-CG1 4.2Å; L230-V253 HydrophobicContact CD1-CG1 4.45Å; L230-V253 HydrophobicContact CD2-CG1 4.41Å; F234-V253 HydrophobicContact CD2-CG2 4.1Å; V253-L269 HydrophobicContact CB-CD1 4.36Å; V253-L269 HydrophobicContact CG1-CD1 3.97Å; V253-L269 HydrophobicContact CG2-CD1 4.26Å; V253-L269 HydrophobicContact CG2-CD2 4.26Å; V253-V275 HydrophobicContact CB-CG1 4.41Å; V253-V275 HydrophobicContact CG2-CG1 3.99Å; V253-V275 HydrophobicContact CG2-CG2 4.24Å; V253-S277 PolarHBondContact N-O 3.06Å; V253-F278 HydrophobicContact CB-CD1 3.85Å; V253-F278 HydrophobicContact CB-CE1 4Å; V253-F278 HydrophobicContact CG1-CD1 4.39Å; V253-F278 WeakPolarHBondContact O-CA 3.15Å; V253-F278 WeakPolarHBondContact O-CB 3.38Å; V253-F278 WeakPolarHBondContact O-CD1 3.48Å; V253-Q279 PolarHBondContact O-N 3.22Å; V253-Q279 VanDerWaalsContact O-N 3.13Å
254	D	98.4	Very high	96.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.7	-177.7	-73.7	29.3	0	0	0	110.7	H221 V222 P224 T256 Q279 Y281	H221-D254 IonicContact CE1-OD1 3.61Å; H221-D254 IonicContact CG-OD1 3.54Å; H221-D254 IonicContact ND1-OD1 2.63Å; H221-D254 PolarHBondContact ND1-OD1 2.58Å; H221-D254 IonicContact ND1-OD2 3.72Å; V222-D254 VanDerWaalsContact O-CB 3.28Å; V222-D254 WeakPolarHBondContact O-CB 3.18Å; V222-D254 PolarHBondContact O-N 2.82Å; P224-D254 VanDerWaalsContact CD-O 3.28Å; P224-D254 WeakPolarHBondContact CD-O 3.18Å; P224-D254 WeakPolarHBondContact CG-O 3.48Å; D254-T256 PolarHBondContact O-N 2.97Å; D254-Q279 WeakPolarHBondContact OD1-CB 3.46Å; D254-Q279 PolarHBondContact OD2-NE2 2.86Å; D254-Y281 HydrophobicContact CB-CE2 4.06Å; D254-Y281 WeakPolarHBondContact OD2-CE2 3.43Å; D254-Y281 VanDerWaalsContact OD2-CZ 3.27Å; D254-Y281 PolarHBondContact OD2-OH 3.47Å
255	I	97.7	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.			trans	-93.7	94	179.1	-52.4	175.3	0	0	0	107.5	S257 W258 L266 F278 Q279 V280 M290 L302	I255-S257 VanDerWaalsContact CG2-O 3.26Å; I255-S257 WeakPolarHBondContact CG2-O 3.41Å; I255-W258 HydrophobicContact CG2-CE3 4.27Å; I255-L266 HydrophobicContact CD1-CD1 4.05Å; I255-L266 HydrophobicContact CD1-CD2 3.87Å; I255-L266 HydrophobicContact CG1-CD2 4.17Å; I255-F278 HydrophobicContact CD1-CB 3.88Å; I255-F278 HydrophobicContact CD1-CG 4.36Å; I255-F278 HydrophobicContact CG1-CB 4.19Å; I255-F278 HydrophobicContact CG1-CD1 4.49Å; I255-Q279 PolarHBondContact N-O 3.07Å; I255-V280 HydrophobicContact CB-CG1 4.42Å; I255-V280 HydrophobicContact CD1-CG1 4.36Å; I255-M290 HydrophobicContact CB-CE 3.83Å; I255-M290 HydrophobicContact CG2-CE 3.48Å; I255-M290 VanDerWaalsContact CG2-CE 3.48Å; I255-M290 VanDerWaalsContact O-CE 3.24Å; I255-M290 WeakPolarHBondContact O-CE 3.43Å; I255-L302 HydrophobicContact CD1-CD1 3.91Å; I255-L302 HydrophobicContact CD1-CD2 4.28Å
256	T	94.6	Very high	96.3	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.043	13%	0.131	C	C	.	.			trans	-83.1	-10.4	-176.6	51.5	0	0	0	0	113.9	P224 D254 Y288	P224-T256 WeakPolarHBondContact O-CG2 3.46Å; P224-T256 PolarHBondContact O-OG1 3.26Å; D254-T256 PolarHBondContact O-N 2.97Å; T256-Y288 HydrophobicContact CG2-CD1 3.38Å; T256-Y288 HydrophobicContact CG2-CE1 3.52Å; T256-Y288 HydrophobicContact CG2-CG 4.18Å
257	S	93.9	Very high	96.3	Very high	49 Å²	49	29.1 Å²	29.1	34%	0.343	15%	0.147	S	C	.	.			trans	-153.4	150.4	168.9	62.6	0	0	0	0	111	I255	I255-S257 VanDerWaalsContact CG2-O 3.26Å; I255-S257 WeakPolarHBondContact CG2-O 3.41Å
258	W	94.6	Very high	96.3	Very high	16 Å²	16	31.3 Å²	31.3	6%	0.061	16%	0.161	C	C	.	.			trans	-118.1	117.2	178.7	-175.4	-98.2	0	0	0	111.2	I255 V262 R263 L266 M290 Q294 E297 A298 F301	I255-W258 HydrophobicContact CG2-CE3 4.27Å; W258-V262 HydrophobicContact CD2-CG1 4.25Å; W258-V262 HydrophobicContact CE3-CG1 3.61Å; W258-V262 HydrophobicContact CH2-CG1 4.26Å; W258-V262 HydrophobicContact CZ3-CG1 3.62Å; W258-R263 HydrophobicContact CH2-CG 4.17Å; W258-R263 HydrophobicContact CZ2-CG 4.45Å; W258-L266 HydrophobicContact CH2-CD1 4.4Å; W258-L266 HydrophobicContact CZ3-CD1 3.78Å; W258-M290 HydrophobicContact CB-CE 4.14Å; W258-M290 HydrophobicContact CB-SD 4.28Å; W258-Q294 HydrophobicContact CB-CB 4.14Å; W258-Q294 HydrophobicContact CB-CG 4.26Å; W258-Q294 HydrophobicContact CG-CB 4.25Å; W258-Q294 HydrophobicContact CG-CG 4.45Å; W258-Q294 PolarHBondContact O-NE2 2.92Å; W258-E297 HydrophobicContact CZ2-CB 4.1Å; W258-E297 PolarHBondContact NE1-OE2 3.19Å; W258-A298 HydrophobicContact CD2-CB 3.9Å; W258-A298 HydrophobicContact CE3-CB 3.67Å; W258-A298 HydrophobicContact CH2-CB 4.13Å; W258-A298 HydrophobicContact CZ2-CB 4.29Å; W258-A298 HydrophobicContact CZ3-CB 3.8Å; W258-F301 HydrophobicContact CH2-CB 3.79Å; W258-F301 AromaticContact CH2-CD1 3.85Å; W258-F301 HydrophobicContact CH2-CD1 3.85Å; W258-F301 HydrophobicContact CH2-CG 4.01Å; W258-F301 HydrophobicContact CZ2-CB 4.22Å
259	Y	92.2	Very high	96.3	Very high	104 Å²	104	31.3 Å²	31.3	41%	0.408	16%	0.161	S	C	.	.			trans	-150.5	160.5	178.2	61.3	-85.3	0	0	0	109	G261 V262	Y259-G261 VanDerWaalsContact C-N 3.34Å; Y259-G261 VanDerWaalsContact CE2-C 3.4Å; Y259-G261 PolarHBondContact O-N 3.26Å; Y259-V262 HydrophobicContact CD1-CB 4.33Å; Y259-V262 HydrophobicContact CE1-CB 4.04Å; Y259-V262 HydrophobicContact CE1-CG2 4.28Å; Y259-V262 HydrophobicContact CE2-CB 4.31Å; Y259-V262 WeakPolarHBondContact O-CB 3.48Å; Y259-V262 WeakPolarHBondContact O-CG1 3.13Å; Y259-V262 PolarHBondContact O-N 3.2Å; Y259-V262 VanDerWaalsContact O-N 3.09Å
260	D	87.3	Confident	96.2	Very high	109 Å²	109	32.2 Å²	32.2	58%	0.583	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-54.8	-44.8	-171.1	-76.8	-49.6	0	0	0	113.8	V262 R263	D260-V262 PolarHBondContact O-N 2.94Å; D260-V262 VanDerWaalsContact O-N 3.11Å; D260-R263 WeakPolarHBondContact O-CB 3.24Å; D260-R263 VanDerWaalsContact O-CG 3.31Å; D260-R263 WeakPolarHBondContact O-CG 3.49Å; D260-R263 PolarHBondContact O-N 3.39Å; D260-R263 IonicContact OD1-CZ 3.9Å; D260-R263 IonicContact OD1-NH1 3.79Å; D260-R263 PolarHBondContact OD1-NH1 3.18Å; D260-R263 IonicContact OD1-NH2 2.6Å; D260-R263 PolarHBondContact OD1-NH2 2.92Å
261	G	89.1	Confident	96.2	Very high	35 Å²	35	38.6 Å²	38.6	36%	0.361	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-70.3	1.9	-179	0	0	0	0	0	116.4	Y259 R263 E264	Y259-G261 VanDerWaalsContact C-N 3.34Å; Y259-G261 VanDerWaalsContact CE2-C 3.4Å; Y259-G261 PolarHBondContact O-N 3.26Å; G261-R263 VanDerWaalsContact C-N 3.29Å; G261-E264 VanDerWaalsContact CA-OE2 3.3Å; G261-E264 WeakPolarHBondContact CA-OE2 3.28Å
262	V	95.3	Very high	96.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-79.3	-18.7	170.7	86.2	0	0	0	0	111.3	L230 W258 Y259 D260 E265 L266	L230-V262 HydrophobicContact CD1-CG2 3.55Å; L230-V262 HydrophobicContact CG-CG2 4.02Å; W258-V262 HydrophobicContact CD2-CG1 4.25Å; W258-V262 HydrophobicContact CE3-CG1 3.61Å; W258-V262 HydrophobicContact CH2-CG1 4.26Å; W258-V262 HydrophobicContact CZ3-CG1 3.62Å; Y259-V262 HydrophobicContact CD1-CB 4.33Å; Y259-V262 HydrophobicContact CE1-CB 4.04Å; Y259-V262 HydrophobicContact CE1-CG2 4.28Å; Y259-V262 HydrophobicContact CE2-CB 4.31Å; Y259-V262 WeakPolarHBondContact O-CB 3.48Å; Y259-V262 WeakPolarHBondContact O-CG1 3.13Å; Y259-V262 PolarHBondContact O-N 3.2Å; Y259-V262 VanDerWaalsContact O-N 3.09Å; D260-V262 PolarHBondContact O-N 2.94Å; D260-V262 VanDerWaalsContact O-N 3.11Å; V262-E265 PolarHBondContact O-N 2.9Å; V262-L266 HydrophobicContact CG1-CD1 4.08Å; V262-L266 VanDerWaalsContact O-CG 3.3Å; V262-L266 WeakPolarHBondContact O-CG 3.35Å; V262-L266 PolarHBondContact O-N 3.46Å; V262-L266 VanDerWaalsContact O-N 3.1Å
263	R	96.4	Very high	96.1	Very high	70 Å²	70	47.2 Å²	47.2	26%	0.264	24%	0.239	S	C	.	.	H	α-helix	trans	-68.5	-41.3	-172	-70.2	-178.8	-172.6	144.7	9.8	112.3	W258 D260 G261 L266 E267 E297 F301	W258-R263 HydrophobicContact CH2-CG 4.17Å; W258-R263 HydrophobicContact CZ2-CG 4.45Å; D260-R263 WeakPolarHBondContact O-CB 3.24Å; D260-R263 VanDerWaalsContact O-CG 3.31Å; D260-R263 WeakPolarHBondContact O-CG 3.49Å; D260-R263 PolarHBondContact O-N 3.39Å; D260-R263 IonicContact OD1-CZ 3.9Å; D260-R263 IonicContact OD1-NH1 3.79Å; D260-R263 PolarHBondContact OD1-NH1 3.18Å; D260-R263 IonicContact OD1-NH2 2.6Å; D260-R263 PolarHBondContact OD1-NH2 2.92Å; G261-R263 VanDerWaalsContact C-N 3.29Å; R263-L266 PolarHBondContact O-N 3.13Å; R263-E267 PolarHBondContact O-N 3.08Å; R263-E297 IonicContact NH2-OE2 2.76Å; R263-F301 HydrophobicContact CB-CE1 3.8Å; R263-F301 HydrophobicContact CB-CE2 3.9Å; R263-F301 HydrophobicContact CB-CZ 3.45Å; R263-F301 VanDerWaalsContact CB-CZ 3.45Å; R263-F301 HydrophobicContact CG-CD1 4.09Å; R263-F301 HydrophobicContact CG-CD2 4.13Å; R263-F301 HydrophobicContact CG-CE1 3.85Å; R263-F301 HydrophobicContact CG-CE2 3.91Å; R263-F301 HydrophobicContact CG-CG 4.22Å; R263-F301 HydrophobicContact CG-CZ 3.77Å
264	E	96.7	Very high	96	Very high	116 Å²	116	47.7 Å²	47.7	54%	0.542	24%	0.244	S	C	.	.	H	α-helix	trans	-64.6	-40	176.2	-62.4	83.7	171.6	0	0	111.5	G261 E267 V268	G261-E264 VanDerWaalsContact CA-OE2 3.3Å; G261-E264 WeakPolarHBondContact CA-OE2 3.28Å; E264-E267 PolarHBondContact O-N 3.28Å; E264-V268 WeakPolarHBondContact O-CG2 3.21Å; E264-V268 PolarHBondContact O-N 3.23Å; E264-V268 VanDerWaalsContact O-N 3.1Å
265	E	97.8	Very high	96	Very high	27 Å²	27	47.7 Å²	47.7	13%	0.126	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-41.2	175.8	-65	-159.1	-123.3	0	0	111.8	S229 L230 L231 V262 V268 L269	S229-E265 WeakPolarHBondContact CB-OE2 3.48Å; S229-E265 PolarHBondContact OG-OE2 3.33Å; L230-E265 HydrophobicContact CB-CB 4.31Å; L230-E265 PolarHBondContact N-OE2 2.79Å; L231-E265 HydrophobicContact CD1-CB 4.19Å; L231-E265 HydrophobicContact CD1-CG 3.98Å; L231-E265 HydrophobicContact CG-CB 4.08Å; L231-E265 HydrophobicContact CG-CG 4.2Å; L231-E265 PolarHBondContact N-OE2 2.89Å; V262-E265 PolarHBondContact O-N 2.9Å; E265-V268 PolarHBondContact O-N 2.93Å; E265-L269 WeakPolarHBondContact O-CB 3.23Å; E265-L269 VanDerWaalsContact O-CG 3.25Å; E265-L269 WeakPolarHBondContact O-CG 3.43Å; E265-L269 PolarHBondContact O-N 2.9Å
266	L	98.4	Very high	96	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-37.9	175.4	-69.1	170	0	0	0	112.4	L230 I255 W258 V262 R263 L269 V270 F278 F301 L302 L305	L230-L266 HydrophobicContact CD1-CD2 3.7Å; L230-L266 HydrophobicContact CD1-CG 4.03Å; I255-L266 HydrophobicContact CD1-CD1 4.05Å; I255-L266 HydrophobicContact CD1-CD2 3.87Å; I255-L266 HydrophobicContact CG1-CD2 4.17Å; W258-L266 HydrophobicContact CH2-CD1 4.4Å; W258-L266 HydrophobicContact CZ3-CD1 3.78Å; V262-L266 HydrophobicContact CG1-CD1 4.08Å; V262-L266 VanDerWaalsContact O-CG 3.3Å; V262-L266 WeakPolarHBondContact O-CG 3.35Å; V262-L266 PolarHBondContact O-N 3.46Å; V262-L266 VanDerWaalsContact O-N 3.1Å; R263-L266 PolarHBondContact O-N 3.13Å; L266-L269 PolarHBondContact O-N 3.18Å; L266-V270 WeakPolarHBondContact O-CG2 3.32Å; L266-V270 PolarHBondContact O-N 3.28Å; L266-F278 HydrophobicContact CD2-CD1 3.41Å; L266-F278 VanDerWaalsContact CD2-CD1 3.41Å; L266-F278 HydrophobicContact CD2-CE1 3.34Å; L266-F278 HydrophobicContact CD2-CE2 4.49Å; L266-F278 HydrophobicContact CD2-CG 4.06Å; L266-F278 HydrophobicContact CD2-CZ 3.92Å; L266-F301 HydrophobicContact CB-CE1 4Å; L266-F301 HydrophobicContact CD1-CD1 4.09Å; L266-F301 HydrophobicContact CD1-CE1 4.02Å; L266-L302 HydrophobicContact CD1-CD2 4.14Å; L266-L302 HydrophobicContact CD2-CD2 4.32Å; L266-L305 HydrophobicContact CB-CD1 3.98Å
267	E	98.1	Very high	96.2	Very high	77 Å²	77	47.4 Å²	47.4	36%	0.36	24%	0.242	S	C	.	.	H	α-helix	trans	-62.2	-47	174.7	-81.3	176.7	-173.7	0	0	112	R263 E264 V270 Q271 F301 L305	R263-E267 PolarHBondContact O-N 3.08Å; E264-E267 PolarHBondContact O-N 3.28Å; E267-V270 PolarHBondContact O-N 3.06Å; E267-Q271 WeakPolarHBondContact O-CB 3.5Å; E267-Q271 VanDerWaalsContact O-CG 3.29Å; E267-Q271 WeakPolarHBondContact O-CG 3.46Å; E267-Q271 PolarHBondContact O-N 3.48Å; E267-F301 HydrophobicContact CG-CZ 4.08Å; E267-L305 HydrophobicContact CG-CD1 4.29Å; E267-L305 HydrophobicContact CG-CD2 3.66Å
268	V	98.3	Very high	96.5	Very high	47 Å²	47	45 Å²	45	29%	0.285	23%	0.226	S	C	.	.	H	α-helix	trans	-63.4	-41.1	176.2	174.2	0	0	0	0	111.3	L231 E264 E265 V270 Q271 D272 K273	L231-V268 HydrophobicContact CD1-CB 4.22Å; L231-V268 HydrophobicContact CD1-CG1 4.12Å; L231-V268 HydrophobicContact CD2-CB 3.99Å; L231-V268 HydrophobicContact CD2-CG1 3.59Å; E264-V268 WeakPolarHBondContact O-CG2 3.21Å; E264-V268 PolarHBondContact O-N 3.23Å; E264-V268 VanDerWaalsContact O-N 3.1Å; E265-V268 PolarHBondContact O-N 2.93Å; V268-V270 VanDerWaalsContact C-N 3.29Å; V268-V270 PolarHBondContact O-N 2.86Å; V268-Q271 PolarHBondContact O-N 3.17Å; V268-D272 HydrophobicContact CG1-CB 4.28Å; V268-D272 WeakPolarHBondContact O-CB 3.48Å; V268-D272 PolarHBondContact O-N 2.88Å; V268-K273 PolarHBondContact O-N 3.16Å
269	L	98.6	Very high	96.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-39.5	176.4	-76.4	167.7	0	0	0	112.3	L230 L231 F234 V253 E265 L266 K273 G274 V275 F278	L230-L269 HydrophobicContact CB-CD1 3.85Å; L230-L269 HydrophobicContact CD1-CD1 4.32Å; L231-L269 HydrophobicContact CD2-CD2 3.86Å; L231-L269 HydrophobicContact CD2-CG 3.74Å; F234-L269 HydrophobicContact CB-CD2 3.75Å; F234-L269 HydrophobicContact CD1-CD2 4.28Å; F234-L269 HydrophobicContact CD2-CD2 3.87Å; F234-L269 HydrophobicContact CG-CD2 3.68Å; V253-L269 HydrophobicContact CB-CD1 4.36Å; V253-L269 HydrophobicContact CG1-CD1 3.97Å; V253-L269 HydrophobicContact CG2-CD1 4.26Å; V253-L269 HydrophobicContact CG2-CD2 4.26Å; E265-L269 WeakPolarHBondContact O-CB 3.23Å; E265-L269 VanDerWaalsContact O-CG 3.25Å; E265-L269 WeakPolarHBondContact O-CG 3.43Å; E265-L269 PolarHBondContact O-N 2.9Å; L266-L269 PolarHBondContact O-N 3.18Å; L269-K273 HydrophobicContact CD2-CB 4.22Å; L269-K273 HydrophobicContact CD2-CG 4.21Å; L269-K273 CarbonylContact O-C 3.59Å; L269-G274 PolarHBondContact O-N 3.22Å; L269-V275 HydrophobicContact CB-CB 4.29Å; L269-V275 HydrophobicContact CD2-CG2 4.3Å; L269-V275 PolarHBondContact O-N 2.82Å; L269-F278 HydrophobicContact CB-CE1 4.12Å; L269-F278 HydrophobicContact CB-CZ 4.08Å; L269-F278 HydrophobicContact CD1-CE1 3.98Å
270	V	98.4	Very high	97	Very high	18 Å²	18	39.3 Å²	39.3	11%	0.109	20%	0.204	C	C	.	.	H	α-helix	trans	-75.1	-46.9	178.1	172.4	0	0	0	0	112.7	L266 E267 V268 V275 F278 L305 A587	L266-V270 WeakPolarHBondContact O-CG2 3.32Å; L266-V270 PolarHBondContact O-N 3.28Å; E267-V270 PolarHBondContact O-N 3.06Å; V268-V270 VanDerWaalsContact C-N 3.29Å; V268-V270 PolarHBondContact O-N 2.86Å; V270-V275 WeakPolarHBondContact CA-O 3.37Å; V270-V275 WeakPolarHBondContact CG2-O 3.35Å; V270-F278 HydrophobicContact CG2-CE2 3.66Å; V270-F278 HydrophobicContact CG2-CZ 3.73Å; V270-L305 HydrophobicContact CG2-CB 4.18Å; V270-L305 HydrophobicContact CG2-CD1 4.02Å; V270-A587 HydrophobicContact CG1-CB 3.7Å
271	Q	96.9	Very high	97.5	Very high	134 Å²	134	34.3 Å²	34.3	63%	0.626	18%	0.177	S	C	*	.	H	α-helix	trans	-80.1	-45.4	-170.8	-65.9	177.7	47	0	0	112.2	E267 V268	E267-Q271 WeakPolarHBondContact O-CB 3.5Å; E267-Q271 VanDerWaalsContact O-CG 3.29Å; E267-Q271 WeakPolarHBondContact O-CG 3.46Å; E267-Q271 PolarHBondContact O-N 3.48Å; V268-Q271 PolarHBondContact O-N 3.17Å
272	D	97.7	Very high	98	Very high	117 Å²	117	32.7 Å²	32.7	63%	0.626	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-30.1	-168.2	-58.6	-31.2	0	0	0	113.1	V268	V268-D272 HydrophobicContact CG1-CB 4.28Å; V268-D272 WeakPolarHBondContact O-CB 3.48Å; V268-D272 PolarHBondContact O-N 2.88Å
273	K	98.1	Very high	98.1	Very high	64 Å²	64	32.6 Å²	32.6	28%	0.278	16%	0.159	S	C	.	.	S	Bend	trans	-100.3	-6.3	-175.8	-50.7	-61.9	178.7	165.4	0	114.4	L231 F234 E235 V268 L269 V275 F582	L231-K273 HydrophobicContact CD2-CG 4.47Å; F234-K273 HydrophobicContact CD1-CB 4.36Å; F234-K273 HydrophobicContact CD1-CD 4.33Å; F234-K273 HydrophobicContact CD1-CG 4.26Å; F234-K273 HydrophobicContact CE1-CB 3.82Å; F234-K273 HydrophobicContact CE1-CD 3.89Å; F234-K273 HydrophobicContact CE1-CG 4.02Å; F234-K273 HydrophobicContact CE2-CB 4.35Å; F234-K273 HydrophobicContact CZ-CB 3.82Å; E235-K273 WeakPolarHBondContact OE1-CE 3.33Å; E235-K273 IonicContact OE1-NZ 2.81Å; E235-K273 PolarHBondContact OE1-NZ 2.93Å; V268-K273 PolarHBondContact O-N 3.16Å; L269-K273 HydrophobicContact CD2-CB 4.22Å; L269-K273 HydrophobicContact CD2-CG 4.21Å; L269-K273 CarbonylContact O-C 3.59Å; K273-V275 VanDerWaalsContact C-N 3.34Å; K273-V275 PolarHBondContact O-N 2.92Å; K273-F582 WeakPolarHBondContact O-CE1 3.49Å; K273-F582 WeakPolarHBondContact O-CZ 3.25Å
274	G	97.5	Very high	98.1	Very high	11 Å²	11	31.5 Å²	31.5	11%	0.113	16%	0.155	C	C	.	.			trans	66	32.5	177.2	0	0	0	0	0	114.1	L269 R585	L269-G274 PolarHBondContact O-N 3.22Å; G274-R585 CarbonylContact C-O 3.14Å; G274-R585 PolarHBondContact O-N 2.9Å
275	V	98.6	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.			trans	-96.3	114.4	171.2	176.4	0	0	0	0	108.6	F234 V253 L269 V270 K273 F278	F234-V275 HydrophobicContact CD2-CG2 3.81Å; F234-V275 HydrophobicContact CE2-CG2 3.44Å; F234-V275 VanDerWaalsContact CE2-CG2 3.44Å; F234-V275 HydrophobicContact CZ-CG2 4.36Å; V253-V275 HydrophobicContact CB-CG1 4.41Å; V253-V275 HydrophobicContact CG2-CG1 3.99Å; V253-V275 HydrophobicContact CG2-CG2 4.24Å; L269-V275 HydrophobicContact CB-CB 4.29Å; L269-V275 HydrophobicContact CD2-CG2 4.3Å; L269-V275 PolarHBondContact O-N 2.82Å; V270-V275 WeakPolarHBondContact CA-O 3.37Å; V270-V275 WeakPolarHBondContact CG2-O 3.35Å; K273-V275 VanDerWaalsContact C-N 3.34Å; K273-V275 PolarHBondContact O-N 2.92Å; V275-F278 HydrophobicContact CB-CZ 4.39Å; V275-F278 HydrophobicContact CG1-CD1 4.46Å; V275-F278 HydrophobicContact CG1-CE1 3.81Å; V275-F278 HydrophobicContact CG1-CE2 4.41Å; V275-F278 HydrophobicContact CG1-CZ 3.78Å
276	N	98.1	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.			trans	-106.2	16.9	179	71.9	-7.1	0	0	0	113.9	A307 V308 F506 R585 K586	N276-A307 CarbonylContact O-C 3.55Å; N276-A307 VanDerWaalsContact O-CA 3.25Å; N276-A307 WeakPolarHBondContact O-CA 3.09Å; N276-V308 PolarHBondContact O-N 2.89Å; N276-F506 PolarHBondContact ND2-O 2.82Å; N276-R585 HydrophobicContact CB-CB 4.27Å; N276-R585 WeakPolarHBondContact ND2-CB 3.29Å; N276-R585 PolarHBondContact OD1-NH1 3.32Å; N276-K586 WeakPolarHBondContact CB-O 3.42Å; N276-K586 PolarHBondContact ND2-O 2.67Å
277	S	98.8	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	132.3	-167.5	60.3	0	0	0	0	112.9	H252 V253 V308 R585	H252-S277 PolarHBondContact CE1-OG 3.16Å; H252-S277 WeakPolarHBondContact ND1-CB 3.29Å; H252-S277 PolarHBondContact ND1-OG 2.9Å; V253-S277 PolarHBondContact N-O 3.06Å; S277-V308 VanDerWaalsContact CA-O 3.26Å; S277-V308 WeakPolarHBondContact CA-O 3.27Å; S277-R585 VanDerWaalsContact OG-CZ 3.31Å; S277-R585 PolarHBondContact OG-NH1 3.07Å; S277-R585 PolarHBondContact OG-NH2 3.42Å
278	F	98.8	Very high	97.5	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	-136.7	138.5	-171.4	-57.5	-87.6	0	0	0	111.4	V253 I255 L266 L269 V270 V275 L302 A307 V308 L310	V253-F278 HydrophobicContact CB-CD1 3.85Å; V253-F278 HydrophobicContact CB-CE1 4Å; V253-F278 HydrophobicContact CG1-CD1 4.39Å; V253-F278 WeakPolarHBondContact O-CA 3.15Å; V253-F278 WeakPolarHBondContact O-CB 3.38Å; V253-F278 WeakPolarHBondContact O-CD1 3.48Å; I255-F278 HydrophobicContact CD1-CB 3.88Å; I255-F278 HydrophobicContact CD1-CG 4.36Å; I255-F278 HydrophobicContact CG1-CB 4.19Å; I255-F278 HydrophobicContact CG1-CD1 4.49Å; L266-F278 HydrophobicContact CD2-CD1 3.41Å; L266-F278 VanDerWaalsContact CD2-CD1 3.41Å; L266-F278 HydrophobicContact CD2-CE1 3.34Å; L266-F278 HydrophobicContact CD2-CE2 4.49Å; L266-F278 HydrophobicContact CD2-CG 4.06Å; L266-F278 HydrophobicContact CD2-CZ 3.92Å; L269-F278 HydrophobicContact CB-CE1 4.12Å; L269-F278 HydrophobicContact CB-CZ 4.08Å; L269-F278 HydrophobicContact CD1-CE1 3.98Å; V270-F278 HydrophobicContact CG2-CE2 3.66Å; V270-F278 HydrophobicContact CG2-CZ 3.73Å; V275-F278 HydrophobicContact CB-CZ 4.39Å; V275-F278 HydrophobicContact CG1-CD1 4.46Å; V275-F278 HydrophobicContact CG1-CE1 3.81Å; V275-F278 HydrophobicContact CG1-CE2 4.41Å; V275-F278 HydrophobicContact CG1-CZ 3.78Å; F278-L302 HydrophobicContact CB-CD1 4.16Å; F278-L302 HydrophobicContact CB-CD2 4.26Å; F278-L302 HydrophobicContact CD2-CD2 3.53Å; F278-L302 HydrophobicContact CE2-CD2 4.07Å; F278-L302 HydrophobicContact CG-CD2 3.95Å; F278-A307 HydrophobicContact CD2-CB 3.75Å; F278-A307 HydrophobicContact CE2-CB 3.82Å; F278-V308 PolarHBondContact N-O 2.76Å; F278-L310 PolarHBondContact O-N 2.83Å
279	Q	98.7	Very high	97.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.8	176.4	-177.4	160.7	-107.5	0	0	111.6	Y189 H221 V253 D254 I255 Y281 L310 T367	Y189-Q279 PolarHBondContact OH-NE2 3.36Å; H221-Q279 PolarHBondContact CE1-NE2 2.88Å; H221-Q279 VanDerWaalsContact CE1-NE2 3.28Å; H221-Q279 PolarHBondContact ND1-NE2 2.9Å; V253-Q279 PolarHBondContact O-N 3.22Å; V253-Q279 VanDerWaalsContact O-N 3.13Å; D254-Q279 WeakPolarHBondContact OD1-CB 3.46Å; D254-Q279 PolarHBondContact OD2-NE2 2.86Å; I255-Q279 PolarHBondContact N-O 3.07Å; Q279-Y281 HydrophobicContact CG-CE2 4.23Å; Q279-Y281 PolarHBondContact NE2-OH 3.26Å; Q279-L310 WeakPolarHBondContact CA-O 3.12Å; Q279-L310 HydrophobicContact CB-CB 3.92Å; Q279-L310 HydrophobicContact CG-CB 4.24Å; Q279-T367 PolarHBondContact OE1-OG1 3.17Å
280	V	98.6	Very high	97.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	162.9	166.4	-54.5	0	0	0	0	110.7	I255 M290 L295 F299 L310 V311 H312	I255-V280 HydrophobicContact CB-CG1 4.42Å; I255-V280 HydrophobicContact CD1-CG1 4.36Å; V280-M290 HydrophobicContact CB-CE 3.97Å; V280-M290 HydrophobicContact CB-SD 3.95Å; V280-M290 HydrophobicContact CG1-CE 3.7Å; V280-M290 HydrophobicContact CG1-SD 3.91Å; V280-L295 HydrophobicContact CB-CD2 4.25Å; V280-L295 HydrophobicContact CG2-CD2 3.64Å; V280-F299 HydrophobicContact CG2-CE1 3.7Å; V280-F299 HydrophobicContact CG2-CZ 4.33Å; V280-L310 PolarHBondContact N-O 2.83Å; V280-V311 HydrophobicContact CG2-CB 4.48Å; V280-V311 HydrophobicContact CG2-CG1 4.25Å; V280-V311 HydrophobicContact CG2-CG2 4.07Å; V280-H312 PolarHBondContact O-N 3.39Å
281	Y	98.5	Very high	97.4	Very high	3 Å²	3	38 Å²	38	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.6	-174.3	-70.8	-89.6	0	0	0	112	D254 Q279 Y284 Y288 M290 H312	D254-Y281 HydrophobicContact CB-CE2 4.06Å; D254-Y281 WeakPolarHBondContact OD2-CE2 3.43Å; D254-Y281 VanDerWaalsContact OD2-CZ 3.27Å; D254-Y281 PolarHBondContact OD2-OH 3.47Å; Q279-Y281 HydrophobicContact CG-CE2 4.23Å; Q279-Y281 PolarHBondContact NE2-OH 3.26Å; Y281-Y284 AromaticContact CD1-CD2 3.49Å; Y281-Y284 HydrophobicContact CD1-CD2 3.49Å; Y281-Y284 VanDerWaalsContact CD1-CD2 3.49Å; Y281-Y284 AromaticContact CD1-CE2 3.66Å; Y281-Y284 HydrophobicContact CD1-CE2 3.66Å; Y281-Y284 AromaticContact CE1-CD2 3.88Å; Y281-Y284 HydrophobicContact CE1-CD2 3.88Å; Y281-Y284 AromaticContact CE1-CE2 3.65Å; Y281-Y284 HydrophobicContact CE1-CE2 3.65Å; Y281-Y284 HydrophobicContact CG-CD2 4.36Å; Y281-Y288 HydrophobicContact CD1-CD2 4.4Å; Y281-Y288 HydrophobicContact CD2-CG 4.35Å; Y281-Y288 HydrophobicContact CE1-CD2 4.43Å; Y281-Y288 HydrophobicContact CG-CD2 4.46Å; Y281-Y288 HydrophobicContact CG-CG 4.44Å; Y281-M290 PolarHBondContact O-N 3.01Å; Y281-H312 HydrophobicContact CD1-CB 3.74Å; Y281-H312 AromaticContact CD1-CD2 3.56Å; Y281-H312 AromaticContact CD1-CG 3.9Å; Y281-H312 HydrophobicContact CE1-CB 3.91Å; Y281-H312 AromaticContact CE1-CD2 3.97Å
282	M	98.8	Very high	97.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.184	C	C	.	.	S	Bend	trans	-100.1	-17	166.9	-57.8	-179.5	69.5	0	0	112	Q289 L295 V311 H312 A313 E314 G316 A349 R352 A353	M282-Q289 WeakPolarHBondContact O-CG 3.48Å; M282-L295 HydrophobicContact CE-CD1 4.17Å; M282-L295 HydrophobicContact CG-CD1 4.03Å; M282-L295 HydrophobicContact SD-CD1 4.38Å; M282-V311 HydrophobicContact CG-CG1 4Å; M282-V311 HydrophobicContact SD-CG1 3.76Å; M282-H312 PolarHBondContact N-O 3.4Å; M282-A313 HydrophobicContact SD-CB 4.18Å; M282-E314 CarbonylContact C-O 3.5Å; M282-E314 VanDerWaalsContact CB-O 3.28Å; M282-E314 WeakPolarHBondContact CB-O 3.26Å; M282-G316 WeakPolarHBondContact O-CA 3.46Å; M282-G316 PolarHBondContact O-N 2.6Å; M282-A349 HydrophobicContact CB-CB 4.45Å; M282-A349 HydrophobicContact CE-CB 3.84Å; M282-A349 WeakPolarHBondContact CE-O 3.4Å; M282-A349 HydrophobicContact SD-CB 4.03Å; M282-R352 HydrophobicContact CE-CB 4.1Å; M282-R352 HydrophobicContact CE-CG 4.05Å; M282-R352 VanDerWaalsContact CE-CZ 3.4Å; M282-R352 VanDerWaalsContact CE-NH1 3.34Å; M282-A353 HydrophobicContact SD-CB 3.81Å
283	A	97.7	Very high	97.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-95.2	-175.1	173.2	0	0	0	0	0	111.7	Q289 H312 E314 I319	A283-Q289 WeakPolarHBondContact O-CA 3.49Å; A283-Q289 WeakPolarHBondContact O-CB 3.32Å; A283-Q289 PolarHBondContact O-N 2.76Å; A283-H312 WeakPolarHBondContact CB-NE2 3.12Å; A283-E314 HydrophobicContact CB-CB 4.06Å; A283-E314 PolarHBondContact N-O 2.64Å; A283-I319 HydrophobicContact CB-CD1 4.1Å
284	Y	96.3	Very high	97.5	Very high	46 Å²	46	33.3 Å²	33.3	18%	0.18	18%	0.182	C	C	.	.	S	Bend	trans	59	62	-179.9	-48.6	-72.4	0	0	0	112.8	Y281 V287 Y288 Q289 H312 S418 E467	Y281-Y284 AromaticContact CD1-CD2 3.49Å; Y281-Y284 HydrophobicContact CD1-CD2 3.49Å; Y281-Y284 VanDerWaalsContact CD1-CD2 3.49Å; Y281-Y284 AromaticContact CD1-CE2 3.66Å; Y281-Y284 HydrophobicContact CD1-CE2 3.66Å; Y281-Y284 AromaticContact CE1-CD2 3.88Å; Y281-Y284 HydrophobicContact CE1-CD2 3.88Å; Y281-Y284 AromaticContact CE1-CE2 3.65Å; Y281-Y284 HydrophobicContact CE1-CE2 3.65Å; Y281-Y284 HydrophobicContact CG-CD2 4.36Å; Y284-V287 PolarHBondContact O-N 2.74Å; Y284-V287 VanDerWaalsContact O-N 3.12Å; Y284-Y288 AromaticContact CD2-CD2 3.72Å; Y284-Y288 HydrophobicContact CD2-CD2 3.72Å; Y284-Y288 HydrophobicContact CD2-CE2 4.48Å; Y284-Y288 AromaticContact CG-CD2 3.78Å; Y284-Y288 HydrophobicContact CG-CD2 3.78Å; Y284-Y288 HydrophobicContact CG-CE2 4.41Å; Y284-Y288 PolarHBondContact O-N 3.19Å; Y284-Q289 PolarHBondContact O-N 3.39Å; Y284-H312 AromaticContact CE2-CD2 3.56Å; Y284-H312 AromaticContact CE2-NE2 3.43Å; Y284-H312 WeakPolarHBondContact CE2-NE2 3.01Å; Y284-H312 AromaticContact CZ-NE2 3.94Å; Y284-S418 WeakPolarHBondContact OH-CB 3.48Å; Y284-E467 WeakPolarHBondContact CE1-OE2 3.23Å; Y284-E467 VanDerWaalsContact CZ-OE2 3.31Å; Y284-E467 PolarHBondContact OH-OE2 3.07Å
285	K	96.6	Very high	97.5	Very high	71 Å²	71	32.8 Å²	32.8	31%	0.309	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	139.3	175.6	-179.7	161.9	180	160.8	0	111.9	V287 Q289 D317 A320	K285-V287 PolarHBondContact O-N 3.28Å; K285-Q289 VanDerWaalsContact CA-OE1 3.25Å; K285-Q289 VanDerWaalsContact CB-OE1 3.24Å; K285-D317 IonicContact NZ-OD1 3.12Å; K285-D317 PolarHBondContact NZ-OD1 2.9Å; K285-A320 HydrophobicContact CB-CB 4.27Å; K285-A320 HydrophobicContact CD-CB 4Å
286	D	93.6	Very high	97.5	Very high	150 Å²	150	38.6 Å²	38.6	80%	0.802	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	4.4	-178.9	-50.6	-35.3	0	0	0	115.3
287	V	93.1	Very high	97.5	Very high	74 Å²	74	42.6 Å²	42.6	45%	0.448	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-55.1	179.1	-170.5	0	0	0	0	112.2	P226 Y284 K285	P226-V287 HydrophobicContact CG-CG1 4.1Å; Y284-V287 PolarHBondContact O-N 2.74Å; Y284-V287 VanDerWaalsContact O-N 3.12Å; K285-V287 PolarHBondContact O-N 3.28Å
288	Y	95.6	Very high	97.5	Very high	31 Å²	31	42.6 Å²	42.6	12%	0.122	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-17.5	-179.5	-49.5	-45.1	0	0	0	113.9	P226 T256 Y281 Y284 M290	P226-Y288 HydrophobicContact CG-CD1 4.45Å; P226-Y288 HydrophobicContact CG-CE1 4.03Å; T256-Y288 HydrophobicContact CG2-CD1 3.38Å; T256-Y288 HydrophobicContact CG2-CE1 3.52Å; T256-Y288 HydrophobicContact CG2-CG 4.18Å; Y281-Y288 HydrophobicContact CD1-CD2 4.4Å; Y281-Y288 HydrophobicContact CD2-CG 4.35Å; Y281-Y288 HydrophobicContact CE1-CD2 4.43Å; Y281-Y288 HydrophobicContact CG-CD2 4.46Å; Y281-Y288 HydrophobicContact CG-CG 4.44Å; Y284-Y288 AromaticContact CD2-CD2 3.72Å; Y284-Y288 HydrophobicContact CD2-CD2 3.72Å; Y284-Y288 HydrophobicContact CD2-CE2 4.48Å; Y284-Y288 AromaticContact CG-CD2 3.78Å; Y284-Y288 HydrophobicContact CG-CD2 3.78Å; Y284-Y288 HydrophobicContact CG-CE2 4.41Å; Y284-Y288 PolarHBondContact O-N 3.19Å; Y288-M290 PolarHBondContact O-N 3.03Å
289	Q	97.8	Very high	97.5	Very high	41 Å²	41	42.6 Å²	42.6	19%	0.192	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-56.9	125.2	-173.1	-177.9	176.2	-6.7	0	0	112.6	M282 A283 Y284 K285 D317	M282-Q289 WeakPolarHBondContact O-CG 3.48Å; A283-Q289 WeakPolarHBondContact O-CA 3.49Å; A283-Q289 WeakPolarHBondContact O-CB 3.32Å; A283-Q289 PolarHBondContact O-N 2.76Å; Y284-Q289 PolarHBondContact O-N 3.39Å; K285-Q289 VanDerWaalsContact CA-OE1 3.25Å; K285-Q289 VanDerWaalsContact CB-OE1 3.24Å; Q289-D317 PolarHBondContact NE2-OD2 3.26Å
290	M	97.8	Very high	97.5	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-90.6	141.8	167.6	-65.3	-168.3	-173.3	0	0	111.5	I255 W258 V280 Y281 Y288 Q294 L295 A298	I255-M290 HydrophobicContact CB-CE 3.83Å; I255-M290 HydrophobicContact CG2-CE 3.48Å; I255-M290 VanDerWaalsContact CG2-CE 3.48Å; I255-M290 VanDerWaalsContact O-CE 3.24Å; I255-M290 WeakPolarHBondContact O-CE 3.43Å; W258-M290 HydrophobicContact CB-CE 4.14Å; W258-M290 HydrophobicContact CB-SD 4.28Å; V280-M290 HydrophobicContact CB-CE 3.97Å; V280-M290 HydrophobicContact CB-SD 3.95Å; V280-M290 HydrophobicContact CG1-CE 3.7Å; V280-M290 HydrophobicContact CG1-SD 3.91Å; Y281-M290 PolarHBondContact O-N 3.01Å; Y288-M290 PolarHBondContact O-N 3.03Å; M290-Q294 HydrophobicContact CB-CB 4.11Å; M290-Q294 HydrophobicContact CG-CB 4.45Å; M290-Q294 HydrophobicContact SD-CB 4.49Å; M290-L295 HydrophobicContact CB-CD2 3.76Å; M290-L295 HydrophobicContact CB-CG 3.81Å; M290-L295 HydrophobicContact CG-CD2 4.42Å; M290-L295 HydrophobicContact SD-CD2 4.08Å; M290-A298 HydrophobicContact SD-CB 4.35Å
291	S	98.1	Very high	97.5	Very high	53 Å²	53	47.6 Å²	47.6	37%	0.371	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-71.4	158	165	63.4	0	0	0	0	111.6	S293 Q294 L295	S291-S293 PolarHBondContact O-N 3.18Å; S291-S293 VanDerWaalsContact O-N 3.13Å; S291-Q294 PolarHBondContact O-N 3.32Å; S291-Q294 WeakPolarHBondContact OG-CG 3.33Å; S291-Q294 PolarHBondContact OG-N 3.21Å; S291-Q294 PolarHBondContact OG-OE1 3.47Å; S291-L295 WeakPolarHBondContact O-CG 3.34Å; S291-L295 PolarHBondContact O-N 3.38Å
292	D	98.6	Very high	97.4	Very high	74 Å²	74	47.4 Å²	47.4	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-54.7	-33.2	177.5	-71.7	-4.7	0	0	0	113.3	Y296 R352 I356	D292-Y296 WeakPolarHBondContact O-CB 3.49Å; D292-Y296 PolarHBondContact O-N 3.35Å; D292-R352 WeakPolarHBondContact OD1-CD 3.49Å; D292-R352 IonicContact OD1-CZ 3.01Å; D292-R352 IonicContact OD1-NE 2.78Å; D292-R352 IonicContact OD1-NH1 3.91Å; D292-R352 PolarHBondContact OD1-NH1 2.62Å; D292-R352 WeakPolarHBondContact OD2-CD 3.48Å; D292-I356 HydrophobicContact CB-CD1 4.26Å
293	S	98.1	Very high	97.4	Very high	83 Å²	83	49.2 Å²	49.2	58%	0.58	25%	0.252	S	S	*	.	H	α-helix	trans	-65.3	-46.3	174.5	-55.7	0	0	0	0	111.9	S291 Y296 E297	S291-S293 PolarHBondContact O-N 3.18Å; S291-S293 VanDerWaalsContact O-N 3.13Å; S293-Y296 PolarHBondContact O-N 3.43Å; S293-E297 PolarHBondContact O-N 3.24Å
294	Q	97.9	Very high	97.4	Very high	60 Å²	60	51.9 Å²	51.9	28%	0.28	28%	0.279	S	S	.	.	H	α-helix	trans	-67	-39.9	176.6	-69.9	165.1	-62.4	0	0	111.4	W258 M290 S291 Y296 E297 A298	W258-Q294 HydrophobicContact CB-CB 4.14Å; W258-Q294 HydrophobicContact CB-CG 4.26Å; W258-Q294 HydrophobicContact CG-CB 4.25Å; W258-Q294 HydrophobicContact CG-CG 4.45Å; W258-Q294 PolarHBondContact O-NE2 2.92Å; M290-Q294 HydrophobicContact CB-CB 4.11Å; M290-Q294 HydrophobicContact CG-CB 4.45Å; M290-Q294 HydrophobicContact SD-CB 4.49Å; S291-Q294 PolarHBondContact O-N 3.32Å; S291-Q294 WeakPolarHBondContact OG-CG 3.33Å; S291-Q294 PolarHBondContact OG-N 3.21Å; S291-Q294 PolarHBondContact OG-OE1 3.47Å; Q294-Y296 VanDerWaalsContact C-N 3.31Å; Q294-Y296 PolarHBondContact O-N 2.92Å; Q294-E297 PolarHBondContact O-N 3.39Å; Q294-A298 VanDerWaalsContact O-CB 3.23Å; Q294-A298 WeakPolarHBondContact O-CB 3.25Å; Q294-A298 PolarHBondContact O-N 3.42Å
295	L	98.4	Very high	97.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.5	-44	172.6	-69.5	173	0	0	0	111.1	V280 M282 M290 S291 F299 I356	V280-L295 HydrophobicContact CB-CD2 4.25Å; V280-L295 HydrophobicContact CG2-CD2 3.64Å; M282-L295 HydrophobicContact CE-CD1 4.17Å; M282-L295 HydrophobicContact CG-CD1 4.03Å; M282-L295 HydrophobicContact SD-CD1 4.38Å; M290-L295 HydrophobicContact CB-CD2 3.76Å; M290-L295 HydrophobicContact CB-CG 3.81Å; M290-L295 HydrophobicContact CG-CD2 4.42Å; M290-L295 HydrophobicContact SD-CD2 4.08Å; S291-L295 WeakPolarHBondContact O-CG 3.34Å; S291-L295 PolarHBondContact O-N 3.38Å; L295-F299 HydrophobicContact CD2-CE1 4.19Å; L295-F299 HydrophobicContact CD2-CZ 4.35Å; L295-F299 VanDerWaalsContact O-CB 3.23Å; L295-F299 WeakPolarHBondContact O-CB 3.41Å; L295-F299 VanDerWaalsContact O-CD1 3.28Å; L295-F299 WeakPolarHBondContact O-CD1 3.49Å; L295-F299 WeakPolarHBondContact O-CG 3.34Å; L295-F299 PolarHBondContact O-N 3.12Å; L295-I356 HydrophobicContact CB-CD1 4.12Å; L295-I356 HydrophobicContact CD1-CD1 4.07Å
296	Y	98.5	Very high	97.5	Very high	121 Å²	121	47.2 Å²	47.2	48%	0.475	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-44.2	178.2	-176.6	-83.8	0	0	0	112.3	D292 S293 Q294 T300 I356 I360	D292-Y296 WeakPolarHBondContact O-CB 3.49Å; D292-Y296 PolarHBondContact O-N 3.35Å; S293-Y296 PolarHBondContact O-N 3.43Å; Q294-Y296 VanDerWaalsContact C-N 3.31Å; Q294-Y296 PolarHBondContact O-N 2.92Å; Y296-T300 VanDerWaalsContact O-CB 3.31Å; Y296-T300 WeakPolarHBondContact O-CB 3.48Å; Y296-T300 PolarHBondContact O-N 3.22Å; Y296-T300 VanDerWaalsContact O-N 3.09Å; Y296-T300 PolarHBondContact O-OG1 3Å; Y296-I356 HydrophobicContact CD2-CG2 4.31Å; Y296-I360 HydrophobicContact CD2-CD1 3.67Å; Y296-I360 HydrophobicContact CD2-CG1 3.83Å; Y296-I360 HydrophobicContact CE2-CD1 3.96Å; Y296-I360 HydrophobicContact CE2-CG1 3.57Å; Y296-I360 HydrophobicContact CG-CD1 4.02Å; Y296-I360 VanDerWaalsContact O-CD1 3.29Å; Y296-I360 WeakPolarHBondContact O-CD1 3.5Å
297	E	98.3	Very high	97.7	Very high	85 Å²	85	40.1 Å²	40.1	40%	0.397	22%	0.223	S	C	.	.	H	α-helix	trans	-64.6	-50.4	175.4	-72.9	-180	-157.4	0	0	112.3	W258 R263 S293 Q294 F299 T300 F301	W258-E297 HydrophobicContact CZ2-CB 4.1Å; W258-E297 PolarHBondContact NE1-OE2 3.19Å; R263-E297 IonicContact NH2-OE2 2.76Å; S293-E297 PolarHBondContact O-N 3.24Å; Q294-E297 PolarHBondContact O-N 3.39Å; E297-F299 PolarHBondContact O-N 3.32Å; E297-T300 WeakPolarHBondContact O-CB 3.47Å; E297-T300 PolarHBondContact O-N 3.18Å; E297-T300 VanDerWaalsContact O-N 3.16Å; E297-F301 WeakPolarHBondContact O-CB 3.45Å; E297-F301 PolarHBondContact O-N 2.84Å
298	A	98.2	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-47.2	180	0	0	0	0	0	111.3	W258 M290 Q294 T300 F301 L302	W258-A298 HydrophobicContact CD2-CB 3.9Å; W258-A298 HydrophobicContact CE3-CB 3.67Å; W258-A298 HydrophobicContact CH2-CB 4.13Å; W258-A298 HydrophobicContact CZ2-CB 4.29Å; W258-A298 HydrophobicContact CZ3-CB 3.8Å; M290-A298 HydrophobicContact SD-CB 4.35Å; Q294-A298 VanDerWaalsContact O-CB 3.23Å; Q294-A298 WeakPolarHBondContact O-CB 3.25Å; Q294-A298 PolarHBondContact O-N 3.42Å; A298-T300 VanDerWaalsContact C-N 3.31Å; A298-T300 PolarHBondContact O-N 2.93Å; A298-F301 PolarHBondContact O-N 3.03Å; A298-L302 VanDerWaalsContact O-CB 3.29Å; A298-L302 WeakPolarHBondContact O-CB 3.39Å; A298-L302 VanDerWaalsContact O-CG 3.22Å; A298-L302 WeakPolarHBondContact O-CG 3.33Å; A298-L302 PolarHBondContact O-N 3.23Å
299	F	98.5	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-36.6	178.1	-73.7	12.8	0	0	0	112.1	V280 L295 E297 K303 I309 V311 I356 A357 I360	V280-F299 HydrophobicContact CG2-CE1 3.7Å; V280-F299 HydrophobicContact CG2-CZ 4.33Å; L295-F299 HydrophobicContact CD2-CE1 4.19Å; L295-F299 HydrophobicContact CD2-CZ 4.35Å; L295-F299 VanDerWaalsContact O-CB 3.23Å; L295-F299 WeakPolarHBondContact O-CB 3.41Å; L295-F299 VanDerWaalsContact O-CD1 3.28Å; L295-F299 WeakPolarHBondContact O-CD1 3.49Å; L295-F299 WeakPolarHBondContact O-CG 3.34Å; L295-F299 PolarHBondContact O-N 3.12Å; E297-F299 PolarHBondContact O-N 3.32Å; F299-K303 WeakPolarHBondContact O-CB 3.35Å; F299-K303 PolarHBondContact O-N 3.2Å; F299-K303 VanDerWaalsContact O-N 3.1Å; F299-I309 HydrophobicContact CB-CD1 4.1Å; F299-I309 HydrophobicContact CD1-CD1 4.25Å; F299-I309 HydrophobicContact CD1-CG2 3.52Å; F299-I309 HydrophobicContact CE1-CG2 3.35Å; F299-I309 HydrophobicContact CG-CD1 4.18Å; F299-I309 HydrophobicContact CG-CG2 4.31Å; F299-I309 HydrophobicContact CZ-CG2 4.04Å; F299-V311 HydrophobicContact CE1-CG2 4.15Å; F299-V311 HydrophobicContact CZ-CG2 3.69Å; F299-I356 HydrophobicContact CD2-CB 4.37Å; F299-I356 HydrophobicContact CD2-CG2 3.73Å; F299-I356 HydrophobicContact CE2-CB 4.29Å; F299-I356 HydrophobicContact CE2-CG2 4.05Å; F299-A357 HydrophobicContact CD2-CB 4.07Å; F299-A357 HydrophobicContact CE2-CB 4.1Å; F299-I360 HydrophobicContact CB-CD1 3.47Å; F299-I360 VanDerWaalsContact CB-CD1 3.47Å; F299-I360 HydrophobicContact CD2-CD1 4.35Å; F299-I360 HydrophobicContact CG-CD1 4.4Å
300	T	98	Very high	98.2	Very high	64 Å²	64	33.2 Å²	33.2	39%	0.393	19%	0.187	S	C	.	.	H	α-helix	trans	-66.1	-44.7	176.7	-62.1	0	0	0	0	111	Y296 E297 A298 G304	Y296-T300 VanDerWaalsContact O-CB 3.31Å; Y296-T300 WeakPolarHBondContact O-CB 3.48Å; Y296-T300 PolarHBondContact O-N 3.22Å; Y296-T300 VanDerWaalsContact O-N 3.09Å; Y296-T300 PolarHBondContact O-OG1 3Å; E297-T300 WeakPolarHBondContact O-CB 3.47Å; E297-T300 PolarHBondContact O-N 3.18Å; E297-T300 VanDerWaalsContact O-N 3.16Å; A298-T300 VanDerWaalsContact C-N 3.31Å; A298-T300 PolarHBondContact O-N 2.93Å; T300-G304 PolarHBondContact O-N 3.41Å
301	F	98.4	Very high	98.2	Very high	40 Å²	40	33.1 Å²	33.1	18%	0.175	19%	0.186	C	C	.	.	H	α-helix	trans	-69.3	-50	179.9	-174.5	-103.4	0	0	0	112.4	W258 R263 L266 E267 E297 A298 K303 G304 L305	W258-F301 HydrophobicContact CH2-CB 3.79Å; W258-F301 AromaticContact CH2-CD1 3.85Å; W258-F301 HydrophobicContact CH2-CD1 3.85Å; W258-F301 HydrophobicContact CH2-CG 4.01Å; W258-F301 HydrophobicContact CZ2-CB 4.22Å; R263-F301 HydrophobicContact CB-CE1 3.8Å; R263-F301 HydrophobicContact CB-CE2 3.9Å; R263-F301 HydrophobicContact CB-CZ 3.45Å; R263-F301 VanDerWaalsContact CB-CZ 3.45Å; R263-F301 HydrophobicContact CG-CD1 4.09Å; R263-F301 HydrophobicContact CG-CD2 4.13Å; R263-F301 HydrophobicContact CG-CE1 3.85Å; R263-F301 HydrophobicContact CG-CE2 3.91Å; R263-F301 HydrophobicContact CG-CG 4.22Å; R263-F301 HydrophobicContact CG-CZ 3.77Å; L266-F301 HydrophobicContact CB-CE1 4Å; L266-F301 HydrophobicContact CD1-CD1 4.09Å; L266-F301 HydrophobicContact CD1-CE1 4.02Å; E267-F301 HydrophobicContact CG-CZ 4.08Å; E297-F301 WeakPolarHBondContact O-CB 3.45Å; E297-F301 PolarHBondContact O-N 2.84Å; A298-F301 PolarHBondContact O-N 3.03Å; F301-K303 VanDerWaalsContact C-N 3.28Å; F301-K303 PolarHBondContact O-N 3.41Å; F301-G304 VanDerWaalsContact O-CA 3.28Å; F301-G304 WeakPolarHBondContact O-CA 3.46Å; F301-G304 PolarHBondContact O-N 3.34Å; F301-L305 HydrophobicContact CD1-CD1 4.17Å; F301-L305 HydrophobicContact CD1-CG 4.46Å; F301-L305 HydrophobicContact CE1-CD1 3.57Å; F301-L305 HydrophobicContact CE1-CG 4.07Å; F301-L305 HydrophobicContact CZ-CD1 4.09Å; F301-L305 HydrophobicContact CZ-CD2 4.26Å; F301-L305 HydrophobicContact CZ-CG 4.3Å; F301-L305 PolarHBondContact O-N 3.49Å; F301-L305 VanDerWaalsContact O-N 3.07Å
302	L	98.3	Very high	98.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-34.3	178.7	-68.8	175.6	0	0	0	112.8	I255 L266 F278 A298 G304 L305 G306 A307 I309	I255-L302 HydrophobicContact CD1-CD1 3.91Å; I255-L302 HydrophobicContact CD1-CD2 4.28Å; L266-L302 HydrophobicContact CD1-CD2 4.14Å; L266-L302 HydrophobicContact CD2-CD2 4.32Å; F278-L302 HydrophobicContact CB-CD1 4.16Å; F278-L302 HydrophobicContact CB-CD2 4.26Å; F278-L302 HydrophobicContact CD2-CD2 3.53Å; F278-L302 HydrophobicContact CE2-CD2 4.07Å; F278-L302 HydrophobicContact CG-CD2 3.95Å; A298-L302 VanDerWaalsContact O-CB 3.29Å; A298-L302 WeakPolarHBondContact O-CB 3.39Å; A298-L302 VanDerWaalsContact O-CG 3.22Å; A298-L302 WeakPolarHBondContact O-CG 3.33Å; A298-L302 PolarHBondContact O-N 3.23Å; L302-G304 VanDerWaalsContact C-N 3.31Å; L302-L305 PolarHBondContact O-N 2.81Å; L302-G306 PolarHBondContact O-N 3.47Å; L302-A307 HydrophobicContact CB-CB 4.42Å; L302-A307 HydrophobicContact CD2-CB 4.49Å; L302-A307 PolarHBondContact O-N 3.23Å; L302-I309 HydrophobicContact CB-CD1 4.09Å; L302-I309 HydrophobicContact CB-CG1 3.82Å; L302-I309 HydrophobicContact CD1-CG1 4.04Å
303	K	97.6	Very high	98.2	Very high	39 Å²	39	27.2 Å²	27.2	17%	0.17	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-39.7	169.2	179.8	-166.3	168.9	-172.6	0	111.9	F299 F301 L305 G306 I360 N361 C362 Y593 N600	F299-K303 WeakPolarHBondContact O-CB 3.35Å; F299-K303 PolarHBondContact O-N 3.2Å; F299-K303 VanDerWaalsContact O-N 3.1Å; F301-K303 VanDerWaalsContact C-N 3.28Å; F301-K303 PolarHBondContact O-N 3.41Å; K303-L305 VanDerWaalsContact C-N 3.31Å; K303-G306 PolarHBondContact O-N 3.06Å; K303-G306 VanDerWaalsContact O-N 3.14Å; K303-I360 HydrophobicContact CD-CG2 3.89Å; K303-I360 PolarHBondContact NZ-O 3.4Å; K303-N361 WeakPolarHBondContact CE-O 3.49Å; K303-N361 PolarHBondContact NZ-O 2.97Å; K303-C362 HydrophobicContact CB-CB 3.81Å; K303-C362 HydrophobicContact CD-CB 3.95Å; K303-C362 HydrophobicContact CG-CB 3.94Å; K303-Y593 HydrophobicContact CG-CE1 4.4Å; K303-N600 PolarHBondContact NZ-OD1 3.44Å
304	G	97.6	Very high	98.3	Very high	55 Å²	55	23.3 Å²	23.3	57%	0.567	12%	0.124	S	C	*	.	H	α-helix	trans	-61.1	-39.3	175.5	0	0	0	0	0	112.5	T300 F301 L302 G306 F588	T300-G304 PolarHBondContact O-N 3.41Å; F301-G304 VanDerWaalsContact O-CA 3.28Å; F301-G304 WeakPolarHBondContact O-CA 3.46Å; F301-G304 PolarHBondContact O-N 3.34Å; L302-G304 VanDerWaalsContact C-N 3.31Å; G304-G306 VanDerWaalsContact C-N 3.25Å; G304-G306 PolarHBondContact O-N 2.82Å; G304-F588 WeakPolarHBondContact O-CZ 3.26Å
305	L	98.1	Very high	98.3	Very high	20 Å²	20	21.5 Å²	21.5	11%	0.105	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-5.6	174.4	-57.7	-172.8	0	0	0	114.3	L266 E267 V270 F301 L302 K303 A307 A587	L266-L305 HydrophobicContact CB-CD1 3.98Å; E267-L305 HydrophobicContact CG-CD1 4.29Å; E267-L305 HydrophobicContact CG-CD2 3.66Å; V270-L305 HydrophobicContact CG2-CB 4.18Å; V270-L305 HydrophobicContact CG2-CD1 4.02Å; F301-L305 HydrophobicContact CD1-CD1 4.17Å; F301-L305 HydrophobicContact CD1-CG 4.46Å; F301-L305 HydrophobicContact CE1-CD1 3.57Å; F301-L305 HydrophobicContact CE1-CG 4.07Å; F301-L305 HydrophobicContact CZ-CD1 4.09Å; F301-L305 HydrophobicContact CZ-CD2 4.26Å; F301-L305 HydrophobicContact CZ-CG 4.3Å; F301-L305 PolarHBondContact O-N 3.49Å; F301-L305 VanDerWaalsContact O-N 3.07Å; L302-L305 PolarHBondContact O-N 2.81Å; K303-L305 VanDerWaalsContact C-N 3.31Å; L305-A307 VanDerWaalsContact C-N 3.34Å; L305-A587 VanDerWaalsContact O-CB 3.31Å; L305-A587 WeakPolarHBondContact O-CB 3.36Å
306	G	97.8	Very high	98.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	22	-178.3	0	0	0	0	0	114.4	L302 K303 G304 F588 P589 Y593	L302-G306 PolarHBondContact O-N 3.47Å; K303-G306 PolarHBondContact O-N 3.06Å; K303-G306 VanDerWaalsContact O-N 3.14Å; G304-G306 VanDerWaalsContact C-N 3.25Å; G304-G306 PolarHBondContact O-N 2.82Å; G306-F588 VanDerWaalsContact CA-CD1 3.49Å; G306-F588 PolarHBondContact O-N 2.85Å; G306-P589 WeakPolarHBondContact O-CD 3.45Å; G306-Y593 VanDerWaalsContact C-CZ 3.46Å; G306-Y593 VanDerWaalsContact O-CE2 3.26Å; G306-Y593 WeakPolarHBondContact O-CE2 3.47Å
307	A	98	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.111	C	C	.	.			trans	-83.1	162.6	-176	0	0	0	0	0	113.6	N276 F278 L302 L305 Y593	N276-A307 CarbonylContact O-C 3.55Å; N276-A307 VanDerWaalsContact O-CA 3.25Å; N276-A307 WeakPolarHBondContact O-CA 3.09Å; F278-A307 HydrophobicContact CD2-CB 3.75Å; F278-A307 HydrophobicContact CE2-CB 3.82Å; L302-A307 HydrophobicContact CB-CB 4.42Å; L302-A307 HydrophobicContact CD2-CB 4.49Å; L302-A307 PolarHBondContact O-N 3.23Å; L305-A307 VanDerWaalsContact C-N 3.34Å; A307-Y593 PolarHBondContact N-OH 3.06Å; A307-Y593 WeakPolarHBondContact O-CE2 3.45Å; A307-Y593 PolarHBondContact O-OH 3.47Å
308	V	98.1	Very high	98.3	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.2	165.3	-166.2	0	0	0	0	108.3	N276 S277 F278 L310 I505 F506 P589 L592	N276-V308 PolarHBondContact O-N 2.89Å; S277-V308 VanDerWaalsContact CA-O 3.26Å; S277-V308 WeakPolarHBondContact CA-O 3.27Å; F278-V308 PolarHBondContact N-O 2.76Å; V308-L310 HydrophobicContact CB-CD1 4.36Å; V308-L310 HydrophobicContact CG1-CD1 4.25Å; V308-I505 HydrophobicContact CG1-CG2 4.13Å; V308-F506 HydrophobicContact CB-CD1 4.42Å; V308-F506 HydrophobicContact CB-CE1 4.1Å; V308-F506 HydrophobicContact CG1-CE1 3.92Å; V308-F506 HydrophobicContact CG2-CD1 4.06Å; V308-F506 HydrophobicContact CG2-CE1 4.21Å; V308-P589 HydrophobicContact CG2-CG 4.04Å; V308-L592 HydrophobicContact CB-CD1 4.47Å; V308-L592 HydrophobicContact CG1-CD1 4.2Å; V308-L592 HydrophobicContact CG2-CD1 3.71Å
309	I	98.6	Very high	98.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	109.8	-178.4	-59.6	162.8	0	0	0	108	F299 L302 V311 C362 Y365	F299-I309 HydrophobicContact CB-CD1 4.1Å; F299-I309 HydrophobicContact CD1-CD1 4.25Å; F299-I309 HydrophobicContact CD1-CG2 3.52Å; F299-I309 HydrophobicContact CE1-CG2 3.35Å; F299-I309 HydrophobicContact CG-CD1 4.18Å; F299-I309 HydrophobicContact CG-CG2 4.31Å; F299-I309 HydrophobicContact CZ-CG2 4.04Å; L302-I309 HydrophobicContact CB-CD1 4.09Å; L302-I309 HydrophobicContact CB-CG1 3.82Å; L302-I309 HydrophobicContact CD1-CG1 4.04Å; I309-V311 HydrophobicContact CG2-CG2 4.23Å; I309-C362 HydrophobicContact CD1-CB 3.87Å; I309-Y365 WeakPolarHBondContact O-CB 3.27Å; I309-Y365 PolarHBondContact O-N 3.28Å
310	L	98.8	Very high	98.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	141.4	174.1	-68	76.9	0	0	0	108.7	F278 Q279 V280 V308 Y365 T367 F506	F278-L310 PolarHBondContact O-N 2.83Å; Q279-L310 WeakPolarHBondContact CA-O 3.12Å; Q279-L310 HydrophobicContact CB-CB 3.92Å; Q279-L310 HydrophobicContact CG-CB 4.24Å; V280-L310 PolarHBondContact N-O 2.83Å; V308-L310 HydrophobicContact CB-CD1 4.36Å; V308-L310 HydrophobicContact CG1-CD1 4.25Å; L310-Y365 CarbonylContact C-O 3.57Å; L310-Y365 VanDerWaalsContact CA-O 3.31Å; L310-Y365 WeakPolarHBondContact CA-O 3.26Å; L310-Y365 HydrophobicContact CD2-CD1 4.35Å; L310-Y365 HydrophobicContact CG-CD1 3.92Å; L310-Y365 HydrophobicContact CG-CG 4.4Å; L310-T367 HydrophobicContact CB-CG2 3.95Å; L310-T367 HydrophobicContact CD2-CG2 3.73Å; L310-T367 HydrophobicContact CG-CG2 4.12Å; L310-F506 HydrophobicContact CD1-CE1 4.22Å
311	V	98.8	Very high	98.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	118.5	-179.6	-170.6	0	0	0	0	109.4	V280 M282 F299 I309 A313 A353 V364 Y365 I366 T367	V280-V311 HydrophobicContact CG2-CB 4.48Å; V280-V311 HydrophobicContact CG2-CG1 4.25Å; V280-V311 HydrophobicContact CG2-CG2 4.07Å; M282-V311 HydrophobicContact CG-CG1 4Å; M282-V311 HydrophobicContact SD-CG1 3.76Å; F299-V311 HydrophobicContact CE1-CG2 4.15Å; F299-V311 HydrophobicContact CZ-CG2 3.69Å; I309-V311 HydrophobicContact CG2-CG2 4.23Å; V311-A313 HydrophobicContact CG1-CB 4.02Å; V311-A313 PolarHBondContact O-N 3.12Å; V311-A353 HydrophobicContact CG1-CB 4.07Å; V311-V364 HydrophobicContact CB-CG2 4.5Å; V311-V364 HydrophobicContact CG2-CG2 3.46Å; V311-V364 VanDerWaalsContact CG2-CG2 3.46Å; V311-Y365 PolarHBondContact N-O 2.85Å; V311-I366 HydrophobicContact CB-CD1 4.3Å; V311-T367 PolarHBondContact O-N 3.41Å; V311-T367 PolarHBondContact O-OG1 2.93Å
312	H	98.8	Very high	98.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	103.7	162.4	175.6	68.9	0	0	0	108.5	V280 Y281 M282 A283 Y284 E314 K368 S418	V280-H312 PolarHBondContact O-N 3.39Å; Y281-H312 HydrophobicContact CD1-CB 3.74Å; Y281-H312 AromaticContact CD1-CD2 3.56Å; Y281-H312 AromaticContact CD1-CG 3.9Å; Y281-H312 HydrophobicContact CE1-CB 3.91Å; Y281-H312 AromaticContact CE1-CD2 3.97Å; M282-H312 PolarHBondContact N-O 3.4Å; A283-H312 WeakPolarHBondContact CB-NE2 3.12Å; Y284-H312 AromaticContact CE2-CD2 3.56Å; Y284-H312 AromaticContact CE2-NE2 3.43Å; Y284-H312 WeakPolarHBondContact CE2-NE2 3.01Å; Y284-H312 AromaticContact CZ-NE2 3.94Å; H312-E314 IonicContact CE1-OE2 3.6Å; H312-E314 PolarHBondContact CE1-OE2 3.22Å; H312-E314 IonicContact NE2-OE2 3.58Å; H312-E314 PolarHBondContact NE2-OE2 3.07Å; H312-K368 PolarHBondContact ND1-NZ 3.44Å; H312-S418 PolarHBondContact CE1-O 2.83Å
313	A	98.6	Very high	98.4	Very high	3 Å²	3	25.4 Å²	25.4	3%	0.025	15%	0.145	C	C	.	.			trans	-109.2	86.1	-162.5	0	0	0	0	0	112.4	M282 V311 E346 A349 V350 I366	M282-A313 HydrophobicContact SD-CB 4.18Å; V311-A313 HydrophobicContact CG1-CB 4.02Å; V311-A313 PolarHBondContact O-N 3.12Å; A313-E346 WeakPolarHBondContact O-CA 3.44Å; A313-A349 VanDerWaalsContact C-CB 3.43Å; A313-A349 HydrophobicContact CB-CB 4.08Å; A313-V350 HydrophobicContact CB-CG2 3.6Å; A313-I366 HydrophobicContact CB-CG2 4.45Å
314	E	98.7	Very high	98.5	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.009	16%	0.161	C	C	.	.	S	Bend	trans	-132.6	156.4	162.2	-53.6	170.1	63.4	0	0	109.2	M282 A283 H312 G316 I319 R341 L345 A349 S418 P419	M282-E314 CarbonylContact C-O 3.5Å; M282-E314 VanDerWaalsContact CB-O 3.28Å; M282-E314 WeakPolarHBondContact CB-O 3.26Å; A283-E314 HydrophobicContact CB-CB 4.06Å; A283-E314 PolarHBondContact N-O 2.64Å; H312-E314 IonicContact CE1-OE2 3.6Å; H312-E314 PolarHBondContact CE1-OE2 3.22Å; H312-E314 IonicContact NE2-OE2 3.58Å; H312-E314 PolarHBondContact NE2-OE2 3.07Å; E314-G316 PolarHBondContact O-N 3.47Å; E314-G316 VanDerWaalsContact O-N 3.14Å; E314-I319 HydrophobicContact CB-CD1 3.6Å; E314-I319 HydrophobicContact CG-CD1 4.48Å; E314-R341 WeakPolarHBondContact OE1-CD 3.46Å; E314-L345 CarbonylContact C-O 3.6Å; E314-L345 WeakPolarHBondContact CA-O 3.37Å; E314-A349 VanDerWaalsContact C-CB 3.45Å; E314-S418 PolarHBondContact OE1-OG 3.05Å; E314-S418 WeakPolarHBondContact OE2-CB 3.48Å; E314-S418 PolarHBondContact OE2-OG 3.14Å; E314-P419 VanDerWaalsContact CD-CA 3.5Å; E314-P419 HydrophobicContact CG-CB 3.98Å; E314-P419 HydrophobicContact CG-CG 3.77Å; E314-P419 WeakPolarHBondContact OE2-CA 3.36Å; E314-P419 WeakPolarHBondContact OE2-CG 3.41Å; E314-P419 VanDerWaalsContact OE2-N 3.12Å
315	N	98.8	Very high	98.5	Very high	21 Å²	21	31.2 Å²	31.2	11%	0.112	15%	0.152	C	C	.	.			trans	-78.9	95.1	179.6	-171.2	-53.1	0	0	0	112	D317 L318 I319 L345 E348 R352	N315-D317 VanDerWaalsContact C-N 3.3Å; N315-D317 PolarHBondContact O-N 3.38Å; N315-D317 PolarHBondContact OD1-N 2.83Å; N315-L318 HydrophobicContact CB-CB 4.29Å; N315-L318 HydrophobicContact CB-CD1 4.28Å; N315-L318 HydrophobicContact CB-CG 4.46Å; N315-L318 PolarHBondContact O-N 3.12Å; N315-L318 WeakPolarHBondContact OD1-CG 3.46Å; N315-L318 PolarHBondContact OD1-N 3.15Å; N315-I319 WeakPolarHBondContact O-CG1 3.34Å; N315-I319 PolarHBondContact O-N 3.43Å; N315-L345 HydrophobicContact CB-CB 4.3Å; N315-L345 HydrophobicContact CB-CG 4.26Å; N315-L345 PolarHBondContact N-O 3.11Å; N315-E348 PolarHBondContact ND2-OE2 2.85Å; N315-R352 PolarHBondContact ND2-NH2 3.26Å
316	G	98.5	Very high	98.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-58	-33	-176.4	0	0	0	0	0	115.8	M282 E314 A320	M282-G316 WeakPolarHBondContact O-CA 3.46Å; M282-G316 PolarHBondContact O-N 2.6Å; E314-G316 PolarHBondContact O-N 3.47Å; E314-G316 VanDerWaalsContact O-N 3.14Å; G316-A320 WeakPolarHBondContact O-CB 3.14Å; G316-A320 PolarHBondContact O-N 3.46Å; G316-A320 VanDerWaalsContact O-N 3.09Å
317	D	98.6	Very high	98.6	Very high	68 Å²	68	32.9 Å²	32.9	36%	0.364	16%	0.161	S	C	.	.	H	α-helix	trans	-68	-45.3	176.7	-77.2	-76.8	0	0	0	112.2	K285 Q289 N315 A320 Q321	K285-D317 IonicContact NZ-OD1 3.12Å; K285-D317 PolarHBondContact NZ-OD1 2.9Å; Q289-D317 PolarHBondContact NE2-OD2 3.26Å; N315-D317 VanDerWaalsContact C-N 3.3Å; N315-D317 PolarHBondContact O-N 3.38Å; N315-D317 PolarHBondContact OD1-N 2.83Å; D317-A320 PolarHBondContact O-N 3.41Å; D317-Q321 WeakPolarHBondContact O-CG 3.28Å; D317-Q321 PolarHBondContact O-N 2.74Å
318	L	98.7	Very high	98.6	Very high	81 Å²	81	39.6 Å²	39.6	42%	0.424	19%	0.192	S	C	.	.	H	α-helix	trans	-69.7	-38.8	177.4	-66.7	178.6	0	0	0	111.5	N315 A320 Q321 E322 L345	N315-L318 HydrophobicContact CB-CB 4.29Å; N315-L318 HydrophobicContact CB-CD1 4.28Å; N315-L318 HydrophobicContact CB-CG 4.46Å; N315-L318 PolarHBondContact O-N 3.12Å; N315-L318 WeakPolarHBondContact OD1-CG 3.46Å; N315-L318 PolarHBondContact OD1-N 3.15Å; L318-A320 VanDerWaalsContact C-N 3.31Å; L318-A320 PolarHBondContact O-N 3.44Å; L318-Q321 PolarHBondContact O-N 2.69Å; L318-E322 WeakPolarHBondContact O-CB 3.49Å; L318-E322 WeakPolarHBondContact O-CG 3.44Å; L318-E322 PolarHBondContact O-N 2.95Å; L318-L345 HydrophobicContact CB-CD1 4.46Å; L318-L345 HydrophobicContact CB-CD2 3.57Å; L318-L345 HydrophobicContact CB-CG 3.87Å; L318-L345 HydrophobicContact CD1-CD1 4.21Å; L318-L345 HydrophobicContact CD1-CG 4.11Å
319	I	98.8	Very high	98.6	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-53.9	-49.7	172.1	-68.4	171.3	0	0	0	110.3	A283 E314 N315 Q321 E322 Q323 R341 L345	A283-I319 HydrophobicContact CB-CD1 4.1Å; E314-I319 HydrophobicContact CB-CD1 3.6Å; E314-I319 HydrophobicContact CG-CD1 4.48Å; N315-I319 WeakPolarHBondContact O-CG1 3.34Å; N315-I319 PolarHBondContact O-N 3.43Å; I319-Q321 VanDerWaalsContact C-N 3.34Å; I319-Q321 PolarHBondContact O-N 2.96Å; I319-E322 PolarHBondContact O-N 3.43Å; I319-Q323 HydrophobicContact CG2-CG 4.03Å; I319-Q323 VanDerWaalsContact O-CB 3.32Å; I319-Q323 WeakPolarHBondContact O-CB 3.39Å; I319-Q323 VanDerWaalsContact O-CG 3.26Å; I319-Q323 WeakPolarHBondContact O-CG 3.23Å; I319-Q323 PolarHBondContact O-N 2.86Å; I319-R341 HydrophobicContact CD1-CG 4.28Å; I319-R341 HydrophobicContact CG1-CB 4.44Å; I319-R341 HydrophobicContact CG1-CG 3.92Å; I319-R341 HydrophobicContact CG2-CG 4.09Å; I319-L345 HydrophobicContact CG1-CD2 3.98Å
320	A	98.6	Very high	98.6	Very high	34 Å²	34	47.8 Å²	47.8	28%	0.281	25%	0.247	S	C	.	.	H	α-helix	trans	-63.8	-37	-177.4	0	0	0	0	0	112.9	K285 G316 D317 L318 K324	K285-A320 HydrophobicContact CB-CB 4.27Å; K285-A320 HydrophobicContact CD-CB 4Å; G316-A320 WeakPolarHBondContact O-CB 3.14Å; G316-A320 PolarHBondContact O-N 3.46Å; G316-A320 VanDerWaalsContact O-N 3.09Å; D317-A320 PolarHBondContact O-N 3.41Å; L318-A320 VanDerWaalsContact C-N 3.31Å; L318-A320 PolarHBondContact O-N 3.44Å; A320-K324 PolarHBondContact O-N 3.18Å
321	Q	98.5	Very high	98.6	Very high	117 Å²	117	49.8 Å²	49.8	55%	0.547	26%	0.257	S	S	.	.	H	α-helix	trans	-68.6	-46	174.7	-64.8	-63	-23	0	0	111.7	D317 L318 I319 K324 R325	D317-Q321 WeakPolarHBondContact O-CG 3.28Å; D317-Q321 PolarHBondContact O-N 2.74Å; L318-Q321 PolarHBondContact O-N 2.69Å; I319-Q321 VanDerWaalsContact C-N 3.34Å; I319-Q321 PolarHBondContact O-N 2.96Å; Q321-K324 PolarHBondContact O-N 3.02Å; Q321-R325 WeakPolarHBondContact O-CB 3.4Å; Q321-R325 PolarHBondContact O-N 3.42Å
322	E	98.6	Very high	98.6	Very high	48 Å²	48	52.5 Å²	52.5	22%	0.224	27%	0.274	C	S	.	.	H	α-helix	trans	-70.8	-38.2	-177	-72.5	-63.4	103.8	0	0	112.1	L318 I319 K324 R325 I326 S340	L318-E322 WeakPolarHBondContact O-CB 3.49Å; L318-E322 WeakPolarHBondContact O-CG 3.44Å; L318-E322 PolarHBondContact O-N 2.95Å; I319-E322 PolarHBondContact O-N 3.43Å; E322-K324 VanDerWaalsContact C-N 3.32Å; E322-K324 PolarHBondContact O-N 3.46Å; E322-R325 VanDerWaalsContact CD-NE 3.27Å; E322-R325 PolarHBondContact O-N 2.67Å; E322-R325 WeakPolarHBondContact OE1-CD 3.42Å; E322-R325 IonicContact OE1-CZ 3.5Å; E322-R325 IonicContact OE1-NE 3.98Å; E322-R325 PolarHBondContact OE1-NE 3.23Å; E322-R325 IonicContact OE1-NH2 2.75Å; E322-R325 IonicContact OE2-CZ 2.72Å; E322-R325 IonicContact OE2-NE 3.56Å; E322-R325 PolarHBondContact OE2-NE 3.11Å; E322-R325 IonicContact OE2-NH2 2.76Å; E322-R325 PolarHBondContact OE2-NH2 3.33Å; E322-I326 WeakPolarHBondContact O-CB 3.43Å; E322-I326 WeakPolarHBondContact O-CG1 3.31Å; E322-I326 PolarHBondContact O-N 3.37Å; E322-S340 WeakPolarHBondContact CB-O 3.42Å
323	Q	98.6	Very high	98.6	Very high	36 Å²	36	52.9 Å²	52.9	17%	0.168	28%	0.277	C	S	.	.	H	α-helix	trans	-56.1	-47.4	171.6	-78	-174.5	-43.8	0	0	111.4	I319 L327 S340 F462 T463	I319-Q323 HydrophobicContact CG2-CG 4.03Å; I319-Q323 VanDerWaalsContact O-CB 3.32Å; I319-Q323 WeakPolarHBondContact O-CB 3.39Å; I319-Q323 VanDerWaalsContact O-CG 3.26Å; I319-Q323 WeakPolarHBondContact O-CG 3.23Å; I319-Q323 PolarHBondContact O-N 2.86Å; Q323-L327 WeakPolarHBondContact O-CG 3.46Å; Q323-L327 PolarHBondContact O-N 2.98Å; Q323-L327 VanDerWaalsContact O-N 3.09Å; Q323-S340 WeakPolarHBondContact CG-OG 3.28Å; Q323-F462 HydrophobicContact CB-CZ 4.48Å; Q323-F462 HydrophobicContact CG-CE2 4.05Å; Q323-F462 HydrophobicContact CG-CZ 4.35Å; Q323-T463 HydrophobicContact CB-CG2 4.03Å; Q323-T463 HydrophobicContact CG-CG2 4.05Å
324	K	98.5	Very high	98.6	Very high	116 Å²	116	52.8 Å²	52.8	50%	0.504	28%	0.277	S	S	.	.	H	α-helix	trans	-60.9	-48.9	175.1	177.9	-178.2	168.9	-175.8	0	111.4	A320 Q321 E322 I326 L327 E328	A320-K324 PolarHBondContact O-N 3.18Å; Q321-K324 PolarHBondContact O-N 3.02Å; E322-K324 VanDerWaalsContact C-N 3.32Å; E322-K324 PolarHBondContact O-N 3.46Å; K324-I326 PolarHBondContact O-N 2.97Å; K324-L327 PolarHBondContact O-N 2.87Å; K324-E328 WeakPolarHBondContact CE-OE1 3.37Å; K324-E328 HydrophobicContact CG-CG 4.41Å; K324-E328 IonicContact NZ-OE1 3.02Å; K324-E328 WeakPolarHBondContact O-CB 3.4Å; K324-E328 WeakPolarHBondContact O-CG 3.13Å; K324-E328 PolarHBondContact O-N 3.38Å
325	R	98.6	Very high	98.6	Very high	99 Å²	99	55.2 Å²	55.2	37%	0.374	29%	0.288	S	S	.	.	H	α-helix	trans	-59.5	-43.4	-179	-170.4	-173.7	66.9	70	-2.1	112.4	Q321 E322 E328 M329	Q321-R325 WeakPolarHBondContact O-CB 3.4Å; Q321-R325 PolarHBondContact O-N 3.42Å; E322-R325 VanDerWaalsContact CD-NE 3.27Å; E322-R325 PolarHBondContact O-N 2.67Å; E322-R325 WeakPolarHBondContact OE1-CD 3.42Å; E322-R325 IonicContact OE1-CZ 3.5Å; E322-R325 IonicContact OE1-NE 3.98Å; E322-R325 PolarHBondContact OE1-NE 3.23Å; E322-R325 IonicContact OE1-NH2 2.75Å; E322-R325 IonicContact OE2-CZ 2.72Å; E322-R325 IonicContact OE2-NE 3.56Å; E322-R325 PolarHBondContact OE2-NE 3.11Å; E322-R325 IonicContact OE2-NH2 2.76Å; E322-R325 PolarHBondContact OE2-NH2 3.33Å; R325-E328 PolarHBondContact O-N 3.09Å; R325-M329 PolarHBondContact NH1-SD 3.38Å; R325-M329 WeakPolarHBondContact O-CG 3.21Å; R325-M329 PolarHBondContact O-N 3.46Å; R325-M329 VanDerWaalsContact O-N 3.14Å
326	I	98.7	Very high	98.6	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-67.7	-41.2	179.7	-68.8	-65.8	0	0	0	110.9	E322 K324 M329 I331 L339 F462	E322-I326 WeakPolarHBondContact O-CB 3.43Å; E322-I326 WeakPolarHBondContact O-CG1 3.31Å; E322-I326 PolarHBondContact O-N 3.37Å; K324-I326 PolarHBondContact O-N 2.97Å; I326-M329 WeakPolarHBondContact O-CB 3.22Å; I326-M329 PolarHBondContact O-N 3.14Å; I326-I331 HydrophobicContact CD1-CD1 4.43Å; I326-I331 HydrophobicContact CG2-CB 3.7Å; I326-I331 HydrophobicContact CG2-CD1 4.45Å; I326-I331 HydrophobicContact CG2-CG2 3.79Å; I326-I331 PolarHBondContact O-N 3.05Å; I326-L339 HydrophobicContact CD1-CB 3.88Å; I326-L339 HydrophobicContact CG1-CB 4.37Å; I326-F462 HydrophobicContact CB-CE1 4.38Å; I326-F462 HydrophobicContact CB-CZ 4.25Å; I326-F462 HydrophobicContact CG2-CE1 3.64Å; I326-F462 HydrophobicContact CG2-CZ 3.84Å
327	L	98.6	Very high	98.6	Very high	52 Å²	52	54.2 Å²	54.2	27%	0.272	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-39.7	173.2	-70.9	173.2	0	0	0	112.8	Q323 K324 M329 G330 T332 N461 F462 T463	Q323-L327 WeakPolarHBondContact O-CG 3.46Å; Q323-L327 PolarHBondContact O-N 2.98Å; Q323-L327 VanDerWaalsContact O-N 3.09Å; K324-L327 PolarHBondContact O-N 2.87Å; L327-M329 PolarHBondContact O-N 2.91Å; L327-G330 WeakPolarHBondContact O-CA 3.35Å; L327-G330 PolarHBondContact O-N 2.92Å; L327-T332 HydrophobicContact CD2-CG2 4.09Å; L327-N461 WeakPolarHBondContact CD2-OD1 3.43Å; L327-F462 HydrophobicContact CD2-CD1 3.91Å; L327-F462 HydrophobicContact CD2-CE1 3.6Å; L327-F462 HydrophobicContact CG-CE1 3.78Å; L327-F462 HydrophobicContact CG-CZ 4.32Å; L327-T463 HydrophobicContact CD1-CG2 3.84Å
328	E	98.6	Very high	98.6	Very high	140 Å²	140	51.4 Å²	51.4	65%	0.654	27%	0.269	S	S	*	.	H	α-helix	trans	-63.7	-24.8	174.9	-75.8	176.9	166.9	0	0	112.7	K324 R325 G330	K324-E328 WeakPolarHBondContact CE-OE1 3.37Å; K324-E328 HydrophobicContact CG-CG 4.41Å; K324-E328 IonicContact NZ-OE1 3.02Å; K324-E328 WeakPolarHBondContact O-CB 3.4Å; K324-E328 WeakPolarHBondContact O-CG 3.13Å; K324-E328 PolarHBondContact O-N 3.38Å; R325-E328 PolarHBondContact O-N 3.09Å; E328-G330 PolarHBondContact O-N 2.88Å
329	M	98.5	Very high	98.6	Very high	118 Å²	118	50.8 Å²	50.8	58%	0.581	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-1.9	170.4	-69.3	174.6	61.6	0	0	113.8	R325 I326 L327 I331	R325-M329 PolarHBondContact NH1-SD 3.38Å; R325-M329 WeakPolarHBondContact O-CG 3.21Å; R325-M329 PolarHBondContact O-N 3.46Å; R325-M329 VanDerWaalsContact O-N 3.14Å; I326-M329 WeakPolarHBondContact O-CB 3.22Å; I326-M329 PolarHBondContact O-N 3.14Å; L327-M329 PolarHBondContact O-N 2.91Å; M329-I331 VanDerWaalsContact C-N 3.34Å; M329-I331 HydrophobicContact CB-CD1 4.35Å; M329-I331 HydrophobicContact CB-CG1 4.36Å; M329-I331 HydrophobicContact CE-CD1 4.22Å
330	G	98.4	Very high	98.6	Very high	55 Å²	55	50.4 Å²	50.4	57%	0.567	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	12.1	-177	0	0	0	0	0	114.6	L327 E328 T332	L327-G330 WeakPolarHBondContact O-CA 3.35Å; L327-G330 PolarHBondContact O-N 2.92Å; E328-G330 PolarHBondContact O-N 2.88Å; G330-T332 PolarHBondContact O-N 2.95Å
331	I	98.8	Very high	98.6	Very high	42 Å²	42	49.3 Å²	49.3	22%	0.215	25%	0.252	C	S	.	.			trans	-87.1	101.9	176.5	-57.9	171.5	0	0	0	107.8	I326 M329 E335 L339 F462	I326-I331 HydrophobicContact CD1-CD1 4.43Å; I326-I331 HydrophobicContact CG2-CB 3.7Å; I326-I331 HydrophobicContact CG2-CD1 4.45Å; I326-I331 HydrophobicContact CG2-CG2 3.79Å; I326-I331 PolarHBondContact O-N 3.05Å; M329-I331 VanDerWaalsContact C-N 3.34Å; M329-I331 HydrophobicContact CB-CD1 4.35Å; M329-I331 HydrophobicContact CB-CG1 4.36Å; M329-I331 HydrophobicContact CE-CD1 4.22Å; I331-E335 HydrophobicContact CG2-CG 4.04Å; I331-L339 HydrophobicContact CD1-CD1 4.37Å; I331-F462 WeakPolarHBondContact O-CE1 3.42Å
332	T	98.6	Very high	98.5	Very high	57 Å²	57	46 Å²	46	35%	0.35	24%	0.241	S	C	.	.			trans	-111.6	-9.9	-176.1	57	0	0	0	0	114.2	L327 G330 D460 F462	L327-T332 HydrophobicContact CD2-CG2 4.09Å; G330-T332 PolarHBondContact O-N 2.95Å; T332-D460 WeakPolarHBondContact CB-O 3.38Å; T332-D460 WeakPolarHBondContact CG2-O 3.17Å; T332-F462 PolarHBondContact O-N 2.9Å
333	G	98.6	Very high	98.5	Very high	8 Å²	8	46.4 Å²	46.4	8%	0.082	24%	0.243	C	C	.	.	S	Bend	trans	-79.5	171.9	179.7	0	0	0	0	0	113.8	E335 G336 F462	G333-E335 WeakPolarHBondContact CA-OE1 3.09Å; G333-E335 VanDerWaalsContact CA-OE2 3.28Å; G333-E335 WeakPolarHBondContact CA-OE2 3.42Å; G333-E335 PolarHBondContact N-OE1 2.87Å; G333-E335 PolarHBondContact O-N 3.21Å; G333-E335 VanDerWaalsContact O-N 3.12Å; G333-G336 WeakPolarHBondContact O-CA 3.36Å; G333-G336 PolarHBondContact O-N 2.85Å; G333-F462 WeakPolarHBondContact O-CB 3.28Å
334	P	98.8	Very high	98.5	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.013	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.6	-176.1	-24.8	37	0	0	0	114.6	G336 H337 Y404 A412 A413 V416 I465	P334-G336 PolarHBondContact O-N 2.93Å; P334-H337 VanDerWaalsContact O-CB 3.22Å; P334-H337 WeakPolarHBondContact O-CB 3.24Å; P334-H337 PolarHBondContact O-N 3.07Å; P334-Y404 HydrophobicContact CB-CD1 4.44Å; P334-A412 HydrophobicContact CB-CB 3.87Å; P334-A412 HydrophobicContact CG-CB 3.73Å; P334-A413 HydrophobicContact CG-CB 4.05Å; P334-V416 HydrophobicContact CB-CG2 3.88Å; P334-I465 HydrophobicContact CB-CD1 4.31Å; P334-I465 HydrophobicContact CG-CD1 3.9Å
335	E	98.8	Very high	98.5	Very high	53 Å²	53	45.8 Å²	45.8	25%	0.248	24%	0.242	C	C	.	.	H	α-helix	trans	-58.7	-31.7	169.1	71.5	-68.9	167.2	0	0	112.7	I331 G333 H337 A338 L339 W405	I331-E335 HydrophobicContact CG2-CG 4.04Å; G333-E335 WeakPolarHBondContact CA-OE1 3.09Å; G333-E335 VanDerWaalsContact CA-OE2 3.28Å; G333-E335 WeakPolarHBondContact CA-OE2 3.42Å; G333-E335 PolarHBondContact N-OE1 2.87Å; G333-E335 PolarHBondContact O-N 3.21Å; G333-E335 VanDerWaalsContact O-N 3.12Å; E335-H337 PolarHBondContact O-N 2.88Å; E335-A338 PolarHBondContact O-N 2.85Å; E335-L339 WeakPolarHBondContact O-CB 3.21Å; E335-L339 VanDerWaalsContact O-CG 3.24Å; E335-L339 WeakPolarHBondContact O-CG 3.37Å; E335-L339 PolarHBondContact O-N 3.47Å; E335-W405 HydrophobicContact CB-CD2 4.13Å; E335-W405 HydrophobicContact CB-CG 4.32Å; E335-W405 HydrophobicContact CB-CZ2 4.19Å
336	G	98.7	Very high	98.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-30	173.5	0	0	0	0	0	113.1	G333 P334 S340 F462	G333-G336 WeakPolarHBondContact O-CA 3.36Å; G333-G336 PolarHBondContact O-N 2.85Å; P334-G336 PolarHBondContact O-N 2.93Å; G336-S340 VanDerWaalsContact O-CB 3.24Å; G336-S340 WeakPolarHBondContact O-CB 3.2Å; G336-S340 PolarHBondContact O-N 3.46Å; G336-S340 PolarHBondContact O-OG 3.24Å; G336-F462 VanDerWaalsContact C-CE2 3.43Å; G336-F462 WeakPolarHBondContact O-CE2 3.49Å; G336-F462 WeakPolarHBondContact O-CZ 3.45Å
337	H	98.6	Very high	98.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.3	-55.2	176.7	-175.8	83	0	0	0	111	P334 E335 L339 S340 R341 T417 F462 E467	P334-H337 VanDerWaalsContact O-CB 3.22Å; P334-H337 WeakPolarHBondContact O-CB 3.24Å; P334-H337 PolarHBondContact O-N 3.07Å; E335-H337 PolarHBondContact O-N 2.88Å; H337-L339 PolarHBondContact O-N 2.55Å; H337-S340 PolarHBondContact O-N 2.69Å; H337-S340 PolarHBondContact O-OG 3.12Å; H337-R341 VanDerWaalsContact CE1-CZ 3.42Å; H337-R341 PolarHBondContact CE1-NH1 3.48Å; H337-R341 VanDerWaalsContact CE1-NH1 3.32Å; H337-R341 PolarHBondContact O-N 2.71Å; H337-T417 PolarHBondContact NE2-O 3.16Å; H337-F462 HydrophobicContact CB-CB 4.5Å; H337-F462 HydrophobicContact CB-CD2 3.75Å; H337-F462 HydrophobicContact CB-CE2 4.41Å; H337-F462 HydrophobicContact CB-CG 4.43Å; H337-F462 VanDerWaalsContact N-CD2 3.28Å; H337-E467 IonicContact CE1-OE1 3.76Å
338	A	98.1	Very high	98.5	Very high	9 Å²	9	42.3 Å²	42.3	7%	0.074	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-41.1	177.5	0	0	0	0	0	112.3	E335 S340 R341 Y404 W405 P420	E335-A338 PolarHBondContact O-N 2.85Å; A338-S340 PolarHBondContact O-N 3.17Å; A338-R341 CarbonylContact O-C 3.56Å; A338-R341 PolarHBondContact O-N 3.48Å; A338-Y404 HydrophobicContact CB-CD2 3.53Å; A338-Y404 HydrophobicContact CB-CE2 3.88Å; A338-Y404 HydrophobicContact CB-CG 4.19Å; A338-W405 HydrophobicContact CB-CH2 4.18Å; A338-W405 HydrophobicContact CB-CZ3 4.42Å; A338-P420 HydrophobicContact CB-CB 4.28Å
339	L	98.6	Very high	98.6	Very high	69 Å²	69	35.6 Å²	35.6	36%	0.361	20%	0.199	S	C	.	.	H	α-helix	trans	-64.8	-27	176.4	-71.2	170.6	0	0	0	113.4	I326 I331 E335 H337 W405	I326-L339 HydrophobicContact CD1-CB 3.88Å; I326-L339 HydrophobicContact CG1-CB 4.37Å; I331-L339 HydrophobicContact CD1-CD1 4.37Å; E335-L339 WeakPolarHBondContact O-CB 3.21Å; E335-L339 VanDerWaalsContact O-CG 3.24Å; E335-L339 WeakPolarHBondContact O-CG 3.37Å; E335-L339 PolarHBondContact O-N 3.47Å; H337-L339 PolarHBondContact O-N 2.55Å; L339-W405 HydrophobicContact CD1-CZ2 4.35Å; L339-W405 HydrophobicContact CD2-CZ2 4.11Å; L339-W405 HydrophobicContact CG-CZ2 4.02Å
340	S	98.5	Very high	98.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-82.7	-10.9	176.9	72.4	0	0	0	0	114.4	E322 Q323 G336 H337 A338	E322-S340 WeakPolarHBondContact CB-O 3.42Å; Q323-S340 WeakPolarHBondContact CG-OG 3.28Å; G336-S340 VanDerWaalsContact O-CB 3.24Å; G336-S340 WeakPolarHBondContact O-CB 3.2Å; G336-S340 PolarHBondContact O-N 3.46Å; G336-S340 PolarHBondContact O-OG 3.24Å; H337-S340 PolarHBondContact O-N 2.69Å; H337-S340 PolarHBondContact O-OG 3.12Å; A338-S340 PolarHBondContact O-N 3.17Å
341	R	98.1	Very high	98.6	Very high	11 Å²	11	33 Å²	33	4%	0.042	17%	0.169	C	C	.	.	S	Bend	trans	-138.5	59.1	-177	-42.1	-168.3	-175.5	163.6	5.5	110.9	E314 I319 H337 A338 S418 P420 E467	E314-R341 WeakPolarHBondContact OE1-CD 3.46Å; I319-R341 HydrophobicContact CD1-CG 4.28Å; I319-R341 HydrophobicContact CG1-CB 4.44Å; I319-R341 HydrophobicContact CG1-CG 3.92Å; I319-R341 HydrophobicContact CG2-CG 4.09Å; H337-R341 VanDerWaalsContact CE1-CZ 3.42Å; H337-R341 PolarHBondContact CE1-NH1 3.48Å; H337-R341 VanDerWaalsContact CE1-NH1 3.32Å; H337-R341 PolarHBondContact O-N 2.71Å; A338-R341 CarbonylContact O-C 3.56Å; A338-R341 PolarHBondContact O-N 3.48Å; R341-S418 PolarHBondContact NH1-OG 2.92Å; R341-P420 HydrophobicContact CB-CG 4Å; R341-P420 VanDerWaalsContact O-CG 3.25Å; R341-P420 WeakPolarHBondContact O-CG 3.27Å; R341-E467 IonicContact CZ-OE1 3.69Å; R341-E467 IonicContact NH1-OE1 3.65Å; R341-E467 PolarHBondContact NH1-OE1 3.46Å; R341-E467 IonicContact NH1-OE2 3.53Å; R341-E467 IonicContact NH2-OE1 2.77Å; R341-E467 PolarHBondContact NH2-OE1 2.91Å
342	P	97.9	Very high	98.6	Very high	48 Å²	48	32.9 Å²	32.9	31%	0.312	17%	0.166	S	C	.	.			trans	-67.6	157.1	179	34.5	-37.6	0	0	0	110	E344 L345	P342-E344 WeakPolarHBondContact CB-OE2 3.4Å; P342-E344 PolarHBondContact O-N 3.41Å; P342-L345 HydrophobicContact CG-CD1 4.09Å; P342-L345 PolarHBondContact O-N 2.99Å
343	E	98.3	Very high	98.6	Very high	55 Å²	55	30.2 Å²	30.2	26%	0.257	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.6	-163.1	56.4	171.3	-99.8	0	0	115.3	L345 E346 A347 S373 S422	E343-L345 PolarHBondContact O-N 3.31Å; E343-E346 PolarHBondContact O-N 2.83Å; E343-E346 VanDerWaalsContact O-N 3.12Å; E343-A347 WeakPolarHBondContact O-CB 3.49Å; E343-A347 PolarHBondContact O-N 2.93Å; E343-S373 VanDerWaalsContact OE1-CB 3.32Å; E343-S373 WeakPolarHBondContact OE1-CB 3.33Å; E343-S373 PolarHBondContact OE1-N 2.92Å; E343-S373 PolarHBondContact OE1-OG 3.13Å; E343-S422 PolarHBondContact OE2-OG 3.08Å; E343-S422 VanDerWaalsContact OE2-OG 3.12Å
344	E	98.6	Very high	98.6	Very high	122 Å²	122	30.4 Å²	30.4	57%	0.57	15%	0.148	S	C	*	.	H	α-helix	trans	-59.4	-27.9	173.1	-57.5	87.5	166.2	0	0	112.8	P342 E348	P342-E344 WeakPolarHBondContact CB-OE2 3.4Å; P342-E344 PolarHBondContact O-N 3.41Å; E344-E348 VanDerWaalsContact O-CB 3.31Å; E344-E348 WeakPolarHBondContact O-CB 3.27Å; E344-E348 PolarHBondContact O-N 3.43Å
345	L	98.7	Very high	98.6	Very high	17 Å²	17	33.3 Å²	33.3	9%	0.089	17%	0.166	C	C	.	.	H	α-helix	trans	-77.8	-29.3	177.9	-81.6	59.5	0	0	0	112.4	E314 N315 L318 I319 P342 E343 A349	E314-L345 CarbonylContact C-O 3.6Å; E314-L345 WeakPolarHBondContact CA-O 3.37Å; N315-L345 HydrophobicContact CB-CB 4.3Å; N315-L345 HydrophobicContact CB-CG 4.26Å; N315-L345 PolarHBondContact N-O 3.11Å; L318-L345 HydrophobicContact CB-CD1 4.46Å; L318-L345 HydrophobicContact CB-CD2 3.57Å; L318-L345 HydrophobicContact CB-CG 3.87Å; L318-L345 HydrophobicContact CD1-CD1 4.21Å; L318-L345 HydrophobicContact CD1-CG 4.11Å; I319-L345 HydrophobicContact CG1-CD2 3.98Å; P342-L345 HydrophobicContact CG-CD1 4.09Å; P342-L345 PolarHBondContact O-N 2.99Å; E343-L345 PolarHBondContact O-N 3.31Å; L345-A349 WeakPolarHBondContact O-CB 3.36Å
346	E	98.9	Very high	98.6	Very high	7 Å²	7	31.6 Å²	31.6	3%	0.033	16%	0.158	C	C	.	.	H	α-helix	trans	-71.1	-51.3	168.5	-171.2	-167.1	171.9	0	0	109	A313 E343 E348 A349 V350 V369 M370 S371 A374 P419	A313-E346 WeakPolarHBondContact O-CA 3.44Å; E343-E346 PolarHBondContact O-N 2.83Å; E343-E346 VanDerWaalsContact O-N 3.12Å; E346-E348 PolarHBondContact O-N 3Å; E346-A349 PolarHBondContact O-N 3.27Å; E346-V350 HydrophobicContact CG-CG2 4.39Å; E346-V350 WeakPolarHBondContact O-CB 3.26Å; E346-V350 WeakPolarHBondContact O-CG2 3.38Å; E346-V350 PolarHBondContact O-N 2.59Å; E346-V369 WeakPolarHBondContact OE1-CA 3.38Å; E346-M370 PolarHBondContact OE1-N 3.13Å; E346-S371 WeakPolarHBondContact OE2-CB 3.48Å; E346-S371 PolarHBondContact OE2-N 3.4Å; E346-S371 VanDerWaalsContact OE2-N 3.15Å; E346-S371 PolarHBondContact OE2-OG 3.01Å; E346-A374 HydrophobicContact CB-CB 4.43Å; E346-A374 VanDerWaalsContact CD-CB 3.44Å; E346-A374 HydrophobicContact CG-CB 3.74Å; E346-A374 WeakPolarHBondContact OE1-CB 3.24Å; E346-P419 HydrophobicContact CG-CB 4.36Å; E346-P419 HydrophobicContact CG-CG 4.03Å
347	A	98.8	Very high	98.5	Very high	8 Å²	8	31.7 Å²	31.7	7%	0.066	16%	0.159	C	C	.	.	H	α-helix	trans	-56.5	-46.6	-178.5	0	0	0	0	0	113.3	E343 V350 F351 I377	E343-A347 WeakPolarHBondContact O-CB 3.49Å; E343-A347 PolarHBondContact O-N 2.93Å; A347-V350 PolarHBondContact O-N 3.12Å; A347-F351 WeakPolarHBondContact O-CB 3.15Å; A347-F351 PolarHBondContact O-N 3.41Å; A347-I377 HydrophobicContact CB-CD1 3.66Å; A347-I377 WeakPolarHBondContact O-CD1 3.25Å
348	E	98.8	Very high	98.3	Very high	67 Å²	67	33.8 Å²	33.8	31%	0.313	18%	0.18	S	C	.	.	H	α-helix	trans	-59.8	-49	176.5	-173.2	-76	133	0	0	111.6	N315 E344 E346 V350 F351 R352	N315-E348 PolarHBondContact ND2-OE2 2.85Å; E344-E348 VanDerWaalsContact O-CB 3.31Å; E344-E348 WeakPolarHBondContact O-CB 3.27Å; E344-E348 PolarHBondContact O-N 3.43Å; E346-E348 PolarHBondContact O-N 3Å; E348-V350 PolarHBondContact O-N 3.2Å; E348-F351 WeakPolarHBondContact O-CB 3.24Å; E348-F351 PolarHBondContact O-N 3.22Å; E348-R352 WeakPolarHBondContact O-CB 3.46Å; E348-R352 PolarHBondContact O-N 2.82Å; E348-R352 IonicContact OE1-CZ 2.67Å; E348-R352 IonicContact OE1-NE 2.73Å; E348-R352 PolarHBondContact OE1-NE 3.49Å; E348-R352 IonicContact OE1-NH2 3.71Å; E348-R352 IonicContact OE2-CZ 2.77Å; E348-R352 IonicContact OE2-NE 3.3Å; E348-R352 PolarHBondContact OE2-NE 3.05Å; E348-R352 IonicContact OE2-NH2 2.65Å; E348-R352 PolarHBondContact OE2-NH2 2.72Å
349	A	98.9	Very high	98.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.5	-40.5	-178.5	0	0	0	0	0	111.8	M282 A313 E314 L345 E346 R352 A353	M282-A349 HydrophobicContact CB-CB 4.45Å; M282-A349 HydrophobicContact CE-CB 3.84Å; M282-A349 WeakPolarHBondContact CE-O 3.4Å; M282-A349 HydrophobicContact SD-CB 4.03Å; A313-A349 VanDerWaalsContact C-CB 3.43Å; A313-A349 HydrophobicContact CB-CB 4.08Å; E314-A349 VanDerWaalsContact C-CB 3.45Å; L345-A349 WeakPolarHBondContact O-CB 3.36Å; E346-A349 PolarHBondContact O-N 3.27Å; A349-R352 PolarHBondContact O-N 3.41Å; A349-A353 WeakPolarHBondContact O-CB 3.37Å; A349-A353 PolarHBondContact O-N 2.52Å
350	V	98.9	Very high	98	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-45.6	173.5	169.7	0	0	0	0	111.1	A313 E346 A347 E348 R352 A353 I354 I366 A374 I377 I378	A313-V350 HydrophobicContact CB-CG2 3.6Å; E346-V350 HydrophobicContact CG-CG2 4.39Å; E346-V350 WeakPolarHBondContact O-CB 3.26Å; E346-V350 WeakPolarHBondContact O-CG2 3.38Å; E346-V350 PolarHBondContact O-N 2.59Å; A347-V350 PolarHBondContact O-N 3.12Å; E348-V350 PolarHBondContact O-N 3.2Å; V350-R352 VanDerWaalsContact C-N 3.35Å; V350-R352 PolarHBondContact O-N 3.36Å; V350-A353 PolarHBondContact O-N 3.15Å; V350-I354 HydrophobicContact CG1-CD1 3.72Å; V350-I354 WeakPolarHBondContact O-CB 3.39Å; V350-I354 WeakPolarHBondContact O-CD1 3.39Å; V350-I354 WeakPolarHBondContact O-CG1 3.37Å; V350-I354 PolarHBondContact O-N 2.83Å; V350-I366 HydrophobicContact CG1-CG1 4.3Å; V350-I366 HydrophobicContact CG2-CG2 3.74Å; V350-A374 HydrophobicContact CG2-CB 4.18Å; V350-I377 HydrophobicContact CG1-CB 4.38Å; V350-I377 HydrophobicContact CG1-CG2 3.95Å; V350-I378 HydrophobicContact CG1-CD1 4.28Å; V350-I378 HydrophobicContact CG1-CG1 3.81Å
351	F	98.8	Very high	97.8	Very high	118 Å²	118	41.6 Å²	41.6	52%	0.518	21%	0.206	S	C	.	.	H	α-helix	trans	-60	-43.7	175.4	174.6	-99.5	0	0	0	112.3	A347 E348 T355 I377	A347-F351 WeakPolarHBondContact O-CB 3.15Å; A347-F351 PolarHBondContact O-N 3.41Å; E348-F351 WeakPolarHBondContact O-CB 3.24Å; E348-F351 PolarHBondContact O-N 3.22Å; F351-T355 WeakPolarHBondContact O-CB 3.32Å; F351-T355 PolarHBondContact O-N 3.45Å; F351-T355 PolarHBondContact O-OG1 2.69Å; F351-I377 HydrophobicContact CB-CD1 4.26Å; F351-I377 HydrophobicContact CB-CG2 3.88Å; F351-I377 HydrophobicContact CD2-CG2 4.33Å
352	R	98.7	Very high	97.6	Very high	40 Å²	40	41.2 Å²	41.2	15%	0.151	21%	0.206	C	C	.	.	H	α-helix	trans	-68.5	-44.4	-180	178.4	155.6	49.2	93.8	2.5	112.1	M282 D292 N315 E348 A349 V350 I354 T355 I356	M282-R352 HydrophobicContact CE-CB 4.1Å; M282-R352 HydrophobicContact CE-CG 4.05Å; M282-R352 VanDerWaalsContact CE-CZ 3.4Å; M282-R352 VanDerWaalsContact CE-NH1 3.34Å; D292-R352 WeakPolarHBondContact OD1-CD 3.49Å; D292-R352 IonicContact OD1-CZ 3.01Å; D292-R352 IonicContact OD1-NE 2.78Å; D292-R352 IonicContact OD1-NH1 3.91Å; D292-R352 PolarHBondContact OD1-NH1 2.62Å; D292-R352 WeakPolarHBondContact OD2-CD 3.48Å; N315-R352 PolarHBondContact ND2-NH2 3.26Å; E348-R352 WeakPolarHBondContact O-CB 3.46Å; E348-R352 PolarHBondContact O-N 2.82Å; E348-R352 IonicContact OE1-CZ 2.67Å; E348-R352 IonicContact OE1-NE 2.73Å; E348-R352 PolarHBondContact OE1-NE 3.49Å; E348-R352 IonicContact OE1-NH2 3.71Å; E348-R352 IonicContact OE2-CZ 2.77Å; E348-R352 IonicContact OE2-NE 3.3Å; E348-R352 PolarHBondContact OE2-NE 3.05Å; E348-R352 IonicContact OE2-NH2 2.65Å; E348-R352 PolarHBondContact OE2-NH2 2.72Å; A349-R352 PolarHBondContact O-N 3.41Å; V350-R352 VanDerWaalsContact C-N 3.35Å; V350-R352 PolarHBondContact O-N 3.36Å; R352-I354 PolarHBondContact O-N 2.96Å; R352-T355 WeakPolarHBondContact O-CB 3.45Å; R352-T355 PolarHBondContact O-N 3.05Å; R352-T355 VanDerWaalsContact O-N 3.14Å; R352-I356 HydrophobicContact CG-CD1 4.05Å; R352-I356 WeakPolarHBondContact O-CG1 3.45Å; R352-I356 PolarHBondContact O-N 3.14Å
353	A	98.8	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-56.6	-49.1	173.5	0	0	0	0	0	112.1	M282 V311 A349 V350 T355 I356 A357 I366	M282-A353 HydrophobicContact SD-CB 3.81Å; V311-A353 HydrophobicContact CG1-CB 4.07Å; A349-A353 WeakPolarHBondContact O-CB 3.37Å; A349-A353 PolarHBondContact O-N 2.52Å; V350-A353 PolarHBondContact O-N 3.15Å; A353-T355 VanDerWaalsContact C-N 3.29Å; A353-T355 PolarHBondContact O-N 3.16Å; A353-I356 PolarHBondContact O-N 3.44Å; A353-A357 VanDerWaalsContact O-CB 3.31Å; A353-A357 WeakPolarHBondContact O-CB 3.4Å; A353-A357 PolarHBondContact O-N 2.85Å; A353-I366 HydrophobicContact CB-CD1 4.35Å
354	I	98.6	Very high	97.4	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.062	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-38.2	176.7	-69.5	167.2	0	0	0	111.2	V350 R352 G358 V364 I377 I378 A381 P386 V388	V350-I354 HydrophobicContact CG1-CD1 3.72Å; V350-I354 WeakPolarHBondContact O-CB 3.39Å; V350-I354 WeakPolarHBondContact O-CD1 3.39Å; V350-I354 WeakPolarHBondContact O-CG1 3.37Å; V350-I354 PolarHBondContact O-N 2.83Å; R352-I354 PolarHBondContact O-N 2.96Å; I354-G358 PolarHBondContact O-N 3.34Å; I354-V364 HydrophobicContact CG1-CG1 4.29Å; I354-I377 HydrophobicContact CD1-CG2 4.08Å; I354-I378 HydrophobicContact CD1-CG1 4.26Å; I354-A381 HydrophobicContact CD1-CB 4Å; I354-A381 HydrophobicContact CG2-CB 3.65Å; I354-P386 HydrophobicContact CG2-CB 4.46Å; I354-V388 HydrophobicContact CD1-CB 4.39Å; I354-V388 HydrophobicContact CD1-CG1 4.41Å; I354-V388 HydrophobicContact CD1-CG2 3.86Å; I354-V388 HydrophobicContact CG1-CB 4.22Å; I354-V388 HydrophobicContact CG1-CG2 3.85Å
355	T	98.4	Very high	97.4	Very high	63 Å²	63	30.7 Å²	30.7	39%	0.387	15%	0.152	S	C	.	.	H	α-helix	trans	-65.1	-48.3	178.1	-63.8	0	0	0	0	111.2	F351 R352 A353 G358 R359	F351-T355 WeakPolarHBondContact O-CB 3.32Å; F351-T355 PolarHBondContact O-N 3.45Å; F351-T355 PolarHBondContact O-OG1 2.69Å; R352-T355 WeakPolarHBondContact O-CB 3.45Å; R352-T355 PolarHBondContact O-N 3.05Å; R352-T355 VanDerWaalsContact O-N 3.14Å; A353-T355 VanDerWaalsContact C-N 3.29Å; A353-T355 PolarHBondContact O-N 3.16Å; T355-G358 PolarHBondContact O-N 3.14Å; T355-R359 WeakPolarHBondContact O-CG 3.48Å; T355-R359 PolarHBondContact O-N 3.35Å
356	I	98.4	Very high	97.5	Very high	18 Å²	18	30 Å²	30	9%	0.092	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-50.2	176.6	-64.1	166.7	0	0	0	110.2	D292 L295 Y296 F299 R352 A353 G358 R359 I360	D292-I356 HydrophobicContact CB-CD1 4.26Å; L295-I356 HydrophobicContact CB-CD1 4.12Å; L295-I356 HydrophobicContact CD1-CD1 4.07Å; Y296-I356 HydrophobicContact CD2-CG2 4.31Å; F299-I356 HydrophobicContact CD2-CB 4.37Å; F299-I356 HydrophobicContact CD2-CG2 3.73Å; F299-I356 HydrophobicContact CE2-CB 4.29Å; F299-I356 HydrophobicContact CE2-CG2 4.05Å; R352-I356 HydrophobicContact CG-CD1 4.05Å; R352-I356 WeakPolarHBondContact O-CG1 3.45Å; R352-I356 PolarHBondContact O-N 3.14Å; A353-I356 PolarHBondContact O-N 3.44Å; I356-G358 VanDerWaalsContact C-N 3.3Å; I356-G358 PolarHBondContact O-N 3.11Å; I356-R359 PolarHBondContact O-N 2.86Å; I356-R359 VanDerWaalsContact O-N 3.13Å; I356-I360 HydrophobicContact CG2-CD1 3.9Å; I356-I360 WeakPolarHBondContact O-CG1 3.13Å; I356-I360 PolarHBondContact O-N 3.42Å; I356-I360 VanDerWaalsContact O-N 3.17Å
357	A	97.4	Very high	97.4	Very high	2 Å²	2	29.7 Å²	29.7	2%	0.017	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-38.4	177.8	0	0	0	0	0	112.8	F299 A353 I360 N361 C362 V364	F299-A357 HydrophobicContact CD2-CB 4.07Å; F299-A357 HydrophobicContact CE2-CB 4.1Å; A353-A357 VanDerWaalsContact O-CB 3.31Å; A353-A357 WeakPolarHBondContact O-CB 3.4Å; A353-A357 PolarHBondContact O-N 2.85Å; A357-I360 PolarHBondContact O-N 2.7Å; A357-N361 WeakPolarHBondContact O-CA 3.25Å; A357-N361 PolarHBondContact O-N 2.88Å; A357-C362 WeakPolarHBondContact CA-SG 3.24Å; A357-C362 VanDerWaalsContact CB-SG 3.56Å; A357-C362 PolarHBondContact O-N 2.85Å; A357-V364 HydrophobicContact CB-CB 3.74Å; A357-V364 HydrophobicContact CB-CG1 3.82Å; A357-V364 HydrophobicContact CB-CG2 4.35Å
358	G	94.8	Very high	97.4	Very high	43 Å²	43	30 Å²	30	44%	0.443	15%	0.147	S	C	.	.	H	α-helix	trans	-64.4	-37.3	175.2	0	0	0	0	0	113.5	I354 T355 I356 I360 N361	I354-G358 PolarHBondContact O-N 3.34Å; T355-G358 PolarHBondContact O-N 3.14Å; I356-G358 VanDerWaalsContact C-N 3.3Å; I356-G358 PolarHBondContact O-N 3.11Å; G358-I360 VanDerWaalsContact C-N 3.34Å; G358-N361 PolarHBondContact O-N 3.18Å
359	R	94	Very high	97.4	Very high	197 Å²	197	26.8 Å²	26.8	74%	0.743	13%	0.132	S	C	*	.	H	α-helix	trans	-66.9	-34.7	173.7	-68.4	-54.8	-56.6	178.6	-0.2	112.6	T355 I356	T355-R359 WeakPolarHBondContact O-CG 3.48Å; T355-R359 PolarHBondContact O-N 3.35Å; I356-R359 PolarHBondContact O-N 2.86Å; I356-R359 VanDerWaalsContact O-N 3.13Å
360	I	94.9	Very high	97.4	Very high	14 Å²	14	26.8 Å²	26.8	7%	0.072	13%	0.132	C	C	.	.	H	α-helix	trans	-85	-19.6	-179.5	-64.3	165.8	0	0	0	111.7	Y296 F299 K303 I356 A357 G358 C362	Y296-I360 HydrophobicContact CD2-CD1 3.67Å; Y296-I360 HydrophobicContact CD2-CG1 3.83Å; Y296-I360 HydrophobicContact CE2-CD1 3.96Å; Y296-I360 HydrophobicContact CE2-CG1 3.57Å; Y296-I360 HydrophobicContact CG-CD1 4.02Å; Y296-I360 VanDerWaalsContact O-CD1 3.29Å; Y296-I360 WeakPolarHBondContact O-CD1 3.5Å; F299-I360 HydrophobicContact CB-CD1 3.47Å; F299-I360 VanDerWaalsContact CB-CD1 3.47Å; F299-I360 HydrophobicContact CD2-CD1 4.35Å; F299-I360 HydrophobicContact CG-CD1 4.4Å; K303-I360 HydrophobicContact CD-CG2 3.89Å; K303-I360 PolarHBondContact NZ-O 3.4Å; I356-I360 HydrophobicContact CG2-CD1 3.9Å; I356-I360 WeakPolarHBondContact O-CG1 3.13Å; I356-I360 PolarHBondContact O-N 3.42Å; I356-I360 VanDerWaalsContact O-N 3.17Å; A357-I360 PolarHBondContact O-N 2.7Å; G358-I360 VanDerWaalsContact C-N 3.34Å; I360-C362 HydrophobicContact CG2-CB 4.13Å
361	N	94.6	Very high	97.3	Very high	31 Å²	31	26.9 Å²	26.9	17%	0.166	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	52.7	-168.4	-178.3	51.5	0	0	0	111.6	K303 A357 G358 V596 R599 N600	K303-N361 WeakPolarHBondContact CE-O 3.49Å; K303-N361 PolarHBondContact NZ-O 2.97Å; A357-N361 WeakPolarHBondContact O-CA 3.25Å; A357-N361 PolarHBondContact O-N 2.88Å; G358-N361 PolarHBondContact O-N 3.18Å; N361-V596 PolarHBondContact ND2-O 3.27Å; N361-R599 VanDerWaalsContact ND2-CB 3.27Å; N361-R599 WeakPolarHBondContact ND2-CB 3.35Å; N361-R599 WeakPolarHBondContact OD1-CD 3.35Å; N361-N600 PolarHBondContact ND2-OD1 3.11Å
362	C	95.1	Very high	97.4	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.027	12%	0.117	C	C	.	.			trans	-106.6	159.6	168.4	61.6	0	0	0	0	111	K303 I309 A357 I360	K303-C362 HydrophobicContact CB-CB 3.81Å; K303-C362 HydrophobicContact CD-CB 3.95Å; K303-C362 HydrophobicContact CG-CB 3.94Å; I309-C362 HydrophobicContact CD1-CB 3.87Å; A357-C362 WeakPolarHBondContact CA-SG 3.24Å; A357-C362 VanDerWaalsContact CB-SG 3.56Å; A357-C362 PolarHBondContact O-N 2.85Å; I360-C362 HydrophobicContact CG2-CB 4.13Å
363	P	95.1	Very high	97.4	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	12%	0.119	C	C	.	.			trans	-77.1	135	166.5	32.4	-30.9	0	0	0	110	L387 L592 Y593	P363-L387 WeakPolarHBondContact CA-O 3.49Å; P363-L387 HydrophobicContact CB-CB 4.19Å; P363-L592 HydrophobicContact CB-CB 4.3Å; P363-L592 HydrophobicContact CB-CD1 4.32Å; P363-L592 HydrophobicContact CG-CB 4.34Å; P363-L592 HydrophobicContact CG-CD1 4.35Å; P363-Y593 HydrophobicContact CG-CE2 3.87Å
364	V	97.3	Very high	97.4	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.018	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.6	175.7	69.9	0	0	0	0	110.4	V311 I354 A357 I366 L387 V388 F389	V311-V364 HydrophobicContact CB-CG2 4.5Å; V311-V364 HydrophobicContact CG2-CG2 3.46Å; V311-V364 VanDerWaalsContact CG2-CG2 3.46Å; I354-V364 HydrophobicContact CG1-CG1 4.29Å; A357-V364 HydrophobicContact CB-CB 3.74Å; A357-V364 HydrophobicContact CB-CG1 3.82Å; A357-V364 HydrophobicContact CB-CG2 4.35Å; V364-I366 HydrophobicContact CG2-CD1 4.25Å; V364-L387 PolarHBondContact N-O 3.19Å; V364-V388 HydrophobicContact CG1-CB 3.92Å; V364-V388 HydrophobicContact CG1-CG2 3.95Å; V364-V388 VanDerWaalsContact O-CA 3.32Å; V364-V388 WeakPolarHBondContact O-CA 3.46Å; V364-F389 PolarHBondContact O-N 3.26Å
365	Y	98.7	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	115.6	-176.3	-175.6	-75.3	0	0	0	108	V186 I309 L310 V311 T367 F389 E391 V442 I505 F506	V186-Y365 WeakPolarHBondContact CG2-OH 3.4Å; I309-Y365 WeakPolarHBondContact O-CB 3.27Å; I309-Y365 PolarHBondContact O-N 3.28Å; L310-Y365 CarbonylContact C-O 3.57Å; L310-Y365 VanDerWaalsContact CA-O 3.31Å; L310-Y365 WeakPolarHBondContact CA-O 3.26Å; L310-Y365 HydrophobicContact CD2-CD1 4.35Å; L310-Y365 HydrophobicContact CG-CD1 3.92Å; L310-Y365 HydrophobicContact CG-CG 4.4Å; V311-Y365 PolarHBondContact N-O 2.85Å; Y365-T367 HydrophobicContact CD1-CG2 3.88Å; Y365-T367 HydrophobicContact CE1-CG2 3.86Å; Y365-F389 HydrophobicContact CD2-CB 3.67Å; Y365-F389 HydrophobicContact CD2-CG 4.4Å; Y365-F389 HydrophobicContact CE2-CB 4.27Å; Y365-F389 HydrophobicContact CG-CB 4.32Å; Y365-E391 HydrophobicContact CE1-CB 3.75Å; Y365-E391 HydrophobicContact CE1-CG 4.39Å; Y365-E391 WeakPolarHBondContact CE1-OE2 3.16Å; Y365-E391 VanDerWaalsContact CZ-OE2 3.31Å; Y365-E391 WeakPolarHBondContact OH-CB 3.49Å; Y365-E391 WeakPolarHBondContact OH-CG 3.45Å; Y365-E391 PolarHBondContact OH-OE2 3Å; Y365-V442 HydrophobicContact CE2-CG2 4.26Å; Y365-I505 HydrophobicContact CD2-CG2 4.1Å; Y365-I505 HydrophobicContact CE2-CD1 4.25Å; Y365-I505 HydrophobicContact CE2-CG2 4.21Å; Y365-F506 HydrophobicContact CD2-CZ 4.33Å; Y365-F506 HydrophobicContact CE2-CE2 4.28Å; Y365-F506 AromaticContact CE2-CZ 3.96Å; Y365-F506 HydrophobicContact CE2-CZ 3.96Å
366	I	98.8	Very high	97.4	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.6	-179.5	-51.8	-56.3	0	0	0	108.2	V311 A313 V350 A353 V364 V369 I378 V388 F389 E391	V311-I366 HydrophobicContact CB-CD1 4.3Å; A313-I366 HydrophobicContact CB-CG2 4.45Å; V350-I366 HydrophobicContact CG1-CG1 4.3Å; V350-I366 HydrophobicContact CG2-CG2 3.74Å; A353-I366 HydrophobicContact CB-CD1 4.35Å; V364-I366 HydrophobicContact CG2-CD1 4.25Å; I366-V369 HydrophobicContact CB-CG2 4.24Å; I366-V369 HydrophobicContact CG2-CG2 3.87Å; I366-I378 HydrophobicContact CB-CD1 3.99Å; I366-I378 HydrophobicContact CG1-CD1 4.01Å; I366-I378 HydrophobicContact CG1-CG1 4.29Å; I366-I378 HydrophobicContact CG2-CD1 4.22Å; I366-V388 HydrophobicContact CG1-CG2 4Å; I366-F389 PolarHBondContact N-O 3.43Å; I366-E391 PolarHBondContact O-N 2.78Å
367	T	98.3	Very high	97.4	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	12%	0.121	C	C	.	.			trans	-84.4	144.9	178.1	53.2	0	0	0	0	110.8	Q279 L310 V311 Y365	Q279-T367 PolarHBondContact OE1-OG1 3.17Å; L310-T367 HydrophobicContact CB-CG2 3.95Å; L310-T367 HydrophobicContact CD2-CG2 3.73Å; L310-T367 HydrophobicContact CG-CG2 4.12Å; V311-T367 PolarHBondContact O-N 3.41Å; V311-T367 PolarHBondContact O-OG1 2.93Å; Y365-T367 HydrophobicContact CD1-CG2 3.88Å; Y365-T367 HydrophobicContact CE1-CG2 3.86Å
368	K	97.9	Very high	97.5	Very high	14 Å²	14	23.4 Å²	23.4	6%	0.061	12%	0.12	C	C	.	.			trans	51.7	65	175.6	-55.7	175.2	-72.8	171.3	0	112.3	H312 M370 E391 I393 S418 P419	H312-K368 PolarHBondContact ND1-NZ 3.44Å; K368-M370 HydrophobicContact CB-SD 4.37Å; K368-M370 WeakPolarHBondContact O-CG 3.45Å; K368-M370 PolarHBondContact O-N 3.29Å; K368-E391 CarbonylContact C-O 3.59Å; K368-E391 WeakPolarHBondContact CA-O 3.32Å; K368-E391 PolarHBondContact N-O 2.71Å; K368-E391 VanDerWaalsContact N-O 3.15Å; K368-I393 HydrophobicContact CB-CG2 4.49Å; K368-I393 HydrophobicContact CG-CD1 4.33Å; K368-I393 HydrophobicContact CG-CG2 3.98Å; K368-S418 VanDerWaalsContact CE-O 3.3Å; K368-S418 WeakPolarHBondContact CE-O 3.45Å; K368-S418 PolarHBondContact NZ-O 2.84Å; K368-P419 WeakPolarHBondContact O-CD 3.35Å
369	V	98.8	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.105	C	C	.	.			trans	-72.8	112.3	170.7	-178.2	0	0	0	0	108.4	E346 I366 A374 A375 I378 E391 S396 L431 L440	E346-V369 WeakPolarHBondContact OE1-CA 3.38Å; I366-V369 HydrophobicContact CB-CG2 4.24Å; I366-V369 HydrophobicContact CG2-CG2 3.87Å; V369-A374 HydrophobicContact CG1-CB 4.34Å; V369-A375 HydrophobicContact CG1-CB 3.96Å; V369-I378 HydrophobicContact CG1-CD1 4.34Å; V369-I378 HydrophobicContact CG2-CD1 3.63Å; V369-E391 PolarHBondContact N-O 2.66Å; V369-S396 PolarHBondContact O-OG 3.24Å; V369-L431 HydrophobicContact CG1-CD2 4.2Å; V369-L440 HydrophobicContact CG1-CD2 4.27Å; V369-L440 HydrophobicContact CG2-CD2 4.31Å
370	M	98.6	Very high	97.8	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.093	C	C	.	.			trans	-111.8	-16.5	-170.7	-56.2	-62.3	-74.6	0	0	114.1	E346 K368 I393 T417 P419 P420 L421 T427	E346-M370 PolarHBondContact OE1-N 3.13Å; K368-M370 HydrophobicContact CB-SD 4.37Å; K368-M370 WeakPolarHBondContact O-CG 3.45Å; K368-M370 PolarHBondContact O-N 3.29Å; M370-I393 HydrophobicContact CE-CD1 4.21Å; M370-I393 HydrophobicContact CE-CG1 4.48Å; M370-I393 HydrophobicContact SD-CD1 3.76Å; M370-I393 HydrophobicContact SD-CG1 3.7Å; M370-T417 HydrophobicContact CE-CG2 4.02Å; M370-P419 HydrophobicContact CB-CB 4.01Å; M370-P419 HydrophobicContact CB-CG 4.44Å; M370-P419 HydrophobicContact CG-CB 3.68Å; M370-P419 HydrophobicContact CG-CG 3.82Å; M370-P419 WeakPolarHBondContact CG-O 3.3Å; M370-P420 WeakPolarHBondContact CB-O 3.33Å; M370-L421 HydrophobicContact CE-CD2 3.49Å; M370-L421 VanDerWaalsContact CE-CD2 3.49Å; M370-L421 HydrophobicContact CE-CG 3.77Å; M370-T427 WeakPolarHBondContact O-CG2 3.46Å
371	S	98.6	Very high	98	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.014	9%	0.093	C	C	.	.	S	Bend	trans	-124.2	159.7	-175.8	65.8	0	0	0	0	114.5	E346 A374 A375	E346-S371 WeakPolarHBondContact OE2-CB 3.48Å; E346-S371 PolarHBondContact OE2-N 3.4Å; E346-S371 VanDerWaalsContact OE2-N 3.15Å; E346-S371 PolarHBondContact OE2-OG 3.01Å; S371-A374 VanDerWaalsContact OG-CB 3.27Å; S371-A374 WeakPolarHBondContact OG-CB 3.22Å; S371-A374 PolarHBondContact OG-N 3.2Å; S371-A375 WeakPolarHBondContact O-CB 3.35Å; S371-A375 PolarHBondContact O-N 2.97Å
372	K	98.8	Very high	98.1	Very high	40 Å²	40	19 Å²	19	17%	0.174	10%	0.099	C	C	.	.	H	α-helix	trans	-66.1	-45.5	176.6	-57.5	-178.4	178.9	169.9	0	111.5	A374 A375 D376 D424 T426 T427 Y430	K372-A374 PolarHBondContact O-N 3.34Å; K372-A375 CarbonylContact O-C 3.57Å; K372-A375 PolarHBondContact O-N 2.57Å; K372-A375 VanDerWaalsContact O-N 3.12Å; K372-D376 PolarHBondContact O-N 3.22Å; K372-D424 WeakPolarHBondContact CE-OD2 3.41Å; K372-D424 IonicContact NZ-OD1 3.58Å; K372-D424 IonicContact NZ-OD2 3.58Å; K372-D424 PolarHBondContact NZ-OD2 3.12Å; K372-T426 PolarHBondContact NZ-OG1 3.09Å; K372-T427 WeakPolarHBondContact CE-OG1 3.45Å; K372-T427 HydrophobicContact CG-CG2 4.09Å; K372-Y430 HydrophobicContact CB-CD1 3.77Å; K372-Y430 HydrophobicContact CB-CE1 4Å; K372-Y430 HydrophobicContact CD-CD1 4.11Å; K372-Y430 HydrophobicContact CD-CG 4.05Å; K372-Y430 HydrophobicContact CG-CD1 3.6Å; K372-Y430 HydrophobicContact CG-CE1 4.3Å; K372-Y430 HydrophobicContact CG-CG 3.94Å
373	S	98.7	Very high	98.1	Very high	29 Å²	29	27.7 Å²	27.7	20%	0.203	14%	0.136	C	C	.	.	H	α-helix	trans	-63.8	-38	-177.4	49.9	0	0	0	0	112.8	E343 I377	E343-S373 VanDerWaalsContact OE1-CB 3.32Å; E343-S373 WeakPolarHBondContact OE1-CB 3.33Å; E343-S373 PolarHBondContact OE1-N 2.92Å; E343-S373 PolarHBondContact OE1-OG 3.13Å; S373-I377 WeakPolarHBondContact O-CD1 3.27Å; S373-I377 VanDerWaalsContact O-CG1 3.28Å; S373-I377 WeakPolarHBondContact O-CG1 3.36Å; S373-I377 PolarHBondContact O-N 3.12Å
374	A	98.8	Very high	98.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.6	-44.9	170.1	0	0	0	0	0	112.2	E346 V350 V369 S371 K372 D376 I377 I378	E346-A374 HydrophobicContact CB-CB 4.43Å; E346-A374 VanDerWaalsContact CD-CB 3.44Å; E346-A374 HydrophobicContact CG-CB 3.74Å; E346-A374 WeakPolarHBondContact OE1-CB 3.24Å; V350-A374 HydrophobicContact CG2-CB 4.18Å; V369-A374 HydrophobicContact CG1-CB 4.34Å; S371-A374 VanDerWaalsContact OG-CB 3.27Å; S371-A374 WeakPolarHBondContact OG-CB 3.22Å; S371-A374 PolarHBondContact OG-N 3.2Å; K372-A374 PolarHBondContact O-N 3.34Å; A374-D376 PolarHBondContact O-N 3.4Å; A374-I377 PolarHBondContact O-N 3.34Å; A374-I378 WeakPolarHBondContact O-CG1 3.43Å; A374-I378 PolarHBondContact O-N 2.87Å; A374-I378 VanDerWaalsContact O-N 3.13Å
375	A	98.8	Very high	97.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.3	-37.4	179.1	0	0	0	0	0	113	V369 S371 K372 I377 I378 A379 L431 L434 L440	V369-A375 HydrophobicContact CG1-CB 3.96Å; S371-A375 WeakPolarHBondContact O-CB 3.35Å; S371-A375 PolarHBondContact O-N 2.97Å; K372-A375 CarbonylContact O-C 3.57Å; K372-A375 PolarHBondContact O-N 2.57Å; K372-A375 VanDerWaalsContact O-N 3.12Å; A375-I377 VanDerWaalsContact C-N 3.34Å; A375-I377 PolarHBondContact O-N 2.86Å; A375-I378 WeakPolarHBondContact O-CB 3.46Å; A375-I378 PolarHBondContact O-N 2.88Å; A375-A379 PolarHBondContact O-N 3.38Å; A375-L431 HydrophobicContact CB-CD2 3.55Å; A375-L434 HydrophobicContact CB-CD2 3.51Å; A375-L440 HydrophobicContact CB-CD1 4.3Å; A375-L440 HydrophobicContact CB-CD2 4.41Å
376	D	98.8	Very high	97.3	Very high	73 Å²	73	37.3 Å²	37.3	39%	0.39	19%	0.187	S	C	.	.	H	α-helix	trans	-61.7	-39.9	174	-84.1	-21.1	0	0	0	112.5	K372 A374 I378 A379 L380 Y430	K372-D376 PolarHBondContact O-N 3.22Å; A374-D376 PolarHBondContact O-N 3.4Å; D376-I378 VanDerWaalsContact C-N 3.34Å; D376-A379 PolarHBondContact O-N 3.45Å; D376-L380 VanDerWaalsContact O-CB 3.24Å; D376-L380 WeakPolarHBondContact O-CB 3.42Å; D376-L380 PolarHBondContact O-N 2.86Å; D376-Y430 PolarHBondContact OD1-OH 3.07Å
377	I	98.8	Very high	97	Very high	37 Å²	37	37.6 Å²	37.6	19%	0.19	19%	0.189	C	C	.	.	H	α-helix	trans	-66.9	-39.2	177	-70.3	165.4	0	0	0	110.4	A347 V350 F351 I354 S373 A374 A375 A381	A347-I377 HydrophobicContact CB-CD1 3.66Å; A347-I377 WeakPolarHBondContact O-CD1 3.25Å; V350-I377 HydrophobicContact CG1-CB 4.38Å; V350-I377 HydrophobicContact CG1-CG2 3.95Å; F351-I377 HydrophobicContact CB-CD1 4.26Å; F351-I377 HydrophobicContact CB-CG2 3.88Å; F351-I377 HydrophobicContact CD2-CG2 4.33Å; I354-I377 HydrophobicContact CD1-CG2 4.08Å; S373-I377 WeakPolarHBondContact O-CD1 3.27Å; S373-I377 VanDerWaalsContact O-CG1 3.28Å; S373-I377 WeakPolarHBondContact O-CG1 3.36Å; S373-I377 PolarHBondContact O-N 3.12Å; A374-I377 PolarHBondContact O-N 3.34Å; A375-I377 VanDerWaalsContact C-N 3.34Å; A375-I377 PolarHBondContact O-N 2.86Å; I377-A381 WeakPolarHBondContact O-CB 3.45Å; I377-A381 PolarHBondContact O-N 3.06Å
378	I	98.8	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-51.8	172.5	-66.2	167.3	0	0	0	110.1	V350 I354 I366 V369 A374 A375 D376 L380 A381 R382 V388 D439 L440	V350-I378 HydrophobicContact CG1-CD1 4.28Å; V350-I378 HydrophobicContact CG1-CG1 3.81Å; I354-I378 HydrophobicContact CD1-CG1 4.26Å; I366-I378 HydrophobicContact CB-CD1 3.99Å; I366-I378 HydrophobicContact CG1-CD1 4.01Å; I366-I378 HydrophobicContact CG1-CG1 4.29Å; I366-I378 HydrophobicContact CG2-CD1 4.22Å; V369-I378 HydrophobicContact CG1-CD1 4.34Å; V369-I378 HydrophobicContact CG2-CD1 3.63Å; A374-I378 WeakPolarHBondContact O-CG1 3.43Å; A374-I378 PolarHBondContact O-N 2.87Å; A374-I378 VanDerWaalsContact O-N 3.13Å; A375-I378 WeakPolarHBondContact O-CB 3.46Å; A375-I378 PolarHBondContact O-N 2.88Å; D376-I378 VanDerWaalsContact C-N 3.34Å; I378-L380 PolarHBondContact O-N 3.15Å; I378-A381 PolarHBondContact O-N 2.63Å; I378-R382 HydrophobicContact CG2-CG 4.33Å; I378-R382 VanDerWaalsContact O-CG 3.27Å; I378-R382 WeakPolarHBondContact O-CG 3.33Å; I378-R382 PolarHBondContact O-N 2.77Å; I378-V388 HydrophobicContact CG1-CG2 4.3Å; I378-V388 HydrophobicContact CG2-CG1 4.3Å; I378-V388 HydrophobicContact CG2-CG2 4.21Å; I378-D439 WeakPolarHBondContact CG2-O 3.36Å; I378-L440 HydrophobicContact CD1-CD2 4.19Å; I378-L440 HydrophobicContact CG2-CD2 4.4Å
379	A	98.5	Very high	97	Very high	16 Å²	16	37.5 Å²	37.5	13%	0.132	19%	0.188	C	C	.	.	H	α-helix	trans	-57	-47.8	178.6	0	0	0	0	0	112.2	A375 D376 A381 R382 K383 D439	A375-A379 PolarHBondContact O-N 3.38Å; D376-A379 PolarHBondContact O-N 3.45Å; A379-A381 VanDerWaalsContact C-N 3.34Å; A379-A381 PolarHBondContact O-N 3.2Å; A379-R382 PolarHBondContact O-N 3.04Å; A379-K383 WeakPolarHBondContact O-CB 3.42Å; A379-K383 PolarHBondContact O-N 2.94Å; A379-D439 HydrophobicContact CB-CB 3.84Å
380	L	98.1	Very high	97	Very high	92 Å²	92	37.5 Å²	37.5	48%	0.482	19%	0.188	S	C	.	.	H	α-helix	trans	-62.2	-39.5	177	179.7	60.8	0	0	0	112.3	D376 I378 K384	D376-L380 VanDerWaalsContact O-CB 3.24Å; D376-L380 WeakPolarHBondContact O-CB 3.42Å; D376-L380 PolarHBondContact O-N 2.86Å; I378-L380 PolarHBondContact O-N 3.15Å; L380-K384 WeakPolarHBondContact O-CG 3.38Å; L380-K384 PolarHBondContact O-N 3.02Å
381	A	97.6	Very high	97	Very high	9 Å²	9	37.5 Å²	37.5	7%	0.074	19%	0.188	C	C	.	.	H	α-helix	trans	-67.4	-43.8	175.8	0	0	0	0	0	111.7	I354 I377 I378 A379 K383 K384 G385 P386 V388	I354-A381 HydrophobicContact CD1-CB 4Å; I354-A381 HydrophobicContact CG2-CB 3.65Å; I377-A381 WeakPolarHBondContact O-CB 3.45Å; I377-A381 PolarHBondContact O-N 3.06Å; I378-A381 PolarHBondContact O-N 2.63Å; A379-A381 VanDerWaalsContact C-N 3.34Å; A379-A381 PolarHBondContact O-N 3.2Å; A381-K383 VanDerWaalsContact C-N 3.32Å; A381-K383 PolarHBondContact O-N 2.97Å; A381-K384 PolarHBondContact O-N 3Å; A381-K384 VanDerWaalsContact O-N 3.11Å; A381-G385 PolarHBondContact O-N 3.2Å; A381-G385 VanDerWaalsContact O-N 3.12Å; A381-P386 WeakPolarHBondContact O-CD 3.41Å; A381-V388 HydrophobicContact CB-CG1 3.84Å
382	R	96.6	Very high	97	Very high	76 Å²	76	37.4 Å²	37.4	29%	0.287	19%	0.187	S	C	.	.	H	α-helix	trans	-58.8	-43.8	175.4	-69.6	173.9	60.5	77.3	-7.4	111.6	I378 A379 K384 G385 V388 G438 D439	I378-R382 HydrophobicContact CG2-CG 4.33Å; I378-R382 VanDerWaalsContact O-CG 3.27Å; I378-R382 WeakPolarHBondContact O-CG 3.33Å; I378-R382 PolarHBondContact O-N 2.77Å; A379-R382 PolarHBondContact O-N 3.04Å; R382-K384 VanDerWaalsContact C-N 3.29Å; R382-K384 PolarHBondContact O-N 3.48Å; R382-G385 WeakPolarHBondContact O-CA 3.22Å; R382-G385 PolarHBondContact O-N 3.33Å; R382-V388 HydrophobicContact CG-CG1 3.59Å; R382-V388 PolarHBondContact NH1-O 2.73Å; R382-G438 PolarHBondContact NE-O 3Å; R382-G438 PolarHBondContact NH2-O 3.42Å; R382-D439 WeakPolarHBondContact CD-O 3.46Å; R382-D439 IonicContact NE-OD1 3.21Å
383	K	96.6	Very high	97	Very high	186 Å²	186	35.5 Å²	35.5	81%	0.809	18%	0.179	S	C	*	.	H	α-helix	trans	-60.8	-33.1	175.3	-170.9	172.8	-175.7	172.2	0	113.5	A379 A381 G385	A379-K383 WeakPolarHBondContact O-CB 3.42Å; A379-K383 PolarHBondContact O-N 2.94Å; A381-K383 VanDerWaalsContact C-N 3.32Å; A381-K383 PolarHBondContact O-N 2.97Å; K383-G385 VanDerWaalsContact C-N 3.3Å
384	K	94.7	Very high	97	Very high	148 Å²	148	34.1 Å²	34.1	64%	0.643	17%	0.169	S	C	*	.	H	α-helix	trans	-77	-14.2	172.3	-70.6	170.6	-177.7	173	0	113.3	L380 A381 R382 P386	L380-K384 WeakPolarHBondContact O-CG 3.38Å; L380-K384 PolarHBondContact O-N 3.02Å; A381-K384 PolarHBondContact O-N 3Å; A381-K384 VanDerWaalsContact O-N 3.11Å; R382-K384 VanDerWaalsContact C-N 3.29Å; R382-K384 PolarHBondContact O-N 3.48Å; K384-P386 WeakPolarHBondContact O-CD 3.39Å
385	G	89.6	Confident	97	Very high	19 Å²	19	34.1 Å²	34.1	20%	0.196	17%	0.169	C	C	.	.			trans	102.8	-18.9	177.1	0	0	0	0	0	118.3	A381 R382 K383 R595 R599	A381-G385 PolarHBondContact O-N 3.2Å; A381-G385 VanDerWaalsContact O-N 3.12Å; R382-G385 WeakPolarHBondContact O-CA 3.22Å; R382-G385 PolarHBondContact O-N 3.33Å; K383-G385 VanDerWaalsContact C-N 3.3Å; G385-R595 PolarHBondContact O-NH2 3.37Å; G385-R599 PolarHBondContact O-NH1 3.49Å; G385-R599 PolarHBondContact O-NH2 2.87Å
386	P	88.9	Confident	97	Very high	40 Å²	40	34.2 Å²	34.2	26%	0.26	17%	0.17	S	C	.	.			trans	-38.9	145.1	167.7	-37.9	35.3	0	0	0	115.5	I354 A381 K384 V388	I354-P386 HydrophobicContact CG2-CB 4.46Å; A381-P386 WeakPolarHBondContact O-CD 3.41Å; K384-P386 WeakPolarHBondContact O-CD 3.39Å; P386-V388 VanDerWaalsContact C-N 3.3Å; P386-V388 PolarHBondContact O-N 2.78Å; P386-V388 VanDerWaalsContact O-N 3.09Å
387	L	93	Very high	97	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.037	15%	0.152	C	C	.	.			trans	-84.1	76.9	178.2	-75.6	167.5	0	0	0	109.1	P363 V364 R595 V596	P363-L387 WeakPolarHBondContact CA-O 3.49Å; P363-L387 HydrophobicContact CB-CB 4.19Å; V364-L387 PolarHBondContact N-O 3.19Å; L387-R595 HydrophobicContact CD1-CB 4.19Å; L387-R595 HydrophobicContact CD2-CB 4.1Å; L387-V596 HydrophobicContact CD1-CG2 3.42Å; L387-V596 VanDerWaalsContact CD1-CG2 3.42Å
388	V	97.4	Very high	96.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.4	174.3	61	0	0	0	0	111.4	I354 V364 I366 I378 A381 R382 P386	I354-V388 HydrophobicContact CD1-CB 4.39Å; I354-V388 HydrophobicContact CD1-CG1 4.41Å; I354-V388 HydrophobicContact CD1-CG2 3.86Å; I354-V388 HydrophobicContact CG1-CB 4.22Å; I354-V388 HydrophobicContact CG1-CG2 3.85Å; V364-V388 HydrophobicContact CG1-CB 3.92Å; V364-V388 HydrophobicContact CG1-CG2 3.95Å; V364-V388 VanDerWaalsContact O-CA 3.32Å; V364-V388 WeakPolarHBondContact O-CA 3.46Å; I366-V388 HydrophobicContact CG1-CG2 4Å; I378-V388 HydrophobicContact CG1-CG2 4.3Å; I378-V388 HydrophobicContact CG2-CG1 4.3Å; I378-V388 HydrophobicContact CG2-CG2 4.21Å; A381-V388 HydrophobicContact CB-CG1 3.84Å; R382-V388 HydrophobicContact CG-CG1 3.59Å; R382-V388 PolarHBondContact NH1-O 2.73Å; P386-V388 VanDerWaalsContact C-N 3.3Å; P386-V388 PolarHBondContact O-N 2.78Å; P386-V388 VanDerWaalsContact O-N 3.09Å
389	F	98.3	Very high	96.9	Very high	12 Å²	12	30.1 Å²	30.1	5%	0.053	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.6	171.9	-59.8	-96.1	0	0	0	109.5	V364 Y365 I366 Q441 I505 L592	V364-F389 PolarHBondContact O-N 3.26Å; Y365-F389 HydrophobicContact CD2-CB 3.67Å; Y365-F389 HydrophobicContact CD2-CG 4.4Å; Y365-F389 HydrophobicContact CE2-CB 4.27Å; Y365-F389 HydrophobicContact CG-CB 4.32Å; I366-F389 PolarHBondContact N-O 3.43Å; F389-Q441 HydrophobicContact CD1-CB 4.38Å; F389-Q441 HydrophobicContact CD1-CG 4.14Å; F389-I505 HydrophobicContact CD1-CD1 3.56Å; F389-I505 HydrophobicContact CD1-CG1 4.15Å; F389-I505 HydrophobicContact CE1-CD1 3.94Å; F389-I505 HydrophobicContact CE1-CG1 4.08Å; F389-I505 HydrophobicContact CG-CD1 4.2Å; F389-L592 HydrophobicContact CD2-CD2 4.29Å; F389-L592 HydrophobicContact CE1-CD2 4.15Å; F389-L592 HydrophobicContact CE2-CD2 3.34Å; F389-L592 HydrophobicContact CZ-CD2 3.25Å
390	G	98.5	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.5	176.7	0	0	0	0	0	111.6	Q441	G390-Q441 PolarHBondContact O-N 3.2Å; G390-Q441 VanDerWaalsContact O-N 3.07Å
391	E	98.6	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.			trans	-116.9	95.5	178.4	-174.9	-155.7	107.7	0	0	111.2	V186 N187 Y365 I366 K368 V369 I393 V442	V186-E391 HydrophobicContact CG2-CG 4.25Å; V186-E391 VanDerWaalsContact CG2-OE2 3.24Å; V186-E391 WeakPolarHBondContact CG2-OE2 3.43Å; N187-E391 VanDerWaalsContact CB-OE1 3.27Å; N187-E391 WeakPolarHBondContact CB-OE1 2.98Å; N187-E391 PolarHBondContact ND2-OE1 2.73Å; Y365-E391 HydrophobicContact CE1-CB 3.75Å; Y365-E391 HydrophobicContact CE1-CG 4.39Å; Y365-E391 WeakPolarHBondContact CE1-OE2 3.16Å; Y365-E391 VanDerWaalsContact CZ-OE2 3.31Å; Y365-E391 WeakPolarHBondContact OH-CB 3.49Å; Y365-E391 WeakPolarHBondContact OH-CG 3.45Å; Y365-E391 PolarHBondContact OH-OE2 3Å; I366-E391 PolarHBondContact O-N 2.78Å; K368-E391 CarbonylContact C-O 3.59Å; K368-E391 WeakPolarHBondContact CA-O 3.32Å; K368-E391 PolarHBondContact N-O 2.71Å; K368-E391 VanDerWaalsContact N-O 3.15Å; V369-E391 PolarHBondContact N-O 2.66Å; E391-I393 WeakPolarHBondContact OE1-CG2 3.42Å; E391-V442 WeakPolarHBondContact CA-O 3.44Å
392	P	98.8	Very high	97	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.			trans	-67.8	148.8	159.5	30.8	-36	0	0	0	109.8	L397 L435 L440 V442 T443 G444	P392-L397 HydrophobicContact CB-CD1 4.2Å; P392-L397 HydrophobicContact CB-CD2 3.89Å; P392-L397 HydrophobicContact CB-CG 4.01Å; P392-L397 HydrophobicContact CG-CD1 4.22Å; P392-L397 HydrophobicContact CG-CD2 4.21Å; P392-L397 HydrophobicContact CG-CG 4.48Å; P392-L435 HydrophobicContact CG-CD1 4.11Å; P392-L440 HydrophobicContact CB-CD1 4.18Å; P392-L440 HydrophobicContact CG-CB 4.1Å; P392-L440 HydrophobicContact CG-CD1 3.8Å; P392-L440 HydrophobicContact CG-CG 4.49Å; P392-V442 WeakPolarHBondContact CD-O 3.21Å; P392-T443 WeakPolarHBondContact O-CA 3.5Å; P392-G444 PolarHBondContact O-N 2.91Å
393	I	98.8	Very high	97	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-106.1	160.9	176.5	58.1	167.4	0	0	0	112.2	K368 M370 E391 A395 S396 L397 G444	K368-I393 HydrophobicContact CB-CG2 4.49Å; K368-I393 HydrophobicContact CG-CD1 4.33Å; K368-I393 HydrophobicContact CG-CG2 3.98Å; M370-I393 HydrophobicContact CE-CD1 4.21Å; M370-I393 HydrophobicContact CE-CG1 4.48Å; M370-I393 HydrophobicContact SD-CD1 3.76Å; M370-I393 HydrophobicContact SD-CG1 3.7Å; E391-I393 WeakPolarHBondContact OE1-CG2 3.42Å; I393-A395 HydrophobicContact CD1-CB 3.98Å; I393-A395 HydrophobicContact CG1-CB 4.2Å; I393-A395 PolarHBondContact O-N 2.85Å; I393-S396 PolarHBondContact N-OG 3.06Å; I393-S396 PolarHBondContact O-N 3.33Å; I393-S396 PolarHBondContact O-OG 2.78Å; I393-L397 PolarHBondContact O-N 3.28Å; I393-L397 VanDerWaalsContact O-N 3.13Å; I393-G444 CarbonylContact C-O 3.5Å; I393-G444 VanDerWaalsContact CA-O 3.25Å; I393-G444 WeakPolarHBondContact CA-O 3.37Å
394	A	98.6	Very high	97.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-44.6	-41.7	176.4	0	0	0	0	0	113.3	L397 G398 G444 R475 F548	A394-L397 PolarHBondContact O-N 3.18Å; A394-G398 PolarHBondContact O-N 2.92Å; A394-G444 PolarHBondContact N-O 2.91Å; A394-R475 HydrophobicContact CB-CB 4.16Å; A394-R475 HydrophobicContact CB-CG 4.29Å; A394-F548 HydrophobicContact CB-CZ 4.11Å; A394-F548 WeakPolarHBondContact O-CE1 3.4Å; A394-F548 WeakPolarHBondContact O-CZ 3.48Å
395	A	98.7	Very high	97.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.4	-54.8	176.5	0	0	0	0	0	112	I393 L397 G398 T399 L421 V469 I547	I393-A395 HydrophobicContact CD1-CB 3.98Å; I393-A395 HydrophobicContact CG1-CB 4.2Å; I393-A395 PolarHBondContact O-N 2.85Å; A395-L397 PolarHBondContact O-N 3.34Å; A395-G398 PolarHBondContact O-N 3.42Å; A395-T399 WeakPolarHBondContact O-CG2 3.44Å; A395-T399 PolarHBondContact O-N 3.45Å; A395-T399 VanDerWaalsContact O-O 3.13Å; A395-L421 HydrophobicContact CB-CD2 4.07Å; A395-V469 HydrophobicContact CB-CG2 4.09Å; A395-I547 HydrophobicContact CB-CD1 3.53Å
396	S	98.7	Very high	97.7	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-63.4	-20.4	179.9	62.5	0	0	0	0	114.9	V369 I393 P428	V369-S396 PolarHBondContact O-OG 3.24Å; I393-S396 PolarHBondContact N-OG 3.06Å; I393-S396 PolarHBondContact O-N 3.33Å; I393-S396 PolarHBondContact O-OG 2.78Å; S396-P428 WeakPolarHBondContact O-CA 3.24Å; S396-P428 WeakPolarHBondContact O-CB 3.41Å
397	L	98.7	Very high	98.2	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-95.6	-26.6	178.6	-62.7	173.3	0	0	0	112.8	P392 I393 A394 A395 P428 L431 L435 T443 V479	P392-L397 HydrophobicContact CB-CD1 4.2Å; P392-L397 HydrophobicContact CB-CD2 3.89Å; P392-L397 HydrophobicContact CB-CG 4.01Å; P392-L397 HydrophobicContact CG-CD1 4.22Å; P392-L397 HydrophobicContact CG-CD2 4.21Å; P392-L397 HydrophobicContact CG-CG 4.48Å; I393-L397 PolarHBondContact O-N 3.28Å; I393-L397 VanDerWaalsContact O-N 3.13Å; A394-L397 PolarHBondContact O-N 3.18Å; A395-L397 PolarHBondContact O-N 3.34Å; L397-P428 WeakPolarHBondContact O-CB 3.44Å; L397-L431 HydrophobicContact CD2-CB 3.84Å; L397-L435 HydrophobicContact CD1-CD2 3.96Å; L397-T443 HydrophobicContact CD1-CG2 3.78Å; L397-V479 HydrophobicContact CD1-CG2 3.95Å
398	G	98.1	Very high	98.4	Very high	10 Å²	10	31 Å²	31	10%	0.103	15%	0.152	C	C	.	.	H	α-helix	trans	-98.9	-29.6	-176.7	0	0	0	0	0	115.4	A394 A395 M551	A394-G398 PolarHBondContact O-N 2.92Å; A395-G398 PolarHBondContact O-N 3.42Å; G398-M551 WeakPolarHBondContact O-CE 3.41Å
399	T	98.5	Very high	98.5	Very high	12 Å²	12	34.1 Å²	34.1	7%	0.074	16%	0.163	C	C	.	.			trans	-148.5	172.2	-170	-171.7	0	0	0	0	112.3	A395 H403 F415 L421 P428 I547 F548	A395-T399 WeakPolarHBondContact O-CG2 3.44Å; A395-T399 PolarHBondContact O-N 3.45Å; A395-T399 VanDerWaalsContact O-O 3.13Å; T399-H403 PolarHBondContact OG1-CD2 2.95Å; T399-H403 VanDerWaalsContact OG1-CD2 3.23Å; T399-H403 PolarHBondContact OG1-NE2 3.42Å; T399-F415 HydrophobicContact CG2-CD1 4.34Å; T399-F415 HydrophobicContact CG2-CE1 4.04Å; T399-L421 HydrophobicContact CG2-CD1 4.04Å; T399-L421 HydrophobicContact CG2-CD2 4.46Å; T399-P428 WeakPolarHBondContact O-CG 3.3Å; T399-I547 HydrophobicContact CG2-CD1 4.15Å; T399-F548 HydrophobicContact CG2-CD1 4.3Å; T399-F548 HydrophobicContact CG2-CE1 3.97Å
400	D	98.5	Very high	98.5	Very high	28 Å²	28	35.1 Å²	35.1	15%	0.15	17%	0.174	C	C	.	.			trans	-129.6	173.5	-172	68.6	54.3	0	0	0	113.2	T402 H403 P428	D400-T402 VanDerWaalsContact C-N 3.33Å; D400-T402 PolarHBondContact O-N 2.98Å; D400-T402 WeakPolarHBondContact OD1-CB 3.41Å; D400-T402 WeakPolarHBondContact OD1-CG2 3.42Å; D400-T402 PolarHBondContact OD1-N 2.72Å; D400-T402 PolarHBondContact OD1-OG1 2.65Å; D400-H403 PolarHBondContact O-CD2 3.39Å; D400-P428 HydrophobicContact CB-CG 4.29Å
401	G	98.2	Very high	98.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-79.1	-3.3	-177.3	0	0	0	0	0	115.3	H403 Y404 W405 L421 S422	G401-H403 PolarHBondContact O-N 2.75Å; G401-H403 VanDerWaalsContact O-N 3.08Å; G401-Y404 WeakPolarHBondContact O-CD2 3.31Å; G401-Y404 PolarHBondContact O-N 3.27Å; G401-W405 WeakPolarHBondContact O-CZ3 3.4Å; G401-L421 WeakPolarHBondContact CA-O 3.36Å; G401-S422 PolarHBondContact N-O 3.49Å
402	T	98.4	Very high	98.4	Very high	64 Å²	64	40 Å²	40	39%	0.393	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-60.4	-24.2	178.3	66.4	0	0	0	0	111.7	D400 Y404 W405	D400-T402 VanDerWaalsContact C-N 3.33Å; D400-T402 PolarHBondContact O-N 2.98Å; D400-T402 WeakPolarHBondContact OD1-CB 3.41Å; D400-T402 WeakPolarHBondContact OD1-CG2 3.42Å; D400-T402 PolarHBondContact OD1-N 2.72Å; D400-T402 PolarHBondContact OD1-OG1 2.65Å; T402-Y404 PolarHBondContact O-N 3.22Å; T402-W405 PolarHBondContact O-N 2.96Å
403	H	98.2	Very high	98.4	Very high	47 Å²	47	40 Å²	40	22%	0.218	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-62.6	-22.7	175.7	-63.7	-35.6	0	0	0	114.7	T399 D400 G401 W405 S406 A412 F415	T399-H403 PolarHBondContact OG1-CD2 2.95Å; T399-H403 VanDerWaalsContact OG1-CD2 3.23Å; T399-H403 PolarHBondContact OG1-NE2 3.42Å; D400-H403 PolarHBondContact O-CD2 3.39Å; G401-H403 PolarHBondContact O-N 2.75Å; G401-H403 VanDerWaalsContact O-N 3.08Å; H403-W405 PolarHBondContact O-N 3.1Å; H403-S406 WeakPolarHBondContact O-CB 3.19Å; H403-S406 PolarHBondContact O-N 3.31Å; H403-S406 VanDerWaalsContact O-N 3.07Å; H403-A412 WeakPolarHBondContact O-CA 3.4Å; H403-F415 HydrophobicContact CB-CD1 4Å; H403-F415 HydrophobicContact CB-CD2 3.63Å; H403-F415 HydrophobicContact CB-CE1 4.09Å; H403-F415 HydrophobicContact CB-CE2 3.76Å; H403-F415 HydrophobicContact CB-CG 3.78Å; H403-F415 HydrophobicContact CB-CZ 3.99Å; H403-F415 AromaticContact CD2-CD1 3.73Å; H403-F415 AromaticContact CD2-CE1 3.15Å; H403-F415 WeakPolarHBondContact CD2-CE1 3.41Å; H403-F415 AromaticContact CD2-CZ 3.34Å; H403-F415 WeakPolarHBondContact CD2-CZ 3.39Å; H403-F415 AromaticContact CG-CE1 3.84Å; H403-F415 AromaticContact CG-CE2 3.93Å; H403-F415 AromaticContact CG-CZ 3.7Å
404	Y	98.6	Very high	98.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-62.7	-27.3	174.1	-62.5	-56.3	0	0	0	112.8	P334 A338 G401 T402 S406 A412 F415 V416 P420 L421	P334-Y404 HydrophobicContact CB-CD1 4.44Å; A338-Y404 HydrophobicContact CB-CD2 3.53Å; A338-Y404 HydrophobicContact CB-CE2 3.88Å; A338-Y404 HydrophobicContact CB-CG 4.19Å; G401-Y404 WeakPolarHBondContact O-CD2 3.31Å; G401-Y404 PolarHBondContact O-N 3.27Å; T402-Y404 PolarHBondContact O-N 3.22Å; Y404-S406 VanDerWaalsContact C-N 3.28Å; Y404-S406 PolarHBondContact O-N 3.39Å; Y404-A412 WeakPolarHBondContact O-CB 3.46Å; Y404-F415 HydrophobicContact CD1-CB 4.27Å; Y404-F415 VanDerWaalsContact CE1-C 3.46Å; Y404-F415 HydrophobicContact CE1-CB 3.75Å; Y404-F415 VanDerWaalsContact CE1-O 3.27Å; Y404-F415 WeakPolarHBondContact CE1-O 3.4Å; Y404-F415 PolarHBondContact OH-O 3.16Å; Y404-V416 HydrophobicContact CD1-CG2 4.38Å; Y404-V416 HydrophobicContact CE1-CG2 4.08Å; Y404-P420 HydrophobicContact CE2-CB 4.12Å; Y404-L421 HydrophobicContact CE2-CB 4.09Å; Y404-L421 WeakPolarHBondContact CE2-O 3.42Å; Y404-L421 PolarHBondContact OH-N 3.06Å; Y404-L421 VanDerWaalsContact OH-N 3.09Å
405	W	98.6	Very high	98.4	Very high	126 Å²	126	40.7 Å²	40.7	48%	0.477	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-88	14.4	175.8	-72.9	-94	0	0	0	113.7	E335 A338 L339 G401 T402 H403 K407 P423	E335-W405 HydrophobicContact CB-CD2 4.13Å; E335-W405 HydrophobicContact CB-CG 4.32Å; E335-W405 HydrophobicContact CB-CZ2 4.19Å; A338-W405 HydrophobicContact CB-CH2 4.18Å; A338-W405 HydrophobicContact CB-CZ3 4.42Å; L339-W405 HydrophobicContact CD1-CZ2 4.35Å; L339-W405 HydrophobicContact CD2-CZ2 4.11Å; L339-W405 HydrophobicContact CG-CZ2 4.02Å; G401-W405 WeakPolarHBondContact O-CZ3 3.4Å; T402-W405 PolarHBondContact O-N 2.96Å; H403-W405 PolarHBondContact O-N 3.1Å; W405-K407 PolarHBondContact O-N 2.94Å; W405-P423 HydrophobicContact CH2-CB 4.28Å; W405-P423 HydrophobicContact CZ3-CB 3.9Å
406	S	98.2	Very high	98.4	Very high	33 Å²	33	40.7 Å²	40.7	23%	0.231	20%	0.199	C	C	.	.			trans	-62.3	124.3	173.3	161.6	0	0	0	0	111.3	H403 Y404 N408	H403-S406 WeakPolarHBondContact O-CB 3.19Å; H403-S406 PolarHBondContact O-N 3.31Å; H403-S406 VanDerWaalsContact O-N 3.07Å; Y404-S406 VanDerWaalsContact C-N 3.28Å; Y404-S406 PolarHBondContact O-N 3.39Å; S406-N408 CarbonylContact O-C 3.57Å; S406-N408 PolarHBondContact O-N 2.79Å; S406-N408 PolarHBondContact OG-N 2.85Å; S406-N408 VanDerWaalsContact OG-N 3.16Å; S406-N408 PolarHBondContact OG-O 2.81Å
407	K	98.1	Very high	98.4	Very high	218 Å²	218	40.8 Å²	40.8	95%	0.948	20%	0.2	S	C	*	.	S	Bend	trans	-57.6	-21.4	172.8	-64.5	-175	179.4	-178.5	0	113.8	W405	W405-K407 PolarHBondContact O-N 2.94Å
408	N	98.3	Very high	98.3	Very high	96 Å²	96	40.8 Å²	40.8	51%	0.513	20%	0.2	S	C	.	.	S	Bend	trans	-86.5	109.1	167.1	178.5	-19.8	0	0	0	108.4	S406 A410 K411 A412	S406-N408 CarbonylContact O-C 3.57Å; S406-N408 PolarHBondContact O-N 2.79Å; S406-N408 PolarHBondContact OG-N 2.85Å; S406-N408 VanDerWaalsContact OG-N 3.16Å; S406-N408 PolarHBondContact OG-O 2.81Å; N408-A410 VanDerWaalsContact C-N 3.33Å; N408-A410 PolarHBondContact O-N 2.93Å; N408-A410 WeakPolarHBondContact OD1-CB 3.13Å; N408-A410 PolarHBondContact OD1-N 2.67Å; N408-K411 HydrophobicContact CB-CB 4.07Å; N408-K411 PolarHBondContact O-N 3.17Å; N408-K411 PolarHBondContact OD1-N 3.32Å; N408-A412 PolarHBondContact O-N 2.6Å
409	W	98.5	Very high	98.3	Very high	66 Å²	66	40.4 Å²	40.4	25%	0.25	20%	0.196	C	C	.	.	H	α-helix	trans	-55.7	-43.4	179.9	-178.4	97.7	0	0	0	112.7	K411 A412 A413 K455 A456 K459 I465	W409-K411 VanDerWaalsContact C-N 3.32Å; W409-K411 PolarHBondContact O-N 2.87Å; W409-A412 PolarHBondContact O-N 2.88Å; W409-A412 VanDerWaalsContact O-N 3.12Å; W409-A413 HydrophobicContact CD2-CB 4.31Å; W409-A413 HydrophobicContact CE3-CB 4.1Å; W409-A413 HydrophobicContact CH2-CB 3.36Å; W409-A413 HydrophobicContact CZ2-CB 3.68Å; W409-A413 HydrophobicContact CZ3-CB 3.63Å; W409-A413 WeakPolarHBondContact O-CB 3.38Å; W409-A413 PolarHBondContact O-N 2.81Å; W409-K455 HydrophobicContact CH2-CB 4.41Å; W409-K455 WeakPolarHBondContact CH2-O 3.3Å; W409-A456 HydrophobicContact CH2-CB 4.43Å; W409-A456 HydrophobicContact CZ3-CB 4.2Å; W409-K459 HydrophobicContact CH2-CB 4.39Å; W409-K459 VanDerWaalsContact CZ2-CA 3.45Å; W409-K459 HydrophobicContact CZ2-CB 4.11Å; W409-K459 PolarHBondContact NE1-O 3.43Å; W409-I465 HydrophobicContact CH2-CD1 4.47Å; W409-I465 HydrophobicContact CZ2-CD1 3.72Å; W409-I465 HydrophobicContact CZ2-CG1 4.05Å
410	A	98.1	Very high	98.3	Very high	33 Å²	33	40.5 Å²	40.5	27%	0.273	20%	0.196	S	C	.	.	H	α-helix	trans	-65.3	-38.3	-179.3	0	0	0	0	0	111.4	N408 A414 T452	N408-A410 VanDerWaalsContact C-N 3.33Å; N408-A410 PolarHBondContact O-N 2.93Å; N408-A410 WeakPolarHBondContact OD1-CB 3.13Å; N408-A410 PolarHBondContact OD1-N 2.67Å; A410-A414 PolarHBondContact O-N 3.36Å; A410-A414 VanDerWaalsContact O-N 3.15Å; A410-T452 HydrophobicContact CB-CG2 3.92Å
411	K	97.9	Very high	98.3	Very high	103 Å²	103	39.2 Å²	39.2	45%	0.448	19%	0.19	S	C	.	.	H	α-helix	trans	-64	-42.7	171.5	-179.7	175.9	-179.8	175.5	0	111.3	N408 W409 A414 F415	N408-K411 HydrophobicContact CB-CB 4.07Å; N408-K411 PolarHBondContact O-N 3.17Å; N408-K411 PolarHBondContact OD1-N 3.32Å; W409-K411 VanDerWaalsContact C-N 3.32Å; W409-K411 PolarHBondContact O-N 2.87Å; K411-A414 WeakPolarHBondContact O-CB 3.49Å; K411-F415 HydrophobicContact CG-CE2 4.29Å; K411-F415 WeakPolarHBondContact O-CD2 3.32Å
412	A	98.7	Very high	98.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-43.3	178.9	0	0	0	0	0	112.3	P334 H403 Y404 N408 W409 A414 F415	P334-A412 HydrophobicContact CB-CB 3.87Å; P334-A412 HydrophobicContact CG-CB 3.73Å; H403-A412 WeakPolarHBondContact O-CA 3.4Å; Y404-A412 WeakPolarHBondContact O-CB 3.46Å; N408-A412 PolarHBondContact O-N 2.6Å; W409-A412 PolarHBondContact O-N 2.88Å; W409-A412 VanDerWaalsContact O-N 3.12Å; A412-A414 VanDerWaalsContact C-N 3.29Å; A412-A414 PolarHBondContact O-N 3.34Å; A412-F415 PolarHBondContact O-N 3.09Å
413	A	98.6	Very high	98.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.6	-29.3	179.9	0	0	0	0	0	113.3	P334 W409 F415 V416 K455 I465	P334-A413 HydrophobicContact CG-CB 4.05Å; W409-A413 HydrophobicContact CD2-CB 4.31Å; W409-A413 HydrophobicContact CE3-CB 4.1Å; W409-A413 HydrophobicContact CH2-CB 3.36Å; W409-A413 HydrophobicContact CZ2-CB 3.68Å; W409-A413 HydrophobicContact CZ3-CB 3.63Å; W409-A413 WeakPolarHBondContact O-CB 3.38Å; W409-A413 PolarHBondContact O-N 2.81Å; A413-F415 PolarHBondContact O-N 3.04Å; A413-V416 WeakPolarHBondContact O-CB 3.32Å; A413-V416 PolarHBondContact O-N 3.03Å; A413-V416 VanDerWaalsContact O-N 3.1Å; A413-K455 HydrophobicContact CB-CB 4.3Å; A413-K455 WeakPolarHBondContact O-CD 3.4Å; A413-K455 WeakPolarHBondContact O-CE 3.21Å; A413-K455 PolarHBondContact O-NZ 3.43Å; A413-I465 HydrophobicContact CB-CD1 4.23Å; A413-I465 HydrophobicContact CB-CG2 4.42Å
414	A	98.4	Very high	98.2	Very high	5 Å²	5	40.3 Å²	40.3	4%	0.041	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.4	175.5	0	0	0	0	0	113.6	A410 K411 A412 Y545	A410-A414 PolarHBondContact O-N 3.36Å; A410-A414 VanDerWaalsContact O-N 3.15Å; K411-A414 WeakPolarHBondContact O-CB 3.49Å; A412-A414 VanDerWaalsContact C-N 3.29Å; A412-A414 PolarHBondContact O-N 3.34Å; A414-Y545 HydrophobicContact CB-CD2 3.62Å; A414-Y545 HydrophobicContact CB-CE1 4.48Å; A414-Y545 HydrophobicContact CB-CE2 3.58Å; A414-Y545 HydrophobicContact CB-CG 4.11Å
415	F	98.6	Very high	98.2	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.035	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.5	179.8	-67.1	-98.8	0	0	0	113.5	T399 H403 Y404 K411 A412 A413 T417 L421 I547	T399-F415 HydrophobicContact CG2-CD1 4.34Å; T399-F415 HydrophobicContact CG2-CE1 4.04Å; H403-F415 HydrophobicContact CB-CD1 4Å; H403-F415 HydrophobicContact CB-CD2 3.63Å; H403-F415 HydrophobicContact CB-CE1 4.09Å; H403-F415 HydrophobicContact CB-CE2 3.76Å; H403-F415 HydrophobicContact CB-CG 3.78Å; H403-F415 HydrophobicContact CB-CZ 3.99Å; H403-F415 AromaticContact CD2-CD1 3.73Å; H403-F415 AromaticContact CD2-CE1 3.15Å; H403-F415 WeakPolarHBondContact CD2-CE1 3.41Å; H403-F415 AromaticContact CD2-CZ 3.34Å; H403-F415 WeakPolarHBondContact CD2-CZ 3.39Å; H403-F415 AromaticContact CG-CE1 3.84Å; H403-F415 AromaticContact CG-CE2 3.93Å; H403-F415 AromaticContact CG-CZ 3.7Å; Y404-F415 HydrophobicContact CD1-CB 4.27Å; Y404-F415 VanDerWaalsContact CE1-C 3.46Å; Y404-F415 HydrophobicContact CE1-CB 3.75Å; Y404-F415 VanDerWaalsContact CE1-O 3.27Å; Y404-F415 WeakPolarHBondContact CE1-O 3.4Å; Y404-F415 PolarHBondContact OH-O 3.16Å; K411-F415 HydrophobicContact CG-CE2 4.29Å; K411-F415 WeakPolarHBondContact O-CD2 3.32Å; A412-F415 PolarHBondContact O-N 3.09Å; A413-F415 PolarHBondContact O-N 3.04Å; F415-T417 PolarHBondContact O-N 2.89Å; F415-T417 VanDerWaalsContact O-N 3.17Å; F415-L421 HydrophobicContact CB-CD1 4.27Å; F415-L421 HydrophobicContact CD1-CD1 3.78Å; F415-I547 HydrophobicContact CD1-CB 3.97Å; F415-I547 HydrophobicContact CD1-CG2 3.92Å; F415-I547 HydrophobicContact CE1-CB 3.54Å; F415-I547 HydrophobicContact CE1-CG2 3.91Å; F415-I547 WeakPolarHBondContact CE1-O 3.31Å; F415-I547 HydrophobicContact CG-CG2 4.25Å; F415-I547 HydrophobicContact CZ-CB 3.99Å; F415-I547 HydrophobicContact CZ-CG2 4.22Å; F415-I547 WeakPolarHBondContact CZ-O 3.48Å
416	V	98.7	Very high	98.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.			trans	-68.3	114.9	-176.7	173.5	0	0	0	0	110.4	P334 Y404 A413 K455 I465 E467 G468	P334-V416 HydrophobicContact CB-CG2 3.88Å; Y404-V416 HydrophobicContact CD1-CG2 4.38Å; Y404-V416 HydrophobicContact CE1-CG2 4.08Å; A413-V416 WeakPolarHBondContact O-CB 3.32Å; A413-V416 PolarHBondContact O-N 3.03Å; A413-V416 VanDerWaalsContact O-N 3.1Å; V416-K455 PolarHBondContact O-NZ 3.25Å; V416-I465 HydrophobicContact CB-CG2 3.87Å; V416-I465 HydrophobicContact CG1-CB 4.15Å; V416-I465 HydrophobicContact CG1-CG2 3.87Å; V416-I465 HydrophobicContact CG2-CD1 4.17Å; V416-I465 HydrophobicContact CG2-CG2 4.12Å; V416-E467 HydrophobicContact CG1-CG 4.36Å; V416-G468 PolarHBondContact O-N 2.98Å
417	T	97.9	Very high	98.3	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.031	21%	0.213	C	C	.	.			trans	-150.8	167.6	-178.8	-172	0	0	0	0	109.6	H337 M370 F415 P419 P420 V469	H337-T417 PolarHBondContact NE2-O 3.16Å; M370-T417 HydrophobicContact CE-CG2 4.02Å; F415-T417 PolarHBondContact O-N 2.89Å; F415-T417 VanDerWaalsContact O-N 3.17Å; T417-P419 CarbonylContact C-O 3.54Å; T417-P419 CarbonylContact O-C 3.48Å; T417-P420 WeakPolarHBondContact O-CA 3.39Å; T417-V469 HydrophobicContact CG2-CG1 4.32Å
418	S	96.5	Very high	98.3	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	17%	0.173	C	C	.	.	S	Bend	trans	-129.5	126.9	178.8	-145.8	0	0	0	0	112.1	Y284 H312 E314 R341 K368 E467	Y284-S418 WeakPolarHBondContact OH-CB 3.48Å; H312-S418 PolarHBondContact CE1-O 2.83Å; E314-S418 PolarHBondContact OE1-OG 3.05Å; E314-S418 WeakPolarHBondContact OE2-CB 3.48Å; E314-S418 PolarHBondContact OE2-OG 3.14Å; R341-S418 PolarHBondContact NH1-OG 2.92Å; K368-S418 VanDerWaalsContact CE-O 3.3Å; K368-S418 WeakPolarHBondContact CE-O 3.45Å; K368-S418 PolarHBondContact NZ-O 2.84Å; S418-E467 VanDerWaalsContact CB-OE2 3.28Å; S418-E467 WeakPolarHBondContact CB-OE2 3.31Å
419	P	98.4	Very high	98.3	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.013	17%	0.172	C	C	.	.	S	Bend	cis	-60.9	158.4	-6.2	-13.5	26.4	0	0	0	111.7	E314 E346 K368 M370 T417	E314-P419 VanDerWaalsContact CD-CA 3.5Å; E314-P419 HydrophobicContact CG-CB 3.98Å; E314-P419 HydrophobicContact CG-CG 3.77Å; E314-P419 WeakPolarHBondContact OE2-CA 3.36Å; E314-P419 WeakPolarHBondContact OE2-CG 3.41Å; E314-P419 VanDerWaalsContact OE2-N 3.12Å; E346-P419 HydrophobicContact CG-CB 4.36Å; E346-P419 HydrophobicContact CG-CG 4.03Å; K368-P419 WeakPolarHBondContact O-CD 3.35Å; M370-P419 HydrophobicContact CB-CB 4.01Å; M370-P419 HydrophobicContact CB-CG 4.44Å; M370-P419 HydrophobicContact CG-CB 3.68Å; M370-P419 HydrophobicContact CG-CG 3.82Å; M370-P419 WeakPolarHBondContact CG-O 3.3Å; T417-P419 CarbonylContact C-O 3.54Å; T417-P419 CarbonylContact O-C 3.48Å
420	P	98.5	Very high	98.3	Very high	14 Å²	14	31 Å²	31	9%	0.091	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-66	157.5	178.1	30.2	-36.6	0	0	0	111.1	A338 R341 M370 Y404 T417 S422	A338-P420 HydrophobicContact CB-CB 4.28Å; R341-P420 HydrophobicContact CB-CG 4Å; R341-P420 VanDerWaalsContact O-CG 3.25Å; R341-P420 WeakPolarHBondContact O-CG 3.27Å; M370-P420 WeakPolarHBondContact CB-O 3.33Å; Y404-P420 HydrophobicContact CE2-CB 4.12Å; T417-P420 WeakPolarHBondContact O-CA 3.39Å; P420-S422 PolarHBondContact O-N 2.97Å
421	L	98.7	Very high	98.4	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-63.9	130.6	167.4	-72.6	160.3	0	0	0	109.6	M370 A395 T399 G401 Y404 F415	M370-L421 HydrophobicContact CE-CD2 3.49Å; M370-L421 VanDerWaalsContact CE-CD2 3.49Å; M370-L421 HydrophobicContact CE-CG 3.77Å; A395-L421 HydrophobicContact CB-CD2 4.07Å; T399-L421 HydrophobicContact CG2-CD1 4.04Å; T399-L421 HydrophobicContact CG2-CD2 4.46Å; G401-L421 WeakPolarHBondContact CA-O 3.36Å; Y404-L421 HydrophobicContact CE2-CB 4.09Å; Y404-L421 WeakPolarHBondContact CE2-O 3.42Å; Y404-L421 PolarHBondContact OH-N 3.06Å; Y404-L421 VanDerWaalsContact OH-N 3.09Å; F415-L421 HydrophobicContact CB-CD1 4.27Å; F415-L421 HydrophobicContact CD1-CD1 3.78Å
422	S	98.1	Very high	98.4	Very high	9 Å²	9	24.7 Å²	24.7	6%	0.063	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-61.5	131.3	178.2	178.3	0	0	0	0	110.5	E343 G401 P420 D424 T427	E343-S422 PolarHBondContact OE2-OG 3.08Å; E343-S422 VanDerWaalsContact OE2-OG 3.12Å; G401-S422 PolarHBondContact N-O 3.49Å; P420-S422 PolarHBondContact O-N 2.97Å; S422-D424 PolarHBondContact O-N 3.47Å; S422-D424 PolarHBondContact OG-N 3.24Å; S422-T427 PolarHBondContact OG-OG1 2.8Å
423	P	97.5	Very high	98.4	Very high	68 Å²	68	26.6 Å²	26.6	44%	0.442	15%	0.154	S	C	.	.	S	Bend	trans	-73.1	-5.1	177.9	31.4	-36.1	0	0	0	113.5	W405 P425	W405-P423 HydrophobicContact CH2-CB 4.28Å; W405-P423 HydrophobicContact CZ3-CB 3.9Å; P423-P425 WeakPolarHBondContact O-CD 3.33Å
424	D	98.3	Very high	98.4	Very high	56 Å²	56	27.2 Å²	27.2	30%	0.299	16%	0.158	S	C	.	.			trans	-76.1	113	168.4	179.5	-13.2	0	0	0	109.6	K372 S422 T426 T427	K372-D424 WeakPolarHBondContact CE-OD2 3.41Å; K372-D424 IonicContact NZ-OD1 3.58Å; K372-D424 IonicContact NZ-OD2 3.58Å; K372-D424 PolarHBondContact NZ-OD2 3.12Å; S422-D424 PolarHBondContact O-N 3.47Å; S422-D424 PolarHBondContact OG-N 3.24Å; D424-T426 PolarHBondContact O-N 2.92Å; D424-T426 WeakPolarHBondContact OD1-CB 3.48Å; D424-T426 PolarHBondContact OD1-N 2.68Å; D424-T426 PolarHBondContact OD1-OG1 3.24Å; D424-T426 PolarHBondContact OD2-OG1 3.42Å; D424-T427 WeakPolarHBondContact O-CB 3.33Å; D424-T427 PolarHBondContact O-N 3.43Å; D424-T427 PolarHBondContact O-OG1 3.26Å
425	P	98.1	Very high	98.4	Very high	82 Å²	82	27.2 Å²	27.2	53%	0.532	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-8.3	-176.6	30.7	-37.4	0	0	0	113.5	P423	P423-P425 WeakPolarHBondContact O-CD 3.33Å
426	T	98.6	Very high	98.4	Very high	74 Å²	74	27.3 Å²	27.3	45%	0.454	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.5	175.1	66.4	0	0	0	0	113.1	K372 D424 Y430	K372-T426 PolarHBondContact NZ-OG1 3.09Å; D424-T426 PolarHBondContact O-N 2.92Å; D424-T426 WeakPolarHBondContact OD1-CB 3.48Å; D424-T426 PolarHBondContact OD1-N 2.68Å; D424-T426 PolarHBondContact OD1-OG1 3.24Å; D424-T426 PolarHBondContact OD2-OG1 3.42Å; T426-Y430 WeakPolarHBondContact O-CB 3.19Å; T426-Y430 PolarHBondContact O-N 2.87Å; T426-Y430 VanDerWaalsContact O-N 3.12Å
427	T	98.8	Very high	98.3	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-45.5	175.4	-64.9	0	0	0	0	113.7	M370 K372 S422 D424 D429 Y430 L431	M370-T427 WeakPolarHBondContact O-CG2 3.46Å; K372-T427 WeakPolarHBondContact CE-OG1 3.45Å; K372-T427 HydrophobicContact CG-CG2 4.09Å; S422-T427 PolarHBondContact OG-OG1 2.8Å; D424-T427 WeakPolarHBondContact O-CB 3.33Å; D424-T427 PolarHBondContact O-N 3.43Å; D424-T427 PolarHBondContact O-OG1 3.26Å; T427-D429 VanDerWaalsContact C-N 3.31Å; T427-D429 PolarHBondContact O-N 2.97Å; T427-Y430 WeakPolarHBondContact O-CB 3.28Å; T427-Y430 PolarHBondContact O-N 3.5Å; T427-Y430 VanDerWaalsContact O-N 3.12Å; T427-L431 HydrophobicContact CG2-CD1 3.79Å; T427-L431 HydrophobicContact CG2-CG 4.04Å; T427-L431 WeakPolarHBondContact O-CG 3.37Å; T427-L431 PolarHBondContact O-N 2.92Å
428	P	98.8	Very high	98.2	Very high	15 Å²	15	32.5 Å²	32.5	10%	0.097	20%	0.199	C	C	.	.	H	α-helix	trans	-63.1	-38.6	-179.2	-24.1	36.2	0	0	0	113.1	S396 L397 T399 D400 Y430 T432	S396-P428 WeakPolarHBondContact O-CA 3.24Å; S396-P428 WeakPolarHBondContact O-CB 3.41Å; L397-P428 WeakPolarHBondContact O-CB 3.44Å; T399-P428 WeakPolarHBondContact O-CG 3.3Å; D400-P428 HydrophobicContact CB-CG 4.29Å; P428-Y430 VanDerWaalsContact C-N 3.34Å; P428-T432 VanDerWaalsContact O-CB 3.32Å; P428-T432 WeakPolarHBondContact O-CB 3.43Å; P428-T432 PolarHBondContact O-N 3.18Å; P428-T432 PolarHBondContact O-OG1 2.89Å
429	D	98.6	Very high	98.3	Very high	91 Å²	91	34.7 Å²	34.7	49%	0.487	21%	0.211	S	C	.	.	H	α-helix	trans	-64.7	-39.1	175.3	-167.7	71.2	0	0	0	112	T427 S433 K488	T427-D429 VanDerWaalsContact C-N 3.31Å; T427-D429 PolarHBondContact O-N 2.97Å; D429-S433 PolarHBondContact O-N 3.03Å; D429-S433 VanDerWaalsContact O-N 3.14Å; D429-S433 PolarHBondContact O-OG 3.21Å; D429-K488 PolarHBondContact O-NZ 2.84Å; D429-K488 IonicContact OD1-NZ 3.21Å; D429-K488 PolarHBondContact OD1-NZ 3.18Å; D429-K488 IonicContact OD2-NZ 3.67Å; D429-K488 PolarHBondContact OD2-NZ 3.29Å
430	Y	98.8	Very high	98.3	Very high	78 Å²	78	34.6 Å²	34.6	31%	0.306	21%	0.21	S	C	.	.	H	α-helix	trans	-66.5	-52.3	176.2	-167.1	-100.1	0	0	0	112.3	K372 D376 T426 T427 P428 T432 S433 L434	K372-Y430 HydrophobicContact CB-CD1 3.77Å; K372-Y430 HydrophobicContact CB-CE1 4Å; K372-Y430 HydrophobicContact CD-CD1 4.11Å; K372-Y430 HydrophobicContact CD-CG 4.05Å; K372-Y430 HydrophobicContact CG-CD1 3.6Å; K372-Y430 HydrophobicContact CG-CE1 4.3Å; K372-Y430 HydrophobicContact CG-CG 3.94Å; D376-Y430 PolarHBondContact OD1-OH 3.07Å; T426-Y430 WeakPolarHBondContact O-CB 3.19Å; T426-Y430 PolarHBondContact O-N 2.87Å; T426-Y430 VanDerWaalsContact O-N 3.12Å; T427-Y430 WeakPolarHBondContact O-CB 3.28Å; T427-Y430 PolarHBondContact O-N 3.5Å; T427-Y430 VanDerWaalsContact O-N 3.12Å; P428-Y430 VanDerWaalsContact C-N 3.34Å; Y430-T432 VanDerWaalsContact C-N 3.26Å; Y430-T432 PolarHBondContact O-N 3.45Å; Y430-S433 WeakPolarHBondContact O-CA 3.47Å; Y430-S433 VanDerWaalsContact O-CB 3.3Å; Y430-S433 WeakPolarHBondContact O-CB 3.09Å; Y430-S433 PolarHBondContact O-N 2.97Å; Y430-L434 HydrophobicContact CD1-CD1 3.94Å; Y430-L434 HydrophobicContact CD1-CD2 4.32Å; Y430-L434 HydrophobicContact CD2-CD1 4.48Å; Y430-L434 HydrophobicContact CE1-CD1 3.53Å; Y430-L434 HydrophobicContact CE1-CD2 3.71Å; Y430-L434 HydrophobicContact CE1-CG 4.3Å; Y430-L434 HydrophobicContact CE2-CD1 4.13Å; Y430-L434 HydrophobicContact CG-CD1 4.39Å; Y430-L434 WeakPolarHBondContact O-CD1 3.27Å; Y430-L434 PolarHBondContact O-N 2.89Å
431	L	98.9	Very high	98.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59	-38.5	177.7	-67.3	178	0	0	0	111.8	V369 A375 L397 T427 S433 L434 L435 L440	V369-L431 HydrophobicContact CG1-CD2 4.2Å; A375-L431 HydrophobicContact CB-CD2 3.55Å; L397-L431 HydrophobicContact CD2-CB 3.84Å; T427-L431 HydrophobicContact CG2-CD1 3.79Å; T427-L431 HydrophobicContact CG2-CG 4.04Å; T427-L431 WeakPolarHBondContact O-CG 3.37Å; T427-L431 PolarHBondContact O-N 2.92Å; L431-S433 VanDerWaalsContact C-N 3.3Å; L431-S433 PolarHBondContact O-N 3.04Å; L431-L434 PolarHBondContact O-N 3.38Å; L431-L435 WeakPolarHBondContact O-CB 3.41Å; L431-L435 PolarHBondContact O-N 2.85Å; L431-L440 HydrophobicContact CB-CD1 4.42Å; L431-L440 HydrophobicContact CD2-CD1 3.94Å
432	T	98.5	Very high	98.2	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-37.3	173.6	-59	0	0	0	0	112.2	P428 Y430 L435 A436 K482 A483 K488	P428-T432 VanDerWaalsContact O-CB 3.32Å; P428-T432 WeakPolarHBondContact O-CB 3.43Å; P428-T432 PolarHBondContact O-N 3.18Å; P428-T432 PolarHBondContact O-OG1 2.89Å; Y430-T432 VanDerWaalsContact C-N 3.26Å; Y430-T432 PolarHBondContact O-N 3.45Å; T432-L435 PolarHBondContact O-N 2.82Å; T432-A436 WeakPolarHBondContact O-CB 3.41Å; T432-A436 PolarHBondContact O-N 3.44Å; T432-K482 WeakPolarHBondContact CG2-O 3.35Å; T432-A483 HydrophobicContact CG2-CB 3.63Å; T432-K488 HydrophobicContact CG2-CD 4.05Å
433	S	98.6	Very high	98.2	Very high	40 Å²	40	34 Å²	34	28%	0.28	21%	0.205	S	C	.	.	H	α-helix	trans	-68	-41.4	176.4	-48.7	0	0	0	0	111.7	D429 Y430 L431 L435 A436 C437 K488	D429-S433 PolarHBondContact O-N 3.03Å; D429-S433 VanDerWaalsContact O-N 3.14Å; D429-S433 PolarHBondContact O-OG 3.21Å; Y430-S433 WeakPolarHBondContact O-CA 3.47Å; Y430-S433 VanDerWaalsContact O-CB 3.3Å; Y430-S433 WeakPolarHBondContact O-CB 3.09Å; Y430-S433 PolarHBondContact O-N 2.97Å; L431-S433 VanDerWaalsContact C-N 3.3Å; L431-S433 PolarHBondContact O-N 3.04Å; S433-L435 VanDerWaalsContact C-N 3.33Å; S433-A436 PolarHBondContact O-N 2.98Å; S433-C437 PolarHBondContact O-N 2.95Å; S433-C437 PolarHBondContact O-SG 2.65Å; S433-K488 PolarHBondContact OG-NZ 3.49Å
434	L	98.7	Very high	98.3	Very high	14 Å²	14	30.7 Å²	30.7	7%	0.073	18%	0.184	C	C	.	.	H	α-helix	trans	-69.3	-30.1	176.3	-88.8	63.8	0	0	0	112.5	A375 Y430 L431 G438 D439 L440	A375-L434 HydrophobicContact CB-CD2 3.51Å; Y430-L434 HydrophobicContact CD1-CD1 3.94Å; Y430-L434 HydrophobicContact CD1-CD2 4.32Å; Y430-L434 HydrophobicContact CD2-CD1 4.48Å; Y430-L434 HydrophobicContact CE1-CD1 3.53Å; Y430-L434 HydrophobicContact CE1-CD2 3.71Å; Y430-L434 HydrophobicContact CE1-CG 4.3Å; Y430-L434 HydrophobicContact CE2-CD1 4.13Å; Y430-L434 HydrophobicContact CG-CD1 4.39Å; Y430-L434 WeakPolarHBondContact O-CD1 3.27Å; Y430-L434 PolarHBondContact O-N 2.89Å; L431-L434 PolarHBondContact O-N 3.38Å; L434-G438 PolarHBondContact O-N 3.47Å; L434-D439 HydrophobicContact CB-CB 4.36Å; L434-D439 HydrophobicContact CG-CB 4.34Å; L434-D439 PolarHBondContact O-N 2.88Å; L434-L440 HydrophobicContact CB-CD1 4.01Å; L434-L440 HydrophobicContact CB-CG 4.1Å; L434-L440 PolarHBondContact O-N 3.49Å
435	L	98.6	Very high	98.3	Very high	4 Å²	4	28 Å²	28	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-67.7	-43.4	169.9	-173.5	67.4	0	0	0	111.4	P392 L397 L431 T432 S433 G438 L440 T443 M489 V497	P392-L435 HydrophobicContact CG-CD1 4.11Å; L397-L435 HydrophobicContact CD1-CD2 3.96Å; L431-L435 WeakPolarHBondContact O-CB 3.41Å; L431-L435 PolarHBondContact O-N 2.85Å; T432-L435 PolarHBondContact O-N 2.82Å; S433-L435 VanDerWaalsContact C-N 3.33Å; L435-G438 PolarHBondContact O-N 2.98Å; L435-L440 HydrophobicContact CB-CB 4.31Å; L435-L440 HydrophobicContact CD1-CB 4.01Å; L435-T443 HydrophobicContact CD1-CG2 4.12Å; L435-T443 HydrophobicContact CD2-CG2 3.49Å; L435-T443 VanDerWaalsContact CD2-CG2 3.49Å; L435-T443 HydrophobicContact CG-CG2 4.45Å; L435-M489 HydrophobicContact CB-CE 4.33Å; L435-M489 HydrophobicContact CD2-CE 3.92Å; L435-M489 HydrophobicContact CG-CE 3.75Å; L435-V497 HydrophobicContact CD1-CB 3.98Å; L435-V497 HydrophobicContact CD1-CG1 3.77Å; L435-V497 HydrophobicContact CD2-CG2 4.19Å; L435-V497 HydrophobicContact CG-CB 4.32Å; L435-V497 HydrophobicContact CG-CG1 4.05Å; L435-V497 HydrophobicContact CG-CG2 4.39Å
436	A	98.1	Very high	98.2	Very high	11 Å²	11	24.3 Å²	24.3	9%	0.091	15%	0.146	C	C	.	.	H	α-helix	trans	-67.5	-36.2	179.2	0	0	0	0	0	113.7	T432 S433 G438 K488 M489 Q493	T432-A436 WeakPolarHBondContact O-CB 3.41Å; T432-A436 PolarHBondContact O-N 3.44Å; S433-A436 PolarHBondContact O-N 2.98Å; A436-G438 VanDerWaalsContact C-N 3.28Å; A436-G438 PolarHBondContact O-N 2.83Å; A436-K488 HydrophobicContact CB-CB 4.28Å; A436-K488 WeakPolarHBondContact CB-O 3.43Å; A436-M489 HydrophobicContact CB-CB 4.06Å; A436-M489 HydrophobicContact CB-CE 4.16Å; A436-Q493 PolarHBondContact O-NE2 3.28Å
437	C	97.1	Very high	98.2	Very high	83 Å²	83	20.8 Å²	20.8	56%	0.561	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-2.1	173.9	71.3	0	0	0	0	114.1	S433 D439	S433-C437 PolarHBondContact O-N 2.95Å; S433-C437 PolarHBondContact O-SG 2.65Å; C437-D439 PolarHBondContact SG-OD2 2.81Å; C437-D439 VanDerWaalsContact SG-OD2 3.34Å
438	G	97	Very high	98.2	Very high	30 Å²	30	20.8 Å²	20.8	31%	0.309	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	18.3	176.6	0	0	0	0	0	115.1	R382 L434 L435 A436 L440 Q441	R382-G438 PolarHBondContact NE-O 3Å; R382-G438 PolarHBondContact NH2-O 3.42Å; L434-G438 PolarHBondContact O-N 3.47Å; L435-G438 PolarHBondContact O-N 2.98Å; A436-G438 VanDerWaalsContact C-N 3.28Å; A436-G438 PolarHBondContact O-N 2.83Å; G438-L440 CarbonylContact C-O 3.53Å; G438-L440 WeakPolarHBondContact CA-O 3.37Å; G438-Q441 PolarHBondContact O-NE2 2.99Å
439	D	98.1	Very high	98.1	Very high	47 Å²	47	20.1 Å²	20.1	25%	0.251	12%	0.12	S	C	.	.	S	Bend	trans	-80.5	-25.2	169.2	-80	-45.8	0	0	0	112.5	I378 A379 R382 L434 C437 Q441	I378-D439 WeakPolarHBondContact CG2-O 3.36Å; A379-D439 HydrophobicContact CB-CB 3.84Å; R382-D439 WeakPolarHBondContact CD-O 3.46Å; R382-D439 IonicContact NE-OD1 3.21Å; L434-D439 HydrophobicContact CB-CB 4.36Å; L434-D439 HydrophobicContact CG-CB 4.34Å; L434-D439 PolarHBondContact O-N 2.88Å; C437-D439 PolarHBondContact SG-OD2 2.81Å; C437-D439 VanDerWaalsContact SG-OD2 3.34Å; D439-Q441 PolarHBondContact O-NE2 3.29Å
440	L	98.6	Very high	98.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-108.1	153	155.5	-56.3	171.3	0	0	0	108.6	V369 A375 I378 P392 L431 L434 L435 G438	V369-L440 HydrophobicContact CG1-CD2 4.27Å; V369-L440 HydrophobicContact CG2-CD2 4.31Å; A375-L440 HydrophobicContact CB-CD1 4.3Å; A375-L440 HydrophobicContact CB-CD2 4.41Å; I378-L440 HydrophobicContact CD1-CD2 4.19Å; I378-L440 HydrophobicContact CG2-CD2 4.4Å; P392-L440 HydrophobicContact CB-CD1 4.18Å; P392-L440 HydrophobicContact CG-CB 4.1Å; P392-L440 HydrophobicContact CG-CD1 3.8Å; P392-L440 HydrophobicContact CG-CG 4.49Å; L431-L440 HydrophobicContact CB-CD1 4.42Å; L431-L440 HydrophobicContact CD2-CD1 3.94Å; L434-L440 HydrophobicContact CB-CD1 4.01Å; L434-L440 HydrophobicContact CB-CG 4.1Å; L434-L440 PolarHBondContact O-N 3.49Å; L435-L440 HydrophobicContact CB-CB 4.31Å; L435-L440 HydrophobicContact CD1-CB 4.01Å; G438-L440 CarbonylContact C-O 3.53Å; G438-L440 WeakPolarHBondContact CA-O 3.37Å
441	Q	97.4	Very high	98	Very high	12 Å²	12	13.1 Å²	13.1	6%	0.056	9%	0.09	C	C	.	.			trans	-128.2	-24.8	-165.9	-64.1	75.5	48.2	0	0	116.1	F389 G390 G438 D439 N501	F389-Q441 HydrophobicContact CD1-CB 4.38Å; F389-Q441 HydrophobicContact CD1-CG 4.14Å; G390-Q441 PolarHBondContact O-N 3.2Å; G390-Q441 VanDerWaalsContact O-N 3.07Å; G438-Q441 PolarHBondContact O-NE2 2.99Å; D439-Q441 PolarHBondContact O-NE2 3.29Å; Q441-N501 WeakPolarHBondContact O-CB 3.37Å; Q441-N501 PolarHBondContact O-ND2 3.02Å
442	V	97.1	Very high	97.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	11%	0.105	C	C	.	.			trans	-138.8	146.1	-170.6	-172.7	0	0	0	0	108.7	V186 Y365 E391 P392 N501 A502 I505	V186-V442 HydrophobicContact CB-CG1 4.47Å; V186-V442 HydrophobicContact CG1-CG1 4.07Å; V186-V442 HydrophobicContact CG2-CG1 3.59Å; Y365-V442 HydrophobicContact CE2-CG2 4.26Å; E391-V442 WeakPolarHBondContact CA-O 3.44Å; P392-V442 WeakPolarHBondContact CD-O 3.21Å; V442-N501 HydrophobicContact CG2-CB 3.99Å; V442-A502 HydrophobicContact CG1-CB 3.98Å; V442-I505 HydrophobicContact CG2-CD1 3.52Å
443	T	98.4	Very high	97.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	13%	0.132	C	C	.	.			trans	-113.4	120.3	172.3	56.4	0	0	0	0	111.7	P392 L397 L435 R475 V479 V497	P392-T443 WeakPolarHBondContact O-CA 3.5Å; L397-T443 HydrophobicContact CD1-CG2 3.78Å; L435-T443 HydrophobicContact CD1-CG2 4.12Å; L435-T443 HydrophobicContact CD2-CG2 3.49Å; L435-T443 VanDerWaalsContact CD2-CG2 3.49Å; L435-T443 HydrophobicContact CG-CG2 4.45Å; T443-R475 PolarHBondContact O-NH1 2.91Å; T443-R475 PolarHBondContact OG1-NH1 3.41Å; T443-V479 HydrophobicContact CG2-CG1 4.47Å; T443-V479 HydrophobicContact CG2-CG2 3.9Å; T443-V497 HydrophobicContact CG2-CG2 4.44Å; T443-V497 PolarHBondContact N-O 3.15Å; T443-V497 PolarHBondContact OG1-O 3.21Å
444	G	98.4	Very high	97.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-93.6	173.8	164.4	0	0	0	0	0	111.6	D185 P392 I393 A394 R475	D185-G444 WeakPolarHBondContact OD1-CA 3.18Å; P392-G444 PolarHBondContact O-N 2.91Å; I393-G444 CarbonylContact C-O 3.5Å; I393-G444 VanDerWaalsContact CA-O 3.25Å; I393-G444 WeakPolarHBondContact CA-O 3.37Å; A394-G444 PolarHBondContact N-O 2.91Å; G444-R475 VanDerWaalsContact C-CD 3.48Å
445	S	98.3	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.123	C	C	.	.			trans	-91.7	-29.7	163.2	56.7	0	0	0	0	113	D185 N187 H447 G471	D185-S445 PolarHBondContact OD1-N 2.85Å; D185-S445 PolarHBondContact OD1-OG 2.72Å; D185-S445 WeakPolarHBondContact OD2-CB 3.44Å; D185-S445 PolarHBondContact OD2-N 3.21Å; D185-S445 PolarHBondContact OD2-OG 3.44Å; N187-S445 PolarHBondContact O-OG 2.69Å; S445-H447 PolarHBondContact O-N 2.54Å; S445-H447 WeakPolarHBondContact OG-CB 3.35Å; S445-H447 PolarHBondContact OG-N 3.19Å; S445-G471 VanDerWaalsContact CB-C 3.46Å
446	G	96.9	Very high	97.8	Very high	3 Å²	3	19.4 Å²	19.4	3%	0.031	14%	0.136	C	C	.	.			trans	65.9	24.8	-167.4	0	0	0	0	0	112.1	N187 C448	N187-G446 VanDerWaalsContact O-CA 3.24Å; N187-G446 WeakPolarHBondContact O-CA 3.34Å; N187-G446 PolarHBondContact O-N 3Å; G446-C448 PolarHBondContact O-N 3.47Å
447	H	98.6	Very high	97.8	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-69.9	112.1	-166.3	178	87.4	0	0	0	111.9	N187 Y189 D201 S445 P449 V469 G471 I472	N187-H447 PolarHBondContact O-N 2.75Å; Y189-H447 PolarHBondContact N-O 2.78Å; D201-H447 IonicContact OD2-CE1 2.66Å; D201-H447 PolarHBondContact OD2-CE1 3.47Å; D201-H447 IonicContact OD2-NE2 2.71Å; D201-H447 PolarHBondContact OD2-NE2 3.19Å; D201-H447 VanDerWaalsContact OD2-NE2 3.17Å; S445-H447 PolarHBondContact O-N 2.54Å; S445-H447 WeakPolarHBondContact OG-CB 3.35Å; S445-H447 PolarHBondContact OG-N 3.19Å; H447-P449 WeakPolarHBondContact NE2-CD 3.37Å; H447-V469 WeakPolarHBondContact CA-O 3.48Å; H447-G471 PolarHBondContact ND1-N 3.44Å; H447-I472 HydrophobicContact CB-CB 3.88Å; H447-I472 VanDerWaalsContact CE1-CG2 3.43Å; H447-I472 WeakPolarHBondContact CE1-CG2 3.4Å
448	C	98	Very high	97.8	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.027	12%	0.124	C	C	.	.			trans	-147.8	64.7	178.1	-169.1	0	0	0	0	108.9	Y189 G446 Y450 G468 V469	Y189-C448 HydrophobicContact CD2-CB 4.04Å; Y189-C448 HydrophobicContact CG-CB 4.21Å; G446-C448 PolarHBondContact O-N 3.47Å; C448-Y450 WeakPolarHBondContact O-CD2 3.44Å; C448-Y450 WeakPolarHBondContact O-CE2 3.48Å; C448-Y450 VanDerWaalsContact SG-CE2 3.56Å; C448-G468 CarbonylContact O-C 3.47Å; C448-G468 VanDerWaalsContact O-CA 3.22Å; C448-G468 WeakPolarHBondContact O-CA 3.23Å; C448-V469 CarbonylContact C-O 3.46Å; C448-V469 PolarHBondContact N-O 3.13Å; C448-V469 PolarHBondContact O-N 3.01Å
449	P	97.2	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.133	C	C	.	.			trans	-75.7	141.1	-170	34.3	-38.4	0	0	0	110.9	A200 D201 H447 N470 V543	A200-P449 PolarHBondContact N-O 3.46Å; D201-P449 HydrophobicContact CB-CG 3.79Å; H447-P449 WeakPolarHBondContact NE2-CD 3.37Å; P449-N470 HydrophobicContact CB-CB 4.5Å; P449-V543 HydrophobicContact CB-CG1 3.77Å; P449-V543 HydrophobicContact CB-CG2 4.04Å
450	Y	97.9	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.149	C	C	.	.			trans	-125	137.6	172.9	-67.3	-81.2	0	0	0	108.9	S194 C448 Q454 P466 E467 Y545	S194-Y450 WeakPolarHBondContact CB-OH 3.32Å; C448-Y450 WeakPolarHBondContact O-CD2 3.44Å; C448-Y450 WeakPolarHBondContact O-CE2 3.48Å; C448-Y450 VanDerWaalsContact SG-CE2 3.56Å; Y450-Q454 HydrophobicContact CD1-CB 4.39Å; Y450-P466 HydrophobicContact CD1-CB 3.95Å; Y450-P466 HydrophobicContact CD1-CG 4.16Å; Y450-P466 HydrophobicContact CD2-CB 3.75Å; Y450-P466 HydrophobicContact CD2-CG 4.22Å; Y450-P466 HydrophobicContact CE1-CB 4.03Å; Y450-P466 HydrophobicContact CE2-CB 3.83Å; Y450-P466 HydrophobicContact CG-CB 3.81Å; Y450-P466 HydrophobicContact CG-CG 3.9Å; Y450-E467 WeakPolarHBondContact CE2-O 3.39Å; Y450-Y545 WeakPolarHBondContact O-CE1 3.41Å; Y450-Y545 PolarHBondContact O-OH 2.8Å
451	S	97.7	Very high	97.8	Very high	22 Å²	22	26.9 Å²	26.9	15%	0.154	16%	0.159	C	C	.	.			trans	-61.7	162	-179.7	76.1	0	0	0	0	112	A453 Q454 K455 E544	S451-A453 PolarHBondContact O-N 3.47Å; S451-A453 VanDerWaalsContact O-N 3.16Å; S451-Q454 PolarHBondContact O-N 3.28Å; S451-Q454 WeakPolarHBondContact OG-CG 3.48Å; S451-Q454 PolarHBondContact OG-N 3.05Å; S451-K455 PolarHBondContact O-N 2.86Å; S451-E544 WeakPolarHBondContact CB-OE1 3.31Å
452	T	97.6	Very high	97.9	Very high	51 Å²	51	26.3 Å²	26.3	31%	0.313	16%	0.156	S	C	.	.	H	α-helix	trans	-56.1	-35.2	177.8	-53.1	0	0	0	0	111.6	A410 A456 E544	A410-T452 HydrophobicContact CB-CG2 3.92Å; T452-A456 WeakPolarHBondContact O-CB 3.42Å; T452-A456 PolarHBondContact O-N 3.14Å; T452-A456 VanDerWaalsContact O-N 3.09Å; T452-E544 WeakPolarHBondContact CB-OE2 3.2Å; T452-E544 PolarHBondContact N-OE2 3.3Å; T452-E544 PolarHBondContact OG1-OE2 3.32Å
453	A	97.5	Very high	97.9	Very high	73 Å²	73	28.3 Å²	28.3	60%	0.603	17%	0.169	S	C	*	.	H	α-helix	trans	-70.5	-39	176	0	0	0	0	0	113.1	S451 A456	S451-A453 PolarHBondContact O-N 3.47Å; S451-A453 VanDerWaalsContact O-N 3.16Å; A453-A456 PolarHBondContact O-N 3.3Å
454	Q	97.9	Very high	97.9	Very high	32 Å²	32	31.7 Å²	31.7	15%	0.15	19%	0.186	C	C	.	.	H	α-helix	trans	-67.1	-41.9	174.5	-69.4	176.4	-50.9	0	0	111.4	M197 T198 Y450 S451 A456 V457 P466	M197-Q454 HydrophobicContact SD-CB 3.94Å; M197-Q454 HydrophobicContact SD-CG 3.82Å; T198-Q454 PolarHBondContact O-NE2 2.72Å; Y450-Q454 HydrophobicContact CD1-CB 4.39Å; S451-Q454 PolarHBondContact O-N 3.28Å; S451-Q454 WeakPolarHBondContact OG-CG 3.48Å; S451-Q454 PolarHBondContact OG-N 3.05Å; Q454-A456 VanDerWaalsContact C-N 3.26Å; Q454-A456 PolarHBondContact O-N 3.31Å; Q454-V457 WeakPolarHBondContact O-CG2 3.46Å; Q454-V457 PolarHBondContact O-N 3.45Å; Q454-P466 WeakPolarHBondContact O-CD 3.49Å; Q454-P466 WeakPolarHBondContact O-CG 3.41Å
455	K	98.3	Very high	97.9	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.013	19%	0.187	C	C	.	.	H	α-helix	trans	-56.5	-42.1	172.8	-71.1	-72.8	-170.5	175.1	0	111.1	W409 A413 V416 S451 V457 G458 I465 P466 G468 Y545	W409-K455 HydrophobicContact CH2-CB 4.41Å; W409-K455 WeakPolarHBondContact CH2-O 3.3Å; A413-K455 HydrophobicContact CB-CB 4.3Å; A413-K455 WeakPolarHBondContact O-CD 3.4Å; A413-K455 WeakPolarHBondContact O-CE 3.21Å; A413-K455 PolarHBondContact O-NZ 3.43Å; V416-K455 PolarHBondContact O-NZ 3.25Å; S451-K455 PolarHBondContact O-N 2.86Å; K455-V457 PolarHBondContact O-N 2.77Å; K455-G458 PolarHBondContact O-N 3.47Å; K455-G458 VanDerWaalsContact O-N 3.16Å; K455-I465 HydrophobicContact CB-CG2 4.47Å; K455-I465 HydrophobicContact CD-CG2 3.59Å; K455-P466 HydrophobicContact CD-CG 4.33Å; K455-P466 PolarHBondContact NZ-O 2.96Å; K455-G468 PolarHBondContact NZ-O 3.13Å; K455-Y545 WeakPolarHBondContact CE-OH 3.5Å
456	A	97.8	Very high	97.8	Very high	35 Å²	35	32 Å²	32	29%	0.289	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-63.2	-7.6	-176.7	0	0	0	0	0	115.9	W409 T452 A453 Q454 G458 K459	W409-A456 HydrophobicContact CH2-CB 4.43Å; W409-A456 HydrophobicContact CZ3-CB 4.2Å; T452-A456 WeakPolarHBondContact O-CB 3.42Å; T452-A456 PolarHBondContact O-N 3.14Å; T452-A456 VanDerWaalsContact O-N 3.09Å; A453-A456 PolarHBondContact O-N 3.3Å; Q454-A456 VanDerWaalsContact C-N 3.26Å; Q454-A456 PolarHBondContact O-N 3.31Å; A456-G458 PolarHBondContact O-N 3.09Å; A456-K459 VanDerWaalsContact O-CB 3.31Å; A456-K459 WeakPolarHBondContact O-CB 3.5Å; A456-K459 WeakPolarHBondContact O-CG 3.24Å; A456-K459 PolarHBondContact O-N 3.17Å; A456-K459 VanDerWaalsContact O-N 3.12Å
457	V	97.6	Very high	97.8	Very high	68 Å²	68	33.3 Å²	33.3	41%	0.412	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-55.3	-37	167.7	173.3	0	0	0	0	111.2	M197 Q454 K455	M197-V457 HydrophobicContact CE-CB 4.41Å; M197-V457 HydrophobicContact CE-CG2 3.85Å; M197-V457 HydrophobicContact SD-CG2 4.05Å; Q454-V457 WeakPolarHBondContact O-CG2 3.46Å; Q454-V457 PolarHBondContact O-N 3.45Å; K455-V457 PolarHBondContact O-N 2.77Å
458	G	97.6	Very high	97.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-93	23.6	176.1	0	0	0	0	0	115.7	K455 A456 D460 N461	K455-G458 PolarHBondContact O-N 3.47Å; K455-G458 VanDerWaalsContact O-N 3.16Å; A456-G458 PolarHBondContact O-N 3.09Å; G458-D460 PolarHBondContact O-N 3.42Å; G458-N461 CarbonylContact C-O 3.56Å; G458-N461 WeakPolarHBondContact CA-O 3.39Å; G458-N461 CarbonylContact O-C 3.39Å; G458-N461 PolarHBondContact O-N 2.76Å; G458-N461 VanDerWaalsContact O-N 3.15Å
459	K	97.9	Very high	97.8	Very high	112 Å²	112	33.2 Å²	33.2	49%	0.487	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-31.8	-176.4	70	178	-170.9	63.4	0	114.8	W409 A456	W409-K459 HydrophobicContact CH2-CB 4.39Å; W409-K459 VanDerWaalsContact CZ2-CA 3.45Å; W409-K459 HydrophobicContact CZ2-CB 4.11Å; W409-K459 PolarHBondContact NE1-O 3.43Å; A456-K459 VanDerWaalsContact O-CB 3.31Å; A456-K459 WeakPolarHBondContact O-CB 3.5Å; A456-K459 WeakPolarHBondContact O-CG 3.24Å; A456-K459 PolarHBondContact O-N 3.17Å; A456-K459 VanDerWaalsContact O-N 3.12Å
460	D	97.9	Very high	97.8	Very high	109 Å²	109	33.2 Å²	33.2	58%	0.583	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.4	2.4	178.8	-45.1	-53.8	0	0	0	112.4	T332 G458	T332-D460 WeakPolarHBondContact CB-O 3.38Å; T332-D460 WeakPolarHBondContact CG2-O 3.17Å; G458-D460 PolarHBondContact O-N 3.42Å
461	N	98.4	Very high	97.8	Very high	39 Å²	39	33.2 Å²	33.2	21%	0.209	19%	0.193	C	C	.	.			trans	-160.2	109	177.2	177.2	2.9	0	0	0	110.4	L327 G458 T463 L464	L327-N461 WeakPolarHBondContact CD2-OD1 3.43Å; G458-N461 CarbonylContact C-O 3.56Å; G458-N461 WeakPolarHBondContact CA-O 3.39Å; G458-N461 CarbonylContact O-C 3.39Å; G458-N461 PolarHBondContact O-N 2.76Å; G458-N461 VanDerWaalsContact O-N 3.15Å; N461-T463 PolarHBondContact ND2-OG1 2.73Å; N461-T463 VanDerWaalsContact ND2-OG1 3.1Å; N461-T463 PolarHBondContact O-N 2.88Å; N461-T463 VanDerWaalsContact O-N 3.13Å; N461-T463 PolarHBondContact OD1-N 3.32Å; N461-T463 PolarHBondContact OD1-OG1 2.6Å; N461-T463 VanDerWaalsContact OD1-OG1 3.07Å; N461-L464 HydrophobicContact CB-CD1 4.25Å; N461-L464 HydrophobicContact CB-CG 4.37Å; N461-L464 PolarHBondContact O-N 3.2Å
462	F	98.6	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-56.6	-28.3	-179.8	72.5	-92.2	0	0	0	114.7	Q323 I326 L327 I331 T332 G333 G336 H337 L464 I465	Q323-F462 HydrophobicContact CB-CZ 4.48Å; Q323-F462 HydrophobicContact CG-CE2 4.05Å; Q323-F462 HydrophobicContact CG-CZ 4.35Å; I326-F462 HydrophobicContact CB-CE1 4.38Å; I326-F462 HydrophobicContact CB-CZ 4.25Å; I326-F462 HydrophobicContact CG2-CE1 3.64Å; I326-F462 HydrophobicContact CG2-CZ 3.84Å; L327-F462 HydrophobicContact CD2-CD1 3.91Å; L327-F462 HydrophobicContact CD2-CE1 3.6Å; L327-F462 HydrophobicContact CG-CE1 3.78Å; L327-F462 HydrophobicContact CG-CZ 4.32Å; I331-F462 WeakPolarHBondContact O-CE1 3.42Å; T332-F462 PolarHBondContact O-N 2.9Å; G333-F462 WeakPolarHBondContact O-CB 3.28Å; G336-F462 VanDerWaalsContact C-CE2 3.43Å; G336-F462 WeakPolarHBondContact O-CE2 3.49Å; G336-F462 WeakPolarHBondContact O-CZ 3.45Å; H337-F462 HydrophobicContact CB-CB 4.5Å; H337-F462 HydrophobicContact CB-CD2 3.75Å; H337-F462 HydrophobicContact CB-CE2 4.41Å; H337-F462 HydrophobicContact CB-CG 4.43Å; H337-F462 VanDerWaalsContact N-CD2 3.28Å; F462-L464 PolarHBondContact O-N 3.03Å; F462-L464 VanDerWaalsContact O-N 3.13Å; F462-I465 HydrophobicContact CB-CD1 4.14Å; F462-I465 WeakPolarHBondContact O-CB 3.38Å; F462-I465 PolarHBondContact O-N 2.97Å; F462-I465 VanDerWaalsContact O-N 3.07Å
463	T	97.9	Very high	97.9	Very high	43 Å²	43	30.1 Å²	30.1	26%	0.264	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-69.2	-9.9	179	78.6	0	0	0	0	113	Q323 L327 N461	Q323-T463 HydrophobicContact CB-CG2 4.03Å; Q323-T463 HydrophobicContact CG-CG2 4.05Å; L327-T463 HydrophobicContact CD1-CG2 3.84Å; N461-T463 PolarHBondContact ND2-OG1 2.73Å; N461-T463 VanDerWaalsContact ND2-OG1 3.1Å; N461-T463 PolarHBondContact O-N 2.88Å; N461-T463 VanDerWaalsContact O-N 3.13Å; N461-T463 PolarHBondContact OD1-N 3.32Å; N461-T463 PolarHBondContact OD1-OG1 2.6Å; N461-T463 VanDerWaalsContact OD1-OG1 3.07Å
464	L	97.8	Very high	98	Very high	70 Å²	70	26.9 Å²	26.9	37%	0.366	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-102.8	-1.5	175.5	-58.9	178.4	0	0	0	112.9	Q195 N461 F462 P466	Q195-L464 PolarHBondContact NE2-O 3.05Å; N461-L464 HydrophobicContact CB-CD1 4.25Å; N461-L464 HydrophobicContact CB-CG 4.37Å; N461-L464 PolarHBondContact O-N 3.2Å; F462-L464 PolarHBondContact O-N 3.03Å; F462-L464 VanDerWaalsContact O-N 3.13Å; L464-P466 WeakPolarHBondContact O-CD 3.36Å
465	I	98.4	Very high	98	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.026	14%	0.138	C	C	.	.	S	Bend	trans	-71.9	122.4	173.6	-58.8	172.9	0	0	0	108	P334 W409 A413 V416 K455 F462 E467	P334-I465 HydrophobicContact CB-CD1 4.31Å; P334-I465 HydrophobicContact CG-CD1 3.9Å; W409-I465 HydrophobicContact CH2-CD1 4.47Å; W409-I465 HydrophobicContact CZ2-CD1 3.72Å; W409-I465 HydrophobicContact CZ2-CG1 4.05Å; A413-I465 HydrophobicContact CB-CD1 4.23Å; A413-I465 HydrophobicContact CB-CG2 4.42Å; V416-I465 HydrophobicContact CB-CG2 3.87Å; V416-I465 HydrophobicContact CG1-CB 4.15Å; V416-I465 HydrophobicContact CG1-CG2 3.87Å; V416-I465 HydrophobicContact CG2-CD1 4.17Å; V416-I465 HydrophobicContact CG2-CG2 4.12Å; K455-I465 HydrophobicContact CB-CG2 4.47Å; K455-I465 HydrophobicContact CD-CG2 3.59Å; F462-I465 HydrophobicContact CB-CD1 4.14Å; F462-I465 WeakPolarHBondContact O-CB 3.38Å; F462-I465 PolarHBondContact O-N 2.97Å; F462-I465 VanDerWaalsContact O-N 3.07Å; I465-E467 PolarHBondContact O-N 2.78Å
466	P	97.3	Very high	98	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.013	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-62	125.2	176.1	24.3	-34.5	0	0	0	111.3	M197 Y450 Q454 K455 L464	M197-P466 HydrophobicContact CE-CG 4.29Å; Y450-P466 HydrophobicContact CD1-CB 3.95Å; Y450-P466 HydrophobicContact CD1-CG 4.16Å; Y450-P466 HydrophobicContact CD2-CB 3.75Å; Y450-P466 HydrophobicContact CD2-CG 4.22Å; Y450-P466 HydrophobicContact CE1-CB 4.03Å; Y450-P466 HydrophobicContact CE2-CB 3.83Å; Y450-P466 HydrophobicContact CG-CB 3.81Å; Y450-P466 HydrophobicContact CG-CG 3.9Å; Q454-P466 WeakPolarHBondContact O-CD 3.49Å; Q454-P466 WeakPolarHBondContact O-CG 3.41Å; K455-P466 HydrophobicContact CD-CG 4.33Å; K455-P466 PolarHBondContact NZ-O 2.96Å; L464-P466 WeakPolarHBondContact O-CD 3.36Å
467	E	96.7	Very high	98.1	Very high	31 Å²	31	23.7 Å²	23.7	15%	0.145	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-80.5	122.7	-174.2	-60.8	171.6	179.5	0	0	111.6	Y284 H337 R341 V416 S418 Y450 I465	Y284-E467 WeakPolarHBondContact CE1-OE2 3.23Å; Y284-E467 VanDerWaalsContact CZ-OE2 3.31Å; Y284-E467 PolarHBondContact OH-OE2 3.07Å; H337-E467 IonicContact CE1-OE1 3.76Å; R341-E467 IonicContact CZ-OE1 3.69Å; R341-E467 IonicContact NH1-OE1 3.65Å; R341-E467 PolarHBondContact NH1-OE1 3.46Å; R341-E467 IonicContact NH1-OE2 3.53Å; R341-E467 IonicContact NH2-OE1 2.77Å; R341-E467 PolarHBondContact NH2-OE1 2.91Å; V416-E467 HydrophobicContact CG1-CG 4.36Å; S418-E467 VanDerWaalsContact CB-OE2 3.28Å; S418-E467 WeakPolarHBondContact CB-OE2 3.31Å; Y450-E467 WeakPolarHBondContact CE2-O 3.39Å; I465-E467 PolarHBondContact O-N 2.78Å
468	G	97	Very high	98.1	Very high	2 Å²	2	20.4 Å²	20.4	2%	0.021	10%	0.104	C	C	.	.			trans	152.7	157.5	178.8	0	0	0	0	0	113.4	V416 C448 K455	V416-G468 PolarHBondContact O-N 2.98Å; C448-G468 CarbonylContact O-C 3.47Å; C448-G468 VanDerWaalsContact O-CA 3.22Å; C448-G468 WeakPolarHBondContact O-CA 3.23Å; K455-G468 PolarHBondContact NZ-O 3.13Å
469	V	98.4	Very high	98.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-138.6	168.9	-173.5	-70.2	0	0	0	0	111.5	A395 T417 H447 C448 I547	A395-V469 HydrophobicContact CB-CG2 4.09Å; T417-V469 HydrophobicContact CG2-CG1 4.32Å; H447-V469 WeakPolarHBondContact CA-O 3.48Å; C448-V469 CarbonylContact C-O 3.46Å; C448-V469 PolarHBondContact N-O 3.13Å; C448-V469 PolarHBondContact O-N 3.01Å; V469-I547 HydrophobicContact CB-CD1 4Å; V469-I547 HydrophobicContact CB-CG2 4.18Å; V469-I547 HydrophobicContact CG1-CD1 4.39Å; V469-I547 HydrophobicContact CG1-CG2 3.99Å; V469-I547 HydrophobicContact CG2-CD1 4.17Å
470	N	98.3	Very high	98.2	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.084	C	C	.	.			trans	-81.9	170.6	167.8	76	-82.3	0	0	0	111.8	P449 E474 N546 I547	P449-N470 HydrophobicContact CB-CB 4.5Å; N470-E474 PolarHBondContact ND2-OE1 3.07Å; N470-E474 PolarHBondContact ND2-OE2 3.26Å; N470-N546 VanDerWaalsContact ND2-CG 3.28Å; N470-N546 PolarHBondContact ND2-ND2 2.67Å; N470-N546 PolarHBondContact ND2-OD1 2.92Å; N470-N546 WeakPolarHBondContact OD1-CA 3.38Å; N470-I547 PolarHBondContact OD1-N 3.29Å
471	G	98.1	Very high	98.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.			trans	159.7	-11.9	178.5	0	0	0	0	0	116.3	S445 H447 E473 E474 R475	S445-G471 VanDerWaalsContact CB-C 3.46Å; H447-G471 PolarHBondContact ND1-N 3.44Å; G471-E473 PolarHBondContact O-N 3.46Å; G471-E474 VanDerWaalsContact C-OE2 3.25Å; G471-E474 WeakPolarHBondContact CA-OE2 3.23Å; G471-E474 PolarHBondContact N-OE2 3.21Å; G471-E474 PolarHBondContact O-N 2.85Å; G471-R475 WeakPolarHBondContact O-CB 3.27Å; G471-R475 PolarHBondContact O-N 2.83Å
472	I	98.6	Very high	98.2	Very high	2 Å²	2	12 Å²	12	1%	0.01	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-33.9	-173	-161.1	169.4	0	0	0	113.8	T188 A209 A210 I218 H447	T188-I472 HydrophobicContact CG2-CD1 3.74Å; T188-I472 HydrophobicContact CG2-CG1 4.34Å; A209-I472 HydrophobicContact CB-CG2 3.85Å; A210-I472 HydrophobicContact CB-CD1 3.99Å; A210-I472 HydrophobicContact CB-CG1 3.79Å; I218-I472 HydrophobicContact CG2-CD1 4.08Å; H447-I472 HydrophobicContact CB-CB 3.88Å; H447-I472 VanDerWaalsContact CE1-CG2 3.43Å; H447-I472 WeakPolarHBondContact CE1-CG2 3.4Å
473	E	98.6	Very high	98.2	Very high	6 Å²	6	12 Å²	12	3%	0.028	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-35.7	171.9	-174.6	-175.4	138.2	0	0	110.6	A209 V212 G213 G471 K532 H539 K540	A209-E473 HydrophobicContact CB-CB 4.27Å; V212-E473 HydrophobicContact CB-CG 4.34Å; V212-E473 HydrophobicContact CG1-CG 4.19Å; G213-E473 WeakPolarHBondContact CA-O 3.47Å; G471-E473 PolarHBondContact O-N 3.46Å; E473-K532 IonicContact OE1-NZ 2.67Å; E473-K532 PolarHBondContact OE1-NZ 3.11Å; E473-H539 VanDerWaalsContact OE2-CA 3.24Å; E473-H539 WeakPolarHBondContact OE2-CA 3.19Å; E473-H539 WeakPolarHBondContact OE2-CB 3.28Å; E473-K540 PolarHBondContact OE2-N 3.25Å
474	E	98.5	Very high	98.2	Very high	5 Å²	5	11.1 Å²	11.1	2%	0.023	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-25.6	-168.8	-61.4	83.5	-174	0	0	113.7	N470 G471 M476 T477 V478 I534 H539 N546 F548	N470-E474 PolarHBondContact ND2-OE1 3.07Å; N470-E474 PolarHBondContact ND2-OE2 3.26Å; G471-E474 VanDerWaalsContact C-OE2 3.25Å; G471-E474 WeakPolarHBondContact CA-OE2 3.23Å; G471-E474 PolarHBondContact N-OE2 3.21Å; G471-E474 PolarHBondContact O-N 2.85Å; E474-M476 PolarHBondContact O-N 3.31Å; E474-T477 PolarHBondContact O-N 3.34Å; E474-T477 VanDerWaalsContact O-N 3.1Å; E474-V478 HydrophobicContact CB-CG2 4.04Å; E474-V478 WeakPolarHBondContact O-CG2 3.44Å; E474-V478 PolarHBondContact O-N 2.83Å; E474-I534 HydrophobicContact CB-CD1 4.29Å; E474-I534 HydrophobicContact CG-CD1 4.1Å; E474-I534 HydrophobicContact CG-CG2 3.88Å; E474-H539 IonicContact OE1-ND1 3.17Å; E474-N546 PolarHBondContact OE1-ND2 3.42Å; E474-F548 HydrophobicContact CB-CD2 3.78Å; E474-F548 HydrophobicContact CB-CE2 3.85Å; E474-F548 HydrophobicContact CG-CD2 3.83Å; E474-F548 HydrophobicContact CG-CE2 4.28Å
475	R	98.8	Very high	98.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-44.4	-54.1	-170.1	-174.9	-176.9	67.9	102.9	5.6	114.1	I184 D185 T215 A394 T443 G444 G471 V479 T498	I184-R475 PolarHBondContact O-NH1 3.15Å; I184-R475 PolarHBondContact O-NH2 3.22Å; D185-R475 IonicContact OD2-NE 3.92Å; T215-R475 PolarHBondContact OG1-NH2 3.12Å; A394-R475 HydrophobicContact CB-CB 4.16Å; A394-R475 HydrophobicContact CB-CG 4.29Å; T443-R475 PolarHBondContact O-NH1 2.91Å; T443-R475 PolarHBondContact OG1-NH1 3.41Å; G444-R475 VanDerWaalsContact C-CD 3.48Å; G471-R475 WeakPolarHBondContact O-CB 3.27Å; G471-R475 PolarHBondContact O-N 2.83Å; R475-V479 WeakPolarHBondContact O-CB 3.46Å; R475-V479 WeakPolarHBondContact O-CG2 3.34Å; R475-V479 PolarHBondContact O-N 2.78Å; R475-T498 PolarHBondContact NH1-O 2.89Å; R475-T498 VanDerWaalsContact NH1-O 3.14Å; R475-T498 PolarHBondContact NH2-O 3.25Å
476	M	98.6	Very high	98.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.9	-41.8	-175.9	-67.4	-165.7	69.8	0	0	112.5	I180 E474 W480 F494 W526	I180-M476 HydrophobicContact CD1-CE 3.72Å; E474-M476 PolarHBondContact O-N 3.31Å; M476-W480 VanDerWaalsContact O-CB 3.28Å; M476-W480 WeakPolarHBondContact O-CB 3.45Å; M476-W480 PolarHBondContact O-N 3.15Å; M476-F494 HydrophobicContact CB-CZ 4.29Å; M476-F494 HydrophobicContact CE-CE1 3.85Å; M476-F494 HydrophobicContact CE-CZ 3.74Å; M476-F494 WeakPolarHBondContact O-CE2 3.39Å; M476-W526 HydrophobicContact CB-CH2 3.81Å; M476-W526 HydrophobicContact CB-CZ3 3.91Å; M476-W526 HydrophobicContact CE-CZ3 4.49Å
477	T	98.3	Very high	98.1	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-68.1	-39.9	177.9	-73.1	0	0	0	0	111.5	E474 W480 D481 C553 G555	E474-T477 PolarHBondContact O-N 3.34Å; E474-T477 VanDerWaalsContact O-N 3.1Å; T477-W480 PolarHBondContact O-N 3.35Å; T477-D481 WeakPolarHBondContact O-CB 3.43Å; T477-D481 PolarHBondContact O-N 3.44Å; T477-C553 HydrophobicContact CG2-CB 3.26Å; T477-G555 WeakPolarHBondContact CB-O 3.49Å; T477-G555 WeakPolarHBondContact CG2-O 3.28Å; T477-G555 PolarHBondContact OG1-O 3.35Å
478	V	98.6	Very high	98.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.9	-46.4	175.5	170.7	0	0	0	0	111.1	E474 W480 D481 K482 I534 F548	E474-V478 HydrophobicContact CB-CG2 4.04Å; E474-V478 WeakPolarHBondContact O-CG2 3.44Å; E474-V478 PolarHBondContact O-N 2.83Å; V478-W480 VanDerWaalsContact C-N 3.35Å; V478-W480 PolarHBondContact O-N 3.14Å; V478-D481 PolarHBondContact O-N 2.72Å; V478-K482 HydrophobicContact CG1-CG 4.26Å; V478-K482 VanDerWaalsContact O-CB 3.3Å; V478-K482 WeakPolarHBondContact O-CB 3.43Å; V478-K482 WeakPolarHBondContact O-CG 3.31Å; V478-K482 PolarHBondContact O-N 3.01Å; V478-I534 HydrophobicContact CG2-CD1 4.03Å; V478-F548 HydrophobicContact CG2-CD1 4.34Å; V478-F548 HydrophobicContact CG2-CD2 4.39Å; V478-F548 HydrophobicContact CG2-CE1 4.38Å; V478-F548 HydrophobicContact CG2-CE2 4.43Å; V478-F548 HydrophobicContact CG2-CG 4.33Å; V478-F548 HydrophobicContact CG2-CZ 4.42Å
479	V	98.6	Very high	98.2	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-65.2	-39.5	178	175.9	0	0	0	0	111	L397 T443 R475 A483 F494 V497 T498	L397-V479 HydrophobicContact CD1-CG2 3.95Å; T443-V479 HydrophobicContact CG2-CG1 4.47Å; T443-V479 HydrophobicContact CG2-CG2 3.9Å; R475-V479 WeakPolarHBondContact O-CB 3.46Å; R475-V479 WeakPolarHBondContact O-CG2 3.34Å; R475-V479 PolarHBondContact O-N 2.78Å; V479-A483 WeakPolarHBondContact O-CB 3.49Å; V479-A483 PolarHBondContact O-N 3.11Å; V479-F494 HydrophobicContact CB-CE2 4.2Å; V479-F494 HydrophobicContact CG1-CD2 3.93Å; V479-F494 HydrophobicContact CG1-CE2 4.04Å; V479-V497 HydrophobicContact CG1-CG2 4.23Å; V479-T498 HydrophobicContact CB-CG2 4.35Å; V479-T498 HydrophobicContact CG1-CG2 3.99Å
480	W	98.8	Very high	98.2	Very high	13 Å²	13	22.2 Å²	22.2	5%	0.049	14%	0.138	C	C	.	.	I	π-helix	trans	-61.5	-53.1	175.8	-178	-86.5	0	0	0	112	M178 M476 T477 V478 V484 A485 E491 F494 W526 P528 H554 G555	M178-W480 HydrophobicContact CE-CH2 3.5Å; M178-W480 HydrophobicContact CE-CZ3 3.62Å; M178-W480 HydrophobicContact SD-CH2 3.56Å; M178-W480 VanDerWaalsContact SD-CH2 3.56Å; M178-W480 HydrophobicContact SD-CZ2 4.26Å; M178-W480 HydrophobicContact SD-CZ3 4.14Å; M476-W480 VanDerWaalsContact O-CB 3.28Å; M476-W480 WeakPolarHBondContact O-CB 3.45Å; M476-W480 PolarHBondContact O-N 3.15Å; T477-W480 PolarHBondContact O-N 3.35Å; V478-W480 VanDerWaalsContact C-N 3.35Å; V478-W480 PolarHBondContact O-N 3.14Å; W480-V484 HydrophobicContact CD2-CB 4Å; W480-V484 HydrophobicContact CD2-CG1 4.31Å; W480-V484 HydrophobicContact CD2-CG2 4.24Å; W480-V484 HydrophobicContact CE3-CB 4.07Å; W480-V484 HydrophobicContact CE3-CG1 4.24Å; W480-V484 HydrophobicContact CE3-CG2 3.88Å; W480-V484 HydrophobicContact CG-CB 4.47Å; W480-V484 HydrophobicContact CH2-CB 4.33Å; W480-V484 HydrophobicContact CH2-CG1 3.62Å; W480-V484 HydrophobicContact CZ2-CB 4.27Å; W480-V484 HydrophobicContact CZ2-CG1 3.7Å; W480-V484 HydrophobicContact CZ3-CB 4.24Å; W480-V484 HydrophobicContact CZ3-CG1 3.91Å; W480-V484 HydrophobicContact CZ3-CG2 4.08Å; W480-V484 WeakPolarHBondContact O-CA 3.26Å; W480-V484 WeakPolarHBondContact O-CB 3.5Å; W480-V484 PolarHBondContact O-N 3.45Å; W480-A485 PolarHBondContact O-N 3.46Å; W480-E491 HydrophobicContact CH2-CB 4.31Å; W480-E491 HydrophobicContact CZ3-CB 4.38Å; W480-F494 HydrophobicContact CB-CD2 4.42Å; W480-F494 HydrophobicContact CB-CE2 3.81Å; W480-F494 HydrophobicContact CB-CZ 4.22Å; W480-F494 AromaticContact CE3-CD1 3.72Å; W480-F494 HydrophobicContact CE3-CD1 3.72Å; W480-F494 AromaticContact CE3-CD2 3.92Å; W480-F494 HydrophobicContact CE3-CD2 3.92Å; W480-F494 AromaticContact CE3-CE1 3.77Å; W480-F494 HydrophobicContact CE3-CE1 3.77Å; W480-F494 AromaticContact CE3-CE2 3.98Å; W480-F494 HydrophobicContact CE3-CE2 3.98Å; W480-F494 AromaticContact CE3-CG 3.79Å; W480-F494 HydrophobicContact CE3-CG 3.79Å; W480-F494 AromaticContact CE3-CZ 3.9Å; W480-F494 HydrophobicContact CE3-CZ 3.9Å; W480-F494 HydrophobicContact CZ3-CB 4.49Å; W480-F494 AromaticContact CZ3-CD1 3.87Å; W480-F494 HydrophobicContact CZ3-CD1 3.87Å; W480-F494 HydrophobicContact CZ3-CE1 4.24Å; W480-F494 HydrophobicContact CZ3-CG 4.1Å; W480-W526 HydrophobicContact CB-CZ2 3.71Å; W480-W526 HydrophobicContact CD2-CZ2 4.17Å; W480-W526 AromaticContact CD2-NE1 3.4Å; W480-W526 AromaticContact CE2-NE1 3.7Å; W480-W526 HydrophobicContact CE3-CZ2 4.48Å; W480-W526 AromaticContact CE3-NE1 3.55Å; W480-W526 AromaticContact CG-CZ2 3.82Å; W480-W526 HydrophobicContact CG-CZ2 3.82Å; W480-W526 AromaticContact CG-NE1 3.88Å; W480-P528 HydrophobicContact CH2-CB 4.09Å; W480-P528 HydrophobicContact CZ2-CB 3.33Å; W480-P528 PolarHBondContact NE1-O 2.78Å; W480-H554 VanDerWaalsContact CD1-O 3.3Å; W480-G555 VanDerWaalsContact CD1-CA 3.41Å
481	D	98.3	Very high	98.2	Very high	15 Å²	15	24 Å²	24	8%	0.08	15%	0.147	C	C	.	.	I	π-helix	trans	-62.1	-47.2	-178.3	-177.2	78.5	0	0	0	111.8	T477 V478 C553 H554	T477-D481 WeakPolarHBondContact O-CB 3.43Å; T477-D481 PolarHBondContact O-N 3.44Å; V478-D481 PolarHBondContact O-N 2.72Å; D481-C553 HydrophobicContact CB-CB 3.8Å; D481-C553 WeakPolarHBondContact OD1-CA 3.28Å; D481-H554 IonicContact OD1-CE1 3.9Å; D481-H554 IonicContact OD1-CG 3.69Å; D481-H554 PolarHBondContact OD1-N 3.22Å; D481-H554 IonicContact OD1-ND1 2.85Å; D481-H554 PolarHBondContact OD1-ND1 3.23Å
482	K	98.1	Very high	98.2	Very high	53 Å²	53	25.3 Å²	25.3	23%	0.23	15%	0.154	C	C	.	.	I	π-helix	trans	-75.9	-30.9	-174.1	-60.9	-71.8	172.4	-96.6	0	113.3	T432 V478 T486	T432-K482 WeakPolarHBondContact CG2-O 3.35Å; V478-K482 HydrophobicContact CG1-CG 4.26Å; V478-K482 VanDerWaalsContact O-CB 3.3Å; V478-K482 WeakPolarHBondContact O-CB 3.43Å; V478-K482 WeakPolarHBondContact O-CG 3.31Å; V478-K482 PolarHBondContact O-N 3.01Å; K482-T486 WeakPolarHBondContact O-CG2 3.35Å; K482-T486 PolarHBondContact O-OG1 3.31Å
483	A	97.8	Very high	98.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	17%	0.168	C	C	.	.	I	π-helix	trans	-105.2	-44.7	-176.3	0	0	0	0	0	114.3	T432 V479 T486 K488 M489	T432-A483 HydrophobicContact CG2-CB 3.63Å; V479-A483 WeakPolarHBondContact O-CB 3.49Å; V479-A483 PolarHBondContact O-N 3.11Å; A483-T486 PolarHBondContact O-OG1 3.46Å; A483-K488 WeakPolarHBondContact O-CA 3.4Å; A483-K488 WeakPolarHBondContact O-CB 3.47Å; A483-K488 PolarHBondContact O-N 2.83Å; A483-M489 HydrophobicContact CB-CB 3.76Å; A483-M489 HydrophobicContact CB-CE 3.85Å; A483-M489 HydrophobicContact CB-CG 4.45Å; A483-M489 HydrophobicContact CB-SD 3.92Å; A483-M489 PolarHBondContact O-N 3.16Å
484	V	98.4	Very high	98.3	Very high	24 Å²	24	28.1 Å²	28.1	15%	0.145	17%	0.167	C	C	.	.	I	π-helix	trans	-91.1	-49.1	-172.3	-171.7	0	0	0	0	111.4	W480 T486 G487 M489 F494	W480-V484 HydrophobicContact CD2-CB 4Å; W480-V484 HydrophobicContact CD2-CG1 4.31Å; W480-V484 HydrophobicContact CD2-CG2 4.24Å; W480-V484 HydrophobicContact CE3-CB 4.07Å; W480-V484 HydrophobicContact CE3-CG1 4.24Å; W480-V484 HydrophobicContact CE3-CG2 3.88Å; W480-V484 HydrophobicContact CG-CB 4.47Å; W480-V484 HydrophobicContact CH2-CB 4.33Å; W480-V484 HydrophobicContact CH2-CG1 3.62Å; W480-V484 HydrophobicContact CZ2-CB 4.27Å; W480-V484 HydrophobicContact CZ2-CG1 3.7Å; W480-V484 HydrophobicContact CZ3-CB 4.24Å; W480-V484 HydrophobicContact CZ3-CG1 3.91Å; W480-V484 HydrophobicContact CZ3-CG2 4.08Å; W480-V484 WeakPolarHBondContact O-CA 3.26Å; W480-V484 WeakPolarHBondContact O-CB 3.5Å; W480-V484 PolarHBondContact O-N 3.45Å; V484-T486 PolarHBondContact O-N 2.77Å; V484-G487 PolarHBondContact O-N 3.33Å; V484-M489 WeakPolarHBondContact CA-O 3.39Å; V484-M489 HydrophobicContact CG2-CB 4.45Å; V484-F494 HydrophobicContact CG2-CB 3.71Å; V484-F494 HydrophobicContact CG2-CD2 4.03Å; V484-F494 HydrophobicContact CG2-CG 4.1Å
485	A	97.6	Very high	98.3	Very high	51 Å²	51	28 Å²	28	42%	0.421	17%	0.166	S	C	.	.	I	π-helix	trans	-66.4	-23.7	179.5	0	0	0	0	0	112.9	W480 G487 H554	W480-A485 PolarHBondContact O-N 3.46Å; A485-G487 VanDerWaalsContact C-N 3.34Å; A485-H554 HydrophobicContact CB-CB 3.93Å
486	T	96.9	Very high	98.3	Very high	79 Å²	79	28.6 Å²	28.6	49%	0.485	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-6.9	170.8	59.1	0	0	0	0	114.2	K482 A483 V484 K488	K482-T486 WeakPolarHBondContact O-CG2 3.35Å; K482-T486 PolarHBondContact O-OG1 3.31Å; A483-T486 PolarHBondContact O-OG1 3.46Å; V484-T486 PolarHBondContact O-N 2.77Å; T486-K488 VanDerWaalsContact C-N 3.35Å
487	G	97.6	Very high	98.3	Very high	66 Å²	66	28.9 Å²	28.9	68%	0.68	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	16.9	-179.4	0	0	0	0	0	115.3	V484 A485	V484-G487 PolarHBondContact O-N 3.33Å; A485-G487 VanDerWaalsContact C-N 3.34Å
488	K	98	Very high	98.3	Very high	63 Å²	63	28.8 Å²	28.8	27%	0.274	17%	0.173	S	C	.	.	S	Bend	trans	-78.1	-32.7	175.1	-69.3	-175.9	166.8	-170.6	0	112.9	D429 T432 S433 A436 A483 T486	D429-K488 PolarHBondContact O-NZ 2.84Å; D429-K488 IonicContact OD1-NZ 3.21Å; D429-K488 PolarHBondContact OD1-NZ 3.18Å; D429-K488 IonicContact OD2-NZ 3.67Å; D429-K488 PolarHBondContact OD2-NZ 3.29Å; T432-K488 HydrophobicContact CG2-CD 4.05Å; S433-K488 PolarHBondContact OG-NZ 3.49Å; A436-K488 HydrophobicContact CB-CB 4.28Å; A436-K488 WeakPolarHBondContact CB-O 3.43Å; A483-K488 WeakPolarHBondContact O-CA 3.4Å; A483-K488 WeakPolarHBondContact O-CB 3.47Å; A483-K488 PolarHBondContact O-N 2.83Å; T486-K488 VanDerWaalsContact C-N 3.35Å
489	M	97.6	Very high	98.3	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.039	17%	0.173	C	C	.	.	S	Bend	trans	-133.4	142.5	-170.6	-173.9	-173.6	-71.6	0	0	109	L435 A436 A483 V484 Q493 F494 V497	L435-M489 HydrophobicContact CB-CE 4.33Å; L435-M489 HydrophobicContact CD2-CE 3.92Å; L435-M489 HydrophobicContact CG-CE 3.75Å; A436-M489 HydrophobicContact CB-CB 4.06Å; A436-M489 HydrophobicContact CB-CE 4.16Å; A483-M489 HydrophobicContact CB-CB 3.76Å; A483-M489 HydrophobicContact CB-CE 3.85Å; A483-M489 HydrophobicContact CB-CG 4.45Å; A483-M489 HydrophobicContact CB-SD 3.92Å; A483-M489 PolarHBondContact O-N 3.16Å; V484-M489 WeakPolarHBondContact CA-O 3.39Å; V484-M489 HydrophobicContact CG2-CB 4.45Å; M489-Q493 HydrophobicContact CG-CB 3.35Å; M489-Q493 HydrophobicContact CG-CG 4.38Å; M489-Q493 HydrophobicContact SD-CB 4.07Å; M489-F494 HydrophobicContact SD-CB 4.19Å; M489-V497 HydrophobicContact CE-CG1 4.32Å; M489-V497 HydrophobicContact CE-CG2 3.97Å; M489-V497 HydrophobicContact SD-CG2 3.94Å
490	D	98.4	Very high	98.3	Very high	76 Å²	76	28.8 Å²	28.8	41%	0.406	17%	0.172	S	C	.	.			trans	-84.6	170.6	169.6	70.4	42.9	0	0	0	112.6	N492 Q493 F494	D490-N492 VanDerWaalsContact C-N 3.27Å; D490-N492 PolarHBondContact O-N 3.47Å; D490-N492 WeakPolarHBondContact OD1-CA 3.45Å; D490-N492 VanDerWaalsContact OD1-CB 3.31Å; D490-N492 WeakPolarHBondContact OD1-CB 3.32Å; D490-N492 PolarHBondContact OD1-N 3.27Å; D490-Q493 PolarHBondContact O-N 3.46Å; D490-Q493 WeakPolarHBondContact OD1-CG 3.26Å; D490-Q493 PolarHBondContact OD1-N 2.83Å; D490-F494 PolarHBondContact O-N 2.92Å
491	E	98.4	Very high	98.3	Very high	38 Å²	38	29.7 Å²	29.7	18%	0.178	18%	0.178	C	C	.	.	H	α-helix	trans	-63.4	-26.7	178.6	59.7	-176.2	-163.3	0	0	114.6	R137 I139 S144 M178 W480 F494 V495	R137-E491 IonicContact CZ-OE1 3.35Å; R137-E491 IonicContact CZ-OE2 3.56Å; R137-E491 IonicContact NH1-OE1 2.91Å; R137-E491 PolarHBondContact NH1-OE1 2.87Å; R137-E491 IonicContact NH1-OE2 3.15Å; R137-E491 PolarHBondContact NH1-OE2 2.91Å; R137-E491 IonicContact NH2-OE1 3.68Å; R137-E491 IonicContact NH2-OE2 2.91Å; R137-E491 PolarHBondContact NH2-OE2 3.47Å; I139-E491 HydrophobicContact CG2-CB 4.01Å; I139-E491 HydrophobicContact CG2-CG 3.83Å; S144-E491 VanDerWaalsContact CB-OE1 3.3Å; S144-E491 WeakPolarHBondContact CB-OE1 3.47Å; S144-E491 PolarHBondContact OG-OE1 3.05Å; M178-E491 HydrophobicContact CE-CB 3.67Å; W480-E491 HydrophobicContact CH2-CB 4.31Å; W480-E491 HydrophobicContact CZ3-CB 4.38Å; E491-F494 WeakPolarHBondContact O-CB 3.5Å; E491-V495 WeakPolarHBondContact O-CG2 3.48Å; E491-V495 PolarHBondContact O-N 3.46Å; E491-V495 VanDerWaalsContact O-N 3.16Å
492	N	98.8	Very high	98.4	Very high	28 Å²	28	29 Å²	29	15%	0.15	18%	0.175	C	C	.	.	H	α-helix	trans	-78.1	-43.9	-179.5	-56.6	103.2	0	0	0	109.3	N140 D141 Q143 S144 D490 F494 V495 A496	N140-N492 WeakPolarHBondContact O-CA 3.28Å; N140-N492 WeakPolarHBondContact O-CB 3.36Å; N140-N492 PolarHBondContact O-ND2 2.93Å; D141-N492 WeakPolarHBondContact CA-O 3.18Å; Q143-N492 PolarHBondContact O-ND2 3.41Å; S144-N492 PolarHBondContact OG-ND2 2.66Å; S144-N492 PolarHBondContact OG-OD1 2.73Å; D490-N492 VanDerWaalsContact C-N 3.27Å; D490-N492 PolarHBondContact O-N 3.47Å; D490-N492 WeakPolarHBondContact OD1-CA 3.45Å; D490-N492 VanDerWaalsContact OD1-CB 3.31Å; D490-N492 WeakPolarHBondContact OD1-CB 3.32Å; D490-N492 PolarHBondContact OD1-N 3.27Å; N492-F494 VanDerWaalsContact C-N 3.3Å; N492-F494 PolarHBondContact O-N 2.92Å; N492-V495 PolarHBondContact O-N 3.14Å; N492-A496 PolarHBondContact O-N 2.76Å
493	Q	98.6	Very high	98.4	Very high	68 Å²	68	26.5 Å²	26.5	32%	0.318	16%	0.164	S	C	.	.	H	α-helix	trans	-60.1	-38.3	169.2	-66.6	179.3	-47.1	0	0	112	A436 M489 D490 A496 V497	A436-Q493 PolarHBondContact O-NE2 3.28Å; M489-Q493 HydrophobicContact CG-CB 3.35Å; M489-Q493 HydrophobicContact CG-CG 4.38Å; M489-Q493 HydrophobicContact SD-CB 4.07Å; D490-Q493 PolarHBondContact O-N 3.46Å; D490-Q493 WeakPolarHBondContact OD1-CG 3.26Å; D490-Q493 PolarHBondContact OD1-N 2.83Å; Q493-A496 WeakPolarHBondContact O-CB 3.49Å; Q493-A496 PolarHBondContact O-N 2.93Å; Q493-A496 VanDerWaalsContact O-N 3.15Å; Q493-V497 PolarHBondContact O-N 2.77Å
494	F	98.9	Very high	98.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58	-48.9	172.6	171.5	-98.9	0	0	0	111.7	I180 M476 V479 W480 V484 M489 D490 E491 N492 A496 V497 T498 W526	I180-F494 HydrophobicContact CD1-CE1 3.9Å; M476-F494 HydrophobicContact CB-CZ 4.29Å; M476-F494 HydrophobicContact CE-CE1 3.85Å; M476-F494 HydrophobicContact CE-CZ 3.74Å; M476-F494 WeakPolarHBondContact O-CE2 3.39Å; V479-F494 HydrophobicContact CB-CE2 4.2Å; V479-F494 HydrophobicContact CG1-CD2 3.93Å; V479-F494 HydrophobicContact CG1-CE2 4.04Å; W480-F494 HydrophobicContact CB-CD2 4.42Å; W480-F494 HydrophobicContact CB-CE2 3.81Å; W480-F494 HydrophobicContact CB-CZ 4.22Å; W480-F494 AromaticContact CE3-CD1 3.72Å; W480-F494 HydrophobicContact CE3-CD1 3.72Å; W480-F494 AromaticContact CE3-CD2 3.92Å; W480-F494 HydrophobicContact CE3-CD2 3.92Å; W480-F494 AromaticContact CE3-CE1 3.77Å; W480-F494 HydrophobicContact CE3-CE1 3.77Å; W480-F494 AromaticContact CE3-CE2 3.98Å; W480-F494 HydrophobicContact CE3-CE2 3.98Å; W480-F494 AromaticContact CE3-CG 3.79Å; W480-F494 HydrophobicContact CE3-CG 3.79Å; W480-F494 AromaticContact CE3-CZ 3.9Å; W480-F494 HydrophobicContact CE3-CZ 3.9Å; W480-F494 HydrophobicContact CZ3-CB 4.49Å; W480-F494 AromaticContact CZ3-CD1 3.87Å; W480-F494 HydrophobicContact CZ3-CD1 3.87Å; W480-F494 HydrophobicContact CZ3-CE1 4.24Å; W480-F494 HydrophobicContact CZ3-CG 4.1Å; V484-F494 HydrophobicContact CG2-CB 3.71Å; V484-F494 HydrophobicContact CG2-CD2 4.03Å; V484-F494 HydrophobicContact CG2-CG 4.1Å; M489-F494 HydrophobicContact SD-CB 4.19Å; D490-F494 PolarHBondContact O-N 2.92Å; E491-F494 WeakPolarHBondContact O-CB 3.5Å; N492-F494 VanDerWaalsContact C-N 3.3Å; N492-F494 PolarHBondContact O-N 2.92Å; F494-A496 VanDerWaalsContact C-N 3.27Å; F494-A496 PolarHBondContact O-N 2.76Å; F494-V497 PolarHBondContact O-N 2.64Å; F494-T498 HydrophobicContact CD2-CG2 3.98Å; F494-T498 HydrophobicContact CE2-CG2 3.69Å; F494-T498 HydrophobicContact CZ-CG2 4.07Å; F494-T498 WeakPolarHBondContact O-CB 3.43Å; F494-T498 WeakPolarHBondContact O-CG2 3.26Å; F494-T498 PolarHBondContact O-N 2.86Å; F494-T498 PolarHBondContact O-OG1 3.39Å; F494-W526 HydrophobicContact CZ-CZ2 4.37Å
495	V	98.9	Very high	98.4	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-59.1	-40.3	174.5	170.1	0	0	0	0	111.1	I139 I180 P181 E491 N492 S499 T500	I139-V495 HydrophobicContact CB-CG2 4.21Å; I139-V495 HydrophobicContact CG2-CG2 3.94Å; I180-V495 HydrophobicContact CB-CG2 4.1Å; I180-V495 HydrophobicContact CG2-CG2 4.14Å; P181-V495 HydrophobicContact CG-CG1 3.76Å; E491-V495 WeakPolarHBondContact O-CG2 3.48Å; E491-V495 PolarHBondContact O-N 3.46Å; E491-V495 VanDerWaalsContact O-N 3.16Å; N492-V495 PolarHBondContact O-N 3.14Å; V495-S499 PolarHBondContact O-N 3.38Å; V495-S499 PolarHBondContact O-OG 3.21Å; V495-T500 PolarHBondContact O-N 3.4Å; V495-T500 VanDerWaalsContact O-N 3.09Å; V495-T500 PolarHBondContact O-OG1 3.14Å
496	A	98.8	Very high	98.5	Very high	13 Å²	13	25 Å²	25	11%	0.107	15%	0.146	C	C	.	.	I	π-helix	trans	-60.4	-50.2	177.8	0	0	0	0	0	112.7	D141 N492 Q493 F494 T500 N501	D141-A496 HydrophobicContact CB-CB 3.88Å; N492-A496 PolarHBondContact O-N 2.76Å; Q493-A496 WeakPolarHBondContact O-CB 3.49Å; Q493-A496 PolarHBondContact O-N 2.93Å; Q493-A496 VanDerWaalsContact O-N 3.15Å; F494-A496 VanDerWaalsContact C-N 3.27Å; F494-A496 PolarHBondContact O-N 2.76Å; A496-T500 PolarHBondContact O-N 3.5Å; A496-N501 VanDerWaalsContact O-CB 3.25Å; A496-N501 WeakPolarHBondContact O-CB 3.48Å; A496-N501 VanDerWaalsContact O-CG 3.25Å; A496-N501 PolarHBondContact O-N 2.75Å; A496-N501 PolarHBondContact O-ND2 2.93Å
497	V	98.8	Very high	98.6	Very high	6 Å²	6	24 Å²	24	4%	0.036	14%	0.137	C	C	.	.	I	π-helix	trans	-80.4	-22.5	-174.8	-57.7	0	0	0	0	114.2	L435 T443 V479 M489 Q493 F494	L435-V497 HydrophobicContact CD1-CB 3.98Å; L435-V497 HydrophobicContact CD1-CG1 3.77Å; L435-V497 HydrophobicContact CD2-CG2 4.19Å; L435-V497 HydrophobicContact CG-CB 4.32Å; L435-V497 HydrophobicContact CG-CG1 4.05Å; L435-V497 HydrophobicContact CG-CG2 4.39Å; T443-V497 HydrophobicContact CG2-CG2 4.44Å; T443-V497 PolarHBondContact N-O 3.15Å; T443-V497 PolarHBondContact OG1-O 3.21Å; V479-V497 HydrophobicContact CG1-CG2 4.23Å; M489-V497 HydrophobicContact CE-CG1 4.32Å; M489-V497 HydrophobicContact CE-CG2 3.97Å; M489-V497 HydrophobicContact SD-CG2 3.94Å; Q493-V497 PolarHBondContact O-N 2.77Å; F494-V497 PolarHBondContact O-N 2.64Å
498	T	98.9	Very high	98.6	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	11%	0.107	C	C	.	.	I	π-helix	trans	-96	-16	179.7	58.9	0	0	0	0	114.4	I184 R475 V479 F494	I184-T498 PolarHBondContact N-O 2.87Å; R475-T498 PolarHBondContact NH1-O 2.89Å; R475-T498 VanDerWaalsContact NH1-O 3.14Å; R475-T498 PolarHBondContact NH2-O 3.25Å; V479-T498 HydrophobicContact CB-CG2 4.35Å; V479-T498 HydrophobicContact CG1-CG2 3.99Å; F494-T498 HydrophobicContact CD2-CG2 3.98Å; F494-T498 HydrophobicContact CE2-CG2 3.69Å; F494-T498 HydrophobicContact CZ-CG2 4.07Å; F494-T498 WeakPolarHBondContact O-CB 3.43Å; F494-T498 WeakPolarHBondContact O-CG2 3.26Å; F494-T498 PolarHBondContact O-N 2.86Å; F494-T498 PolarHBondContact O-OG1 3.39Å
499	S	98.8	Very high	98.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-146.4	-54.3	179.3	73.8	0	0	0	0	114.9	V495 N501 A502 A503	V495-S499 PolarHBondContact O-N 3.38Å; V495-S499 PolarHBondContact O-OG 3.21Å; S499-N501 PolarHBondContact O-N 3.26Å; S499-A502 WeakPolarHBondContact O-CB 3.32Å; S499-A502 PolarHBondContact O-N 2.97Å; S499-A503 PolarHBondContact O-N 3.02Å
500	T	98.9	Very high	98.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	I	π-helix	trans	-71.9	-38.7	-163.6	-43	0	0	0	0	113.6	D141 V495 A496 A503 K504 Y509 G513	D141-T500 HydrophobicContact CB-CG2 4.14Å; V495-T500 PolarHBondContact O-N 3.4Å; V495-T500 VanDerWaalsContact O-N 3.09Å; V495-T500 PolarHBondContact O-OG1 3.14Å; A496-T500 PolarHBondContact O-N 3.5Å; T500-A503 PolarHBondContact O-N 3.34Å; T500-K504 HydrophobicContact CG2-CD 4.14Å; T500-K504 WeakPolarHBondContact O-CG 3.41Å; T500-K504 PolarHBondContact O-N 3.25Å; T500-Y509 HydrophobicContact CG2-CD2 3.57Å; T500-Y509 HydrophobicContact CG2-CE2 3.41Å; T500-Y509 VanDerWaalsContact CG2-CE2 3.41Å; T500-G513 WeakPolarHBondContact CB-O 3.32Å; T500-G513 WeakPolarHBondContact CG2-O 3.41Å; T500-G513 PolarHBondContact OG1-O 2.99Å
501	N	98.8	Very high	98.7	Very high	33 Å²	33	25.8 Å²	25.8	18%	0.176	13%	0.126	C	C	.	.	H	α-helix	trans	-67.8	-41.2	178.9	-69.4	-20.3	0	0	0	111	Q441 V442 A496 S499 A503 K504 I505	Q441-N501 WeakPolarHBondContact O-CB 3.37Å; Q441-N501 PolarHBondContact O-ND2 3.02Å; V442-N501 HydrophobicContact CG2-CB 3.99Å; A496-N501 VanDerWaalsContact O-CB 3.25Å; A496-N501 WeakPolarHBondContact O-CB 3.48Å; A496-N501 VanDerWaalsContact O-CG 3.25Å; A496-N501 PolarHBondContact O-N 2.75Å; A496-N501 PolarHBondContact O-ND2 2.93Å; S499-N501 PolarHBondContact O-N 3.26Å; N501-A503 VanDerWaalsContact C-N 3.32Å; N501-A503 PolarHBondContact O-N 3.03Å; N501-K504 PolarHBondContact O-N 2.96Å; N501-I505 WeakPolarHBondContact O-CB 3.37Å; N501-I505 WeakPolarHBondContact O-CD1 3.44Å; N501-I505 VanDerWaalsContact O-CG1 3.26Å; N501-I505 WeakPolarHBondContact O-CG1 3.42Å; N501-I505 PolarHBondContact O-N 2.92Å
502	A	98.8	Very high	98.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-55.5	-48	169.8	0	0	0	0	0	111.2	I184 V186 V442 S499 K504 I505 F506	I184-A502 HydrophobicContact CB-CB 4.09Å; I184-A502 HydrophobicContact CG2-CB 4.03Å; V186-A502 HydrophobicContact CG1-CB 3.42Å; V186-A502 VanDerWaalsContact CG1-CB 3.42Å; V442-A502 HydrophobicContact CG1-CB 3.98Å; S499-A502 WeakPolarHBondContact O-CB 3.32Å; S499-A502 PolarHBondContact O-N 2.97Å; A502-K504 VanDerWaalsContact C-N 3.34Å; A502-K504 PolarHBondContact O-N 2.87Å; A502-I505 PolarHBondContact O-N 2.91Å; A502-F506 WeakPolarHBondContact O-CB 3.32Å; A502-F506 WeakPolarHBondContact O-CD2 3.35Å; A502-F506 PolarHBondContact O-N 2.82Å
503	A	98.8	Very high	98.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-37.3	178.2	0	0	0	0	0	113.1	I184 S499 T500 N501 N507 L508 Y509 K512	I184-A503 HydrophobicContact CD1-CB 3.85Å; S499-A503 PolarHBondContact O-N 3.02Å; T500-A503 PolarHBondContact O-N 3.34Å; N501-A503 VanDerWaalsContact C-N 3.32Å; N501-A503 PolarHBondContact O-N 3.03Å; A503-N507 PolarHBondContact O-N 3.03Å; A503-L508 HydrophobicContact CB-CB 4.12Å; A503-L508 PolarHBondContact O-N 3.46Å; A503-Y509 PolarHBondContact O-N 2.77Å; A503-K512 VanDerWaalsContact CB-O 3.32Å; A503-K512 WeakPolarHBondContact CB-O 3.24Å
504	K	98.7	Very high	98.7	Very high	44 Å²	44	21.9 Å²	21.9	19%	0.191	11%	0.106	C	C	.	.	H	α-helix	trans	-71.1	-42.6	177	-72.9	166.3	-179.5	161.3	0	112.3	D141 T500 N501 A502 Y509 H591	D141-K504 IonicContact OD2-NZ 3.72Å; D141-K504 PolarHBondContact OD2-NZ 3.22Å; T500-K504 HydrophobicContact CG2-CD 4.14Å; T500-K504 WeakPolarHBondContact O-CG 3.41Å; T500-K504 PolarHBondContact O-N 3.25Å; N501-K504 PolarHBondContact O-N 2.96Å; A502-K504 VanDerWaalsContact C-N 3.34Å; A502-K504 PolarHBondContact O-N 2.87Å; K504-Y509 HydrophobicContact CG-CD1 4.08Å; K504-Y509 HydrophobicContact CG-CD2 4.09Å; K504-Y509 HydrophobicContact CG-CG 3.74Å; K504-H591 HydrophobicContact CB-CB 4.26Å
505	I	98.6	Very high	98.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-68.8	-44.9	-178.9	-70.8	163.1	0	0	0	110.9	V308 Y365 F389 V442 N501 A502 P589 L592	V308-I505 HydrophobicContact CG1-CG2 4.13Å; Y365-I505 HydrophobicContact CD2-CG2 4.1Å; Y365-I505 HydrophobicContact CE2-CD1 4.25Å; Y365-I505 HydrophobicContact CE2-CG2 4.21Å; F389-I505 HydrophobicContact CD1-CD1 3.56Å; F389-I505 HydrophobicContact CD1-CG1 4.15Å; F389-I505 HydrophobicContact CE1-CD1 3.94Å; F389-I505 HydrophobicContact CE1-CG1 4.08Å; F389-I505 HydrophobicContact CG-CD1 4.2Å; V442-I505 HydrophobicContact CG2-CD1 3.52Å; N501-I505 WeakPolarHBondContact O-CB 3.37Å; N501-I505 WeakPolarHBondContact O-CD1 3.44Å; N501-I505 VanDerWaalsContact O-CG1 3.26Å; N501-I505 WeakPolarHBondContact O-CG1 3.42Å; N501-I505 PolarHBondContact O-N 2.92Å; A502-I505 PolarHBondContact O-N 2.91Å; I505-P589 WeakPolarHBondContact O-CB 3.25Å; I505-P589 VanDerWaalsContact O-CG 3.3Å; I505-P589 WeakPolarHBondContact O-CG 3.4Å; I505-L592 HydrophobicContact CG1-CD2 4.36Å; I505-L592 HydrophobicContact CG2-CD1 4.37Å
506	F	98.7	Very high	98.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	11.5	-176.5	-61.1	-59.7	0	0	0	114.5	V186 I219 H252 N276 V308 L310 Y365 A502 L508 R585	V186-F506 HydrophobicContact CB-CE2 3.97Å; V186-F506 HydrophobicContact CG1-CD2 3.95Å; V186-F506 HydrophobicContact CG1-CE2 3.69Å; I219-F506 HydrophobicContact CD1-CB 4.1Å; I219-F506 HydrophobicContact CD1-CD2 3.7Å; I219-F506 HydrophobicContact CD1-CE2 4.36Å; I219-F506 HydrophobicContact CD1-CG 3.93Å; H252-F506 AromaticContact CE1-CD1 3.99Å; H252-F506 AromaticContact CE1-CE1 3.52Å; H252-F506 AromaticContact CE1-CZ 3.66Å; N276-F506 PolarHBondContact ND2-O 2.82Å; V308-F506 HydrophobicContact CB-CD1 4.42Å; V308-F506 HydrophobicContact CB-CE1 4.1Å; V308-F506 HydrophobicContact CG1-CE1 3.92Å; V308-F506 HydrophobicContact CG2-CD1 4.06Å; V308-F506 HydrophobicContact CG2-CE1 4.21Å; L310-F506 HydrophobicContact CD1-CE1 4.22Å; Y365-F506 HydrophobicContact CD2-CZ 4.33Å; Y365-F506 HydrophobicContact CE2-CE2 4.28Å; Y365-F506 AromaticContact CE2-CZ 3.96Å; Y365-F506 HydrophobicContact CE2-CZ 3.96Å; A502-F506 WeakPolarHBondContact O-CB 3.32Å; A502-F506 WeakPolarHBondContact O-CD2 3.35Å; A502-F506 PolarHBondContact O-N 2.82Å; F506-L508 HydrophobicContact CB-CD1 4.46Å; F506-R585 WeakPolarHBondContact O-CD 3.44Å; F506-R585 WeakPolarHBondContact O-CG 3.42Å
507	N	98.6	Very high	98.7	Very high	58 Å²	58	27.1 Å²	27.1	31%	0.31	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	44.9	172.3	-149.8	11.6	0	0	0	115.1	A503 K586 P589	A503-N507 PolarHBondContact O-N 3.03Å; N507-K586 PolarHBondContact ND2-O 3.3Å; N507-P589 HydrophobicContact CB-CB 3.99Å; N507-P589 HydrophobicContact CB-CG 4.06Å
508	L	98.6	Very high	98.6	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.052	16%	0.163	C	C	.	.			trans	-114.5	-9.1	177.1	-60	165.3	0	0	0	112.9	M217 A503 F506 R511 K512 I583 R585	M217-L508 HydrophobicContact CE-CD1 3.76Å; M217-L508 HydrophobicContact CE-CD2 4.33Å; M217-L508 HydrophobicContact SD-CD1 3.71Å; A503-L508 HydrophobicContact CB-CB 4.12Å; A503-L508 PolarHBondContact O-N 3.46Å; F506-L508 HydrophobicContact CB-CD1 4.46Å; L508-R511 WeakPolarHBondContact O-CA 3.28Å; L508-R511 VanDerWaalsContact O-CB 3.32Å; L508-R511 WeakPolarHBondContact O-CB 3.49Å; L508-R511 PolarHBondContact O-N 3.35Å; L508-K512 PolarHBondContact O-N 3.37Å; L508-I583 HydrophobicContact CD2-CB 4.39Å; L508-I583 HydrophobicContact CD2-CG2 3.42Å; L508-I583 VanDerWaalsContact CD2-CG2 3.42Å; L508-R585 HydrophobicContact CD2-CG 3.75Å; L508-R585 HydrophobicContact CG-CG 4.19Å
509	Y	98.7	Very high	98.6	Very high	79 Å²	79	29.4 Å²	29.4	31%	0.31	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	141.1	-177.7	-179	-92.2	0	0	0	112.2	T500 A503 K504 R514	T500-Y509 HydrophobicContact CG2-CD2 3.57Å; T500-Y509 HydrophobicContact CG2-CE2 3.41Å; T500-Y509 VanDerWaalsContact CG2-CE2 3.41Å; A503-Y509 PolarHBondContact O-N 2.77Å; K504-Y509 HydrophobicContact CG-CD1 4.08Å; K504-Y509 HydrophobicContact CG-CD2 4.09Å; K504-Y509 HydrophobicContact CG-CG 3.74Å; Y509-R514 HydrophobicContact CE2-CB 4.04Å; Y509-R514 HydrophobicContact CE2-CG 4.46Å; Y509-R514 VanDerWaalsContact OH-CD 3.29Å; Y509-R514 WeakPolarHBondContact OH-CD 3.33Å
510	P	98.3	Very high	98.6	Very high	68 Å²	68	29.9 Å²	29.9	44%	0.442	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.8	10.1	-1.6	37.8	-36.5	0	0	0	113.8	K512 S519	P510-K512 PolarHBondContact O-N 3.39Å; P510-S519 WeakPolarHBondContact O-CB 3.48Å; P510-S519 PolarHBondContact O-OG 2.9Å
511	R	98.5	Very high	98.6	Very high	94 Å²	94	29.9 Å²	29.9	36%	0.355	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-38.5	179.1	178.5	-177.7	173.4	-163.1	-11.4	111.5	L508 D520	L508-R511 WeakPolarHBondContact O-CA 3.28Å; L508-R511 VanDerWaalsContact O-CB 3.32Å; L508-R511 WeakPolarHBondContact O-CB 3.49Å; L508-R511 PolarHBondContact O-N 3.35Å; R511-D520 WeakPolarHBondContact CG-OD1 3.42Å; R511-D520 IonicContact CZ-OD1 3Å; R511-D520 IonicContact CZ-OD2 3.83Å; R511-D520 VanDerWaalsContact NE-CG 3.28Å; R511-D520 IonicContact NE-OD1 3.19Å; R511-D520 PolarHBondContact NE-OD1 3.1Å; R511-D520 IonicContact NE-OD2 2.98Å; R511-D520 PolarHBondContact NE-OD2 3.43Å; R511-D520 IonicContact NH2-OD1 2.83Å; R511-D520 IonicContact NH2-OD2 2.65Å; R511-D520 PolarHBondContact NH2-OD2 3.23Å; R511-D520 WeakPolarHBondContact O-CB 3.1Å; R511-D520 PolarHBondContact O-N 2.97Å
512	K	98.8	Very high	98.6	Very high	7 Å²	7	28.8 Å²	28.8	3%	0.03	16%	0.16	C	C	.	.	S	Bend	trans	-126.2	164.4	168.7	-60.8	-170.8	-173.9	-57.3	0	111.2	I184 M217 D248 A503 L508 P510 R514 D520 D522	I184-K512 HydrophobicContact CD1-CB 3.93Å; M217-K512 HydrophobicContact CB-CD 4.25Å; M217-K512 HydrophobicContact CG-CD 4.4Å; M217-K512 HydrophobicContact SD-CD 3.4Å; M217-K512 WeakPolarHBondContact SD-CD 3.4Å; M217-K512 VanDerWaalsContact SD-CE 3.56Å; D248-K512 IonicContact OD2-NZ 2.72Å; D248-K512 PolarHBondContact OD2-NZ 3.09Å; A503-K512 VanDerWaalsContact CB-O 3.32Å; A503-K512 WeakPolarHBondContact CB-O 3.24Å; L508-K512 PolarHBondContact O-N 3.37Å; P510-K512 PolarHBondContact O-N 3.39Å; K512-R514 VanDerWaalsContact C-N 3.34Å; K512-D520 HydrophobicContact CG-CB 4.44Å; K512-D520 IonicContact NZ-OD2 2.77Å; K512-D520 PolarHBondContact NZ-OD2 3.17Å; K512-D522 IonicContact NZ-OD2 2.65Å; K512-D522 PolarHBondContact NZ-OD2 2.54Å
513	G	98.4	Very high	98.6	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.031	16%	0.16	C	C	.	.	S	Bend	trans	73.4	21.3	179.6	0	0	0	0	0	114.5	T500	T500-G513 WeakPolarHBondContact CB-O 3.32Å; T500-G513 WeakPolarHBondContact CG2-O 3.41Å; T500-G513 PolarHBondContact OG1-O 2.99Å
514	R	98.8	Very high	98.6	Very high	42 Å²	42	28.8 Å²	28.8	16%	0.158	16%	0.16	C	C	.	.	S	Bend	trans	-155.6	138.8	172.9	-162.8	168.9	178.3	83.8	3.1	111.5	N140 D141 D142 Y509 K512 A516 S519	N140-R514 VanDerWaalsContact OD1-CG 3.3Å; N140-R514 WeakPolarHBondContact OD1-CG 3.34Å; D141-R514 IonicContact OD1-NH1 3.91Å; D141-R514 PolarHBondContact OD1-NH1 2.9Å; D142-R514 VanDerWaalsContact CG-NH1 3.3Å; D142-R514 IonicContact OD1-CZ 3.16Å; D142-R514 VanDerWaalsContact OD1-CZ 3.3Å; D142-R514 IonicContact OD1-NH1 3.12Å; D142-R514 PolarHBondContact OD1-NH1 3.32Å; D142-R514 IonicContact OD1-NH2 2.95Å; D142-R514 PolarHBondContact OD1-NH2 3.26Å; D142-R514 IonicContact OD2-CZ 2.72Å; D142-R514 IonicContact OD2-NH1 3.51Å; D142-R514 IonicContact OD2-NH2 3.69Å; D142-R514 PolarHBondContact OD2-NH2 2.97Å; Y509-R514 HydrophobicContact CE2-CB 4.04Å; Y509-R514 HydrophobicContact CE2-CG 4.46Å; Y509-R514 VanDerWaalsContact OH-CD 3.29Å; Y509-R514 WeakPolarHBondContact OH-CD 3.33Å; K512-R514 VanDerWaalsContact C-N 3.34Å; R514-A516 HydrophobicContact CG-CB 4.13Å; R514-A516 PolarHBondContact O-N 2.77Å; R514-S519 WeakPolarHBondContact O-CB 3.38Å; R514-S519 PolarHBondContact O-OG 3.33Å
515	I	98.8	Very high	98.6	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	15%	0.151	C	C	.	.			trans	-86.2	95	166.4	-55.6	-55.2	0	0	0	107.5	I138 N140 V149 I156 I159 P181 V523	I138-I515 HydrophobicContact CD1-CG2 4.06Å; I138-I515 HydrophobicContact CG1-CG2 4.33Å; I138-I515 HydrophobicContact CG2-CB 3.64Å; I138-I515 HydrophobicContact CG2-CG1 4.2Å; I138-I515 HydrophobicContact CG2-CG2 3.57Å; N140-I515 PolarHBondContact ND2-O 2.67Å; N140-I515 PolarHBondContact OD1-N 3.13Å; V149-I515 HydrophobicContact CG2-CG2 4.25Å; I156-I515 HydrophobicContact CD1-CB 4.45Å; I156-I515 HydrophobicContact CD1-CD1 4.11Å; I156-I515 HydrophobicContact CD1-CG2 4.1Å; I159-I515 HydrophobicContact CD1-CG2 3.96Å; P181-I515 HydrophobicContact CB-CD1 4.47Å; P181-I515 HydrophobicContact CG-CD1 4.31Å; P181-I515 HydrophobicContact CG-CG1 4.06Å; I515-V523 HydrophobicContact CD1-CB 4.3Å; I515-V523 HydrophobicContact CD1-CG1 3.94Å; I515-V523 HydrophobicContact CD1-CG2 3.75Å
516	A	98.4	Very high	98.6	Very high	25 Å²	25	26.8 Å²	26.8	21%	0.207	15%	0.151	C	C	.	.			trans	-147.1	154.1	179	0	0	0	0	0	110.8	I156 R514 G518 S519	I156-A516 WeakPolarHBondContact CB-O 3.44Å; R514-A516 HydrophobicContact CG-CB 4.13Å; R514-A516 PolarHBondContact O-N 2.77Å; A516-G518 PolarHBondContact O-N 2.84Å; A516-S519 WeakPolarHBondContact O-CB 3.49Å; A516-S519 PolarHBondContact O-N 2.7Å; A516-S519 VanDerWaalsContact O-N 3.11Å; A516-S519 PolarHBondContact O-OG 2.88Å
517	V	98.5	Very high	98.5	Very high	95 Å²	95	27.4 Å²	27.4	58%	0.576	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	128.4	175.5	174	0	0	0	0	110.2	I156 K157 I159	I156-V517 WeakPolarHBondContact O-CA 3.29Å; K157-V517 WeakPolarHBondContact O-CG1 3.25Å; I159-V517 HydrophobicContact CG1-CG2 4.31Å
518	G	98.2	Very high	98.4	Very high	53 Å²	53	25.9 Å²	25.9	55%	0.546	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	-6.2	-176.5	0	0	0	0	0	115.3	I156 A516	I156-G518 PolarHBondContact O-N 3.37Å; A516-G518 PolarHBondContact O-N 2.84Å
519	S	98.8	Very high	98.2	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.014	17%	0.173	C	C	.	.	S	Bend	trans	-74.5	156.9	169.4	-60.4	0	0	0	0	111.4	L155 I156 P510 R514 A516	L155-S519 WeakPolarHBondContact CA-O 3.42Å; I156-S519 PolarHBondContact N-O 2.8Å; P510-S519 WeakPolarHBondContact O-CB 3.48Å; P510-S519 PolarHBondContact O-OG 2.9Å; R514-S519 WeakPolarHBondContact O-CB 3.38Å; R514-S519 PolarHBondContact O-OG 3.33Å; A516-S519 WeakPolarHBondContact O-CB 3.49Å; A516-S519 PolarHBondContact O-N 2.7Å; A516-S519 VanDerWaalsContact O-N 3.11Å; A516-S519 PolarHBondContact O-OG 2.88Å
520	D	98.7	Very high	97.9	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.053	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-59.1	141.1	171.7	-72.5	-2.6	0	0	0	109.4	R511 K512 D522 R581	R511-D520 WeakPolarHBondContact CG-OD1 3.42Å; R511-D520 IonicContact CZ-OD1 3Å; R511-D520 IonicContact CZ-OD2 3.83Å; R511-D520 VanDerWaalsContact NE-CG 3.28Å; R511-D520 IonicContact NE-OD1 3.19Å; R511-D520 PolarHBondContact NE-OD1 3.1Å; R511-D520 IonicContact NE-OD2 2.98Å; R511-D520 PolarHBondContact NE-OD2 3.43Å; R511-D520 IonicContact NH2-OD1 2.83Å; R511-D520 IonicContact NH2-OD2 2.65Å; R511-D520 PolarHBondContact NH2-OD2 3.23Å; R511-D520 WeakPolarHBondContact O-CB 3.1Å; R511-D520 PolarHBondContact O-N 2.97Å; K512-D520 HydrophobicContact CG-CB 4.44Å; K512-D520 IonicContact NZ-OD2 2.77Å; K512-D520 PolarHBondContact NZ-OD2 3.17Å; D520-D522 PolarHBondContact O-N 3.28Å; D520-R581 IonicContact OD2-NH2 3.98Å
521	A	98.4	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.			trans	-78.5	58.1	178.5	0	0	0	0	0	112.1	L151 G154 Q563 G564	L151-A521 HydrophobicContact CB-CB 4.24Å; L151-A521 HydrophobicContact CD1-CB 4.26Å; L151-A521 HydrophobicContact CD2-CB 3.93Å; L151-A521 HydrophobicContact CG-CB 4.38Å; G154-A521 VanDerWaalsContact C-CB 3.47Å; G154-A521 WeakPolarHBondContact O-CB 3.43Å; G154-A521 PolarHBondContact O-N 2.85Å; A521-Q563 PolarHBondContact O-N 3.36Å; A521-G564 PolarHBondContact O-N 3.49Å
522	D	98.7	Very high	97.6	Very high	9 Å²	9	30.2 Å²	30.2	5%	0.048	17%	0.173	C	C	.	.			trans	-103.9	94.2	173.9	-74.1	-10.1	0	0	0	108.6	G182 T216 K512 D520 I561 S562 Q563	G182-D522 PolarHBondContact N-O 3.42Å; T216-D522 HydrophobicContact CG2-CB 4.38Å; T216-D522 WeakPolarHBondContact OG1-CB 3.29Å; K512-D522 IonicContact NZ-OD2 2.65Å; K512-D522 PolarHBondContact NZ-OD2 2.54Å; D520-D522 PolarHBondContact O-N 3.28Å; D522-I561 CarbonylContact C-O 3.53Å; D522-I561 WeakPolarHBondContact CA-O 3.35Å; D522-S562 WeakPolarHBondContact OD1-CA 3.43Å; D522-Q563 PolarHBondContact OD1-N 3.33Å
523	V	98.8	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	138.4	-163.5	-173.4	0	0	0	0	110.5	I133 L151 I156 V179 I515 I561	I133-V523 HydrophobicContact CD1-CB 4.49Å; I133-V523 HydrophobicContact CD1-CG1 3.77Å; L151-V523 HydrophobicContact CD2-CG2 4.48Å; I156-V523 HydrophobicContact CD1-CG2 4.39Å; V179-V523 HydrophobicContact CG1-CG1 3.51Å; I515-V523 HydrophobicContact CD1-CB 4.3Å; I515-V523 HydrophobicContact CD1-CG1 3.94Å; I515-V523 HydrophobicContact CD1-CG2 3.75Å; V523-I561 HydrophobicContact CB-CB 4.35Å; V523-I561 PolarHBondContact N-O 3.33Å; V523-I561 WeakPolarHBondContact O-CB 3.48Å; V523-I561 PolarHBondContact O-N 3.2Å
524	V	98.8	Very high	97.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131	174.5	177	0	0	0	0	109.6	I180 G214 W526 P557 V559 V560	I180-V524 HydrophobicContact CD1-CB 4.36Å; I180-V524 HydrophobicContact CD1-CG1 4.46Å; I180-V524 HydrophobicContact CG1-CB 3.79Å; I180-V524 HydrophobicContact CG1-CG1 4.3Å; I180-V524 PolarHBondContact N-O 2.87Å; I180-V524 PolarHBondContact O-N 2.84Å; G214-V524 VanDerWaalsContact O-CG2 3.29Å; G214-V524 WeakPolarHBondContact O-CG2 3.18Å; V524-W526 HydrophobicContact CG1-CB 4.33Å; V524-W526 HydrophobicContact CG1-CE3 4.09Å; V524-P557 HydrophobicContact CG1-CB 3.84Å; V524-V559 WeakPolarHBondContact CA-O 3.33Å; V524-V560 HydrophobicContact CG1-CG2 4.38Å; V524-V560 HydrophobicContact CG2-CG1 4.09Å; V524-V560 HydrophobicContact CG2-CG2 4.15Å
525	I	98.6	Very high	97.4	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	111.2	163.5	-54.9	-177.8	0	0	0	106.7	I133 I172 A174 R177 M178 L558 V559	I133-I525 HydrophobicContact CG2-CD1 3.93Å; I133-I525 HydrophobicContact CG2-CG1 4.47Å; I172-I525 HydrophobicContact CB-CD1 4.38Å; I172-I525 HydrophobicContact CG2-CD1 3.5Å; I172-I525 VanDerWaalsContact CG2-CD1 3.5Å; A174-I525 HydrophobicContact CB-CD1 4.39Å; A174-I525 HydrophobicContact CB-CG2 4.39Å; R177-I525 HydrophobicContact CB-CG2 3.98Å; M178-I525 CarbonylContact O-C 3.44Å; M178-I525 WeakPolarHBondContact O-CA 3.35Å; I525-L558 PolarHBondContact O-N 3.16Å; I525-V559 HydrophobicContact CB-CB 4.08Å; I525-V559 HydrophobicContact CB-CG2 4.48Å; I525-V559 HydrophobicContact CD1-CB 4.08Å; I525-V559 HydrophobicContact CD1-CG2 4.23Å; I525-V559 HydrophobicContact CG1-CB 4.17Å; I525-V559 PolarHBondContact N-O 3.45Å; I525-V559 PolarHBondContact O-N 3.37Å
526	W	98.4	Very high	97.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.8	-171.7	-174.4	-92.8	0	0	0	111.5	M178 I180 M476 W480 F494 V524 G555 P557	M178-W526 HydrophobicContact CB-CB 4.12Å; M178-W526 PolarHBondContact N-O 2.85Å; M178-W526 PolarHBondContact O-N 3.4Å; I180-W526 HydrophobicContact CD1-CB 3.99Å; I180-W526 HydrophobicContact CD1-CD2 4.34Å; I180-W526 HydrophobicContact CD1-CE3 4.3Å; I180-W526 HydrophobicContact CD1-CG 4.24Å; I180-W526 HydrophobicContact CG1-CB 4.39Å; M476-W526 HydrophobicContact CB-CH2 3.81Å; M476-W526 HydrophobicContact CB-CZ3 3.91Å; M476-W526 HydrophobicContact CE-CZ3 4.49Å; W480-W526 HydrophobicContact CB-CZ2 3.71Å; W480-W526 HydrophobicContact CD2-CZ2 4.17Å; W480-W526 AromaticContact CD2-NE1 3.4Å; W480-W526 AromaticContact CE2-NE1 3.7Å; W480-W526 HydrophobicContact CE3-CZ2 4.48Å; W480-W526 AromaticContact CE3-NE1 3.55Å; W480-W526 AromaticContact CG-CZ2 3.82Å; W480-W526 HydrophobicContact CG-CZ2 3.82Å; W480-W526 AromaticContact CG-NE1 3.88Å; F494-W526 HydrophobicContact CZ-CZ2 4.37Å; V524-W526 HydrophobicContact CG1-CB 4.33Å; V524-W526 HydrophobicContact CG1-CE3 4.09Å; W526-G555 VanDerWaalsContact CZ2-CA 3.46Å; W526-G555 WeakPolarHBondContact CZ2-O 3.46Å; W526-P557 HydrophobicContact CE3-CB 4.3Å; W526-P557 HydrophobicContact CZ3-CB 4.43Å; W526-P557 HydrophobicContact CZ3-CG 4.41Å
527	D	96.8	Very high	97.3	Very high	13 Å²	13	42.1 Å²	42.1	7%	0.07	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	107.5	173.1	-169.3	-29.6	0	0	0	109.1	R177 D529 K530 G555 S556 L558	R177-D527 IonicContact CZ-OD1 2.66Å; R177-D527 IonicContact CZ-OD2 3.22Å; R177-D527 IonicContact NE-OD1 3Å; R177-D527 IonicContact NE-OD2 2.71Å; R177-D527 IonicContact NH1-OD1 3.99Å; R177-D527 PolarHBondContact NH1-OD1 3.15Å; R177-D527 VanDerWaalsContact NH1-OD1 3.15Å; R177-D527 IonicContact NH1-OD2 2.81Å; R177-D527 IonicContact NH2-OD1 2.73Å; R177-D527 PolarHBondContact NH2-OD1 2.82Å; R177-D527 VanDerWaalsContact NH2-OD1 3.12Å; R177-D527 IonicContact NH2-OD2 3.57Å; R177-D527 PolarHBondContact NH2-OD2 3.18Å; D527-D529 VanDerWaalsContact C-N 3.29Å; D527-D529 PolarHBondContact O-N 3.35Å; D527-D529 PolarHBondContact OD1-N 3.41Å; D527-D529 VanDerWaalsContact OD1-N 3.1Å; D527-K530 HydrophobicContact CB-CB 3.78Å; D527-K530 HydrophobicContact CB-CD 4.38Å; D527-K530 PolarHBondContact OD1-N 3.12Å; D527-K530 VanDerWaalsContact OD1-N 3.08Å; D527-G555 CarbonylContact O-C 3.54Å; D527-G555 VanDerWaalsContact O-CA 3.26Å; D527-G555 WeakPolarHBondContact O-CA 3.28Å; D527-S556 PolarHBondContact N-O 2.83Å; D527-S556 PolarHBondContact O-N 3.17Å; D527-L558 HydrophobicContact CB-CD1 3.88Å; D527-L558 HydrophobicContact CB-CD2 3.76Å; D527-L558 HydrophobicContact CB-CG 3.68Å
528	P	96.1	Very high	97	Very high	25 Å²	25	39.8 Å²	39.8	16%	0.162	22%	0.221	C	C	.	.	S	Bend	trans	-70.2	-25.7	-177.2	29.1	-34.9	0	0	0	113.2	M178 W480 G555	M178-P528 HydrophobicContact SD-CB 3.95Å; M178-P528 HydrophobicContact SD-CG 4.07Å; W480-P528 HydrophobicContact CH2-CB 4.09Å; W480-P528 HydrophobicContact CZ2-CB 3.33Å; W480-P528 PolarHBondContact NE1-O 2.78Å; P528-G555 PolarHBondContact O-N 3.46Å
529	D	93.8	Very high	97	Very high	112 Å²	112	38 Å²	38	60%	0.599	20%	0.198	S	C	*	.	S	Bend	trans	-97.8	-15.4	-170.2	-44.1	-62.2	0	0	0	112.6	R177 D527 L531	R177-D529 IonicContact CZ-OD2 3.9Å; R177-D529 IonicContact NH1-OD2 2.69Å; R177-D529 PolarHBondContact NH1-OD2 2.91Å; D527-D529 VanDerWaalsContact C-N 3.29Å; D527-D529 PolarHBondContact O-N 3.35Å; D527-D529 PolarHBondContact OD1-N 3.41Å; D527-D529 VanDerWaalsContact OD1-N 3.1Å; D529-L531 PolarHBondContact O-N 3.21Å; D529-L531 VanDerWaalsContact O-N 3.17Å
530	K	94.3	Very high	96.8	Very high	81 Å²	81	40.6 Å²	40.6	35%	0.352	21%	0.209	S	C	.	.			trans	-68	112.8	-178.2	177.9	171.2	170.7	-162.5	0	111.4	D527 G555 S556 L558	D527-K530 HydrophobicContact CB-CB 3.78Å; D527-K530 HydrophobicContact CB-CD 4.38Å; D527-K530 PolarHBondContact OD1-N 3.12Å; D527-K530 VanDerWaalsContact OD1-N 3.08Å; K530-G555 PolarHBondContact O-N 3.02Å; K530-S556 PolarHBondContact NZ-OG 3.18Å; K530-L558 HydrophobicContact CD-CD2 3.82Å
531	L	95.5	Very high	96.7	Very high	108 Å²	108	40.9 Å²	40.9	57%	0.565	21%	0.212	S	C	*	.			trans	-71	130.1	169.7	-67.9	169.8	0	0	0	111.1	D529 C553	D529-L531 PolarHBondContact O-N 3.21Å; D529-L531 VanDerWaalsContact O-N 3.17Å; L531-C553 WeakPolarHBondContact CA-O 3.48Å
532	K	93.8	Very high	96.5	Very high	42 Å²	42	43.6 Å²	43.6	18%	0.183	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.9	171.5	179.9	-174.8	177.5	-173.3	0	108.8	E473 C553	E473-K532 IonicContact OE1-NZ 2.67Å; E473-K532 PolarHBondContact OE1-NZ 3.11Å; K532-C553 PolarHBondContact N-O 3.2Å; K532-C553 PolarHBondContact O-N 3.37Å
533	T	97.4	Very high	96.4	Very high	66 Å²	66	43.3 Å²	43.3	41%	0.405	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.8	164.3	-40.3	0	0	0	0	109.1	T535 M551 E552	T533-T535 HydrophobicContact CG2-CG2 4.36Å; T533-M551 CarbonylContact C-O 3.56Å; T533-M551 WeakPolarHBondContact CA-O 3.32Å; T533-E552 HydrophobicContact CG2-CG 4.21Å
534	I	97.9	Very high	96.3	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	26%	0.258	C	S	.	.			trans	-77.2	125.3	177.3	-59.9	172.9	0	0	0	109.2	E474 V478 N546 F548 G550 M551	E474-I534 HydrophobicContact CB-CD1 4.29Å; E474-I534 HydrophobicContact CG-CD1 4.1Å; E474-I534 HydrophobicContact CG-CG2 3.88Å; V478-I534 HydrophobicContact CG2-CD1 4.03Å; I534-N546 WeakPolarHBondContact CG2-ND2 3.28Å; I534-F548 HydrophobicContact CB-CB 4.39Å; I534-F548 HydrophobicContact CD1-CB 3.95Å; I534-F548 HydrophobicContact CG2-CB 4.07Å; I534-G550 PolarHBondContact O-N 3.39Å; I534-M551 PolarHBondContact N-O 2.93Å
535	T	97.8	Very high	96.2	Very high	34 Å²	34	50.2 Å²	50.2	21%	0.209	26%	0.264	C	S	.	.			trans	-143.2	143.3	174.5	70.9	0	0	0	0	111.9	T533 K537 S538 H539 E549	T533-T535 HydrophobicContact CG2-CG2 4.36Å; T535-K537 PolarHBondContact O-N 2.72Å; T535-S538 PolarHBondContact O-N 2.93Å; T535-S538 PolarHBondContact O-OG 3.17Å; T535-S538 WeakPolarHBondContact OG1-CB 3.17Å; T535-S538 PolarHBondContact OG1-N 3.03Å; T535-S538 PolarHBondContact OG1-OG 3.13Å; T535-H539 PolarHBondContact O-N 3.17Å; T535-H539 VanDerWaalsContact O-N 3.13Å; T535-E549 WeakPolarHBondContact CA-OE2 3.49Å; T535-E549 WeakPolarHBondContact CB-OE1 3.34Å
536	A	97.5	Very high	96.2	Very high	20 Å²	20	50.4 Å²	50.4	17%	0.165	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-26.7	172.1	0	0	0	0	0	112.8	S538 H539 N546 E549	A536-S538 PolarHBondContact O-N 2.83Å; A536-H539 PolarHBondContact O-CD2 3.48Å; A536-H539 PolarHBondContact O-NE2 3.31Å; A536-N546 HydrophobicContact CB-CB 4.18Å; A536-E549 PolarHBondContact N-OE2 3.33Å
537	K	96.4	Very high	96.2	Very high	207 Å²	207	50.7 Å²	50.7	90%	0.9	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.8	174.8	-65.1	179.2	-177.6	172.8	0	113.4	T535	T535-K537 PolarHBondContact O-N 2.72Å
538	S	93.4	Very high	96.3	Very high	46 Å²	46	50.2 Å²	50.2	32%	0.322	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-24.3	-171.6	67.5	0	0	0	0	114.4	T535 A536 K540	T535-S538 PolarHBondContact O-N 2.93Å; T535-S538 PolarHBondContact O-OG 3.17Å; T535-S538 WeakPolarHBondContact OG1-CB 3.17Å; T535-S538 PolarHBondContact OG1-N 3.03Å; T535-S538 PolarHBondContact OG1-OG 3.13Å; A536-S538 PolarHBondContact O-N 2.83Å; S538-K540 PolarHBondContact O-NZ 3.17Å
539	H	96.3	Very high	96.4	Very high	16 Å²	16	53.7 Å²	53.7	7%	0.074	28%	0.278	C	S	.	.	S	Bend	trans	-66.2	171.7	-178.9	73	178.2	0	0	0	112.6	E473 E474 T535 A536 V543 Y545 N546	E473-H539 VanDerWaalsContact OE2-CA 3.24Å; E473-H539 WeakPolarHBondContact OE2-CA 3.19Å; E473-H539 WeakPolarHBondContact OE2-CB 3.28Å; E474-H539 IonicContact OE1-ND1 3.17Å; T535-H539 PolarHBondContact O-N 3.17Å; T535-H539 VanDerWaalsContact O-N 3.13Å; A536-H539 PolarHBondContact O-CD2 3.48Å; A536-H539 PolarHBondContact O-NE2 3.31Å; H539-V543 PolarHBondContact NE2-O 3.1Å; H539-Y545 PolarHBondContact CE1-O 3.4Å; H539-N546 PolarHBondContact ND1-ND2 3.22Å
540	K	96.4	Very high	96.6	Very high	56 Å²	56	50.5 Å²	50.5	24%	0.243	27%	0.272	C	S	.	.	S	Bend	trans	-109.1	13.7	177.4	-49.9	-55.3	168.7	-129.9	0	113.9	Q205 A209 V212 E473 S538	Q205-K540 VanDerWaalsContact CD-O 3.27Å; Q205-K540 WeakPolarHBondContact CG-O 3.29Å; Q205-K540 PolarHBondContact NE2-O 3.14Å; A209-K540 HydrophobicContact CB-CB 3.89Å; V212-K540 HydrophobicContact CB-CG 4.16Å; V212-K540 HydrophobicContact CG1-CG 4.32Å; V212-K540 HydrophobicContact CG2-CG 3.76Å; E473-K540 PolarHBondContact OE2-N 3.25Å; S538-K540 PolarHBondContact O-NZ 3.17Å
541	S	95.6	Very high	96.7	Very high	15 Å²	15	48.4 Å²	48.4	11%	0.105	26%	0.263	C	S	.	.	S	Bend	trans	-71	165	163.8	-172.7	0	0	0	0	110.8	D201	D201-S541 PolarHBondContact OD1-OG 2.77Å; D201-S541 WeakPolarHBondContact OD2-CA 3.23Å; D201-S541 WeakPolarHBondContact OD2-CB 3.25Å; D201-S541 PolarHBondContact OD2-OG 3.37Å
542	A	95	Very high	96.9	Very high	57 Å²	57	49.7 Å²	49.7	47%	0.471	27%	0.267	S	S	.	.	S	Bend	trans	-93.6	-11.8	174.2	0	0	0	0	0	113.9	D201 Q205	D201-A542 VanDerWaalsContact OD1-CB 3.28Å; D201-A542 WeakPolarHBondContact OD1-CB 3.43Å; D201-A542 PolarHBondContact OD1-N 3.02Å; Q205-A542 HydrophobicContact CG-CB 4.23Å
543	V	96	Very high	97	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.024	26%	0.258	C	S	.	.	S	Bend	trans	-80	153.2	179.8	-63.5	0	0	0	0	112.8	A200 P449 H539 Y545	A200-V543 HydrophobicContact CB-CG1 3.57Å; P449-V543 HydrophobicContact CB-CG1 3.77Å; P449-V543 HydrophobicContact CB-CG2 4.04Å; H539-V543 PolarHBondContact NE2-O 3.1Å; V543-Y545 HydrophobicContact CB-CD1 4.27Å; V543-Y545 HydrophobicContact CB-CE1 4.02Å; V543-Y545 HydrophobicContact CG2-CD1 4.5Å; V543-Y545 HydrophobicContact CG2-CE1 4.33Å; V543-Y545 HydrophobicContact CG2-CE2 4.47Å; V543-Y545 PolarHBondContact O-N 3.22Å
544	E	95.9	Very high	97	Very high	114 Å²	114	48.4 Å²	48.4	53%	0.533	26%	0.256	S	S	.	.	S	Bend	trans	-82.2	3.3	-170.6	-40	86.3	177.1	0	0	114.2	S451 T452	S451-E544 WeakPolarHBondContact CB-OE1 3.31Å; T452-E544 WeakPolarHBondContact CB-OE2 3.2Å; T452-E544 PolarHBondContact N-OE2 3.3Å; T452-E544 PolarHBondContact OG1-OE2 3.32Å
545	Y	97.3	Very high	96.9	Very high	30 Å²	30	48.2 Å²	48.2	12%	0.118	26%	0.256	C	S	.	.			trans	-139.4	164.8	-171.6	64.9	-95.3	0	0	0	111.9	A414 Y450 K455 H539 V543	A414-Y545 HydrophobicContact CB-CD2 3.62Å; A414-Y545 HydrophobicContact CB-CE1 4.48Å; A414-Y545 HydrophobicContact CB-CE2 3.58Å; A414-Y545 HydrophobicContact CB-CG 4.11Å; Y450-Y545 WeakPolarHBondContact O-CE1 3.41Å; Y450-Y545 PolarHBondContact O-OH 2.8Å; K455-Y545 WeakPolarHBondContact CE-OH 3.5Å; H539-Y545 PolarHBondContact CE1-O 3.4Å; V543-Y545 HydrophobicContact CB-CD1 4.27Å; V543-Y545 HydrophobicContact CB-CE1 4.02Å; V543-Y545 HydrophobicContact CG2-CD1 4.5Å; V543-Y545 HydrophobicContact CG2-CE1 4.33Å; V543-Y545 HydrophobicContact CG2-CE2 4.47Å; V543-Y545 PolarHBondContact O-N 3.22Å
546	N	98.5	Very high	96.8	Very high	8 Å²	8	47 Å²	47	4%	0.043	25%	0.248	C	C	.	.			trans	-135.6	131.7	172.6	-158.2	-48.8	0	0	0	109.4	N470 E474 I534 A536 H539 F548 E549	N470-N546 VanDerWaalsContact ND2-CG 3.28Å; N470-N546 PolarHBondContact ND2-ND2 2.67Å; N470-N546 PolarHBondContact ND2-OD1 2.92Å; N470-N546 WeakPolarHBondContact OD1-CA 3.38Å; E474-N546 PolarHBondContact OE1-ND2 3.42Å; I534-N546 WeakPolarHBondContact CG2-ND2 3.28Å; A536-N546 HydrophobicContact CB-CB 4.18Å; H539-N546 PolarHBondContact ND1-ND2 3.22Å; N546-F548 PolarHBondContact O-N 3.12Å; N546-F548 WeakPolarHBondContact OD1-CD2 3.37Å; N546-F548 PolarHBondContact OD1-N 3.06Å; N546-E549 HydrophobicContact CB-CB 4.38Å; N546-E549 WeakPolarHBondContact O-CB 3.36Å; N546-E549 PolarHBondContact O-N 2.91Å; N546-E549 VanDerWaalsContact O-N 3.14Å
547	I	98.5	Very high	96.8	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.1	176.5	61.2	159.6	0	0	0	112.8	A395 T399 F415 V469 N470	A395-I547 HydrophobicContact CB-CD1 3.53Å; T399-I547 HydrophobicContact CG2-CD1 4.15Å; F415-I547 HydrophobicContact CD1-CB 3.97Å; F415-I547 HydrophobicContact CD1-CG2 3.92Å; F415-I547 HydrophobicContact CE1-CB 3.54Å; F415-I547 HydrophobicContact CE1-CG2 3.91Å; F415-I547 WeakPolarHBondContact CE1-O 3.31Å; F415-I547 HydrophobicContact CG-CG2 4.25Å; F415-I547 HydrophobicContact CZ-CB 3.99Å; F415-I547 HydrophobicContact CZ-CG2 4.22Å; F415-I547 WeakPolarHBondContact CZ-O 3.48Å; V469-I547 HydrophobicContact CB-CD1 4Å; V469-I547 HydrophobicContact CB-CG2 4.18Å; V469-I547 HydrophobicContact CG1-CD1 4.39Å; V469-I547 HydrophobicContact CG1-CG2 3.99Å; V469-I547 HydrophobicContact CG2-CD1 4.17Å; N470-I547 PolarHBondContact OD1-N 3.29Å
548	F	98.6	Very high	96.8	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.013	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	21.8	174.6	-42.6	-72.3	0	0	0	112.8	A394 T399 E474 V478 I534 N546 G550 M551	A394-F548 HydrophobicContact CB-CZ 4.11Å; A394-F548 WeakPolarHBondContact O-CE1 3.4Å; A394-F548 WeakPolarHBondContact O-CZ 3.48Å; T399-F548 HydrophobicContact CG2-CD1 4.3Å; T399-F548 HydrophobicContact CG2-CE1 3.97Å; E474-F548 HydrophobicContact CB-CD2 3.78Å; E474-F548 HydrophobicContact CB-CE2 3.85Å; E474-F548 HydrophobicContact CG-CD2 3.83Å; E474-F548 HydrophobicContact CG-CE2 4.28Å; V478-F548 HydrophobicContact CG2-CD1 4.34Å; V478-F548 HydrophobicContact CG2-CD2 4.39Å; V478-F548 HydrophobicContact CG2-CE1 4.38Å; V478-F548 HydrophobicContact CG2-CE2 4.43Å; V478-F548 HydrophobicContact CG2-CG 4.33Å; V478-F548 HydrophobicContact CG2-CZ 4.42Å; I534-F548 HydrophobicContact CB-CB 4.39Å; I534-F548 HydrophobicContact CD1-CB 3.95Å; I534-F548 HydrophobicContact CG2-CB 4.07Å; N546-F548 PolarHBondContact O-N 3.12Å; N546-F548 WeakPolarHBondContact OD1-CD2 3.37Å; N546-F548 PolarHBondContact OD1-N 3.06Å; F548-G550 PolarHBondContact O-N 2.82Å; F548-M551 HydrophobicContact CB-CB 4.29Å; F548-M551 HydrophobicContact CB-CE 4.07Å; F548-M551 HydrophobicContact CD1-CE 3.79Å; F548-M551 HydrophobicContact CG-CE 4.38Å; F548-M551 WeakPolarHBondContact O-CB 3.34Å; F548-M551 PolarHBondContact O-N 2.94Å
549	E	98.2	Very high	97.1	Very high	98 Å²	98	37 Å²	37	46%	0.458	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	123.2	-176.8	-174.7	67.4	-151.3	0	0	112.7	T535 A536 N546 M551	T535-E549 WeakPolarHBondContact CA-OE2 3.49Å; T535-E549 WeakPolarHBondContact CB-OE1 3.34Å; A536-E549 PolarHBondContact N-OE2 3.33Å; N546-E549 HydrophobicContact CB-CB 4.38Å; N546-E549 WeakPolarHBondContact O-CB 3.36Å; N546-E549 PolarHBondContact O-N 2.91Å; N546-E549 VanDerWaalsContact O-N 3.14Å; E549-M551 VanDerWaalsContact C-N 3.31Å
550	G	97.9	Very high	97.2	Very high	46 Å²	46	36.2 Å²	36.2	47%	0.474	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	0.1	-179.9	0	0	0	0	0	114.8	I534 F548 E552	I534-G550 PolarHBondContact O-N 3.39Å; F548-G550 PolarHBondContact O-N 2.82Å; G550-E552 PolarHBondContact O-N 3.44Å
551	M	97.8	Very high	97.3	Very high	36 Å²	36	33.5 Å²	33.5	18%	0.177	18%	0.183	C	C	.	.			trans	-69.6	122.3	175.3	-167.8	-178.8	-61.2	0	0	110.3	G398 T533 I534 F548 E549	G398-M551 WeakPolarHBondContact O-CE 3.41Å; T533-M551 CarbonylContact C-O 3.56Å; T533-M551 WeakPolarHBondContact CA-O 3.32Å; I534-M551 PolarHBondContact N-O 2.93Å; F548-M551 HydrophobicContact CB-CB 4.29Å; F548-M551 HydrophobicContact CB-CE 4.07Å; F548-M551 HydrophobicContact CD1-CE 3.79Å; F548-M551 HydrophobicContact CG-CE 4.38Å; F548-M551 WeakPolarHBondContact O-CB 3.34Å; F548-M551 PolarHBondContact O-N 2.94Å; E549-M551 VanDerWaalsContact C-N 3.31Å
552	E	97.9	Very high	97.4	Very high	136 Å²	136	33 Å²	33	64%	0.636	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.8	168.3	-60.3	-170.6	117.8	0	0	108.7	T533 G550	T533-E552 HydrophobicContact CG2-CG 4.21Å; G550-E552 PolarHBondContact O-N 3.44Å
553	C	97.2	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.7	179.6	-67	0	0	0	0	111.1	T477 D481 L531 K532	T477-C553 HydrophobicContact CG2-CB 3.26Å; D481-C553 HydrophobicContact CB-CB 3.8Å; D481-C553 WeakPolarHBondContact OD1-CA 3.28Å; L531-C553 WeakPolarHBondContact CA-O 3.48Å; K532-C553 PolarHBondContact N-O 3.2Å; K532-C553 PolarHBondContact O-N 3.37Å
554	H	97.2	Very high	97.5	Very high	80 Å²	80	32 Å²	32	37%	0.37	17%	0.165	S	C	.	.	S	Bend	trans	-76.5	159.3	163.2	-55.3	78.8	0	0	0	110.3	W480 D481 A485	W480-H554 VanDerWaalsContact CD1-O 3.3Å; D481-H554 IonicContact OD1-CE1 3.9Å; D481-H554 IonicContact OD1-CG 3.69Å; D481-H554 PolarHBondContact OD1-N 3.22Å; D481-H554 IonicContact OD1-ND1 2.85Å; D481-H554 PolarHBondContact OD1-ND1 3.23Å; A485-H554 HydrophobicContact CB-CB 3.93Å
555	G	95.9	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.			trans	81.5	115.7	175.2	0	0	0	0	0	113.5	T477 W480 W526 D527 P528 K530	T477-G555 WeakPolarHBondContact CB-O 3.49Å; T477-G555 WeakPolarHBondContact CG2-O 3.28Å; T477-G555 PolarHBondContact OG1-O 3.35Å; W480-G555 VanDerWaalsContact CD1-CA 3.41Å; W526-G555 VanDerWaalsContact CZ2-CA 3.46Å; W526-G555 WeakPolarHBondContact CZ2-O 3.46Å; D527-G555 CarbonylContact O-C 3.54Å; D527-G555 VanDerWaalsContact O-CA 3.26Å; D527-G555 WeakPolarHBondContact O-CA 3.28Å; P528-G555 PolarHBondContact O-N 3.46Å; K530-G555 PolarHBondContact O-N 3.02Å
556	S	96	Very high	97.6	Very high	8 Å²	8	31 Å²	31	6%	0.056	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	145	177.5	172.3	0	0	0	0	111.6	D527 K530	D527-S556 PolarHBondContact N-O 2.83Å; D527-S556 PolarHBondContact O-N 3.17Å; K530-S556 PolarHBondContact NZ-OG 3.18Å
557	P	97.4	Very high	97.6	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.013	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	137.9	169.1	28.3	-32.6	0	0	0	110.2	V212 V524 W526 V560 F568	V212-P557 WeakPolarHBondContact O-CG 3.5Å; V524-P557 HydrophobicContact CG1-CB 3.84Å; W526-P557 HydrophobicContact CE3-CB 4.3Å; W526-P557 HydrophobicContact CZ3-CB 4.43Å; W526-P557 HydrophobicContact CZ3-CG 4.41Å; P557-V560 HydrophobicContact CB-CG2 3.76Å; P557-F568 HydrophobicContact CG-CE1 4.43Å
558	L	96.6	Very high	97.5	Very high	48 Å²	48	31.2 Å²	31.2	25%	0.251	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-46.4	168.3	-61.6	-177.2	0	0	0	111	R177 I525 D527 K530	R177-L558 HydrophobicContact CG-CD1 4.19Å; I525-L558 PolarHBondContact O-N 3.16Å; D527-L558 HydrophobicContact CB-CD1 3.88Å; D527-L558 HydrophobicContact CB-CD2 3.76Å; D527-L558 HydrophobicContact CB-CG 3.68Å; K530-L558 HydrophobicContact CD-CD2 3.82Å
559	V	98.4	Very high	97.4	Very high	13 Å²	13	33.3 Å²	33.3	8%	0.079	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	134.2	179.7	-172.7	0	0	0	0	108.2	I172 V524 I525 I561 I566 F568 E569	I172-V559 HydrophobicContact CG2-CG2 4.33Å; V524-V559 WeakPolarHBondContact CA-O 3.33Å; I525-V559 HydrophobicContact CB-CB 4.08Å; I525-V559 HydrophobicContact CB-CG2 4.48Å; I525-V559 HydrophobicContact CD1-CB 4.08Å; I525-V559 HydrophobicContact CD1-CG2 4.23Å; I525-V559 HydrophobicContact CG1-CB 4.17Å; I525-V559 PolarHBondContact N-O 3.45Å; I525-V559 PolarHBondContact O-N 3.37Å; V559-I561 HydrophobicContact CG1-CG1 4.21Å; V559-I566 HydrophobicContact CG1-CG2 3.93Å; V559-F568 CarbonylContact C-O 3.48Å; V559-F568 VanDerWaalsContact CA-O 3.27Å; V559-F568 WeakPolarHBondContact CA-O 3.49Å; V559-E569 HydrophobicContact CG2-CG 4.36Å
560	V	98.7	Very high	96.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.3	172.9	-175.7	0	0	0	0	108.5	L211 T216 V524 P557 V567 F568	L211-V560 HydrophobicContact CD2-CG1 4.11Å; L211-V560 WeakPolarHBondContact O-CG2 3.41Å; T216-V560 HydrophobicContact CG2-CG1 3.73Å; V524-V560 HydrophobicContact CG1-CG2 4.38Å; V524-V560 HydrophobicContact CG2-CG1 4.09Å; V524-V560 HydrophobicContact CG2-CG2 4.15Å; P557-V560 HydrophobicContact CB-CG2 3.76Å; V560-V567 HydrophobicContact CB-CG2 4.3Å; V560-V567 HydrophobicContact CG1-CG2 4.09Å; V560-V567 VanDerWaalsContact O-CG2 3.28Å; V560-V567 WeakPolarHBondContact O-CG2 3.31Å; V560-V567 PolarHBondContact O-N 3.09Å; V560-F568 HydrophobicContact CB-CB 3.94Å; V560-F568 HydrophobicContact CG2-CB 4.14Å; V560-F568 HydrophobicContact CG2-CD1 4.08Å; V560-F568 PolarHBondContact N-O 3.25Å; V560-F568 PolarHBondContact O-N 3.16Å
561	I	98.6	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.2	179.4	-52.5	175.4	0	0	0	106.6	L131 I133 L151 I172 D522 V523 V559 K565 I566	L131-I561 HydrophobicContact CD1-CD1 4.02Å; L131-I561 HydrophobicContact CD1-CG1 4.44Å; L131-I561 HydrophobicContact CD1-CG2 3.91Å; I133-I561 HydrophobicContact CD1-CD1 3.86Å; I133-I561 HydrophobicContact CG1-CD1 4.26Å; L151-I561 HydrophobicContact CD1-CD1 3.79Å; L151-I561 HydrophobicContact CD1-CG2 4.01Å; I172-I561 HydrophobicContact CD1-CD1 3.77Å; D522-I561 CarbonylContact C-O 3.53Å; D522-I561 WeakPolarHBondContact CA-O 3.35Å; V523-I561 HydrophobicContact CB-CB 4.35Å; V523-I561 PolarHBondContact N-O 3.33Å; V523-I561 WeakPolarHBondContact O-CB 3.48Å; V523-I561 PolarHBondContact O-N 3.2Å; V559-I561 HydrophobicContact CG1-CG1 4.21Å; I561-K565 CarbonylContact C-O 3.53Å; I561-K565 VanDerWaalsContact CA-O 3.25Å; I561-K565 WeakPolarHBondContact CA-O 2.81Å; I561-I566 HydrophobicContact CG1-CG1 4.27Å
562	S	98.3	Very high	96.2	Very high	4 Å²	4	38 Å²	38	3%	0.028	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.6	176.2	-179.1	0	0	0	0	108.2	D522 G564 K565	D522-S562 WeakPolarHBondContact OD1-CA 3.43Å; S562-G564 PolarHBondContact O-N 3Å; S562-G564 VanDerWaalsContact O-N 3.13Å; S562-K565 PolarHBondContact N-O 3.43Å; S562-K565 PolarHBondContact O-N 3.4Å
563	Q	97.1	Very high	96.1	Very high	38 Å²	38	33 Å²	33	18%	0.178	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	34.2	-174.2	-48	177.2	21.3	0	0	113.4	G154 D248 A521 D522 K565 M579 R581	G154-Q563 VanDerWaalsContact CA-O 3.23Å; G154-Q563 WeakPolarHBondContact CA-O 3.26Å; D248-Q563 PolarHBondContact OD1-NE2 3.03Å; A521-Q563 PolarHBondContact O-N 3.36Å; D522-Q563 PolarHBondContact OD1-N 3.33Å; Q563-K565 VanDerWaalsContact C-N 3.3Å; Q563-K565 PolarHBondContact O-N 2.73Å; Q563-M579 PolarHBondContact NE2-O 3.3Å; Q563-R581 VanDerWaalsContact CD-NE 3.31Å
564	G	96.8	Very high	96	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.01	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	6.8	-177.7	0	0	0	0	0	115.5	L131 A521 S562	L131-G564 WeakPolarHBondContact CD1-O 3.35Å; A521-G564 PolarHBondContact O-N 3.49Å; S562-G564 PolarHBondContact O-N 3Å; S562-G564 VanDerWaalsContact O-N 3.13Å
565	K	96.8	Very high	95.9	Very high	98 Å²	98	34.9 Å²	34.9	43%	0.426	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.7	178.3	-53.2	-163	176.8	-164.8	0	111	D129 I561 S562 Q563 V567	D129-K565 HydrophobicContact CB-CG 4.39Å; D129-K565 VanDerWaalsContact OD2-CD 3.31Å; D129-K565 WeakPolarHBondContact OD2-CD 3.49Å; D129-K565 WeakPolarHBondContact OD2-CE 3.36Å; D129-K565 WeakPolarHBondContact OD2-CG 3.47Å; D129-K565 IonicContact OD2-NZ 2.87Å; I561-K565 CarbonylContact C-O 3.53Å; I561-K565 VanDerWaalsContact CA-O 3.25Å; I561-K565 WeakPolarHBondContact CA-O 2.81Å; S562-K565 PolarHBondContact N-O 3.43Å; S562-K565 PolarHBondContact O-N 3.4Å; Q563-K565 VanDerWaalsContact C-N 3.3Å; Q563-K565 PolarHBondContact O-N 2.73Å; K565-V567 PolarHBondContact O-N 3.4Å; K565-V567 VanDerWaalsContact O-N 3.12Å
566	I	97.4	Very high	95.8	Very high	27 Å²	27	40.5 Å²	40.5	14%	0.138	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	106.3	174.7	-59.3	168	0	0	0	108.3	L131 K170 I172 V559 I561 E569	L131-I566 HydrophobicContact CD1-CD1 4.26Å; L131-I566 HydrophobicContact CD1-CG1 3.72Å; L131-I566 HydrophobicContact CD2-CD1 4.02Å; L131-I566 HydrophobicContact CD2-CG1 4.3Å; K170-I566 HydrophobicContact CD-CD1 3.66Å; K170-I566 VanDerWaalsContact CE-CD1 3.49Å; I172-I566 HydrophobicContact CD1-CD1 3.66Å; I172-I566 HydrophobicContact CD1-CG1 4.01Å; I172-I566 HydrophobicContact CG1-CD1 4.09Å; V559-I566 HydrophobicContact CG1-CG2 3.93Å; I561-I566 HydrophobicContact CG1-CG1 4.27Å; I566-E569 HydrophobicContact CG2-CB 3.72Å; I566-E569 HydrophobicContact CG2-CG 4.44Å
567	V	97.9	Very high	95.8	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-20.9	-178.1	-70.5	0	0	0	0	112.5	L211 V560 K565 I573 N574 V575 M579	L211-V567 HydrophobicContact CD1-CB 4.29Å; L211-V567 HydrophobicContact CD1-CG2 4.07Å; L211-V567 HydrophobicContact CD2-CG2 3.85Å; L211-V567 HydrophobicContact CG-CG2 4.38Å; V560-V567 HydrophobicContact CB-CG2 4.3Å; V560-V567 HydrophobicContact CG1-CG2 4.09Å; V560-V567 VanDerWaalsContact O-CG2 3.28Å; V560-V567 WeakPolarHBondContact O-CG2 3.31Å; V560-V567 PolarHBondContact O-N 3.09Å; K565-V567 PolarHBondContact O-N 3.4Å; K565-V567 VanDerWaalsContact O-N 3.12Å; V567-I573 CarbonylContact O-C 3.21Å; V567-I573 WeakPolarHBondContact O-CA 3.43Å; V567-I573 WeakPolarHBondContact O-CG1 3.23Å; V567-N574 PolarHBondContact O-N 2.83Å; V567-V575 HydrophobicContact CB-CG1 3.76Å; V567-V575 HydrophobicContact CG1-CG1 3.93Å; V567-M579 HydrophobicContact CG1-CE 4.06Å
568	F	97.9	Very high	95.6	Very high	16 Å²	16	47.9 Å²	47.9	7%	0.07	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	130.6	171.5	179.7	-105	0	0	0	110.2	V212 P557 V559 V560 N572 I573	V212-F568 HydrophobicContact CB-CE2 4.45Å; V212-F568 HydrophobicContact CG1-CE2 3.98Å; V212-F568 HydrophobicContact CG1-CZ 4.22Å; V212-F568 HydrophobicContact CG2-CD2 3.93Å; V212-F568 HydrophobicContact CG2-CE2 4.04Å; P557-F568 HydrophobicContact CG-CE1 4.43Å; V559-F568 CarbonylContact C-O 3.48Å; V559-F568 VanDerWaalsContact CA-O 3.27Å; V559-F568 WeakPolarHBondContact CA-O 3.49Å; V560-F568 HydrophobicContact CB-CB 3.94Å; V560-F568 HydrophobicContact CG2-CB 4.14Å; V560-F568 HydrophobicContact CG2-CD1 4.08Å; V560-F568 PolarHBondContact N-O 3.25Å; V560-F568 PolarHBondContact O-N 3.16Å; F568-N572 WeakPolarHBondContact CA-O 3.37Å; F568-N572 WeakPolarHBondContact CD2-O 3.28Å; F568-I573 HydrophobicContact CD2-CB 4.29Å
569	E	95.8	Very high	95.6	Very high	47 Å²	47	47.9 Å²	47.9	22%	0.22	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	138.3	178.6	-173.7	172.4	-120.9	0	0	108.6	K170 V559 I566 G571 N572	K170-E569 IonicContact NZ-OE1 3.69Å; K170-E569 PolarHBondContact NZ-OE1 2.87Å; K170-E569 IonicContact NZ-OE2 3.53Å; K170-E569 PolarHBondContact NZ-OE2 3.46Å; V559-E569 HydrophobicContact CG2-CG 4.36Å; I566-E569 HydrophobicContact CG2-CB 3.72Å; I566-E569 HydrophobicContact CG2-CG 4.44Å; E569-G571 PolarHBondContact O-N 2.94Å; E569-G571 VanDerWaalsContact O-N 3.1Å; E569-N572 PolarHBondContact N-O 2.87Å; E569-N572 VanDerWaalsContact N-O 3.08Å; E569-N572 PolarHBondContact O-N 2.74Å
570	D	87.4	Confident	95.5	Very high	127 Å²	127	47.5 Å²	47.5	68%	0.679	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	33.8	179.2	-66	-30.2	0	0	0	115.2	N572	D570-N572 PolarHBondContact O-N 2.98Å; D570-N572 PolarHBondContact O-ND2 3.13Å; D570-N572 VanDerWaalsContact O-ND2 3.15Å
571	G	88.6	Confident	95.5	Very high	51 Å²	51	51.8 Å²	51.8	53%	0.526	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	-2.4	-178.3	0	0	0	0	0	115	E569	E569-G571 PolarHBondContact O-N 2.94Å; E569-G571 VanDerWaalsContact O-N 3.1Å
572	N	93.5	Very high	95.5	Very high	100 Å²	100	53.4 Å²	53.4	54%	0.535	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.2	177.4	-58.1	-75.1	0	0	0	110.1	F568 E569 D570	F568-N572 WeakPolarHBondContact CA-O 3.37Å; F568-N572 WeakPolarHBondContact CD2-O 3.28Å; E569-N572 PolarHBondContact N-O 2.87Å; E569-N572 VanDerWaalsContact N-O 3.08Å; E569-N572 PolarHBondContact O-N 2.74Å; D570-N572 PolarHBondContact O-N 2.98Å; D570-N572 PolarHBondContact O-ND2 3.13Å; D570-N572 VanDerWaalsContact O-ND2 3.15Å
573	I	95.5	Very high	95.5	Very high	31 Å²	31	53.4 Å²	53.4	16%	0.159	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.6	177.2	-180	151.7	0	0	0	110.8	R208 L211 V212 V567 F568 V575	R208-I573 HydrophobicContact CB-CD1 4.47Å; R208-I573 HydrophobicContact CG-CD1 3.59Å; R208-I573 HydrophobicContact CG-CG1 4.32Å; R208-I573 VanDerWaalsContact O-CD1 3.23Å; R208-I573 WeakPolarHBondContact O-CD1 3.47Å; L211-I573 HydrophobicContact CB-CD1 4.17Å; V212-I573 HydrophobicContact CG2-CB 4.18Å; V212-I573 HydrophobicContact CG2-CD1 3.52Å; V212-I573 HydrophobicContact CG2-CG1 4.44Å; V212-I573 HydrophobicContact CG2-CG2 4.49Å; V567-I573 CarbonylContact O-C 3.21Å; V567-I573 WeakPolarHBondContact O-CA 3.43Å; V567-I573 WeakPolarHBondContact O-CG1 3.23Å; F568-I573 HydrophobicContact CD2-CB 4.29Å; I573-V575 HydrophobicContact CD1-CG1 4.17Å; I573-V575 HydrophobicContact CD1-CG2 4.2Å; I573-V575 HydrophobicContact CG1-CB 4.47Å; I573-V575 HydrophobicContact CG1-CG1 3.87Å; I573-V575 HydrophobicContact CG1-CG2 3.91Å
574	N	94.6	Very high	95.6	Very high	101 Å²	101	55.3 Å²	55.3	54%	0.54	30%	0.3	S	S	.	.			trans	-118.4	83.4	-175	-62.5	-39.8	0	0	0	109.2	V567	V567-N574 PolarHBondContact O-N 2.83Å
575	V	95.2	Very high	95.6	Very high	20 Å²	20	55.3 Å²	55.3	12%	0.121	30%	0.299	C	S	.	.			trans	-137.2	149.3	-178.2	-60.3	0	0	0	0	111.6	F204 R208 L211 C246 V567 I573	F204-V575 HydrophobicContact CE2-CG2 4.49Å; R208-V575 HydrophobicContact CB-CG2 4.41Å; R208-V575 HydrophobicContact CG-CG2 4.02Å; L211-V575 HydrophobicContact CD1-CG1 3.73Å; C246-V575 HydrophobicContact CB-CB 3.95Å; C246-V575 HydrophobicContact CB-CG1 4.19Å; C246-V575 HydrophobicContact CB-CG2 4.09Å; C246-V575 VanDerWaalsContact SG-CG2 3.53Å; V567-V575 HydrophobicContact CB-CG1 3.76Å; V567-V575 HydrophobicContact CG1-CG1 3.93Å; I573-V575 HydrophobicContact CD1-CG1 4.17Å; I573-V575 HydrophobicContact CD1-CG2 4.2Å; I573-V575 HydrophobicContact CG1-CB 4.47Å; I573-V575 HydrophobicContact CG1-CG1 3.87Å; I573-V575 HydrophobicContact CG1-CG2 3.91Å
576	N	93.4	Very high	95.7	Very high	117 Å²	117	58.8 Å²	58.8	63%	0.626	31%	0.314	S	S	*	.			trans	-114.2	160.2	171.9	-61.5	-52.9	0	0	0	109.9	M579	N576-M579 HydrophobicContact CB-CG 3.99Å; N576-M579 HydrophobicContact CB-SD 3.82Å; N576-M579 PolarHBondContact N-SD 2.89Å
577	K	95.8	Very high	95.7	Very high	129 Å²	129	58.6 Å²	58.6	56%	0.561	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	138.1	170.6	-71.6	178.8	179.1	-171.1	0	110.2	F204 M579	F204-K577 HydrophobicContact CB-CG 4.23Å; F204-K577 HydrophobicContact CD1-CG 4.49Å; F204-K577 HydrophobicContact CD2-CB 4.33Å; F204-K577 HydrophobicContact CD2-CD 4.27Å; F204-K577 HydrophobicContact CD2-CG 3.28Å; F204-K577 HydrophobicContact CE2-CG 3.63Å; F204-K577 HydrophobicContact CG-CD 4.3Å; F204-K577 HydrophobicContact CG-CG 3.76Å; F204-K577 HydrophobicContact CZ-CG 4.37Å; K577-M579 VanDerWaalsContact C-N 3.33Å; K577-M579 PolarHBondContact O-N 3.44Å
578	G	94.5	Very high	95.7	Very high	37 Å²	37	63.7 Å²	63.7	38%	0.381	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	25	178.5	0	0	0	0	0	114.3	D242 S245	D242-G578 VanDerWaalsContact O-CA 3.23Å; D242-G578 WeakPolarHBondContact O-CA 3.49Å; S245-G578 CarbonylContact O-C 3Å; S245-G578 WeakPolarHBondContact O-CA 3.15Å; S245-G578 PolarHBondContact O-N 3.33Å; S245-G578 VanDerWaalsContact O-N 3.08Å
579	M	95.6	Very high	95.7	Very high	48 Å²	48	63 Å²	63	24%	0.236	34%	0.336	C	S	.	.			trans	-77.6	-28.6	167	-80.1	-179.5	52.8	0	0	112	S245 Q563 V567 N576 K577	S245-M579 PolarHBondContact O-N 3.05Å; Q563-M579 PolarHBondContact NE2-O 3.3Å; V567-M579 HydrophobicContact CG1-CE 4.06Å; N576-M579 HydrophobicContact CB-CG 3.99Å; N576-M579 HydrophobicContact CB-SD 3.82Å; N576-M579 PolarHBondContact N-SD 2.89Å; K577-M579 VanDerWaalsContact C-N 3.33Å; K577-M579 PolarHBondContact O-N 3.44Å
580	G	96.5	Very high	95.7	Very high	4 Å²	4	65.8 Å²	65.8	4%	0.041	35%	0.349	C	S	.	.			trans	-70	143.9	178	0	0	0	0	0	113	S245 C247	S245-G580 PolarHBondContact O-N 3.3Å; C247-G580 WeakPolarHBondContact O-CA 3.41Å
581	R	97.9	Very high	96.1	Very high	90 Å²	90	64 Å²	64	34%	0.34	34%	0.337	S	S	.	.			trans	-111.8	142.3	178.6	-53.8	166.7	-58.3	-178.9	5.7	110.4	D248 Y249 D520 Q563 I583	D248-R581 WeakPolarHBondContact CA-O 3.43Å; D248-R581 WeakPolarHBondContact OD1-CB 3.11Å; D248-R581 IonicContact OD1-CZ 2.73Å; D248-R581 PolarHBondContact OD1-N 2.67Å; D248-R581 IonicContact OD1-NE 3.62Å; D248-R581 PolarHBondContact OD1-NE 3.04Å; D248-R581 IonicContact OD1-NH2 3.7Å; D248-R581 IonicContact OD2-CZ 3.8Å; D248-R581 IonicContact OD2-NE 2.76Å; D248-R581 IonicContact OD2-NH2 3.21Å; D248-R581 PolarHBondContact OD2-NH2 2.88Å; Y249-R581 PolarHBondContact N-O 3.09Å; D520-R581 IonicContact OD2-NH2 3.98Å; Q563-R581 VanDerWaalsContact CD-NE 3.31Å; R581-I583 HydrophobicContact CB-CD1 4.38Å; R581-I583 PolarHBondContact O-N 2.91Å
582	F	98.7	Very high	96.4	Very high	35 Å²	35	61.5 Å²	61.5	15%	0.154	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-65.3	131.5	165.6	-178.5	-113.7	0	0	0	110.6	F234 H238 Y249 L251 K273 P584	F234-F582 HydrophobicContact CE2-CE2 4.46Å; F234-F582 HydrophobicContact CE2-CZ 4.24Å; F234-F582 HydrophobicContact CZ-CE2 4.46Å; F234-F582 HydrophobicContact CZ-CZ 4.05Å; H238-F582 AromaticContact CD2-CD1 3.96Å; H238-F582 AromaticContact CD2-CD2 3.82Å; H238-F582 AromaticContact CD2-CG 3.66Å; H238-F582 WeakPolarHBondContact NE2-CB 3.22Å; H238-F582 AromaticContact NE2-CD1 3.57Å; H238-F582 AromaticContact NE2-CG 3.42Å; H238-F582 WeakPolarHBondContact NE2-CG 3.24Å; Y249-F582 HydrophobicContact CD2-CD2 4.1Å; Y249-F582 HydrophobicContact CE1-CB 4.09Å; Y249-F582 HydrophobicContact CE2-CB 4.16Å; Y249-F582 AromaticContact CE2-CD2 3.64Å; Y249-F582 HydrophobicContact CE2-CD2 3.64Å; Y249-F582 HydrophobicContact CE2-CG 4.36Å; Y249-F582 CarbonylContact O-C 3.37Å; Y249-F582 WeakPolarHBondContact O-CA 3.35Å; L251-F582 HydrophobicContact CB-CE2 4.33Å; L251-F582 HydrophobicContact CD1-CE2 4.4Å; L251-F582 HydrophobicContact CG-CE2 4.22Å; K273-F582 WeakPolarHBondContact O-CE1 3.49Å; K273-F582 WeakPolarHBondContact O-CZ 3.25Å; F582-P584 HydrophobicContact CD1-CB 4.46Å; F582-P584 HydrophobicContact CE1-CB 3.94Å; F582-P584 WeakPolarHBondContact O-CD 3.3Å
583	I	98.7	Very high	96.5	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.015	29%	0.289	C	S	.	.			trans	-109.4	101.4	177.7	-49.5	-59.8	0	0	0	108.5	M217 D248 Y249 S250 L508 R581	M217-I583 HydrophobicContact CE-CB 3.87Å; M217-I583 HydrophobicContact CE-CG1 4.03Å; M217-I583 HydrophobicContact CE-CG2 4.45Å; D248-I583 HydrophobicContact CB-CD1 4.04Å; D248-I583 HydrophobicContact CB-CG1 3.83Å; D248-I583 WeakPolarHBondContact OD2-CD1 3.35Å; Y249-I583 PolarHBondContact O-N 3.03Å; S250-I583 WeakPolarHBondContact CB-O 3.36Å; S250-I583 PolarHBondContact OG-O 3.39Å; L508-I583 HydrophobicContact CD2-CB 4.39Å; L508-I583 HydrophobicContact CD2-CG2 3.42Å; L508-I583 VanDerWaalsContact CD2-CG2 3.42Å; R581-I583 HydrophobicContact CB-CD1 4.38Å; R581-I583 PolarHBondContact O-N 2.91Å
584	P	98.4	Very high	96.5	Very high	78 Å²	78	60.8 Å²	60.8	51%	0.506	30%	0.304	S	S	.	.			trans	-69.1	138.2	176.2	27.9	-34.1	0	0	0	110.3	F582	F582-P584 HydrophobicContact CD1-CB 4.46Å; F582-P584 HydrophobicContact CE1-CB 3.94Å; F582-P584 WeakPolarHBondContact O-CD 3.3Å
585	R	98.4	Very high	96.5	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.008	30%	0.296	C	S	.	.			trans	-115.7	125.3	-175.4	-64.5	176.2	-70.8	150.8	6.6	109.8	S250 L251 G274 N276 S277 F506 L508	S250-R585 PolarHBondContact OG-NE 3.44Å; L251-R585 VanDerWaalsContact C-NH2 3.28Å; L251-R585 PolarHBondContact O-NH2 3.46Å; G274-R585 CarbonylContact C-O 3.14Å; G274-R585 PolarHBondContact O-N 2.9Å; N276-R585 HydrophobicContact CB-CB 4.27Å; N276-R585 WeakPolarHBondContact ND2-CB 3.29Å; N276-R585 PolarHBondContact OD1-NH1 3.32Å; S277-R585 VanDerWaalsContact OG-CZ 3.31Å; S277-R585 PolarHBondContact OG-NH1 3.07Å; S277-R585 PolarHBondContact OG-NH2 3.42Å; F506-R585 WeakPolarHBondContact O-CD 3.44Å; F506-R585 WeakPolarHBondContact O-CG 3.42Å; L508-R585 HydrophobicContact CD2-CG 3.75Å; L508-R585 HydrophobicContact CG-CG 4.19Å
586	K	97.9	Very high	96.4	Very high	170 Å²	170	60 Å²	60	74%	0.739	29%	0.291	S	S	*	.			trans	-75	143.7	179.5	-66.4	-178	179.7	-179.3	0	110.9	N276 N507	N276-K586 WeakPolarHBondContact CB-O 3.42Å; N276-K586 PolarHBondContact ND2-O 2.67Å; N507-K586 PolarHBondContact ND2-O 3.3Å
587	A	97.7	Very high	96.4	Very high	24 Å²	24	61.1 Å²	61.1	20%	0.198	29%	0.291	C	S	.	.	S	Bend	trans	-60.8	170.3	167.3	0	0	0	0	0	112.9	V270 L305	V270-A587 HydrophobicContact CG1-CB 3.7Å; L305-A587 VanDerWaalsContact O-CB 3.31Å; L305-A587 WeakPolarHBondContact O-CB 3.36Å
588	F	97.9	Very high	96.3	Very high	108 Å²	108	59.8 Å²	59.8	47%	0.474	29%	0.288	S	S	.	.	S	Bend	trans	51.5	59.8	-175.5	-56.2	-86.3	0	0	0	113.4	G304 G306 E590 Y593	G304-F588 WeakPolarHBondContact O-CZ 3.26Å; G306-F588 VanDerWaalsContact CA-CD1 3.49Å; G306-F588 PolarHBondContact O-N 2.85Å; F588-E590 PolarHBondContact O-N 3.27Å; F588-Y593 HydrophobicContact CB-CG 4.42Å; F588-Y593 AromaticContact CD1-CD1 3.74Å; F588-Y593 HydrophobicContact CD1-CD1 3.74Å; F588-Y593 HydrophobicContact CD1-CE1 4.2Å; F588-Y593 AromaticContact CD1-CG 3.97Å; F588-Y593 HydrophobicContact CD1-CG 3.97Å; F588-Y593 HydrophobicContact CE1-CD1 4.26Å; F588-Y593 HydrophobicContact CE1-CE1 4.4Å
589	P	97.5	Very high	96.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	28%	0.28	C	S	.	.			trans	-53	116.7	170.6	-17.9	25.9	0	0	0	110.2	G306 V308 I505 N507 H591 L592 Y593	G306-P589 WeakPolarHBondContact O-CD 3.45Å; V308-P589 HydrophobicContact CG2-CG 4.04Å; I505-P589 WeakPolarHBondContact O-CB 3.25Å; I505-P589 VanDerWaalsContact O-CG 3.3Å; I505-P589 WeakPolarHBondContact O-CG 3.4Å; N507-P589 HydrophobicContact CB-CB 3.99Å; N507-P589 HydrophobicContact CB-CG 4.06Å; P589-H591 PolarHBondContact O-N 3.32Å; P589-L592 HydrophobicContact CB-CD1 4.23Å; P589-L592 HydrophobicContact CB-CG 4.2Å; P589-L592 HydrophobicContact CG-CD1 4.17Å; P589-L592 PolarHBondContact O-N 2.98Å; P589-Y593 PolarHBondContact O-N 3.07Å
590	E	95.8	Very high	95.9	Very high	106 Å²	106	62.1 Å²	62.1	50%	0.495	29%	0.289	S	S	.	.	H	α-helix	trans	-58.7	-36.4	-171.9	-176.8	66.1	-171.4	0	0	111.2	F588 L592 Y593 Q594	F588-E590 PolarHBondContact O-N 3.27Å; E590-L592 PolarHBondContact O-N 3.43Å; E590-Y593 PolarHBondContact O-N 2.88Å; E590-Q594 HydrophobicContact CG-CB 4.28Å; E590-Q594 WeakPolarHBondContact O-CB 3.19Å; E590-Q594 PolarHBondContact O-N 3.48Å; E590-Q594 WeakPolarHBondContact OE1-CB 3.17Å; E590-Q594 VanDerWaalsContact OE1-CG 3.3Å; E590-Q594 WeakPolarHBondContact OE1-CG 3.36Å; E590-Q594 PolarHBondContact OE1-NE2 2.97Å
591	H	95.3	Very high	95.6	Very high	89 Å²	89	69.9 Å²	69.9	41%	0.412	32%	0.322	S	S	.	.	H	α-helix	trans	-50.9	-32.1	174.1	-174.9	68.9	0	0	0	113.6	K504 P589	K504-H591 HydrophobicContact CB-CB 4.26Å; P589-H591 PolarHBondContact O-N 3.32Å
592	L	95.5	Very high	95.1	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-98.3	-54.2	178.3	-51.6	-177.5	0	0	0	111.3	V308 P363 F389 I505 P589 E590 Q594 R595	V308-L592 HydrophobicContact CB-CD1 4.47Å; V308-L592 HydrophobicContact CG1-CD1 4.2Å; V308-L592 HydrophobicContact CG2-CD1 3.71Å; P363-L592 HydrophobicContact CB-CB 4.3Å; P363-L592 HydrophobicContact CB-CD1 4.32Å; P363-L592 HydrophobicContact CG-CB 4.34Å; P363-L592 HydrophobicContact CG-CD1 4.35Å; F389-L592 HydrophobicContact CD2-CD2 4.29Å; F389-L592 HydrophobicContact CE1-CD2 4.15Å; F389-L592 HydrophobicContact CE2-CD2 3.34Å; F389-L592 HydrophobicContact CZ-CD2 3.25Å; I505-L592 HydrophobicContact CG1-CD2 4.36Å; I505-L592 HydrophobicContact CG2-CD1 4.37Å; P589-L592 HydrophobicContact CB-CD1 4.23Å; P589-L592 HydrophobicContact CB-CG 4.2Å; P589-L592 HydrophobicContact CG-CD1 4.17Å; P589-L592 PolarHBondContact O-N 2.98Å; E590-L592 PolarHBondContact O-N 3.43Å; L592-Q594 PolarHBondContact O-N 3.1Å; L592-R595 PolarHBondContact O-N 3.44Å
593	Y	96.9	Very high	94.3	Very high	14 Å²	14	76.4 Å²	76.4	6%	0.055	36%	0.361	C	S	.	.	H	α-helix	trans	-80.3	-18.3	-164.3	-84.1	-89.9	0	0	0	114.3	K303 G306 A307 P363 F588 P589 E590 R595 V596 K597	K303-Y593 HydrophobicContact CG-CE1 4.4Å; G306-Y593 VanDerWaalsContact C-CZ 3.46Å; G306-Y593 VanDerWaalsContact O-CE2 3.26Å; G306-Y593 WeakPolarHBondContact O-CE2 3.47Å; A307-Y593 PolarHBondContact N-OH 3.06Å; A307-Y593 WeakPolarHBondContact O-CE2 3.45Å; A307-Y593 PolarHBondContact O-OH 3.47Å; P363-Y593 HydrophobicContact CG-CE2 3.87Å; F588-Y593 HydrophobicContact CB-CG 4.42Å; F588-Y593 AromaticContact CD1-CD1 3.74Å; F588-Y593 HydrophobicContact CD1-CD1 3.74Å; F588-Y593 HydrophobicContact CD1-CE1 4.2Å; F588-Y593 AromaticContact CD1-CG 3.97Å; F588-Y593 HydrophobicContact CD1-CG 3.97Å; F588-Y593 HydrophobicContact CE1-CD1 4.26Å; F588-Y593 HydrophobicContact CE1-CE1 4.4Å; P589-Y593 PolarHBondContact O-N 3.07Å; E590-Y593 PolarHBondContact O-N 2.88Å; Y593-R595 VanDerWaalsContact C-N 3.31Å; Y593-R595 PolarHBondContact O-N 2.9Å; Y593-V596 HydrophobicContact CD1-CB 4.09Å; Y593-V596 HydrophobicContact CD1-CG1 4.22Å; Y593-V596 HydrophobicContact CD1-CG2 4.18Å; Y593-V596 HydrophobicContact CE1-CG1 4.42Å; Y593-V596 HydrophobicContact CE1-CG2 4.44Å; Y593-V596 PolarHBondContact O-N 3.1Å; Y593-K597 VanDerWaalsContact O-CB 3.28Å; Y593-K597 WeakPolarHBondContact O-CB 3.47Å; Y593-K597 PolarHBondContact O-N 2.78Å
594	Q	95.4	Very high	93.4	Very high	101 Å²	101	78.5 Å²	78.5	47%	0.472	38%	0.384	S	S	.	.	H	α-helix	trans	-57.6	-46	170.6	-169.7	178.9	71.7	0	0	111.1	E590 L592 K597 I598	E590-Q594 HydrophobicContact CG-CB 4.28Å; E590-Q594 WeakPolarHBondContact O-CB 3.19Å; E590-Q594 PolarHBondContact O-N 3.48Å; E590-Q594 WeakPolarHBondContact OE1-CB 3.17Å; E590-Q594 VanDerWaalsContact OE1-CG 3.3Å; E590-Q594 WeakPolarHBondContact OE1-CG 3.36Å; E590-Q594 PolarHBondContact OE1-NE2 2.97Å; L592-Q594 PolarHBondContact O-N 3.1Å; Q594-K597 PolarHBondContact O-N 3.1Å; Q594-I598 HydrophobicContact CG-CD1 4.46Å; Q594-I598 WeakPolarHBondContact O-CG1 3.19Å; Q594-I598 PolarHBondContact O-N 2.84Å; Q594-I598 VanDerWaalsContact O-N 3.16Å
595	R	93.7	Very high	92.7	Very high	103 Å²	103	82.9 Å²	82.9	39%	0.389	40%	0.402	S	S	.	.	H	α-helix	trans	-67.7	-40.1	176.9	-71.1	176.8	62.5	-167.5	-5.5	111.9	G385 L387 L592 Y593 I598 R599	G385-R595 PolarHBondContact O-NH2 3.37Å; L387-R595 HydrophobicContact CD1-CB 4.19Å; L387-R595 HydrophobicContact CD2-CB 4.1Å; L592-R595 PolarHBondContact O-N 3.44Å; Y593-R595 VanDerWaalsContact C-N 3.31Å; Y593-R595 PolarHBondContact O-N 2.9Å; R595-I598 PolarHBondContact O-N 3.26Å; R595-R599 VanDerWaalsContact NH2-NH2 3.2Å; R595-R599 WeakPolarHBondContact O-CB 3.47Å; R595-R599 VanDerWaalsContact O-CG 3.28Å; R595-R599 WeakPolarHBondContact O-CG 3.45Å; R595-R599 PolarHBondContact O-N 3.2Å
596	V	94.1	Very high	92.2	Very high	3 Å²	3	91.7 Å²	91.7	2%	0.018	44%	0.443	C	S	.	.	H	α-helix	trans	-58.8	-48.4	175.1	177.8	0	0	0	0	110.9	N361 L387 Y593 I598 R599 N600	N361-V596 PolarHBondContact ND2-O 3.27Å; L387-V596 HydrophobicContact CD1-CG2 3.42Å; L387-V596 VanDerWaalsContact CD1-CG2 3.42Å; Y593-V596 HydrophobicContact CD1-CB 4.09Å; Y593-V596 HydrophobicContact CD1-CG1 4.22Å; Y593-V596 HydrophobicContact CD1-CG2 4.18Å; Y593-V596 HydrophobicContact CE1-CG1 4.42Å; Y593-V596 HydrophobicContact CE1-CG2 4.44Å; Y593-V596 PolarHBondContact O-N 3.1Å; V596-I598 PolarHBondContact O-N 3.25Å; V596-R599 PolarHBondContact O-N 3.31Å; V596-N600 PolarHBondContact O-N 3.02Å; V596-N600 PolarHBondContact O-ND2 2.84Å
597	K	93.3	Very high	91.8	Very high	140 Å²	140	87.2 Å²	87.2	61%	0.609	45%	0.446	S	S	*	.	H	α-helix	trans	-60.9	-41.5	-179	-174.9	177.1	-175.7	175.3	0	112.3	Y593 Q594 K601	Y593-K597 VanDerWaalsContact O-CB 3.28Å; Y593-K597 WeakPolarHBondContact O-CB 3.47Å; Y593-K597 PolarHBondContact O-N 2.78Å; Q594-K597 PolarHBondContact O-N 3.1Å; K597-K601 WeakPolarHBondContact O-CG 3.47Å
598	I	93	Very high	91.7	Very high	100 Å²	100	90.9 Å²	90.9	51%	0.513	47%	0.465	S	S	.	.	H	α-helix	trans	-67.5	-45.1	175.2	-66.1	166.7	0	0	0	110.5	Q594 R595 V596 N600 K601 V602	Q594-I598 HydrophobicContact CG-CD1 4.46Å; Q594-I598 WeakPolarHBondContact O-CG1 3.19Å; Q594-I598 PolarHBondContact O-N 2.84Å; Q594-I598 VanDerWaalsContact O-N 3.16Å; R595-I598 PolarHBondContact O-N 3.26Å; V596-I598 PolarHBondContact O-N 3.25Å; I598-N600 PolarHBondContact O-N 2.63Å; I598-K601 WeakPolarHBondContact O-CB 3.31Å; I598-K601 PolarHBondContact O-N 2.9Å; I598-K601 VanDerWaalsContact O-N 3.11Å; I598-V602 HydrophobicContact CG2-CG2 4.48Å; I598-V602 PolarHBondContact O-N 3.2Å
599	R	91.9	Very high	91.5	Very high	52 Å²	52	91.5 Å²	91.5	20%	0.196	48%	0.483	C	S	.	.	H	α-helix	trans	-61.1	-44.4	179.6	-76	173.9	179.9	-165.4	-6.9	113.3	N361 G385 R595 V596 K601 V602 F603	N361-R599 VanDerWaalsContact ND2-CB 3.27Å; N361-R599 WeakPolarHBondContact ND2-CB 3.35Å; N361-R599 WeakPolarHBondContact OD1-CD 3.35Å; G385-R599 PolarHBondContact O-NH1 3.49Å; G385-R599 PolarHBondContact O-NH2 2.87Å; R595-R599 VanDerWaalsContact NH2-NH2 3.2Å; R595-R599 WeakPolarHBondContact O-CB 3.47Å; R595-R599 VanDerWaalsContact O-CG 3.28Å; R595-R599 WeakPolarHBondContact O-CG 3.45Å; R595-R599 PolarHBondContact O-N 3.2Å; V596-R599 PolarHBondContact O-N 3.31Å; R599-K601 PolarHBondContact O-N 3.22Å; R599-K601 VanDerWaalsContact O-N 3.17Å; R599-V602 PolarHBondContact O-N 3.22Å; R599-V602 VanDerWaalsContact O-N 3.12Å; R599-F603 HydrophobicContact CB-CD2 4.1Å; R599-F603 HydrophobicContact CG-CD2 4.23Å; R599-F603 HydrophobicContact CG-CE2 4.18Å; R599-F603 WeakPolarHBondContact O-CD2 3.3Å; R599-F603 PolarHBondContact O-N 3.09Å
600	N	90.1	Very high	91.3	Very high	82 Å²	82	100.9 Å²	100.9	44%	0.439	52%	0.518	S	S	.	.	H	α-helix	trans	-59.1	-27.3	177	-68.7	-22	0	0	0	112.3	K303 N361 V596 I598	K303-N600 PolarHBondContact NZ-OD1 3.44Å; N361-N600 PolarHBondContact ND2-OD1 3.11Å; V596-N600 PolarHBondContact O-N 3.02Å; V596-N600 PolarHBondContact O-ND2 2.84Å; I598-N600 PolarHBondContact O-N 2.63Å
601	K	88.9	Confident	91.2	Very high	168 Å²	168	99.2 Å²	99.2	73%	0.73	53%	0.53	S	S	*	.	H	α-helix	trans	-78.7	-36.8	175.6	-68.2	178.5	175.8	-169.1	0	113.4	K597 I598 R599	K597-K601 WeakPolarHBondContact O-CG 3.47Å; I598-K601 WeakPolarHBondContact O-CB 3.31Å; I598-K601 PolarHBondContact O-N 2.9Å; I598-K601 VanDerWaalsContact O-N 3.11Å; R599-K601 PolarHBondContact O-N 3.22Å; R599-K601 VanDerWaalsContact O-N 3.17Å
602	V	88.4	Confident	91	Very high	106 Å²	106	103.8 Å²	103.8	64%	0.642	55%	0.554	S	S	*	*	H	α-helix	trans	-87.5	-37.1	-173.5	178.8	0	0	0	0	112.2	I598 R599 G604	I598-V602 HydrophobicContact CG2-CG2 4.48Å; I598-V602 PolarHBondContact O-N 3.2Å; R599-V602 PolarHBondContact O-N 3.22Å; R599-V602 VanDerWaalsContact O-N 3.12Å; V602-G604 VanDerWaalsContact C-N 3.34Å; V602-G604 PolarHBondContact O-N 3.38Å
603	F	82.4	Confident	90.9	Very high	155 Å²	155	111.5 Å²	111.5	68%	0.68	58%	0.584	S	S	*	*	S	Bend	trans	-96.2	33.1	-176.4	-64.7	-76.2	0	0	0	113.3	R599 L605	R599-F603 HydrophobicContact CB-CD2 4.1Å; R599-F603 HydrophobicContact CG-CD2 4.23Å; R599-F603 HydrophobicContact CG-CE2 4.18Å; R599-F603 WeakPolarHBondContact O-CD2 3.3Å; R599-F603 PolarHBondContact O-N 3.09Å; F603-L605 PolarHBondContact O-N 3.33Å
604	G	78.4	Confident	90.7	Very high	47 Å²	47	118.4 Å²	118.4	49%	0.485	62%	0.622	S	S	.	*			trans	-62.4	125.8	175.7	0	0	0	0	0	111.4	V602 Q606	V602-G604 VanDerWaalsContact C-N 3.34Å; V602-G604 PolarHBondContact O-N 3.38Å; G604-Q606 PolarHBondContact O-N 2.61Å
605	L	84.3	Confident	90.6	Very high	171 Å²	171	114.8 Å²	114.8	90%	0.895	61%	0.611	S	S	*	*			trans	-68.3	125.9	176.6	-64.1	176.8	0	0	0	110	F603	F603-L605 PolarHBondContact O-N 3.33Å
606	Q	87	Confident	90.5	Very high	186 Å²	186	115.6 Å²	115.6	87%	0.869	63%	0.63	S	S	*	*			trans	-116.6	124.9	177.2	-65.8	-176.6	-1.1	0	0	109.9	G604	G604-Q606 PolarHBondContact O-N 2.61Å
607	G	90.6	Very high	90.4	Very high	77 Å²	77	121.2 Å²	121.2	79%	0.794	66%	0.664	S	S	*	*			trans	-71.8	138.7	169.5	0	0	0	0	0	110.5	S609	G607-S609 PolarHBondContact O-N 3.15Å
608	V	95.1	Very high	90.3	Very high	100 Å²	100	124.2 Å²	124.2	61%	0.606	67%	0.673	S	S	*	*			trans	-69.5	115.3	169.4	179.4	0	0	0	0	108.1	R610	V608-R610 HydrophobicContact CG1-CG 4.22Å; V608-R610 PolarHBondContact O-N 3.01Å
609	S	94	Very high	90	Very high	121 Å²	121	127.9 Å²	127.9	85%	0.846	69%	0.688	S	S	*	*			trans	-62	127.9	171.5	-171.1	0	0	0	0	109.7	G607	G607-S609 PolarHBondContact O-N 3.15Å
610	R	94.4	Very high	89.6	Confident	197 Å²	197	131.2 Å²	131.2	74%	0.743	71%	0.714	S	S	*	*			trans	-133.8	151.7	178.3	-64.5	-175.5	-178.3	91.9	-6.1	108.5	V608	V608-R610 HydrophobicContact CG1-CG 4.22Å; V608-R610 PolarHBondContact O-N 3.01Å
611	G	92.4	Very high	89.1	Confident	71 Å²	71	132.6 Å²	132.6	73%	0.732	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-61.6	162.8	166	0	0	0	0	0	111.2	Y613	G611-Y613 PolarHBondContact O-N 3.39Å
612	M	91.4	Very high	88.4	Confident	185 Å²	185	129.2 Å²	129.2	91%	0.911	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-61	138	168.2	-64.3	-163.2	-60.9	0	0	109.2	D614	M612-D614 PolarHBondContact O-N 2.76Å
613	Y	94.1	Very high	87.2	Confident	162 Å²	162	130.2 Å²	130.2	64%	0.635	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-69.9	121.1	174.3	177.5	-104.9	0	0	0	109.5	G611 G615 P616 V617	G611-Y613 PolarHBondContact O-N 3.39Å; Y613-G615 WeakPolarHBondContact CE1-O 3.12Å; Y613-G615 VanDerWaalsContact CZ-CA 3.47Å; Y613-P616 PolarHBondContact OH-O 3.5Å; Y613-P616 VanDerWaalsContact OH-O 3.11Å; Y613-V617 HydrophobicContact CD1-CG2 4.08Å; Y613-V617 HydrophobicContact CE1-CG2 3.85Å
614	D	92.1	Very high	86	Confident	159 Å²	159	128.6 Å²	128.6	85%	0.85	74%	0.742	S	S	*	*			trans	-106.1	-1.5	-177	60.4	-16.2	0	0	0	113.1	M612	M612-D614 PolarHBondContact O-N 2.76Å
615	G	93.8	Very high	85	Confident	25 Å²	25	135.8 Å²	135.8	26%	0.258	76%	0.76	S	S	.	*	S	Bend	trans	-77.3	172.6	176	0	0	0	0	0	114.1	Y613	Y613-G615 WeakPolarHBondContact CE1-O 3.12Å; Y613-G615 VanDerWaalsContact CZ-CA 3.47Å
616	P	91.2	Very high	83.4	Confident	120 Å²	120	139.2 Å²	139.2	78%	0.779	76%	0.763	S	S	*	*			trans	-67.6	137.5	178.8	28.7	-34.9	0	0	0	112.1	Y613	Y613-P616 PolarHBondContact OH-O 3.5Å; Y613-P616 VanDerWaalsContact OH-O 3.11Å
617	V	91	Very high	81.5	Confident	121 Å²	121	134.6 Å²	134.6	73%	0.733	76%	0.756	S	S	*	*			trans	-108.3	133.2	172.2	-178.7	0	0	0	0	108.9	Y613	Y613-V617 HydrophobicContact CD1-CG2 4.08Å; Y613-V617 HydrophobicContact CE1-CG2 3.85Å
618	Y	91.8	Very high	79.2	Confident	203 Å²	203	137.3 Å²	137.3	80%	0.796	76%	0.758	S	S	*	*			trans	-76.5	127.9	176.1	-170.7	-85.4	0	0	0	110.5	V620	Y618-V620 HydrophobicContact CD1-CG2 4.42Å; Y618-V620 PolarHBondContact O-N 3.11Å; Y618-V620 VanDerWaalsContact O-N 3.14Å
619	E	86.1	Confident	76.8	Confident	178 Å²	178	138.5 Å²	138.5	83%	0.832	77%	0.768	S	S	*	*			trans	-69.3	109.9	175.5	-70.1	-168.7	168.7	0	0	110.8	P621	E619-P621 WeakPolarHBondContact O-CD 3.41Å
620	V	84.4	Confident	74.1	Confident	122 Å²	122	137 Å²	137	74%	0.739	76%	0.763	S	S	*	*			trans	-89.7	116.5	168.1	-178.4	0	0	0	0	107.7	Y618 A622	Y618-V620 HydrophobicContact CD1-CG2 4.42Å; Y618-V620 PolarHBondContact O-N 3.11Å; Y618-V620 VanDerWaalsContact O-N 3.14Å; V620-A622 PolarHBondContact O-N 3.48Å; V620-A622 VanDerWaalsContact O-N 3.17Å
621	P	79.8	Confident	71.5	Confident	111 Å²	111	133.8 Å²	133.8	72%	0.721	77%	0.767	S	S	*	*			trans	-57.6	123.4	175.7	-23.6	33.9	0	0	0	109.9	E619 T623	E619-P621 WeakPolarHBondContact O-CD 3.41Å; P621-T623 PolarHBondContact O-N 3.05Å
622	A	73.4	Confident	69.2	Low	97 Å²	97	135.7 Å²	135.7	80%	0.802	77%	0.769	S	S	*	*			trans	-63.3	107.2	176.8	0	0	0	0	0	109.2	V620 P624	V620-A622 PolarHBondContact O-N 3.48Å; V620-A622 VanDerWaalsContact O-N 3.17Å; A622-P624 WeakPolarHBondContact O-CD 3.25Å; A622-P624 VanDerWaalsContact O-N 3.15Å
623	T	63.4	Low	66.5	Low	126 Å²	126	131.7 Å²	131.7	77%	0.773	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-56.3	119.6	166.7	45	0	0	0	0	107.6	P621 K625	P621-T623 PolarHBondContact O-N 3.05Å; T623-K625 PolarHBondContact O-N 3.18Å
624	P	57.5	Low	64.1	Low	122 Å²	122	133.7 Å²	133.7	79%	0.792	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-61.5	117.2	-176.2	23.5	-32.6	0	0	0	109	A622 Y626	A622-P624 WeakPolarHBondContact O-CD 3.25Å; A622-P624 VanDerWaalsContact O-N 3.15Å; P624-Y626 PolarHBondContact O-N 3.21Å
625	K	57.9	Low	61.3	Low	197 Å²	197	131.7 Å²	131.7	86%	0.857	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-55.6	133.8	166.3	-67.7	-176	178.9	-177.9	0	107.1	T623 A627	T623-K625 PolarHBondContact O-N 3.18Å; K625-A627 PolarHBondContact O-N 3.2Å
626	Y	50.4	Low	58.6	Low	244 Å²	244	136 Å²	136	96%	0.957	80%	0.803	S	S	*	*			trans	-42	103.1	-176.5	-97.8	-101.5	0	0	0	111.7	P624	P624-Y626 PolarHBondContact O-N 3.21Å
627	A	47.6	Very low	56.8	Low	88 Å²	88	136.5 Å²	136.5	73%	0.727	81%	0.806	S	S	*	*			trans	-90.7	127.8	170.7	0	0	0	0	0	108	K625	K625-A627 PolarHBondContact O-N 3.2Å
628	T	42.4	Very low	54.1	Low	134 Å²	134	136.6 Å²	136.6	82%	0.822	81%	0.812	S	S	*	*			trans	-56.3	131.6	175.3	-9.1	0	0	0	0	109.7	A630	T628-A630 PolarHBondContact O-N 2.84Å; T628-A630 VanDerWaalsContact O-N 3.07Å
629	P	43.9	Very low	51.8	Low	126 Å²	126	135.6 Å²	135.6	82%	0.818	81%	0.811	S	S	*	*			trans	-72	107.9	-173.5	27.3	-34	0	0	0	111.5
630	A	36.7	Very low	49.6	Very low	90 Å²	90	135.3 Å²	135.3	74%	0.744	81%	0.81	S	S	*	*			trans	-78.9	147.3	164.3	0	0	0	0	0	110.4	T628	T628-A630 PolarHBondContact O-N 2.84Å; T628-A630 VanDerWaalsContact O-N 3.07Å
631	P	39.4	Very low	47.5	Very low	128 Å²	128	138.4 Å²	138.4	83%	0.831	82%	0.816	S	S	*	*			trans	-76.8	132.9	-166.1	28.8	-34.9	0	0	0	114.3
632	S	45.5	Very low	46	Very low	111 Å²	111	138.3 Å²	138.3	78%	0.776	82%	0.815	S	S	*	*			trans	-3.7	121.3	159.9	-167.3	0	0	0	0	118.8
633	A	34.4	Very low	45.1	Very low	101 Å²	101	139.2 Å²	139.2	84%	0.835	81%	0.813	S	S	*	*			trans	-125.9	133.6	152.5	0	0	0	0	0	109.6
634	K	42.6	Very low	44.5	Very low	204 Å²	204	139.1 Å²	139.1	89%	0.887	82%	0.815	S	S	*	*			trans	-81.6	136.3	-172	-59.6	169.6	-179.7	173.5	0	112
635	S	34.4	Very low	44.3	Very low	118 Å²	118	141.3 Å²	141.3	83%	0.825	82%	0.818	S	S	*	*			trans	-154.9	155.9	143.2	61.2	0	0	0	0	111.4
636	S	37.6	Very low	43.9	Very low	116 Å²	116	142.6 Å²	142.6	81%	0.811	82%	0.817	S	S	*	*			trans	-102.9	175.9	-158.2	-47.3	0	0	0	0	112.6
637	P	52.7	Low	43.9	Very low	130 Å²	130	135.7 Å²	135.7	84%	0.844	80%	0.797	S	S	*	*			trans	-94	158.7	-150.8	37.5	-37.9	0	0	0	115.8
638	S	34.3	Very low	44.1	Very low	122 Å²	122	138.9 Å²	138.9	85%	0.853	80%	0.801	S	S	*	*			trans	-139.4	166	155.7	64.9	0	0	0	0	110.7
639	K	42.4	Very low	44.5	Very low	182 Å²	182	140.8 Å²	140.8	79%	0.791	80%	0.8	S	S	*	*			trans	-107.6	166.5	-146.6	-65.7	175	172.2	175.2	0	115.7
640	H	40.1	Very low	44.6	Very low	172 Å²	172	142.1 Å²	142.1	80%	0.796	80%	0.796	S	S	*	*			trans	79.3	86.8	159.2	-60.9	-67.4	0	0	0	118
641	Q	41.8	Very low	45	Very low	188 Å²	188	142 Å²	142	88%	0.879	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-100.3	147.4	144.1	-80.2	-176.5	-25.2	0	0	109.9
642	P	48.1	Very low	45.3	Very low	108 Å²	108	143.2 Å²	143.2	70%	0.701	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-67.8	161.3	169.7	30.4	-34.8	0	0	0	111.3
643	P	53.8	Low	45.2	Very low	116 Å²	116	146.1 Å²	146.1	75%	0.753	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-63.3	139.5	-177.7	26.9	-35	0	0	0	111.2	I645	P643-I645 PolarHBondContact O-N 3.01Å
644	P	50.4	Low	45.8	Very low	124 Å²	124	145.3 Å²	145.3	81%	0.805	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-65.8	129	-179.2	26.4	-33.5	0	0	0	110.7	R646	P644-R646 PolarHBondContact O-N 3.37Å
645	I	54.5	Low	45.8	Very low	169 Å²	169	143.3 Å²	143.3	87%	0.867	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-63.4	117.9	172.2	-63.7	171.8	0	0	0	107.9	P643 N647	P643-I645 PolarHBondContact O-N 3.01Å; I645-N647 PolarHBondContact O-N 3.41Å
646	R	49.6	Very low	46.6	Very low	223 Å²	223	142.6 Å²	142.6	84%	0.842	77%	0.769	S	S	*	*			trans	-67	104	-177.4	-174.1	179.1	-176.3	175.1	1.4	110.3	P644 L648	P644-R646 PolarHBondContact O-N 3.37Å; R646-L648 PolarHBondContact O-N 3.35Å
647	N	50	Low	47.5	Very low	99 Å²	99	139.9 Å²	139.9	53%	0.529	76%	0.76	S	S	.	*			trans	-71.8	110.6	175.7	-169.8	-26.8	0	0	0	110.2	I645 H649 Q650	I645-N647 PolarHBondContact O-N 3.41Å; N647-H649 PolarHBondContact O-N 3.14Å; N647-H649 PolarHBondContact OD1-N 3.22Å; N647-Q650 PolarHBondContact O-N 3.46Å
648	L	52.3	Low	47.8	Very low	156 Å²	156	138.3 Å²	138.3	82%	0.817	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-10	-177.7	-87.2	127.3	0	0	0	114.5	R646	R646-L648 PolarHBondContact O-N 3.35Å
649	H	50.3	Low	49.1	Very low	174 Å²	174	138.5 Å²	138.5	81%	0.806	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-6.5	179.9	-66.3	-85.8	0	0	0	114.2	N647 S651	N647-H649 PolarHBondContact O-N 3.14Å; N647-H649 PolarHBondContact OD1-N 3.22Å; H649-S651 VanDerWaalsContact C-N 3.33Å; H649-S651 PolarHBondContact O-N 3.04Å
650	Q	46.1	Very low	49.6	Very low	153 Å²	153	138.6 Å²	138.6	72%	0.715	75%	0.752	S	S	*	*			trans	-88	71.6	169.2	-73.4	-169	-11.3	0	0	111.2	N647 N652	N647-Q650 PolarHBondContact O-N 3.46Å; Q650-N652 PolarHBondContact O-N 3.43Å
651	S	45.5	Very low	50.3	Low	87 Å²	87	134.8 Å²	134.8	61%	0.608	74%	0.738	S	S	*	*			trans	-81.5	85.8	169.3	177.5	0	0	0	0	110.5	H649 F653	H649-S651 VanDerWaalsContact C-N 3.33Å; H649-S651 PolarHBondContact O-N 3.04Å; S651-F653 PolarHBondContact O-N 3.11Å
652	N	45.9	Very low	51.4	Low	155 Å²	155	130.2 Å²	130.2	83%	0.829	72%	0.719	S	S	*	*			trans	-72.5	65.7	168.4	-79.4	-7.2	0	0	0	111.1	Q650 S654	Q650-N652 PolarHBondContact O-N 3.43Å; N652-S654 VanDerWaalsContact C-N 3.27Å; N652-S654 PolarHBondContact O-N 3.06Å
653	F	41.7	Very low	51.9	Low	172 Å²	172	132.9 Å²	132.9	75%	0.754	73%	0.728	S	S	*	*			trans	-79.8	77.7	172.7	-123.9	-81.6	0	0	0	109.8	S651 L655	S651-F653 PolarHBondContact O-N 3.11Å; F653-L655 HydrophobicContact CD1-CG 4.45Å; F653-L655 HydrophobicContact CE1-CD2 4.31Å
654	S	48.1	Very low	52.1	Low	84 Å²	84	132.9 Å²	132.9	59%	0.587	72%	0.721	S	S	*	*			trans	-92.6	123.2	161.5	-179.4	0	0	0	0	108.5	N652 S656	N652-S654 VanDerWaalsContact C-N 3.27Å; N652-S654 PolarHBondContact O-N 3.06Å; S654-S656 PolarHBondContact O-N 3.02Å; S654-S656 PolarHBondContact OG-OG 2.89Å
655	L	42.7	Very low	52.3	Low	161 Å²	161	132.3 Å²	132.3	84%	0.843	72%	0.717	S	S	*	*	S	Bend	trans	-83.2	10.1	178.2	-82.3	167.8	0	0	0	113.5	F653	F653-L655 HydrophobicContact CD1-CG 4.45Å; F653-L655 HydrophobicContact CE1-CD2 4.31Å
656	S	51.5	Low	52	Low	104 Å²	104	135.4 Å²	135.4	73%	0.727	72%	0.718	S	S	*	*	S	Bend	trans	-128.8	80.8	179.8	62.1	0	0	0	0	111.4	S654	S654-S656 PolarHBondContact O-N 3.02Å; S654-S656 PolarHBondContact OG-OG 2.89Å
657	G	55.5	Low	52.1	Low	59 Å²	59	136.2 Å²	136.2	61%	0.608	72%	0.721	S	S	*	*	S	Bend	trans	-171.5	144.5	173.8	0	0	0	0	0	110.4	Q659	G657-Q659 PolarHBondContact O-N 3.1Å
658	A	59.5	Low	51.8	Low	96 Å²	96	138.3 Å²	138.3	79%	0.793	74%	0.738	S	S	*	*			trans	-58.8	134.1	179.5	0	0	0	0	0	110.9	D662	A658-D662 VanDerWaalsContact CA-OD2 3.32Å; A658-D662 WeakPolarHBondContact CA-OD2 3.47Å
659	Q	60.3	Low	51.2	Low	127 Å²	127	134.5 Å²	134.5	59%	0.593	74%	0.737	S	S	*	*			trans	-88	154.2	-177.7	-63.5	-164.4	-23.4	0	0	111.1	G657 D661 D662	G657-Q659 PolarHBondContact O-N 3.1Å; Q659-D661 WeakPolarHBondContact CB-OD1 3.32Å; Q659-D661 PolarHBondContact O-N 3.06Å; Q659-D662 PolarHBondContact N-OD2 3.19Å; Q659-D662 WeakPolarHBondContact O-CB 3.41Å; Q659-D662 PolarHBondContact O-N 2.77Å
660	I	53.9	Low	50.7	Low	183 Å²	183	135.2 Å²	135.2	94%	0.938	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-12.2	-169.7	-156.8	162.6	0	0	0	113.4
661	D	54.9	Low	50.4	Low	92 Å²	92	138.9 Å²	138.9	49%	0.492	75%	0.747	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.5	3.2	177.2	62.4	-37.8	0	0	0	114.2	Q659 N663 N664	Q659-D661 WeakPolarHBondContact CB-OD1 3.32Å; Q659-D661 PolarHBondContact O-N 3.06Å; D661-N663 PolarHBondContact O-N 3.35Å; D661-N663 VanDerWaalsContact O-N 3.1Å; D661-N664 HydrophobicContact CB-CB 4.46Å; D661-N664 VanDerWaalsContact O-CB 3.25Å; D661-N664 WeakPolarHBondContact O-CB 3.42Å; D661-N664 PolarHBondContact O-N 3.17Å
662	D	63.8	Low	50.1	Low	92 Å²	92	142.3 Å²	142.3	49%	0.492	76%	0.757	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.4	-24.6	177.9	-82	-26.9	0	0	0	113.3	A658 Q659	A658-D662 VanDerWaalsContact CA-OD2 3.32Å; A658-D662 WeakPolarHBondContact CA-OD2 3.47Å; Q659-D662 PolarHBondContact N-OD2 3.19Å; Q659-D662 WeakPolarHBondContact O-CB 3.41Å; Q659-D662 PolarHBondContact O-N 2.77Å
663	N	58.8	Low	49.9	Very low	165 Å²	165	140.6 Å²	140.6	88%	0.882	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	2	175.6	-70.2	-48.8	0	0	0	114.1	D661	D661-N663 PolarHBondContact O-N 3.35Å; D661-N663 VanDerWaalsContact O-N 3.1Å
664	N	59.7	Low	49.9	Very low	115 Å²	115	136.3 Å²	136.3	62%	0.615	75%	0.748	S	S	*	*	S	Bend	trans	-91	118.9	-178.9	-158.1	9.6	0	0	0	109.7	D661 R666	D661-N664 HydrophobicContact CB-CB 4.46Å; D661-N664 VanDerWaalsContact O-CB 3.25Å; D661-N664 WeakPolarHBondContact O-CB 3.42Å; D661-N664 PolarHBondContact O-N 3.17Å; N664-R666 PolarHBondContact O-N 2.96Å
665	P	52.9	Low	50	Low	112 Å²	112	137.8 Å²	137.8	73%	0.727	76%	0.756	S	S	*	*			trans	-62.1	113.1	-175.2	22.8	-33.1	0	0	0	111.4	R667	P665-R667 PolarHBondContact O-N 3.04Å; P665-R667 VanDerWaalsContact O-N 3.11Å
666	R	49.1	Very low	50	Low	234 Å²	234	136.8 Å²	136.8	88%	0.883	76%	0.759	S	S	*	*			trans	-58	114.2	-178.2	-68.2	-176.7	177.1	-173.4	-0.6	110.7	N664	N664-R666 PolarHBondContact O-N 2.96Å
667	R	50.8	Low	49.4	Very low	241 Å²	241	135.2 Å²	135.2	91%	0.909	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-61.6	140.1	166	-89.6	-174.5	169.9	-174.1	-2.8	109.9	P665 G669	P665-R667 PolarHBondContact O-N 3.04Å; P665-R667 VanDerWaalsContact O-N 3.11Å; R667-G669 PolarHBondContact O-N 3.37Å
668	T	44	Very low	48.3	Very low	142 Å²	142	136.3 Å²	136.3	87%	0.871	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-58.8	133.9	174.1	37.7	0	0	0	0	110.7
669	G	40.7	Very low	47.2	Very low	77 Å²	77	142.7 Å²	142.7	79%	0.794	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-80.5	158.3	-159.6	0	0	0	0	0	115.9	R667	R667-G669 PolarHBondContact O-N 3.37Å
670	H	38.7	Very low	46.1	Very low	189 Å²	189	142.5 Å²	142.5	88%	0.875	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-102.6	124.7	162.5	-103	-84.1	0	0	0	110.2	I672	H670-I672 PolarHBondContact O-N 2.87Å
671	R	40.1	Very low	45.5	Very low	229 Å²	229	140.3 Å²	140.3	86%	0.864	78%	0.777	S	S	*	*			trans	-81.4	112.7	177.4	-172.5	-177.3	-171.7	175.3	3.2	109.4	V673	R671-V673 HydrophobicContact CG-CG2 4.17Å
672	I	40.2	Very low	44.8	Very low	159 Å²	159	142.7 Å²	142.7	82%	0.815	79%	0.788	S	S	*	*			trans	-102.6	124.9	173.1	-60.6	179.2	0	0	0	109	H670	H670-I672 PolarHBondContact O-N 2.87Å
673	V	40	Very low	43.6	Very low	120 Å²	120	145 Å²	145	73%	0.727	81%	0.806	S	S	*	*			trans	-120.2	93.6	179.7	-179.2	0	0	0	0	108.5	R671	R671-V673 HydrophobicContact CG-CG2 4.17Å
674	A	43.7	Very low	42.8	Very low	81 Å²	81	142.2 Å²	142.2	67%	0.669	80%	0.799	S	S	*	*			trans	175.5	141.9	154.9	0	0	0	0	0	110.5
675	P	48.5	Very low	41.7	Very low	115 Å²	115	145.7 Å²	145.7	75%	0.747	82%	0.817	S	S	*	*			trans	-77.6	152.1	166.5	32.9	-33.6	0	0	0	111.3	G677	P675-G677 PolarHBondContact O-N 3.07Å; P675-G677 VanDerWaalsContact O-N 3.11Å
676	P	43.6	Very low	41	Very low	140 Å²	140	147.7 Å²	147.7	91%	0.909	86%	0.858	S	S	*	*			trans	-72.2	104.5	173.9	-8.2	24.4	0	0	0	110.1
677	G	39.1	Very low	40.6	Very low	72 Å²	72	143.4 Å²	143.4	74%	0.742	86%	0.856	S	S	*	*			trans	-87.7	127.1	176.3	0	0	0	0	0	112.5	P675	P675-G677 PolarHBondContact O-N 3.07Å; P675-G677 VanDerWaalsContact O-N 3.11Å
678	G	31.9	Very low	40.1	Very low	81 Å²	81	138.3 Å²	138.3	84%	0.835	85%	0.854	S	S	*	*			trans	-88.6	108	154.5	0	0	0	0	0	109.4
679	R	36.4	Very low	39.9	Very low	231 Å²	231	138.1 Å²	138.1	87%	0.872	85%	0.853	S	S	*	*			trans	-92.4	127.5	170.2	-81	-178.9	169.3	176.1	-4.2	109.8
680	S	37.8	Very low	39.8	Very low	122 Å²	122	141.6 Å²	141.6	85%	0.853	86%	0.856	S	S	*	*			trans	-105.6	118	164.3	-59.4	0	0	0	0	108.9
681	N	39.8	Very low	39.9	Very low	137 Å²	137	138.7 Å²	138.7	73%	0.733	86%	0.855	S	S	*	*			trans	-108.6	122.4	177.6	-92.6	1.4	0	0	0	111.1
682	I	40.8	Very low	39.9	Very low	143 Å²	143	132.7 Å²	132.7	73%	0.733	85%	0.854	S	S	*	*			trans	41.9	122.1	135.7	-68.9	174	0	0	0	118.8
683	T	40	Very low	39.8	Very low	140 Å²	140	130.8 Å²	130.8	86%	0.859	86%	0.857	S	S	*	*				-154.4	135.5	113.9	12.6	0	0	0	0	111.7
684	S	40.9	Very low	39.8	Very low	107 Å²	107	131.6 Å²	131.6	75%	0.748	87%	0.867	S	S	*	*			trans	-87.9	146.8	166.9	-41	0	0	0	0	109.9
685	L	37.3	Very low	39.5	Very low	188 Å²	188	135.8 Å²	135.8	98%	0.984	88%	0.884	S	S	*	*			trans	173	130.5	148.8	-98.2	158.7	0	0	0	109.4
686	G	37.8	Very low	38.7	Very low	154 Å²	154	137.7 Å²	137.7	100%	1.588	90%	0.896	S	S	*	*			trans	128.5	0	178	0	0	0	0	0	112.7

Retrieved 686 of 686 residues in 517.2 ms (Link to these results)

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