A0A5K4FDF4_SCHMA Loading...

Radial spoke head 10 homolog B

AlphaFold DB , UniProt , Accession A0A5K4FDF4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 765 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	49.6	Very low	211 Å²	211	97.4 Å²	97.4	100%	1.039	54%	0.536	S	S	*	.				0	132.1	0	-75	151.8	165.2	0	0	106.8
2	T	32.5	Very low	50	Low	140 Å²	140	97.8 Å²	97.8	86%	0.859	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-68.5	130.3	174.5	39.5	0	0	0	0	108.5
3	S	36.3	Very low	50.1	Low	109 Å²	109	95.3 Å²	95.3	76%	0.762	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-49.9	132.5	175.6	-39.9	0	0	0	0	109.5	S5	S3-S5 PolarHBondContact O-N 2.87Å
4	P	46.8	Very low	49.9	Very low	78 Å²	78	91.1 Å²	91.1	51%	0.506	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-57.6	129.8	176.6	24.2	-32.9	0	0	0	108.7	T6 T101	P4-T6 PolarHBondContact O-N 3.44Å; P4-T101 HydrophobicContact CG-CG2 3.84Å
5	S	52.1	Low	50	Low	65 Å²	65	95.1 Å²	95.1	46%	0.455	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-56	136.7	174.7	36.3	0	0	0	0	109.1	S3 N43	S3-S5 PolarHBondContact O-N 2.87Å; S5-N43 WeakPolarHBondContact CB-OD1 3.35Å; S5-N43 PolarHBondContact O-OD1 2.96Å; S5-N43 PolarHBondContact OG-OD1 2.65Å
6	T	55.5	Low	49.5	Very low	59 Å²	59	99.6 Å²	99.6	36%	0.362	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-73.1	132.3	179.5	-15.5	0	0	0	0	108	P4 K8 N124	P4-T6 PolarHBondContact O-N 3.44Å; T6-K8 PolarHBondContact O-N 2.99Å; T6-N124 HydrophobicContact CG2-CB 3.86Å; T6-N124 WeakPolarHBondContact CG2-ND2 3.48Å
7	P	59.2	Low	48.9	Very low	5 Å²	5	94.9 Å²	94.9	3%	0.032	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-55.8	130.5	176.2	9.7	-18.1	0	0	0	110.3	N43 W122 Y143	P7-N43 HydrophobicContact CB-CB 4.02Å; P7-W122 HydrophobicContact CG-CD2 3.63Å; P7-W122 HydrophobicContact CG-CE3 4.37Å; P7-W122 HydrophobicContact CG-CG 3.74Å; P7-W122 HydrophobicContact CG-CZ2 3.94Å; P7-W122 VanDerWaalsContact CG-NE1 3.3Å; P7-Y143 PolarHBondContact O-OH 2.84Å
8	K	58.4	Low	48.3	Very low	164 Å²	164	97.2 Å²	97.2	71%	0.713	52%	0.515	S	S	*	.			trans	-118.9	144.2	167.6	-65.3	-175.1	177.6	-176.6	0	107.4	T6 E10	T6-K8 PolarHBondContact O-N 2.99Å; K8-E10 PolarHBondContact O-N 3Å
9	I	61.4	Low	47.6	Very low	20 Å²	20	95.5 Å²	95.5	10%	0.103	51%	0.505	C	S	.	.			trans	-78.4	112	159.2	-74.5	-177.8	0	0	0	105.8	I11 Y143 L149 L166	I9-I11 PolarHBondContact O-N 3.18Å; I9-Y143 HydrophobicContact CD1-CD1 3.33Å; I9-Y143 HydrophobicContact CD1-CE1 3.74Å; I9-Y143 HydrophobicContact CD1-CG 4.24Å; I9-Y143 HydrophobicContact CG1-CD1 3.81Å; I9-Y143 HydrophobicContact CG1-CE1 3.7Å; I9-L149 HydrophobicContact CB-CD2 3.79Å; I9-L149 HydrophobicContact CD1-CD2 3.7Å; I9-L149 HydrophobicContact CG1-CD2 4.17Å; I9-L149 HydrophobicContact CG2-CD2 4.12Å; I9-L166 HydrophobicContact CD1-CD1 4.45Å; I9-L166 HydrophobicContact CG2-CD2 4.41Å
10	E	57.4	Low	46.6	Very low	145 Å²	145	98 Å²	98	68%	0.678	52%	0.519	S	S	*	.			trans	-65.9	124.6	167.8	-71.8	176.4	-178	0	0	108.8	K8	K8-E10 PolarHBondContact O-N 3Å
11	I	54.7	Low	45.9	Very low	75 Å²	75	100 Å²	100	39%	0.385	53%	0.534	S	S	.	.			trans	-101	113.5	171.1	-57.9	164.5	0	0	0	106	I9 D13 L149 Y168	I9-I11 PolarHBondContact O-N 3.18Å; I11-D13 HydrophobicContact CG2-CB 3.92Å; I11-D13 WeakPolarHBondContact CG2-OD1 3.44Å; I11-D13 WeakPolarHBondContact CG2-OD2 3.41Å; I11-L149 HydrophobicContact CD1-CD1 3.51Å; I11-L149 HydrophobicContact CG1-CD1 3.93Å; I11-Y168 HydrophobicContact CD1-CD1 4Å; I11-Y168 HydrophobicContact CD1-CE1 4.29Å; I11-Y168 HydrophobicContact CG1-CD1 4.29Å; I11-Y168 HydrophobicContact CG1-CE1 4.09Å; I11-Y168 HydrophobicContact CG2-CD1 4.35Å; I11-Y168 HydrophobicContact CG2-CE1 3.75Å
12	L	54	Low	45.6	Very low	103 Å²	103	99.1 Å²	99.1	54%	0.539	53%	0.528	S	S	.	.			trans	-96.1	89.2	164.2	-60.9	-178.3	0	0	0	106.7	L184 R185	L12-L184 HydrophobicContact CD1-CD2 3.7Å; L12-R185 PolarHBondContact O-NH2 2.84Å
13	D	52.2	Low	45.3	Very low	65 Å²	65	95.8 Å²	95.8	35%	0.348	52%	0.521	S	S	.	.			trans	-93.4	135.6	174.6	-83	-16.8	0	0	0	111.6	I11 R185	I11-D13 HydrophobicContact CG2-CB 3.92Å; I11-D13 WeakPolarHBondContact CG2-OD1 3.44Å; I11-D13 WeakPolarHBondContact CG2-OD2 3.41Å; D13-R185 IonicContact OD1-CZ 2.92Å; D13-R185 IonicContact OD1-NH1 3.21Å; D13-R185 PolarHBondContact OD1-NH1 3.21Å; D13-R185 IonicContact OD1-NH2 2.68Å
14	D	47.5	Very low	44.8	Very low	36 Å²	36	100.2 Å²	100.2	19%	0.193	53%	0.53	C	S	.	.			trans	-101.7	57.5	-177.8	-61.7	-68.8	0	0	0	110	E16 R185 K207	D14-E16 PolarHBondContact O-N 2.79Å; D14-E16 VanDerWaalsContact O-N 3.08Å; D14-R185 IonicContact OD2-NH2 3.34Å; D14-K207 WeakPolarHBondContact OD1-CE 3.35Å; D14-K207 IonicContact OD1-NZ 2.61Å; D14-K207 PolarHBondContact OD1-NZ 3.02Å; D14-K207 WeakPolarHBondContact OD2-CA 3.22Å; D14-K207 WeakPolarHBondContact OD2-CG 3.22Å
15	E	50.9	Low	43.7	Very low	152 Å²	152	105.4 Å²	105.4	71%	0.71	55%	0.547	S	S	*	.			trans	-64.5	-10.1	-179.2	-71	-154.5	141	0	0	113.9	N17	E15-N17 VanDerWaalsContact C-N 3.29Å; E15-N17 PolarHBondContact O-N 3.31Å
16	E	42.1	Very low	42.5	Very low	166 Å²	166	110.4 Å²	110.4	78%	0.776	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	76.3	169.9	-67.3	-168.8	177.8	0	0	113	D14	D14-E16 PolarHBondContact O-N 2.79Å; D14-E16 VanDerWaalsContact O-N 3.08Å
17	N	39.2	Very low	41	Very low	21 Å²	21	112.8 Å²	112.8	11%	0.112	58%	0.583	C	S	.	*	T	Hydrogen-bonded Turn	trans	-166.7	40.1	150.8	-97	-24.5	0	0	0	113.9	E15 I19 G230 K231	E15-N17 VanDerWaalsContact C-N 3.29Å; E15-N17 PolarHBondContact O-N 3.31Å; N17-I19 VanDerWaalsContact C-N 3.3Å; N17-I19 PolarHBondContact O-N 3.21Å; N17-I19 VanDerWaalsContact O-N 3.17Å; N17-G230 PolarHBondContact ND2-O 3.22Å; N17-K231 WeakPolarHBondContact ND2-CA 3.31Å; N17-K231 WeakPolarHBondContact ND2-CG 3.38Å
18	I	37.2	Very low	39.5	Very low	136 Å²	136	121.3 Å²	121.3	70%	0.697	62%	0.623	S	S	*	*			trans	-75.8	91.9	153.4	-57.9	177	0	0	0	106	N20	I18-N20 PolarHBondContact O-N 3.16Å
19	I	35	Very low	38	Very low	64 Å²	64	117.8 Å²	117.8	33%	0.328	62%	0.619	S	S	.	*			trans	-81.3	104.1	-177.6	-59.5	-178.2	0	0	0	109.1	N17 V21 G263	N17-I19 VanDerWaalsContact C-N 3.3Å; N17-I19 PolarHBondContact O-N 3.21Å; N17-I19 VanDerWaalsContact O-N 3.17Å; I19-V21 PolarHBondContact O-N 2.84Å; I19-G263 VanDerWaalsContact CD1-O 3.32Å; I19-G263 WeakPolarHBondContact CD1-O 3.28Å
20	N	29.4	Very low	36.3	Very low	146 Å²	146	124.5 Å²	124.5	78%	0.781	65%	0.649	S	S	*	*			trans	14.7	95.6	152.9	-60.7	-3.7	0	0	0	117.1	I18	I18-N20 PolarHBondContact O-N 3.16Å
21	V	30.2	Very low	34.9	Very low	139 Å²	139	128.7 Å²	128.7	84%	0.842	66%	0.661	S	S	*	*			trans	-120.4	136.7	136.8	-178.2	0	0	0	0	106.3	I19	I19-V21 PolarHBondContact O-N 2.84Å
22	E	26.5	Very low	33.5	Very low	194 Å²	194	133.3 Å²	133.3	91%	0.907	68%	0.678	S	S	*	*			trans	-68.2	139.9	-169.8	-56.3	175.6	149.8	0	0	112.4
23	G	24.7	Very low	32.2	Very low	69 Å²	69	132.4 Å²	132.4	71%	0.711	68%	0.68	S	S	*	*			trans	127.5	124.7	164.6	0	0	0	0	0	114.8
24	E	26.8	Very low	30.9	Very low	202 Å²	202	135.4 Å²	135.4	94%	0.944	70%	0.701	S	S	*	*			trans	77.6	122.7	168.6	-55.5	-170.9	156.3	0	0	117
25	E	23.2	Very low	29.9	Very low	188 Å²	188	141.1 Å²	141.1	88%	0.879	73%	0.731	S	S	*	*			trans	-77.8	134.9	176	-55.4	167.9	134.2	0	0	108.8
26	D	26.7	Very low	28.7	Very low	169 Å²	169	140.6 Å²	140.6	90%	0.904	73%	0.733	S	S	*	*			trans	-145.8	135.6	152.6	-120.4	-26.4	0	0	0	111.1
27	T	24.9	Very low	28	Very low	109 Å²	109	138.1 Å²	138.1	67%	0.669	74%	0.741	S	S	*	*			trans	-108	119.7	-158.4	53	0	0	0	0	113
28	H	28.1	Very low	27.5	Very low	185 Å²	185	140.6 Å²	140.6	86%	0.856	77%	0.771	S	S	*	*			trans	-167.4	91.4	152	-86	-52.2	0	0	0	108.2
29	S	26.2	Very low	27.3	Very low	90 Å²	90	142 Å²	142	63%	0.629	78%	0.775	S	S	*	*				74.7	109.9	59.7	85.7	0	0	0	0	115
30	E	25.1	Very low	27.4	Very low	160 Å²	160	141.7 Å²	141.7	75%	0.748	78%	0.782	S	S	*	*			trans	69.9	94.5	153.5	-55.7	-174.8	153.9	0	0	119.3
31	Y	28.4	Very low	27.9	Very low	234 Å²	234	140.2 Å²	140.2	92%	0.918	77%	0.774	S	S	*	*				-146.7	124	122.8	-105.2	-75.2	0	0	0	112.5
32	F	25.6	Very low	28.4	Very low	171 Å²	171	140 Å²	140	75%	0.75	77%	0.767	S	S	*	*			trans	-42	130.5	176.2	-70.2	-107.3	0	0	0	113.3
33	S	26	Very low	29.7	Very low	84 Å²	84	132.3 Å²	132.3	59%	0.587	73%	0.733	S	S	*	*				63.7	118	62.7	87	0	0	0	0	115.6
34	T	24.7	Very low	31.5	Very low	128 Å²	128	129.9 Å²	129.9	79%	0.785	70%	0.703	S	S	*	*			trans	54	125.5	160.8	58.9	0	0	0	0	119
35	L	26.6	Very low	33.1	Very low	156 Å²	156	125.7 Å²	125.7	82%	0.817	68%	0.68	S	S	*	*				-163.8	154.6	121.8	-106.3	156.7	0	0	0	113.8
36	N	26.3	Very low	35.2	Very low	141 Å²	141	117 Å²	117	75%	0.754	64%	0.639	S	S	*	*			trans	-67	152.9	-172.3	-59	-62.9	0	0	0	113.4	G38	N36-G38 PolarHBondContact O-N 2.88Å; N36-G38 VanDerWaalsContact O-N 3.1Å
37	A	26.7	Very low	37.1	Very low	114 Å²	114	112.6 Å²	112.6	94%	0.942	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	111.8	163.6	0	0	0	0	0	109.8
38	G	29.8	Very low	39.1	Very low	73 Å²	73	109.1 Å²	109.1	75%	0.753	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-173	-41.2	-178.1	0	0	0	0	0	117.5	N36	N36-G38 PolarHBondContact O-N 2.88Å; N36-G38 VanDerWaalsContact O-N 3.1Å
39	E	31.8	Very low	40.7	Very low	167 Å²	167	106.7 Å²	106.7	78%	0.78	58%	0.578	S	S	*	*			trans	-122.1	6.2	-162.5	-67.4	-173.4	134.5	0	0	116.5	D41	E39-D41 VanDerWaalsContact C-N 3.34Å; E39-D41 PolarHBondContact O-N 2.94Å
40	A	37.4	Very low	42.2	Very low	56 Å²	56	108.5 Å²	108.5	46%	0.463	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.4	-6.2	-166.9	0	0	0	0	0	117.4
41	D	41	Very low	43.9	Very low	115 Å²	115	101.4 Å²	101.4	62%	0.615	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-20.6	-169.3	-81.9	-20.4	0	0	0	115.6	E39 N43	E39-D41 VanDerWaalsContact C-N 3.34Å; E39-D41 PolarHBondContact O-N 2.94Å; D41-N43 VanDerWaalsContact C-N 3.29Å; D41-N43 PolarHBondContact O-N 3.02Å
42	L	39.1	Very low	45.5	Very low	134 Å²	134	95 Å²	95	70%	0.702	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-67.6	-25.5	-177.5	-89.4	135	0	0	0	114.1	N44	L42-N44 VanDerWaalsContact C-N 3.3Å; L42-N44 PolarHBondContact O-N 3.48Å
43	N	55	Low	47.1	Very low	34 Å²	34	92.4 Å²	92.4	18%	0.182	52%	0.523	C	S	.	.	G	3₁₀ helix	trans	-79	-9.3	-170.9	-69	-9.8	0	0	0	114.6	S5 P7 D41	S5-N43 WeakPolarHBondContact CB-OD1 3.35Å; S5-N43 PolarHBondContact O-OD1 2.96Å; S5-N43 PolarHBondContact OG-OD1 2.65Å; P7-N43 HydrophobicContact CB-CB 4.02Å; D41-N43 VanDerWaalsContact C-N 3.29Å; D41-N43 PolarHBondContact O-N 3.02Å
44	N	62.1	Low	49.1	Very low	18 Å²	18	91.4 Å²	91.4	10%	0.096	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-109.2	-8.6	-166.6	-73.7	-37.2	0	0	0	115.2	L42 I136 R137 G158	L42-N44 VanDerWaalsContact C-N 3.3Å; L42-N44 PolarHBondContact O-N 3.48Å; N44-I136 HydrophobicContact CB-CG2 4.46Å; N44-R137 PolarHBondContact OD1-NH2 2.7Å; N44-G158 PolarHBondContact OD1-O 2.61Å
45	Y	59.4	Low	51.4	Low	113 Å²	113	88.3 Å²	88.3	44%	0.443	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-108.3	125.6	-168.6	-115.5	-63.5	0	0	0	112.3	Q47 D134 I136	Y45-Q47 HydrophobicContact CD1-CG 3.41Å; Y45-Q47 VanDerWaalsContact CD1-CG 3.41Å; Y45-Q47 HydrophobicContact CE1-CG 3.96Å; Y45-Q47 VanDerWaalsContact CE1-NE2 3.27Å; Y45-Q47 HydrophobicContact CG-CG 4.11Å; Y45-D134 WeakPolarHBondContact CE1-O 3.39Å; Y45-I136 HydrophobicContact CD1-CD1 4.28Å; Y45-I136 HydrophobicContact CD1-CG1 3.69Å; Y45-I136 HydrophobicContact CD2-CD1 4.28Å; Y45-I136 HydrophobicContact CD2-CG1 4.29Å; Y45-I136 HydrophobicContact CE1-CD1 3.69Å; Y45-I136 HydrophobicContact CE1-CG1 3.49Å; Y45-I136 VanDerWaalsContact CE1-CG1 3.49Å; Y45-I136 HydrophobicContact CE2-CD1 3.67Å; Y45-I136 HydrophobicContact CE2-CG1 4.11Å; Y45-I136 HydrophobicContact CG-CG1 4.12Å
46	V	68.9	Low	53.7	Low	6 Å²	6	86.1 Å²	86.1	4%	0.036	48%	0.475	C	S	.	.			trans	-107.8	99.4	169.8	-172.2	0	0	0	0	109.1	W98 L103 I114 I120 G135	V46-W98 HydrophobicContact CG1-CE3 4.47Å; V46-W98 HydrophobicContact CG1-CH2 3.25Å; V46-W98 HydrophobicContact CG1-CZ2 3.45Å; V46-W98 VanDerWaalsContact CG1-CZ2 3.45Å; V46-W98 HydrophobicContact CG1-CZ3 3.79Å; V46-L103 HydrophobicContact CB-CD2 4.38Å; V46-L103 HydrophobicContact CG1-CD2 3.77Å; V46-L103 HydrophobicContact CG2-CD2 3.99Å; V46-I114 HydrophobicContact CB-CD1 4.04Å; V46-I114 HydrophobicContact CG1-CD1 3.46Å; V46-I114 VanDerWaalsContact CG1-CD1 3.46Å; V46-I120 HydrophobicContact CG2-CD1 3.95Å; V46-I120 HydrophobicContact CG2-CG1 4.31Å; V46-I120 HydrophobicContact CG2-CG2 4.17Å; V46-G135 WeakPolarHBondContact CB-O 3.48Å; V46-G135 PolarHBondContact N-O 3.16Å; V46-G135 WeakPolarHBondContact O-CA 3.49Å
47	Q	65.4	Low	56.2	Low	76 Å²	76	85.9 Å²	85.9	36%	0.355	46%	0.464	S	S	.	.			trans	-108.5	134.7	-172.4	-67.3	178	-44.1	0	0	112.7	Y45 F49 W98	Y45-Q47 HydrophobicContact CD1-CG 3.41Å; Y45-Q47 VanDerWaalsContact CD1-CG 3.41Å; Y45-Q47 HydrophobicContact CE1-CG 3.96Å; Y45-Q47 VanDerWaalsContact CE1-NE2 3.27Å; Y45-Q47 HydrophobicContact CG-CG 4.11Å; Q47-F49 HydrophobicContact CB-CD2 3.72Å; Q47-F49 HydrophobicContact CB-CE2 3.43Å; Q47-F49 VanDerWaalsContact CB-CE2 3.43Å; Q47-F49 HydrophobicContact CB-CG 4.45Å; Q47-F49 HydrophobicContact CB-CZ 3.93Å; Q47-F49 HydrophobicContact CG-CE2 4.18Å; Q47-F49 HydrophobicContact CG-CZ 4.33Å; Q47-F49 PolarHBondContact O-N 3.33Å; Q47-W98 PolarHBondContact O-NE1 2.81Å; Q47-W98 VanDerWaalsContact O-NE1 3.09Å
48	L	66.9	Low	58.7	Low	37 Å²	37	84 Å²	84	19%	0.194	43%	0.434	C	S	.	.			trans	-96	78.3	175.4	-68.2	167.2	0	0	0	109	L51 L90 F96 W98 F109 N112 I114	L48-L51 HydrophobicContact CB-CD1 3.85Å; L48-L51 HydrophobicContact CD2-CD1 3.54Å; L48-L51 HydrophobicContact CG-CD1 4.27Å; L48-L90 HydrophobicContact CD1-CD1 4.18Å; L48-L90 HydrophobicContact CD2-CD1 4.42Å; L48-F96 HydrophobicContact CD2-CD1 4.12Å; L48-F96 HydrophobicContact CD2-CD2 3.64Å; L48-F96 HydrophobicContact CD2-CE1 4Å; L48-F96 HydrophobicContact CD2-CE2 3.53Å; L48-F96 HydrophobicContact CD2-CG 3.97Å; L48-F96 HydrophobicContact CD2-CZ 3.72Å; L48-W98 HydrophobicContact CD2-CH2 4.14Å; L48-W98 HydrophobicContact CD2-CZ2 3.49Å; L48-W98 VanDerWaalsContact CD2-CZ2 3.49Å; L48-W98 HydrophobicContact CG-CZ2 4.1Å; L48-F109 HydrophobicContact CD1-CD1 4.09Å; L48-F109 HydrophobicContact CD1-CE1 4.02Å; L48-N112 WeakPolarHBondContact CD1-O 3.23Å; L48-I114 HydrophobicContact CD1-CD1 4.13Å; L48-I114 HydrophobicContact CD1-CG1 3.77Å; L48-I114 HydrophobicContact CG-CD1 4.13Å; L48-I114 HydrophobicContact CG-CG1 4.33Å
49	F	61.9	Low	60.8	Low	133 Å²	133	82.4 Å²	82.4	58%	0.583	41%	0.411	S	S	*	.			trans	-82.8	130	-177.7	-75.3	-66.2	0	0	0	113.4	Q47 L51	Q47-F49 HydrophobicContact CB-CD2 3.72Å; Q47-F49 HydrophobicContact CB-CE2 3.43Å; Q47-F49 VanDerWaalsContact CB-CE2 3.43Å; Q47-F49 HydrophobicContact CB-CG 4.45Å; Q47-F49 HydrophobicContact CB-CZ 3.93Å; Q47-F49 HydrophobicContact CG-CE2 4.18Å; Q47-F49 HydrophobicContact CG-CZ 4.33Å; Q47-F49 PolarHBondContact O-N 3.33Å; F49-L51 WeakPolarHBondContact O-CD2 3.42Å; F49-L51 WeakPolarHBondContact O-CG 3.37Å; F49-L51 PolarHBondContact O-N 3.22Å
50	D	58.6	Low	62.6	Low	128 Å²	128	78.2 Å²	78.2	68%	0.684	40%	0.4	S	S	*	.	S	Bend	trans	39.7	44.1	164.6	-66.6	-17.5	0	0	0	115.7	P53 Q54	D50-P53 WeakPolarHBondContact O-CD 3.27Å; D50-Q54 PolarHBondContact O-NE2 3.17Å
51	L	61.1	Low	63.8	Low	11 Å²	11	82.1 Å²	82.1	6%	0.058	40%	0.403	C	S	.	.			trans	-76.4	-27.7	-174.5	-65.4	177	0	0	0	113.3	L48 F49 Q54 Y75 F96	L48-L51 HydrophobicContact CB-CD1 3.85Å; L48-L51 HydrophobicContact CD2-CD1 3.54Å; L48-L51 HydrophobicContact CG-CD1 4.27Å; F49-L51 WeakPolarHBondContact O-CD2 3.42Å; F49-L51 WeakPolarHBondContact O-CG 3.37Å; F49-L51 PolarHBondContact O-N 3.22Å; L51-Q54 PolarHBondContact O-N 2.84Å; L51-Y75 HydrophobicContact CB-CD1 3.98Å; L51-Y75 HydrophobicContact CB-CE1 3.62Å; L51-Y75 HydrophobicContact CD2-CD1 4.39Å; L51-Y75 HydrophobicContact CD2-CG 4.39Å; L51-Y75 HydrophobicContact CG-CE1 4.49Å; L51-Y75 VanDerWaalsContact O-CD1 3.23Å; L51-Y75 WeakPolarHBondContact O-CD1 3.34Å; L51-Y75 WeakPolarHBondContact O-CE1 3.37Å; L51-F96 HydrophobicContact CD1-CE2 3.55Å; L51-F96 HydrophobicContact CD1-CZ 3.49Å; L51-F96 VanDerWaalsContact CD1-CZ 3.49Å; L51-F96 HydrophobicContact CD2-CZ 3.99Å; L51-F96 HydrophobicContact CG-CZ 4.41Å
52	Y	61.7	Low	64.5	Low	99 Å²	99	82.6 Å²	82.6	39%	0.388	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-64.8	-45.8	-175.2	-80	-89.6	0	0	0	115.3	Q54 I55 D88 M89 N112	Y52-Q54 PolarHBondContact O-N 3.36Å; Y52-I55 HydrophobicContact CD1-CD1 4.43Å; Y52-D88 PolarHBondContact OH-O 2.85Å; Y52-M89 WeakPolarHBondContact OH-CA 3.46Å; Y52-M89 WeakPolarHBondContact OH-CG 3.5Å; Y52-N112 WeakPolarHBondContact CE2-ND2 3.36Å; Y52-N112 PolarHBondContact OH-ND2 2.99Å; Y52-N112 PolarHBondContact OH-OD1 3.4Å
53	P	59.8	Low	65.1	Low	118 Å²	118	78.6 Å²	78.6	77%	0.766	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-62	-8.8	175.3	-23.6	35.1	0	0	0	114.2	D50	D50-P53 WeakPolarHBondContact O-CD 3.27Å
54	Q	67.4	Low	64.6	Low	63 Å²	63	87.7 Å²	87.7	29%	0.294	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-110.4	-1.7	-168	-56.4	-172.4	47.4	0	0	114.2	D50 L51 Y52 I56 Y75 G76 N77	D50-Q54 PolarHBondContact O-NE2 3.17Å; L51-Q54 PolarHBondContact O-N 2.84Å; Y52-Q54 PolarHBondContact O-N 3.36Å; Q54-I56 PolarHBondContact O-N 3.42Å; Q54-Y75 CarbonylContact O-C 3.5Å; Q54-Y75 WeakPolarHBondContact O-CA 3.16Å; Q54-G76 WeakPolarHBondContact O-CA 3.35Å; Q54-G76 PolarHBondContact O-N 3.1Å; Q54-N77 PolarHBondContact OE1-ND2 2.61Å
55	I	73.5	Confident	63.8	Low	62 Å²	62	89.3 Å²	89.3	32%	0.318	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	111.2	-174.6	-61.5	170.2	0	0	0	111.2	Y52 K58 I73 Y75	Y52-I55 HydrophobicContact CD1-CD1 4.43Å; I55-K58 HydrophobicContact CG2-CB 4.27Å; I55-I73 HydrophobicContact CG1-CG2 4.17Å; I55-I73 HydrophobicContact CG2-CG2 3.98Å; I55-Y75 HydrophobicContact CD1-CE1 4.29Å; I55-Y75 HydrophobicContact CG1-CD1 3.76Å; I55-Y75 HydrophobicContact CG1-CE1 3.56Å
56	I	74.4	Confident	63.4	Low	111 Å²	111	94.4 Å²	94.4	57%	0.569	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	-46.1	171.9	-63.6	177.1	0	0	0	109.3	Q54 E74 Y75	Q54-I56 PolarHBondContact O-N 3.42Å; I56-E74 PolarHBondContact N-O 3.37Å; I56-Y75 WeakPolarHBondContact CD1-O 3.27Å
57	R	77.9	Confident	62.7	Low	136 Å²	136	100 Å²	100	51%	0.513	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	137.9	-169.4	-174	-178.1	177.9	177.5	-0.1	110.7	C59 I73 E74	R57-C59 PolarHBondContact NE-SG 2.9Å; R57-I73 WeakPolarHBondContact O-CA 3.48Å; R57-E74 HydrophobicContact CB-CB 4Å; R57-E74 PolarHBondContact N-O 3.1Å; R57-E74 VanDerWaalsContact N-O 3.16Å; R57-E74 PolarHBondContact O-N 3.29Å
58	K	79.1	Confident	62.6	Low	75 Å²	75	98.3 Å²	98.3	33%	0.326	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	114.8	172.3	-179.7	167.8	-179.6	172.6	0	108.6	I55 E72 I73 D88	I55-K58 HydrophobicContact CG2-CB 4.27Å; K58-E72 WeakPolarHBondContact CA-O 3.32Å; K58-I73 HydrophobicContact CD-CD1 4.49Å; K58-I73 HydrophobicContact CG-CG1 4.2Å; K58-D88 IonicContact NZ-OD1 2.65Å; K58-D88 PolarHBondContact NZ-OD1 3.29Å
59	C	75	Confident	62.8	Low	38 Å²	38	101.2 Å²	101.2	26%	0.257	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	107.8	178.9	-72.6	0	0	0	0	110.1	R57 E72	R57-C59 PolarHBondContact NE-SG 2.9Å; C59-E72 HydrophobicContact CB-CB 4.43Å; C59-E72 PolarHBondContact N-O 2.8Å; C59-E72 PolarHBondContact O-N 2.86Å
60	S	69	Low	63.5	Low	79 Å²	79	96.9 Å²	96.9	55%	0.552	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.5	171.8	-53.7	0	0	0	0	110.1	N71	S60-N71 WeakPolarHBondContact CB-OD1 3.49Å; S60-N71 PolarHBondContact OG-OD1 3.47Å
61	R	63.6	Low	64.8	Low	138 Å²	138	91.3 Å²	91.3	52%	0.521	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.4	175.5	-65.3	-171.5	-174.7	171	4.4	110.6	S63 I70 E72	R61-S63 VanDerWaalsContact C-N 3.33Å; R61-S63 PolarHBondContact O-N 3.05Å; R61-I70 PolarHBondContact N-O 3.09Å; R61-I70 PolarHBondContact O-N 2.91Å; R61-I70 VanDerWaalsContact O-O 3.06Å; R61-E72 WeakPolarHBondContact CD-OE1 3.29Å; R61-E72 IonicContact CZ-OE1 3.46Å; R61-E72 IonicContact CZ-OE2 2.8Å; R61-E72 IonicContact NE-OE1 3.82Å; R61-E72 PolarHBondContact NE-OE1 2.81Å; R61-E72 IonicContact NE-OE2 3.98Å; R61-E72 PolarHBondContact NE-OE2 3.3Å; R61-E72 VanDerWaalsContact NE-OE2 3.09Å; R61-E72 IonicContact NH1-OE1 2.7Å; R61-E72 PolarHBondContact NH1-OE1 2.62Å; R61-E72 IonicContact NH1-OE2 3.23Å; R61-E72 IonicContact NH2-OE1 3.02Å; R61-E72 PolarHBondContact NH2-OE1 2.97Å; R61-E72 IonicContact NH2-OE2 3.58Å; R61-E72 PolarHBondContact NH2-OE2 2.94Å
62	V	55.6	Low	66.1	Low	126 Å²	126	92.9 Å²	92.9	76%	0.764	47%	0.474	S	S	*	.			trans	-85.7	80.3	166.4	-173.9	0	0	0	0	107.9
63	S	51.1	Low	67.5	Low	49 Å²	49	88.4 Å²	88.4	34%	0.343	46%	0.457	S	S	.	.			trans	-71.2	142.4	171.4	69.6	0	0	0	0	109.7	R61 S65	R61-S63 VanDerWaalsContact C-N 3.33Å; R61-S63 PolarHBondContact O-N 3.05Å; S63-S65 PolarHBondContact O-N 2.88Å
64	K	44.4	Very low	68.8	Low	226 Å²	226	86.4 Å²	86.4	98%	0.983	44%	0.437	S	S	*	.	S	Bend	trans	-76.4	60.2	175.5	-77.8	-175.7	176.3	176.3	0	111.5
65	S	45.8	Very low	69.6	Low	51 Å²	51	83.6 Å²	83.6	36%	0.357	42%	0.424	S	S	.	.	S	Bend	trans	-101.9	157.3	161.4	76.7	0	0	0	0	109.6	S63 L67	S63-S65 PolarHBondContact O-N 2.88Å; S65-L67 PolarHBondContact O-N 3.34Å; S65-L67 PolarHBondContact OG-N 3.31Å
66	K	51.2	Low	70	Confident	221 Å²	221	82.9 Å²	82.9	96%	0.961	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	6.7	175.6	-75.9	-178.1	174.6	177.3	0	113.8
67	L	52.7	Low	70.4	Confident	124 Å²	124	80.4 Å²	80.4	65%	0.649	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-4.6	-160	-83.7	138.5	0	0	0	116.1	S65 K84	S65-L67 PolarHBondContact O-N 3.34Å; S65-L67 PolarHBondContact OG-N 3.31Å; L67-K84 WeakPolarHBondContact O-CE 3.35Å; L67-K84 PolarHBondContact O-NZ 3.34Å
68	G	63.9	Low	70.8	Confident	40 Å²	40	75.6 Å²	75.6	41%	0.412	41%	0.412	S	S	.	.			trans	112.5	-163.9	170.9	0	0	0	0	0	115.3
69	I	70.3	Confident	71.3	Confident	97 Å²	97	72.4 Å²	72.4	50%	0.497	40%	0.399	S	S	.	.			trans	-73.9	135.2	179.4	-57.7	173.9	0	0	0	109.7
70	I	77.3	Confident	72.1	Confident	43 Å²	43	73.4 Å²	73.4	22%	0.221	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.7	172.1	-58.6	178.9	0	0	0	107.8	R61 E82	R61-I70 PolarHBondContact N-O 3.09Å; R61-I70 PolarHBondContact O-N 2.91Å; R61-I70 VanDerWaalsContact O-O 3.06Å; I70-E82 HydrophobicContact CG2-CG 3.59Å
71	N	85.7	Confident	73.2	Confident	11 Å²	11	69.8 Å²	69.8	6%	0.059	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.7	178.9	-56.6	-93.2	0	0	0	109.1	S60 E82 G83 V85	S60-N71 WeakPolarHBondContact CB-OD1 3.49Å; S60-N71 PolarHBondContact OG-OD1 3.47Å; N71-E82 CarbonylContact O-C 3.56Å; N71-E82 WeakPolarHBondContact O-CA 3.12Å; N71-G83 PolarHBondContact N-O 3.36Å; N71-G83 PolarHBondContact ND2-O 2.84Å; N71-G83 PolarHBondContact O-N 2.72Å; N71-V85 HydrophobicContact CB-CG2 3.79Å
72	E	89.4	Confident	74.6	Confident	43 Å²	43	68 Å²	68	20%	0.201	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.8	166.2	-68.8	162.2	-163.4	0	0	107.9	K58 C59 R61 F81 E82	K58-E72 WeakPolarHBondContact CA-O 3.32Å; C59-E72 HydrophobicContact CB-CB 4.43Å; C59-E72 PolarHBondContact N-O 2.8Å; C59-E72 PolarHBondContact O-N 2.86Å; R61-E72 WeakPolarHBondContact CD-OE1 3.29Å; R61-E72 IonicContact CZ-OE1 3.46Å; R61-E72 IonicContact CZ-OE2 2.8Å; R61-E72 IonicContact NE-OE1 3.82Å; R61-E72 PolarHBondContact NE-OE1 2.81Å; R61-E72 IonicContact NE-OE2 3.98Å; R61-E72 PolarHBondContact NE-OE2 3.3Å; R61-E72 VanDerWaalsContact NE-OE2 3.09Å; R61-E72 IonicContact NH1-OE1 2.7Å; R61-E72 PolarHBondContact NH1-OE1 2.62Å; R61-E72 IonicContact NH1-OE2 3.23Å; R61-E72 IonicContact NH2-OE1 3.02Å; R61-E72 PolarHBondContact NH2-OE1 2.97Å; R61-E72 IonicContact NH2-OE2 3.58Å; R61-E72 PolarHBondContact NH2-OE2 2.94Å; E72-F81 CarbonylContact C-O 3.48Å; E72-F81 WeakPolarHBondContact CA-O 3.46Å; E72-E82 HydrophobicContact CG-CG 4.16Å
73	I	89.3	Confident	76.3	Confident	6 Å²	6	62.2 Å²	62.2	3%	0.031	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.6	177.5	-51.6	179.6	0	0	0	108.9	I55 R57 K58 Y75 T80 F81 V85 L90	I55-I73 HydrophobicContact CG1-CG2 4.17Å; I55-I73 HydrophobicContact CG2-CG2 3.98Å; R57-I73 WeakPolarHBondContact O-CA 3.48Å; K58-I73 HydrophobicContact CD-CD1 4.49Å; K58-I73 HydrophobicContact CG-CG1 4.2Å; I73-Y75 HydrophobicContact CB-CE2 4.25Å; I73-Y75 HydrophobicContact CG2-CD1 4.33Å; I73-Y75 HydrophobicContact CG2-CD2 4.31Å; I73-Y75 HydrophobicContact CG2-CE1 3.85Å; I73-Y75 HydrophobicContact CG2-CE2 3.82Å; I73-T80 CarbonylContact O-C 3.54Å; I73-T80 VanDerWaalsContact O-CA 3.32Å; I73-T80 WeakPolarHBondContact O-CA 3.47Å; I73-F81 HydrophobicContact CB-CB 4.32Å; I73-F81 HydrophobicContact CD1-CD1 4.07Å; I73-F81 HydrophobicContact CG1-CD1 4.22Å; I73-F81 PolarHBondContact N-O 3.04Å; I73-F81 PolarHBondContact O-N 3.22Å; I73-V85 HydrophobicContact CD1-CG2 4.09Å; I73-L90 HydrophobicContact CD1-CD2 4.15Å
74	E	87.4	Confident	78.1	Confident	76 Å²	76	63.3 Å²	63.3	36%	0.355	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.1	176.1	-168.1	179.4	178.6	0	0	108.2	I56 R57 T80	I56-E74 PolarHBondContact N-O 3.37Å; R57-E74 HydrophobicContact CB-CB 4Å; R57-E74 PolarHBondContact N-O 3.1Å; R57-E74 VanDerWaalsContact N-O 3.16Å; R57-E74 PolarHBondContact O-N 3.29Å; E74-T80 HydrophobicContact CG-CG2 4.41Å
75	Y	85.8	Confident	80.1	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	160.1	-174.7	-62	-82.4	0	0	0	112.2	L51 Q54 I55 I56 I73 N77 G78 N79 F81 F96	L51-Y75 HydrophobicContact CB-CD1 3.98Å; L51-Y75 HydrophobicContact CB-CE1 3.62Å; L51-Y75 HydrophobicContact CD2-CD1 4.39Å; L51-Y75 HydrophobicContact CD2-CG 4.39Å; L51-Y75 HydrophobicContact CG-CE1 4.49Å; L51-Y75 VanDerWaalsContact O-CD1 3.23Å; L51-Y75 WeakPolarHBondContact O-CD1 3.34Å; L51-Y75 WeakPolarHBondContact O-CE1 3.37Å; Q54-Y75 CarbonylContact O-C 3.5Å; Q54-Y75 WeakPolarHBondContact O-CA 3.16Å; I55-Y75 HydrophobicContact CD1-CE1 4.29Å; I55-Y75 HydrophobicContact CG1-CD1 3.76Å; I55-Y75 HydrophobicContact CG1-CE1 3.56Å; I56-Y75 WeakPolarHBondContact CD1-O 3.27Å; I73-Y75 HydrophobicContact CB-CE2 4.25Å; I73-Y75 HydrophobicContact CG2-CD1 4.33Å; I73-Y75 HydrophobicContact CG2-CD2 4.31Å; I73-Y75 HydrophobicContact CG2-CE1 3.85Å; I73-Y75 HydrophobicContact CG2-CE2 3.82Å; Y75-N77 VanDerWaalsContact CB-OD1 3.31Å; Y75-N77 WeakPolarHBondContact CB-OD1 3.28Å; Y75-N77 PolarHBondContact O-N 3.18Å; Y75-G78 WeakPolarHBondContact O-CA 3.38Å; Y75-G78 PolarHBondContact O-N 2.68Å; Y75-N79 HydrophobicContact CD2-CB 3.97Å; Y75-N79 WeakPolarHBondContact CD2-O 3.32Å; Y75-N79 HydrophobicContact CG-CB 4.46Å; Y75-N79 PolarHBondContact N-O 3.24Å; Y75-F81 HydrophobicContact CE2-CB 4.19Å; Y75-F96 HydrophobicContact CD2-CE2 4.27Å; Y75-F96 HydrophobicContact CD2-CZ 4.15Å; Y75-F96 AromaticContact CE2-CE2 3.54Å; Y75-F96 HydrophobicContact CE2-CE2 3.54Å; Y75-F96 AromaticContact CE2-CZ 3.87Å; Y75-F96 HydrophobicContact CE2-CZ 3.87Å
76	G	81.7	Confident	82	Confident	47 Å²	47	53.6 Å²	53.6	49%	0.485	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.9	-172.5	0	0	0	0	0	114.1	Q54 G78	Q54-G76 WeakPolarHBondContact O-CA 3.35Å; Q54-G76 PolarHBondContact O-N 3.1Å; G76-G78 VanDerWaalsContact C-N 3.28Å
77	N	82	Confident	83.6	Confident	59 Å²	59	50.2 Å²	50.2	32%	0.316	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	13.1	173.7	60.9	2.9	0	0	0	113.4	Q54 Y75 N79 S99	Q54-N77 PolarHBondContact OE1-ND2 2.61Å; Y75-N77 VanDerWaalsContact CB-OD1 3.31Å; Y75-N77 WeakPolarHBondContact CB-OD1 3.28Å; Y75-N77 PolarHBondContact O-N 3.18Å; N77-N79 VanDerWaalsContact C-N 3.25Å; N77-N79 PolarHBondContact ND2-ND2 2.87Å; N77-N79 PolarHBondContact O-N 2.84Å; N77-N79 WeakPolarHBondContact OD1-CB 3.41Å; N77-N79 VanDerWaalsContact OD1-CG 3.25Å; N77-N79 PolarHBondContact OD1-N 3.03Å; N77-S99 PolarHBondContact O-OG 2.88Å
78	G	86.6	Confident	85	Confident	34 Å²	34	49.3 Å²	49.3	35%	0.351	29%	0.29	S	S	.	.	S	Bend	trans	77	-0.9	-179.7	0	0	0	0	0	115.3	Y75 G76 S99	Y75-G78 WeakPolarHBondContact O-CA 3.38Å; Y75-G78 PolarHBondContact O-N 2.68Å; G76-G78 VanDerWaalsContact C-N 3.28Å; G78-S99 WeakPolarHBondContact O-CB 3.37Å
79	N	89.4	Confident	86.1	Confident	8 Å²	8	50 Å²	50	4%	0.043	28%	0.283	C	S	.	.			trans	-64.1	150.3	175.4	-64.5	-6	0	0	0	110.6	Y75 N77 F96 H97 W98 S99	Y75-N79 HydrophobicContact CD2-CB 3.97Å; Y75-N79 WeakPolarHBondContact CD2-O 3.32Å; Y75-N79 HydrophobicContact CG-CB 4.46Å; Y75-N79 PolarHBondContact N-O 3.24Å; N77-N79 VanDerWaalsContact C-N 3.25Å; N77-N79 PolarHBondContact ND2-ND2 2.87Å; N77-N79 PolarHBondContact O-N 2.84Å; N77-N79 WeakPolarHBondContact OD1-CB 3.41Å; N77-N79 VanDerWaalsContact OD1-CG 3.25Å; N77-N79 PolarHBondContact OD1-N 3.03Å; N79-F96 HydrophobicContact CB-CE1 3.82Å; N79-F96 HydrophobicContact CB-CZ 3.88Å; N79-H97 VanDerWaalsContact CA-O 3.28Å; N79-H97 WeakPolarHBondContact CA-O 3.49Å; N79-H97 WeakPolarHBondContact CB-O 3.36Å; N79-W98 WeakPolarHBondContact OD1-CA 3.48Å; N79-S99 PolarHBondContact OD1-N 3.35Å
80	T	91.7	Very high	87	Confident	59 Å²	59	45.5 Å²	45.5	36%	0.362	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.4	178.6	54.4	0	0	0	0	111.7	I73 E74 F96 H97	I73-T80 CarbonylContact O-C 3.54Å; I73-T80 VanDerWaalsContact O-CA 3.32Å; I73-T80 WeakPolarHBondContact O-CA 3.47Å; E74-T80 HydrophobicContact CG-CG2 4.41Å; T80-F96 CarbonylContact O-C 3.51Å; T80-F96 WeakPolarHBondContact O-CA 3.43Å; T80-H97 PolarHBondContact N-O 2.93Å; T80-H97 PolarHBondContact O-N 2.93Å
81	F	91.9	Very high	87.7	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.4	172.2	171.1	-94.9	0	0	0	110.8	E72 I73 Y75 G83 K84 V85 L90 E95 F96 F109	E72-F81 CarbonylContact C-O 3.48Å; E72-F81 WeakPolarHBondContact CA-O 3.46Å; I73-F81 HydrophobicContact CB-CB 4.32Å; I73-F81 HydrophobicContact CD1-CD1 4.07Å; I73-F81 HydrophobicContact CG1-CD1 4.22Å; I73-F81 PolarHBondContact N-O 3.04Å; I73-F81 PolarHBondContact O-N 3.22Å; Y75-F81 HydrophobicContact CE2-CB 4.19Å; F81-G83 VanDerWaalsContact CE1-N 3.33Å; F81-G83 VanDerWaalsContact CZ-CA 3.49Å; F81-K84 WeakPolarHBondContact CZ-O 3.36Å; F81-V85 HydrophobicContact CE1-CG2 3.83Å; F81-L90 HydrophobicContact CD1-CD2 3.65Å; F81-L90 HydrophobicContact CD2-CD1 4.02Å; F81-L90 HydrophobicContact CD2-CD2 4.02Å; F81-L90 HydrophobicContact CE1-CD2 3.64Å; F81-L90 HydrophobicContact CE2-CB 4.36Å; F81-L90 HydrophobicContact CE2-CD1 4.19Å; F81-L90 HydrophobicContact CE2-CD2 4.01Å; F81-L90 HydrophobicContact CE2-CG 4.41Å; F81-L90 HydrophobicContact CG-CD1 4.43Å; F81-L90 HydrophobicContact CG-CD2 3.83Å; F81-L90 HydrophobicContact CZ-CB 4.33Å; F81-L90 HydrophobicContact CZ-CD2 3.82Å; F81-E95 CarbonylContact C-O 3.52Å; F81-E95 WeakPolarHBondContact CA-O 3.44Å; F81-E95 WeakPolarHBondContact CD2-O 2.89Å; F81-F96 HydrophobicContact CB-CD2 3.77Å; F81-F96 HydrophobicContact CB-CE2 4.17Å; F81-F96 HydrophobicContact CD2-CB 4.23Å; F81-F96 AromaticContact CD2-CD2 3.89Å; F81-F96 HydrophobicContact CD2-CD2 3.89Å; F81-F96 HydrophobicContact CG-CD2 4.26Å; F81-F109 HydrophobicContact CD2-CE2 4.49Å; F81-F109 HydrophobicContact CD2-CZ 4.16Å; F81-F109 HydrophobicContact CE2-CD2 4.07Å; F81-F109 HydrophobicContact CE2-CE1 4.25Å; F81-F109 AromaticContact CE2-CE2 3.76Å; F81-F109 HydrophobicContact CE2-CE2 3.76Å; F81-F109 HydrophobicContact CE2-CG 4.47Å; F81-F109 AromaticContact CE2-CZ 3.84Å; F81-F109 HydrophobicContact CE2-CZ 3.84Å
82	E	92.6	Very high	88	Confident	100 Å²	100	47.6 Å²	47.6	47%	0.467	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	113.6	167.3	-174.2	176.7	161.5	0	0	109.8	I70 N71 E72 G94 E95	I70-E82 HydrophobicContact CG2-CG 3.59Å; N71-E82 CarbonylContact O-C 3.56Å; N71-E82 WeakPolarHBondContact O-CA 3.12Å; E72-E82 HydrophobicContact CG-CG 4.16Å; E82-G94 CarbonylContact O-C 3.5Å; E82-G94 VanDerWaalsContact O-CA 3.25Å; E82-G94 WeakPolarHBondContact O-CA 3.39Å; E82-E95 PolarHBondContact N-O 2.93Å; E82-E95 PolarHBondContact O-N 2.93Å
83	G	91.5	Very high	88.2	Confident	4 Å²	4	50.4 Å²	50.4	4%	0.041	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170	-165.2	-179.8	0	0	0	0	0	116.4	N71 F81	N71-G83 PolarHBondContact N-O 3.36Å; N71-G83 PolarHBondContact ND2-O 2.84Å; N71-G83 PolarHBondContact O-N 2.72Å; F81-G83 VanDerWaalsContact CE1-N 3.33Å; F81-G83 VanDerWaalsContact CZ-CA 3.49Å
84	K	89.9	Confident	88.4	Confident	73 Å²	73	50.3 Å²	50.3	32%	0.317	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	143.2	179.6	-73.5	177.1	178.4	-176.9	0	111.7	L67 F81 H91 H93	L67-K84 WeakPolarHBondContact O-CE 3.35Å; L67-K84 PolarHBondContact O-NZ 3.34Å; F81-K84 WeakPolarHBondContact CZ-O 3.36Å; K84-H91 CarbonylContact C-O 3.48Å; K84-H91 VanDerWaalsContact C-O 3.24Å; K84-H91 WeakPolarHBondContact CB-O 3.44Å; K84-H91 PolarHBondContact O-N 2.96Å; K84-H91 VanDerWaalsContact O-N 3.14Å; K84-H91 VanDerWaalsContact O-O 3.06Å; K84-H93 PolarHBondContact N-O 2.85Å; K84-H93 VanDerWaalsContact N-O 3.1Å
85	V	86.4	Confident	88.7	Confident	33 Å²	33	50.4 Å²	50.4	20%	0.2	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	132.2	-179.1	-179.2	0	0	0	0	108.3	N71 I73 F81 D88 M89 L90	N71-V85 HydrophobicContact CB-CG2 3.79Å; I73-V85 HydrophobicContact CD1-CG2 4.09Å; F81-V85 HydrophobicContact CE1-CG2 3.83Å; V85-D88 VanDerWaalsContact CG1-C 3.42Å; V85-M89 CarbonylContact C-O 3.43Å; V85-M89 VanDerWaalsContact CA-O 3.24Å; V85-M89 WeakPolarHBondContact CA-O 3.41Å; V85-M89 WeakPolarHBondContact CG1-O 3.45Å; V85-L90 HydrophobicContact CG2-CD2 4.43Å
86	A	86.1	Confident	89.1	Confident	40 Å²	40	50.2 Å²	50.2	33%	0.331	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.6	177.9	0	0	0	0	0	109.8	D88 M89 H91	A86-D88 PolarHBondContact O-N 2.79Å; A86-M89 PolarHBondContact N-O 2.67Å; A86-M89 WeakPolarHBondContact O-CA 3.38Å; A86-M89 WeakPolarHBondContact O-CB 3.35Å; A86-M89 PolarHBondContact O-N 2.74Å; A86-H91 HydrophobicContact CB-CB 3.87Å
87	N	84.4	Confident	89.6	Confident	149 Å²	149	50.8 Å²	50.8	80%	0.797	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	45	-174	-56.4	-23.6	0	0	0	112.3	M89	N87-M89 HydrophobicContact CB-CE 4.4Å; N87-M89 WeakPolarHBondContact O-CG 3.24Å; N87-M89 PolarHBondContact O-N 2.98Å
88	D	81.8	Confident	90	Very high	106 Å²	106	49 Å²	49	57%	0.567	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	-1.1	-170.4	-70.1	-59.5	0	0	0	117.1	Y52 K58 V85 A86	Y52-D88 PolarHBondContact OH-O 2.85Å; K58-D88 IonicContact NZ-OD1 2.65Å; K58-D88 PolarHBondContact NZ-OD1 3.29Å; V85-D88 VanDerWaalsContact CG1-C 3.42Å; A86-D88 PolarHBondContact O-N 2.79Å
89	M	86.9	Confident	90	Very high	54 Å²	54	50 Å²	50	27%	0.266	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	142.6	-179.8	-54.3	-170.7	-81.8	0	0	115.4	Y52 V85 A86 N87 H91 E111 N112	Y52-M89 WeakPolarHBondContact OH-CA 3.46Å; Y52-M89 WeakPolarHBondContact OH-CG 3.5Å; V85-M89 CarbonylContact C-O 3.43Å; V85-M89 VanDerWaalsContact CA-O 3.24Å; V85-M89 WeakPolarHBondContact CA-O 3.41Å; V85-M89 WeakPolarHBondContact CG1-O 3.45Å; A86-M89 PolarHBondContact N-O 2.67Å; A86-M89 WeakPolarHBondContact O-CA 3.38Å; A86-M89 WeakPolarHBondContact O-CB 3.35Å; A86-M89 PolarHBondContact O-N 2.74Å; N87-M89 HydrophobicContact CB-CE 4.4Å; N87-M89 WeakPolarHBondContact O-CG 3.24Å; N87-M89 PolarHBondContact O-N 2.98Å; M89-H91 PolarHBondContact O-N 3.09Å; M89-E111 HydrophobicContact CE-CB 4.04Å; M89-E111 HydrophobicContact CE-CG 3.79Å; M89-E111 HydrophobicContact SD-CB 3.91Å; M89-E111 HydrophobicContact SD-CG 4.35Å; M89-N112 WeakPolarHBondContact CA-OD1 3.24Å; M89-N112 WeakPolarHBondContact CB-ND2 2.93Å; M89-N112 VanDerWaalsContact CG-ND2 3.27Å; M89-N112 WeakPolarHBondContact CG-ND2 3.44Å; M89-N112 PolarHBondContact SD-ND2 2.98Å
90	L	90.1	Very high	89.8	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	120.4	171.5	-48.9	-173.2	0	0	0	108.1	L48 I73 F81 V85 F96 F109 E111 N112	L48-L90 HydrophobicContact CD1-CD1 4.18Å; L48-L90 HydrophobicContact CD2-CD1 4.42Å; I73-L90 HydrophobicContact CD1-CD2 4.15Å; F81-L90 HydrophobicContact CD1-CD2 3.65Å; F81-L90 HydrophobicContact CD2-CD1 4.02Å; F81-L90 HydrophobicContact CD2-CD2 4.02Å; F81-L90 HydrophobicContact CE1-CD2 3.64Å; F81-L90 HydrophobicContact CE2-CB 4.36Å; F81-L90 HydrophobicContact CE2-CD1 4.19Å; F81-L90 HydrophobicContact CE2-CD2 4.01Å; F81-L90 HydrophobicContact CE2-CG 4.41Å; F81-L90 HydrophobicContact CG-CD1 4.43Å; F81-L90 HydrophobicContact CG-CD2 3.83Å; F81-L90 HydrophobicContact CZ-CB 4.33Å; F81-L90 HydrophobicContact CZ-CD2 3.82Å; V85-L90 HydrophobicContact CG2-CD2 4.43Å; L90-F96 HydrophobicContact CD1-CD2 3.91Å; L90-F96 HydrophobicContact CD1-CE2 4.1Å; L90-F109 HydrophobicContact CB-CB 3.99Å; L90-F109 HydrophobicContact CB-CD1 3.82Å; L90-F109 HydrophobicContact CB-CG 4.05Å; L90-F109 HydrophobicContact CD1-CD1 3.94Å; L90-F109 HydrophobicContact CD1-CE1 3.94Å; L90-E111 PolarHBondContact O-N 3.24Å; L90-E111 VanDerWaalsContact O-N 3.1Å; L90-N112 PolarHBondContact N-OD1 3.45Å; L90-N112 PolarHBondContact O-N 3.25Å
91	H	91.7	Very high	89.4	Confident	77 Å²	77	56 Å²	56	36%	0.356	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	134.5	-169.7	-170.3	99.9	0	0	0	111.9	K84 A86 M89 F109	K84-H91 CarbonylContact C-O 3.48Å; K84-H91 VanDerWaalsContact C-O 3.24Å; K84-H91 WeakPolarHBondContact CB-O 3.44Å; K84-H91 PolarHBondContact O-N 2.96Å; K84-H91 VanDerWaalsContact O-N 3.14Å; K84-H91 VanDerWaalsContact O-O 3.06Å; A86-H91 HydrophobicContact CB-CB 3.87Å; M89-H91 PolarHBondContact O-N 3.09Å; H91-F109 CarbonylContact C-O 3.49Å; H91-F109 WeakPolarHBondContact CA-O 3.45Å
92	G	91.3	Very high	89.2	Confident	22 Å²	22	57.1 Å²	57.1	23%	0.227	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.3	-162.5	-168.8	0	0	0	0	0	111.2	F109	G92-F109 PolarHBondContact N-O 2.89Å; G92-F109 PolarHBondContact O-N 2.77Å
93	H	92.9	Very high	89.1	Confident	101 Å²	101	53.2 Å²	53.2	47%	0.468	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	142.1	-175	-157.8	76.5	0	0	0	113.2	K84 G107 D108	K84-H93 PolarHBondContact N-O 2.85Å; K84-H93 VanDerWaalsContact N-O 3.1Å; H93-G107 WeakPolarHBondContact CA-O 3.15Å; H93-G107 PolarHBondContact ND1-O 3.14Å; H93-D108 IonicContact ND1-OD1 2.67Å; H93-D108 PolarHBondContact ND1-OD1 3.1Å
94	G	93.4	Very high	89.1	Confident	5 Å²	5	55.6 Å²	55.6	5%	0.052	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	179.1	173.4	0	0	0	0	0	113.3	E82 I106 G107	E82-G94 CarbonylContact O-C 3.5Å; E82-G94 VanDerWaalsContact O-CA 3.25Å; E82-G94 WeakPolarHBondContact O-CA 3.39Å; G94-I106 CarbonylContact O-C 3.55Å; G94-I106 WeakPolarHBondContact O-CA 3.49Å; G94-G107 PolarHBondContact N-O 3.35Å; G94-G107 PolarHBondContact O-N 2.86Å
95	E	95.2	Very high	89.3	Confident	77 Å²	77	52.1 Å²	52.1	36%	0.36	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.5	175	175.8	167.5	162.4	0	0	109.2	F81 E82 M104 Y105 I106	F81-E95 CarbonylContact C-O 3.52Å; F81-E95 WeakPolarHBondContact CA-O 3.44Å; F81-E95 WeakPolarHBondContact CD2-O 2.89Å; E82-E95 PolarHBondContact N-O 2.93Å; E82-E95 PolarHBondContact O-N 2.93Å; E95-M104 WeakPolarHBondContact OE1-CE 3.39Å; E95-Y105 CarbonylContact C-O 3.52Å; E95-Y105 VanDerWaalsContact CA-O 3.3Å; E95-Y105 WeakPolarHBondContact CA-O 3.45Å; E95-I106 HydrophobicContact CB-CG1 4.2Å; E95-I106 HydrophobicContact CG-CG1 3.84Å
96	F	93.8	Very high	89.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.4	175.6	-162.9	-71.7	0	0	0	109.8	L48 L51 Y75 N79 T80 F81 L90 W98 M104 Y105 F109	L48-F96 HydrophobicContact CD2-CD1 4.12Å; L48-F96 HydrophobicContact CD2-CD2 3.64Å; L48-F96 HydrophobicContact CD2-CE1 4Å; L48-F96 HydrophobicContact CD2-CE2 3.53Å; L48-F96 HydrophobicContact CD2-CG 3.97Å; L48-F96 HydrophobicContact CD2-CZ 3.72Å; L51-F96 HydrophobicContact CD1-CE2 3.55Å; L51-F96 HydrophobicContact CD1-CZ 3.49Å; L51-F96 VanDerWaalsContact CD1-CZ 3.49Å; L51-F96 HydrophobicContact CD2-CZ 3.99Å; L51-F96 HydrophobicContact CG-CZ 4.41Å; Y75-F96 HydrophobicContact CD2-CE2 4.27Å; Y75-F96 HydrophobicContact CD2-CZ 4.15Å; Y75-F96 AromaticContact CE2-CE2 3.54Å; Y75-F96 HydrophobicContact CE2-CE2 3.54Å; Y75-F96 AromaticContact CE2-CZ 3.87Å; Y75-F96 HydrophobicContact CE2-CZ 3.87Å; N79-F96 HydrophobicContact CB-CE1 3.82Å; N79-F96 HydrophobicContact CB-CZ 3.88Å; T80-F96 CarbonylContact O-C 3.51Å; T80-F96 WeakPolarHBondContact O-CA 3.43Å; F81-F96 HydrophobicContact CB-CD2 3.77Å; F81-F96 HydrophobicContact CB-CE2 4.17Å; F81-F96 HydrophobicContact CD2-CB 4.23Å; F81-F96 AromaticContact CD2-CD2 3.89Å; F81-F96 HydrophobicContact CD2-CD2 3.89Å; F81-F96 HydrophobicContact CG-CD2 4.26Å; L90-F96 HydrophobicContact CD1-CD2 3.91Å; L90-F96 HydrophobicContact CD1-CE2 4.1Å; F96-W98 HydrophobicContact CB-CH2 3.94Å; F96-W98 HydrophobicContact CB-CZ3 3.94Å; F96-W98 AromaticContact CD1-CD2 3.56Å; F96-W98 HydrophobicContact CD1-CD2 3.56Å; F96-W98 AromaticContact CD1-CE2 3.61Å; F96-W98 AromaticContact CD1-CE3 3.52Å; F96-W98 HydrophobicContact CD1-CE3 3.52Å; F96-W98 HydrophobicContact CD1-CG 4.33Å; F96-W98 AromaticContact CD1-CH2 3.5Å; F96-W98 HydrophobicContact CD1-CH2 3.5Å; F96-W98 AromaticContact CD1-CZ2 3.6Å; F96-W98 HydrophobicContact CD1-CZ2 3.6Å; F96-W98 AromaticContact CD1-CZ3 3.49Å; F96-W98 HydrophobicContact CD1-CZ3 3.49Å; F96-W98 VanDerWaalsContact CD1-CZ3 3.49Å; F96-W98 AromaticContact CE1-CD2 3.71Å; F96-W98 HydrophobicContact CE1-CD2 3.71Å; F96-W98 AromaticContact CE1-CE2 3.59Å; F96-W98 HydrophobicContact CE1-CE3 4.16Å; F96-W98 HydrophobicContact CE1-CG 4.07Å; F96-W98 HydrophobicContact CE1-CH2 4.28Å; F96-W98 AromaticContact CE1-CZ2 3.91Å; F96-W98 HydrophobicContact CE1-CZ2 3.91Å; F96-W98 HydrophobicContact CE1-CZ3 4.42Å; F96-W98 AromaticContact CE1-NE1 3.94Å; F96-W98 AromaticContact CG-CH2 3.9Å; F96-W98 HydrophobicContact CG-CH2 3.9Å; F96-W98 HydrophobicContact CG-CZ2 4.24Å; F96-W98 HydrophobicContact CG-CZ3 4.08Å; F96-W98 WeakPolarHBondContact O-CZ3 3.42Å; F96-M104 CarbonylContact O-C 3.55Å; F96-M104 WeakPolarHBondContact O-CA 3.44Å; F96-Y105 PolarHBondContact N-O 3.44Å; F96-Y105 PolarHBondContact O-N 3.12Å; F96-F109 HydrophobicContact CB-CE1 4.31Å; F96-F109 HydrophobicContact CB-CZ 3.88Å
97	H	92.6	Very high	90.2	Very high	59 Å²	59	51 Å²	51	27%	0.273	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125	178.5	168.7	-117	0	0	0	110.2	N79 T80 L103 M104	N79-H97 VanDerWaalsContact CA-O 3.28Å; N79-H97 WeakPolarHBondContact CA-O 3.49Å; N79-H97 WeakPolarHBondContact CB-O 3.36Å; T80-H97 PolarHBondContact N-O 2.93Å; T80-H97 PolarHBondContact O-N 2.93Å; H97-L103 WeakPolarHBondContact CA-O 3.34Å; H97-M104 HydrophobicContact CB-CG 4.31Å
98	W	90.1	Very high	90.7	Very high	23 Å²	23	46.7 Å²	46.7	9%	0.087	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	107.5	176.1	-70.8	-107.2	0	0	0	108.9	V46 Q47 L48 N79 F96 E100 T101 G102 L103 I114	V46-W98 HydrophobicContact CG1-CE3 4.47Å; V46-W98 HydrophobicContact CG1-CH2 3.25Å; V46-W98 HydrophobicContact CG1-CZ2 3.45Å; V46-W98 VanDerWaalsContact CG1-CZ2 3.45Å; V46-W98 HydrophobicContact CG1-CZ3 3.79Å; Q47-W98 PolarHBondContact O-NE1 2.81Å; Q47-W98 VanDerWaalsContact O-NE1 3.09Å; L48-W98 HydrophobicContact CD2-CH2 4.14Å; L48-W98 HydrophobicContact CD2-CZ2 3.49Å; L48-W98 VanDerWaalsContact CD2-CZ2 3.49Å; L48-W98 HydrophobicContact CG-CZ2 4.1Å; N79-W98 WeakPolarHBondContact OD1-CA 3.48Å; F96-W98 HydrophobicContact CB-CH2 3.94Å; F96-W98 HydrophobicContact CB-CZ3 3.94Å; F96-W98 AromaticContact CD1-CD2 3.56Å; F96-W98 HydrophobicContact CD1-CD2 3.56Å; F96-W98 AromaticContact CD1-CE2 3.61Å; F96-W98 AromaticContact CD1-CE3 3.52Å; F96-W98 HydrophobicContact CD1-CE3 3.52Å; F96-W98 HydrophobicContact CD1-CG 4.33Å; F96-W98 AromaticContact CD1-CH2 3.5Å; F96-W98 HydrophobicContact CD1-CH2 3.5Å; F96-W98 AromaticContact CD1-CZ2 3.6Å; F96-W98 HydrophobicContact CD1-CZ2 3.6Å; F96-W98 AromaticContact CD1-CZ3 3.49Å; F96-W98 HydrophobicContact CD1-CZ3 3.49Å; F96-W98 VanDerWaalsContact CD1-CZ3 3.49Å; F96-W98 AromaticContact CE1-CD2 3.71Å; F96-W98 HydrophobicContact CE1-CD2 3.71Å; F96-W98 AromaticContact CE1-CE2 3.59Å; F96-W98 HydrophobicContact CE1-CE3 4.16Å; F96-W98 HydrophobicContact CE1-CG 4.07Å; F96-W98 HydrophobicContact CE1-CH2 4.28Å; F96-W98 AromaticContact CE1-CZ2 3.91Å; F96-W98 HydrophobicContact CE1-CZ2 3.91Å; F96-W98 HydrophobicContact CE1-CZ3 4.42Å; F96-W98 AromaticContact CE1-NE1 3.94Å; F96-W98 AromaticContact CG-CH2 3.9Å; F96-W98 HydrophobicContact CG-CH2 3.9Å; F96-W98 HydrophobicContact CG-CZ2 4.24Å; F96-W98 HydrophobicContact CG-CZ3 4.08Å; F96-W98 WeakPolarHBondContact O-CZ3 3.42Å; W98-E100 PolarHBondContact O-N 2.89Å; W98-T101 VanDerWaalsContact CB-OG1 3.29Å; W98-T101 WeakPolarHBondContact CB-OG1 3.21Å; W98-T101 PolarHBondContact O-N 2.82Å; W98-G102 WeakPolarHBondContact O-CA 3.34Å; W98-G102 PolarHBondContact O-N 2.94Å; W98-L103 HydrophobicContact CB-CB 4.32Å; W98-L103 HydrophobicContact CD2-CD2 4.29Å; W98-L103 HydrophobicContact CE3-CB 4.19Å; W98-L103 HydrophobicContact CE3-CD2 4.02Å; W98-L103 HydrophobicContact CE3-CG 4.17Å; W98-L103 HydrophobicContact CZ3-CD2 4.39Å; W98-L103 PolarHBondContact N-O 2.79Å; W98-I114 HydrophobicContact CH2-CD1 3.69Å; W98-I114 HydrophobicContact CZ2-CD1 4.03Å
99	S	87.3	Confident	91.2	Very high	53 Å²	53	41.9 Å²	41.9	37%	0.371	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-34.3	-169.9	80	0	0	0	0	113.7	N77 G78 N79 T101	N77-S99 PolarHBondContact O-OG 2.88Å; G78-S99 WeakPolarHBondContact O-CB 3.37Å; N79-S99 PolarHBondContact OD1-N 3.35Å; S99-T101 VanDerWaalsContact C-N 3.35Å
100	E	84.3	Confident	91.4	Very high	147 Å²	147	44.7 Å²	44.7	69%	0.687	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-37.9	178.7	-178.9	178.9	-171.6	0	0	112.1	W98	W98-E100 PolarHBondContact O-N 2.89Å
101	T	84.3	Confident	91.4	Very high	46 Å²	46	49.7 Å²	49.7	28%	0.282	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-22.3	-175	63.9	0	0	0	0	112.9	P4 W98 S99 L103 P123	P4-T101 HydrophobicContact CG-CG2 3.84Å; W98-T101 VanDerWaalsContact CB-OG1 3.29Å; W98-T101 WeakPolarHBondContact CB-OG1 3.21Å; W98-T101 PolarHBondContact O-N 2.82Å; S99-T101 VanDerWaalsContact C-N 3.35Å; T101-L103 VanDerWaalsContact OG1-CB 3.27Å; T101-L103 WeakPolarHBondContact OG1-CB 3.15Å; T101-L103 PolarHBondContact OG1-N 3.31Å; T101-P123 WeakPolarHBondContact O-CG 3.39Å
102	G	87.4	Confident	91.3	Very high	29 Å²	29	47.9 Å²	47.9	30%	0.299	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	12.5	-169.9	0	0	0	0	0	113.9	W98	W98-G102 WeakPolarHBondContact O-CA 3.34Å; W98-G102 PolarHBondContact O-N 2.94Å
103	L	89.6	Confident	91.2	Very high	17 Å²	17	52 Å²	52	9%	0.089	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	142.4	176.4	-173.1	76.1	0	0	0	110.2	V46 H97 W98 T101 I120 I121 W122	V46-L103 HydrophobicContact CB-CD2 4.38Å; V46-L103 HydrophobicContact CG1-CD2 3.77Å; V46-L103 HydrophobicContact CG2-CD2 3.99Å; H97-L103 WeakPolarHBondContact CA-O 3.34Å; W98-L103 HydrophobicContact CB-CB 4.32Å; W98-L103 HydrophobicContact CD2-CD2 4.29Å; W98-L103 HydrophobicContact CE3-CB 4.19Å; W98-L103 HydrophobicContact CE3-CD2 4.02Å; W98-L103 HydrophobicContact CE3-CG 4.17Å; W98-L103 HydrophobicContact CZ3-CD2 4.39Å; W98-L103 PolarHBondContact N-O 2.79Å; T101-L103 VanDerWaalsContact OG1-CB 3.27Å; T101-L103 WeakPolarHBondContact OG1-CB 3.15Å; T101-L103 PolarHBondContact OG1-N 3.31Å; L103-I120 HydrophobicContact CD1-CG2 3.77Å; L103-I120 HydrophobicContact CG-CG2 4.46Å; L103-I121 WeakPolarHBondContact CD1-O 3.19Å; L103-W122 HydrophobicContact CD1-CD2 4.27Å; L103-W122 HydrophobicContact CD1-CG 3.83Å
104	M	92.3	Very high	91.1	Very high	54 Å²	54	47.3 Å²	47.3	27%	0.266	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147	170.1	-57.9	171	69.2	0	0	110.9	E95 F96 H97 I120 I121	E95-M104 WeakPolarHBondContact OE1-CE 3.39Å; F96-M104 CarbonylContact O-C 3.55Å; F96-M104 WeakPolarHBondContact O-CA 3.44Å; H97-M104 HydrophobicContact CB-CG 4.31Å; M104-I120 CarbonylContact O-C 3.29Å; M104-I120 WeakPolarHBondContact O-CA 3.3Å; M104-I121 HydrophobicContact CB-CB 4.25Å; M104-I121 PolarHBondContact N-O 3.17Å; M104-I121 PolarHBondContact O-N 2.93Å
105	Y	93.9	Very high	91.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.5	168.3	174.1	-99.4	0	0	0	110.1	E95 F96 G107 D108 F109 I114 T115 K119 I120 V132	E95-Y105 CarbonylContact C-O 3.52Å; E95-Y105 VanDerWaalsContact CA-O 3.3Å; E95-Y105 WeakPolarHBondContact CA-O 3.45Å; F96-Y105 PolarHBondContact N-O 3.44Å; F96-Y105 PolarHBondContact O-N 3.12Å; Y105-G107 WeakPolarHBondContact OH-CA 3.25Å; Y105-D108 PolarHBondContact OH-N 3.02Å; Y105-D108 VanDerWaalsContact OH-N 3.07Å; Y105-D108 PolarHBondContact OH-O 3.48Å; Y105-F109 HydrophobicContact CD1-CE1 4.21Å; Y105-F109 AromaticContact CD1-CE2 3.84Å; Y105-F109 HydrophobicContact CD1-CE2 3.84Å; Y105-F109 AromaticContact CD1-CZ 3.5Å; Y105-F109 HydrophobicContact CD1-CZ 3.5Å; Y105-F109 HydrophobicContact CE1-CD2 4.32Å; Y105-F109 HydrophobicContact CE1-CE1 4.41Å; Y105-F109 AromaticContact CE1-CE2 3.71Å; Y105-F109 HydrophobicContact CE1-CE2 3.71Å; Y105-F109 AromaticContact CE1-CZ 3.79Å; Y105-F109 HydrophobicContact CE1-CZ 3.79Å; Y105-I114 HydrophobicContact CD1-CD1 4.27Å; Y105-I114 HydrophobicContact CD1-CG1 4.18Å; Y105-I114 HydrophobicContact CD1-CG2 4.07Å; Y105-I114 HydrophobicContact CD2-CG2 4.06Å; Y105-I114 HydrophobicContact CE1-CB 4.46Å; Y105-I114 HydrophobicContact CE1-CG1 4.26Å; Y105-I114 HydrophobicContact CE1-CG2 3.65Å; Y105-I114 HydrophobicContact CE2-CG2 3.62Å; Y105-I114 HydrophobicContact CG-CD1 4.35Å; Y105-I114 HydrophobicContact CG-CG2 4.25Å; Y105-T115 PolarHBondContact OH-O 2.95Å; Y105-K119 CarbonylContact C-O 3.49Å; Y105-K119 VanDerWaalsContact CA-O 3.3Å; Y105-K119 WeakPolarHBondContact CA-O 3.41Å; Y105-I120 HydrophobicContact CD2-CG1 3.75Å; Y105-I120 HydrophobicContact CE2-CG1 4.37Å; Y105-V132 HydrophobicContact CE2-CG2 4.2Å
106	I	95.6	Very high	91	Very high	50 Å²	50	46.9 Å²	46.9	26%	0.256	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	110.5	177.3	-54.3	166.4	0	0	0	107.5	G94 E95 G118 K119 I121	G94-I106 CarbonylContact O-C 3.55Å; G94-I106 WeakPolarHBondContact O-CA 3.49Å; E95-I106 HydrophobicContact CB-CG1 4.2Å; E95-I106 HydrophobicContact CG-CG1 3.84Å; I106-G118 CarbonylContact O-C 3.59Å; I106-G118 VanDerWaalsContact O-CA 3.24Å; I106-G118 WeakPolarHBondContact O-CA 3.41Å; I106-K119 HydrophobicContact CB-CB 4.48Å; I106-K119 PolarHBondContact N-O 2.83Å; I106-K119 PolarHBondContact O-N 2.83Å; I106-I121 HydrophobicContact CD1-CD1 4.35Å
107	G	94.9	Very high	91.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-159.1	-172.8	0	0	0	0	0	114.3	H93 G94 Y105 F109 H117	H93-G107 WeakPolarHBondContact CA-O 3.15Å; H93-G107 PolarHBondContact ND1-O 3.14Å; G94-G107 PolarHBondContact N-O 3.35Å; G94-G107 PolarHBondContact O-N 2.86Å; Y105-G107 WeakPolarHBondContact OH-CA 3.25Å; G107-F109 WeakPolarHBondContact O-CD2 3.32Å; G107-F109 WeakPolarHBondContact O-CE2 3.36Å; G107-H117 WeakPolarHBondContact CA-O 3.46Å
108	D	94.4	Very high	91.2	Very high	58 Å²	58	48.9 Å²	48.9	31%	0.31	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.7	-174.4	-58.1	-38.5	0	0	0	113.2	H93 Y105 T115 H117	H93-D108 IonicContact ND1-OD1 2.67Å; H93-D108 PolarHBondContact ND1-OD1 3.1Å; Y105-D108 PolarHBondContact OH-N 3.02Å; Y105-D108 VanDerWaalsContact OH-N 3.07Å; Y105-D108 PolarHBondContact OH-O 3.48Å; D108-T115 CarbonylContact O-C 3.58Å; D108-T115 PolarHBondContact O-N 2.88Å; D108-H117 PolarHBondContact N-O 2.85Å; D108-H117 PolarHBondContact OD2-N 2.85Å
109	F	93	Very high	91.4	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.022	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	148.5	172.6	-61.7	-104.8	0	0	0	109.7	L48 F81 L90 H91 G92 F96 Y105 G107 K113 I114	L48-F109 HydrophobicContact CD1-CD1 4.09Å; L48-F109 HydrophobicContact CD1-CE1 4.02Å; F81-F109 HydrophobicContact CD2-CE2 4.49Å; F81-F109 HydrophobicContact CD2-CZ 4.16Å; F81-F109 HydrophobicContact CE2-CD2 4.07Å; F81-F109 HydrophobicContact CE2-CE1 4.25Å; F81-F109 AromaticContact CE2-CE2 3.76Å; F81-F109 HydrophobicContact CE2-CE2 3.76Å; F81-F109 HydrophobicContact CE2-CG 4.47Å; F81-F109 AromaticContact CE2-CZ 3.84Å; F81-F109 HydrophobicContact CE2-CZ 3.84Å; L90-F109 HydrophobicContact CB-CB 3.99Å; L90-F109 HydrophobicContact CB-CD1 3.82Å; L90-F109 HydrophobicContact CB-CG 4.05Å; L90-F109 HydrophobicContact CD1-CD1 3.94Å; L90-F109 HydrophobicContact CD1-CE1 3.94Å; H91-F109 CarbonylContact C-O 3.49Å; H91-F109 WeakPolarHBondContact CA-O 3.45Å; G92-F109 PolarHBondContact N-O 2.89Å; G92-F109 PolarHBondContact O-N 2.77Å; F96-F109 HydrophobicContact CB-CE1 4.31Å; F96-F109 HydrophobicContact CB-CZ 3.88Å; Y105-F109 HydrophobicContact CD1-CE1 4.21Å; Y105-F109 AromaticContact CD1-CE2 3.84Å; Y105-F109 HydrophobicContact CD1-CE2 3.84Å; Y105-F109 AromaticContact CD1-CZ 3.5Å; Y105-F109 HydrophobicContact CD1-CZ 3.5Å; Y105-F109 HydrophobicContact CE1-CD2 4.32Å; Y105-F109 HydrophobicContact CE1-CE1 4.41Å; Y105-F109 AromaticContact CE1-CE2 3.71Å; Y105-F109 HydrophobicContact CE1-CE2 3.71Å; Y105-F109 AromaticContact CE1-CZ 3.79Å; Y105-F109 HydrophobicContact CE1-CZ 3.79Å; G107-F109 WeakPolarHBondContact O-CD2 3.32Å; G107-F109 WeakPolarHBondContact O-CE2 3.36Å; F109-K113 CarbonylContact C-O 3.54Å; F109-K113 WeakPolarHBondContact CA-O 3.4Å; F109-I114 HydrophobicContact CD1-CG1 4.13Å; F109-I114 HydrophobicContact CE1-CG1 3.86Å
110	K	92.1	Very high	91.7	Very high	114 Å²	114	47.9 Å²	47.9	50%	0.496	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	109.7	168.3	-175.8	-178.2	176.8	-175.2	0	109.1	N112 K113 T115	K110-N112 VanDerWaalsContact C-N 3.33Å; K110-N112 PolarHBondContact O-N 2.85Å; K110-K113 PolarHBondContact N-O 2.97Å; K110-K113 WeakPolarHBondContact O-CB 3.1Å; K110-K113 PolarHBondContact O-N 3.14Å; K110-T115 HydrophobicContact CB-CG2 3.73Å
111	E	89.5	Confident	92.1	Very high	107 Å²	107	42.9 Å²	42.9	50%	0.5	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	45.7	173.8	-59	169.7	-171.6	0	0	111.7	M89 L90 K113	M89-E111 HydrophobicContact CE-CB 4.04Å; M89-E111 HydrophobicContact CE-CG 3.79Å; M89-E111 HydrophobicContact SD-CB 3.91Å; M89-E111 HydrophobicContact SD-CG 4.35Å; L90-E111 PolarHBondContact O-N 3.24Å; L90-E111 VanDerWaalsContact O-N 3.1Å; E111-K113 PolarHBondContact O-N 3.39Å
112	N	89	Confident	92.4	Very high	39 Å²	39	41.7 Å²	41.7	21%	0.209	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	14.7	-173.5	-41	-66.2	0	0	0	116	L48 Y52 M89 L90 K110	L48-N112 WeakPolarHBondContact CD1-O 3.23Å; Y52-N112 WeakPolarHBondContact CE2-ND2 3.36Å; Y52-N112 PolarHBondContact OH-ND2 2.99Å; Y52-N112 PolarHBondContact OH-OD1 3.4Å; M89-N112 WeakPolarHBondContact CA-OD1 3.24Å; M89-N112 WeakPolarHBondContact CB-ND2 2.93Å; M89-N112 VanDerWaalsContact CG-ND2 3.27Å; M89-N112 WeakPolarHBondContact CG-ND2 3.44Å; M89-N112 PolarHBondContact SD-ND2 2.98Å; L90-N112 PolarHBondContact N-OD1 3.45Å; L90-N112 PolarHBondContact O-N 3.25Å; K110-N112 VanDerWaalsContact C-N 3.33Å; K110-N112 PolarHBondContact O-N 2.85Å
113	K	89.7	Confident	92.5	Very high	107 Å²	107	44 Å²	44	47%	0.465	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.7	167.4	-67.7	162.7	159.5	-90.2	0	110	F109 K110 E111 T115 D134	F109-K113 CarbonylContact C-O 3.54Å; F109-K113 WeakPolarHBondContact CA-O 3.4Å; K110-K113 PolarHBondContact N-O 2.97Å; K110-K113 WeakPolarHBondContact O-CB 3.1Å; K110-K113 PolarHBondContact O-N 3.14Å; E111-K113 PolarHBondContact O-N 3.39Å; K113-T115 PolarHBondContact O-N 3.47Å; K113-D134 WeakPolarHBondContact CD-OD1 3.12Å; K113-D134 WeakPolarHBondContact CG-OD1 3.38Å; K113-D134 VanDerWaalsContact NZ-CG 3.27Å; K113-D134 IonicContact NZ-OD1 3.87Å; K113-D134 PolarHBondContact NZ-OD1 2.81Å; K113-D134 IonicContact NZ-OD2 2.97Å; K113-D134 PolarHBondContact NZ-OD2 2.84Å
114	I	91.8	Very high	92.3	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	122.1	168.6	-67.2	170.1	0	0	0	107.8	V46 L48 W98 Y105 F109 V132 D134 G135	V46-I114 HydrophobicContact CB-CD1 4.04Å; V46-I114 HydrophobicContact CG1-CD1 3.46Å; V46-I114 VanDerWaalsContact CG1-CD1 3.46Å; L48-I114 HydrophobicContact CD1-CD1 4.13Å; L48-I114 HydrophobicContact CD1-CG1 3.77Å; L48-I114 HydrophobicContact CG-CD1 4.13Å; L48-I114 HydrophobicContact CG-CG1 4.33Å; W98-I114 HydrophobicContact CH2-CD1 3.69Å; W98-I114 HydrophobicContact CZ2-CD1 4.03Å; Y105-I114 HydrophobicContact CD1-CD1 4.27Å; Y105-I114 HydrophobicContact CD1-CG1 4.18Å; Y105-I114 HydrophobicContact CD1-CG2 4.07Å; Y105-I114 HydrophobicContact CD2-CG2 4.06Å; Y105-I114 HydrophobicContact CE1-CB 4.46Å; Y105-I114 HydrophobicContact CE1-CG1 4.26Å; Y105-I114 HydrophobicContact CE1-CG2 3.65Å; Y105-I114 HydrophobicContact CE2-CG2 3.62Å; Y105-I114 HydrophobicContact CG-CD1 4.35Å; Y105-I114 HydrophobicContact CG-CG2 4.25Å; F109-I114 HydrophobicContact CD1-CG1 4.13Å; F109-I114 HydrophobicContact CE1-CG1 3.86Å; I114-V132 HydrophobicContact CG2-CB 4.24Å; I114-V132 HydrophobicContact CG2-CG1 3.64Å; I114-D134 WeakPolarHBondContact O-CA 3.48Å; I114-D134 PolarHBondContact O-N 3.49Å; I114-G135 PolarHBondContact O-N 2.81Å; I114-G135 VanDerWaalsContact O-N 3.12Å
115	T	92.6	Very high	92.2	Very high	42 Å²	42	51.3 Å²	51.3	26%	0.258	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	-166.3	-176.6	-165.3	0	0	0	0	111.6	Y105 D108 K110 K113 V132	Y105-T115 PolarHBondContact OH-O 2.95Å; D108-T115 CarbonylContact O-C 3.58Å; D108-T115 PolarHBondContact O-N 2.88Å; K110-T115 HydrophobicContact CB-CG2 3.73Å; K113-T115 PolarHBondContact O-N 3.47Å; T115-V132 CarbonylContact C-O 3.59Å; T115-V132 VanDerWaalsContact C-O 3.29Å; T115-V132 WeakPolarHBondContact CA-O 3.4Å; T115-V132 PolarHBondContact OG1-O 3.21Å
116	G	92.7	Very high	92	Very high	31 Å²	31	51.3 Å²	51.3	32%	0.32	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	59	-139.6	177.2	0	0	0	0	0	112.2	D131 V132	G116-D131 CarbonylContact O-C 3.46Å; G116-D131 VanDerWaalsContact O-CA 3.32Å; G116-D131 WeakPolarHBondContact O-CA 2.99Å; G116-V132 PolarHBondContact N-O 3.47Å; G116-V132 PolarHBondContact O-N 3.18Å
117	H	95.2	Very high	92	Very high	95 Å²	95	51.7 Å²	51.7	44%	0.44	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.6	179.4	-163.8	81.3	0	0	0	110.5	G107 D108 G130 D131	G107-H117 WeakPolarHBondContact CA-O 3.46Å; D108-H117 PolarHBondContact N-O 2.85Å; D108-H117 PolarHBondContact OD2-N 2.85Å; H117-G130 VanDerWaalsContact CE1-CA 3.48Å; H117-G130 WeakPolarHBondContact CE1-CA 3.06Å; H117-D131 IonicContact ND1-OD1 3.16Å; H117-D131 PolarHBondContact ND1-OD1 2.85Å; H117-D131 VanDerWaalsContact ND1-OD1 3.1Å
118	G	94.4	Very high	91.9	Very high	5 Å²	5	51.7 Å²	51.7	5%	0.052	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	173.3	177.8	0	0	0	0	0	115.2	I106 I129 G130	I106-G118 CarbonylContact O-C 3.59Å; I106-G118 VanDerWaalsContact O-CA 3.24Å; I106-G118 WeakPolarHBondContact O-CA 3.41Å; G118-I129 WeakPolarHBondContact O-CA 3.36Å; G118-G130 PolarHBondContact N-O 2.81Å; G118-G130 PolarHBondContact O-N 3.26Å; G118-G130 VanDerWaalsContact O-O 3.11Å
119	K	96.1	Very high	92.1	Very high	56 Å²	56	52.1 Å²	52.1	24%	0.243	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.6	177.2	-179.4	166.5	-175.3	160.7	0	110.1	Y105 I106 I121 E127 Y128 I129	Y105-K119 CarbonylContact C-O 3.49Å; Y105-K119 VanDerWaalsContact CA-O 3.3Å; Y105-K119 WeakPolarHBondContact CA-O 3.41Å; I106-K119 HydrophobicContact CB-CB 4.48Å; I106-K119 PolarHBondContact N-O 2.83Å; I106-K119 PolarHBondContact O-N 2.83Å; K119-I121 HydrophobicContact CD-CD1 4.24Å; K119-I121 HydrophobicContact CD-CG1 4.23Å; K119-I121 HydrophobicContact CG-CD1 4.38Å; K119-I121 HydrophobicContact CG-CG1 3.93Å; K119-E127 WeakPolarHBondContact CE-OE2 3.4Å; K119-E127 IonicContact NZ-OE1 2.91Å; K119-E127 PolarHBondContact NZ-OE1 3.18Å; K119-E127 VanDerWaalsContact NZ-OE1 3.1Å; K119-E127 IonicContact NZ-OE2 3.87Å; K119-E127 PolarHBondContact NZ-OE2 3.21Å; K119-Y128 CarbonylContact C-O 3.51Å; K119-Y128 WeakPolarHBondContact CA-O 3.32Å; K119-I129 HydrophobicContact CB-CG1 4.18Å; K119-I129 HydrophobicContact CD-CD1 4.06Å; K119-I129 HydrophobicContact CD-CG1 3.87Å; K119-I129 HydrophobicContact CG-CG1 3.83Å
120	I	93.5	Very high	92.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.7	168.2	-53.8	162.6	0	0	0	107.6	V46 L103 M104 Y105 W122 E127 Y128 V132 R137	V46-I120 HydrophobicContact CG2-CD1 3.95Å; V46-I120 HydrophobicContact CG2-CG1 4.31Å; V46-I120 HydrophobicContact CG2-CG2 4.17Å; L103-I120 HydrophobicContact CD1-CG2 3.77Å; L103-I120 HydrophobicContact CG-CG2 4.46Å; M104-I120 CarbonylContact O-C 3.29Å; M104-I120 WeakPolarHBondContact O-CA 3.3Å; Y105-I120 HydrophobicContact CD2-CG1 3.75Å; Y105-I120 HydrophobicContact CE2-CG1 4.37Å; I120-W122 HydrophobicContact CB-CH2 3.85Å; I120-W122 HydrophobicContact CB-CZ2 4.16Å; I120-W122 HydrophobicContact CB-CZ3 4.12Å; I120-W122 HydrophobicContact CD1-CH2 4.19Å; I120-W122 HydrophobicContact CD1-CZ2 4.33Å; I120-W122 HydrophobicContact CG2-CD2 4.04Å; I120-W122 HydrophobicContact CG2-CE3 4.19Å; I120-W122 HydrophobicContact CG2-CH2 3.7Å; I120-W122 HydrophobicContact CG2-CZ2 3.5Å; I120-W122 HydrophobicContact CG2-CZ3 4.05Å; I120-E127 CarbonylContact O-C 3.49Å; I120-E127 VanDerWaalsContact O-CA 3.26Å; I120-E127 WeakPolarHBondContact O-CA 3.43Å; I120-Y128 HydrophobicContact CD1-CD1 3.95Å; I120-Y128 HydrophobicContact CG1-CD1 4.37Å; I120-Y128 PolarHBondContact N-O 2.9Å; I120-Y128 PolarHBondContact O-N 2.96Å; I120-V132 HydrophobicContact CD1-CG2 4.41Å; I120-R137 HydrophobicContact CD1-CG 4.3Å
121	I	92.5	Very high	92.5	Very high	41 Å²	41	49.2 Å²	49.2	21%	0.21	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.6	176.7	-49.3	175.7	0	0	0	108.3	L103 M104 I106 K119	L103-I121 WeakPolarHBondContact CD1-O 3.19Å; M104-I121 HydrophobicContact CB-CB 4.25Å; M104-I121 PolarHBondContact N-O 3.17Å; M104-I121 PolarHBondContact O-N 2.93Å; I106-I121 HydrophobicContact CD1-CD1 4.35Å; K119-I121 HydrophobicContact CD-CD1 4.24Å; K119-I121 HydrophobicContact CD-CG1 4.23Å; K119-I121 HydrophobicContact CG-CD1 4.38Å; K119-I121 HydrophobicContact CG-CG1 3.93Å
122	W	90.5	Very high	92.7	Very high	21 Å²	21	44.2 Å²	44.2	8%	0.08	23%	0.227	C	C	.	.			trans	-96	157.9	178.8	-71	-86	0	0	0	111.9	P7 L103 I120 N124 K125 S126 Y143	P7-W122 HydrophobicContact CG-CD2 3.63Å; P7-W122 HydrophobicContact CG-CE3 4.37Å; P7-W122 HydrophobicContact CG-CG 3.74Å; P7-W122 HydrophobicContact CG-CZ2 3.94Å; P7-W122 VanDerWaalsContact CG-NE1 3.3Å; L103-W122 HydrophobicContact CD1-CD2 4.27Å; L103-W122 HydrophobicContact CD1-CG 3.83Å; I120-W122 HydrophobicContact CB-CH2 3.85Å; I120-W122 HydrophobicContact CB-CZ2 4.16Å; I120-W122 HydrophobicContact CB-CZ3 4.12Å; I120-W122 HydrophobicContact CD1-CH2 4.19Å; I120-W122 HydrophobicContact CD1-CZ2 4.33Å; I120-W122 HydrophobicContact CG2-CD2 4.04Å; I120-W122 HydrophobicContact CG2-CE3 4.19Å; I120-W122 HydrophobicContact CG2-CH2 3.7Å; I120-W122 HydrophobicContact CG2-CZ2 3.5Å; I120-W122 HydrophobicContact CG2-CZ3 4.05Å; W122-N124 WeakPolarHBondContact CB-OD1 3.24Å; W122-N124 PolarHBondContact O-N 2.89Å; W122-N124 VanDerWaalsContact O-N 3.14Å; W122-K125 WeakPolarHBondContact O-CA 3.3Å; W122-K125 PolarHBondContact O-N 3.07Å; W122-S126 PolarHBondContact N-O 2.96Å; W122-Y143 HydrophobicContact CE3-CE2 4.1Å; W122-Y143 HydrophobicContact CH2-CD2 4.23Å; W122-Y143 HydrophobicContact CH2-CE2 4.23Å; W122-Y143 AromaticContact CZ3-CD2 3.78Å; W122-Y143 HydrophobicContact CZ3-CD2 3.78Å; W122-Y143 AromaticContact CZ3-CE2 3.69Å; W122-Y143 HydrophobicContact CZ3-CE2 3.69Å
123	P	88.2	Confident	92.8	Very high	77 Å²	77	45.2 Å²	45.2	50%	0.5	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28	-175.7	-25.3	33.6	0	0	0	115.1	T101 K125	T101-P123 WeakPolarHBondContact O-CG 3.39Å; P123-K125 PolarHBondContact O-N 2.9Å
124	N	86.2	Confident	92.8	Very high	47 Å²	47	43.4 Å²	43.4	25%	0.251	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	4.5	174.1	68.1	-15.8	0	0	0	113.4	T6 W122 S126 S146	T6-N124 HydrophobicContact CG2-CB 3.86Å; T6-N124 WeakPolarHBondContact CG2-ND2 3.48Å; W122-N124 WeakPolarHBondContact CB-OD1 3.24Å; W122-N124 PolarHBondContact O-N 2.89Å; W122-N124 VanDerWaalsContact O-N 3.14Å; N124-S126 VanDerWaalsContact C-N 3.25Å; N124-S126 VanDerWaalsContact CG-OG 3.24Å; N124-S126 PolarHBondContact ND2-OG 2.74Å; N124-S126 PolarHBondContact O-N 3.04Å; N124-S126 VanDerWaalsContact OD1-CB 3.24Å; N124-S126 WeakPolarHBondContact OD1-CB 3.41Å; N124-S126 PolarHBondContact OD1-N 3.17Å; N124-S126 PolarHBondContact OD1-OG 3.31Å; N124-S146 WeakPolarHBondContact O-CB 3.45Å
125	K	89.7	Confident	92.6	Very high	178 Å²	178	43.2 Å²	43.2	77%	0.774	23%	0.229	S	C	*	.	S	Bend	trans	68.8	13.4	-172.4	-45.7	172.7	-177.4	175.1	0	114.9	W122 P123	W122-K125 WeakPolarHBondContact O-CA 3.3Å; W122-K125 PolarHBondContact O-N 3.07Å; P123-K125 PolarHBondContact O-N 2.9Å
126	S	91.1	Very high	92.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	22%	0.222	C	C	.	.			trans	-65.1	147.9	161.9	-56.3	0	0	0	0	108.9	W122 N124 T144 D145 S146	W122-S126 PolarHBondContact N-O 2.96Å; N124-S126 VanDerWaalsContact C-N 3.25Å; N124-S126 VanDerWaalsContact CG-OG 3.24Å; N124-S126 PolarHBondContact ND2-OG 2.74Å; N124-S126 PolarHBondContact O-N 3.04Å; N124-S126 VanDerWaalsContact OD1-CB 3.24Å; N124-S126 WeakPolarHBondContact OD1-CB 3.41Å; N124-S126 PolarHBondContact OD1-N 3.17Å; N124-S126 PolarHBondContact OD1-OG 3.31Å; S126-T144 CarbonylContact C-O 3.24Å; S126-T144 VanDerWaalsContact CA-O 3.27Å; S126-T144 WeakPolarHBondContact CA-O 3.49Å; S126-D145 WeakPolarHBondContact OG-CA 3.39Å; S126-S146 PolarHBondContact OG-N 2.84Å; S126-S146 VanDerWaalsContact OG-N 3.16Å
127	E	93.9	Very high	92.5	Very high	57 Å²	57	41.3 Å²	41.3	27%	0.266	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.5	178.5	59.5	175.1	-122.2	0	0	112.2	K119 I120 Y143 T144	K119-E127 WeakPolarHBondContact CE-OE2 3.4Å; K119-E127 IonicContact NZ-OE1 2.91Å; K119-E127 PolarHBondContact NZ-OE1 3.18Å; K119-E127 VanDerWaalsContact NZ-OE1 3.1Å; K119-E127 IonicContact NZ-OE2 3.87Å; K119-E127 PolarHBondContact NZ-OE2 3.21Å; I120-E127 CarbonylContact O-C 3.49Å; I120-E127 VanDerWaalsContact O-CA 3.26Å; I120-E127 WeakPolarHBondContact O-CA 3.43Å; E127-Y143 CarbonylContact O-C 3.54Å; E127-Y143 VanDerWaalsContact O-CA 3.32Å; E127-Y143 WeakPolarHBondContact O-CA 3.39Å; E127-T144 PolarHBondContact N-O 3.37Å; E127-T144 PolarHBondContact O-N 2.91Å
128	Y	94.8	Very high	92.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.7	170.3	171.9	-99.8	0	0	0	108.4	K119 I120 D131 V132 R137 H138 T142 W155	K119-Y128 CarbonylContact C-O 3.51Å; K119-Y128 WeakPolarHBondContact CA-O 3.32Å; I120-Y128 HydrophobicContact CD1-CD1 3.95Å; I120-Y128 HydrophobicContact CG1-CD1 4.37Å; I120-Y128 PolarHBondContact N-O 2.9Å; I120-Y128 PolarHBondContact O-N 2.96Å; Y128-D131 PolarHBondContact OH-N 2.74Å; Y128-D131 PolarHBondContact OH-O 3.03Å; Y128-V132 HydrophobicContact CD1-CG2 4.46Å; Y128-V132 HydrophobicContact CE1-CG2 3.93Å; Y128-R137 HydrophobicContact CD1-CG 3.86Å; Y128-R137 HydrophobicContact CD2-CG 4.01Å; Y128-R137 HydrophobicContact CE1-CB 4.18Å; Y128-R137 HydrophobicContact CE1-CG 3.85Å; Y128-R137 HydrophobicContact CE2-CB 4.12Å; Y128-R137 HydrophobicContact CE2-CG 3.98Å; Y128-R137 HydrophobicContact CG-CG 3.92Å; Y128-H138 PolarHBondContact OH-O 2.94Å; Y128-T142 CarbonylContact C-O 3.49Å; Y128-T142 VanDerWaalsContact CA-O 3.26Å; Y128-T142 WeakPolarHBondContact CA-O 3.14Å; Y128-T142 WeakPolarHBondContact CD2-O 3.41Å; Y128-W155 HydrophobicContact CD2-CZ2 4.36Å; Y128-W155 AromaticContact CE2-CD1 3.89Å; Y128-W155 HydrophobicContact CE2-CD2 4.23Å; Y128-W155 AromaticContact CE2-CE2 3.75Å; Y128-W155 HydrophobicContact CE2-CG 4.29Å; Y128-W155 HydrophobicContact CE2-CZ2 4.21Å; Y128-W155 AromaticContact CE2-NE1 3.56Å
129	I	96.8	Very high	92.5	Very high	68 Å²	68	40.8 Å²	40.8	35%	0.349	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	114.8	174.2	-58.4	172.2	0	0	0	106.8	G118 K119 G141 T142	G118-I129 WeakPolarHBondContact O-CA 3.36Å; K119-I129 HydrophobicContact CB-CG1 4.18Å; K119-I129 HydrophobicContact CD-CD1 4.06Å; K119-I129 HydrophobicContact CD-CG1 3.87Å; K119-I129 HydrophobicContact CG-CG1 3.83Å; I129-G141 CarbonylContact O-C 3.53Å; I129-G141 VanDerWaalsContact O-CA 3.26Å; I129-G141 WeakPolarHBondContact O-CA 3.26Å; I129-T142 PolarHBondContact N-O 3.48Å; I129-T142 PolarHBondContact O-N 3.46Å
130	G	96.7	Very high	92.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.9	-168.1	-172.7	0	0	0	0	0	113.7	H117 G118 F140	H117-G130 VanDerWaalsContact CE1-CA 3.48Å; H117-G130 WeakPolarHBondContact CE1-CA 3.06Å; G118-G130 PolarHBondContact N-O 2.81Å; G118-G130 PolarHBondContact O-N 3.26Å; G118-G130 VanDerWaalsContact O-O 3.11Å; G130-F140 CarbonylContact C-O 3.43Å; G130-F140 VanDerWaalsContact CA-O 3.23Å; G130-F140 WeakPolarHBondContact CA-O 3.39Å
131	D	96.7	Very high	92.7	Very high	57 Å²	57	43.5 Å²	43.5	31%	0.305	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	143.5	179.8	-47.8	-37.5	0	0	0	111.6	G116 H117 Y128 H138 F140	G116-D131 CarbonylContact O-C 3.46Å; G116-D131 VanDerWaalsContact O-CA 3.32Å; G116-D131 WeakPolarHBondContact O-CA 2.99Å; H117-D131 IonicContact ND1-OD1 3.16Å; H117-D131 PolarHBondContact ND1-OD1 2.85Å; H117-D131 VanDerWaalsContact ND1-OD1 3.1Å; Y128-D131 PolarHBondContact OH-N 2.74Å; Y128-D131 PolarHBondContact OH-O 3.03Å; D131-H138 CarbonylContact C-O 3.51Å; D131-H138 CarbonylContact O-C 3.47Å; D131-H138 PolarHBondContact O-N 3.35Å; D131-F140 PolarHBondContact N-O 2.64Å; D131-F140 PolarHBondContact OD2-N 2.85Å
132	V	93.8	Very high	92.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.9	-178.2	-171.2	0	0	0	0	109.1	Y105 I114 T115 G116 I120 Y128 G135 I136	Y105-V132 HydrophobicContact CE2-CG2 4.2Å; I114-V132 HydrophobicContact CG2-CB 4.24Å; I114-V132 HydrophobicContact CG2-CG1 3.64Å; T115-V132 CarbonylContact C-O 3.59Å; T115-V132 VanDerWaalsContact C-O 3.29Å; T115-V132 WeakPolarHBondContact CA-O 3.4Å; T115-V132 PolarHBondContact OG1-O 3.21Å; G116-V132 PolarHBondContact N-O 3.47Å; G116-V132 PolarHBondContact O-N 3.18Å; I120-V132 HydrophobicContact CD1-CG2 4.41Å; Y128-V132 HydrophobicContact CD1-CG2 4.46Å; Y128-V132 HydrophobicContact CE1-CG2 3.93Å; V132-G135 VanDerWaalsContact CG1-C 3.49Å; V132-I136 WeakPolarHBondContact CA-O 3.27Å; V132-I136 WeakPolarHBondContact CG1-O 3.29Å
133	V	92.4	Very high	93.1	Very high	61 Å²	61	42.4 Å²	42.4	37%	0.37	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	122.9	173.7	178.3	0	0	0	0	108.4	G135 I136 H138	V133-G135 PolarHBondContact O-N 3.22Å; V133-I136 PolarHBondContact N-O 3.32Å; V133-I136 PolarHBondContact O-N 2.87Å; V133-H138 HydrophobicContact CB-CB 4.17Å; V133-H138 HydrophobicContact CG2-CB 3.85Å
134	D	89.3	Confident	93.4	Very high	68 Å²	68	40.3 Å²	40.3	36%	0.364	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	37.9	-176.2	-73.6	-42.5	0	0	0	113.4	Y45 K113 I114 I136	Y45-D134 WeakPolarHBondContact CE1-O 3.39Å; K113-D134 WeakPolarHBondContact CD-OD1 3.12Å; K113-D134 WeakPolarHBondContact CG-OD1 3.38Å; K113-D134 VanDerWaalsContact NZ-CG 3.27Å; K113-D134 IonicContact NZ-OD1 3.87Å; K113-D134 PolarHBondContact NZ-OD1 2.81Å; K113-D134 IonicContact NZ-OD2 2.97Å; K113-D134 PolarHBondContact NZ-OD2 2.84Å; I114-D134 WeakPolarHBondContact O-CA 3.48Å; I114-D134 PolarHBondContact O-N 3.49Å; D134-I136 VanDerWaalsContact C-N 3.29Å; D134-I136 PolarHBondContact O-N 2.86Å
135	G	87.8	Confident	93.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	6.8	-178.6	0	0	0	0	0	115.7	V46 I114 V132 V133	V46-G135 WeakPolarHBondContact CB-O 3.48Å; V46-G135 PolarHBondContact N-O 3.16Å; V46-G135 WeakPolarHBondContact O-CA 3.49Å; I114-G135 PolarHBondContact O-N 2.81Å; I114-G135 VanDerWaalsContact O-N 3.12Å; V132-G135 VanDerWaalsContact CG1-C 3.49Å; V133-G135 PolarHBondContact O-N 3.22Å
136	I	89.5	Confident	93.4	Very high	23 Å²	23	33.6 Å²	33.6	12%	0.118	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.1	177.8	-39.2	174.6	0	0	0	110.4	N44 Y45 V132 V133 D134 H138 N157 G158	N44-I136 HydrophobicContact CB-CG2 4.46Å; Y45-I136 HydrophobicContact CD1-CD1 4.28Å; Y45-I136 HydrophobicContact CD1-CG1 3.69Å; Y45-I136 HydrophobicContact CD2-CD1 4.28Å; Y45-I136 HydrophobicContact CD2-CG1 4.29Å; Y45-I136 HydrophobicContact CE1-CD1 3.69Å; Y45-I136 HydrophobicContact CE1-CG1 3.49Å; Y45-I136 VanDerWaalsContact CE1-CG1 3.49Å; Y45-I136 HydrophobicContact CE2-CD1 3.67Å; Y45-I136 HydrophobicContact CE2-CG1 4.11Å; Y45-I136 HydrophobicContact CG-CG1 4.12Å; V132-I136 WeakPolarHBondContact CA-O 3.27Å; V132-I136 WeakPolarHBondContact CG1-O 3.29Å; V133-I136 PolarHBondContact N-O 3.32Å; V133-I136 PolarHBondContact O-N 2.87Å; D134-I136 VanDerWaalsContact C-N 3.29Å; D134-I136 PolarHBondContact O-N 2.86Å; I136-H138 PolarHBondContact O-N 2.69Å; I136-N157 VanDerWaalsContact CG2-C 3.49Å; I136-G158 VanDerWaalsContact CG2-N 3.29Å
137	R	93.2	Very high	93.1	Very high	11 Å²	11	39.8 Å²	39.8	4%	0.042	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	126.4	172.2	-57.9	-177.9	-76.4	-171.6	-2.4	111	N44 I120 Y128 W155 G158	N44-R137 PolarHBondContact OD1-NH2 2.7Å; I120-R137 HydrophobicContact CD1-CG 4.3Å; Y128-R137 HydrophobicContact CD1-CG 3.86Å; Y128-R137 HydrophobicContact CD2-CG 4.01Å; Y128-R137 HydrophobicContact CE1-CB 4.18Å; Y128-R137 HydrophobicContact CE1-CG 3.85Å; Y128-R137 HydrophobicContact CE2-CB 4.12Å; Y128-R137 HydrophobicContact CE2-CG 3.98Å; Y128-R137 HydrophobicContact CG-CG 3.92Å; R137-W155 HydrophobicContact CB-CB 4.41Å; R137-W155 HydrophobicContact CB-CD2 4.24Å; R137-W155 HydrophobicContact CB-CE3 4.13Å; R137-W155 HydrophobicContact CB-CG 4.39Å; R137-G158 PolarHBondContact NH2-O 2.76Å; R137-G158 PolarHBondContact O-N 2.86Å
138	H	93.8	Very high	92.7	Very high	63 Å²	63	38 Å²	38	29%	0.292	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	-179.5	-175.8	-153.2	90.5	0	0	0	110.1	Y128 D131 V133 I136 F140 W155	Y128-H138 PolarHBondContact OH-O 2.94Å; D131-H138 CarbonylContact C-O 3.51Å; D131-H138 CarbonylContact O-C 3.47Å; D131-H138 PolarHBondContact O-N 3.35Å; V133-H138 HydrophobicContact CB-CB 4.17Å; V133-H138 HydrophobicContact CG2-CB 3.85Å; I136-H138 PolarHBondContact O-N 2.69Å; H138-F140 PolarHBondContact O-N 2.86Å; H138-W155 CarbonylContact C-O 3.52Å; H138-W155 WeakPolarHBondContact CA-O 3.23Å
139	G	95.8	Very high	92.5	Very high	26 Å²	26	38.6 Å²	38.6	27%	0.268	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	59.5	-127.8	169.6	0	0	0	0	0	112.3	Q154 W155	G139-Q154 CarbonylContact O-C 3.55Å; G139-Q154 VanDerWaalsContact O-CA 3.24Å; G139-Q154 WeakPolarHBondContact O-CA 3.48Å; G139-W155 PolarHBondContact N-O 2.99Å; G139-W155 PolarHBondContact O-N 2.91Å
140	F	97.6	Very high	92.3	Very high	110 Å²	110	38.3 Å²	38.3	48%	0.482	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.2	174	-164.4	-89.8	0	0	0	111.1	G130 D131 H138 T152 G153 Q154	G130-F140 CarbonylContact C-O 3.43Å; G130-F140 VanDerWaalsContact CA-O 3.23Å; G130-F140 WeakPolarHBondContact CA-O 3.39Å; D131-F140 PolarHBondContact N-O 2.64Å; D131-F140 PolarHBondContact OD2-N 2.85Å; H138-F140 PolarHBondContact O-N 2.86Å; F140-T152 HydrophobicContact CE1-CG2 3.99Å; F140-T152 HydrophobicContact CZ-CG2 3.93Å; F140-G153 WeakPolarHBondContact CA-O 3.43Å; F140-Q154 HydrophobicContact CD2-CG 4.17Å
141	G	96.7	Very high	92.2	Very high	3 Å²	3	38.3 Å²	38.3	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	162.4	176.6	0	0	0	0	0	115.4	I129 G153 W155	I129-G141 CarbonylContact O-C 3.53Å; I129-G141 VanDerWaalsContact O-CA 3.26Å; I129-G141 WeakPolarHBondContact O-CA 3.26Å; G141-G153 PolarHBondContact N-O 3.48Å; G141-G153 PolarHBondContact O-N 3.38Å; G141-G153 VanDerWaalsContact O-N 3.1Å; G141-W155 PolarHBondContact O-NE1 2.81Å
142	T	97	Very high	92.2	Very high	38 Å²	38	37.7 Å²	37.7	23%	0.233	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.6	176.2	-63.1	0	0	0	0	109.7	Y128 I129 Q150 Y151 T152	Y128-T142 CarbonylContact C-O 3.49Å; Y128-T142 VanDerWaalsContact CA-O 3.26Å; Y128-T142 WeakPolarHBondContact CA-O 3.14Å; Y128-T142 WeakPolarHBondContact CD2-O 3.41Å; I129-T142 PolarHBondContact N-O 3.48Å; I129-T142 PolarHBondContact O-N 3.46Å; T142-Q150 HydrophobicContact CG2-CG 3.72Å; T142-Y151 CarbonylContact C-O 3.6Å; T142-Y151 WeakPolarHBondContact CA-O 3.15Å; T142-T152 WeakPolarHBondContact CG2-OG1 3.25Å; T142-T152 WeakPolarHBondContact OG1-CG2 3.37Å; T142-T152 PolarHBondContact OG1-OG1 3.17Å
143	Y	95	Very high	92.4	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.5	164.6	173	-90.4	0	0	0	109.2	P7 I9 W122 E127 D145 Q150 Y151	P7-Y143 PolarHBondContact O-OH 2.84Å; I9-Y143 HydrophobicContact CD1-CD1 3.33Å; I9-Y143 HydrophobicContact CD1-CE1 3.74Å; I9-Y143 HydrophobicContact CD1-CG 4.24Å; I9-Y143 HydrophobicContact CG1-CD1 3.81Å; I9-Y143 HydrophobicContact CG1-CE1 3.7Å; W122-Y143 HydrophobicContact CE3-CE2 4.1Å; W122-Y143 HydrophobicContact CH2-CD2 4.23Å; W122-Y143 HydrophobicContact CH2-CE2 4.23Å; W122-Y143 AromaticContact CZ3-CD2 3.78Å; W122-Y143 HydrophobicContact CZ3-CD2 3.78Å; W122-Y143 AromaticContact CZ3-CE2 3.69Å; W122-Y143 HydrophobicContact CZ3-CE2 3.69Å; E127-Y143 CarbonylContact O-C 3.54Å; E127-Y143 VanDerWaalsContact O-CA 3.32Å; E127-Y143 WeakPolarHBondContact O-CA 3.39Å; Y143-D145 HydrophobicContact CE1-CB 3.69Å; Y143-Q150 CarbonylContact O-C 3.58Å; Y143-Q150 VanDerWaalsContact O-CA 3.27Å; Y143-Q150 WeakPolarHBondContact O-CA 3.26Å; Y143-Y151 PolarHBondContact N-O 2.89Å; Y143-Y151 PolarHBondContact O-N 3.02Å
144	T	93.4	Very high	92.6	Very high	33 Å²	33	38.9 Å²	38.9	20%	0.202	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.2	171.5	-50.1	0	0	0	0	108.2	S126 E127 L149 Q150	S126-T144 CarbonylContact C-O 3.24Å; S126-T144 VanDerWaalsContact CA-O 3.27Å; S126-T144 WeakPolarHBondContact CA-O 3.49Å; E127-T144 PolarHBondContact N-O 3.37Å; E127-T144 PolarHBondContact O-N 2.91Å; T144-L149 CarbonylContact C-O 3.45Å; T144-L149 WeakPolarHBondContact CA-O 3.41Å; T144-Q150 HydrophobicContact CG2-CB 4.49Å; T144-Q150 PolarHBondContact OG1-NE2 2.83Å; T144-Q150 VanDerWaalsContact OG1-NE2 3.12Å
145	D	88.6	Confident	92.9	Very high	23 Å²	23	36.1 Å²	36.1	12%	0.123	20%	0.2	C	C	.	.			trans	-84.2	175.3	177.4	98	-29.1	0	0	0	112.3	S126 Y143 N147 G148 L149	S126-D145 WeakPolarHBondContact OG-CA 3.39Å; Y143-D145 HydrophobicContact CE1-CB 3.69Å; D145-N147 PolarHBondContact O-N 3.4Å; D145-N147 VanDerWaalsContact OD1-CA 3.29Å; D145-N147 WeakPolarHBondContact OD1-CA 3.21Å; D145-N147 WeakPolarHBondContact OD1-CB 3.46Å; D145-N147 PolarHBondContact OD1-N 2.99Å; D145-N147 PolarHBondContact OD2-ND2 2.96Å; D145-G148 PolarHBondContact O-N 2.82Å; D145-G148 PolarHBondContact OD1-N 3.16Å; D145-L149 PolarHBondContact N-O 2.8Å; D145-L149 WeakPolarHBondContact OD1-CB 3.32Å; D145-L149 PolarHBondContact OD1-N 3.01Å
146	S	88	Confident	93.1	Very high	60 Å²	60	41.5 Å²	41.5	42%	0.42	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.6	178.9	61.5	0	0	0	0	115	N124 S126	N124-S146 WeakPolarHBondContact O-CB 3.45Å; S126-S146 PolarHBondContact OG-N 2.84Å; S126-S146 VanDerWaalsContact OG-N 3.16Å
147	N	84.8	Confident	93.2	Very high	131 Å²	131	45.1 Å²	45.1	70%	0.701	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102	-6	-177.2	-49.3	-53.5	0	0	0	112	D145	D145-N147 PolarHBondContact O-N 3.4Å; D145-N147 VanDerWaalsContact OD1-CA 3.29Å; D145-N147 WeakPolarHBondContact OD1-CA 3.21Å; D145-N147 WeakPolarHBondContact OD1-CB 3.46Å; D145-N147 PolarHBondContact OD1-N 2.99Å; D145-N147 PolarHBondContact OD2-ND2 2.96Å
148	G	85	Confident	93	Very high	20 Å²	20	44.8 Å²	44.8	21%	0.206	24%	0.243	C	C	.	.	S	Bend	trans	92	6.3	-179	0	0	0	0	0	114.9	D145	D145-G148 PolarHBondContact O-N 2.82Å; D145-G148 PolarHBondContact OD1-N 3.16Å
149	L	89.8	Confident	92.8	Very high	12 Å²	12	45.9 Å²	45.9	6%	0.063	25%	0.247	C	C	.	.			trans	-67	132.4	167.6	170.7	154.8	0	0	0	108.9	I9 I11 T144 D145 L166 N167	I9-L149 HydrophobicContact CB-CD2 3.79Å; I9-L149 HydrophobicContact CD1-CD2 3.7Å; I9-L149 HydrophobicContact CG1-CD2 4.17Å; I9-L149 HydrophobicContact CG2-CD2 4.12Å; I11-L149 HydrophobicContact CD1-CD1 3.51Å; I11-L149 HydrophobicContact CG1-CD1 3.93Å; T144-L149 CarbonylContact C-O 3.45Å; T144-L149 WeakPolarHBondContact CA-O 3.41Å; D145-L149 PolarHBondContact N-O 2.8Å; D145-L149 WeakPolarHBondContact OD1-CB 3.32Å; D145-L149 PolarHBondContact OD1-N 3.01Å; L149-L166 HydrophobicContact CD1-CD1 4.33Å; L149-L166 HydrophobicContact CD2-CD1 3.74Å; L149-L166 HydrophobicContact CG-CD1 3.89Å; L149-N167 WeakPolarHBondContact CA-O 3.18Å
150	Q	93.8	Very high	92.7	Very high	63 Å²	63	45.4 Å²	45.4	29%	0.294	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	124.5	-171.9	-176.9	179.8	83.8	0	0	112.5	T142 Y143 T144 L166 N167	T142-Q150 HydrophobicContact CG2-CG 3.72Å; Y143-Q150 CarbonylContact O-C 3.58Å; Y143-Q150 VanDerWaalsContact O-CA 3.27Å; Y143-Q150 WeakPolarHBondContact O-CA 3.26Å; T144-Q150 HydrophobicContact CG2-CB 4.49Å; T144-Q150 PolarHBondContact OG1-NE2 2.83Å; T144-Q150 VanDerWaalsContact OG1-NE2 3.12Å; Q150-L166 CarbonylContact O-C 3.58Å; Q150-L166 WeakPolarHBondContact O-CA 3.41Å; Q150-N167 HydrophobicContact CB-CB 4.46Å; Q150-N167 PolarHBondContact N-O 2.84Å; Q150-N167 PolarHBondContact O-N 3.01Å
151	Y	94.7	Very high	92.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.5	166.1	178.5	-92.4	0	0	0	110.4	T142 Y143 Q154 W155 K160 R165 L166 W180	T142-Y151 CarbonylContact C-O 3.6Å; T142-Y151 WeakPolarHBondContact CA-O 3.15Å; Y143-Y151 PolarHBondContact N-O 2.89Å; Y143-Y151 PolarHBondContact O-N 3.02Å; Y151-Q154 PolarHBondContact OH-O 2.91Å; Y151-W155 HydrophobicContact CD1-CD2 4.48Å; Y151-W155 AromaticContact CD1-CE2 3.47Å; Y151-W155 VanDerWaalsContact CD1-CE2 3.47Å; Y151-W155 HydrophobicContact CD1-CH2 4.11Å; Y151-W155 AromaticContact CD1-CZ2 3.28Å; Y151-W155 HydrophobicContact CD1-CZ2 3.28Å; Y151-W155 AromaticContact CD1-NE1 3.54Å; Y151-W155 HydrophobicContact CE1-CD2 4.29Å; Y151-W155 AromaticContact CE1-CE2 3.63Å; Y151-W155 AromaticContact CE1-CZ2 3.9Å; Y151-W155 HydrophobicContact CE1-CZ2 3.9Å; Y151-W155 AromaticContact CE1-NE1 3.49Å; Y151-W155 HydrophobicContact CG-CZ2 4.1Å; Y151-K160 HydrophobicContact CD1-CD 4.49Å; Y151-K160 HydrophobicContact CD1-CG 4.08Å; Y151-K160 HydrophobicContact CD2-CD 3.42Å; Y151-K160 VanDerWaalsContact CD2-CD 3.42Å; Y151-K160 HydrophobicContact CD2-CG 3.8Å; Y151-K160 HydrophobicContact CE1-CB 4.33Å; Y151-K160 HydrophobicContact CE1-CG 3.94Å; Y151-K160 HydrophobicContact CE2-CB 3.9Å; Y151-K160 HydrophobicContact CE2-CD 3.62Å; Y151-K160 HydrophobicContact CE2-CG 3.67Å; Y151-K160 HydrophobicContact CG-CD 3.87Å; Y151-K160 HydrophobicContact CG-CG 3.98Å; Y151-R165 CarbonylContact C-O 3.59Å; Y151-R165 WeakPolarHBondContact CA-O 3.49Å; Y151-L166 HydrophobicContact CD2-CB 4.24Å; Y151-W180 HydrophobicContact CD2-CZ2 4.26Å; Y151-W180 AromaticContact CE2-CD1 3.96Å; Y151-W180 HydrophobicContact CE2-CD2 4.06Å; Y151-W180 AromaticContact CE2-CE2 3.63Å; Y151-W180 HydrophobicContact CE2-CG 4.24Å; Y151-W180 HydrophobicContact CE2-CZ2 4.04Å; Y151-W180 AromaticContact CE2-NE1 3.58Å
152	T	96.8	Very high	92.6	Very high	43 Å²	43	43 Å²	43	26%	0.264	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.3	169.8	-65.5	0	0	0	0	109.1	F140 T142 G164 R165	F140-T152 HydrophobicContact CE1-CG2 3.99Å; F140-T152 HydrophobicContact CZ-CG2 3.93Å; T142-T152 WeakPolarHBondContact CG2-OG1 3.25Å; T142-T152 WeakPolarHBondContact OG1-CG2 3.37Å; T142-T152 PolarHBondContact OG1-OG1 3.17Å; T152-G164 CarbonylContact O-C 3.54Å; T152-G164 VanDerWaalsContact O-CA 3.29Å; T152-G164 WeakPolarHBondContact O-CA 3.24Å; T152-R165 PolarHBondContact N-O 3.1Å; T152-R165 PolarHBondContact O-N 2.88Å
153	G	97	Very high	92.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-160.9	-176.5	0	0	0	0	0	113.9	F140 G141 W155 K163	F140-G153 WeakPolarHBondContact CA-O 3.43Å; G141-G153 PolarHBondContact N-O 3.48Å; G141-G153 PolarHBondContact O-N 3.38Å; G141-G153 VanDerWaalsContact O-N 3.1Å; G153-W155 VanDerWaalsContact O-CD1 3.28Å; G153-K163 WeakPolarHBondContact CA-O 3.26Å
154	Q	97.3	Very high	92.6	Very high	88 Å²	88	47.7 Å²	47.7	41%	0.411	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	145.8	177.6	-75.8	165.7	79.1	0	0	112.4	G139 F140 Y151 Q161 K163	G139-Q154 CarbonylContact O-C 3.55Å; G139-Q154 VanDerWaalsContact O-CA 3.24Å; G139-Q154 WeakPolarHBondContact O-CA 3.48Å; F140-Q154 HydrophobicContact CD2-CG 4.17Å; Y151-Q154 PolarHBondContact OH-O 2.91Å; Q154-Q161 CarbonylContact C-O 3.52Å; Q154-Q161 WeakPolarHBondContact CB-O 3.1Å; Q154-Q161 PolarHBondContact O-N 2.92Å; Q154-K163 PolarHBondContact N-O 2.93Å
155	W	94.5	Very high	92.8	Very high	9 Å²	9	51 Å²	51	3%	0.034	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.8	179.9	-65.2	83	0	0	0	110.6	Y128 R137 H138 G139 G141 Y151 G153 G158 K159 K160	Y128-W155 HydrophobicContact CD2-CZ2 4.36Å; Y128-W155 AromaticContact CE2-CD1 3.89Å; Y128-W155 HydrophobicContact CE2-CD2 4.23Å; Y128-W155 AromaticContact CE2-CE2 3.75Å; Y128-W155 HydrophobicContact CE2-CG 4.29Å; Y128-W155 HydrophobicContact CE2-CZ2 4.21Å; Y128-W155 AromaticContact CE2-NE1 3.56Å; R137-W155 HydrophobicContact CB-CB 4.41Å; R137-W155 HydrophobicContact CB-CD2 4.24Å; R137-W155 HydrophobicContact CB-CE3 4.13Å; R137-W155 HydrophobicContact CB-CG 4.39Å; H138-W155 CarbonylContact C-O 3.52Å; H138-W155 WeakPolarHBondContact CA-O 3.23Å; G139-W155 PolarHBondContact N-O 2.99Å; G139-W155 PolarHBondContact O-N 2.91Å; G141-W155 PolarHBondContact O-NE1 2.81Å; Y151-W155 HydrophobicContact CD1-CD2 4.48Å; Y151-W155 AromaticContact CD1-CE2 3.47Å; Y151-W155 VanDerWaalsContact CD1-CE2 3.47Å; Y151-W155 HydrophobicContact CD1-CH2 4.11Å; Y151-W155 AromaticContact CD1-CZ2 3.28Å; Y151-W155 HydrophobicContact CD1-CZ2 3.28Å; Y151-W155 AromaticContact CD1-NE1 3.54Å; Y151-W155 HydrophobicContact CE1-CD2 4.29Å; Y151-W155 AromaticContact CE1-CE2 3.63Å; Y151-W155 AromaticContact CE1-CZ2 3.9Å; Y151-W155 HydrophobicContact CE1-CZ2 3.9Å; Y151-W155 AromaticContact CE1-NE1 3.49Å; Y151-W155 HydrophobicContact CG-CZ2 4.1Å; G153-W155 VanDerWaalsContact O-CD1 3.28Å; W155-G158 WeakPolarHBondContact CZ3-O 3.48Å; W155-K159 WeakPolarHBondContact CA-O 3.39Å; W155-K160 HydrophobicContact CH2-CG 4.19Å; W155-K160 HydrophobicContact CZ3-CG 4.13Å
156	K	93.5	Very high	93.1	Very high	113 Å²	113	50 Å²	50	49%	0.491	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	118.8	173.3	-172.8	178.9	178.2	-174.9	0	109.2	G158 K159 Q161	K156-G158 VanDerWaalsContact C-N 3.26Å; K156-G158 PolarHBondContact O-N 2.79Å; K156-K159 PolarHBondContact N-O 2.82Å; K156-K159 PolarHBondContact O-N 3.01Å; K156-Q161 HydrophobicContact CB-CB 3.78Å; K156-Q161 HydrophobicContact CB-CG 3.81Å; K156-Q161 HydrophobicContact CD-CG 4.12Å
157	N	90.1	Very high	93.4	Very high	100 Å²	100	48.6 Å²	48.6	54%	0.535	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	46.8	178.7	-56.4	-3.8	0	0	0	112.4	I136 K159	I136-N157 VanDerWaalsContact CG2-C 3.49Å; N157-K159 VanDerWaalsContact C-N 3.29Å; N157-K159 PolarHBondContact O-N 2.92Å
158	G	89	Confident	93.6	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.031	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-9	177.3	0	0	0	0	0	115.5	N44 I136 R137 W155 K156	N44-G158 PolarHBondContact OD1-O 2.61Å; I136-G158 VanDerWaalsContact CG2-N 3.29Å; R137-G158 PolarHBondContact NH2-O 2.76Å; R137-G158 PolarHBondContact O-N 2.86Å; W155-G158 WeakPolarHBondContact CZ3-O 3.48Å; K156-G158 VanDerWaalsContact C-N 3.26Å; K156-G158 PolarHBondContact O-N 2.79Å
159	K	90.8	Very high	93.7	Very high	87 Å²	87	45.1 Å²	45.1	38%	0.378	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	148.2	-177.7	-58.1	-174.4	-178.2	-175.6	0	111.6	W155 K156 N157	W155-K159 WeakPolarHBondContact CA-O 3.39Å; K156-K159 PolarHBondContact N-O 2.82Å; K156-K159 PolarHBondContact O-N 3.01Å; N157-K159 VanDerWaalsContact C-N 3.29Å; N157-K159 PolarHBondContact O-N 2.92Å
160	K	93.6	Very high	93.6	Very high	16 Å²	16	50.2 Å²	50.2	7%	0.07	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	130.6	171.7	-61.6	172.5	-79.1	174.2	0	108.8	Y151 W155 W180 G183	Y151-K160 HydrophobicContact CD1-CD 4.49Å; Y151-K160 HydrophobicContact CD1-CG 4.08Å; Y151-K160 HydrophobicContact CD2-CD 3.42Å; Y151-K160 VanDerWaalsContact CD2-CD 3.42Å; Y151-K160 HydrophobicContact CD2-CG 3.8Å; Y151-K160 HydrophobicContact CE1-CB 4.33Å; Y151-K160 HydrophobicContact CE1-CG 3.94Å; Y151-K160 HydrophobicContact CE2-CB 3.9Å; Y151-K160 HydrophobicContact CE2-CD 3.62Å; Y151-K160 HydrophobicContact CE2-CG 3.67Å; Y151-K160 HydrophobicContact CG-CD 3.87Å; Y151-K160 HydrophobicContact CG-CG 3.98Å; W155-K160 HydrophobicContact CH2-CG 4.19Å; W155-K160 HydrophobicContact CZ3-CG 4.13Å; K160-W180 HydrophobicContact CB-CB 4.25Å; K160-W180 HydrophobicContact CB-CD2 4.1Å; K160-W180 HydrophobicContact CB-CE3 4Å; K160-W180 HydrophobicContact CB-CG 4.22Å; K160-W180 HydrophobicContact CD-CD2 4.38Å; K160-W180 HydrophobicContact CD-CE3 3.99Å; K160-W180 HydrophobicContact CD-CH2 4.22Å; K160-W180 HydrophobicContact CD-CZ3 3.94Å; K160-G183 WeakPolarHBondContact CE-O 3.44Å; K160-G183 PolarHBondContact NZ-O 3.1Å; K160-G183 PolarHBondContact O-N 2.82Å
161	Q	94.7	Very high	93.4	Very high	41 Å²	41	52.8 Å²	52.8	19%	0.192	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	159.1	-173.6	-167.9	68.6	32.8	0	0	109.6	Q154 K156 W180 D181	Q154-Q161 CarbonylContact C-O 3.52Å; Q154-Q161 WeakPolarHBondContact CB-O 3.1Å; Q154-Q161 PolarHBondContact O-N 2.92Å; K156-Q161 HydrophobicContact CB-CB 3.78Å; K156-Q161 HydrophobicContact CB-CG 3.81Å; K156-Q161 HydrophobicContact CD-CG 4.12Å; Q161-W180 CarbonylContact C-O 3.58Å; Q161-W180 WeakPolarHBondContact CA-O 2.93Å; Q161-D181 PolarHBondContact NE2-OD1 3.25Å
162	G	96.5	Very high	92.9	Very high	22 Å²	22	54 Å²	54	23%	0.227	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	62	-139.1	171.5	0	0	0	0	0	111.5	E179 W180	G162-E179 CarbonylContact O-C 3.49Å; G162-E179 VanDerWaalsContact O-CA 3.29Å; G162-E179 WeakPolarHBondContact O-CA 3Å; G162-W180 PolarHBondContact N-O 3.01Å; G162-W180 PolarHBondContact O-N 2.76Å
163	K	97.4	Very high	92.4	Very high	131 Å²	131	54.3 Å²	54.3	57%	0.57	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	137.1	179.5	-62.5	-168.1	174.7	-164.6	0	111.8	G153 Q154 G178 E179	G153-K163 WeakPolarHBondContact CA-O 3.26Å; Q154-K163 PolarHBondContact N-O 2.93Å; K163-G178 WeakPolarHBondContact CA-O 3.19Å; K163-E179 WeakPolarHBondContact CE-OE1 3.34Å; K163-E179 HydrophobicContact CG-CG 3.97Å; K163-E179 IonicContact NZ-OE1 3.94Å
164	G	96.4	Very high	92.1	Very high	6 Å²	6	54.8 Å²	54.8	6%	0.062	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	157.7	175.4	0	0	0	0	0	114.1	T152 G178 W180	T152-G164 CarbonylContact O-C 3.54Å; T152-G164 VanDerWaalsContact O-CA 3.29Å; T152-G164 WeakPolarHBondContact O-CA 3.24Å; G164-G178 PolarHBondContact N-O 2.82Å; G164-G178 PolarHBondContact O-N 3.32Å; G164-W180 PolarHBondContact O-NE1 3.1Å
165	R	96.5	Very high	91.9	Very high	102 Å²	102	51.8 Å²	51.8	39%	0.385	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133	176.1	-176.7	-178.3	-72.5	-143.1	-4.9	110.7	Y151 T152 N167 Y176 D177	Y151-R165 CarbonylContact C-O 3.59Å; Y151-R165 WeakPolarHBondContact CA-O 3.49Å; T152-R165 PolarHBondContact N-O 3.1Å; T152-R165 PolarHBondContact O-N 2.88Å; R165-N167 WeakPolarHBondContact CD-OD1 3.38Å; R165-Y176 CarbonylContact C-O 3.53Å; R165-Y176 WeakPolarHBondContact CA-O 3.4Å; R165-Y176 WeakPolarHBondContact CG-O 3.33Å; R165-D177 HydrophobicContact CB-CB 4.41Å; R165-D177 HydrophobicContact CG-CB 4.24Å; R165-D177 IonicContact CZ-OD2 3.23Å; R165-D177 IonicContact NE-OD2 3Å; R165-D177 PolarHBondContact NE-OD2 2.86Å; R165-D177 IonicContact NH2-OD2 3.03Å; R165-D177 PolarHBondContact NH2-OD2 2.84Å
166	L	95	Very high	91.8	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.7	169.2	177.3	57.9	0	0	0	109.1	I9 L149 Q150 Y151 Y168 H175 Y176 W180	I9-L166 HydrophobicContact CD1-CD1 4.45Å; I9-L166 HydrophobicContact CG2-CD2 4.41Å; L149-L166 HydrophobicContact CD1-CD1 4.33Å; L149-L166 HydrophobicContact CD2-CD1 3.74Å; L149-L166 HydrophobicContact CG-CD1 3.89Å; Q150-L166 CarbonylContact O-C 3.58Å; Q150-L166 WeakPolarHBondContact O-CA 3.41Å; Y151-L166 HydrophobicContact CD2-CB 4.24Å; L166-Y168 HydrophobicContact CD2-CD1 4.31Å; L166-Y168 HydrophobicContact CD2-CE1 3.58Å; L166-Y168 HydrophobicContact CD2-CE2 4.33Å; L166-Y168 HydrophobicContact CG-CD1 4.39Å; L166-Y168 HydrophobicContact CG-CE1 4.05Å; L166-Y168 HydrophobicContact CG-CE2 4.22Å; L166-H175 CarbonylContact O-C 3.56Å; L166-H175 VanDerWaalsContact O-CA 3.22Å; L166-H175 WeakPolarHBondContact O-CA 3.27Å; L166-H175 WeakPolarHBondContact O-CB 3.36Å; L166-Y176 PolarHBondContact N-O 3.44Å; L166-Y176 PolarHBondContact O-N 2.79Å; L166-W180 HydrophobicContact CB-CH2 4.01Å; L166-W180 HydrophobicContact CB-CZ2 3.67Å; L166-W180 HydrophobicContact CD2-CH2 3.68Å; L166-W180 HydrophobicContact CD2-CZ2 4.24Å
167	N	93.5	Very high	91.8	Very high	31 Å²	31	48.9 Å²	48.9	17%	0.166	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.9	169.1	-56.9	-36.8	0	0	0	108.1	L149 Q150 R165 H175	L149-N167 WeakPolarHBondContact CA-O 3.18Å; Q150-N167 HydrophobicContact CB-CB 4.46Å; Q150-N167 PolarHBondContact N-O 2.84Å; Q150-N167 PolarHBondContact O-N 3.01Å; R165-N167 WeakPolarHBondContact CD-OD1 3.38Å; N167-H175 WeakPolarHBondContact OD1-CB 3.43Å
168	Y	89	Confident	92.1	Very high	33 Å²	33	44.6 Å²	44.6	13%	0.129	24%	0.242	C	C	.	.	S	Bend	trans	-83.7	-27.2	177.1	-61.5	-86.8	0	0	0	111.7	I11 L166 S174 R185 Y191	I11-Y168 HydrophobicContact CD1-CD1 4Å; I11-Y168 HydrophobicContact CD1-CE1 4.29Å; I11-Y168 HydrophobicContact CG1-CD1 4.29Å; I11-Y168 HydrophobicContact CG1-CE1 4.09Å; I11-Y168 HydrophobicContact CG2-CD1 4.35Å; I11-Y168 HydrophobicContact CG2-CE1 3.75Å; L166-Y168 HydrophobicContact CD2-CD1 4.31Å; L166-Y168 HydrophobicContact CD2-CE1 3.58Å; L166-Y168 HydrophobicContact CD2-CE2 4.33Å; L166-Y168 HydrophobicContact CG-CD1 4.39Å; L166-Y168 HydrophobicContact CG-CE1 4.05Å; L166-Y168 HydrophobicContact CG-CE2 4.22Å; Y168-S174 PolarHBondContact N-O 2.88Å; Y168-R185 PolarHBondContact OH-NH1 3.08Å; Y168-Y191 HydrophobicContact CD2-CE2 4.41Å; Y168-Y191 HydrophobicContact CE2-CD2 4.38Å; Y168-Y191 AromaticContact CE2-CE2 3.46Å; Y168-Y191 HydrophobicContact CE2-CE2 3.46Å; Y168-Y191 VanDerWaalsContact CE2-CE2 3.46Å; Y168-Y191 AromaticContact CE2-CZ 3.57Å; Y168-Y191 WeakPolarHBondContact CE2-OH 3.4Å; Y168-Y191 AromaticContact CZ-CE2 3.69Å; Y168-Y191 WeakPolarHBondContact OH-CE2 3.41Å
169	T	87.6	Confident	92.4	Very high	45 Å²	45	47.9 Å²	47.9	28%	0.276	26%	0.256	S	S	.	.	S	Bend	trans	-121.9	148.7	177.7	59.2	0	0	0	0	111.4	D171 G172 S173 S174	T169-D171 VanDerWaalsContact C-N 3.25Å; T169-D171 WeakPolarHBondContact CB-OD1 3.35Å; T169-D171 PolarHBondContact O-N 3.12Å; T169-D171 PolarHBondContact OG1-OD1 2.74Å; T169-G172 PolarHBondContact O-N 2.87Å; T169-G172 VanDerWaalsContact O-N 3.11Å; T169-S173 PolarHBondContact OG1-N 3Å; T169-S173 PolarHBondContact OG1-OG 2.73Å; T169-S174 PolarHBondContact N-O 3.15Å; T169-S174 PolarHBondContact OG1-N 2.99Å; T169-S174 VanDerWaalsContact OG1-N 3.07Å
170	T	87.3	Confident	92.6	Very high	119 Å²	119	44.2 Å²	44.2	73%	0.73	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-20.4	-178.5	48.6	0	0	0	0	114.2	G172	T170-G172 VanDerWaalsContact C-N 3.34Å
171	D	89.6	Confident	92.6	Very high	117 Å²	117	46.6 Å²	46.6	63%	0.626	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-7.1	173.8	70.7	-16	0	0	0	113.2	T169 S173	T169-D171 VanDerWaalsContact C-N 3.25Å; T169-D171 WeakPolarHBondContact CB-OD1 3.35Å; T169-D171 PolarHBondContact O-N 3.12Å; T169-D171 PolarHBondContact OG1-OD1 2.74Å; D171-S173 VanDerWaalsContact C-N 3.26Å; D171-S173 VanDerWaalsContact CG-OG 3.24Å; D171-S173 PolarHBondContact O-N 2.83Å; D171-S173 WeakPolarHBondContact OD1-CB 3.45Å; D171-S173 PolarHBondContact OD1-N 3.1Å; D171-S173 PolarHBondContact OD1-OG 3.31Å; D171-S173 VanDerWaalsContact OD2-CB 3.32Å; D171-S173 WeakPolarHBondContact OD2-CB 3.49Å; D171-S173 PolarHBondContact OD2-OG 3.03Å
172	G	85.2	Confident	92.4	Very high	26 Å²	26	47.9 Å²	47.9	27%	0.268	27%	0.267	S	S	.	.	S	Bend	trans	72.7	8.5	-175.9	0	0	0	0	0	115.2	T169 T170 S174 H175	T169-G172 PolarHBondContact O-N 2.87Å; T169-G172 VanDerWaalsContact O-N 3.11Å; T170-G172 VanDerWaalsContact C-N 3.34Å; G172-S174 VanDerWaalsContact C-N 3.32Å; G172-S174 PolarHBondContact O-N 3.28Å; G172-H175 PolarHBondContact O-ND1 3.46Å
173	S	85.9	Confident	92.1	Very high	50 Å²	50	47.7 Å²	47.7	35%	0.35	27%	0.266	S	S	.	.	S	Bend	trans	-63.7	-35.5	178.8	60.1	0	0	0	0	113	T169 D171	T169-S173 PolarHBondContact OG1-N 3Å; T169-S173 PolarHBondContact OG1-OG 2.73Å; D171-S173 VanDerWaalsContact C-N 3.26Å; D171-S173 VanDerWaalsContact CG-OG 3.24Å; D171-S173 PolarHBondContact O-N 2.83Å; D171-S173 WeakPolarHBondContact OD1-CB 3.45Å; D171-S173 PolarHBondContact OD1-N 3.1Å; D171-S173 PolarHBondContact OD1-OG 3.31Å; D171-S173 VanDerWaalsContact OD2-CB 3.32Å; D171-S173 WeakPolarHBondContact OD2-CB 3.49Å; D171-S173 PolarHBondContact OD2-OG 3.03Å
174	S	90.3	Very high	91.8	Very high	11 Å²	11	44.3 Å²	44.3	8%	0.077	25%	0.253	C	S	.	.	S	Bend	trans	-112.7	116.8	170.7	-173.2	0	0	0	0	110.5	Y168 T169 G172 H192	Y168-S174 PolarHBondContact N-O 2.88Å; T169-S174 PolarHBondContact N-O 3.15Å; T169-S174 PolarHBondContact OG1-N 2.99Å; T169-S174 VanDerWaalsContact OG1-N 3.07Å; G172-S174 VanDerWaalsContact C-N 3.32Å; G172-S174 PolarHBondContact O-N 3.28Å; S174-H192 CarbonylContact C-O 3.59Å; S174-H192 VanDerWaalsContact CA-O 3.28Å; S174-H192 WeakPolarHBondContact CA-O 3.34Å; S174-H192 PolarHBondContact OG-O 3.2Å
175	H	92.7	Very high	91.7	Very high	25 Å²	25	44.5 Å²	44.5	12%	0.116	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	150	178.5	68.3	-87.4	0	0	0	113.2	L166 N167 G172 Y191 H192	L166-H175 CarbonylContact O-C 3.56Å; L166-H175 VanDerWaalsContact O-CA 3.22Å; L166-H175 WeakPolarHBondContact O-CA 3.27Å; L166-H175 WeakPolarHBondContact O-CB 3.36Å; N167-H175 WeakPolarHBondContact OD1-CB 3.43Å; G172-H175 PolarHBondContact O-ND1 3.46Å; H175-Y191 WeakPolarHBondContact O-CA 3.45Å; H175-H192 AromaticContact CD2-CD2 3.92Å; H175-H192 AromaticContact CE1-CD2 3.35Å; H175-H192 PolarHBondContact CE1-CD2 3.43Å; H175-H192 AromaticContact CE1-CG 3.59Å; H175-H192 PolarHBondContact N-O 3.21Å; H175-H192 AromaticContact NE2-CD2 3.24Å; H175-H192 PolarHBondContact NE2-CD2 3.22Å; H175-H192 AromaticContact NE2-CG 3.96Å; H175-H192 AromaticContact NE2-NE2 3.91Å; H175-H192 PolarHBondContact O-N 2.79Å
176	Y	93.9	Very high	91.6	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.1	168.3	175.8	-94.4	0	0	0	110.2	R165 L166 E179 W180 R185 V190 Y191 W203	R165-Y176 CarbonylContact C-O 3.53Å; R165-Y176 WeakPolarHBondContact CA-O 3.4Å; R165-Y176 WeakPolarHBondContact CG-O 3.33Å; L166-Y176 PolarHBondContact N-O 3.44Å; L166-Y176 PolarHBondContact O-N 2.79Å; Y176-E179 PolarHBondContact OH-N 2.84Å; Y176-E179 PolarHBondContact OH-O 3.07Å; Y176-E179 VanDerWaalsContact OH-O 3.1Å; Y176-W180 AromaticContact CD1-CE2 3.67Å; Y176-W180 HydrophobicContact CD1-CH2 4.16Å; Y176-W180 AromaticContact CD1-CZ2 3.36Å; Y176-W180 HydrophobicContact CD1-CZ2 3.36Å; Y176-W180 AromaticContact CD1-NE1 3.77Å; Y176-W180 HydrophobicContact CE1-CD2 4.44Å; Y176-W180 AromaticContact CE1-CE2 3.68Å; Y176-W180 AromaticContact CE1-CZ2 3.82Å; Y176-W180 HydrophobicContact CE1-CZ2 3.82Å; Y176-W180 AromaticContact CE1-NE1 3.58Å; Y176-W180 HydrophobicContact CG-CZ2 4.32Å; Y176-R185 HydrophobicContact CD1-CG 4.16Å; Y176-R185 HydrophobicContact CD2-CG 4.18Å; Y176-R185 HydrophobicContact CE1-CB 4.4Å; Y176-R185 HydrophobicContact CE1-CG 3.95Å; Y176-R185 HydrophobicContact CE2-CB 4.27Å; Y176-R185 HydrophobicContact CE2-CG 4Å; Y176-R185 HydrophobicContact CG-CG 4.23Å; Y176-V190 CarbonylContact C-O 3.53Å; Y176-V190 WeakPolarHBondContact CA-O 3.29Å; Y176-Y191 AromaticContact CD2-CD2 3.9Å; Y176-Y191 HydrophobicContact CD2-CD2 3.9Å; Y176-Y191 HydrophobicContact CD2-CG 4.48Å; Y176-Y191 HydrophobicContact CG-CD2 4.37Å; Y176-W203 HydrophobicContact CD2-CZ2 4.22Å; Y176-W203 AromaticContact CE2-CD1 3.94Å; Y176-W203 HydrophobicContact CE2-CD2 4.02Å; Y176-W203 AromaticContact CE2-CE2 3.6Å; Y176-W203 HydrophobicContact CE2-CG 4.22Å; Y176-W203 AromaticContact CE2-CZ2 4Å; Y176-W203 HydrophobicContact CE2-CZ2 4Å; Y176-W203 AromaticContact CE2-NE1 3.56Å
177	D	93.4	Very high	91.6	Very high	61 Å²	61	43.8 Å²	43.8	33%	0.326	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.4	170.7	-163.1	-24.8	0	0	0	109.5	R165 G189 V190	R165-D177 HydrophobicContact CB-CB 4.41Å; R165-D177 HydrophobicContact CG-CB 4.24Å; R165-D177 IonicContact CZ-OD2 3.23Å; R165-D177 IonicContact NE-OD2 3Å; R165-D177 PolarHBondContact NE-OD2 2.86Å; R165-D177 IonicContact NH2-OD2 3.03Å; R165-D177 PolarHBondContact NH2-OD2 2.84Å; D177-G189 CarbonylContact O-C 3.44Å; D177-G189 VanDerWaalsContact O-CA 3.31Å; D177-G189 WeakPolarHBondContact O-CA 3.46Å; D177-V190 PolarHBondContact N-O 3.05Å; D177-V190 PolarHBondContact O-N 2.98Å
178	G	95.1	Very high	91.6	Very high	10 Å²	10	47.8 Å²	47.8	10%	0.103	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171	-155.2	-173.9	0	0	0	0	0	114.7	K163 G164 Y188	K163-G178 WeakPolarHBondContact CA-O 3.19Å; G164-G178 PolarHBondContact N-O 2.82Å; G164-G178 PolarHBondContact O-N 3.32Å; G178-Y188 WeakPolarHBondContact CA-O 3.33Å
179	E	97	Very high	91.8	Very high	71 Å²	71	46.2 Å²	46.2	33%	0.332	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	149.1	-177.7	-77.3	170.4	-149.3	0	0	113.2	G162 K163 Y176 H186 Y188	G162-E179 CarbonylContact O-C 3.49Å; G162-E179 VanDerWaalsContact O-CA 3.29Å; G162-E179 WeakPolarHBondContact O-CA 3Å; K163-E179 WeakPolarHBondContact CE-OE1 3.34Å; K163-E179 HydrophobicContact CG-CG 3.97Å; K163-E179 IonicContact NZ-OE1 3.94Å; Y176-E179 PolarHBondContact OH-N 2.84Å; Y176-E179 PolarHBondContact OH-O 3.07Å; Y176-E179 VanDerWaalsContact OH-O 3.1Å; E179-H186 CarbonylContact C-O 3.53Å; E179-H186 WeakPolarHBondContact CA-O 3.41Å; E179-H186 WeakPolarHBondContact CB-O 3.28Å; E179-H186 PolarHBondContact O-N 2.97Å; E179-Y188 PolarHBondContact N-O 3.44Å
180	W	94.3	Very high	91.9	Very high	11 Å²	11	45.8 Å²	45.8	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.5	-175.2	-63	82.7	0	0	0	109.7	Y151 K160 Q161 G162 G164 L166 Y176 G183 L184 R185	Y151-W180 HydrophobicContact CD2-CZ2 4.26Å; Y151-W180 AromaticContact CE2-CD1 3.96Å; Y151-W180 HydrophobicContact CE2-CD2 4.06Å; Y151-W180 AromaticContact CE2-CE2 3.63Å; Y151-W180 HydrophobicContact CE2-CG 4.24Å; Y151-W180 HydrophobicContact CE2-CZ2 4.04Å; Y151-W180 AromaticContact CE2-NE1 3.58Å; K160-W180 HydrophobicContact CB-CB 4.25Å; K160-W180 HydrophobicContact CB-CD2 4.1Å; K160-W180 HydrophobicContact CB-CE3 4Å; K160-W180 HydrophobicContact CB-CG 4.22Å; K160-W180 HydrophobicContact CD-CD2 4.38Å; K160-W180 HydrophobicContact CD-CE3 3.99Å; K160-W180 HydrophobicContact CD-CH2 4.22Å; K160-W180 HydrophobicContact CD-CZ3 3.94Å; Q161-W180 CarbonylContact C-O 3.58Å; Q161-W180 WeakPolarHBondContact CA-O 2.93Å; G162-W180 PolarHBondContact N-O 3.01Å; G162-W180 PolarHBondContact O-N 2.76Å; G164-W180 PolarHBondContact O-NE1 3.1Å; L166-W180 HydrophobicContact CB-CH2 4.01Å; L166-W180 HydrophobicContact CB-CZ2 3.67Å; L166-W180 HydrophobicContact CD2-CH2 3.68Å; L166-W180 HydrophobicContact CD2-CZ2 4.24Å; Y176-W180 AromaticContact CD1-CE2 3.67Å; Y176-W180 HydrophobicContact CD1-CH2 4.16Å; Y176-W180 AromaticContact CD1-CZ2 3.36Å; Y176-W180 HydrophobicContact CD1-CZ2 3.36Å; Y176-W180 AromaticContact CD1-NE1 3.77Å; Y176-W180 HydrophobicContact CE1-CD2 4.44Å; Y176-W180 AromaticContact CE1-CE2 3.68Å; Y176-W180 AromaticContact CE1-CZ2 3.82Å; Y176-W180 HydrophobicContact CE1-CZ2 3.82Å; Y176-W180 AromaticContact CE1-NE1 3.58Å; Y176-W180 HydrophobicContact CG-CZ2 4.32Å; W180-G183 WeakPolarHBondContact CZ3-O 3.34Å; W180-L184 CarbonylContact C-O 3.53Å; W180-L184 VanDerWaalsContact CA-O 3.25Å; W180-L184 WeakPolarHBondContact CA-O 3.29Å; W180-R185 HydrophobicContact CE3-CG 4.46Å; W180-R185 HydrophobicContact CH2-CG 3.93Å; W180-R185 HydrophobicContact CZ2-CG 4.47Å; W180-R185 HydrophobicContact CZ3-CG 3.91Å
181	D	93.5	Very high	92.2	Very high	66 Å²	66	40.4 Å²	40.4	35%	0.353	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.6	166	-173.5	64.9	0	0	0	110.3	Q161 G183 L184 H186	Q161-D181 PolarHBondContact NE2-OD1 3.25Å; D181-G183 PolarHBondContact O-N 3.44Å; D181-L184 PolarHBondContact N-O 2.97Å; D181-L184 PolarHBondContact O-N 2.86Å; D181-H186 HydrophobicContact CB-CB 3.94Å
182	S	91.3	Very high	92.2	Very high	68 Å²	68	38.1 Å²	38.1	48%	0.476	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	25.4	173.2	-56.8	0	0	0	0	115
183	G	89.5	Confident	92.4	Very high	18 Å²	18	38.8 Å²	38.8	19%	0.186	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.8	-13.6	-177.2	0	0	0	0	0	115.9	K160 W180 D181	K160-G183 WeakPolarHBondContact CE-O 3.44Å; K160-G183 PolarHBondContact NZ-O 3.1Å; K160-G183 PolarHBondContact O-N 2.82Å; W180-G183 WeakPolarHBondContact CZ3-O 3.34Å; D181-G183 PolarHBondContact O-N 3.44Å
184	L	91.6	Very high	92.4	Very high	60 Å²	60	40.2 Å²	40.2	31%	0.314	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	152.2	-173.6	-58	-178.5	0	0	0	112.3	L12 W180 D181 H186	L12-L184 HydrophobicContact CD1-CD2 3.7Å; W180-L184 CarbonylContact C-O 3.53Å; W180-L184 VanDerWaalsContact CA-O 3.25Å; W180-L184 WeakPolarHBondContact CA-O 3.29Å; D181-L184 PolarHBondContact N-O 2.97Å; D181-L184 PolarHBondContact O-N 2.86Å; L184-H186 PolarHBondContact O-N 2.75Å
185	R	93.7	Very high	92	Very high	9 Å²	9	43.1 Å²	43.1	3%	0.034	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	127.2	169.7	-61.2	177.6	-68.6	-119.3	-1	108.9	L12 D13 D14 Y168 Y176 W180 W203 G206	L12-R185 PolarHBondContact O-NH2 2.84Å; D13-R185 IonicContact OD1-CZ 2.92Å; D13-R185 IonicContact OD1-NH1 3.21Å; D13-R185 PolarHBondContact OD1-NH1 3.21Å; D13-R185 IonicContact OD1-NH2 2.68Å; D14-R185 IonicContact OD2-NH2 3.34Å; Y168-R185 PolarHBondContact OH-NH1 3.08Å; Y176-R185 HydrophobicContact CD1-CG 4.16Å; Y176-R185 HydrophobicContact CD2-CG 4.18Å; Y176-R185 HydrophobicContact CE1-CB 4.4Å; Y176-R185 HydrophobicContact CE1-CG 3.95Å; Y176-R185 HydrophobicContact CE2-CB 4.27Å; Y176-R185 HydrophobicContact CE2-CG 4Å; Y176-R185 HydrophobicContact CG-CG 4.23Å; W180-R185 HydrophobicContact CE3-CG 4.46Å; W180-R185 HydrophobicContact CH2-CG 3.93Å; W180-R185 HydrophobicContact CZ2-CG 4.47Å; W180-R185 HydrophobicContact CZ3-CG 3.91Å; R185-W203 HydrophobicContact CB-CB 4.22Å; R185-W203 HydrophobicContact CB-CD2 4.15Å; R185-W203 HydrophobicContact CB-CE3 3.91Å; R185-W203 HydrophobicContact CB-CG 4.29Å; R185-G206 VanDerWaalsContact CZ-O 3.3Å; R185-G206 PolarHBondContact NE-O 3.07Å; R185-G206 PolarHBondContact NH2-O 3.44Å; R185-G206 PolarHBondContact O-N 3.15Å
186	H	94.2	Very high	91.5	Very high	70 Å²	70	51.3 Å²	51.3	32%	0.324	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	166.9	-176.9	-159.7	95	0	0	0	109.7	E179 D181 L184 W203	E179-H186 CarbonylContact C-O 3.53Å; E179-H186 WeakPolarHBondContact CA-O 3.41Å; E179-H186 WeakPolarHBondContact CB-O 3.28Å; E179-H186 PolarHBondContact O-N 2.97Å; D181-H186 HydrophobicContact CB-CB 3.94Å; L184-H186 PolarHBondContact O-N 2.75Å; H186-W203 CarbonylContact C-O 3.59Å; H186-W203 WeakPolarHBondContact CA-O 3.45Å
187	G	94.8	Very high	91.1	Very high	19 Å²	19	51.4 Å²	51.4	20%	0.196	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	66.9	-138.3	174.1	0	0	0	0	0	111.7	Q202 W203	G187-Q202 CarbonylContact O-C 3.55Å; G187-Q202 VanDerWaalsContact O-CA 3.28Å; G187-Q202 WeakPolarHBondContact O-CA 3.09Å; G187-W203 PolarHBondContact N-O 3.23Å; G187-W203 PolarHBondContact O-N 3.35Å
188	Y	93.8	Very high	90.6	Very high	114 Å²	114	50.4 Å²	50.4	45%	0.447	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	143.3	176.9	-165.5	-93.6	0	0	0	111.8	G178 E179 E200	G178-Y188 WeakPolarHBondContact CA-O 3.33Å; E179-Y188 PolarHBondContact N-O 3.44Å; Y188-E200 HydrophobicContact CE1-CG 4.25Å; Y188-E200 WeakPolarHBondContact OH-CG 3.32Å; Y188-E200 PolarHBondContact OH-OE1 3.26Å; Y188-E200 VanDerWaalsContact OH-OE1 3.12Å
189	G	92.7	Very high	90.3	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	157.6	173.8	0	0	0	0	0	115.1	D177 G201 W203	D177-G189 CarbonylContact O-C 3.44Å; D177-G189 VanDerWaalsContact O-CA 3.31Å; D177-G189 WeakPolarHBondContact O-CA 3.46Å; G189-G201 PolarHBondContact N-O 2.99Å; G189-G201 PolarHBondContact O-N 3.3Å; G189-W203 PolarHBondContact O-NE1 3.17Å
190	V	91	Very high	89.9	Confident	35 Å²	35	51.2 Å²	51.2	21%	0.212	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.5	177.4	-173.4	0	0	0	0	109.2	Y176 D177 Y199 E200	Y176-V190 CarbonylContact C-O 3.53Å; Y176-V190 WeakPolarHBondContact CA-O 3.29Å; D177-V190 PolarHBondContact N-O 3.05Å; D177-V190 PolarHBondContact O-N 2.98Å; V190-Y199 CarbonylContact C-O 3.58Å; V190-Y199 VanDerWaalsContact CA-O 3.28Å; V190-Y199 WeakPolarHBondContact CA-O 3.48Å; V190-E200 HydrophobicContact CG2-CB 4.21Å; V190-E200 HydrophobicContact CG2-CG 4.01Å
191	Y	93.7	Very high	89.5	Confident	7 Å²	7	50.8 Å²	50.8	3%	0.027	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.9	174.5	-165.1	-66.7	0	0	0	109.3	Y168 H175 Y176 Y193 T198 Y199 W203	Y168-Y191 HydrophobicContact CD2-CE2 4.41Å; Y168-Y191 HydrophobicContact CE2-CD2 4.38Å; Y168-Y191 AromaticContact CE2-CE2 3.46Å; Y168-Y191 HydrophobicContact CE2-CE2 3.46Å; Y168-Y191 VanDerWaalsContact CE2-CE2 3.46Å; Y168-Y191 AromaticContact CE2-CZ 3.57Å; Y168-Y191 WeakPolarHBondContact CE2-OH 3.4Å; Y168-Y191 AromaticContact CZ-CE2 3.69Å; Y168-Y191 WeakPolarHBondContact OH-CE2 3.41Å; H175-Y191 WeakPolarHBondContact O-CA 3.45Å; Y176-Y191 AromaticContact CD2-CD2 3.9Å; Y176-Y191 HydrophobicContact CD2-CD2 3.9Å; Y176-Y191 HydrophobicContact CD2-CG 4.48Å; Y176-Y191 HydrophobicContact CG-CD2 4.37Å; Y191-Y193 AromaticContact CD1-CD1 3.77Å; Y191-Y193 HydrophobicContact CD1-CD1 3.77Å; Y191-Y193 AromaticContact CD1-CD2 3.51Å; Y191-Y193 HydrophobicContact CD1-CD2 3.51Å; Y191-Y193 AromaticContact CD1-CE1 3.74Å; Y191-Y193 HydrophobicContact CD1-CE1 3.74Å; Y191-Y193 AromaticContact CD1-CE2 3.48Å; Y191-Y193 HydrophobicContact CD1-CE2 3.48Å; Y191-Y193 VanDerWaalsContact CD1-CE2 3.48Å; Y191-Y193 AromaticContact CD1-CG 3.65Å; Y191-Y193 HydrophobicContact CD1-CG 3.65Å; Y191-Y193 AromaticContact CD1-CZ 3.59Å; Y191-Y193 AromaticContact CE1-CD1 3.44Å; Y191-Y193 HydrophobicContact CE1-CD1 3.44Å; Y191-Y193 VanDerWaalsContact CE1-CD1 3.44Å; Y191-Y193 HydrophobicContact CE1-CD2 4.04Å; Y191-Y193 AromaticContact CE1-CE1 3.61Å; Y191-Y193 HydrophobicContact CE1-CE1 3.61Å; Y191-Y193 HydrophobicContact CE1-CE2 4.19Å; Y191-Y193 AromaticContact CE1-CG 3.66Å; Y191-Y193 HydrophobicContact CE1-CG 3.66Å; Y191-Y193 AromaticContact CE1-CZ 3.98Å; Y191-Y193 HydrophobicContact CG-CE2 4.1Å; Y191-T198 CarbonylContact O-C 3.44Å; Y191-T198 VanDerWaalsContact O-CA 3.29Å; Y191-T198 WeakPolarHBondContact O-CA 3.16Å; Y191-Y199 PolarHBondContact N-O 3.33Å; Y191-Y199 PolarHBondContact O-N 3.06Å; Y191-W203 HydrophobicContact CD2-CH2 4Å; Y191-W203 HydrophobicContact CD2-CZ2 4.32Å; Y191-W203 HydrophobicContact CG-CH2 4.34Å; Y191-W203 HydrophobicContact CG-CZ2 4.42Å
192	H	89.4	Confident	89.4	Confident	69 Å²	69	52.1 Å²	52.1	32%	0.319	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.2	167.4	-67	-92.2	0	0	0	108.8	S174 H175 T198	S174-H192 CarbonylContact C-O 3.59Å; S174-H192 VanDerWaalsContact CA-O 3.28Å; S174-H192 WeakPolarHBondContact CA-O 3.34Å; S174-H192 PolarHBondContact OG-O 3.2Å; H175-H192 AromaticContact CD2-CD2 3.92Å; H175-H192 AromaticContact CE1-CD2 3.35Å; H175-H192 PolarHBondContact CE1-CD2 3.43Å; H175-H192 AromaticContact CE1-CG 3.59Å; H175-H192 PolarHBondContact N-O 3.21Å; H175-H192 AromaticContact NE2-CD2 3.24Å; H175-H192 PolarHBondContact NE2-CD2 3.22Å; H175-H192 AromaticContact NE2-CG 3.96Å; H175-H192 AromaticContact NE2-NE2 3.91Å; H175-H192 PolarHBondContact O-N 2.79Å; H192-T198 VanDerWaalsContact ND1-CG2 3.32Å; H192-T198 WeakPolarHBondContact ND1-CG2 3.18Å
193	Y	88.8	Confident	89.5	Confident	39 Å²	39	49.2 Å²	49.2	15%	0.153	24%	0.244	C	C	.	.			trans	-92	154.2	178	-64.6	-96.8	0	0	0	110.7	Y191 N195 R196 A197 M214	Y191-Y193 AromaticContact CD1-CD1 3.77Å; Y191-Y193 HydrophobicContact CD1-CD1 3.77Å; Y191-Y193 AromaticContact CD1-CD2 3.51Å; Y191-Y193 HydrophobicContact CD1-CD2 3.51Å; Y191-Y193 AromaticContact CD1-CE1 3.74Å; Y191-Y193 HydrophobicContact CD1-CE1 3.74Å; Y191-Y193 AromaticContact CD1-CE2 3.48Å; Y191-Y193 HydrophobicContact CD1-CE2 3.48Å; Y191-Y193 VanDerWaalsContact CD1-CE2 3.48Å; Y191-Y193 AromaticContact CD1-CG 3.65Å; Y191-Y193 HydrophobicContact CD1-CG 3.65Å; Y191-Y193 AromaticContact CD1-CZ 3.59Å; Y191-Y193 AromaticContact CE1-CD1 3.44Å; Y191-Y193 HydrophobicContact CE1-CD1 3.44Å; Y191-Y193 VanDerWaalsContact CE1-CD1 3.44Å; Y191-Y193 HydrophobicContact CE1-CD2 4.04Å; Y191-Y193 AromaticContact CE1-CE1 3.61Å; Y191-Y193 HydrophobicContact CE1-CE1 3.61Å; Y191-Y193 HydrophobicContact CE1-CE2 4.19Å; Y191-Y193 AromaticContact CE1-CG 3.66Å; Y191-Y193 HydrophobicContact CE1-CG 3.66Å; Y191-Y193 AromaticContact CE1-CZ 3.98Å; Y191-Y193 HydrophobicContact CG-CE2 4.1Å; Y193-N195 WeakPolarHBondContact CB-OD1 3.5Å; Y193-N195 PolarHBondContact O-N 2.98Å; Y193-R196 WeakPolarHBondContact O-CA 3.43Å; Y193-R196 PolarHBondContact O-N 2.94Å; Y193-A197 HydrophobicContact CD2-CB 3.99Å; Y193-A197 WeakPolarHBondContact CD2-O 3.34Å; Y193-A197 HydrophobicContact CG-CB 4.3Å; Y193-A197 PolarHBondContact N-O 3.28Å; Y193-M214 HydrophobicContact CE2-CE 3.7Å; Y193-M214 HydrophobicContact CE2-SD 4.08Å
194	S	85.8	Confident	89.7	Confident	80 Å²	80	52.8 Å²	52.8	56%	0.559	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.5	177.7	52.4	0	0	0	0	113.4	R196	S194-R196 PolarHBondContact O-N 3.45Å
195	N	82.5	Confident	89.7	Confident	72 Å²	72	54.4 Å²	54.4	39%	0.385	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	8.8	174.3	70.1	-4.8	0	0	0	114.3	Y193 A197	Y193-N195 WeakPolarHBondContact CB-OD1 3.5Å; Y193-N195 PolarHBondContact O-N 2.98Å; N195-A197 PolarHBondContact O-N 2.78Å; N195-A197 WeakPolarHBondContact OD1-CB 3.12Å; N195-A197 PolarHBondContact OD1-N 3.36Å
196	R	81.9	Confident	89.6	Confident	197 Å²	197	54.1 Å²	54.1	74%	0.743	26%	0.263	S	S	*	.	S	Bend	trans	65.4	11.1	-174.7	-48.4	175.7	177.7	178.3	-0.4	115.2	Y193 S194 S217	Y193-R196 WeakPolarHBondContact O-CA 3.43Å; Y193-R196 PolarHBondContact O-N 2.94Å; S194-R196 PolarHBondContact O-N 3.45Å; R196-S217 VanDerWaalsContact O-CB 3.31Å; R196-S217 WeakPolarHBondContact O-CB 3.46Å; R196-S217 PolarHBondContact O-OG 2.89Å
197	A	84.6	Confident	89.5	Confident	3 Å²	3	54.7 Å²	54.7	3%	0.025	26%	0.264	C	S	.	.			trans	-63.8	153.4	161.7	0	0	0	0	0	109.6	Y193 N195 M214 H215	Y193-A197 HydrophobicContact CD2-CB 3.99Å; Y193-A197 WeakPolarHBondContact CD2-O 3.34Å; Y193-A197 HydrophobicContact CG-CB 4.3Å; Y193-A197 PolarHBondContact N-O 3.28Å; N195-A197 PolarHBondContact O-N 2.78Å; N195-A197 WeakPolarHBondContact OD1-CB 3.12Å; N195-A197 PolarHBondContact OD1-N 3.36Å; A197-M214 HydrophobicContact CB-SD 4.38Å; A197-H215 CarbonylContact C-O 3.57Å; A197-H215 WeakPolarHBondContact CA-O 3.19Å; A197-H215 WeakPolarHBondContact CB-O 3.38Å
198	T	84	Confident	89.5	Confident	39 Å²	39	54.2 Å²	54.2	24%	0.239	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	127.8	177.2	58.6	0	0	0	0	110.7	Y191 H192 M214 H215	Y191-T198 CarbonylContact O-C 3.44Å; Y191-T198 VanDerWaalsContact O-CA 3.29Å; Y191-T198 WeakPolarHBondContact O-CA 3.16Å; H192-T198 VanDerWaalsContact ND1-CG2 3.32Å; H192-T198 WeakPolarHBondContact ND1-CG2 3.18Å; T198-M214 CarbonylContact O-C 3.55Å; T198-M214 WeakPolarHBondContact O-CA 3.49Å; T198-H215 PolarHBondContact N-O 3.5Å; T198-H215 PolarHBondContact O-N 3.01Å
199	Y	87.7	Confident	89.5	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.7	167.6	180	-93.8	0	0	0	110.3	V190 Y191 Q202 W203 R208 T213 M214 W227	V190-Y199 CarbonylContact C-O 3.58Å; V190-Y199 VanDerWaalsContact CA-O 3.28Å; V190-Y199 WeakPolarHBondContact CA-O 3.48Å; Y191-Y199 PolarHBondContact N-O 3.33Å; Y191-Y199 PolarHBondContact O-N 3.06Å; Y199-Q202 PolarHBondContact OH-O 3.21Å; Y199-W203 AromaticContact CD1-CE2 3.57Å; Y199-W203 HydrophobicContact CD1-CH2 4.29Å; Y199-W203 AromaticContact CD1-CZ2 3.33Å; Y199-W203 HydrophobicContact CD1-CZ2 3.33Å; Y199-W203 AromaticContact CD1-NE1 3.58Å; Y199-W203 HydrophobicContact CE1-CD2 4.42Å; Y199-W203 AromaticContact CE1-CE2 3.62Å; Y199-W203 AromaticContact CE1-CZ2 3.85Å; Y199-W203 HydrophobicContact CE1-CZ2 3.85Å; Y199-W203 AromaticContact CE1-NE1 3.44Å; Y199-W203 HydrophobicContact CG-CZ2 4.18Å; Y199-R208 HydrophobicContact CD1-CG 3.95Å; Y199-R208 HydrophobicContact CD2-CG 3.91Å; Y199-R208 HydrophobicContact CE1-CB 4.29Å; Y199-R208 HydrophobicContact CE1-CG 3.76Å; Y199-R208 HydrophobicContact CE2-CB 4.02Å; Y199-R208 VanDerWaalsContact CE2-CD 3.5Å; Y199-R208 HydrophobicContact CE2-CG 3.73Å; Y199-R208 HydrophobicContact CG-CG 3.99Å; Y199-T213 CarbonylContact C-O 3.45Å; Y199-T213 VanDerWaalsContact CA-O 3.29Å; Y199-T213 WeakPolarHBondContact CA-O 3.47Å; Y199-T213 WeakPolarHBondContact CD2-O 3.44Å; Y199-M214 HydrophobicContact CD2-CB 4.26Å; Y199-M214 HydrophobicContact CD2-CE 4.26Å; Y199-W227 HydrophobicContact CD2-CZ2 4.31Å; Y199-W227 AromaticContact CE2-CD1 3.97Å; Y199-W227 HydrophobicContact CE2-CD2 4.12Å; Y199-W227 AromaticContact CE2-CE2 3.64Å; Y199-W227 HydrophobicContact CE2-CG 4.29Å; Y199-W227 HydrophobicContact CE2-CZ2 4.02Å; Y199-W227 AromaticContact CE2-NE1 3.59Å
200	E	89.3	Confident	89.4	Confident	99 Å²	99	52.2 Å²	52.2	46%	0.463	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118.1	170.8	170.7	169	-146.9	0	0	108.6	Y188 V190 G212 T213	Y188-E200 HydrophobicContact CE1-CG 4.25Å; Y188-E200 WeakPolarHBondContact OH-CG 3.32Å; Y188-E200 PolarHBondContact OH-OE1 3.26Å; Y188-E200 VanDerWaalsContact OH-OE1 3.12Å; V190-E200 HydrophobicContact CG2-CB 4.21Å; V190-E200 HydrophobicContact CG2-CG 4.01Å; E200-G212 CarbonylContact O-C 3.44Å; E200-G212 VanDerWaalsContact O-CA 3.29Å; E200-G212 WeakPolarHBondContact O-CA 3.42Å; E200-T213 PolarHBondContact N-O 2.95Å; E200-T213 PolarHBondContact O-N 2.98Å
201	G	86.3	Confident	89.2	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166	-159.8	-177.2	0	0	0	0	0	114.7	G189 W203 E211	G189-G201 PolarHBondContact N-O 2.99Å; G189-G201 PolarHBondContact O-N 3.3Å; G201-W203 VanDerWaalsContact O-CD1 3.26Å; G201-E211 WeakPolarHBondContact CA-O 3.42Å
202	Q	91.4	Very high	88.5	Confident	94 Å²	94	55.2 Å²	55.2	44%	0.439	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	148.8	-179.1	-75.1	173.7	11.4	0	0	112.9	G187 Y199 H209 E211	G187-Q202 CarbonylContact O-C 3.55Å; G187-Q202 VanDerWaalsContact O-CA 3.28Å; G187-Q202 WeakPolarHBondContact O-CA 3.09Å; Y199-Q202 PolarHBondContact OH-O 3.21Å; Q202-H209 CarbonylContact C-O 3.29Å; Q202-H209 WeakPolarHBondContact CA-O 3.14Å; Q202-H209 WeakPolarHBondContact CB-O 3.3Å; Q202-H209 PolarHBondContact O-N 3.3Å; Q202-E211 PolarHBondContact N-O 2.9Å
203	W	93.1	Very high	88.2	Confident	8 Å²	8	53.8 Å²	53.8	3%	0.03	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.1	-178	-66	82.3	0	0	0	109.9	Y176 R185 H186 G187 G189 Y191 Y199 G201 G206 K207 R208	Y176-W203 HydrophobicContact CD2-CZ2 4.22Å; Y176-W203 AromaticContact CE2-CD1 3.94Å; Y176-W203 HydrophobicContact CE2-CD2 4.02Å; Y176-W203 AromaticContact CE2-CE2 3.6Å; Y176-W203 HydrophobicContact CE2-CG 4.22Å; Y176-W203 AromaticContact CE2-CZ2 4Å; Y176-W203 HydrophobicContact CE2-CZ2 4Å; Y176-W203 AromaticContact CE2-NE1 3.56Å; R185-W203 HydrophobicContact CB-CB 4.22Å; R185-W203 HydrophobicContact CB-CD2 4.15Å; R185-W203 HydrophobicContact CB-CE3 3.91Å; R185-W203 HydrophobicContact CB-CG 4.29Å; H186-W203 CarbonylContact C-O 3.59Å; H186-W203 WeakPolarHBondContact CA-O 3.45Å; G187-W203 PolarHBondContact N-O 3.23Å; G187-W203 PolarHBondContact O-N 3.35Å; G189-W203 PolarHBondContact O-NE1 3.17Å; Y191-W203 HydrophobicContact CD2-CH2 4Å; Y191-W203 HydrophobicContact CD2-CZ2 4.32Å; Y191-W203 HydrophobicContact CG-CH2 4.34Å; Y191-W203 HydrophobicContact CG-CZ2 4.42Å; Y199-W203 AromaticContact CD1-CE2 3.57Å; Y199-W203 HydrophobicContact CD1-CH2 4.29Å; Y199-W203 AromaticContact CD1-CZ2 3.33Å; Y199-W203 HydrophobicContact CD1-CZ2 3.33Å; Y199-W203 AromaticContact CD1-NE1 3.58Å; Y199-W203 HydrophobicContact CE1-CD2 4.42Å; Y199-W203 AromaticContact CE1-CE2 3.62Å; Y199-W203 AromaticContact CE1-CZ2 3.85Å; Y199-W203 HydrophobicContact CE1-CZ2 3.85Å; Y199-W203 AromaticContact CE1-NE1 3.44Å; Y199-W203 HydrophobicContact CG-CZ2 4.18Å; G201-W203 VanDerWaalsContact O-CD1 3.26Å; W203-G206 WeakPolarHBondContact CZ3-O 3.28Å; W203-K207 CarbonylContact C-O 3.56Å; W203-K207 WeakPolarHBondContact CA-O 3.35Å; W203-R208 HydrophobicContact CE3-CG 4.31Å; W203-R208 HydrophobicContact CH2-CG 3.8Å; W203-R208 HydrophobicContact CZ2-CG 4.13Å; W203-R208 HydrophobicContact CZ3-CG 3.88Å
204	K	94.1	Very high	88.2	Confident	92 Å²	92	52.2 Å²	52.2	40%	0.4	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	130.9	174.5	-176.6	177.8	174.8	-177.1	0	109.9	G206 K207 H209	K204-G206 PolarHBondContact O-N 3.22Å; K204-G206 VanDerWaalsContact O-N 3.16Å; K204-K207 PolarHBondContact N-O 2.6Å; K204-K207 PolarHBondContact O-N 3.32Å; K204-H209 HydrophobicContact CB-CB 3.63Å
205	D	91.8	Very high	88.1	Confident	94 Å²	94	51.3 Å²	51.3	50%	0.503	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	39.8	175.9	-48.9	-31.1	0	0	0	112.6	K207	D205-K207 VanDerWaalsContact C-N 3.34Å; D205-K207 PolarHBondContact O-N 3.28Å
206	G	90.7	Very high	88.1	Confident	3 Å²	3	48.8 Å²	48.8	3%	0.031	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-20.8	-177.3	0	0	0	0	0	115.2	R185 W203 K204	R185-G206 VanDerWaalsContact CZ-O 3.3Å; R185-G206 PolarHBondContact NE-O 3.07Å; R185-G206 PolarHBondContact NH2-O 3.44Å; R185-G206 PolarHBondContact O-N 3.15Å; W203-G206 WeakPolarHBondContact CZ3-O 3.28Å; K204-G206 PolarHBondContact O-N 3.22Å; K204-G206 VanDerWaalsContact O-N 3.16Å
207	K	93	Very high	87.8	Confident	82 Å²	82	41.7 Å²	41.7	36%	0.357	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	155.4	-168.9	-43.2	-158.6	175.8	-117.1	0	113	D14 W203 K204 D205 H209	D14-K207 WeakPolarHBondContact OD1-CE 3.35Å; D14-K207 IonicContact OD1-NZ 2.61Å; D14-K207 PolarHBondContact OD1-NZ 3.02Å; D14-K207 WeakPolarHBondContact OD2-CA 3.22Å; D14-K207 WeakPolarHBondContact OD2-CG 3.22Å; W203-K207 CarbonylContact C-O 3.56Å; W203-K207 WeakPolarHBondContact CA-O 3.35Å; K204-K207 PolarHBondContact N-O 2.6Å; K204-K207 PolarHBondContact O-N 3.32Å; D205-K207 VanDerWaalsContact C-N 3.34Å; D205-K207 PolarHBondContact O-N 3.28Å; K207-H209 PolarHBondContact O-N 2.85Å
208	R	93.9	Very high	87.3	Confident	10 Å²	10	45.6 Å²	45.6	4%	0.038	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	130.1	169.2	-63.1	172.8	-83.1	160	-12	109.9	Y199 W203 M214 W227 G230	Y199-R208 HydrophobicContact CD1-CG 3.95Å; Y199-R208 HydrophobicContact CD2-CG 3.91Å; Y199-R208 HydrophobicContact CE1-CB 4.29Å; Y199-R208 HydrophobicContact CE1-CG 3.76Å; Y199-R208 HydrophobicContact CE2-CB 4.02Å; Y199-R208 VanDerWaalsContact CE2-CD 3.5Å; Y199-R208 HydrophobicContact CE2-CG 3.73Å; Y199-R208 HydrophobicContact CG-CG 3.99Å; W203-R208 HydrophobicContact CE3-CG 4.31Å; W203-R208 HydrophobicContact CH2-CG 3.8Å; W203-R208 HydrophobicContact CZ2-CG 4.13Å; W203-R208 HydrophobicContact CZ3-CG 3.88Å; R208-M214 VanDerWaalsContact NH1-CE 3.28Å; R208-W227 HydrophobicContact CB-CB 4.41Å; R208-W227 HydrophobicContact CB-CD2 4.47Å; R208-W227 HydrophobicContact CB-CE3 4.48Å; R208-W227 HydrophobicContact CB-CG 4.46Å; R208-G230 VanDerWaalsContact CZ-O 3.29Å; R208-G230 PolarHBondContact O-N 3.27Å
209	H	93.2	Very high	87.1	Confident	54 Å²	54	47.9 Å²	47.9	25%	0.25	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	154.5	-174	-167.3	84.9	0	0	0	110.1	Q202 K204 K207 W227	Q202-H209 CarbonylContact C-O 3.29Å; Q202-H209 WeakPolarHBondContact CA-O 3.14Å; Q202-H209 WeakPolarHBondContact CB-O 3.3Å; Q202-H209 PolarHBondContact O-N 3.3Å; K204-H209 HydrophobicContact CB-CB 3.63Å; K207-H209 PolarHBondContact O-N 2.85Å; H209-W227 CarbonylContact C-O 3.58Å; H209-W227 WeakPolarHBondContact CA-O 3.44Å
210	G	90.3	Very high	86.6	Confident	18 Å²	18	50.3 Å²	50.3	19%	0.186	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.5	-150.2	-178.9	0	0	0	0	0	112	S226 W227	G210-S226 CarbonylContact O-C 3.48Å; G210-S226 WeakPolarHBondContact O-CA 3.36Å; G210-W227 PolarHBondContact N-O 2.88Å; G210-W227 PolarHBondContact O-N 3.42Å
211	E	86.9	Confident	86.4	Confident	99 Å²	99	46.9 Å²	46.9	46%	0.463	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	138	-178	-64.4	-54.9	125	0	0	112.6	G201 Q202 S226	G201-E211 WeakPolarHBondContact CA-O 3.42Å; Q202-E211 PolarHBondContact N-O 2.9Å; E211-S226 WeakPolarHBondContact OE1-CA 3.39Å; E211-S226 WeakPolarHBondContact OE1-CB 3.35Å; E211-S226 PolarHBondContact OE1-OG 2.81Å; E211-S226 PolarHBondContact OE2-N 2.84Å
212	G	80.4	Confident	86	Confident	6 Å²	6	49.5 Å²	49.5	6%	0.062	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	162.2	173.9	0	0	0	0	0	114.9	E200 G225 W227	E200-G212 CarbonylContact O-C 3.44Å; E200-G212 VanDerWaalsContact O-CA 3.29Å; E200-G212 WeakPolarHBondContact O-CA 3.42Å; G212-G225 PolarHBondContact N-O 2.94Å; G212-G225 PolarHBondContact O-N 3.46Å; G212-G225 VanDerWaalsContact O-O 3.06Å; G212-W227 PolarHBondContact O-NE1 2.74Å
213	T	82.9	Confident	85.7	Confident	40 Å²	40	45 Å²	45	25%	0.245	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.5	176.7	-64.8	0	0	0	0	110	Y199 E200 I222 Y223 T224	Y199-T213 CarbonylContact C-O 3.45Å; Y199-T213 VanDerWaalsContact CA-O 3.29Å; Y199-T213 WeakPolarHBondContact CA-O 3.47Å; Y199-T213 WeakPolarHBondContact CD2-O 3.44Å; E200-T213 PolarHBondContact N-O 2.95Å; E200-T213 PolarHBondContact O-N 2.98Å; T213-I222 HydrophobicContact CG2-CD1 3.8Å; T213-I222 HydrophobicContact CG2-CG1 3.75Å; T213-Y223 CarbonylContact C-O 3.55Å; T213-Y223 WeakPolarHBondContact CA-O 3.42Å; T213-T224 WeakPolarHBondContact CG2-OG1 3.36Å; T213-T224 WeakPolarHBondContact OG1-CG2 3.31Å; T213-T224 PolarHBondContact OG1-OG1 3Å
214	M	89.1	Confident	85.1	Confident	5 Å²	5	47.9 Å²	47.9	3%	0.025	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.8	167.6	179	64.6	87.6	0	0	108.8	Y193 A197 T198 Y199 R208 W216 I222 Y223 W227	Y193-M214 HydrophobicContact CE2-CE 3.7Å; Y193-M214 HydrophobicContact CE2-SD 4.08Å; A197-M214 HydrophobicContact CB-SD 4.38Å; T198-M214 CarbonylContact O-C 3.55Å; T198-M214 WeakPolarHBondContact O-CA 3.49Å; Y199-M214 HydrophobicContact CD2-CB 4.26Å; Y199-M214 HydrophobicContact CD2-CE 4.26Å; R208-M214 VanDerWaalsContact NH1-CE 3.28Å; M214-W216 HydrophobicContact CB-CE3 4.48Å; M214-W216 HydrophobicContact CB-CH2 3.91Å; M214-W216 HydrophobicContact CB-CZ2 4.16Å; M214-W216 HydrophobicContact CB-CZ3 4.07Å; M214-W216 HydrophobicContact CG-CD2 3.7Å; M214-W216 HydrophobicContact CG-CE3 3.89Å; M214-W216 HydrophobicContact CG-CG 4.49Å; M214-W216 HydrophobicContact CG-CH2 3.59Å; M214-W216 HydrophobicContact CG-CZ2 3.37Å; M214-W216 HydrophobicContact CG-CZ3 3.84Å; M214-I222 CarbonylContact O-C 3.54Å; M214-I222 WeakPolarHBondContact O-CA 3.35Å; M214-Y223 PolarHBondContact N-O 2.94Å; M214-Y223 PolarHBondContact O-N 2.92Å; M214-W227 HydrophobicContact CB-CH2 3.87Å; M214-W227 HydrophobicContact CB-CZ2 3.64Å
215	H	82.2	Confident	84.5	Confident	61 Å²	61	43.7 Å²	43.7	28%	0.282	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.5	175.1	173	-112.4	0	0	0	109.1	A197 T198 S217 E221 I222	A197-H215 CarbonylContact C-O 3.57Å; A197-H215 WeakPolarHBondContact CA-O 3.19Å; A197-H215 WeakPolarHBondContact CB-O 3.38Å; T198-H215 PolarHBondContact N-O 3.5Å; T198-H215 PolarHBondContact O-N 3.01Å; H215-S217 PolarHBondContact CE1-OG 3.11Å; H215-S217 PolarHBondContact ND1-OG 3.45Å; H215-E221 WeakPolarHBondContact CA-O 3.38Å; H215-E221 PolarHBondContact CD2-O 2.87Å; H215-I222 HydrophobicContact CB-CG1 4.27Å
216	W	83.2	Confident	84.2	Confident	19 Å²	19	40.3 Å²	40.3	7%	0.072	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	89.5	178.1	-65.2	-87.5	0	0	0	108.9	M214 D218 R219 D220 E221	M214-W216 HydrophobicContact CB-CE3 4.48Å; M214-W216 HydrophobicContact CB-CH2 3.91Å; M214-W216 HydrophobicContact CB-CZ2 4.16Å; M214-W216 HydrophobicContact CB-CZ3 4.07Å; M214-W216 HydrophobicContact CG-CD2 3.7Å; M214-W216 HydrophobicContact CG-CE3 3.89Å; M214-W216 HydrophobicContact CG-CG 4.49Å; M214-W216 HydrophobicContact CG-CH2 3.59Å; M214-W216 HydrophobicContact CG-CZ2 3.37Å; M214-W216 HydrophobicContact CG-CZ3 3.84Å; W216-D218 WeakPolarHBondContact CB-OD1 3.48Å; W216-D218 PolarHBondContact O-N 2.99Å; W216-D218 VanDerWaalsContact O-N 3.12Å; W216-R219 VanDerWaalsContact CD1-NH2 3.27Å; W216-R219 VanDerWaalsContact CG-NH2 3.26Å; W216-R219 PolarHBondContact O-N 3.45Å; W216-R219 VanDerWaalsContact O-N 3.15Å; W216-D220 PolarHBondContact O-N 3.45Å; W216-D220 VanDerWaalsContact O-N 3.16Å; W216-E221 HydrophobicContact CB-CB 4.24Å; W216-E221 HydrophobicContact CE3-CB 3.85Å; W216-E221 PolarHBondContact N-O 2.79Å; W216-E221 PolarHBondContact O-N 2.94Å
217	S	75	Confident	84.3	Confident	49 Å²	49	40.2 Å²	40.2	34%	0.343	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.3	-176.3	-52.5	0	0	0	0	114.4	R196 H215	R196-S217 VanDerWaalsContact O-CB 3.31Å; R196-S217 WeakPolarHBondContact O-CB 3.46Å; R196-S217 PolarHBondContact O-OG 2.89Å; H215-S217 PolarHBondContact CE1-OG 3.11Å; H215-S217 PolarHBondContact ND1-OG 3.45Å
218	D	75.1	Confident	84.3	Confident	84 Å²	84	38.8 Å²	38.8	45%	0.449	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-30.6	176.8	58.1	-45	0	0	0	113.1	W216	W216-D218 WeakPolarHBondContact CB-OD1 3.48Å; W216-D218 PolarHBondContact O-N 2.99Å; W216-D218 VanDerWaalsContact O-N 3.12Å
219	R	79.1	Confident	84.2	Confident	88 Å²	88	43.6 Å²	43.6	33%	0.332	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	2.5	-175.4	-61	-169.8	-51.5	-77.1	0.5	114.3	W216 E221	W216-R219 VanDerWaalsContact CD1-NH2 3.27Å; W216-R219 VanDerWaalsContact CG-NH2 3.26Å; W216-R219 PolarHBondContact O-N 3.45Å; W216-R219 VanDerWaalsContact O-N 3.15Å; R219-E221 VanDerWaalsContact C-N 3.32Å; R219-E221 HydrophobicContact CB-CG 3.75Å; R219-E221 WeakPolarHBondContact CB-OE1 3.47Å; R219-E221 WeakPolarHBondContact CD-OE1 3.48Å; R219-E221 IonicContact CZ-OE1 2.62Å; R219-E221 IonicContact NE-OE1 3.29Å; R219-E221 PolarHBondContact NE-OE1 3.32Å; R219-E221 IonicContact NH2-OE1 3.24Å; R219-E221 IonicContact NH2-OE2 2.77Å; R219-E221 PolarHBondContact O-N 2.75Å
220	D	77.5	Confident	84.1	Confident	50 Å²	50	41.2 Å²	41.2	27%	0.267	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	50.5	-172.3	-61.4	-46.3	0	0	0	111.8	W216 H241 I242 L243	W216-D220 PolarHBondContact O-N 3.45Å; W216-D220 VanDerWaalsContact O-N 3.16Å; D220-H241 PolarHBondContact O-N 3.49Å; D220-I242 HydrophobicContact CB-CB 4.32Å; D220-I242 WeakPolarHBondContact O-CD1 3.31Å; D220-I242 VanDerWaalsContact O-CG1 3.23Å; D220-I242 WeakPolarHBondContact O-CG1 3.34Å; D220-I242 PolarHBondContact O-N 3.38Å; D220-I242 VanDerWaalsContact O-N 3.07Å; D220-L243 HydrophobicContact CB-CB 4.43Å; D220-L243 HydrophobicContact CB-CG 4.22Å; D220-L243 VanDerWaalsContact CG-CG 3.46Å; D220-L243 WeakPolarHBondContact OD1-CD1 3.3Å; D220-L243 WeakPolarHBondContact OD1-CG 3.37Å; D220-L243 WeakPolarHBondContact OD2-CB 3.41Å; D220-L243 WeakPolarHBondContact OD2-CD1 3.47Å
221	E	84.4	Confident	84.3	Confident	27 Å²	27	44.1 Å²	44.1	13%	0.126	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147.7	178.6	-51.3	-178	-151.5	0	0	112.6	H215 W216 R219 H238 A239 W240	H215-E221 WeakPolarHBondContact CA-O 3.38Å; H215-E221 PolarHBondContact CD2-O 2.87Å; W216-E221 HydrophobicContact CB-CB 4.24Å; W216-E221 HydrophobicContact CE3-CB 3.85Å; W216-E221 PolarHBondContact N-O 2.79Å; W216-E221 PolarHBondContact O-N 2.94Å; R219-E221 VanDerWaalsContact C-N 3.32Å; R219-E221 HydrophobicContact CB-CG 3.75Å; R219-E221 WeakPolarHBondContact CB-OE1 3.47Å; R219-E221 WeakPolarHBondContact CD-OE1 3.48Å; R219-E221 IonicContact CZ-OE1 2.62Å; R219-E221 IonicContact NE-OE1 3.29Å; R219-E221 PolarHBondContact NE-OE1 3.32Å; R219-E221 IonicContact NH2-OE1 3.24Å; R219-E221 IonicContact NH2-OE2 2.77Å; R219-E221 PolarHBondContact O-N 2.75Å; E221-H238 IonicContact OE2-CE1 2.98Å; E221-H238 PolarHBondContact OE2-CE1 2.6Å; E221-H238 IonicContact OE2-NE2 2.74Å; E221-H238 PolarHBondContact OE2-NE2 3.41Å; E221-A239 CarbonylContact C-O 3.28Å; E221-A239 VanDerWaalsContact CA-O 3.26Å; E221-A239 WeakPolarHBondContact CA-O 3.39Å; E221-W240 HydrophobicContact CB-CB 4.35Å; E221-W240 HydrophobicContact CG-CB 3.69Å
222	I	77.9	Confident	84.6	Confident	57 Å²	57	39.8 Å²	39.8	29%	0.292	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	133.5	170.8	-163	171.5	0	0	0	110	T213 M214 H215 H238 A239 I242	T213-I222 HydrophobicContact CG2-CD1 3.8Å; T213-I222 HydrophobicContact CG2-CG1 3.75Å; M214-I222 CarbonylContact O-C 3.54Å; M214-I222 WeakPolarHBondContact O-CA 3.35Å; H215-I222 HydrophobicContact CB-CG1 4.27Å; I222-H238 CarbonylContact O-C 3.6Å; I222-H238 VanDerWaalsContact O-CA 3.29Å; I222-H238 WeakPolarHBondContact O-CA 3.32Å; I222-H238 PolarHBondContact O-CD2 2.81Å; I222-A239 HydrophobicContact CG2-CB 4.07Å; I222-A239 PolarHBondContact N-O 2.85Å; I222-A239 PolarHBondContact O-N 2.87Å; I222-I242 HydrophobicContact CB-CD1 3.9Å; I222-I242 HydrophobicContact CG2-CD1 3.64Å
223	Y	85	Confident	85.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.9	165.9	174.1	-83.8	0	0	0	109	T213 M214 S226 W227 Q232 C237 H238 W260	T213-Y223 CarbonylContact C-O 3.55Å; T213-Y223 WeakPolarHBondContact CA-O 3.42Å; M214-Y223 PolarHBondContact N-O 2.94Å; M214-Y223 PolarHBondContact O-N 2.92Å; Y223-S226 PolarHBondContact OH-O 2.84Å; Y223-W227 AromaticContact CD1-CE2 3.62Å; Y223-W227 AromaticContact CD1-CH2 3.96Å; Y223-W227 HydrophobicContact CD1-CH2 3.96Å; Y223-W227 AromaticContact CD1-CZ2 3.24Å; Y223-W227 HydrophobicContact CD1-CZ2 3.24Å; Y223-W227 AromaticContact CD1-NE1 3.83Å; Y223-W227 HydrophobicContact CE1-CD2 4.29Å; Y223-W227 AromaticContact CE1-CE2 3.55Å; Y223-W227 HydrophobicContact CE1-CH2 4.37Å; Y223-W227 AromaticContact CE1-CZ2 3.67Å; Y223-W227 HydrophobicContact CE1-CZ2 3.67Å; Y223-W227 AromaticContact CE1-NE1 3.56Å; Y223-W227 HydrophobicContact CG-CZ2 4.14Å; Y223-Q232 HydrophobicContact CD1-CG 4.05Å; Y223-Q232 HydrophobicContact CD2-CG 3.69Å; Y223-Q232 HydrophobicContact CE1-CB 4.35Å; Y223-Q232 HydrophobicContact CE1-CG 3.83Å; Y223-Q232 HydrophobicContact CE2-CB 3.81Å; Y223-Q232 HydrophobicContact CE2-CG 3.47Å; Y223-Q232 VanDerWaalsContact CE2-CG 3.47Å; Y223-Q232 HydrophobicContact CG-CG 3.98Å; Y223-C237 CarbonylContact C-O 3.53Å; Y223-C237 VanDerWaalsContact CA-O 3.27Å; Y223-C237 WeakPolarHBondContact CA-O 3.29Å; Y223-H238 HydrophobicContact CD2-CB 4.14Å; Y223-W260 HydrophobicContact CD2-CH2 4.45Å; Y223-W260 HydrophobicContact CD2-CZ2 4.08Å; Y223-W260 AromaticContact CE2-CD1 3.94Å; Y223-W260 AromaticContact CE2-CD2 3.81Å; Y223-W260 HydrophobicContact CE2-CD2 3.81Å; Y223-W260 AromaticContact CE2-CE2 3.57Å; Y223-W260 HydrophobicContact CE2-CE3 4.4Å; Y223-W260 HydrophobicContact CE2-CG 4.07Å; Y223-W260 AromaticContact CE2-CZ2 3.99Å; Y223-W260 HydrophobicContact CE2-CZ2 3.99Å; Y223-W260 AromaticContact CE2-NE1 3.63Å
224	T	80.9	Confident	85.5	Confident	67 Å²	67	41.2 Å²	41.2	41%	0.411	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124	169.8	-63.8	0	0	0	0	109.2	T213 G236 C237	T213-T224 WeakPolarHBondContact CG2-OG1 3.36Å; T213-T224 WeakPolarHBondContact OG1-CG2 3.31Å; T213-T224 PolarHBondContact OG1-OG1 3Å; T224-G236 CarbonylContact O-C 3.55Å; T224-G236 VanDerWaalsContact O-CA 3.31Å; T224-G236 WeakPolarHBondContact O-CA 3.41Å; T224-C237 PolarHBondContact N-O 2.69Å; T224-C237 PolarHBondContact O-N 2.81Å
225	G	82.4	Confident	85.3	Confident	4 Å²	4	46.3 Å²	46.3	4%	0.041	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.1	-156.6	176.8	0	0	0	0	0	114.1	G212 W227 L235	G212-G225 PolarHBondContact N-O 2.94Å; G212-G225 PolarHBondContact O-N 3.46Å; G212-G225 VanDerWaalsContact O-O 3.06Å; G225-W227 PolarHBondContact O-NE1 2.77Å; G225-L235 WeakPolarHBondContact CA-O 3.19Å
226	S	86	Confident	85.2	Confident	23 Å²	23	43.7 Å²	43.7	16%	0.161	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	139.3	-174.5	-51.8	0	0	0	0	113.5	G210 E211 Y223 N233 L235	G210-S226 CarbonylContact O-C 3.48Å; G210-S226 WeakPolarHBondContact O-CA 3.36Å; E211-S226 WeakPolarHBondContact OE1-CA 3.39Å; E211-S226 WeakPolarHBondContact OE1-CB 3.35Å; E211-S226 PolarHBondContact OE1-OG 2.81Å; E211-S226 PolarHBondContact OE2-N 2.84Å; Y223-S226 PolarHBondContact OH-O 2.84Å; S226-N233 CarbonylContact C-O 3.33Å; S226-N233 VanDerWaalsContact C-O 3.28Å; S226-N233 WeakPolarHBondContact CB-O 3.29Å; S226-N233 PolarHBondContact O-N 2.94Å; S226-N233 VanDerWaalsContact O-O 3.11Å; S226-L235 PolarHBondContact N-O 2.95Å; S226-L235 PolarHBondContact OG-O 3.2Å
227	W	91.3	Very high	85.1	Confident	1 Å²	1	44.8 Å²	44.8	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.5	179.8	-61.2	84	0	0	0	111.3	Y199 R208 H209 G210 G212 M214 Y223 G225 G230 K231 Q232	Y199-W227 HydrophobicContact CD2-CZ2 4.31Å; Y199-W227 AromaticContact CE2-CD1 3.97Å; Y199-W227 HydrophobicContact CE2-CD2 4.12Å; Y199-W227 AromaticContact CE2-CE2 3.64Å; Y199-W227 HydrophobicContact CE2-CG 4.29Å; Y199-W227 HydrophobicContact CE2-CZ2 4.02Å; Y199-W227 AromaticContact CE2-NE1 3.59Å; R208-W227 HydrophobicContact CB-CB 4.41Å; R208-W227 HydrophobicContact CB-CD2 4.47Å; R208-W227 HydrophobicContact CB-CE3 4.48Å; R208-W227 HydrophobicContact CB-CG 4.46Å; H209-W227 CarbonylContact C-O 3.58Å; H209-W227 WeakPolarHBondContact CA-O 3.44Å; G210-W227 PolarHBondContact N-O 2.88Å; G210-W227 PolarHBondContact O-N 3.42Å; G212-W227 PolarHBondContact O-NE1 2.74Å; M214-W227 HydrophobicContact CB-CH2 3.87Å; M214-W227 HydrophobicContact CB-CZ2 3.64Å; Y223-W227 AromaticContact CD1-CE2 3.62Å; Y223-W227 AromaticContact CD1-CH2 3.96Å; Y223-W227 HydrophobicContact CD1-CH2 3.96Å; Y223-W227 AromaticContact CD1-CZ2 3.24Å; Y223-W227 HydrophobicContact CD1-CZ2 3.24Å; Y223-W227 AromaticContact CD1-NE1 3.83Å; Y223-W227 HydrophobicContact CE1-CD2 4.29Å; Y223-W227 AromaticContact CE1-CE2 3.55Å; Y223-W227 HydrophobicContact CE1-CH2 4.37Å; Y223-W227 AromaticContact CE1-CZ2 3.67Å; Y223-W227 HydrophobicContact CE1-CZ2 3.67Å; Y223-W227 AromaticContact CE1-NE1 3.56Å; Y223-W227 HydrophobicContact CG-CZ2 4.14Å; G225-W227 PolarHBondContact O-NE1 2.77Å; W227-G230 VanDerWaalsContact CE3-O 3.27Å; W227-G230 WeakPolarHBondContact CZ3-O 3.21Å; W227-K231 CarbonylContact C-O 3.49Å; W227-K231 WeakPolarHBondContact CA-O 3.4Å; W227-Q232 HydrophobicContact CE3-CG 4.23Å; W227-Q232 HydrophobicContact CH2-CG 3.82Å; W227-Q232 HydrophobicContact CZ2-CG 4.42Å; W227-Q232 HydrophobicContact CZ3-CG 3.68Å
228	V	94.1	Very high	85.7	Confident	53 Å²	53	43.7 Å²	43.7	32%	0.321	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	122.6	171	177.9	0	0	0	0	109.5	G230 K231 N233	V228-G230 VanDerWaalsContact C-N 3.28Å; V228-G230 PolarHBondContact O-N 2.99Å; V228-K231 PolarHBondContact N-O 2.9Å; V228-K231 PolarHBondContact O-N 2.95Å; V228-N233 HydrophobicContact CB-CB 3.89Å; V228-N233 HydrophobicContact CG2-CB 3.92Å
229	N	92	Very high	85.9	Confident	110 Å²	110	40.3 Å²	40.3	59%	0.588	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	45.2	176.1	-58.8	-17.2	0	0	0	112.8	K231	N229-K231 PolarHBondContact O-N 3.49Å
230	G	91.4	Very high	86.2	Confident	4 Å²	4	38.2 Å²	38.2	4%	0.041	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	-23.6	-178.4	0	0	0	0	0	115.3	N17 R208 W227 V228	N17-G230 PolarHBondContact ND2-O 3.22Å; R208-G230 VanDerWaalsContact CZ-O 3.29Å; R208-G230 PolarHBondContact O-N 3.27Å; W227-G230 VanDerWaalsContact CE3-O 3.27Å; W227-G230 WeakPolarHBondContact CZ3-O 3.21Å; V228-G230 VanDerWaalsContact C-N 3.28Å; V228-G230 PolarHBondContact O-N 2.99Å
231	K	93.7	Very high	85.9	Confident	79 Å²	79	40 Å²	40	34%	0.343	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.7	-168.5	-71.3	174.9	-178.2	-173.1	0	113.1	N17 W227 V228 N229 N233	N17-K231 WeakPolarHBondContact ND2-CA 3.31Å; N17-K231 WeakPolarHBondContact ND2-CG 3.38Å; W227-K231 CarbonylContact C-O 3.49Å; W227-K231 WeakPolarHBondContact CA-O 3.4Å; V228-K231 PolarHBondContact N-O 2.9Å; V228-K231 PolarHBondContact O-N 2.95Å; N229-K231 PolarHBondContact O-N 3.49Å; K231-N233 PolarHBondContact O-N 3Å
232	Q	92.1	Very high	84.7	Confident	9 Å²	9	41 Å²	41	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	123.2	171.2	-60.6	87.8	-37.8	0	0	109.2	Y223 W227 W260 N262 G263	Y223-Q232 HydrophobicContact CD1-CG 4.05Å; Y223-Q232 HydrophobicContact CD2-CG 3.69Å; Y223-Q232 HydrophobicContact CE1-CB 4.35Å; Y223-Q232 HydrophobicContact CE1-CG 3.83Å; Y223-Q232 HydrophobicContact CE2-CB 3.81Å; Y223-Q232 HydrophobicContact CE2-CG 3.47Å; Y223-Q232 VanDerWaalsContact CE2-CG 3.47Å; Y223-Q232 HydrophobicContact CG-CG 3.98Å; W227-Q232 HydrophobicContact CE3-CG 4.23Å; W227-Q232 HydrophobicContact CH2-CG 3.82Å; W227-Q232 HydrophobicContact CZ2-CG 4.42Å; W227-Q232 HydrophobicContact CZ3-CG 3.68Å; Q232-W260 HydrophobicContact CB-CB 4.15Å; Q232-W260 HydrophobicContact CB-CD2 4.02Å; Q232-W260 HydrophobicContact CB-CE3 3.71Å; Q232-W260 HydrophobicContact CB-CG 4.21Å; Q232-W260 HydrophobicContact CB-CZ3 4.45Å; Q232-W260 HydrophobicContact CG-CE3 4.2Å; Q232-W260 HydrophobicContact CG-CZ3 4.49Å; Q232-N262 PolarHBondContact O-N 2.9Å; Q232-G263 PolarHBondContact O-N 2.83Å
233	N	93	Very high	83.6	Confident	47 Å²	47	41.8 Å²	41.8	25%	0.251	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	122.7	-173.6	-166.1	-18.9	0	0	0	110.7	S226 V228 K231 W260	S226-N233 CarbonylContact C-O 3.33Å; S226-N233 VanDerWaalsContact C-O 3.28Å; S226-N233 WeakPolarHBondContact CB-O 3.29Å; S226-N233 PolarHBondContact O-N 2.94Å; S226-N233 VanDerWaalsContact O-O 3.11Å; V228-N233 HydrophobicContact CB-CB 3.89Å; V228-N233 HydrophobicContact CG2-CB 3.92Å; K231-N233 PolarHBondContact O-N 3Å; N233-W260 WeakPolarHBondContact CA-O 3.29Å; N233-W260 PolarHBondContact OD1-O 2.75Å
234	G	89.9	Confident	82.4	Confident	29 Å²	29	43.6 Å²	43.6	30%	0.299	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	113.2	-137	-170.8	0	0	0	0	0	111.1	Q259 W260	G234-Q259 CarbonylContact O-C 3.45Å; G234-Q259 VanDerWaalsContact O-CA 3.3Å; G234-Q259 WeakPolarHBondContact O-CA 3.43Å; G234-W260 PolarHBondContact N-O 2.95Å; G234-W260 PolarHBondContact O-N 2.99Å
235	L	85	Confident	81	Confident	112 Å²	112	45.8 Å²	45.8	59%	0.586	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	144.6	173.7	-67	173.4	0	0	0	109.9	G225 S226 G258 Q259	G225-L235 WeakPolarHBondContact CA-O 3.19Å; S226-L235 PolarHBondContact N-O 2.95Å; S226-L235 PolarHBondContact OG-O 3.2Å; L235-G258 WeakPolarHBondContact CA-O 3.2Å; L235-Q259 HydrophobicContact CD2-CG 3.7Å
236	G	79.3	Confident	79.4	Confident	5 Å²	5	55.2 Å²	55.2	5%	0.052	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	152	174.9	0	0	0	0	0	114.6	T224 G258 W260	T224-G236 CarbonylContact O-C 3.55Å; T224-G236 VanDerWaalsContact O-CA 3.31Å; T224-G236 WeakPolarHBondContact O-CA 3.41Å; G236-G258 PolarHBondContact N-O 2.88Å; G236-G258 PolarHBondContact O-N 3.22Å; G236-W260 PolarHBondContact O-NE1 3.34Å
237	C	81.3	Confident	77.7	Confident	42 Å²	42	60.3 Å²	60.3	28%	0.284	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.6	178.1	-177.3	0	0	0	0	109.9	Y223 T224 V255 Y256 D257	Y223-C237 CarbonylContact C-O 3.53Å; Y223-C237 VanDerWaalsContact CA-O 3.27Å; Y223-C237 WeakPolarHBondContact CA-O 3.29Å; T224-C237 PolarHBondContact N-O 2.69Å; T224-C237 PolarHBondContact O-N 2.81Å; C237-V255 WeakPolarHBondContact SG-CG1 3.19Å; C237-Y256 CarbonylContact C-O 3.47Å; C237-Y256 WeakPolarHBondContact CA-O 3.35Å; C237-D257 HydrophobicContact CB-CB 4.5Å
238	H	89.1	Confident	75.9	Confident	26 Å²	26	62.4 Å²	62.4	12%	0.12	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.4	174.6	179.7	-146.3	0	0	0	109.1	E221 I222 Y223 W240 V255 Y256 W260	E221-H238 IonicContact OE2-CE1 2.98Å; E221-H238 PolarHBondContact OE2-CE1 2.6Å; E221-H238 IonicContact OE2-NE2 2.74Å; E221-H238 PolarHBondContact OE2-NE2 3.41Å; I222-H238 CarbonylContact O-C 3.6Å; I222-H238 VanDerWaalsContact O-CA 3.29Å; I222-H238 WeakPolarHBondContact O-CA 3.32Å; I222-H238 PolarHBondContact O-CD2 2.81Å; Y223-H238 HydrophobicContact CD2-CB 4.14Å; H238-W240 HydrophobicContact CB-CZ3 4.49Å; H238-W240 AromaticContact CE1-CE3 3.75Å; H238-W240 AromaticContact CG-CE3 3.95Å; H238-W240 AromaticContact ND1-CE3 3.52Å; H238-W240 AromaticContact ND1-CZ3 3.54Å; H238-V255 CarbonylContact O-C 3.55Å; H238-V255 WeakPolarHBondContact O-CA 3.39Å; H238-Y256 PolarHBondContact N-O 2.96Å; H238-Y256 PolarHBondContact O-N 2.77Å; H238-W260 HydrophobicContact CB-CH2 3.84Å; H238-W260 HydrophobicContact CB-CZ2 3.5Å; H238-W260 VanDerWaalsContact CB-CZ2 3.5Å; H238-W260 AromaticContact ND1-CH2 3.83Å
239	A	79.2	Confident	74	Confident	13 Å²	13	67.1 Å²	67.1	11%	0.107	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.1	172.7	0	0	0	0	0	110.7	E221 I222 I242 P253 N254 V255	E221-A239 CarbonylContact C-O 3.28Å; E221-A239 VanDerWaalsContact CA-O 3.26Å; E221-A239 WeakPolarHBondContact CA-O 3.39Å; I222-A239 HydrophobicContact CG2-CB 4.07Å; I222-A239 PolarHBondContact N-O 2.85Å; I222-A239 PolarHBondContact O-N 2.87Å; A239-I242 HydrophobicContact CB-CG1 4.41Å; A239-P253 HydrophobicContact CB-CB 4.49Å; A239-N254 CarbonylContact C-O 3.56Å; A239-N254 WeakPolarHBondContact CA-O 3.41Å; A239-V255 HydrophobicContact CB-CB 4.5Å; A239-V255 HydrophobicContact CB-CG1 4.34Å; A239-V255 HydrophobicContact CB-CG2 3.94Å
240	W	84.8	Confident	72.5	Confident	44 Å²	44	64.9 Å²	64.9	17%	0.167	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	157.6	178.8	65.7	106.2	0	0	0	113.1	E221 H238 I242 N254 F271	E221-W240 HydrophobicContact CB-CB 4.35Å; E221-W240 HydrophobicContact CG-CB 3.69Å; H238-W240 HydrophobicContact CB-CZ3 4.49Å; H238-W240 AromaticContact CE1-CE3 3.75Å; H238-W240 AromaticContact CG-CE3 3.95Å; H238-W240 AromaticContact ND1-CE3 3.52Å; H238-W240 AromaticContact ND1-CZ3 3.54Å; W240-I242 VanDerWaalsContact C-N 3.34Å; W240-N254 HydrophobicContact CD2-CB 3.47Å; W240-N254 VanDerWaalsContact CD2-CB 3.47Å; W240-N254 HydrophobicContact CE3-CB 4Å; W240-N254 HydrophobicContact CG-CB 3.87Å; W240-N254 HydrophobicContact CH2-CB 4.31Å; W240-N254 HydrophobicContact CZ2-CB 3.79Å; W240-N254 HydrophobicContact CZ3-CB 4.38Å; W240-N254 PolarHBondContact N-O 3.49Å; W240-N254 PolarHBondContact NE1-ND2 3.43Å; W240-N254 PolarHBondContact O-N 3.09Å; W240-F271 AromaticContact CH2-CD2 3.95Å; W240-F271 HydrophobicContact CH2-CD2 3.95Å; W240-F271 AromaticContact CH2-CE2 3.24Å; W240-F271 HydrophobicContact CH2-CE2 3.24Å; W240-F271 HydrophobicContact CH2-CZ 4.02Å; W240-F271 AromaticContact CZ2-CE2 3.55Å; W240-F271 HydrophobicContact CZ2-CE2 3.55Å; W240-F271 AromaticContact CZ2-CZ 3.86Å; W240-F271 HydrophobicContact CZ2-CZ 3.86Å; W240-F271 AromaticContact CZ3-CE2 3.97Å; W240-F271 HydrophobicContact CZ3-CE2 3.97Å
241	H	70.3	Confident	71.1	Confident	87 Å²	87	67.5 Å²	67.5	40%	0.403	35%	0.351	S	S	.	.			trans	55.3	49.5	-162.3	-48.1	-52.4	0	0	0	111.4	D220 L243 N254	D220-H241 PolarHBondContact O-N 3.49Å; H241-L243 PolarHBondContact O-N 2.92Å; H241-N254 PolarHBondContact CD2-ND2 2.93Å
242	I	60.6	Low	69.8	Low	50 Å²	50	64.9 Å²	64.9	26%	0.256	34%	0.34	S	S	.	.			trans	-61.3	-36.2	177.5	-62.8	165	0	0	0	110.5	D220 I222 A239 W240	D220-I242 HydrophobicContact CB-CB 4.32Å; D220-I242 WeakPolarHBondContact O-CD1 3.31Å; D220-I242 VanDerWaalsContact O-CG1 3.23Å; D220-I242 WeakPolarHBondContact O-CG1 3.34Å; D220-I242 PolarHBondContact O-N 3.38Å; D220-I242 VanDerWaalsContact O-N 3.07Å; I222-I242 HydrophobicContact CB-CD1 3.9Å; I222-I242 HydrophobicContact CG2-CD1 3.64Å; A239-I242 HydrophobicContact CB-CG1 4.41Å; W240-I242 VanDerWaalsContact C-N 3.34Å
243	L	53.9	Low	68.8	Low	72 Å²	72	65.6 Å²	65.6	38%	0.377	35%	0.346	S	S	.	.	S	Bend	trans	-90.4	112.8	170.9	-53.6	-174.5	0	0	0	110.6	D220 H241 P409 D410	D220-L243 HydrophobicContact CB-CB 4.43Å; D220-L243 HydrophobicContact CB-CG 4.22Å; D220-L243 VanDerWaalsContact CG-CG 3.46Å; D220-L243 WeakPolarHBondContact OD1-CD1 3.3Å; D220-L243 WeakPolarHBondContact OD1-CG 3.37Å; D220-L243 WeakPolarHBondContact OD2-CB 3.41Å; D220-L243 WeakPolarHBondContact OD2-CD1 3.47Å; H241-L243 PolarHBondContact O-N 2.92Å; L243-P409 HydrophobicContact CD2-CB 3.33Å; L243-D410 HydrophobicContact CD2-CB 4.08Å
244	R	59.6	Low	68.4	Low	39 Å²	39	64.3 Å²	64.3	15%	0.147	34%	0.339	C	S	.	.			trans	-95.6	136.3	169.9	-69.1	-72.4	-174.7	-154.8	-13.4	110.6	R246 Y250 L252 P274 D410	R244-R246 PolarHBondContact O-N 3.43Å; R244-Y250 WeakPolarHBondContact CD-O 3.43Å; R244-L252 PolarHBondContact NE-O 3.46Å; R244-L252 PolarHBondContact NH2-O 2.86Å; R244-P274 VanDerWaalsContact NH2-CB 3.32Å; R244-D410 PolarHBondContact N-OD2 2.89Å
245	V	52.7	Low	68.1	Low	112 Å²	112	64.1 Å²	64.1	68%	0.679	33%	0.332	S	S	*	.			trans	-60.5	136.6	169.1	-174	0	0	0	0	109	T247 S248	V245-T247 PolarHBondContact O-N 2.95Å; V245-S248 WeakPolarHBondContact O-CB 3.5Å; V245-S248 PolarHBondContact O-N 3.25Å
246	R	48.2	Very low	68.2	Low	203 Å²	203	58.8 Å²	58.8	77%	0.766	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-15.9	-174.4	-65.8	-175.4	-174.9	162.3	5.5	116.1	R244 N411	R244-R246 PolarHBondContact O-N 3.43Å; R246-N411 PolarHBondContact NH2-ND2 3.38Å
247	T	50.6	Low	68.4	Low	129 Å²	129	62.6 Å²	62.6	79%	0.791	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-3	178.1	50	0	0	0	0	113.6	V245 Q249	V245-T247 PolarHBondContact O-N 2.95Å; T247-Q249 PolarHBondContact O-N 3.31Å
248	S	53.7	Low	68.6	Low	46 Å²	46	60.9 Å²	60.9	32%	0.322	31%	0.313	S	S	.	.			trans	-61.4	130.1	178.6	178.1	0	0	0	0	111.4	V245 Y250	V245-S248 WeakPolarHBondContact O-CB 3.5Å; V245-S248 PolarHBondContact O-N 3.25Å; S248-Y250 WeakPolarHBondContact CB-O 3.13Å; S248-Y250 PolarHBondContact O-N 2.9Å; S248-Y250 WeakPolarHBondContact OG-CA 3.49Å; S248-Y250 WeakPolarHBondContact OG-CB 3.48Å; S248-Y250 PolarHBondContact OG-N 2.84Å; S248-Y250 PolarHBondContact OG-O 3.01Å
249	Q	52.9	Low	68.7	Low	151 Å²	151	63.5 Å²	63.5	71%	0.706	33%	0.325	S	S	*	.	S	Bend	trans	-67.6	-13.7	167.6	68.9	-177.2	13.3	0	0	112.9	T247	T247-Q249 PolarHBondContact O-N 3.31Å
250	Y	60.8	Low	69.3	Low	63 Å²	63	63.5 Å²	63.5	25%	0.247	32%	0.322	C	S	.	.			trans	-103.8	118.2	178.1	-56.1	-59.8	0	0	0	110.4	R244 S248 P274 N275	R244-Y250 WeakPolarHBondContact CD-O 3.43Å; S248-Y250 WeakPolarHBondContact CB-O 3.13Å; S248-Y250 PolarHBondContact O-N 2.9Å; S248-Y250 WeakPolarHBondContact OG-CA 3.49Å; S248-Y250 WeakPolarHBondContact OG-CB 3.48Å; S248-Y250 PolarHBondContact OG-N 2.84Å; S248-Y250 PolarHBondContact OG-O 3.01Å; Y250-P274 VanDerWaalsContact CB-CB 3.49Å; Y250-P274 HydrophobicContact CD1-CB 3.94Å; Y250-P274 HydrophobicContact CG-CB 3.76Å; Y250-N275 HydrophobicContact CD1-CB 3.84Å; Y250-N275 HydrophobicContact CE1-CB 3.9Å
251	S	62.3	Low	69.7	Low	60 Å²	60	62.9 Å²	62.9	42%	0.42	33%	0.326	S	S	.	.			trans	-104.1	-1.2	-175.2	64.7	0	0	0	0	114	P274 T412	S251-P274 PolarHBondContact N-O 3.11Å; S251-T412 VanDerWaalsContact O-CG2 3.27Å; S251-T412 WeakPolarHBondContact O-CG2 3.48Å
252	L	65.8	Low	70.9	Confident	23 Å²	23	64.3 Å²	64.3	12%	0.12	34%	0.337	C	S	.	.	S	Bend	trans	-112.6	150.2	177.9	-55.7	179.7	0	0	0	110.1	R244 P274 I414	R244-L252 PolarHBondContact NE-O 3.46Å; R244-L252 PolarHBondContact NH2-O 2.86Å; L252-P274 PolarHBondContact N-O 2.93Å; L252-P274 WeakPolarHBondContact O-CB 3.44Å; L252-I414 HydrophobicContact CD2-CD1 3.55Å; L252-I414 HydrophobicContact CD2-CG1 3.99Å; L252-I414 HydrophobicContact CD2-CG2 4.28Å
253	P	71.4	Confident	72.4	Confident	24 Å²	24	62 Å²	62	16%	0.156	33%	0.326	C	S	.	.			trans	-63	163.8	162.2	28.6	-33.3	0	0	0	110.2	A239 V255	A239-P253 HydrophobicContact CB-CB 4.49Å; P253-V255 HydrophobicContact CB-CG2 4.29Å; P253-V255 HydrophobicContact CG-CG2 3.78Å
254	N	84.4	Confident	74.4	Confident	20 Å²	20	62.6 Å²	62.6	11%	0.107	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	136.8	156	-78	-41.6	0	0	0	107.3	A239 W240 H241 F271 P274	A239-N254 CarbonylContact C-O 3.56Å; A239-N254 WeakPolarHBondContact CA-O 3.41Å; W240-N254 HydrophobicContact CD2-CB 3.47Å; W240-N254 VanDerWaalsContact CD2-CB 3.47Å; W240-N254 HydrophobicContact CE3-CB 4Å; W240-N254 HydrophobicContact CG-CB 3.87Å; W240-N254 HydrophobicContact CH2-CB 4.31Å; W240-N254 HydrophobicContact CZ2-CB 3.79Å; W240-N254 HydrophobicContact CZ3-CB 4.38Å; W240-N254 PolarHBondContact N-O 3.49Å; W240-N254 PolarHBondContact NE1-ND2 3.43Å; W240-N254 PolarHBondContact O-N 3.09Å; H241-N254 PolarHBondContact CD2-ND2 2.93Å; N254-F271 HydrophobicContact CB-CE2 3.91Å; N254-F271 HydrophobicContact CB-CZ 3.95Å; N254-F271 WeakPolarHBondContact OD1-CZ 3.25Å; N254-P274 WeakPolarHBondContact OD1-CD 3.27Å; N254-P274 WeakPolarHBondContact OD1-CG 3.3Å
255	V	84.1	Confident	76.1	Confident	25 Å²	25	63 Å²	63	15%	0.152	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	122.7	175.8	-170.6	0	0	0	0	109.9	C237 H238 A239 P253 F271 H272	C237-V255 WeakPolarHBondContact SG-CG1 3.19Å; H238-V255 CarbonylContact O-C 3.55Å; H238-V255 WeakPolarHBondContact O-CA 3.39Å; A239-V255 HydrophobicContact CB-CB 4.5Å; A239-V255 HydrophobicContact CB-CG1 4.34Å; A239-V255 HydrophobicContact CB-CG2 3.94Å; P253-V255 HydrophobicContact CB-CG2 4.29Å; P253-V255 HydrophobicContact CG-CG2 3.78Å; V255-F271 CarbonylContact O-C 3.57Å; V255-F271 VanDerWaalsContact O-CA 3.32Å; V255-F271 WeakPolarHBondContact O-CA 3.39Å; V255-F271 VanDerWaalsContact O-CD2 3.28Å; V255-F271 WeakPolarHBondContact O-CD2 3.33Å; V255-H272 HydrophobicContact CB-CB 4.17Å; V255-H272 PolarHBondContact N-O 3.33Å; V255-H272 VanDerWaalsContact N-O 3.11Å; V255-H272 PolarHBondContact O-N 3.29Å
256	Y	87.7	Confident	78.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.2	163.2	177.4	-90.1	0	0	0	109.3	C237 H238 Q259 W260 R265 N266 T270 F271 W283	C237-Y256 CarbonylContact C-O 3.47Å; C237-Y256 WeakPolarHBondContact CA-O 3.35Å; H238-Y256 PolarHBondContact N-O 2.96Å; H238-Y256 PolarHBondContact O-N 2.77Å; Y256-Q259 PolarHBondContact OH-N 3.3Å; Y256-Q259 PolarHBondContact OH-O 3.23Å; Y256-W260 AromaticContact CD1-CE2 3.7Å; Y256-W260 AromaticContact CD1-CZ2 3.58Å; Y256-W260 HydrophobicContact CD1-CZ2 3.58Å; Y256-W260 AromaticContact CD1-NE1 3.53Å; Y256-W260 AromaticContact CE1-CE2 3.77Å; Y256-W260 HydrophobicContact CE1-CZ2 4.1Å; Y256-W260 AromaticContact CE1-NE1 3.39Å; Y256-W260 HydrophobicContact CG-CZ2 4.41Å; Y256-R265 HydrophobicContact CD1-CG 3.71Å; Y256-R265 HydrophobicContact CD2-CB 4.39Å; Y256-R265 VanDerWaalsContact CD2-CD 3.46Å; Y256-R265 HydrophobicContact CD2-CG 3.91Å; Y256-R265 HydrophobicContact CE1-CB 4.11Å; Y256-R265 HydrophobicContact CE1-CG 3.7Å; Y256-R265 HydrophobicContact CE2-CB 3.89Å; Y256-R265 HydrophobicContact CE2-CG 3.88Å; Y256-R265 HydrophobicContact CG-CG 3.81Å; Y256-N266 PolarHBondContact OH-O 3.48Å; Y256-T270 CarbonylContact C-O 3.14Å; Y256-T270 WeakPolarHBondContact CA-O 3.39Å; Y256-F271 HydrophobicContact CD2-CB 4.48Å; Y256-W283 HydrophobicContact CD2-CD2 4.41Å; Y256-W283 HydrophobicContact CD2-CZ2 4.2Å; Y256-W283 AromaticContact CE2-CD1 3.7Å; Y256-W283 AromaticContact CE2-CD2 3.73Å; Y256-W283 HydrophobicContact CE2-CD2 3.73Å; Y256-W283 AromaticContact CE2-CE2 3.6Å; Y256-W283 HydrophobicContact CE2-CE3 4.42Å; Y256-W283 AromaticContact CE2-CG 3.82Å; Y256-W283 HydrophobicContact CE2-CG 3.82Å; Y256-W283 HydrophobicContact CE2-CZ2 4.2Å; Y256-W283 AromaticContact CE2-NE1 3.56Å
257	D	82.2	Confident	80.2	Confident	86 Å²	86	50.9 Å²	50.9	46%	0.46	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113.6	171.4	-176.5	0.1	0	0	0	108.6	C237 G269 T270	C237-D257 HydrophobicContact CB-CB 4.5Å; D257-G269 CarbonylContact O-C 3.21Å; D257-G269 WeakPolarHBondContact O-CA 3.15Å; D257-T270 PolarHBondContact N-O 2.84Å; D257-T270 PolarHBondContact O-N 3.4Å
258	G	85.6	Confident	82.1	Confident	6 Å²	6	48.6 Å²	48.6	6%	0.062	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.5	-157.4	-173.7	0	0	0	0	0	114.9	L235 G236 L268	L235-G258 WeakPolarHBondContact CA-O 3.2Å; G236-G258 PolarHBondContact N-O 2.88Å; G236-G258 PolarHBondContact O-N 3.22Å; G258-L268 WeakPolarHBondContact CA-O 3.44Å
259	Q	90.9	Very high	83.6	Confident	80 Å²	80	46.8 Å²	46.8	37%	0.374	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	145.9	-179	-77.4	168.6	63.8	0	0	112.9	G234 L235 Y256 N266 L268	G234-Q259 CarbonylContact O-C 3.45Å; G234-Q259 VanDerWaalsContact O-CA 3.3Å; G234-Q259 WeakPolarHBondContact O-CA 3.43Å; L235-Q259 HydrophobicContact CD2-CG 3.7Å; Y256-Q259 PolarHBondContact OH-N 3.3Å; Y256-Q259 PolarHBondContact OH-O 3.23Å; Q259-N266 CarbonylContact C-O 3.45Å; Q259-N266 WeakPolarHBondContact CB-O 3.42Å; Q259-N266 PolarHBondContact O-N 3.46Å; Q259-L268 PolarHBondContact N-O 2.9Å
260	W	92.4	Very high	85.2	Confident	14 Å²	14	41 Å²	41	5%	0.053	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143	178.3	-67.9	77.7	0	0	0	109.8	Y223 Q232 N233 G234 G236 H238 Y256 G263 K264 R265	Y223-W260 HydrophobicContact CD2-CH2 4.45Å; Y223-W260 HydrophobicContact CD2-CZ2 4.08Å; Y223-W260 AromaticContact CE2-CD1 3.94Å; Y223-W260 AromaticContact CE2-CD2 3.81Å; Y223-W260 HydrophobicContact CE2-CD2 3.81Å; Y223-W260 AromaticContact CE2-CE2 3.57Å; Y223-W260 HydrophobicContact CE2-CE3 4.4Å; Y223-W260 HydrophobicContact CE2-CG 4.07Å; Y223-W260 AromaticContact CE2-CZ2 3.99Å; Y223-W260 HydrophobicContact CE2-CZ2 3.99Å; Y223-W260 AromaticContact CE2-NE1 3.63Å; Q232-W260 HydrophobicContact CB-CB 4.15Å; Q232-W260 HydrophobicContact CB-CD2 4.02Å; Q232-W260 HydrophobicContact CB-CE3 3.71Å; Q232-W260 HydrophobicContact CB-CG 4.21Å; Q232-W260 HydrophobicContact CB-CZ3 4.45Å; Q232-W260 HydrophobicContact CG-CE3 4.2Å; Q232-W260 HydrophobicContact CG-CZ3 4.49Å; N233-W260 WeakPolarHBondContact CA-O 3.29Å; N233-W260 PolarHBondContact OD1-O 2.75Å; G234-W260 PolarHBondContact N-O 2.95Å; G234-W260 PolarHBondContact O-N 2.99Å; G236-W260 PolarHBondContact O-NE1 3.34Å; H238-W260 HydrophobicContact CB-CH2 3.84Å; H238-W260 HydrophobicContact CB-CZ2 3.5Å; H238-W260 VanDerWaalsContact CB-CZ2 3.5Å; H238-W260 AromaticContact ND1-CH2 3.83Å; Y256-W260 AromaticContact CD1-CE2 3.7Å; Y256-W260 AromaticContact CD1-CZ2 3.58Å; Y256-W260 HydrophobicContact CD1-CZ2 3.58Å; Y256-W260 AromaticContact CD1-NE1 3.53Å; Y256-W260 AromaticContact CE1-CE2 3.77Å; Y256-W260 HydrophobicContact CE1-CZ2 4.1Å; Y256-W260 AromaticContact CE1-NE1 3.39Å; Y256-W260 HydrophobicContact CG-CZ2 4.41Å; W260-G263 WeakPolarHBondContact CZ3-O 3.29Å; W260-K264 CarbonylContact C-O 3.58Å; W260-K264 VanDerWaalsContact CA-O 3.3Å; W260-K264 WeakPolarHBondContact CA-O 3.32Å; W260-R265 HydrophobicContact CD2-CG 4.37Å; W260-R265 HydrophobicContact CE3-CG 4.29Å; W260-R265 HydrophobicContact CH2-CG 3.64Å; W260-R265 HydrophobicContact CZ2-CG 3.7Å; W260-R265 HydrophobicContact CZ3-CG 3.95Å
261	A	94.6	Very high	86.6	Confident	30 Å²	30	38.8 Å²	38.8	25%	0.248	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	124.1	172.3	0	0	0	0	0	109.7	G263 K264 N266	A261-G263 PolarHBondContact O-N 2.76Å; A261-G263 VanDerWaalsContact O-N 3.15Å; A261-K264 PolarHBondContact N-O 3.32Å; A261-K264 PolarHBondContact O-N 2.88Å; A261-N266 HydrophobicContact CB-CB 3.84Å
262	N	93.7	Very high	87.6	Confident	118 Å²	118	38.5 Å²	38.5	63%	0.631	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	36.3	176.3	-60.5	-38	0	0	0	115	Q232	Q232-N262 PolarHBondContact O-N 2.9Å
263	G	93	Very high	88.5	Confident	2 Å²	2	39.1 Å²	39.1	2%	0.021	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	-6.4	-179.5	0	0	0	0	0	115.3	I19 Q232 W260 A261	I19-G263 VanDerWaalsContact CD1-O 3.32Å; I19-G263 WeakPolarHBondContact CD1-O 3.28Å; Q232-G263 PolarHBondContact O-N 2.83Å; W260-G263 WeakPolarHBondContact CZ3-O 3.29Å; A261-G263 PolarHBondContact O-N 2.76Å; A261-G263 VanDerWaalsContact O-N 3.15Å
264	K	95.7	Very high	88.9	Confident	84 Å²	84	38.8 Å²	38.8	37%	0.365	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	149.8	-176.6	-59.4	-162.3	173.3	-168.7	0	112.8	W260 A261 N266 D285 D286	W260-K264 CarbonylContact C-O 3.58Å; W260-K264 VanDerWaalsContact CA-O 3.3Å; W260-K264 WeakPolarHBondContact CA-O 3.32Å; A261-K264 PolarHBondContact N-O 3.32Å; A261-K264 PolarHBondContact O-N 2.88Å; K264-N266 PolarHBondContact O-N 2.82Å; K264-D285 HydrophobicContact CD-CB 3.94Å; K264-D286 WeakPolarHBondContact CA-OD2 3.26Å; K264-D286 WeakPolarHBondContact CB-OD2 3.48Å; K264-D286 WeakPolarHBondContact CD-OD2 3.37Å; K264-D286 WeakPolarHBondContact CG-OD2 3.31Å
265	R	95.3	Very high	88.5	Confident	48 Å²	48	39.1 Å²	39.1	18%	0.181	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	129.8	170.1	-63.3	164.9	-75.5	170.2	-5.6	109.7	Y256 W260 W283 D285 D286	Y256-R265 HydrophobicContact CD1-CG 3.71Å; Y256-R265 HydrophobicContact CD2-CB 4.39Å; Y256-R265 VanDerWaalsContact CD2-CD 3.46Å; Y256-R265 HydrophobicContact CD2-CG 3.91Å; Y256-R265 HydrophobicContact CE1-CB 4.11Å; Y256-R265 HydrophobicContact CE1-CG 3.7Å; Y256-R265 HydrophobicContact CE2-CB 3.89Å; Y256-R265 HydrophobicContact CE2-CG 3.88Å; Y256-R265 HydrophobicContact CG-CG 3.81Å; W260-R265 HydrophobicContact CD2-CG 4.37Å; W260-R265 HydrophobicContact CE3-CG 4.29Å; W260-R265 HydrophobicContact CH2-CG 3.64Å; W260-R265 HydrophobicContact CZ2-CG 3.7Å; W260-R265 HydrophobicContact CZ3-CG 3.95Å; R265-W283 HydrophobicContact CB-CB 4.46Å; R265-W283 HydrophobicContact CB-CE3 4.32Å; R265-D285 PolarHBondContact O-N 3.3Å; R265-D286 WeakPolarHBondContact CB-OD1 3.31Å; R265-D286 WeakPolarHBondContact CG-OD1 3.28Å; R265-D286 IonicContact CZ-OD1 2.68Å; R265-D286 PolarHBondContact N-OD1 2.78Å; R265-D286 IonicContact NE-OD1 2.61Å; R265-D286 PolarHBondContact NE-OD1 3.2Å; R265-D286 PolarHBondContact NH2-O 3.2Å; R265-D286 IonicContact NH2-OD1 3.95Å; R265-D286 PolarHBondContact NH2-OD1 2.91Å; R265-D286 PolarHBondContact O-N 2.92Å
266	N	93.8	Very high	87.8	Confident	41 Å²	41	39.6 Å²	39.6	22%	0.219	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	177.6	-174	-140.7	-63.7	0	0	0	110	Y256 Q259 A261 K264 W283 D285	Y256-N266 PolarHBondContact OH-O 3.48Å; Q259-N266 CarbonylContact C-O 3.45Å; Q259-N266 WeakPolarHBondContact CB-O 3.42Å; Q259-N266 PolarHBondContact O-N 3.46Å; A261-N266 HydrophobicContact CB-CB 3.84Å; K264-N266 PolarHBondContact O-N 2.82Å; N266-W283 CarbonylContact C-O 3.53Å; N266-W283 WeakPolarHBondContact CA-O 3.38Å; N266-W283 PolarHBondContact OD1-O 3.05Å; N266-D285 PolarHBondContact ND2-N 2.8Å
267	G	92.8	Very high	87.3	Confident	18 Å²	18	39.7 Å²	39.7	19%	0.186	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.1	-142.4	176.2	0	0	0	0	0	113.7	Y282 W283	G267-Y282 CarbonylContact O-C 3.49Å; G267-Y282 WeakPolarHBondContact O-CA 3.31Å; G267-W283 PolarHBondContact N-O 2.93Å; G267-W283 PolarHBondContact O-N 2.87Å
268	L	90.5	Very high	87.3	Confident	81 Å²	81	37.2 Å²	37.2	42%	0.424	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	139.1	175.1	-73.6	166.6	0	0	0	111.4	G258 Q259 Y282	G258-L268 WeakPolarHBondContact CA-O 3.44Å; Q259-L268 PolarHBondContact N-O 2.9Å; L268-Y282 HydrophobicContact CD1-CE1 4.33Å; L268-Y282 HydrophobicContact CD2-CD1 3.67Å; L268-Y282 HydrophobicContact CD2-CD2 3.84Å; L268-Y282 HydrophobicContact CD2-CE1 3.59Å; L268-Y282 HydrophobicContact CD2-CE2 3.75Å; L268-Y282 HydrophobicContact CD2-CG 3.79Å; L268-Y282 HydrophobicContact CG-CD1 3.91Å; L268-Y282 HydrophobicContact CG-CE1 3.7Å
269	G	85	Confident	87.4	Confident	8 Å²	8	36.9 Å²	36.9	8%	0.082	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	154.8	174.4	0	0	0	0	0	114.7	D257 G281 W283	D257-G269 CarbonylContact O-C 3.21Å; D257-G269 WeakPolarHBondContact O-CA 3.15Å; G269-G281 PolarHBondContact N-O 2.84Å; G269-G281 PolarHBondContact O-N 2.9Å; G269-G281 VanDerWaalsContact O-N 3.1Å; G269-G281 VanDerWaalsContact O-O 3.14Å; G269-W283 PolarHBondContact O-NE1 2.78Å; G269-W283 VanDerWaalsContact O-NE1 3.11Å
270	T	86.1	Confident	87.2	Confident	30 Å²	30	35.7 Å²	35.7	18%	0.184	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.1	173.4	-58.4	0	0	0	0	109.9	Y256 D257 H272 K278 Y279 V280	Y256-T270 CarbonylContact C-O 3.14Å; Y256-T270 WeakPolarHBondContact CA-O 3.39Å; D257-T270 PolarHBondContact N-O 2.84Å; D257-T270 PolarHBondContact O-N 3.4Å; T270-H272 VanDerWaalsContact CG2-NE2 3.35Å; T270-H272 WeakPolarHBondContact CG2-NE2 3.31Å; T270-K278 HydrophobicContact CG2-CB 4.23Å; T270-K278 HydrophobicContact CG2-CD 3.99Å; T270-Y279 CarbonylContact C-O 3.4Å; T270-Y279 WeakPolarHBondContact CA-O 3.49Å; T270-V280 HydrophobicContact CG2-CG2 3.89Å
271	F	91.5	Very high	87	Confident	17 Å²	17	35.3 Å²	35.3	8%	0.075	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.2	171.3	-179.4	-114	0	0	0	110.9	W240 N254 V255 Y256 Y273 K278 Y279 W283	W240-F271 AromaticContact CH2-CD2 3.95Å; W240-F271 HydrophobicContact CH2-CD2 3.95Å; W240-F271 AromaticContact CH2-CE2 3.24Å; W240-F271 HydrophobicContact CH2-CE2 3.24Å; W240-F271 HydrophobicContact CH2-CZ 4.02Å; W240-F271 AromaticContact CZ2-CE2 3.55Å; W240-F271 HydrophobicContact CZ2-CE2 3.55Å; W240-F271 AromaticContact CZ2-CZ 3.86Å; W240-F271 HydrophobicContact CZ2-CZ 3.86Å; W240-F271 AromaticContact CZ3-CE2 3.97Å; W240-F271 HydrophobicContact CZ3-CE2 3.97Å; N254-F271 HydrophobicContact CB-CE2 3.91Å; N254-F271 HydrophobicContact CB-CZ 3.95Å; N254-F271 WeakPolarHBondContact OD1-CZ 3.25Å; V255-F271 CarbonylContact O-C 3.57Å; V255-F271 VanDerWaalsContact O-CA 3.32Å; V255-F271 WeakPolarHBondContact O-CA 3.39Å; V255-F271 VanDerWaalsContact O-CD2 3.28Å; V255-F271 WeakPolarHBondContact O-CD2 3.33Å; Y256-F271 HydrophobicContact CD2-CB 4.48Å; F271-Y273 HydrophobicContact CD1-CD1 4.1Å; F271-Y273 HydrophobicContact CD1-CD2 4.17Å; F271-Y273 AromaticContact CD1-CE1 3.79Å; F271-Y273 HydrophobicContact CD1-CE1 3.79Å; F271-Y273 AromaticContact CD1-CE2 3.87Å; F271-Y273 HydrophobicContact CD1-CE2 3.87Å; F271-Y273 HydrophobicContact CD1-CG 4.28Å; F271-Y273 AromaticContact CD1-CZ 3.66Å; F271-Y273 AromaticContact CE1-CD1 3.6Å; F271-Y273 HydrophobicContact CE1-CD1 3.6Å; F271-Y273 HydrophobicContact CE1-CD2 4.41Å; F271-Y273 AromaticContact CE1-CE1 3.54Å; F271-Y273 HydrophobicContact CE1-CE1 3.54Å; F271-Y273 HydrophobicContact CE1-CE2 4.36Å; F271-Y273 HydrophobicContact CE1-CG 4.05Å; F271-Y273 AromaticContact CE1-CZ 3.94Å; F271-K278 CarbonylContact O-C 3.56Å; F271-K278 WeakPolarHBondContact O-CA 3.15Å; F271-K278 WeakPolarHBondContact O-CB 3.33Å; F271-Y279 PolarHBondContact N-O 3.35Å; F271-Y279 PolarHBondContact O-N 3.24Å; F271-W283 HydrophobicContact CB-CH2 3.96Å; F271-W283 HydrophobicContact CB-CZ2 3.51Å; F271-W283 HydrophobicContact CG-CH2 4.26Å; F271-W283 HydrophobicContact CG-CZ2 4.29Å
272	H	82.9	Confident	86.9	Confident	53 Å²	53	39.2 Å²	39.2	25%	0.245	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.7	175.2	-59.1	-107.1	0	0	0	109.9	V255 T270 E449	V255-H272 HydrophobicContact CB-CB 4.17Å; V255-H272 PolarHBondContact N-O 3.33Å; V255-H272 VanDerWaalsContact N-O 3.11Å; V255-H272 PolarHBondContact O-N 3.29Å; T270-H272 VanDerWaalsContact CG2-NE2 3.35Å; T270-H272 WeakPolarHBondContact CG2-NE2 3.31Å; H272-E449 IonicContact CE1-OE1 2.69Å
273	Y	85.5	Confident	86.9	Confident	36 Å²	36	34 Å²	34	14%	0.141	18%	0.179	C	C	.	.			trans	-87.1	156.7	178.2	-64.6	-95	0	0	0	111.2	F271 N275 G276 S277 K288 L294	F271-Y273 HydrophobicContact CD1-CD1 4.1Å; F271-Y273 HydrophobicContact CD1-CD2 4.17Å; F271-Y273 AromaticContact CD1-CE1 3.79Å; F271-Y273 HydrophobicContact CD1-CE1 3.79Å; F271-Y273 AromaticContact CD1-CE2 3.87Å; F271-Y273 HydrophobicContact CD1-CE2 3.87Å; F271-Y273 HydrophobicContact CD1-CG 4.28Å; F271-Y273 AromaticContact CD1-CZ 3.66Å; F271-Y273 AromaticContact CE1-CD1 3.6Å; F271-Y273 HydrophobicContact CE1-CD1 3.6Å; F271-Y273 HydrophobicContact CE1-CD2 4.41Å; F271-Y273 AromaticContact CE1-CE1 3.54Å; F271-Y273 HydrophobicContact CE1-CE1 3.54Å; F271-Y273 HydrophobicContact CE1-CE2 4.36Å; F271-Y273 HydrophobicContact CE1-CG 4.05Å; F271-Y273 AromaticContact CE1-CZ 3.94Å; Y273-N275 WeakPolarHBondContact CB-OD1 3.38Å; Y273-N275 PolarHBondContact O-N 3.31Å; Y273-G276 PolarHBondContact O-N 2.8Å; Y273-S277 PolarHBondContact N-O 3.16Å; Y273-K288 VanDerWaalsContact OH-CE 3.31Å; Y273-K288 WeakPolarHBondContact OH-CE 3.22Å; Y273-L294 HydrophobicContact CE2-CD1 3.86Å
274	P	79.8	Confident	87	Confident	18 Å²	18	37.8 Å²	37.8	12%	0.117	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13	-173	-25.7	40	0	0	0	115.2	R244 Y250 S251 L252 N254	R244-P274 VanDerWaalsContact NH2-CB 3.32Å; Y250-P274 VanDerWaalsContact CB-CB 3.49Å; Y250-P274 HydrophobicContact CD1-CB 3.94Å; Y250-P274 HydrophobicContact CG-CB 3.76Å; S251-P274 PolarHBondContact N-O 3.11Å; L252-P274 PolarHBondContact N-O 2.93Å; L252-P274 WeakPolarHBondContact O-CB 3.44Å; N254-P274 WeakPolarHBondContact OD1-CD 3.27Å; N254-P274 WeakPolarHBondContact OD1-CG 3.3Å
275	N	74.7	Confident	86.9	Confident	27 Å²	27	37.4 Å²	37.4	14%	0.144	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	0.2	-178.6	74.8	-12.4	0	0	0	113.7	Y250 Y273 S277 K297 T333	Y250-N275 HydrophobicContact CD1-CB 3.84Å; Y250-N275 HydrophobicContact CE1-CB 3.9Å; Y273-N275 WeakPolarHBondContact CB-OD1 3.38Å; Y273-N275 PolarHBondContact O-N 3.31Å; N275-S277 VanDerWaalsContact CG-OG 3.29Å; N275-S277 PolarHBondContact ND2-OG 2.8Å; N275-S277 VanDerWaalsContact ND2-OG 3.08Å; N275-S277 WeakPolarHBondContact OD1-CB 3.33Å; N275-S277 PolarHBondContact OD1-N 2.89Å; N275-S277 PolarHBondContact OD1-OG 2.86Å; N275-K297 HydrophobicContact CB-CD 4.32Å; N275-K297 WeakPolarHBondContact O-CB 3.47Å; N275-T333 WeakPolarHBondContact ND2-CB 3.49Å; N275-T333 WeakPolarHBondContact ND2-CG2 3.42Å; N275-T333 PolarHBondContact ND2-OG1 3.27Å
276	G	69.8	Low	86.9	Confident	34 Å²	34	36.7 Å²	36.7	35%	0.351	20%	0.197	S	C	.	.	S	Bend	trans	91.5	0.1	-176.2	0	0	0	0	0	115.7	Y273	Y273-G276 PolarHBondContact O-N 2.8Å
277	S	76.9	Confident	86.9	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.014	20%	0.204	C	C	.	.			trans	-73.7	160.4	167	-44.2	0	0	0	0	109.9	Y273 N275 I295 K297	Y273-S277 PolarHBondContact N-O 3.16Å; N275-S277 VanDerWaalsContact CG-OG 3.29Å; N275-S277 PolarHBondContact ND2-OG 2.8Å; N275-S277 VanDerWaalsContact ND2-OG 3.08Å; N275-S277 WeakPolarHBondContact OD1-CB 3.33Å; N275-S277 PolarHBondContact OD1-N 2.89Å; N275-S277 PolarHBondContact OD1-OG 2.86Å; S277-I295 CarbonylContact C-O 3.45Å; S277-I295 WeakPolarHBondContact CA-O 3.49Å; S277-I295 VanDerWaalsContact CB-O 3.31Å; S277-I295 WeakPolarHBondContact CB-O 3.34Å; S277-K297 PolarHBondContact OG-N 2.86Å
278	K	82.8	Confident	87	Confident	34 Å²	34	38.3 Å²	38.3	15%	0.148	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152.1	168	62.6	179.6	-179.1	173.9	0	112.7	T270 F271 V280 I295 E449	T270-K278 HydrophobicContact CG2-CB 4.23Å; T270-K278 HydrophobicContact CG2-CD 3.99Å; F271-K278 CarbonylContact O-C 3.56Å; F271-K278 WeakPolarHBondContact O-CA 3.15Å; F271-K278 WeakPolarHBondContact O-CB 3.33Å; K278-V280 HydrophobicContact CD-CG2 4.39Å; K278-V280 HydrophobicContact CG-CG2 4.5Å; K278-I295 HydrophobicContact CD-CD1 4.5Å; K278-I295 HydrophobicContact CG-CB 4.05Å; K278-I295 HydrophobicContact CG-CD1 4.16Å; K278-I295 PolarHBondContact N-O 2.68Å; K278-I295 PolarHBondContact O-N 3.07Å; K278-E449 IonicContact NZ-OE1 3.47Å; K278-E449 PolarHBondContact NZ-OE1 2.88Å
279	Y	87.6	Confident	87.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135	166.8	167.3	-92.9	0	0	0	108.5	T270 F271 Y282 W283 K288 T293 F306	T270-Y279 CarbonylContact C-O 3.4Å; T270-Y279 WeakPolarHBondContact CA-O 3.49Å; F271-Y279 PolarHBondContact N-O 3.35Å; F271-Y279 PolarHBondContact O-N 3.24Å; Y279-Y282 PolarHBondContact OH-O 2.94Å; Y279-W283 AromaticContact CD1-CE2 3.85Å; Y279-W283 AromaticContact CD1-CZ2 3.57Å; Y279-W283 HydrophobicContact CD1-CZ2 3.57Å; Y279-W283 AromaticContact CD1-NE1 3.76Å; Y279-W283 AromaticContact CE1-CE2 3.72Å; Y279-W283 AromaticContact CE1-CZ2 3.87Å; Y279-W283 HydrophobicContact CE1-CZ2 3.87Å; Y279-W283 AromaticContact CE1-NE1 3.45Å; Y279-K288 HydrophobicContact CD1-CD 4.08Å; Y279-K288 HydrophobicContact CD1-CG 4.19Å; Y279-K288 HydrophobicContact CD2-CD 3.85Å; Y279-K288 HydrophobicContact CE1-CB 4.36Å; Y279-K288 HydrophobicContact CE1-CD 4.02Å; Y279-K288 HydrophobicContact CE1-CG 3.81Å; Y279-K288 HydrophobicContact CE2-CD 3.79Å; Y279-K288 HydrophobicContact CE2-CG 4.33Å; Y279-K288 HydrophobicContact CG-CD 3.97Å; Y279-T293 CarbonylContact C-O 3.42Å; Y279-T293 WeakPolarHBondContact CA-O 3.29Å; Y279-F306 HydrophobicContact CD2-CE2 4.21Å; Y279-F306 HydrophobicContact CD2-CZ 4.4Å; Y279-F306 AromaticContact CE2-CD2 3.82Å; Y279-F306 HydrophobicContact CE2-CD2 3.82Å; Y279-F306 AromaticContact CE2-CE2 3.47Å; Y279-F306 HydrophobicContact CE2-CE2 3.47Å; Y279-F306 VanDerWaalsContact CE2-CE2 3.47Å; Y279-F306 HydrophobicContact CE2-CZ 4.02Å
280	V	86.4	Confident	87.3	Confident	54 Å²	54	37.3 Å²	37.3	33%	0.327	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	114.2	176	-176.2	0	0	0	0	107.5	T270 K278 G292 T293 I295	T270-V280 HydrophobicContact CG2-CG2 3.89Å; K278-V280 HydrophobicContact CD-CG2 4.39Å; K278-V280 HydrophobicContact CG-CG2 4.5Å; V280-G292 CarbonylContact O-C 3.6Å; V280-G292 VanDerWaalsContact O-CA 3.24Å; V280-G292 WeakPolarHBondContact O-CA 3.38Å; V280-T293 PolarHBondContact N-O 3.18Å; V280-T293 PolarHBondContact O-N 2.72Å; V280-I295 HydrophobicContact CG2-CD1 4.42Å
281	G	88.3	Confident	87.4	Confident	6 Å²	6	43.4 Å²	43.4	6%	0.062	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.4	-164.4	-176	0	0	0	0	0	114.5	G269 K291	G269-G281 PolarHBondContact N-O 2.84Å; G269-G281 PolarHBondContact O-N 2.9Å; G269-G281 VanDerWaalsContact O-N 3.1Å; G269-G281 VanDerWaalsContact O-O 3.14Å; G281-K291 WeakPolarHBondContact CA-O 3.4Å
282	Y	92.7	Very high	87.2	Confident	113 Å²	113	42.7 Å²	42.7	44%	0.443	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	150.6	176.8	-63.4	-95	0	0	0	112.2	G267 L268 Y279 H289 K291	G267-Y282 CarbonylContact O-C 3.49Å; G267-Y282 WeakPolarHBondContact O-CA 3.31Å; L268-Y282 HydrophobicContact CD1-CE1 4.33Å; L268-Y282 HydrophobicContact CD2-CD1 3.67Å; L268-Y282 HydrophobicContact CD2-CD2 3.84Å; L268-Y282 HydrophobicContact CD2-CE1 3.59Å; L268-Y282 HydrophobicContact CD2-CE2 3.75Å; L268-Y282 HydrophobicContact CD2-CG 3.79Å; L268-Y282 HydrophobicContact CG-CD1 3.91Å; L268-Y282 HydrophobicContact CG-CE1 3.7Å; Y279-Y282 PolarHBondContact OH-O 2.94Å; Y282-H289 CarbonylContact C-O 3.56Å; Y282-H289 VanDerWaalsContact CB-O 3.3Å; Y282-H289 WeakPolarHBondContact CB-O 3.32Å; Y282-H289 PolarHBondContact O-N 3.35Å; Y282-K291 WeakPolarHBondContact CD2-O 3.21Å; Y282-K291 PolarHBondContact N-O 2.95Å
283	W	93.8	Very high	87.1	Confident	8 Å²	8	41.8 Å²	41.8	3%	0.03	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.1	177.5	-66.5	78.7	0	0	0	108.8	Y256 R265 N266 G267 G269 F271 Y279 D286 L287 K288	Y256-W283 HydrophobicContact CD2-CD2 4.41Å; Y256-W283 HydrophobicContact CD2-CZ2 4.2Å; Y256-W283 AromaticContact CE2-CD1 3.7Å; Y256-W283 AromaticContact CE2-CD2 3.73Å; Y256-W283 HydrophobicContact CE2-CD2 3.73Å; Y256-W283 AromaticContact CE2-CE2 3.6Å; Y256-W283 HydrophobicContact CE2-CE3 4.42Å; Y256-W283 AromaticContact CE2-CG 3.82Å; Y256-W283 HydrophobicContact CE2-CG 3.82Å; Y256-W283 HydrophobicContact CE2-CZ2 4.2Å; Y256-W283 AromaticContact CE2-NE1 3.56Å; R265-W283 HydrophobicContact CB-CB 4.46Å; R265-W283 HydrophobicContact CB-CE3 4.32Å; N266-W283 CarbonylContact C-O 3.53Å; N266-W283 WeakPolarHBondContact CA-O 3.38Å; N266-W283 PolarHBondContact OD1-O 3.05Å; G267-W283 PolarHBondContact N-O 2.93Å; G267-W283 PolarHBondContact O-N 2.87Å; G269-W283 PolarHBondContact O-NE1 2.78Å; G269-W283 VanDerWaalsContact O-NE1 3.11Å; F271-W283 HydrophobicContact CB-CH2 3.96Å; F271-W283 HydrophobicContact CB-CZ2 3.51Å; F271-W283 HydrophobicContact CG-CH2 4.26Å; F271-W283 HydrophobicContact CG-CZ2 4.29Å; Y279-W283 AromaticContact CD1-CE2 3.85Å; Y279-W283 AromaticContact CD1-CZ2 3.57Å; Y279-W283 HydrophobicContact CD1-CZ2 3.57Å; Y279-W283 AromaticContact CD1-NE1 3.76Å; Y279-W283 AromaticContact CE1-CE2 3.72Å; Y279-W283 AromaticContact CE1-CZ2 3.87Å; Y279-W283 HydrophobicContact CE1-CZ2 3.87Å; Y279-W283 AromaticContact CE1-NE1 3.45Å; W283-D286 WeakPolarHBondContact CZ3-O 3.38Å; W283-L287 CarbonylContact C-O 3.5Å; W283-L287 VanDerWaalsContact CA-O 3.31Å; W283-L287 WeakPolarHBondContact CA-O 3.24Å; W283-K288 HydrophobicContact CE3-CG 4.39Å; W283-K288 HydrophobicContact CH2-CG 3.86Å; W283-K288 HydrophobicContact CZ2-CG 4.02Å; W283-K288 HydrophobicContact CZ3-CG 4.05Å
284	K	95.4	Very high	86.8	Confident	82 Å²	82	41.4 Å²	41.4	36%	0.357	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	118.8	173.8	-177.7	-169.1	170.5	-157.9	0	108	D286 L287 H289	K284-D286 VanDerWaalsContact C-N 3.31Å; K284-D286 PolarHBondContact O-N 2.9Å; K284-L287 PolarHBondContact N-O 3.12Å; K284-L287 PolarHBondContact O-N 3.17Å; K284-H289 HydrophobicContact CB-CB 3.88Å
285	D	94.2	Very high	86.7	Confident	75 Å²	75	42.5 Å²	42.5	40%	0.401	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	51.1	176.4	-57.4	-53.1	0	0	0	113	K264 R265 N266 L287	K264-D285 HydrophobicContact CD-CB 3.94Å; R265-D285 PolarHBondContact O-N 3.3Å; N266-D285 PolarHBondContact ND2-N 2.8Å; D285-L287 VanDerWaalsContact C-N 3.27Å; D285-L287 PolarHBondContact O-N 3.24Å
286	D	94.5	Very high	86.6	Confident	34 Å²	34	41.9 Å²	41.9	18%	0.182	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	-5.1	-178	-66.9	-62.3	0	0	0	117.7	K264 R265 W283 K284	K264-D286 WeakPolarHBondContact CA-OD2 3.26Å; K264-D286 WeakPolarHBondContact CB-OD2 3.48Å; K264-D286 WeakPolarHBondContact CD-OD2 3.37Å; K264-D286 WeakPolarHBondContact CG-OD2 3.31Å; R265-D286 WeakPolarHBondContact CB-OD1 3.31Å; R265-D286 WeakPolarHBondContact CG-OD1 3.28Å; R265-D286 IonicContact CZ-OD1 2.68Å; R265-D286 PolarHBondContact N-OD1 2.78Å; R265-D286 IonicContact NE-OD1 2.61Å; R265-D286 PolarHBondContact NE-OD1 3.2Å; R265-D286 PolarHBondContact NH2-O 3.2Å; R265-D286 IonicContact NH2-OD1 3.95Å; R265-D286 PolarHBondContact NH2-OD1 2.91Å; R265-D286 PolarHBondContact O-N 2.92Å; W283-D286 WeakPolarHBondContact CZ3-O 3.38Å; K284-D286 VanDerWaalsContact C-N 3.31Å; K284-D286 PolarHBondContact O-N 2.9Å
287	L	94.4	Very high	86.4	Confident	70 Å²	70	46.2 Å²	46.2	37%	0.366	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	148	179.7	-52.6	177	0	0	0	112	W283 K284 D285 E308 D309	W283-L287 CarbonylContact C-O 3.5Å; W283-L287 VanDerWaalsContact CA-O 3.31Å; W283-L287 WeakPolarHBondContact CA-O 3.24Å; K284-L287 PolarHBondContact N-O 3.12Å; K284-L287 PolarHBondContact O-N 3.17Å; D285-L287 VanDerWaalsContact C-N 3.27Å; D285-L287 PolarHBondContact O-N 3.24Å; L287-E308 HydrophobicContact CD1-CB 3.82Å; L287-E308 HydrophobicContact CD1-CG 4.12Å; L287-D309 VanDerWaalsContact CA-OD2 3.29Å; L287-D309 WeakPolarHBondContact CA-OD2 3.45Å; L287-D309 WeakPolarHBondContact CD2-OD2 3.48Å
288	K	93.9	Very high	85.4	Confident	22 Å²	22	47.2 Å²	47.2	10%	0.096	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	139.4	170.2	-61.7	176.3	-155.8	84.1	0	110.5	Y273 Y279 W283 F306 E308 D309	Y273-K288 VanDerWaalsContact OH-CE 3.31Å; Y273-K288 WeakPolarHBondContact OH-CE 3.22Å; Y279-K288 HydrophobicContact CD1-CD 4.08Å; Y279-K288 HydrophobicContact CD1-CG 4.19Å; Y279-K288 HydrophobicContact CD2-CD 3.85Å; Y279-K288 HydrophobicContact CE1-CB 4.36Å; Y279-K288 HydrophobicContact CE1-CD 4.02Å; Y279-K288 HydrophobicContact CE1-CG 3.81Å; Y279-K288 HydrophobicContact CE2-CD 3.79Å; Y279-K288 HydrophobicContact CE2-CG 4.33Å; Y279-K288 HydrophobicContact CG-CD 3.97Å; W283-K288 HydrophobicContact CE3-CG 4.39Å; W283-K288 HydrophobicContact CH2-CG 3.86Å; W283-K288 HydrophobicContact CZ2-CG 4.02Å; W283-K288 HydrophobicContact CZ3-CG 4.05Å; K288-F306 HydrophobicContact CB-CB 4Å; K288-F306 HydrophobicContact CB-CD1 4.03Å; K288-F306 HydrophobicContact CB-CG 3.99Å; K288-F306 HydrophobicContact CD-CD1 4.16Å; K288-F306 HydrophobicContact CD-CE1 4.04Å; K288-F306 HydrophobicContact CD-CZ 4.39Å; K288-E308 PolarHBondContact O-N 2.76Å; K288-D309 WeakPolarHBondContact CB-OD1 3.5Å; K288-D309 WeakPolarHBondContact CD-OD1 3.33Å; K288-D309 WeakPolarHBondContact CG-OD1 3.13Å; K288-D309 PolarHBondContact N-OD1 2.77Å; K288-D309 PolarHBondContact N-OD2 2.75Å; K288-D309 IonicContact NZ-OD1 3.93Å; K288-D309 PolarHBondContact NZ-OD1 2.83Å; K288-D309 PolarHBondContact O-N 3.1Å
289	H	92.1	Very high	83.8	Confident	47 Å²	47	46.2 Å²	46.2	22%	0.218	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	168.5	-177.3	-155.6	83.2	0	0	0	110.3	Y282 K284 F306 Y307	Y282-H289 CarbonylContact C-O 3.56Å; Y282-H289 VanDerWaalsContact CB-O 3.3Å; Y282-H289 WeakPolarHBondContact CB-O 3.32Å; Y282-H289 PolarHBondContact O-N 3.35Å; K284-H289 HydrophobicContact CB-CB 3.88Å; H289-F306 CarbonylContact C-O 3.45Å; H289-F306 VanDerWaalsContact C-O 3.29Å; H289-F306 WeakPolarHBondContact CA-O 3.46Å; H289-Y307 AromaticContact CE1-CD2 3.43Å; H289-Y307 VanDerWaalsContact CE1-CD2 3.43Å; H289-Y307 WeakPolarHBondContact CE1-CD2 3.37Å; H289-Y307 AromaticContact CE1-CE2 3.66Å
290	G	90.8	Very high	82.5	Confident	21 Å²	21	51.1 Å²	51.1	22%	0.216	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.1	-154.3	174.8	0	0	0	0	0	114.2	T305 F306	G290-T305 CarbonylContact O-C 3.55Å; G290-T305 WeakPolarHBondContact O-CA 3.21Å; G290-F306 PolarHBondContact N-O 2.87Å; G290-F306 PolarHBondContact O-N 2.87Å
291	K	88.6	Confident	81.5	Confident	158 Å²	158	53.8 Å²	53.8	69%	0.687	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	140.7	175.3	-65.5	-172.8	177.9	-172.3	0	110.9	G281 Y282	G281-K291 WeakPolarHBondContact CA-O 3.4Å; Y282-K291 WeakPolarHBondContact CD2-O 3.21Å; Y282-K291 PolarHBondContact N-O 2.95Å
292	G	85.9	Confident	80.8	Confident	3 Å²	3	56.4 Å²	56.4	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	157.7	172	0	0	0	0	0	113.5	V280 R304	V280-G292 CarbonylContact O-C 3.6Å; V280-G292 VanDerWaalsContact O-CA 3.24Å; V280-G292 WeakPolarHBondContact O-CA 3.38Å; G292-R304 PolarHBondContact N-O 2.67Å; G292-R304 PolarHBondContact O-N 3.18Å; G292-R304 VanDerWaalsContact O-O 3.06Å
293	T	80.1	Confident	80.2	Confident	34 Å²	34	58.6 Å²	58.6	21%	0.209	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	114.4	-171	-56.6	0	0	0	0	109.2	Y279 V280 I295 I301 F302 E303	Y279-T293 CarbonylContact C-O 3.42Å; Y279-T293 WeakPolarHBondContact CA-O 3.29Å; V280-T293 PolarHBondContact N-O 3.18Å; V280-T293 PolarHBondContact O-N 2.72Å; T293-I295 HydrophobicContact CG2-CG1 4.21Å; T293-I301 HydrophobicContact CG2-CG2 3.28Å; T293-F302 WeakPolarHBondContact CA-O 3.45Å; T293-E303 HydrophobicContact CG2-CG 4.23Å
294	L	80.7	Confident	79.7	Confident	28 Å²	28	63.2 Å²	63.2	15%	0.147	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.2	173.8	-176.1	71.3	0	0	0	109.4	Y273 L296 I301 F302	Y273-L294 HydrophobicContact CE2-CD1 3.86Å; L294-L296 HydrophobicContact CD2-CD2 3.84Å; L294-L296 HydrophobicContact CG-CD2 4.01Å; L294-I301 CarbonylContact O-C 3.4Å; L294-I301 WeakPolarHBondContact O-CA 3.45Å; L294-F302 HydrophobicContact CB-CB 4.41Å; L294-F302 PolarHBondContact N-O 3.16Å; L294-F302 PolarHBondContact O-N 3.33Å
295	I	76.8	Confident	79.3	Confident	40 Å²	40	62.1 Å²	62.1	21%	0.205	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	110.9	176.2	-59.4	163.1	0	0	0	106.9	S277 K278 V280 T293 R300 I301	S277-I295 CarbonylContact C-O 3.45Å; S277-I295 WeakPolarHBondContact CA-O 3.49Å; S277-I295 VanDerWaalsContact CB-O 3.31Å; S277-I295 WeakPolarHBondContact CB-O 3.34Å; K278-I295 HydrophobicContact CD-CD1 4.5Å; K278-I295 HydrophobicContact CG-CB 4.05Å; K278-I295 HydrophobicContact CG-CD1 4.16Å; K278-I295 PolarHBondContact N-O 2.68Å; K278-I295 PolarHBondContact O-N 3.07Å; V280-I295 HydrophobicContact CG2-CD1 4.42Å; T293-I295 HydrophobicContact CG2-CG1 4.21Å; I295-R300 CarbonylContact C-O 3.21Å; I295-R300 WeakPolarHBondContact CA-O 3.23Å; I295-I301 HydrophobicContact CG1-CG1 4.23Å; I295-I301 HydrophobicContact CG1-CG2 4.27Å
296	L	73.2	Confident	79	Confident	14 Å²	14	59.2 Å²	59.2	7%	0.073	29%	0.287	C	S	.	.			trans	-74.9	161.3	179.8	-62.9	-172.5	0	0	0	111.9	L294 D298 G299 R300 F302 I335	L294-L296 HydrophobicContact CD2-CD2 3.84Å; L294-L296 HydrophobicContact CG-CD2 4.01Å; L296-D298 WeakPolarHBondContact CB-OD1 3.43Å; L296-D298 PolarHBondContact O-N 3.44Å; L296-G299 PolarHBondContact O-N 3.02Å; L296-R300 HydrophobicContact CB-CB 4.41Å; L296-R300 HydrophobicContact CD1-CB 4.32Å; L296-R300 PolarHBondContact N-O 3.12Å; L296-F302 HydrophobicContact CD1-CD2 4.39Å; L296-F302 HydrophobicContact CD1-CE2 3.64Å; L296-F302 HydrophobicContact CG-CD2 4.29Å; L296-F302 HydrophobicContact CG-CE2 3.97Å; L296-I335 HydrophobicContact CD1-CD1 4.04Å
297	K	65	Low	78.9	Confident	126 Å²	126	62.6 Å²	62.6	55%	0.548	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-15.7	175.3	67.5	170.5	-175.2	171.8	0	115.4	N275 S277	N275-K297 HydrophobicContact CB-CD 4.32Å; N275-K297 WeakPolarHBondContact O-CB 3.47Å; S277-K297 PolarHBondContact OG-N 2.86Å
298	D	56.8	Low	78.6	Confident	23 Å²	23	63 Å²	63	12%	0.123	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	10.7	177.5	59.3	26	0	0	0	113.3	L296 R300 N363	L296-D298 WeakPolarHBondContact CB-OD1 3.43Å; L296-D298 PolarHBondContact O-N 3.44Å; D298-R300 VanDerWaalsContact C-N 3.34Å; D298-R300 VanDerWaalsContact CG-NE 3.32Å; D298-R300 PolarHBondContact O-N 3.49Å; D298-R300 WeakPolarHBondContact OD1-CB 3.46Å; D298-R300 WeakPolarHBondContact OD1-CG 3.47Å; D298-R300 IonicContact OD1-CZ 3.32Å; D298-R300 PolarHBondContact OD1-N 3.15Å; D298-R300 IonicContact OD1-NE 2.82Å; D298-R300 PolarHBondContact OD1-NE 2.89Å; D298-R300 IonicContact OD1-NH2 2.9Å; D298-R300 IonicContact OD2-CZ 2.78Å; D298-R300 VanDerWaalsContact OD2-CZ 3.23Å; D298-R300 IonicContact OD2-NE 3.48Å; D298-R300 PolarHBondContact OD2-NE 3.45Å; D298-R300 IonicContact OD2-NH2 3.93Å; D298-R300 PolarHBondContact OD2-NH2 2.85Å; D298-N363 PolarHBondContact O-ND2 3.35Å
299	G	49.8	Very low	78.4	Confident	13 Å²	13	63.5 Å²	63.5	13%	0.134	30%	0.301	C	S	.	.	S	Bend	trans	84.9	-6.6	177.2	0	0	0	0	0	115.4	L296 I301 Y364	L296-G299 PolarHBondContact O-N 3.02Å; G299-I301 WeakPolarHBondContact O-CG1 3.42Å; G299-I301 PolarHBondContact O-N 3.37Å; G299-Y364 WeakPolarHBondContact CA-OH 3.41Å; G299-Y364 PolarHBondContact N-OH 3.16Å
300	R	59.8	Low	78	Confident	102 Å²	102	68.1 Å²	68.1	39%	0.385	32%	0.317	S	S	.	.			trans	-64.8	128.8	178	-68.6	-179.3	-71.4	169.7	-4.7	111	I295 L296 D298 F302 N363	I295-R300 CarbonylContact C-O 3.21Å; I295-R300 WeakPolarHBondContact CA-O 3.23Å; L296-R300 HydrophobicContact CB-CB 4.41Å; L296-R300 HydrophobicContact CD1-CB 4.32Å; L296-R300 PolarHBondContact N-O 3.12Å; D298-R300 VanDerWaalsContact C-N 3.34Å; D298-R300 VanDerWaalsContact CG-NE 3.32Å; D298-R300 PolarHBondContact O-N 3.49Å; D298-R300 WeakPolarHBondContact OD1-CB 3.46Å; D298-R300 WeakPolarHBondContact OD1-CG 3.47Å; D298-R300 IonicContact OD1-CZ 3.32Å; D298-R300 PolarHBondContact OD1-N 3.15Å; D298-R300 IonicContact OD1-NE 2.82Å; D298-R300 PolarHBondContact OD1-NE 2.89Å; D298-R300 IonicContact OD1-NH2 2.9Å; D298-R300 IonicContact OD2-CZ 2.78Å; D298-R300 VanDerWaalsContact OD2-CZ 3.23Å; D298-R300 IonicContact OD2-NE 3.48Å; D298-R300 PolarHBondContact OD2-NE 3.45Å; D298-R300 IonicContact OD2-NH2 3.93Å; D298-R300 PolarHBondContact OD2-NH2 2.85Å; R300-F302 HydrophobicContact CB-CD2 4.49Å; R300-F302 HydrophobicContact CB-CE2 3.66Å; R300-F302 HydrophobicContact CB-CZ 4.18Å; R300-N363 WeakPolarHBondContact CG-ND2 3.19Å
301	I	65.9	Low	77.7	Confident	110 Å²	110	71.6 Å²	71.6	56%	0.564	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.7	-177.2	-51.4	-171	0	0	0	109.2	T293 L294 I295 G299	T293-I301 HydrophobicContact CG2-CG2 3.28Å; L294-I301 CarbonylContact O-C 3.4Å; L294-I301 WeakPolarHBondContact O-CA 3.45Å; I295-I301 HydrophobicContact CG1-CG1 4.23Å; I295-I301 HydrophobicContact CG1-CG2 4.27Å; G299-I301 WeakPolarHBondContact O-CG1 3.42Å; G299-I301 PolarHBondContact O-N 3.37Å
302	F	72	Confident	77.4	Confident	62 Å²	62	67.1 Å²	67.1	27%	0.272	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	108.4	176.9	-60.6	-90.1	0	0	0	110.1	T293 L294 L296 R300	T293-F302 WeakPolarHBondContact CA-O 3.45Å; L294-F302 HydrophobicContact CB-CB 4.41Å; L294-F302 PolarHBondContact N-O 3.16Å; L294-F302 PolarHBondContact O-N 3.33Å; L296-F302 HydrophobicContact CD1-CD2 4.39Å; L296-F302 HydrophobicContact CD1-CE2 3.64Å; L296-F302 HydrophobicContact CG-CD2 4.29Å; L296-F302 HydrophobicContact CG-CE2 3.97Å; R300-F302 HydrophobicContact CB-CD2 4.49Å; R300-F302 HydrophobicContact CB-CE2 3.66Å; R300-F302 HydrophobicContact CB-CZ 4.18Å
303	E	81.2	Confident	76.3	Confident	159 Å²	159	71.6 Å²	71.6	74%	0.743	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	131.2	168.2	-58.9	-169.4	168.1	0	0	109.8	T293	T293-E303 HydrophobicContact CG2-CG 4.23Å
304	R	83.8	Confident	75.1	Confident	104 Å²	104	75.1 Å²	75.1	39%	0.392	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161.6	-177.4	-64.8	-65.6	-179.9	170	-2.5	110.6	G292 F306 L311 D313	G292-R304 PolarHBondContact N-O 2.67Å; G292-R304 PolarHBondContact O-N 3.18Å; G292-R304 VanDerWaalsContact O-O 3.06Å; R304-F306 HydrophobicContact CB-CD2 4.3Å; R304-F306 HydrophobicContact CB-CE2 3.64Å; R304-F306 HydrophobicContact CB-CZ 4.13Å; R304-L311 HydrophobicContact CB-CD2 3.52Å; R304-L311 HydrophobicContact CG-CD2 3.65Å; R304-D313 IonicContact NH1-OD1 3.21Å
305	T	87	Confident	73.4	Confident	60 Å²	60	81.4 Å²	81.4	37%	0.368	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.3	167.9	-51.3	0	0	0	0	108.4	G290 I312	G290-T305 CarbonylContact O-C 3.55Å; G290-T305 WeakPolarHBondContact O-CA 3.21Å; T305-I312 PolarHBondContact O-N 2.84Å
306	F	87.5	Confident	71.6	Confident	14 Å²	14	81.9 Å²	81.9	6%	0.061	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.4	178.7	-66.2	-97.9	0	0	0	110.9	Y279 K288 H289 G290 R304 R310 L311	Y279-F306 HydrophobicContact CD2-CE2 4.21Å; Y279-F306 HydrophobicContact CD2-CZ 4.4Å; Y279-F306 AromaticContact CE2-CD2 3.82Å; Y279-F306 HydrophobicContact CE2-CD2 3.82Å; Y279-F306 AromaticContact CE2-CE2 3.47Å; Y279-F306 HydrophobicContact CE2-CE2 3.47Å; Y279-F306 VanDerWaalsContact CE2-CE2 3.47Å; Y279-F306 HydrophobicContact CE2-CZ 4.02Å; K288-F306 HydrophobicContact CB-CB 4Å; K288-F306 HydrophobicContact CB-CD1 4.03Å; K288-F306 HydrophobicContact CB-CG 3.99Å; K288-F306 HydrophobicContact CD-CD1 4.16Å; K288-F306 HydrophobicContact CD-CE1 4.04Å; K288-F306 HydrophobicContact CD-CZ 4.39Å; H289-F306 CarbonylContact C-O 3.45Å; H289-F306 VanDerWaalsContact C-O 3.29Å; H289-F306 WeakPolarHBondContact CA-O 3.46Å; G290-F306 PolarHBondContact N-O 2.87Å; G290-F306 PolarHBondContact O-N 2.87Å; R304-F306 HydrophobicContact CB-CD2 4.3Å; R304-F306 HydrophobicContact CB-CE2 3.64Å; R304-F306 HydrophobicContact CB-CZ 4.13Å; F306-R310 CarbonylContact C-O 3.33Å; F306-R310 WeakPolarHBondContact CA-O 3.42Å; F306-L311 HydrophobicContact CD1-CD2 3.99Å; F306-L311 HydrophobicContact CD1-CG 4.38Å; F306-L311 HydrophobicContact CE1-CD2 3.43Å; F306-L311 VanDerWaalsContact CE1-CD2 3.43Å; F306-L311 HydrophobicContact CE1-CG 3.92Å; F306-L311 HydrophobicContact CE2-CD2 4.01Å; F306-L311 HydrophobicContact CZ-CD2 3.44Å; F306-L311 VanDerWaalsContact CZ-CD2 3.44Å; F306-L311 HydrophobicContact CZ-CG 4.38Å
307	Y	91.1	Very high	69.9	Low	105 Å²	105	89.9 Å²	89.9	41%	0.412	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	109.8	167	-177.1	-79	0	0	0	108	H289 D309 R310 I312	H289-Y307 AromaticContact CE1-CD2 3.43Å; H289-Y307 VanDerWaalsContact CE1-CD2 3.43Å; H289-Y307 WeakPolarHBondContact CE1-CD2 3.37Å; H289-Y307 AromaticContact CE1-CE2 3.66Å; Y307-D309 PolarHBondContact O-N 2.87Å; Y307-R310 PolarHBondContact N-O 2.84Å; Y307-R310 WeakPolarHBondContact O-CB 3.26Å; Y307-R310 PolarHBondContact O-N 2.79Å; Y307-R310 VanDerWaalsContact O-N 3.09Å; Y307-I312 HydrophobicContact CG-CD1 4.36Å
308	E	89.6	Confident	68.6	Low	78 Å²	78	87.8 Å²	87.8	36%	0.364	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	54.7	178.3	-64.2	173.1	-179	0	0	110.7	L287 K288 R310	L287-E308 HydrophobicContact CD1-CB 3.82Å; L287-E308 HydrophobicContact CD1-CG 4.12Å; K288-E308 PolarHBondContact O-N 2.76Å; E308-R310 PolarHBondContact O-N 2.81Å
309	D	89	Confident	67.6	Low	32 Å²	32	94.3 Å²	94.3	17%	0.171	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	-7.2	-173.2	-93	-56.6	0	0	0	117.4	L287 K288 Y307	L287-D309 VanDerWaalsContact CA-OD2 3.29Å; L287-D309 WeakPolarHBondContact CA-OD2 3.45Å; L287-D309 WeakPolarHBondContact CD2-OD2 3.48Å; K288-D309 WeakPolarHBondContact CB-OD1 3.5Å; K288-D309 WeakPolarHBondContact CD-OD1 3.33Å; K288-D309 WeakPolarHBondContact CG-OD1 3.13Å; K288-D309 PolarHBondContact N-OD1 2.77Å; K288-D309 PolarHBondContact N-OD2 2.75Å; K288-D309 IonicContact NZ-OD1 3.93Å; K288-D309 PolarHBondContact NZ-OD1 2.83Å; K288-D309 PolarHBondContact O-N 3.1Å; Y307-D309 PolarHBondContact O-N 2.87Å
310	R	83.7	Confident	66.9	Low	145 Å²	145	98.6 Å²	98.6	55%	0.547	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	139.3	176.5	-55.3	179	-170.5	-179.3	2.7	111	F306 Y307 E308	F306-R310 CarbonylContact C-O 3.33Å; F306-R310 WeakPolarHBondContact CA-O 3.42Å; Y307-R310 PolarHBondContact N-O 2.84Å; Y307-R310 WeakPolarHBondContact O-CB 3.26Å; Y307-R310 PolarHBondContact O-N 2.79Å; Y307-R310 VanDerWaalsContact O-N 3.09Å; E308-R310 PolarHBondContact O-N 2.81Å
311	L	84.5	Confident	65.7	Low	93 Å²	93	98.7 Å²	98.7	49%	0.487	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.2	171	-73	165.9	0	0	0	110	R304 F306	R304-L311 HydrophobicContact CB-CD2 3.52Å; R304-L311 HydrophobicContact CG-CD2 3.65Å; F306-L311 HydrophobicContact CD1-CD2 3.99Å; F306-L311 HydrophobicContact CD1-CG 4.38Å; F306-L311 HydrophobicContact CE1-CD2 3.43Å; F306-L311 VanDerWaalsContact CE1-CD2 3.43Å; F306-L311 HydrophobicContact CE1-CG 3.92Å; F306-L311 HydrophobicContact CE2-CD2 4.01Å; F306-L311 HydrophobicContact CZ-CD2 3.44Å; F306-L311 VanDerWaalsContact CZ-CD2 3.44Å; F306-L311 HydrophobicContact CZ-CG 4.38Å
312	I	82.5	Confident	64.1	Low	65 Å²	65	97.9 Å²	97.9	33%	0.333	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.9	166.8	-62.3	176.7	0	0	0	108	T305 Y307	T305-I312 PolarHBondContact O-N 2.84Å; Y307-I312 HydrophobicContact CG-CD1 4.36Å
313	D	62.4	Low	62.3	Low	97 Å²	97	100.8 Å²	100.8	52%	0.519	56%	0.556	S	S	.	*			trans	-76.9	144	171.5	-75.7	-43	0	0	0	111	R304 N315 S316	R304-D313 IonicContact NH1-OD1 3.21Å; D313-N315 PolarHBondContact O-N 2.76Å; D313-S316 PolarHBondContact O-N 2.79Å; D313-S316 PolarHBondContact O-OG 2.97Å
314	A	54	Low	60	Low	107 Å²	107	100.4 Å²	100.4	88%	0.884	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-3.1	-174.9	0	0	0	0	0	114.6
315	N	45.8	Very low	57.7	Low	160 Å²	160	103.8 Å²	103.8	86%	0.856	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	8.4	-176.5	-67.4	-20.5	0	0	0	114.1	D313	D313-N315 PolarHBondContact O-N 2.76Å
316	S	40.1	Very low	55	Low	50 Å²	50	106.6 Å²	106.6	35%	0.35	60%	0.598	S	S	.	*			trans	-109.5	86.7	177.1	62.9	0	0	0	0	112.9	D313 S318	D313-S316 PolarHBondContact O-N 2.79Å; D313-S316 PolarHBondContact O-OG 2.97Å; S316-S318 PolarHBondContact O-N 2.8Å
317	D	37.1	Very low	52.2	Low	183 Å²	183	109.6 Å²	109.6	98%	0.979	62%	0.621	S	S	*	*			trans	-69.6	30	169.1	-82.7	-33.3	0	0	0	113.6
318	S	38	Very low	49.8	Very low	82 Å²	82	107.9 Å²	107.9	57%	0.573	62%	0.619	S	S	*	*	S	Bend	trans	-141.2	118.7	-178.5	59.8	0	0	0	0	110.2	S316 P320	S316-S318 PolarHBondContact O-N 2.8Å; S318-P320 WeakPolarHBondContact O-CD 3.34Å
319	L	34.6	Very low	47.2	Very low	160 Å²	160	112.2 Å²	112.2	84%	0.838	64%	0.639	S	S	*	*			trans	-50.8	128.8	168.4	-94.2	74.5	0	0	0	109.8	S321	L319-S321 PolarHBondContact O-N 2.68Å
320	P	34.7	Very low	44.5	Very low	102 Å²	102	121.7 Å²	121.7	66%	0.662	67%	0.672	S	S	*	*			trans	-67.9	102.5	169.8	-17.3	31.2	0	0	0	109.6	S318 S322	S318-P320 WeakPolarHBondContact O-CD 3.34Å; P320-S322 PolarHBondContact O-N 2.72Å
321	S	34.5	Very low	42.1	Very low	105 Å²	105	119 Å²	119	73%	0.734	67%	0.668	S	S	*	*			trans	-63.9	121	168	54.8	0	0	0	0	109.7	L319	L319-S321 PolarHBondContact O-N 2.68Å
322	S	33.1	Very low	39.5	Very low	93 Å²	93	117.4 Å²	117.4	65%	0.65	66%	0.66	S	S	*	*	S	Bend	trans	24.4	135.7	157.4	65.6	0	0	0	0	120.7	P320	P320-S322 PolarHBondContact O-N 2.72Å
323	V	33.2	Very low	37.1	Very low	123 Å²	123	116.5 Å²	116.5	75%	0.745	66%	0.658	S	S	*	*	S	Bend	trans	88.5	132.9	162.8	-162.9	0	0	0	0	115
324	D	33.9	Very low	35.5	Very low	150 Å²	150	121.3 Å²	121.3	80%	0.802	67%	0.668	S	S	*	*			trans	63	68.3	170.4	-57.4	-21.3	0	0	0	120.4
325	Q	35.3	Very low	34.4	Very low	176 Å²	176	120.9 Å²	120.9	82%	0.822	65%	0.65	S	S	*	*			trans	-134.9	148.3	145.4	-77.2	-166	-16.8	0	0	111.3
326	P	30.6	Very low	33.4	Very low	119 Å²	119	118.5 Å²	118.5	77%	0.773	64%	0.643	S	S	*	*			trans	-69.9	145.5	-172.3	-13.9	28.8	0	0	0	112.7
327	S	28.5	Very low	32.8	Very low	77 Å²	77	124 Å²	124	54%	0.538	67%	0.668	S	S	.	*			trans	-62.3	138.8	172.5	60.1	0	0	0	0	111.4	E329	S327-E329 WeakPolarHBondContact CB-OE2 3.48Å; S327-E329 PolarHBondContact O-N 3.28Å; S327-E329 PolarHBondContact OG-OE2 3.05Å
328	L	40.7	Very low	32.5	Very low	69 Å²	69	120.5 Å²	120.5	36%	0.361	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-69.7	1.1	179.7	-98	89.5	0	0	0	113.9	R330 L331	L328-R330 PolarHBondContact O-N 3.5Å; L328-L331 HydrophobicContact CB-CD1 4.1Å; L328-L331 HydrophobicContact CD2-CD1 3.85Å; L328-L331 HydrophobicContact CD2-CD2 4.26Å; L328-L331 HydrophobicContact CG-CD1 3.73Å; L328-L331 PolarHBondContact O-N 3.38Å; L328-L331 VanDerWaalsContact O-N 3.07Å
329	E	35	Very low	31.9	Very low	168 Å²	168	122.5 Å²	122.5	79%	0.785	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-60.5	-15.1	-179.3	-62.5	168.6	138.1	0	0	113.5	S327	S327-E329 WeakPolarHBondContact CB-OE2 3.48Å; S327-E329 PolarHBondContact O-N 3.28Å; S327-E329 PolarHBondContact OG-OE2 3.05Å
330	R	31.8	Very low	31.7	Very low	232 Å²	232	122.9 Å²	122.9	88%	0.875	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-101.5	29.7	173.8	-81	-168.2	168.6	118.1	-0.6	114.9	L328 D332	L328-R330 PolarHBondContact O-N 3.5Å; R330-D332 PolarHBondContact O-N 3.42Å
331	L	34.2	Very low	31.4	Very low	87 Å²	87	129.3 Å²	129.3	46%	0.455	67%	0.672	S	S	.	*			trans	-70.8	61.4	167	-104.1	75.8	0	0	0	113.1	L328 T333	L328-L331 HydrophobicContact CB-CD1 4.1Å; L328-L331 HydrophobicContact CD2-CD1 3.85Å; L328-L331 HydrophobicContact CD2-CD2 4.26Å; L328-L331 HydrophobicContact CG-CD1 3.73Å; L328-L331 PolarHBondContact O-N 3.38Å; L328-L331 VanDerWaalsContact O-N 3.07Å; L331-T333 PolarHBondContact O-N 3.45Å
332	D	29.2	Very low	31.3	Very low	61 Å²	61	129.7 Å²	129.7	33%	0.326	68%	0.675	S	S	.	*			trans	-55.2	130.3	141.7	-175.5	23.7	0	0	0	107.1	R330 R334	R330-D332 PolarHBondContact O-N 3.42Å; D332-R334 PolarHBondContact O-N 3.01Å; D332-R334 IonicContact OD2-CZ 3.75Å; D332-R334 IonicContact OD2-NE 3.47Å; D332-R334 PolarHBondContact OD2-NE 3.23Å; D332-R334 IonicContact OD2-NH2 2.77Å; D332-R334 PolarHBondContact OD2-NH2 2.96Å
333	T	32	Very low	31.1	Very low	46 Å²	46	130.8 Å²	130.8	28%	0.282	68%	0.683	S	S	.	*	S	Bend	trans	-79.2	41.7	-163.1	50.7	0	0	0	0	114.6	N275 L331	N275-T333 WeakPolarHBondContact ND2-CB 3.49Å; N275-T333 WeakPolarHBondContact ND2-CG2 3.42Å; N275-T333 PolarHBondContact ND2-OG1 3.27Å; L331-T333 PolarHBondContact O-N 3.45Å
334	R	29.5	Very low	30.9	Very low	197 Å²	197	130.6 Å²	130.6	74%	0.743	68%	0.678	S	S	*	*			trans	-102.6	85.5	164.4	-70.2	-179.1	-88.4	-172	-6.4	107.3	D332 P336	D332-R334 PolarHBondContact O-N 3.01Å; D332-R334 IonicContact OD2-CZ 3.75Å; D332-R334 IonicContact OD2-NE 3.47Å; D332-R334 PolarHBondContact OD2-NE 3.23Å; D332-R334 IonicContact OD2-NH2 2.77Å; D332-R334 PolarHBondContact OD2-NH2 2.96Å; R334-P336 WeakPolarHBondContact O-CD 3.17Å; R334-P336 VanDerWaalsContact O-N 3.13Å
335	I	29.6	Very low	30.7	Very low	98 Å²	98	128.7 Å²	128.7	50%	0.503	67%	0.673	S	S	.	*			trans	-58	113.9	165	-62.9	170.8	0	0	0	106.6	L296	L296-I335 HydrophobicContact CD1-CD1 4.04Å
336	P	26.4	Very low	30.5	Very low	110 Å²	110	126 Å²	126	71%	0.714	67%	0.669	S	S	*	*			trans	-69.1	144.5	170.4	-11.9	30.2	0	0	0	108.1	R334 V338	R334-P336 WeakPolarHBondContact O-CD 3.17Å; R334-P336 VanDerWaalsContact O-N 3.13Å; P336-V338 PolarHBondContact O-N 3.21Å
337	L	27.2	Very low	30.7	Very low	165 Å²	165	129 Å²	129	86%	0.864	67%	0.673	S	S	*	*			trans	-57.2	129.8	-175.2	-69.1	98.7	0	0	0	111.5	T339	L337-T339 PolarHBondContact O-N 2.94Å
338	V	29.8	Very low	30.8	Very low	111 Å²	111	132.8 Å²	132.8	67%	0.673	68%	0.679	S	S	*	*			trans	-66.2	112.4	158.9	174.8	0	0	0	0	107.2	P336 E340	P336-V338 PolarHBondContact O-N 3.21Å; V338-E340 HydrophobicContact CG1-CG 4.07Å; V338-E340 PolarHBondContact O-N 3.48Å
339	T	26.7	Very low	30.2	Very low	123 Å²	123	137.5 Å²	137.5	76%	0.755	71%	0.705	S	S	*	*			trans	-75.9	103.5	166.8	43.2	0	0	0	0	109.3	L337	L337-T339 PolarHBondContact O-N 2.94Å
340	E	29.6	Very low	30.1	Very low	169 Å²	169	134.3 Å²	134.3	79%	0.79	70%	0.702	S	S	*	*			trans	-109.6	143.7	162.4	-86.3	-176	169.8	0	0	111.3	V338	V338-E340 HydrophobicContact CG1-CG 4.07Å; V338-E340 PolarHBondContact O-N 3.48Å
341	Y	28.1	Very low	30.2	Very low	237 Å²	237	130.1 Å²	130.1	93%	0.929	70%	0.695	S	S	*	*			trans	-80.1	121.5	-168	-70.3	-104.5	0	0	0	110.9
342	S	32	Very low	29.9	Very low	112 Å²	112	134 Å²	134	78%	0.783	72%	0.715	S	S	*	*			trans	-142.8	137.5	160.7	-174.4	0	0	0	0	110.2	D344	S342-D344 PolarHBondContact O-N 2.98Å
343	S	29.5	Very low	29.9	Very low	117 Å²	117	140 Å²	140	82%	0.818	74%	0.738	S	S	*	*			trans	-97.6	90.3	-163.6	53.4	0	0	0	0	112.6
344	D	29.2	Very low	29.7	Very low	119 Å²	119	143.2 Å²	143.2	64%	0.636	75%	0.754	S	S	*	*			trans	-154.8	132.3	150.9	-139.9	-22.7	0	0	0	111.6	S342	S342-D344 PolarHBondContact O-N 2.98Å
345	P	28.8	Very low	29.5	Very low	110 Å²	110	140.6 Å²	140.6	71%	0.714	76%	0.76	S	S	*	*			trans	-94.6	-2.5	-171.5	-9	29.3	0	0	0	117.4
346	T	33.1	Very low	29.6	Very low	120 Å²	120	139.8 Å²	139.8	74%	0.736	76%	0.763	S	S	*	*	S	Bend	trans	-101.2	-4	-155.1	41.2	0	0	0	0	118.9
347	E	34.6	Very low	30	Very low	180 Å²	180	141.4 Å²	141.4	84%	0.841	77%	0.766	S	S	*	*	S	Bend	trans	-113.9	6.4	179.3	-74	-164.7	139.1	0	0	115.8	N349	E347-N349 PolarHBondContact O-N 3.31Å; E347-N349 VanDerWaalsContact O-N 3.15Å
348	K	29.1	Very low	30.2	Very low	157 Å²	157	135 Å²	135	68%	0.683	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	86.4	-173.4	-71.1	174.8	179.4	166	0	113.2
349	N	28.9	Very low	30.8	Very low	168 Å²	168	133 Å²	133	90%	0.898	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.5	1.9	162.5	-105.9	-27.4	0	0	0	118	E347	E347-N349 PolarHBondContact O-N 3.31Å; E347-N349 VanDerWaalsContact O-N 3.15Å
350	S	32.2	Very low	31.8	Very low	102 Å²	102	130.4 Å²	130.4	71%	0.713	70%	0.701	S	S	*	*	S	Bend	trans	-108	-16.9	178.8	56.7	0	0	0	0	115.7	L352	S350-L352 VanDerWaalsContact C-N 3.34Å; S350-L352 PolarHBondContact O-N 3.39Å
351	I	34.6	Very low	32.9	Very low	144 Å²	144	122.4 Å²	122.4	74%	0.738	66%	0.664	S	S	*	*	S	Bend	trans	-86.9	5.4	-160.6	-56.5	172.8	0	0	0	113.7
352	L	28.7	Very low	33.8	Very low	167 Å²	167	114.9 Å²	114.9	87%	0.874	64%	0.637	S	S	*	*	S	Bend	trans	-113.3	39	-165.4	-74.9	169.9	0	0	0	115.6	S350	S350-L352 VanDerWaalsContact C-N 3.34Å; S350-L352 PolarHBondContact O-N 3.39Å
353	K	29	Very low	34.7	Very low	187 Å²	187	113 Å²	113	81%	0.813	62%	0.618	S	S	*	*			trans	-132.8	-20.3	177	-78.8	-169	175	179.4	0	118.6	T355	K353-T355 PolarHBondContact O-N 3.06Å; K353-T355 VanDerWaalsContact O-N 3.12Å
354	D	27.6	Very low	35.9	Very low	114 Å²	114	109.3 Å²	109.3	61%	0.61	59%	0.587	S	S	*	*			trans	-91.9	79.5	-171.6	-65	-48	0	0	0	113.9
355	T	25.6	Very low	37.4	Very low	142 Å²	142	103.7 Å²	103.7	87%	0.871	56%	0.557	S	S	*	*			trans	-117.4	53	166.1	62.5	0	0	0	0	111.8	K353	K353-T355 PolarHBondContact O-N 3.06Å; K353-T355 VanDerWaalsContact O-N 3.12Å
356	S	31	Very low	39	Very low	81 Å²	81	106.1 Å²	106.1	57%	0.566	56%	0.556	S	S	*	*	S	Bend	trans	-157.3	115.2	171.5	56.2	0	0	0	0	111.5	S358	S356-S358 PolarHBondContact O-N 2.9Å; S356-S358 PolarHBondContact O-OG 2.85Å
357	D	33.8	Very low	40.3	Very low	145 Å²	145	104.8 Å²	104.8	78%	0.775	55%	0.549	S	S	*	.	S	Bend	trans	47.8	-14.3	163.4	-62.1	-16.5	0	0	0	121.8	N359 L360	D357-N359 VanDerWaalsContact C-N 3.31Å; D357-N359 PolarHBondContact O-N 3.5Å; D357-L360 PolarHBondContact O-N 3.35Å
358	S	33	Very low	41.7	Very low	30 Å²	30	97.3 Å²	97.3	21%	0.21	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-68.8	-21.6	-173.2	-62	0	0	0	0	115	S356 L360 Q383	S356-S358 PolarHBondContact O-N 2.9Å; S356-S358 PolarHBondContact O-OG 2.85Å; S358-L360 PolarHBondContact O-N 3.22Å; S358-Q383 PolarHBondContact O-NE2 3.29Å; S358-Q383 PolarHBondContact OG-OE1 3.48Å
359	N	41.1	Very low	43.5	Very low	70 Å²	70	90.5 Å²	90.5	37%	0.374	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-76.3	-2.1	-177.6	-66.9	4.9	0	0	0	114.2	D357 L361	D357-N359 VanDerWaalsContact C-N 3.31Å; D357-N359 PolarHBondContact O-N 3.5Å; N359-L361 PolarHBondContact O-N 3.34Å
360	L	47.9	Very low	45.3	Very low	67 Å²	67	84.4 Å²	84.4	35%	0.351	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-61	-27.2	-178.4	-91.2	164.1	0	0	0	114	D357 S358 N470	D357-L360 PolarHBondContact O-N 3.35Å; S358-L360 PolarHBondContact O-N 3.22Å; L360-N470 PolarHBondContact O-ND2 3.43Å
361	L	53.1	Low	46.9	Very low	2 Å²	2	85.5 Å²	85.5	1%	0.01	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-44.5	-172.4	-69.3	-168.6	0	0	0	114.2	N359 N363 Y364 L365 L379 M382 Q383 I386 V473	N359-L361 PolarHBondContact O-N 3.34Å; L361-N363 PolarHBondContact O-N 3.2Å; L361-Y364 PolarHBondContact O-N 3.11Å; L361-L365 HydrophobicContact CB-CD1 3.87Å; L361-L365 HydrophobicContact CD1-CD1 4.42Å; L361-L365 HydrophobicContact CD2-CD1 4.01Å; L361-L365 HydrophobicContact CG-CD1 4.33Å; L361-L365 VanDerWaalsContact O-CB 3.31Å; L361-L365 WeakPolarHBondContact O-CB 3.36Å; L361-L365 WeakPolarHBondContact O-CG 3.46Å; L361-L365 PolarHBondContact O-N 3.31Å; L361-L365 VanDerWaalsContact O-N 3.1Å; L361-L379 HydrophobicContact CB-CD2 4.01Å; L361-L379 HydrophobicContact CD1-CD2 4.37Å; L361-L379 VanDerWaalsContact CD1-O 3.28Å; L361-L379 WeakPolarHBondContact CD1-O 3.44Å; L361-M382 HydrophobicContact CD1-CB 3.55Å; L361-Q383 HydrophobicContact CD1-CG 3.62Å; L361-Q383 HydrophobicContact CG-CG 4.19Å; L361-I386 HydrophobicContact CD2-CD1 3.77Å; L361-V473 HydrophobicContact CD2-CG1 3.94Å; L361-V473 HydrophobicContact CD2-CG2 4.18Å
362	E	47.4	Very low	48.4	Very low	78 Å²	78	82.9 Å²	82.9	36%	0.364	46%	0.455	S	S	.	.	H	α-helix	trans	-61.1	-45.3	-163.6	-68.2	-165.3	148.1	0	0	113.9	Y364 Y374 L379	E362-Y364 PolarHBondContact O-N 3.11Å; E362-Y374 WeakPolarHBondContact CA-OH 3.04Å; E362-Y374 WeakPolarHBondContact CB-OH 3.13Å; E362-Y374 PolarHBondContact O-OH 3.1Å; E362-L379 HydrophobicContact CG-CD1 4.01Å
363	N	50.4	Low	50.4	Low	72 Å²	72	76.4 Å²	76.4	39%	0.385	42%	0.421	S	S	.	.	H	α-helix	trans	-69.7	-36.3	-174.9	-63.4	-35.2	0	0	0	113	D298 R300 L361	D298-N363 PolarHBondContact O-ND2 3.35Å; R300-N363 WeakPolarHBondContact CG-ND2 3.19Å; L361-N363 PolarHBondContact O-N 3.2Å
364	Y	54.8	Low	52.4	Low	40 Å²	40	70.9 Å²	70.9	16%	0.157	40%	0.396	C	S	.	.	H	α-helix	trans	-90.6	-25	-173.3	-69.6	-74.6	0	0	0	113.6	G299 L361 E362 P367 H368 Y446 N470	G299-Y364 WeakPolarHBondContact CA-OH 3.41Å; G299-Y364 PolarHBondContact N-OH 3.16Å; L361-Y364 PolarHBondContact O-N 3.11Å; E362-Y364 PolarHBondContact O-N 3.11Å; Y364-P367 WeakPolarHBondContact O-CD 3.44Å; Y364-H368 PolarHBondContact O-CD2 3.26Å; Y364-Y446 HydrophobicContact CD1-CE1 4.3Å; Y364-Y446 HydrophobicContact CE1-CD1 4.36Å; Y364-Y446 AromaticContact CE1-CE1 3.73Å; Y364-Y446 HydrophobicContact CE1-CE1 3.73Å; Y364-N470 WeakPolarHBondContact CD2-ND2 3.23Å; Y364-N470 WeakPolarHBondContact CE2-ND2 3.4Å
365	L	61.9	Low	54.7	Low	1 Å²	1	68.5 Å²	68.5	1%	0.005	39%	0.386	C	S	.	.	H	α-helix	trans	-84.9	-22	-175.5	-80.8	176.5	0	0	0	114.9	L361 P367 H368 I369 Y374 L379 M382 V473	L361-L365 HydrophobicContact CB-CD1 3.87Å; L361-L365 HydrophobicContact CD1-CD1 4.42Å; L361-L365 HydrophobicContact CD2-CD1 4.01Å; L361-L365 HydrophobicContact CG-CD1 4.33Å; L361-L365 VanDerWaalsContact O-CB 3.31Å; L361-L365 WeakPolarHBondContact O-CB 3.36Å; L361-L365 WeakPolarHBondContact O-CG 3.46Å; L361-L365 PolarHBondContact O-N 3.31Å; L361-L365 VanDerWaalsContact O-N 3.1Å; L365-P367 VanDerWaalsContact C-N 3.28Å; L365-P367 VanDerWaalsContact O-N 3.14Å; L365-H368 PolarHBondContact O-N 3.24Å; L365-I369 HydrophobicContact CB-CD1 3.91Å; L365-I369 HydrophobicContact CB-CG1 4.29Å; L365-I369 HydrophobicContact CD1-CD1 3.66Å; L365-I369 HydrophobicContact CD2-CD1 3.68Å; L365-I369 HydrophobicContact CD2-CG1 3.99Å; L365-I369 HydrophobicContact CG-CD1 3.96Å; L365-I369 PolarHBondContact O-N 3.11Å; L365-I369 VanDerWaalsContact O-N 3.1Å; L365-Y374 HydrophobicContact CB-CE2 4.41Å; L365-L379 HydrophobicContact CD1-CD2 3.89Å; L365-M382 HydrophobicContact CD1-CE 3.67Å; L365-M382 HydrophobicContact CD1-SD 3.81Å; L365-M382 HydrophobicContact CD2-CE 4.27Å; L365-V473 HydrophobicContact CD1-CG1 3.88Å; L365-V473 HydrophobicContact CD2-CG1 3.38Å; L365-V473 HydrophobicContact CG-CG1 3.82Å
366	K	61.1	Low	57	Low	161 Å²	161	68.3 Å²	68.3	70%	0.7	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.7	-175.8	-165.8	174	-178.4	177.8	0	115.3	Y374	K366-Y374 HydrophobicContact CB-CE2 4.44Å
367	P	60.8	Low	59.3	Low	92 Å²	92	68.2 Å²	68.2	60%	0.597	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-17.2	173.6	-14	30.5	0	0	0	114.9	Y364 L365	Y364-P367 WeakPolarHBondContact O-CD 3.44Å; L365-P367 VanDerWaalsContact C-N 3.28Å; L365-P367 VanDerWaalsContact O-N 3.14Å
368	H	65	Low	61.6	Low	23 Å²	23	61.7 Å²	61.7	11%	0.106	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-6.8	-163.8	-60.7	-74.1	0	0	0	114.6	Y364 L365 S445 C477 N478	Y364-H368 PolarHBondContact O-CD2 3.26Å; L365-H368 PolarHBondContact O-N 3.24Å; H368-S445 PolarHBondContact CE1-OG 3.43Å; H368-S445 PolarHBondContact NE2-OG 3.14Å; H368-C477 HydrophobicContact CB-CB 4.44Å; H368-N478 PolarHBondContact ND1-ND2 3.35Å
369	I	66.8	Low	63.6	Low	14 Å²	14	60.6 Å²	60.6	7%	0.072	33%	0.331	C	S	.	.	S	Bend	trans	-116.1	139.2	176.8	-64.9	-173.8	0	0	0	108.9	L365 D373 M382 C477 P496	L365-I369 HydrophobicContact CB-CD1 3.91Å; L365-I369 HydrophobicContact CB-CG1 4.29Å; L365-I369 HydrophobicContact CD1-CD1 3.66Å; L365-I369 HydrophobicContact CD2-CD1 3.68Å; L365-I369 HydrophobicContact CD2-CG1 3.99Å; L365-I369 HydrophobicContact CG-CD1 3.96Å; L365-I369 PolarHBondContact O-N 3.11Å; L365-I369 VanDerWaalsContact O-N 3.1Å; I369-D373 HydrophobicContact CG2-CB 3.67Å; I369-M382 HydrophobicContact CD1-CE 4.17Å; I369-M382 HydrophobicContact CD1-SD 3.95Å; I369-C477 HydrophobicContact CG1-CB 4.21Å; I369-P496 HydrophobicContact CD1-CB 3.83Å; I369-P496 HydrophobicContact CD1-CG 3.9Å; I369-P496 HydrophobicContact CG1-CG 4.28Å; I369-P496 HydrophobicContact CG2-CG 3.95Å
370	S	65.7	Low	65.2	Low	40 Å²	40	60.5 Å²	60.5	28%	0.28	33%	0.328	S	S	.	.			trans	-63.6	146.1	177.1	88.9	0	0	0	0	110.8	S372 D373 Y374	S370-S372 PolarHBondContact O-N 3.39Å; S370-S372 PolarHBondContact OG-OG 3.13Å; S370-D373 WeakPolarHBondContact CB-OD2 3.44Å; S370-D373 PolarHBondContact O-N 3.11Å; S370-D373 PolarHBondContact OG-N 3.31Å; S370-D373 PolarHBondContact OG-OD2 3.17Å; S370-Y374 PolarHBondContact O-N 2.71Å; S370-Y374 VanDerWaalsContact O-N 3.09Å
371	P	66.6	Low	67	Low	126 Å²	126	60.1 Å²	60.1	82%	0.818	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.8	180	-28	35.6	0	0	0	114.7
372	S	66.4	Low	68.5	Low	88 Å²	88	60 Å²	60	62%	0.615	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-24.9	174.6	45.1	0	0	0	0	114.4	S370	S370-S372 PolarHBondContact O-N 3.39Å; S370-S372 PolarHBondContact OG-OG 3.13Å
373	D	70.5	Confident	69.8	Low	31 Å²	31	57.8 Å²	57.8	17%	0.166	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-18.5	-179.6	-54.9	-47.2	0	0	0	111.6	I369 S370 T375 E378 K493 P496	I369-D373 HydrophobicContact CG2-CB 3.67Å; S370-D373 WeakPolarHBondContact CB-OD2 3.44Å; S370-D373 PolarHBondContact O-N 3.11Å; S370-D373 PolarHBondContact OG-N 3.31Å; S370-D373 PolarHBondContact OG-OD2 3.17Å; D373-T375 VanDerWaalsContact C-N 3.26Å; D373-T375 PolarHBondContact O-N 2.97Å; D373-E378 WeakPolarHBondContact O-CB 3.16Å; D373-K493 IonicContact OD1-NZ 3.42Å; D373-K493 PolarHBondContact OD1-NZ 3.14Å; D373-K493 IonicContact OD2-NZ 3.28Å; D373-K493 PolarHBondContact OD2-NZ 2.8Å; D373-P496 HydrophobicContact CB-CG 3.98Å
374	Y	70.3	Confident	71.3	Confident	72 Å²	72	58.3 Å²	58.3	28%	0.282	32%	0.318	S	S	.	.			trans	-73.7	73.2	175.6	-166.5	-91.6	0	0	0	111.6	E362 L365 K366 S370 L379	E362-Y374 WeakPolarHBondContact CA-OH 3.04Å; E362-Y374 WeakPolarHBondContact CB-OH 3.13Å; E362-Y374 PolarHBondContact O-OH 3.1Å; L365-Y374 HydrophobicContact CB-CE2 4.41Å; K366-Y374 HydrophobicContact CB-CE2 4.44Å; S370-Y374 PolarHBondContact O-N 2.71Å; S370-Y374 VanDerWaalsContact O-N 3.09Å; Y374-L379 HydrophobicContact CE1-CD1 4.33Å; Y374-L379 HydrophobicContact CE2-CD1 4.3Å; Y374-L379 HydrophobicContact CE2-CD2 4.23Å
375	T	76.1	Confident	72.9	Confident	64 Å²	64	57.4 Å²	57.4	39%	0.393	32%	0.316	S	S	.	.			trans	-115.7	150.3	176.4	71.6	0	0	0	0	111.1	D373 S377 E378 L379	D373-T375 VanDerWaalsContact C-N 3.26Å; D373-T375 PolarHBondContact O-N 2.97Å; T375-S377 PolarHBondContact O-N 3.38Å; T375-E378 PolarHBondContact O-N 2.98Å; T375-E378 WeakPolarHBondContact OG1-CB 3.44Å; T375-E378 PolarHBondContact OG1-N 3.41Å; T375-L379 WeakPolarHBondContact O-CG 3.4Å; T375-L379 PolarHBondContact O-N 2.78Å
376	H	72.6	Confident	73.8	Confident	137 Å²	137	58.2 Å²	58.2	63%	0.634	32%	0.321	S	S	*	.	H	α-helix	trans	-56	-36.6	176.4	-175.9	-53.3	0	0	0	112.4	E378 Q380	H376-E378 VanDerWaalsContact C-N 3.35Å; H376-Q380 WeakPolarHBondContact O-CB 3.48Å; H376-Q380 PolarHBondContact O-N 3.45Å
377	S	79.8	Confident	74.6	Confident	79 Å²	79	55 Å²	55	55%	0.552	31%	0.314	S	S	*	.	H	α-helix	trans	-62.8	-42.7	176	-172.9	0	0	0	0	111.6	T375 Q380 N381	T375-S377 PolarHBondContact O-N 3.38Å; S377-Q380 PolarHBondContact O-N 2.81Å; S377-N381 PolarHBondContact O-N 3.21Å; S377-N381 PolarHBondContact O-ND2 2.81Å
378	E	82.9	Confident	75.8	Confident	9 Å²	9	54.1 Å²	54.1	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-70.4	-42.4	-179.8	-166	59.5	-156.6	0	0	112.1	D373 T375 H376 Q380 N381 M382 K495 P496 S497	D373-E378 WeakPolarHBondContact O-CB 3.16Å; T375-E378 PolarHBondContact O-N 2.98Å; T375-E378 WeakPolarHBondContact OG1-CB 3.44Å; T375-E378 PolarHBondContact OG1-N 3.41Å; H376-E378 VanDerWaalsContact C-N 3.35Å; E378-Q380 VanDerWaalsContact C-N 3.31Å; E378-Q380 PolarHBondContact O-N 3.11Å; E378-N381 WeakPolarHBondContact O-CB 3.47Å; E378-N381 PolarHBondContact O-N 2.84Å; E378-N381 VanDerWaalsContact O-N 3.14Å; E378-M382 WeakPolarHBondContact O-CG 3.35Å; E378-M382 PolarHBondContact O-N 2.8Å; E378-K495 WeakPolarHBondContact OE1-CB 3.48Å; E378-P496 HydrophobicContact CG-CB 4.11Å; E378-P496 HydrophobicContact CG-CG 4.03Å; E378-P496 WeakPolarHBondContact OE1-CD 3.11Å; E378-S497 WeakPolarHBondContact OE1-CB 3.37Å; E378-S497 PolarHBondContact OE1-N 3.19Å; E378-S497 PolarHBondContact OE1-OG 3.07Å
379	L	74.3	Confident	76.9	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.037	32%	0.321	C	S	.	.	H	α-helix	trans	-59	-42.6	173	-67.5	165.6	0	0	0	111.3	L361 E362 L365 Y374 T375 M382 Q383	L361-L379 HydrophobicContact CB-CD2 4.01Å; L361-L379 HydrophobicContact CD1-CD2 4.37Å; L361-L379 VanDerWaalsContact CD1-O 3.28Å; L361-L379 WeakPolarHBondContact CD1-O 3.44Å; E362-L379 HydrophobicContact CG-CD1 4.01Å; L365-L379 HydrophobicContact CD1-CD2 3.89Å; Y374-L379 HydrophobicContact CE1-CD1 4.33Å; Y374-L379 HydrophobicContact CE2-CD1 4.3Å; Y374-L379 HydrophobicContact CE2-CD2 4.23Å; T375-L379 WeakPolarHBondContact O-CG 3.4Å; T375-L379 PolarHBondContact O-N 2.78Å; L379-M382 PolarHBondContact O-N 3.02Å; L379-Q383 WeakPolarHBondContact O-CG 3.5Å; L379-Q383 PolarHBondContact O-N 2.77Å
380	Q	76	Confident	77.5	Confident	67 Å²	67	57.1 Å²	57.1	31%	0.313	33%	0.328	S	S	.	.	H	α-helix	trans	-63.3	-41.3	174.3	-170.2	63.4	61.9	0	0	112	H376 S377 E378 M382 Q383 N384	H376-Q380 WeakPolarHBondContact O-CB 3.48Å; H376-Q380 PolarHBondContact O-N 3.45Å; S377-Q380 PolarHBondContact O-N 2.81Å; E378-Q380 VanDerWaalsContact C-N 3.31Å; E378-Q380 PolarHBondContact O-N 3.11Å; Q380-M382 VanDerWaalsContact C-N 3.34Å; Q380-M382 PolarHBondContact O-N 2.95Å; Q380-Q383 PolarHBondContact O-N 2.8Å; Q380-N384 PolarHBondContact NE2-OD1 3.07Å; Q380-N384 PolarHBondContact O-N 2.97Å; Q380-N384 PolarHBondContact O-ND2 3.48Å; Q380-N384 PolarHBondContact O-OD1 3.11Å
381	N	85	Confident	78	Confident	59 Å²	59	60.5 Å²	60.5	32%	0.316	35%	0.347	S	S	.	.	H	α-helix	trans	-61.2	-42.6	175.5	-67.5	-27.1	0	0	0	111.5	S377 E378 N384 V385	S377-N381 PolarHBondContact O-N 3.21Å; S377-N381 PolarHBondContact O-ND2 2.81Å; E378-N381 WeakPolarHBondContact O-CB 3.47Å; E378-N381 PolarHBondContact O-N 2.84Å; E378-N381 VanDerWaalsContact O-N 3.14Å; N381-N384 WeakPolarHBondContact O-CB 3.2Å; N381-N384 PolarHBondContact O-N 3.23Å; N381-V385 WeakPolarHBondContact O-CG2 3.38Å; N381-V385 PolarHBondContact O-N 3.26Å
382	M	83.8	Confident	79.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-42.4	174.6	-66.7	176.7	84.6	0	0	112.2	L361 L365 I369 E378 L379 Q380 N384 V385 I386 V473 P496 L500	L361-M382 HydrophobicContact CD1-CB 3.55Å; L365-M382 HydrophobicContact CD1-CE 3.67Å; L365-M382 HydrophobicContact CD1-SD 3.81Å; L365-M382 HydrophobicContact CD2-CE 4.27Å; I369-M382 HydrophobicContact CD1-CE 4.17Å; I369-M382 HydrophobicContact CD1-SD 3.95Å; E378-M382 WeakPolarHBondContact O-CG 3.35Å; E378-M382 PolarHBondContact O-N 2.8Å; L379-M382 PolarHBondContact O-N 3.02Å; Q380-M382 VanDerWaalsContact C-N 3.34Å; Q380-M382 PolarHBondContact O-N 2.95Å; M382-N384 VanDerWaalsContact C-N 3.33Å; M382-N384 PolarHBondContact O-N 3.35Å; M382-V385 PolarHBondContact O-N 3.41Å; M382-I386 WeakPolarHBondContact O-CG1 3.25Å; M382-I386 PolarHBondContact O-N 2.97Å; M382-V473 HydrophobicContact CE-CG1 3.79Å; M382-P496 HydrophobicContact CE-CB 3.87Å; M382-P496 HydrophobicContact CG-CB 4.23Å; M382-P496 HydrophobicContact SD-CB 3.5Å; M382-P496 WeakPolarHBondContact SD-CB 3.45Å; M382-L500 HydrophobicContact CB-CD2 4.33Å; M382-L500 HydrophobicContact CE-CD2 4.41Å
383	Q	76.2	Confident	80.1	Confident	31 Å²	31	52.6 Å²	52.6	15%	0.145	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-41	173.5	-69.9	173.8	16.4	0	0	112	S358 L361 L379 Q380 I386 T387	S358-Q383 PolarHBondContact O-NE2 3.29Å; S358-Q383 PolarHBondContact OG-OE1 3.48Å; L361-Q383 HydrophobicContact CD1-CG 3.62Å; L361-Q383 HydrophobicContact CG-CG 4.19Å; L379-Q383 WeakPolarHBondContact O-CG 3.5Å; L379-Q383 PolarHBondContact O-N 2.77Å; Q380-Q383 PolarHBondContact O-N 2.8Å; Q383-I386 PolarHBondContact O-N 2.65Å; Q383-T387 WeakPolarHBondContact O-CB 3.31Å; Q383-T387 PolarHBondContact O-N 3.18Å; Q383-T387 PolarHBondContact O-OG1 2.8Å
384	N	82	Confident	80.6	Confident	83 Å²	83	56.7 Å²	56.7	44%	0.444	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-42.7	177.9	-64	-17.5	0	0	0	110.9	Q380 N381 M382 T387 A388	Q380-N384 PolarHBondContact NE2-OD1 3.07Å; Q380-N384 PolarHBondContact O-N 2.97Å; Q380-N384 PolarHBondContact O-ND2 3.48Å; Q380-N384 PolarHBondContact O-OD1 3.11Å; N381-N384 WeakPolarHBondContact O-CB 3.2Å; N381-N384 PolarHBondContact O-N 3.23Å; M382-N384 VanDerWaalsContact C-N 3.33Å; M382-N384 PolarHBondContact O-N 3.35Å; N384-T387 PolarHBondContact O-N 3.02Å; N384-A388 WeakPolarHBondContact O-CB 3.3Å; N384-A388 PolarHBondContact O-N 3.34Å
385	V	87.5	Confident	81.3	Confident	21 Å²	21	57 Å²	57	13%	0.127	32%	0.319	C	S	.	.	H	α-helix	trans	-60.6	-49.6	173.5	172.3	0	0	0	0	111.1	N381 M382 T387 A388 Y389 L500 L501 I504	N381-V385 WeakPolarHBondContact O-CG2 3.38Å; N381-V385 PolarHBondContact O-N 3.26Å; M382-V385 PolarHBondContact O-N 3.41Å; V385-T387 VanDerWaalsContact C-N 3.33Å; V385-T387 PolarHBondContact O-N 2.7Å; V385-A388 PolarHBondContact O-N 2.7Å; V385-Y389 HydrophobicContact CG1-CD2 4.3Å; V385-Y389 VanDerWaalsContact O-CD2 3.3Å; V385-Y389 WeakPolarHBondContact O-CD2 3.45Å; V385-Y389 PolarHBondContact O-N 2.9Å; V385-L500 HydrophobicContact CB-CD2 4.39Å; V385-L500 HydrophobicContact CG1-CB 4.43Å; V385-L500 HydrophobicContact CG1-CD2 4.11Å; V385-L500 HydrophobicContact CG1-CG 3.92Å; V385-L501 HydrophobicContact CG1-CB 4.27Å; V385-L501 HydrophobicContact CG1-CD1 4.41Å; V385-L501 HydrophobicContact CG2-CB 4.41Å; V385-I504 HydrophobicContact CG1-CD1 4.1Å
386	I	81	Confident	82	Confident	19 Å²	19	54.5 Å²	54.5	10%	0.097	30%	0.303	C	S	.	.	H	α-helix	trans	-56.8	-49.4	177.6	-67.3	163.9	0	0	0	110.3	L361 M382 Q383 A388 Y389 L390 V469 V473 L500	L361-I386 HydrophobicContact CD2-CD1 3.77Å; M382-I386 WeakPolarHBondContact O-CG1 3.25Å; M382-I386 PolarHBondContact O-N 2.97Å; Q383-I386 PolarHBondContact O-N 2.65Å; I386-A388 VanDerWaalsContact C-N 3.32Å; I386-A388 PolarHBondContact O-N 3.1Å; I386-Y389 CarbonylContact O-C 3.48Å; I386-Y389 PolarHBondContact O-N 3.15Å; I386-L390 HydrophobicContact CG2-CD2 4Å; I386-L390 HydrophobicContact CG2-CG 4.4Å; I386-L390 WeakPolarHBondContact O-CG 3.48Å; I386-L390 PolarHBondContact O-N 2.86Å; I386-V469 HydrophobicContact CD1-CG1 4.07Å; I386-V469 HydrophobicContact CG1-CG1 4.19Å; I386-V469 HydrophobicContact CG2-CG1 3.77Å; I386-V473 HydrophobicContact CD1-CG2 3.69Å; I386-V473 HydrophobicContact CG1-CG2 4.27Å; I386-L500 HydrophobicContact CD1-CD2 4.27Å; I386-L500 HydrophobicContact CG1-CD2 3.85Å
387	T	77.2	Confident	82.6	Confident	92 Å²	92	48.8 Å²	48.8	56%	0.564	28%	0.276	S	S	*	.	H	α-helix	trans	-57.4	-43.7	-177.6	-58.5	0	0	0	0	111.7	Q383 N384 V385 Y389 L390	Q383-T387 WeakPolarHBondContact O-CB 3.31Å; Q383-T387 PolarHBondContact O-N 3.18Å; Q383-T387 PolarHBondContact O-OG1 2.8Å; N384-T387 PolarHBondContact O-N 3.02Å; V385-T387 VanDerWaalsContact C-N 3.33Å; V385-T387 PolarHBondContact O-N 2.7Å; T387-Y389 VanDerWaalsContact C-N 3.27Å; T387-Y389 PolarHBondContact O-N 2.9Å; T387-L390 PolarHBondContact O-N 2.99Å
388	A	85.9	Confident	82.8	Confident	74 Å²	74	52.4 Å²	52.4	61%	0.612	28%	0.277	S	S	*	.	H	α-helix	trans	-61.7	-31.5	177.1	0	0	0	0	0	113.5	N384 V385 I386	N384-A388 WeakPolarHBondContact O-CB 3.3Å; N384-A388 PolarHBondContact O-N 3.34Å; V385-A388 PolarHBondContact O-N 2.7Å; I386-A388 VanDerWaalsContact C-N 3.32Å; I386-A388 PolarHBondContact O-N 3.1Å
389	Y	88.9	Confident	83.1	Confident	61 Å²	61	55.3 Å²	55.3	24%	0.239	29%	0.29	C	S	.	.	H	α-helix	trans	-107.7	6.3	-176.7	-65.7	-74.5	0	0	0	115.1	V385 I386 T387 T391 P392 L393 L501 I504 T505 L509	V385-Y389 HydrophobicContact CG1-CD2 4.3Å; V385-Y389 VanDerWaalsContact O-CD2 3.3Å; V385-Y389 WeakPolarHBondContact O-CD2 3.45Å; V385-Y389 PolarHBondContact O-N 2.9Å; I386-Y389 CarbonylContact O-C 3.48Å; I386-Y389 PolarHBondContact O-N 3.15Å; T387-Y389 VanDerWaalsContact C-N 3.27Å; T387-Y389 PolarHBondContact O-N 2.9Å; Y389-T391 VanDerWaalsContact C-N 3.28Å; Y389-T391 PolarHBondContact O-N 2.87Å; Y389-P392 VanDerWaalsContact O-CD 3.27Å; Y389-P392 WeakPolarHBondContact O-CD 3.24Å; Y389-L393 WeakPolarHBondContact O-CB 3.29Å; Y389-L393 VanDerWaalsContact O-CG 3.27Å; Y389-L393 WeakPolarHBondContact O-CG 3.36Å; Y389-L393 PolarHBondContact O-N 3.24Å; Y389-L501 HydrophobicContact CE2-CD1 3.6Å; Y389-I504 HydrophobicContact CD1-CG2 3.88Å; Y389-I504 HydrophobicContact CD2-CD1 4.45Å; Y389-I504 HydrophobicContact CD2-CG2 3.88Å; Y389-I504 HydrophobicContact CE1-CG2 4.36Å; Y389-I504 HydrophobicContact CE2-CG2 4.38Å; Y389-I504 HydrophobicContact CG-CG2 3.62Å; Y389-T505 HydrophobicContact CE1-CG2 4.35Å; Y389-T505 HydrophobicContact CE2-CG2 4.41Å; Y389-T505 WeakPolarHBondContact OH-CG2 3.48Å; Y389-L509 HydrophobicContact CD1-CD1 3.79Å; Y389-L509 HydrophobicContact CE1-CD1 3.66Å
390	L	79.8	Confident	83.9	Confident	40 Å²	40	55 Å²	55	21%	0.209	29%	0.288	C	S	.	.	H	α-helix	trans	-51.5	-42.1	179.8	-83.1	175.5	0	0	0	113.7	I386 T387 R394 F465	I386-L390 HydrophobicContact CG2-CD2 4Å; I386-L390 HydrophobicContact CG2-CG 4.4Å; I386-L390 WeakPolarHBondContact O-CG 3.48Å; I386-L390 PolarHBondContact O-N 2.86Å; T387-L390 PolarHBondContact O-N 2.99Å; L390-R394 WeakPolarHBondContact O-CB 3.4Å; L390-R394 VanDerWaalsContact O-CG 3.27Å; L390-R394 WeakPolarHBondContact O-CG 3.29Å; L390-R394 PolarHBondContact O-N 2.88Å; L390-F465 HydrophobicContact CD2-CE1 3.95Å; L390-F465 HydrophobicContact CD2-CZ 4.03Å
391	T	76.4	Confident	84.4	Confident	111 Å²	111	51.9 Å²	51.9	68%	0.681	27%	0.274	S	S	*	.	H	α-helix	trans	-69	-51.2	-176.5	-64.4	0	0	0	0	112.3	Y389 L393 R394 S395	Y389-T391 VanDerWaalsContact C-N 3.28Å; Y389-T391 PolarHBondContact O-N 2.87Å; T391-L393 PolarHBondContact O-N 3.4Å; T391-R394 PolarHBondContact O-N 3.25Å; T391-S395 PolarHBondContact O-N 3.46Å
392	P	89.8	Confident	84.4	Confident	44 Å²	44	54.5 Å²	54.5	29%	0.286	28%	0.283	S	S	.	.	H	α-helix	trans	-53.8	-47.4	168.4	-28	33.2	0	0	0	114	Y389 R394 S395 M396 L509	Y389-P392 VanDerWaalsContact O-CD 3.27Å; Y389-P392 WeakPolarHBondContact O-CD 3.24Å; P392-R394 PolarHBondContact O-N 2.95Å; P392-S395 WeakPolarHBondContact O-CA 3.33Å; P392-S395 VanDerWaalsContact O-CB 3.3Å; P392-S395 WeakPolarHBondContact O-CB 3.26Å; P392-S395 PolarHBondContact O-N 3.07Å; P392-M396 HydrophobicContact CB-CE 4.22Å; P392-M396 WeakPolarHBondContact O-CG 3.1Å; P392-M396 PolarHBondContact O-N 3.05Å; P392-L509 HydrophobicContact CB-CD2 3.88Å; P392-L509 HydrophobicContact CG-CD2 4.46Å
393	L	86.5	Confident	84.6	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-42.5	-178.9	-69.6	173.2	0	0	0	112.1	Y389 T391 S395 M396 Y397 F465 F468 L472 I504	Y389-L393 WeakPolarHBondContact O-CB 3.29Å; Y389-L393 VanDerWaalsContact O-CG 3.27Å; Y389-L393 WeakPolarHBondContact O-CG 3.36Å; Y389-L393 PolarHBondContact O-N 3.24Å; T391-L393 PolarHBondContact O-N 3.4Å; L393-S395 VanDerWaalsContact C-N 3.31Å; L393-S395 PolarHBondContact O-N 3.3Å; L393-M396 HydrophobicContact CD2-SD 4.41Å; L393-M396 PolarHBondContact O-N 3.31Å; L393-Y397 WeakPolarHBondContact O-CB 3.4Å; L393-Y397 PolarHBondContact O-N 3Å; L393-F465 HydrophobicContact CB-CE2 4.23Å; L393-F465 HydrophobicContact CB-CZ 4.33Å; L393-F468 HydrophobicContact CB-CE1 4.37Å; L393-F468 HydrophobicContact CD2-CE1 4.27Å; L393-L472 HydrophobicContact CD2-CD1 3.63Å; L393-I504 HydrophobicContact CD1-CD1 4.44Å
394	R	81	Confident	84.8	Confident	118 Å²	118	54.5 Å²	54.5	45%	0.445	29%	0.287	S	S	.	.	H	α-helix	trans	-62.9	-35.9	172.9	-76.5	176.6	174.6	144.4	-1.8	112.5	L390 T391 P392 R398 F465	L390-R394 WeakPolarHBondContact O-CB 3.4Å; L390-R394 VanDerWaalsContact O-CG 3.27Å; L390-R394 WeakPolarHBondContact O-CG 3.29Å; L390-R394 PolarHBondContact O-N 2.88Å; T391-R394 PolarHBondContact O-N 3.25Å; P392-R394 PolarHBondContact O-N 2.95Å; R394-R398 WeakPolarHBondContact O-CB 3.38Å; R394-R398 WeakPolarHBondContact O-CG 3.31Å; R394-R398 PolarHBondContact O-N 3Å; R394-R398 VanDerWaalsContact O-N 3.08Å; R394-F465 HydrophobicContact CB-CE2 4.24Å; R394-F465 HydrophobicContact CB-CZ 4.48Å; R394-F465 HydrophobicContact CG-CD1 4.39Å; R394-F465 HydrophobicContact CG-CD2 4.05Å; R394-F465 HydrophobicContact CG-CE1 3.87Å; R394-F465 HydrophobicContact CG-CE2 3.48Å; R394-F465 VanDerWaalsContact CG-CE2 3.48Å; R394-F465 HydrophobicContact CG-CG 4.48Å; R394-F465 HydrophobicContact CG-CZ 3.38Å
395	S	84	Confident	84.3	Confident	78 Å²	78	53.3 Å²	53.3	55%	0.545	28%	0.28	S	S	.	.	H	α-helix	trans	-65.6	-45.8	176.4	-164.8	0	0	0	0	111.6	T391 P392 L393 R398 F399	T391-S395 PolarHBondContact O-N 3.46Å; P392-S395 WeakPolarHBondContact O-CA 3.33Å; P392-S395 VanDerWaalsContact O-CB 3.3Å; P392-S395 WeakPolarHBondContact O-CB 3.26Å; P392-S395 PolarHBondContact O-N 3.07Å; L393-S395 VanDerWaalsContact C-N 3.31Å; L393-S395 PolarHBondContact O-N 3.3Å; S395-R398 PolarHBondContact O-N 3.12Å; S395-F399 PolarHBondContact O-N 3.26Å
396	M	90.8	Very high	82.8	Confident	11 Å²	11	59.3 Å²	59.3	5%	0.054	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-50.4	176.9	-64.1	164.6	-169.1	0	0	111.5	P392 L393 R398 F399 Y400 I508 L509 S512	P392-M396 HydrophobicContact CB-CE 4.22Å; P392-M396 WeakPolarHBondContact O-CG 3.1Å; P392-M396 PolarHBondContact O-N 3.05Å; L393-M396 HydrophobicContact CD2-SD 4.41Å; L393-M396 PolarHBondContact O-N 3.31Å; M396-R398 PolarHBondContact O-N 3.19Å; M396-F399 WeakPolarHBondContact O-CA 3.37Å; M396-F399 WeakPolarHBondContact O-CB 3.45Å; M396-F399 PolarHBondContact O-N 3.34Å; M396-Y400 WeakPolarHBondContact O-CD2 3.1Å; M396-Y400 PolarHBondContact O-N 2.76Å; M396-I508 HydrophobicContact CE-CG2 3.95Å; M396-I508 HydrophobicContact SD-CG2 3.4Å; M396-I508 WeakPolarHBondContact SD-CG2 3.26Å; M396-L509 HydrophobicContact CE-CD2 3.45Å; M396-L509 VanDerWaalsContact CE-CD2 3.45Å; M396-L509 HydrophobicContact CE-CG 4.05Å; M396-S512 VanDerWaalsContact CE-OG 3.29Å; M396-S512 WeakPolarHBondContact CE-OG 3.48Å
397	Y	85.7	Confident	81.4	Confident	17 Å²	17	66.5 Å²	66.5	7%	0.067	34%	0.337	C	S	.	.	H	α-helix	trans	-53.4	-42.8	176.3	176.6	-89.8	0	0	0	111.7	L393 G401 I413 L415 I463 F465 F468	L393-Y397 WeakPolarHBondContact O-CB 3.4Å; L393-Y397 PolarHBondContact O-N 3Å; Y397-G401 PolarHBondContact O-N 2.83Å; Y397-I413 VanDerWaalsContact CE1-O 3.24Å; Y397-I413 WeakPolarHBondContact CE1-O 3.45Å; Y397-L415 HydrophobicContact CD2-CB 3.97Å; Y397-L415 HydrophobicContact CD2-CD2 4Å; Y397-L415 HydrophobicContact CE2-CB 3.48Å; Y397-L415 VanDerWaalsContact CE2-CB 3.48Å; Y397-L415 HydrophobicContact CE2-CD2 4.2Å; Y397-L415 HydrophobicContact CE2-CG 4.49Å; Y397-L415 PolarHBondContact OH-N 3.14Å; Y397-I463 WeakPolarHBondContact CE2-O 3.4Å; Y397-I463 PolarHBondContact OH-O 3.04Å; Y397-F465 HydrophobicContact CD1-CB 4.39Å; Y397-F465 HydrophobicContact CD1-CD2 4.13Å; Y397-F465 HydrophobicContact CD2-CD2 4.15Å; Y397-F465 HydrophobicContact CE1-CB 4.15Å; Y397-F465 HydrophobicContact CE2-CB 4.28Å; Y397-F465 AromaticContact CG-CD2 3.84Å; Y397-F465 HydrophobicContact CG-CD2 3.84Å; Y397-F465 PolarHBondContact OH-N 2.88Å; Y397-F468 HydrophobicContact CD2-CB 3.79Å; Y397-F468 AromaticContact CD2-CD1 3.99Å; Y397-F468 HydrophobicContact CD2-CD1 3.99Å; Y397-F468 HydrophobicContact CD2-CD2 4.26Å; Y397-F468 AromaticContact CD2-CG 3.76Å; Y397-F468 HydrophobicContact CD2-CG 3.76Å; Y397-F468 HydrophobicContact CE2-CB 4.03Å; Y397-F468 HydrophobicContact CE2-CG 4.49Å
398	R	84	Confident	80.2	Confident	155 Å²	155	64 Å²	64	59%	0.585	32%	0.32	S	S	*	.	H	α-helix	trans	-70.5	-25.7	174.7	-74.7	177.9	171.2	-177.7	-2.3	114.7	R394 S395 M396 K402 I413	R394-R398 WeakPolarHBondContact O-CB 3.38Å; R394-R398 WeakPolarHBondContact O-CG 3.31Å; R394-R398 PolarHBondContact O-N 3Å; R394-R398 VanDerWaalsContact O-N 3.08Å; S395-R398 PolarHBondContact O-N 3.12Å; M396-R398 PolarHBondContact O-N 3.19Å; R398-K402 WeakPolarHBondContact O-CD 3.47Å; R398-K402 VanDerWaalsContact O-CG 3.32Å; R398-K402 WeakPolarHBondContact O-CG 3.49Å; R398-I413 HydrophobicContact CB-CD1 3.85Å; R398-I413 HydrophobicContact CG-CD1 3.79Å
399	F	89.6	Confident	78.2	Confident	70 Å²	70	65 Å²	65	31%	0.307	32%	0.32	S	S	.	.	H	α-helix	trans	-72.8	-53.9	174.1	176.1	-88.9	0	0	0	110.1	S395 M396 G401 K402 L403 C513 L515	S395-F399 PolarHBondContact O-N 3.26Å; M396-F399 WeakPolarHBondContact O-CA 3.37Å; M396-F399 WeakPolarHBondContact O-CB 3.45Å; M396-F399 PolarHBondContact O-N 3.34Å; F399-G401 PolarHBondContact O-N 3.11Å; F399-K402 PolarHBondContact O-N 3.36Å; F399-L403 HydrophobicContact CE1-CD2 4.41Å; F399-C513 HydrophobicContact CD1-CB 4.05Å; F399-C513 HydrophobicContact CD2-CB 4.32Å; F399-C513 HydrophobicContact CE1-CB 3.99Å; F399-C513 HydrophobicContact CE2-CB 4.25Å; F399-C513 HydrophobicContact CG-CB 4.22Å; F399-C513 HydrophobicContact CZ-CB 4.09Å; F399-L515 HydrophobicContact CE1-CD2 3.91Å; F399-L515 HydrophobicContact CE1-CG 4.09Å; F399-L515 HydrophobicContact CZ-CD1 4.18Å; F399-L515 HydrophobicContact CZ-CD2 4.33Å; F399-L515 HydrophobicContact CZ-CG 4.03Å
400	Y	91.5	Very high	76.2	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67.4	-37.4	-177.1	-75.5	-82.3	0	0	0	113	M396 K402 L403 Q422 F423 D426 C513 L515	M396-Y400 WeakPolarHBondContact O-CD2 3.1Å; M396-Y400 PolarHBondContact O-N 2.76Å; Y400-K402 PolarHBondContact O-N 3.39Å; Y400-K402 VanDerWaalsContact O-N 3.13Å; Y400-L403 HydrophobicContact CD1-CD1 3.54Å; Y400-L403 HydrophobicContact CE1-CD1 4.13Å; Y400-L403 HydrophobicContact CG-CD1 4.33Å; Y400-L403 WeakPolarHBondContact O-CB 3.44Å; Y400-L403 VanDerWaalsContact O-CG 3.28Å; Y400-L403 WeakPolarHBondContact O-CG 3.17Å; Y400-L403 PolarHBondContact O-N 2.94Å; Y400-L403 VanDerWaalsContact O-N 3.12Å; Y400-Q422 HydrophobicContact CD1-CG 4.4Å; Y400-Q422 HydrophobicContact CE1-CG 4.18Å; Y400-F423 HydrophobicContact CD1-CB 3.75Å; Y400-F423 HydrophobicContact CD2-CB 3.94Å; Y400-F423 AromaticContact CD2-CD2 3.75Å; Y400-F423 HydrophobicContact CD2-CD2 3.75Å; Y400-F423 HydrophobicContact CD2-CG 4.31Å; Y400-F423 HydrophobicContact CE1-CB 3.95Å; Y400-F423 HydrophobicContact CE2-CB 4.15Å; Y400-F423 AromaticContact CE2-CD2 3.64Å; Y400-F423 HydrophobicContact CE2-CD2 3.64Å; Y400-F423 HydrophobicContact CE2-CG 4.39Å; Y400-F423 HydrophobicContact CG-CB 3.77Å; Y400-F423 HydrophobicContact CG-CD2 4.45Å; Y400-D426 HydrophobicContact CE1-CB 4.45Å; Y400-D426 WeakPolarHBondContact CE1-OD2 3.22Å; Y400-D426 VanDerWaalsContact CZ-OD2 3.3Å; Y400-D426 WeakPolarHBondContact OH-CB 3.49Å; Y400-D426 VanDerWaalsContact OH-CG 3.32Å; Y400-D426 PolarHBondContact OH-OD2 3.16Å; Y400-C513 WeakPolarHBondContact OH-CA 3.39Å; Y400-C513 PolarHBondContact OH-N 3.17Å; Y400-L515 HydrophobicContact CE1-CD2 4.33Å
401	G	85.6	Confident	74.6	Confident	2 Å²	2	66 Å²	66	2%	0.021	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-13	177.2	0	0	0	0	0	115	Y397 F399 I413 Q419	Y397-G401 PolarHBondContact O-N 2.83Å; F399-G401 PolarHBondContact O-N 3.11Å; G401-I413 VanDerWaalsContact CA-CG2 3.49Å; G401-Q419 PolarHBondContact O-NE2 3.39Å; G401-Q419 VanDerWaalsContact O-NE2 3.14Å
402	K	85.3	Confident	73.5	Confident	114 Å²	114	62.2 Å²	62.2	50%	0.496	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-13.7	174.6	-74.5	177.9	-179.7	-167.2	0	114	R398 F399 Y400 G404 M405 L408 I413	R398-K402 WeakPolarHBondContact O-CD 3.47Å; R398-K402 VanDerWaalsContact O-CG 3.32Å; R398-K402 WeakPolarHBondContact O-CG 3.49Å; F399-K402 PolarHBondContact O-N 3.36Å; Y400-K402 PolarHBondContact O-N 3.39Å; Y400-K402 VanDerWaalsContact O-N 3.13Å; K402-G404 PolarHBondContact O-N 3.07Å; K402-M405 PolarHBondContact O-N 3.26Å; K402-L408 HydrophobicContact CG-CD1 4.18Å; K402-I413 HydrophobicContact CD-CD1 4.34Å; K402-I413 HydrophobicContact CG-CD1 4.14Å; K402-I413 HydrophobicContact CG-CG1 4.22Å
403	L	88.4	Confident	72.3	Confident	19 Å²	19	61.2 Å²	61.2	10%	0.099	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	132.3	-173.1	-59.9	176.9	0	0	0	110.6	F399 Y400 M405 Q419 Q422 L515 Y520	F399-L403 HydrophobicContact CE1-CD2 4.41Å; Y400-L403 HydrophobicContact CD1-CD1 3.54Å; Y400-L403 HydrophobicContact CE1-CD1 4.13Å; Y400-L403 HydrophobicContact CG-CD1 4.33Å; Y400-L403 WeakPolarHBondContact O-CB 3.44Å; Y400-L403 VanDerWaalsContact O-CG 3.28Å; Y400-L403 WeakPolarHBondContact O-CG 3.17Å; Y400-L403 PolarHBondContact O-N 2.94Å; Y400-L403 VanDerWaalsContact O-N 3.12Å; L403-M405 VanDerWaalsContact C-N 3.34Å; L403-M405 PolarHBondContact O-N 3.06Å; L403-Q419 PolarHBondContact O-NE2 3.43Å; L403-Q422 HydrophobicContact CD1-CG 4.19Å; L403-L515 HydrophobicContact CD1-CD2 3.64Å; L403-L515 HydrophobicContact CD2-CD1 3.94Å; L403-L515 HydrophobicContact CD2-CD2 3.81Å; L403-L515 HydrophobicContact CG-CD2 4.4Å; L403-Y520 HydrophobicContact CB-CD1 3.52Å; L403-Y520 HydrophobicContact CB-CE1 3.59Å; L403-Y520 HydrophobicContact CB-CG 4.04Å; L403-Y520 HydrophobicContact CD1-CD2 4.27Å; L403-Y520 HydrophobicContact CD1-CG 4.21Å; L403-Y520 HydrophobicContact CG-CD1 4.48Å
404	G	80.3	Confident	71.6	Confident	13 Å²	13	62.8 Å²	62.8	13%	0.134	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-8.5	-177.1	0	0	0	0	0	116.5	K402 K527	K402-G404 PolarHBondContact O-N 3.07Å; G404-K527 VanDerWaalsContact O-CG 3.3Å; G404-K527 WeakPolarHBondContact O-CG 3.36Å
405	M	71.8	Confident	71.7	Confident	58 Å²	58	57.1 Å²	57.1	29%	0.286	29%	0.285	S	S	.	.			trans	-90.5	135.3	-174.1	-58.2	-64.8	-72.5	0	0	112.8	K402 L403 L408	K402-M405 PolarHBondContact O-N 3.26Å; L403-M405 VanDerWaalsContact C-N 3.34Å; L403-M405 PolarHBondContact O-N 3.06Å; M405-L408 HydrophobicContact CE-CD2 4.08Å; M405-L408 HydrophobicContact CG-CD2 4.34Å
406	K	55.6	Low	71.9	Confident	146 Å²	146	56.7 Å²	56.7	64%	0.635	27%	0.272	S	S	*	.	S	Bend	trans	-77.6	-52.6	170.5	-113.8	168.1	-172.6	164.2	0	111.7	E524 K527	K406-E524 VanDerWaalsContact CE-OE1 3.29Å; K406-E524 WeakPolarHBondContact CE-OE1 3.35Å; K406-E524 WeakPolarHBondContact CE-OE2 3.24Å; K406-E524 IonicContact NZ-OE1 2.81Å; K406-E524 IonicContact NZ-OE2 2.69Å; K406-E524 PolarHBondContact NZ-OE2 2.99Å; K406-K527 HydrophobicContact CD-CD 3.89Å; K406-K527 HydrophobicContact CG-CD 3.73Å
407	Q	52.1	Low	71.9	Confident	171 Å²	171	56.6 Å²	56.6	80%	0.799	27%	0.271	S	S	*	.			trans	-139.6	138.4	178.1	-77.1	168	-20	0	0	107.6
408	L	50.4	Low	72.2	Confident	40 Å²	40	55.9 Å²	55.9	21%	0.209	27%	0.268	C	S	.	.			trans	-89.3	126.6	165.2	-69.1	162.6	0	0	0	106.2	K402 M405 D410 I413	K402-L408 HydrophobicContact CG-CD1 4.18Å; M405-L408 HydrophobicContact CE-CD2 4.08Å; M405-L408 HydrophobicContact CG-CD2 4.34Å; L408-D410 PolarHBondContact O-N 3.18Å; L408-D410 VanDerWaalsContact O-N 3.13Å; L408-I413 HydrophobicContact CD1-CD1 4.33Å; L408-I413 HydrophobicContact CD1-CG1 3.52Å
409	P	45.4	Very low	72.7	Confident	94 Å²	94	48.6 Å²	48.6	61%	0.61	24%	0.241	S	C	*	.	S	Bend	trans	-55.8	-32	-176.9	-27.1	35.2	0	0	0	113.8	L243	L243-P409 HydrophobicContact CD2-CB 3.33Å
410	D	45.4	Very low	72.9	Confident	28 Å²	28	45.2 Å²	45.2	15%	0.15	23%	0.226	C	C	.	.	S	Bend	trans	-138.2	7.8	-166.5	66.1	-14.4	0	0	0	115.1	L243 R244 L408 T412	L243-D410 HydrophobicContact CD2-CB 4.08Å; R244-D410 PolarHBondContact N-OD2 2.89Å; L408-D410 PolarHBondContact O-N 3.18Å; L408-D410 VanDerWaalsContact O-N 3.13Å; D410-T412 VanDerWaalsContact CG-CB 3.45Å; D410-T412 PolarHBondContact O-N 2.73Å; D410-T412 WeakPolarHBondContact OD1-CA 3.37Å; D410-T412 WeakPolarHBondContact OD1-CB 3.41Å; D410-T412 PolarHBondContact OD1-N 3.34Å; D410-T412 PolarHBondContact OD1-OG1 3.45Å; D410-T412 WeakPolarHBondContact OD2-CB 3.49Å; D410-T412 PolarHBondContact OD2-OG1 2.93Å
411	N	47.4	Very low	73	Confident	93 Å²	93	45.4 Å²	45.4	50%	0.497	23%	0.227	S	C	.	.	S	Bend	trans	63.3	5	-165.1	-80.2	-27.3	0	0	0	115.7	R246 I413	R246-N411 PolarHBondContact NH2-ND2 3.38Å; N411-I413 PolarHBondContact O-N 3.28Å
412	T	52.5	Low	73.4	Confident	32 Å²	32	45.3 Å²	45.3	20%	0.196	23%	0.226	C	C	.	.			trans	-78.3	113.4	176.3	-51.8	0	0	0	0	109.2	S251 D410 I414	S251-T412 VanDerWaalsContact O-CG2 3.27Å; S251-T412 WeakPolarHBondContact O-CG2 3.48Å; D410-T412 VanDerWaalsContact CG-CB 3.45Å; D410-T412 PolarHBondContact O-N 2.73Å; D410-T412 WeakPolarHBondContact OD1-CA 3.37Å; D410-T412 WeakPolarHBondContact OD1-CB 3.41Å; D410-T412 PolarHBondContact OD1-N 3.34Å; D410-T412 PolarHBondContact OD1-OG1 3.45Å; D410-T412 WeakPolarHBondContact OD2-CB 3.49Å; D410-T412 PolarHBondContact OD2-OG1 2.93Å; T412-I414 HydrophobicContact CG2-CG1 4.3Å
413	I	65.9	Low	73.9	Confident	24 Å²	24	39.9 Å²	39.9	12%	0.123	20%	0.203	C	C	.	.			trans	-97.2	110.6	-178.3	-60.1	152.4	0	0	0	107.6	Y397 R398 G401 K402 L408 N411	Y397-I413 VanDerWaalsContact CE1-O 3.24Å; Y397-I413 WeakPolarHBondContact CE1-O 3.45Å; R398-I413 HydrophobicContact CB-CD1 3.85Å; R398-I413 HydrophobicContact CG-CD1 3.79Å; G401-I413 VanDerWaalsContact CA-CG2 3.49Å; K402-I413 HydrophobicContact CD-CD1 4.34Å; K402-I413 HydrophobicContact CG-CD1 4.14Å; K402-I413 HydrophobicContact CG-CG1 4.22Å; L408-I413 HydrophobicContact CD1-CD1 4.33Å; L408-I413 HydrophobicContact CD1-CG1 3.52Å; N411-I413 PolarHBondContact O-N 3.28Å
414	I	71.2	Confident	74.1	Confident	35 Å²	35	39 Å²	39	18%	0.179	20%	0.198	C	C	.	.			trans	-110.1	130.3	171.5	-54	161.9	0	0	0	107.2	L252 T412 L462	L252-I414 HydrophobicContact CD2-CD1 3.55Å; L252-I414 HydrophobicContact CD2-CG1 3.99Å; L252-I414 HydrophobicContact CD2-CG2 4.28Å; T412-I414 HydrophobicContact CG2-CG1 4.3Å; I414-L462 HydrophobicContact CG2-CB 3.9Å; I414-L462 HydrophobicContact CG2-CD1 4.39Å; I414-L462 HydrophobicContact CG2-CD2 3.89Å; I414-L462 HydrophobicContact CG2-CG 4.27Å
415	L	82.3	Confident	74.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128.3	180	-172	69.3	0	0	0	109.4	Y397 Q419 F420 I463 F468	Y397-L415 HydrophobicContact CD2-CB 3.97Å; Y397-L415 HydrophobicContact CD2-CD2 4Å; Y397-L415 HydrophobicContact CE2-CB 3.48Å; Y397-L415 VanDerWaalsContact CE2-CB 3.48Å; Y397-L415 HydrophobicContact CE2-CD2 4.2Å; Y397-L415 HydrophobicContact CE2-CG 4.49Å; Y397-L415 PolarHBondContact OH-N 3.14Å; L415-Q419 HydrophobicContact CD1-CB 3.5Å; L415-Q419 VanDerWaalsContact CD1-CB 3.5Å; L415-Q419 HydrophobicContact CG-CB 4.34Å; L415-F420 HydrophobicContact CD2-CB 3.78Å; L415-F420 HydrophobicContact CD2-CD2 3.82Å; L415-F420 HydrophobicContact CD2-CG 4.23Å; L415-F420 HydrophobicContact CG-CB 4.16Å; L415-I463 HydrophobicContact CB-CB 4.4Å; L415-I463 PolarHBondContact O-N 3.24Å; L415-F468 HydrophobicContact CD2-CD2 3.95Å; L415-F468 HydrophobicContact CD2-CE2 4.45Å
416	R	88.8	Confident	75.6	Confident	69 Å²	69	36.8 Å²	36.8	26%	0.26	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	155.7	169.4	-55	-176.2	-157.1	-125.4	-1.6	110.4	V418 Q419 F420 E460 K461 L462	R416-V418 VanDerWaalsContact C-N 3.29Å; R416-V418 HydrophobicContact CB-CG1 4.11Å; R416-V418 PolarHBondContact O-N 2.95Å; R416-Q419 HydrophobicContact CB-CG 4.39Å; R416-Q419 WeakPolarHBondContact O-CB 3.45Å; R416-Q419 PolarHBondContact O-N 2.85Å; R416-F420 PolarHBondContact O-N 3.38Å; R416-E460 IonicContact NH1-OE1 3.88Å; R416-E460 PolarHBondContact NH1-OE1 3.08Å; R416-K461 CarbonylContact C-O 3.59Å; R416-K461 WeakPolarHBondContact CA-O 3.43Å; R416-L462 HydrophobicContact CG-CD2 4.34Å
417	Y	91	Very high	77.3	Confident	8 Å²	8	29.9 Å²	29.9	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-54.9	-41.9	178.6	-158.9	-88.2	0	0	0	112.9	Q419 F420 C421 D439 I442 Q457 N458 P459 K461 I463	Y417-Q419 VanDerWaalsContact C-N 3.31Å; Y417-Q419 PolarHBondContact O-N 2.95Å; Y417-F420 CarbonylContact O-C 3.32Å; Y417-F420 WeakPolarHBondContact O-CA 3.38Å; Y417-F420 WeakPolarHBondContact O-CB 3.4Å; Y417-F420 PolarHBondContact O-N 3.35Å; Y417-C421 VanDerWaalsContact CD1-SG 3.54Å; Y417-C421 WeakPolarHBondContact CE1-SG 3.16Å; Y417-C421 PolarHBondContact O-N 2.98Å; Y417-C421 PolarHBondContact O-SG 2.93Å; Y417-C421 VanDerWaalsContact O-SG 3.36Å; Y417-D439 WeakPolarHBondContact CE1-OD1 3.49Å; Y417-D439 PolarHBondContact OH-OD1 2.75Å; Y417-I442 HydrophobicContact CE2-CG2 4.17Å; Y417-I442 WeakPolarHBondContact OH-CD1 3.49Å; Y417-Q457 HydrophobicContact CD1-CB 3.87Å; Y417-Q457 HydrophobicContact CD2-CB 4.43Å; Y417-Q457 HydrophobicContact CE1-CB 3.52Å; Y417-Q457 HydrophobicContact CE1-CG 3.97Å; Y417-Q457 HydrophobicContact CE2-CB 4.14Å; Y417-Q457 HydrophobicContact CE2-CG 4.09Å; Y417-Q457 HydrophobicContact CG-CB 4.33Å; Y417-N458 VanDerWaalsContact CB-O 3.25Å; Y417-N458 WeakPolarHBondContact CB-O 3.2Å; Y417-P459 PolarHBondContact N-O 2.99Å; Y417-K461 PolarHBondContact N-O 2.89Å; Y417-I463 HydrophobicContact CD2-CD1 3.81Å; Y417-I463 HydrophobicContact CD2-CG1 4.46Å; Y417-I463 HydrophobicContact CE2-CD1 4.47Å; Y417-I463 HydrophobicContact CG-CD1 4.44Å
418	V	93	Very high	79	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-58.7	-38.5	175.3	66.7	0	0	0	0	113.1	R416 F420 Q422 P459 L533 F611	R416-V418 VanDerWaalsContact C-N 3.29Å; R416-V418 HydrophobicContact CB-CG1 4.11Å; R416-V418 PolarHBondContact O-N 2.95Å; V418-F420 VanDerWaalsContact C-N 3.34Å; V418-Q422 PolarHBondContact O-N 3.06Å; V418-P459 HydrophobicContact CB-CB 3.97Å; V418-P459 WeakPolarHBondContact CG1-O 3.34Å; V418-P459 PolarHBondContact N-O 3.2Å; V418-L533 HydrophobicContact CB-CD1 4.44Å; V418-L533 HydrophobicContact CG1-CD2 4.03Å; V418-L533 HydrophobicContact CG2-CD1 3.96Å; V418-F611 HydrophobicContact CG2-CD2 3.9Å; V418-F611 HydrophobicContact CG2-CE2 3.95Å; V418-F611 VanDerWaalsContact O-CE2 3.27Å; V418-F611 WeakPolarHBondContact O-CE2 3.29Å
419	Q	93.9	Very high	80.8	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-73.9	-29.2	176.5	-63.3	168.5	-34.5	0	0	111.3	G401 L403 L415 R416 Y417 Q422 F423	G401-Q419 PolarHBondContact O-NE2 3.39Å; G401-Q419 VanDerWaalsContact O-NE2 3.14Å; L403-Q419 PolarHBondContact O-NE2 3.43Å; L415-Q419 HydrophobicContact CD1-CB 3.5Å; L415-Q419 VanDerWaalsContact CD1-CB 3.5Å; L415-Q419 HydrophobicContact CG-CB 4.34Å; R416-Q419 HydrophobicContact CB-CG 4.39Å; R416-Q419 WeakPolarHBondContact O-CB 3.45Å; R416-Q419 PolarHBondContact O-N 2.85Å; Y417-Q419 VanDerWaalsContact C-N 3.31Å; Y417-Q419 PolarHBondContact O-N 2.95Å; Q419-Q422 WeakPolarHBondContact O-CB 3.46Å; Q419-Q422 PolarHBondContact O-N 3.31Å; Q419-F423 PolarHBondContact O-N 3.42Å; Q419-F423 VanDerWaalsContact O-N 3.07Å
420	F	93.7	Very high	82.7	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-72.7	-39	173	-179	-110.3	0	0	0	112.5	L415 R416 Y417 V418 Q422 F423 L424 I442 I463 F468 I471	L415-F420 HydrophobicContact CD2-CB 3.78Å; L415-F420 HydrophobicContact CD2-CD2 3.82Å; L415-F420 HydrophobicContact CD2-CG 4.23Å; L415-F420 HydrophobicContact CG-CB 4.16Å; R416-F420 PolarHBondContact O-N 3.38Å; Y417-F420 CarbonylContact O-C 3.32Å; Y417-F420 WeakPolarHBondContact O-CA 3.38Å; Y417-F420 WeakPolarHBondContact O-CB 3.4Å; Y417-F420 PolarHBondContact O-N 3.35Å; V418-F420 VanDerWaalsContact C-N 3.34Å; F420-Q422 VanDerWaalsContact C-N 3.28Å; F420-Q422 PolarHBondContact O-N 2.84Å; F420-F423 AromaticContact CD2-CD1 3.78Å; F420-F423 HydrophobicContact CD2-CD1 3.78Å; F420-F423 HydrophobicContact CD2-CE1 4.48Å; F420-F423 HydrophobicContact CD2-CG 4.47Å; F420-F423 AromaticContact CE2-CD1 3.59Å; F420-F423 HydrophobicContact CE2-CD1 3.59Å; F420-F423 AromaticContact CE2-CE1 3.88Å; F420-F423 HydrophobicContact CE2-CE1 3.88Å; F420-F423 HydrophobicContact CZ-CD1 4.47Å; F420-F423 WeakPolarHBondContact O-CA 3.11Å; F420-F423 WeakPolarHBondContact O-CB 3.35Å; F420-F423 PolarHBondContact O-N 2.78Å; F420-F423 VanDerWaalsContact O-N 3.07Å; F420-L424 HydrophobicContact CD1-CD1 4.1Å; F420-L424 HydrophobicContact CD1-CG 4.34Å; F420-L424 HydrophobicContact CE1-CD1 3.63Å; F420-L424 HydrophobicContact CE1-CD2 4.13Å; F420-L424 HydrophobicContact CE1-CG 3.92Å; F420-L424 HydrophobicContact CE2-CD2 4.24Å; F420-L424 HydrophobicContact CE2-CG 4.42Å; F420-L424 HydrophobicContact CZ-CD1 4.11Å; F420-L424 HydrophobicContact CZ-CD2 3.72Å; F420-L424 HydrophobicContact CZ-CG 3.96Å; F420-L424 WeakPolarHBondContact O-CG 3.39Å; F420-L424 PolarHBondContact O-N 3.25Å; F420-I442 HydrophobicContact CE1-CD1 3.82Å; F420-I463 HydrophobicContact CB-CD1 3.45Å; F420-I463 VanDerWaalsContact CB-CD1 3.45Å; F420-I463 HydrophobicContact CD1-CD1 3.8Å; F420-I463 HydrophobicContact CD2-CD1 4.45Å; F420-I463 HydrophobicContact CG-CD1 3.64Å; F420-F468 AromaticContact CD2-CD2 3.79Å; F420-F468 HydrophobicContact CD2-CD2 3.79Å; F420-F468 HydrophobicContact CD2-CE2 4.04Å; F420-F468 AromaticContact CE2-CD2 3.64Å; F420-F468 HydrophobicContact CE2-CD2 3.64Å; F420-F468 AromaticContact CE2-CE2 3.82Å; F420-F468 HydrophobicContact CE2-CE2 3.82Å; F420-I471 HydrophobicContact CE1-CD1 4.22Å; F420-I471 HydrophobicContact CE1-CG2 3.82Å; F420-I471 HydrophobicContact CZ-CB 4.2Å; F420-I471 HydrophobicContact CZ-CD1 4.37Å; F420-I471 HydrophobicContact CZ-CG2 3.46Å; F420-I471 VanDerWaalsContact CZ-CG2 3.46Å
421	C	93.3	Very high	84.4	Confident	3 Å²	3	24.4 Å²	24.4	2%	0.02	12%	0.117	C	C	.	.	H	α-helix	trans	-56.9	-42.6	168.9	-64.9	0	0	0	0	111.3	Y417 F423 L424 K425 L435 F611	Y417-C421 VanDerWaalsContact CD1-SG 3.54Å; Y417-C421 WeakPolarHBondContact CE1-SG 3.16Å; Y417-C421 PolarHBondContact O-N 2.98Å; Y417-C421 PolarHBondContact O-SG 2.93Å; Y417-C421 VanDerWaalsContact O-SG 3.36Å; C421-F423 VanDerWaalsContact C-N 3.34Å; C421-F423 PolarHBondContact O-N 2.9Å; C421-L424 PolarHBondContact O-N 3.23Å; C421-K425 WeakPolarHBondContact O-CB 3.48Å; C421-K425 PolarHBondContact O-N 2.92Å; C421-L435 HydrophobicContact CB-CD2 4.22Å; C421-F611 HydrophobicContact CB-CB 4.01Å; C421-F611 HydrophobicContact CB-CD1 3.96Å; C421-F611 HydrophobicContact CB-CD2 3.28Å; C421-F611 HydrophobicContact CB-CE1 4.26Å; C421-F611 HydrophobicContact CB-CE2 3.63Å; C421-F611 HydrophobicContact CB-CG 3.46Å; C421-F611 VanDerWaalsContact CB-CG 3.46Å; C421-F611 HydrophobicContact CB-CZ 4.11Å
422	Q	94.4	Very high	85.5	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.1	-40.1	173.1	-173.7	66	57.3	0	0	112.6	Y400 L403 V418 Q419 F420 K425 D426 L515 S516 Y520 F611	Y400-Q422 HydrophobicContact CD1-CG 4.4Å; Y400-Q422 HydrophobicContact CE1-CG 4.18Å; L403-Q422 HydrophobicContact CD1-CG 4.19Å; V418-Q422 PolarHBondContact O-N 3.06Å; Q419-Q422 WeakPolarHBondContact O-CB 3.46Å; Q419-Q422 PolarHBondContact O-N 3.31Å; F420-Q422 VanDerWaalsContact C-N 3.28Å; F420-Q422 PolarHBondContact O-N 2.84Å; Q422-K425 PolarHBondContact O-N 3.4Å; Q422-D426 PolarHBondContact NE2-OD1 3.04Å; Q422-D426 PolarHBondContact O-N 2.9Å; Q422-L515 HydrophobicContact CG-CD2 4.47Å; Q422-S516 PolarHBondContact NE2-O 3.15Å; Q422-Y520 HydrophobicContact CB-CD2 4.17Å; Q422-Y520 HydrophobicContact CB-CE2 3.85Å; Q422-Y520 HydrophobicContact CG-CD2 3.63Å; Q422-Y520 HydrophobicContact CG-CE2 3.86Å; Q422-Y520 VanDerWaalsContact OE1-CD2 3.31Å; Q422-F611 HydrophobicContact CB-CE2 4.43Å; Q422-F611 HydrophobicContact CB-CZ 4.17Å
423	F	94.6	Very high	86.8	Confident	1 Å²	1	26.3 Å²	26.3	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-61.1	-46.2	172.9	160.9	-90.3	0	0	0	112.1	Y400 Q419 F420 C421 K425 D426 C427 F468 L472 I508	Y400-F423 HydrophobicContact CD1-CB 3.75Å; Y400-F423 HydrophobicContact CD2-CB 3.94Å; Y400-F423 AromaticContact CD2-CD2 3.75Å; Y400-F423 HydrophobicContact CD2-CD2 3.75Å; Y400-F423 HydrophobicContact CD2-CG 4.31Å; Y400-F423 HydrophobicContact CE1-CB 3.95Å; Y400-F423 HydrophobicContact CE2-CB 4.15Å; Y400-F423 AromaticContact CE2-CD2 3.64Å; Y400-F423 HydrophobicContact CE2-CD2 3.64Å; Y400-F423 HydrophobicContact CE2-CG 4.39Å; Y400-F423 HydrophobicContact CG-CB 3.77Å; Y400-F423 HydrophobicContact CG-CD2 4.45Å; Q419-F423 PolarHBondContact O-N 3.42Å; Q419-F423 VanDerWaalsContact O-N 3.07Å; F420-F423 AromaticContact CD2-CD1 3.78Å; F420-F423 HydrophobicContact CD2-CD1 3.78Å; F420-F423 HydrophobicContact CD2-CE1 4.48Å; F420-F423 HydrophobicContact CD2-CG 4.47Å; F420-F423 AromaticContact CE2-CD1 3.59Å; F420-F423 HydrophobicContact CE2-CD1 3.59Å; F420-F423 AromaticContact CE2-CE1 3.88Å; F420-F423 HydrophobicContact CE2-CE1 3.88Å; F420-F423 HydrophobicContact CZ-CD1 4.47Å; F420-F423 WeakPolarHBondContact O-CA 3.11Å; F420-F423 WeakPolarHBondContact O-CB 3.35Å; F420-F423 PolarHBondContact O-N 2.78Å; F420-F423 VanDerWaalsContact O-N 3.07Å; C421-F423 VanDerWaalsContact C-N 3.34Å; C421-F423 PolarHBondContact O-N 2.9Å; F423-K425 VanDerWaalsContact C-N 3.27Å; F423-K425 PolarHBondContact O-N 2.89Å; F423-D426 PolarHBondContact O-N 3.22Å; F423-C427 VanDerWaalsContact CE2-SG 3.51Å; F423-C427 VanDerWaalsContact O-CB 3.3Å; F423-C427 WeakPolarHBondContact O-CB 3.22Å; F423-C427 PolarHBondContact O-N 3.13Å; F423-C427 PolarHBondContact O-SG 2.67Å; F423-F468 HydrophobicContact CD1-CE2 4.03Å; F423-F468 HydrophobicContact CD2-CE2 4.4Å; F423-F468 AromaticContact CE1-CE2 3.83Å; F423-F468 HydrophobicContact CE1-CE2 3.83Å; F423-F468 HydrophobicContact CE1-CZ 4.31Å; F423-F468 HydrophobicContact CE2-CE2 4.19Å; F423-F468 HydrophobicContact CE2-CZ 4.05Å; F423-F468 HydrophobicContact CG-CE2 4.33Å; F423-F468 AromaticContact CZ-CE2 3.9Å; F423-F468 HydrophobicContact CZ-CE2 3.9Å; F423-F468 AromaticContact CZ-CZ 3.92Å; F423-F468 HydrophobicContact CZ-CZ 3.92Å; F423-L472 HydrophobicContact CE1-CD2 3.68Å; F423-L472 HydrophobicContact CZ-CD2 3.91Å; F423-I508 HydrophobicContact CE2-CG2 3.98Å; F423-I508 HydrophobicContact CZ-CD1 4.12Å; F423-I508 HydrophobicContact CZ-CG1 4.13Å; F423-I508 HydrophobicContact CZ-CG2 3.98Å
424	L	92.9	Very high	87.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.4	-35.7	175.7	-64.8	178.4	0	0	0	111.8	F420 C421 K428 L429 L435 L438 I442 L475	F420-L424 HydrophobicContact CD1-CD1 4.1Å; F420-L424 HydrophobicContact CD1-CG 4.34Å; F420-L424 HydrophobicContact CE1-CD1 3.63Å; F420-L424 HydrophobicContact CE1-CD2 4.13Å; F420-L424 HydrophobicContact CE1-CG 3.92Å; F420-L424 HydrophobicContact CE2-CD2 4.24Å; F420-L424 HydrophobicContact CE2-CG 4.42Å; F420-L424 HydrophobicContact CZ-CD1 4.11Å; F420-L424 HydrophobicContact CZ-CD2 3.72Å; F420-L424 HydrophobicContact CZ-CG 3.96Å; F420-L424 WeakPolarHBondContact O-CG 3.39Å; F420-L424 PolarHBondContact O-N 3.25Å; C421-L424 PolarHBondContact O-N 3.23Å; L424-K428 PolarHBondContact O-N 3.16Å; L424-L429 HydrophobicContact CD2-CD1 3.68Å; L424-L429 PolarHBondContact O-N 3.34Å; L424-L435 HydrophobicContact CB-CD1 4.29Å; L424-L435 HydrophobicContact CD1-CD1 3.81Å; L424-L438 HydrophobicContact CD1-CB 4.45Å; L424-L438 HydrophobicContact CD1-CD1 4.22Å; L424-I442 HydrophobicContact CD1-CD1 4.48Å; L424-L475 HydrophobicContact CD2-CD1 3.76Å
425	K	91.8	Very high	88.7	Confident	18 Å²	18	24.2 Å²	24.2	8%	0.078	11%	0.112	C	C	.	.	H	α-helix	trans	-66.1	-54.2	176.8	-170.5	174.9	-178.2	170.7	0	111.7	C421 Q422 F423 C427 K428 H430 C592 F611 E615	C421-K425 WeakPolarHBondContact O-CB 3.48Å; C421-K425 PolarHBondContact O-N 2.92Å; Q422-K425 PolarHBondContact O-N 3.4Å; F423-K425 VanDerWaalsContact C-N 3.27Å; F423-K425 PolarHBondContact O-N 2.89Å; K425-C427 VanDerWaalsContact C-N 3.28Å; K425-C427 PolarHBondContact O-N 2.99Å; K425-K428 WeakPolarHBondContact O-CA 3.41Å; K425-K428 PolarHBondContact O-N 3.37Å; K425-H430 PolarHBondContact O-CE1 3.34Å; K425-H430 VanDerWaalsContact O-CE1 3.3Å; K425-C592 PolarHBondContact NZ-O 3.19Å; K425-F611 HydrophobicContact CD-CE1 4.13Å; K425-E615 IonicContact NZ-OE1 3.39Å; K425-E615 PolarHBondContact NZ-OE1 3.47Å; K425-E615 IonicContact NZ-OE2 2.7Å; K425-E615 PolarHBondContact NZ-OE2 3.09Å
426	D	92.2	Very high	89	Confident	6 Å²	6	24.2 Å²	24.2	3%	0.032	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-38.8	178.2	-71.2	-1.3	0	0	0	111.8	Y400 Q422 F423 K428 N511 K514 L515 S516	Y400-D426 HydrophobicContact CE1-CB 4.45Å; Y400-D426 WeakPolarHBondContact CE1-OD2 3.22Å; Y400-D426 VanDerWaalsContact CZ-OD2 3.3Å; Y400-D426 WeakPolarHBondContact OH-CB 3.49Å; Y400-D426 VanDerWaalsContact OH-CG 3.32Å; Y400-D426 PolarHBondContact OH-OD2 3.16Å; Q422-D426 PolarHBondContact NE2-OD1 3.04Å; Q422-D426 PolarHBondContact O-N 2.9Å; F423-D426 PolarHBondContact O-N 3.22Å; D426-K428 PolarHBondContact O-N 3.28Å; D426-N511 WeakPolarHBondContact O-CB 3.27Å; D426-K514 VanDerWaalsContact CG-O 3.31Å; D426-L515 WeakPolarHBondContact OD2-CA 3.44Å; D426-S516 WeakPolarHBondContact OD1-CB 3.4Å; D426-S516 PolarHBondContact OD1-N 3.33Å; D426-S516 PolarHBondContact OD1-OG 3.35Å
427	C	90.8	Very high	88.8	Confident	2 Å²	2	22 Å²	22	1%	0.014	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-2.5	174.5	-63.9	0	0	0	0	114	F423 K425 L429	F423-C427 VanDerWaalsContact CE2-SG 3.51Å; F423-C427 VanDerWaalsContact O-CB 3.3Å; F423-C427 WeakPolarHBondContact O-CB 3.22Å; F423-C427 PolarHBondContact O-N 3.13Å; F423-C427 PolarHBondContact O-SG 2.67Å; K425-C427 VanDerWaalsContact C-N 3.28Å; K425-C427 PolarHBondContact O-N 2.99Å; C427-L429 HydrophobicContact CB-CD1 4.13Å; C427-L429 HydrophobicContact CB-CG 3.93Å; C427-L429 PolarHBondContact O-N 2.96Å; C427-L429 VanDerWaalsContact O-N 3.14Å
428	K	88.7	Confident	88.7	Confident	99 Å²	99	21.6 Å²	21.6	43%	0.43	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	15.3	179.3	-65	175.8	179.3	174.6	0	115.7	L424 K425 D426 H430 Q431	L424-K428 PolarHBondContact O-N 3.16Å; K425-K428 WeakPolarHBondContact O-CA 3.41Å; K425-K428 PolarHBondContact O-N 3.37Å; D426-K428 PolarHBondContact O-N 3.28Å; K428-H430 PolarHBondContact O-N 2.83Å; K428-H430 VanDerWaalsContact O-N 3.14Å; K428-Q431 HydrophobicContact CB-CG 3.98Å; K428-Q431 HydrophobicContact CG-CG 4.49Å; K428-Q431 WeakPolarHBondContact O-CB 3.16Å; K428-Q431 WeakPolarHBondContact O-CG 3.26Å; K428-Q431 PolarHBondContact O-N 3.5Å
429	L	87.3	Confident	88.3	Confident	16 Å²	16	22.7 Å²	22.7	8%	0.084	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-61.8	-28.6	-176	-62.7	175.9	0	0	0	113	L424 C427 Q431 T433 L438 L503 A507	L424-L429 HydrophobicContact CD2-CD1 3.68Å; L424-L429 PolarHBondContact O-N 3.34Å; C427-L429 HydrophobicContact CB-CD1 4.13Å; C427-L429 HydrophobicContact CB-CG 3.93Å; C427-L429 PolarHBondContact O-N 2.96Å; C427-L429 VanDerWaalsContact O-N 3.14Å; L429-Q431 VanDerWaalsContact C-N 3.31Å; L429-Q431 PolarHBondContact O-N 3.38Å; L429-T433 PolarHBondContact O-OG1 3.36Å; L429-L438 HydrophobicContact CB-CD1 4.2Å; L429-L503 HydrophobicContact CD1-CD1 4.1Å; L429-L503 HydrophobicContact CD2-CD1 3.43Å; L429-L503 VanDerWaalsContact CD2-CD1 3.43Å; L429-L503 HydrophobicContact CG-CD1 4.44Å; L429-A507 HydrophobicContact CD2-CB 3.62Å
430	H	84.8	Confident	87.7	Confident	12 Å²	12	26.9 Å²	26.9	6%	0.056	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-75.7	-6.7	177.2	69.8	-62.5	0	0	0	114.9	K425 K428 H432 S434 L435 L438 P594 V595	K425-H430 PolarHBondContact O-CE1 3.34Å; K425-H430 VanDerWaalsContact O-CE1 3.3Å; K428-H430 PolarHBondContact O-N 2.83Å; K428-H430 VanDerWaalsContact O-N 3.14Å; H430-H432 VanDerWaalsContact C-N 3.27Å; H430-H432 PolarHBondContact O-N 3.42Å; H430-S434 WeakPolarHBondContact O-CA 3.29Å; H430-S434 PolarHBondContact O-N 3.46Å; H430-S434 VanDerWaalsContact O-N 3.1Å; H430-L435 HydrophobicContact CB-CB 4.35Å; H430-L438 HydrophobicContact CB-CD1 4.24Å; H430-P594 WeakPolarHBondContact CD2-CD 3.44Å; H430-P594 WeakPolarHBondContact NE2-CD 3.4Å; H430-V595 WeakPolarHBondContact O-CG2 3.33Å
431	Q	82.1	Confident	87.1	Confident	90 Å²	90	28.3 Å²	28.3	42%	0.421	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-64.5	-28.1	-176.1	-75.1	-168.3	-41.1	0	0	114.2	K428 L429 P594	K428-Q431 HydrophobicContact CB-CG 3.98Å; K428-Q431 HydrophobicContact CG-CG 4.49Å; K428-Q431 WeakPolarHBondContact O-CB 3.16Å; K428-Q431 WeakPolarHBondContact O-CG 3.26Å; K428-Q431 PolarHBondContact O-N 3.5Å; L429-Q431 VanDerWaalsContact C-N 3.31Å; L429-Q431 PolarHBondContact O-N 3.38Å; Q431-P594 HydrophobicContact CG-CG 4.14Å
432	H	71.4	Confident	86.5	Confident	133 Å²	133	28.4 Å²	28.4	62%	0.616	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-10	-172	-70.8	-49.8	0	0	0	114.4	H430 Y486	H430-H432 VanDerWaalsContact C-N 3.27Å; H430-H432 PolarHBondContact O-N 3.42Å; H432-Y486 HydrophobicContact CB-CD1 4.32Å; H432-Y486 HydrophobicContact CB-CE1 3.6Å; H432-Y486 PolarHBondContact O-OH 2.85Å
433	T	78.6	Confident	85.6	Confident	33 Å²	33	29.2 Å²	29.2	20%	0.202	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-12.8	-178.7	49.4	0	0	0	0	114.5	L429 A437 L479 Y486	L429-T433 PolarHBondContact O-OG1 3.36Å; T433-A437 WeakPolarHBondContact O-CB 3.31Å; T433-L479 HydrophobicContact CG2-CD2 3.52Å; T433-Y486 WeakPolarHBondContact CG2-OH 3.5Å
434	S	87.7	Confident	84.4	Confident	10 Å²	10	34.3 Å²	34.3	7%	0.07	18%	0.175	C	C	.	.			trans	67.8	151.9	-167.6	81.9	0	0	0	0	114.6	H430 A436 A437 L438	H430-S434 WeakPolarHBondContact O-CA 3.29Å; H430-S434 PolarHBondContact O-N 3.46Å; H430-S434 VanDerWaalsContact O-N 3.1Å; S434-A436 PolarHBondContact O-N 2.87Å; S434-A437 PolarHBondContact O-N 3.18Å; S434-A437 PolarHBondContact OG-N 2.92Å; S434-L438 PolarHBondContact O-N 3.06Å
435	L	89.3	Confident	83	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-29.9	175.1	-168.2	59.2	0	0	0	111.7	C421 L424 H430 A437 L438 D439 T609 F611	C421-L435 HydrophobicContact CB-CD2 4.22Å; L424-L435 HydrophobicContact CB-CD1 4.29Å; L424-L435 HydrophobicContact CD1-CD1 3.81Å; H430-L435 HydrophobicContact CB-CB 4.35Å; L435-A437 PolarHBondContact O-N 3Å; L435-L438 HydrophobicContact CD1-CD1 4.28Å; L435-L438 PolarHBondContact O-N 3.02Å; L435-D439 WeakPolarHBondContact O-CB 3.37Å; L435-D439 PolarHBondContact O-N 3.35Å; L435-T609 HydrophobicContact CB-CG2 4.04Å; L435-T609 HydrophobicContact CD2-CG2 4.45Å; L435-T609 HydrophobicContact CG-CG2 4.04Å; L435-F611 HydrophobicContact CD2-CB 3.84Å; L435-F611 HydrophobicContact CD2-CD1 3.72Å; L435-F611 HydrophobicContact CD2-CG 4.06Å
436	A	87.9	Confident	81.7	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-36.9	176.1	0	0	0	0	0	113.6	S434 R440 T560 E607 T609	S434-A436 PolarHBondContact O-N 2.87Å; A436-R440 WeakPolarHBondContact O-CG 3.24Å; A436-R440 PolarHBondContact O-N 2.93Å; A436-R440 VanDerWaalsContact O-N 3.15Å; A436-T560 HydrophobicContact CB-CG2 3.89Å; A436-E607 HydrophobicContact CB-CB 3.75Å; A436-T609 HydrophobicContact CB-CG2 3.99Å
437	A	85.5	Confident	80	Confident	22 Å²	22	37.9 Å²	37.9	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-72.2	-39.2	174.4	0	0	0	0	0	111.9	T433 S434 L435 R440 I441	T433-A437 WeakPolarHBondContact O-CB 3.31Å; S434-A437 PolarHBondContact O-N 3.18Å; S434-A437 PolarHBondContact OG-N 2.92Å; L435-A437 PolarHBondContact O-N 3Å; A437-R440 WeakPolarHBondContact O-CB 3.38Å; A437-R440 PolarHBondContact O-N 2.88Å; A437-I441 WeakPolarHBondContact O-CG1 3.28Å; A437-I441 PolarHBondContact O-N 3.04Å
438	L	88.2	Confident	78.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.4	-46.3	175.1	-59.6	174.1	0	0	0	110.8	L424 L429 H430 S434 L435 R440 I441 I442 L475 L479	L424-L438 HydrophobicContact CD1-CB 4.45Å; L424-L438 HydrophobicContact CD1-CD1 4.22Å; L429-L438 HydrophobicContact CB-CD1 4.2Å; H430-L438 HydrophobicContact CB-CD1 4.24Å; S434-L438 PolarHBondContact O-N 3.06Å; L435-L438 HydrophobicContact CD1-CD1 4.28Å; L435-L438 PolarHBondContact O-N 3.02Å; L438-R440 VanDerWaalsContact C-N 3.31Å; L438-R440 PolarHBondContact O-N 2.71Å; L438-I441 PolarHBondContact O-N 3.38Å; L438-I442 WeakPolarHBondContact O-CD1 3.48Å; L438-I442 VanDerWaalsContact O-CG1 3.23Å; L438-I442 WeakPolarHBondContact O-CG1 3.34Å; L438-I442 PolarHBondContact O-N 2.85Å; L438-L475 HydrophobicContact CD2-CD1 4.46Å; L438-L475 HydrophobicContact CD2-CD2 3.69Å; L438-L479 HydrophobicContact CD2-CD1 4.23Å; L438-L479 HydrophobicContact CD2-CD2 4.27Å
439	D	85.9	Confident	76.5	Confident	25 Å²	25	39 Å²	39	13%	0.134	21%	0.212	C	C	.	.	H	α-helix	trans	-57.1	-40.9	174.5	-86.1	3	0	0	0	112.2	Y417 L435 I442 A443 T609	Y417-D439 WeakPolarHBondContact CE1-OD1 3.49Å; Y417-D439 PolarHBondContact OH-OD1 2.75Å; L435-D439 WeakPolarHBondContact O-CB 3.37Å; L435-D439 PolarHBondContact O-N 3.35Å; D439-I442 PolarHBondContact O-N 3.08Å; D439-A443 VanDerWaalsContact O-CB 3.26Å; D439-A443 WeakPolarHBondContact O-CB 3.37Å; D439-A443 PolarHBondContact O-N 3.28Å; D439-T609 WeakPolarHBondContact OD2-CG2 3.49Å
440	R	81.4	Confident	74.7	Confident	89 Å²	89	40.2 Å²	40.2	34%	0.336	22%	0.218	S	C	.	.	H	α-helix	trans	-63.4	-47	174.8	-78.5	-175.6	-74.1	-95.7	7.4	112.4	A436 A437 L438 I442 A443 V444 E607	A436-R440 WeakPolarHBondContact O-CG 3.24Å; A436-R440 PolarHBondContact O-N 2.93Å; A436-R440 VanDerWaalsContact O-N 3.15Å; A437-R440 WeakPolarHBondContact O-CB 3.38Å; A437-R440 PolarHBondContact O-N 2.88Å; L438-R440 VanDerWaalsContact C-N 3.31Å; L438-R440 PolarHBondContact O-N 2.71Å; R440-I442 VanDerWaalsContact C-N 3.27Å; R440-I442 PolarHBondContact O-N 3.43Å; R440-A443 PolarHBondContact O-N 2.96Å; R440-V444 WeakPolarHBondContact O-CG2 3.44Å; R440-V444 PolarHBondContact O-N 3.47Å; R440-V444 VanDerWaalsContact O-N 3.15Å; R440-E607 IonicContact CZ-OE1 2.8Å; R440-E607 IonicContact CZ-OE2 2.68Å; R440-E607 IonicContact NH1-OE1 2.72Å; R440-E607 PolarHBondContact NH1-OE1 3.21Å; R440-E607 IonicContact NH1-OE2 3.95Å; R440-E607 PolarHBondContact NH1-OE2 2.66Å; R440-E607 IonicContact NH2-OE2 2.68Å; R440-E607 PolarHBondContact NH2-OE2 2.97Å
441	I	80.1	Confident	72.8	Confident	31 Å²	31	44 Å²	44	16%	0.159	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-40.9	177.9	-68.4	161.5	0	0	0	110.7	A437 L438 S445 I474 L475 N478	A437-I441 WeakPolarHBondContact O-CG1 3.28Å; A437-I441 PolarHBondContact O-N 3.04Å; L438-I441 PolarHBondContact O-N 3.38Å; I441-S445 PolarHBondContact O-OG 3.15Å; I441-I474 HydrophobicContact CG2-CG2 3.52Å; I441-L475 HydrophobicContact CB-CD2 4.36Å; I441-L475 HydrophobicContact CG2-CD2 3.95Å; I441-N478 HydrophobicContact CD1-CB 3.94Å; I441-N478 HydrophobicContact CG1-CB 4.5Å; I441-N478 HydrophobicContact CG2-CB 4.32Å
442	I	80.7	Confident	71.3	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-68.7	-43.3	176.9	-64.1	161	0	0	0	111	Y417 F420 L424 L438 D439 R440 V444 S445 Y446 I471	Y417-I442 HydrophobicContact CE2-CG2 4.17Å; Y417-I442 WeakPolarHBondContact OH-CD1 3.49Å; F420-I442 HydrophobicContact CE1-CD1 3.82Å; L424-I442 HydrophobicContact CD1-CD1 4.48Å; L438-I442 WeakPolarHBondContact O-CD1 3.48Å; L438-I442 VanDerWaalsContact O-CG1 3.23Å; L438-I442 WeakPolarHBondContact O-CG1 3.34Å; L438-I442 PolarHBondContact O-N 2.85Å; D439-I442 PolarHBondContact O-N 3.08Å; R440-I442 VanDerWaalsContact C-N 3.27Å; R440-I442 PolarHBondContact O-N 3.43Å; I442-V444 VanDerWaalsContact C-N 3.33Å; I442-V444 PolarHBondContact O-N 3.1Å; I442-S445 PolarHBondContact O-N 3.36Å; I442-Y446 HydrophobicContact CG2-CD2 4.05Å; I442-Y446 PolarHBondContact O-N 2.85Å; I442-Y446 VanDerWaalsContact O-N 3.12Å; I442-I471 HydrophobicContact CD1-CG2 3.99Å; I442-I471 HydrophobicContact CG1-CG2 3.8Å; I442-I471 HydrophobicContact CG2-CD1 4.29Å; I442-I471 HydrophobicContact CG2-CG1 4.45Å
443	A	76	Confident	70.3	Confident	18 Å²	18	41.9 Å²	41.9	15%	0.149	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-40.7	-179.4	0	0	0	0	0	113	D439 R440 S445 G447	D439-A443 VanDerWaalsContact O-CB 3.26Å; D439-A443 WeakPolarHBondContact O-CB 3.37Å; D439-A443 PolarHBondContact O-N 3.28Å; R440-A443 PolarHBondContact O-N 2.96Å; A443-S445 PolarHBondContact O-N 3.43Å; A443-S445 VanDerWaalsContact O-N 3.16Å; A443-G447 WeakPolarHBondContact O-CA 3.37Å; A443-G447 PolarHBondContact O-N 3.2Å
444	V	68.9	Low	69.3	Low	108 Å²	108	40.6 Å²	40.6	66%	0.655	25%	0.249	S	C	*	.	H	α-helix	trans	-56.6	-30.2	175.5	171.1	0	0	0	0	112.3	R440 I442	R440-V444 WeakPolarHBondContact O-CG2 3.44Å; R440-V444 PolarHBondContact O-N 3.47Å; R440-V444 VanDerWaalsContact O-N 3.15Å; I442-V444 VanDerWaalsContact C-N 3.33Å; I442-V444 PolarHBondContact O-N 3.1Å
445	S	64.4	Low	68.2	Low	25 Å²	25	41 Å²	41	18%	0.175	25%	0.252	C	S	.	.	H	α-helix	trans	-99.6	-25.5	-170.1	-46.1	0	0	0	0	114	H368 I441 I442 A443	H368-S445 PolarHBondContact CE1-OG 3.43Å; H368-S445 PolarHBondContact NE2-OG 3.14Å; I441-S445 PolarHBondContact O-OG 3.15Å; I442-S445 PolarHBondContact O-N 3.36Å; A443-S445 PolarHBondContact O-N 3.43Å; A443-S445 VanDerWaalsContact O-N 3.16Å
446	Y	63.3	Low	67.6	Low	43 Å²	43	41.1 Å²	41.1	17%	0.169	25%	0.253	C	S	.	.	H	α-helix	trans	-127.1	-3.8	-172.3	-66.3	-76.2	0	0	0	114.8	Y364 I442 K461 T467 N470 I471 I474	Y364-Y446 HydrophobicContact CD1-CE1 4.3Å; Y364-Y446 HydrophobicContact CE1-CD1 4.36Å; Y364-Y446 AromaticContact CE1-CE1 3.73Å; Y364-Y446 HydrophobicContact CE1-CE1 3.73Å; I442-Y446 HydrophobicContact CG2-CD2 4.05Å; I442-Y446 PolarHBondContact O-N 2.85Å; I442-Y446 VanDerWaalsContact O-N 3.12Å; Y446-K461 PolarHBondContact O-NZ 2.98Å; Y446-T467 HydrophobicContact CD1-CG2 4.1Å; Y446-T467 HydrophobicContact CE1-CG2 3.67Å; Y446-T467 PolarHBondContact OH-O 2.78Å; Y446-N470 WeakPolarHBondContact OH-CB 3.38Å; Y446-I471 HydrophobicContact CD2-CG1 4.07Å; Y446-I471 HydrophobicContact CE2-CD1 4.2Å; Y446-I471 HydrophobicContact CE2-CG1 3.38Å; Y446-I474 HydrophobicContact CE2-CD1 3.88Å
447	G	57.7	Low	67.3	Low	31 Å²	31	41.5 Å²	41.5	32%	0.32	25%	0.254	S	S	.	.			trans	64	164.4	-175.5	0	0	0	0	0	114.5	A443 K461	A443-G447 WeakPolarHBondContact O-CA 3.37Å; A443-G447 PolarHBondContact O-N 3.2Å; G447-K461 PolarHBondContact O-NZ 3.49Å
448	S	54.6	Low	67.2	Low	39 Å²	39	42.3 Å²	42.3	27%	0.273	26%	0.255	S	S	.	.			trans	-76	137.7	147.6	46.9	0	0	0	0	108.2	S455	S448-S455 WeakPolarHBondContact OG-CB 3.22Å
449	E	50.7	Low	67.3	Low	85 Å²	85	42.4 Å²	42.4	40%	0.397	26%	0.256	S	S	.	.	S	Bend	trans	-81.7	-29	178.4	-62.7	-172.5	116.6	0	0	111.2	H272 K278 G451 K461	H272-E449 IonicContact CE1-OE1 2.69Å; K278-E449 IonicContact NZ-OE1 3.47Å; K278-E449 PolarHBondContact NZ-OE1 2.88Å; E449-G451 PolarHBondContact O-N 3.12Å; E449-K461 HydrophobicContact CG-CD 4.39Å; E449-K461 WeakPolarHBondContact OE2-CD 3.3Å; E449-K461 VanDerWaalsContact OE2-CE 3.24Å; E449-K461 WeakPolarHBondContact OE2-CE 3.31Å; E449-K461 WeakPolarHBondContact OE2-CG 3.46Å; E449-K461 IonicContact OE2-NZ 3.16Å
450	D	49.7	Very low	67.3	Low	41 Å²	41	44.5 Å²	44.5	22%	0.219	27%	0.265	C	S	.	.	S	Bend	trans	-58.6	117.2	164.1	-50.7	15.7	0	0	0	109.1	D452 Y537 K541	D450-D452 HydrophobicContact CB-CB 4.12Å; D450-D452 PolarHBondContact O-N 2.88Å; D450-Y537 PolarHBondContact OD2-OH 3.25Å; D450-K541 IonicContact OD2-NZ 3.09Å; D450-K541 PolarHBondContact OD2-NZ 3.07Å
451	G	45.3	Very low	67.4	Low	93 Å²	93	41.5 Å²	41.5	96%	0.959	25%	0.254	S	S	*	.			trans	-68.1	15.3	165.9	0	0	0	0	0	113.8	E449	E449-G451 PolarHBondContact O-N 3.12Å
452	D	49.6	Very low	67.5	Low	59 Å²	59	44.1 Å²	44.1	32%	0.316	27%	0.268	S	S	.	.	S	Bend	trans	-70.8	146.7	167.2	-100.9	-41.8	0	0	0	109.6	D450 I454 K541 R545	D450-D452 HydrophobicContact CB-CB 4.12Å; D450-D452 PolarHBondContact O-N 2.88Å; D452-I454 PolarHBondContact O-N 3.33Å; D452-K541 IonicContact OD2-NZ 3.67Å; D452-K541 PolarHBondContact OD2-NZ 3.24Å; D452-R545 IonicContact OD1-CZ 2.94Å; D452-R545 IonicContact OD1-NH1 2.67Å; D452-R545 PolarHBondContact OD1-NH1 2.91Å; D452-R545 IonicContact OD2-NH1 2.72Å
453	D	51.3	Low	67.3	Low	118 Å²	118	44.1 Å²	44.1	63%	0.631	27%	0.268	S	S	*	.	S	Bend	trans	-64.9	14.9	177.2	-140.7	39.6	0	0	0	114.2	R548	D453-R548 PolarHBondContact O-NH1 3.12Å; D453-R548 IonicContact OD2-CZ 2.83Å; D453-R548 IonicContact OD2-NH1 3.73Å; D453-R548 PolarHBondContact OD2-NH1 3.49Å; D453-R548 IonicContact OD2-NH2 2.8Å; D453-R548 PolarHBondContact OD2-NH2 3.29Å
454	I	56.5	Low	67.3	Low	7 Å²	7	44.6 Å²	44.6	4%	0.036	27%	0.27	C	S	.	.			trans	-142.3	96	-164.3	-41.6	178	0	0	0	109.9	D452 V456 R545	D452-I454 PolarHBondContact O-N 3.33Å; I454-V456 HydrophobicContact CG2-CG2 4.01Å; I454-V456 PolarHBondContact O-N 2.85Å; I454-R545 HydrophobicContact CD1-CB 3.59Å; I454-R545 HydrophobicContact CD1-CG 3.53Å
455	S	65.8	Low	67.6	Low	18 Å²	18	41.4 Å²	41.4	13%	0.126	25%	0.248	C	C	.	.			trans	-81.9	56.5	-176.3	71.1	0	0	0	0	113.8	S448 Y559	S448-S455 WeakPolarHBondContact OG-CB 3.22Å; S455-Y559 WeakPolarHBondContact OG-CD1 3.45Å; S455-Y559 WeakPolarHBondContact OG-CD2 3.46Å; S455-Y559 VanDerWaalsContact OG-CE1 3.3Å; S455-Y559 WeakPolarHBondContact OG-CE1 3.28Å; S455-Y559 WeakPolarHBondContact OG-CE2 3.46Å; S455-Y559 VanDerWaalsContact OG-CG 3.27Å
456	V	76.8	Confident	67.9	Low	7 Å²	7	41.4 Å²	41.4	4%	0.042	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-71.9	125.7	161.7	-172.8	0	0	0	0	107.2	I454 N458 Y537 Y540 K541 F610	I454-V456 HydrophobicContact CG2-CG2 4.01Å; I454-V456 PolarHBondContact O-N 2.85Å; V456-N458 PolarHBondContact O-N 2.97Å; V456-Y537 HydrophobicContact CB-CE2 4.31Å; V456-Y537 HydrophobicContact CG1-CD2 4.45Å; V456-Y537 HydrophobicContact CG1-CE2 3.81Å; V456-Y537 PolarHBondContact O-OH 3.39Å; V456-Y540 HydrophobicContact CG1-CD1 3.88Å; V456-Y540 HydrophobicContact CG1-CE1 3.66Å; V456-Y540 HydrophobicContact CG2-CD1 4.32Å; V456-Y540 HydrophobicContact CG2-CE1 3.98Å; V456-K541 HydrophobicContact CB-CG 4.28Å; V456-K541 HydrophobicContact CG2-CG 4.32Å; V456-F610 HydrophobicContact CG1-CB 4.17Å
457	Q	80.5	Confident	68.6	Low	8 Å²	8	41 Å²	41	4%	0.037	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-66.4	127.2	177.9	-66.7	-68.9	-7.1	0	0	110.2	Y417	Y417-Q457 HydrophobicContact CD1-CB 3.87Å; Y417-Q457 HydrophobicContact CD2-CB 4.43Å; Y417-Q457 HydrophobicContact CE1-CB 3.52Å; Y417-Q457 HydrophobicContact CE1-CG 3.97Å; Y417-Q457 HydrophobicContact CE2-CB 4.14Å; Y417-Q457 HydrophobicContact CE2-CG 4.09Å; Y417-Q457 HydrophobicContact CG-CB 4.33Å
458	N	84.6	Confident	69.8	Low	40 Å²	40	39.6 Å²	39.6	21%	0.214	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-66.9	120.2	177.1	177.4	-12.6	0	0	0	109.5	Y417 V456 E460 K461 Y537	Y417-N458 VanDerWaalsContact CB-O 3.25Å; Y417-N458 WeakPolarHBondContact CB-O 3.2Å; V456-N458 PolarHBondContact O-N 2.97Å; N458-E460 PolarHBondContact O-N 3.23Å; N458-E460 VanDerWaalsContact O-N 3.15Å; N458-E460 PolarHBondContact OD1-N 3.46Å; N458-K461 HydrophobicContact CB-CB 4.21Å; N458-K461 WeakPolarHBondContact O-CB 3.19Å; N458-K461 PolarHBondContact O-N 3.16Å; N458-Y537 WeakPolarHBondContact CA-OH 3.38Å; N458-Y537 HydrophobicContact CB-CE1 4.24Å
459	P	90.4	Very high	71.1	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.013	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.8	-178.2	26.5	-36.9	0	0	0	113.5	Y417 V418 L533 Y537 F610	Y417-P459 PolarHBondContact N-O 2.99Å; V418-P459 HydrophobicContact CB-CB 3.97Å; V418-P459 WeakPolarHBondContact CG1-O 3.34Å; V418-P459 PolarHBondContact N-O 3.2Å; P459-L533 HydrophobicContact CB-CD1 3.99Å; P459-L533 HydrophobicContact CB-CD2 4.27Å; P459-L533 HydrophobicContact CB-CG 4.18Å; P459-L533 HydrophobicContact CG-CD1 4.3Å; P459-L533 HydrophobicContact CG-CG 4.15Å; P459-Y537 VanDerWaalsContact CD-CE2 3.5Å; P459-Y537 HydrophobicContact CG-CD1 4.47Å; P459-Y537 HydrophobicContact CG-CD2 3.99Å; P459-Y537 HydrophobicContact CG-CG 3.89Å; P459-F610 HydrophobicContact CB-CD1 3.9Å; P459-F610 HydrophobicContact CB-CE1 3.62Å; P459-F610 HydrophobicContact CG-CD1 3.94Å; P459-F610 HydrophobicContact CG-CE1 3.55Å; P459-F610 HydrophobicContact CG-CZ 4.36Å
460	E	85.8	Confident	72.5	Confident	69 Å²	69	34.3 Å²	34.3	32%	0.322	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-7	179.4	-56.1	-148.2	98.3	0	0	113.6	R416 N458 L462 L533	R416-E460 IonicContact NH1-OE1 3.88Å; R416-E460 PolarHBondContact NH1-OE1 3.08Å; N458-E460 PolarHBondContact O-N 3.23Å; N458-E460 VanDerWaalsContact O-N 3.15Å; N458-E460 PolarHBondContact OD1-N 3.46Å; E460-L462 PolarHBondContact O-N 2.79Å; E460-L533 HydrophobicContact CG-CD2 4.07Å
461	K	82.6	Confident	74.3	Confident	25 Å²	25	32.5 Å²	32.5	11%	0.109	20%	0.201	C	C	.	.			trans	-52.3	126.8	178.5	177.3	169	-177.2	176	0	110.6	R416 Y417 Y446 G447 E449 N458	R416-K461 CarbonylContact C-O 3.59Å; R416-K461 WeakPolarHBondContact CA-O 3.43Å; Y417-K461 PolarHBondContact N-O 2.89Å; Y446-K461 PolarHBondContact O-NZ 2.98Å; G447-K461 PolarHBondContact O-NZ 3.49Å; E449-K461 HydrophobicContact CG-CD 4.39Å; E449-K461 WeakPolarHBondContact OE2-CD 3.3Å; E449-K461 VanDerWaalsContact OE2-CE 3.24Å; E449-K461 WeakPolarHBondContact OE2-CE 3.31Å; E449-K461 WeakPolarHBondContact OE2-CG 3.46Å; E449-K461 IonicContact OE2-NZ 3.16Å; N458-K461 HydrophobicContact CB-CB 4.21Å; N458-K461 WeakPolarHBondContact O-CB 3.19Å; N458-K461 PolarHBondContact O-N 3.16Å
462	L	81.6	Confident	76.4	Confident	86 Å²	86	28.2 Å²	28.2	45%	0.45	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	122.9	-176.9	-61.3	-175.9	0	0	0	110.7	I414 R416 E460	I414-L462 HydrophobicContact CG2-CB 3.9Å; I414-L462 HydrophobicContact CG2-CD1 4.39Å; I414-L462 HydrophobicContact CG2-CD2 3.89Å; I414-L462 HydrophobicContact CG2-CG 4.27Å; R416-L462 HydrophobicContact CG-CD2 4.34Å; E460-L462 PolarHBondContact O-N 2.79Å
463	I	77.4	Confident	78.1	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	110.6	175.4	-62.4	171.4	0	0	0	107.1	Y397 L415 Y417 F420 T467 F468 I471	Y397-I463 WeakPolarHBondContact CE2-O 3.4Å; Y397-I463 PolarHBondContact OH-O 3.04Å; L415-I463 HydrophobicContact CB-CB 4.4Å; L415-I463 PolarHBondContact O-N 3.24Å; Y417-I463 HydrophobicContact CD2-CD1 3.81Å; Y417-I463 HydrophobicContact CD2-CG1 4.46Å; Y417-I463 HydrophobicContact CE2-CD1 4.47Å; Y417-I463 HydrophobicContact CG-CD1 4.44Å; F420-I463 HydrophobicContact CB-CD1 3.45Å; F420-I463 VanDerWaalsContact CB-CD1 3.45Å; F420-I463 HydrophobicContact CD1-CD1 3.8Å; F420-I463 HydrophobicContact CD2-CD1 4.45Å; F420-I463 HydrophobicContact CG-CD1 3.64Å; I463-T467 HydrophobicContact CG2-CG2 3.98Å; I463-F468 HydrophobicContact CG2-CB 3.89Å; I463-I471 HydrophobicContact CG2-CD1 4.32Å
464	S	75.1	Confident	79.7	Confident	28 Å²	28	20 Å²	20	20%	0.196	11%	0.112	C	C	.	.			trans	-68.1	163.9	172.9	82	0	0	0	0	111.4	G466 T467 F468	S464-G466 VanDerWaalsContact C-N 3.26Å; S464-G466 PolarHBondContact O-N 2.92Å; S464-G466 PolarHBondContact OG-N 3.48Å; S464-T467 WeakPolarHBondContact O-CB 3.4Å; S464-T467 PolarHBondContact O-N 3.03Å; S464-T467 PolarHBondContact OG-N 3.25Å; S464-T467 VanDerWaalsContact OG-N 3.07Å; S464-T467 PolarHBondContact OG-OG1 3.26Å; S464-F468 WeakPolarHBondContact O-CB 3.33Å; S464-F468 PolarHBondContact O-N 3.41Å
465	F	75.5	Confident	81.2	Confident	42 Å²	42	19.7 Å²	19.7	18%	0.184	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-36	175	178.6	-103.3	0	0	0	112.8	L390 L393 R394 Y397 F468 V469	L390-F465 HydrophobicContact CD2-CE1 3.95Å; L390-F465 HydrophobicContact CD2-CZ 4.03Å; L393-F465 HydrophobicContact CB-CE2 4.23Å; L393-F465 HydrophobicContact CB-CZ 4.33Å; R394-F465 HydrophobicContact CB-CE2 4.24Å; R394-F465 HydrophobicContact CB-CZ 4.48Å; R394-F465 HydrophobicContact CG-CD1 4.39Å; R394-F465 HydrophobicContact CG-CD2 4.05Å; R394-F465 HydrophobicContact CG-CE1 3.87Å; R394-F465 HydrophobicContact CG-CE2 3.48Å; R394-F465 VanDerWaalsContact CG-CE2 3.48Å; R394-F465 HydrophobicContact CG-CG 4.48Å; R394-F465 HydrophobicContact CG-CZ 3.38Å; Y397-F465 HydrophobicContact CD1-CB 4.39Å; Y397-F465 HydrophobicContact CD1-CD2 4.13Å; Y397-F465 HydrophobicContact CD2-CD2 4.15Å; Y397-F465 HydrophobicContact CE1-CB 4.15Å; Y397-F465 HydrophobicContact CE2-CB 4.28Å; Y397-F465 AromaticContact CG-CD2 3.84Å; Y397-F465 HydrophobicContact CG-CD2 3.84Å; Y397-F465 PolarHBondContact OH-N 2.88Å; F465-F468 HydrophobicContact CD2-CD1 4.19Å; F465-F468 HydrophobicContact CE2-CD1 4.15Å; F465-F468 PolarHBondContact O-N 3.49Å; F465-V469 HydrophobicContact CD1-CG2 4.46Å; F465-V469 HydrophobicContact CE1-CG2 3.85Å; F465-V469 HydrophobicContact CE2-CG2 3.9Å; F465-V469 HydrophobicContact CZ-CG2 3.52Å; F465-V469 WeakPolarHBondContact O-CG2 3.37Å; F465-V469 PolarHBondContact O-N 3.43Å; F465-V469 VanDerWaalsContact O-N 3.07Å
466	G	71	Confident	82.2	Confident	25 Å²	25	18.8 Å²	18.8	26%	0.258	11%	0.105	S	C	.	.	H	α-helix	trans	-65.7	-46.4	174.6	0	0	0	0	0	111.7	S464 F468 V469 N470	S464-G466 VanDerWaalsContact C-N 3.26Å; S464-G466 PolarHBondContact O-N 2.92Å; S464-G466 PolarHBondContact OG-N 3.48Å; G466-F468 VanDerWaalsContact C-N 3.32Å; G466-F468 PolarHBondContact O-N 2.8Å; G466-V469 PolarHBondContact O-N 3.2Å; G466-N470 WeakPolarHBondContact O-CB 3.34Å; G466-N470 PolarHBondContact O-N 3.09Å; G466-N470 PolarHBondContact O-OD1 2.91Å
467	T	78	Confident	82.5	Confident	35 Å²	35	18.5 Å²	18.5	22%	0.215	10%	0.103	C	C	.	.	H	α-helix	trans	-56.6	-44.9	173.9	-47.5	0	0	0	0	111.4	Y446 I463 S464 N470 I471	Y446-T467 HydrophobicContact CD1-CG2 4.1Å; Y446-T467 HydrophobicContact CE1-CG2 3.67Å; Y446-T467 PolarHBondContact OH-O 2.78Å; I463-T467 HydrophobicContact CG2-CG2 3.98Å; S464-T467 WeakPolarHBondContact O-CB 3.4Å; S464-T467 PolarHBondContact O-N 3.03Å; S464-T467 PolarHBondContact OG-N 3.25Å; S464-T467 VanDerWaalsContact OG-N 3.07Å; S464-T467 PolarHBondContact OG-OG1 3.26Å; T467-N470 PolarHBondContact O-N 3.14Å; T467-I471 HydrophobicContact CG2-CD1 4.07Å; T467-I471 VanDerWaalsContact O-CG1 3.27Å; T467-I471 WeakPolarHBondContact O-CG1 3.18Å; T467-I471 PolarHBondContact O-N 2.93Å
468	F	83.4	Confident	82.4	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.4	-52.1	176.8	168.7	-103	0	0	0	111.8	L393 Y397 L415 F420 F423 I463 S464 F465 G466 N470 I471 L472	L393-F468 HydrophobicContact CB-CE1 4.37Å; L393-F468 HydrophobicContact CD2-CE1 4.27Å; Y397-F468 HydrophobicContact CD2-CB 3.79Å; Y397-F468 AromaticContact CD2-CD1 3.99Å; Y397-F468 HydrophobicContact CD2-CD1 3.99Å; Y397-F468 HydrophobicContact CD2-CD2 4.26Å; Y397-F468 AromaticContact CD2-CG 3.76Å; Y397-F468 HydrophobicContact CD2-CG 3.76Å; Y397-F468 HydrophobicContact CE2-CB 4.03Å; Y397-F468 HydrophobicContact CE2-CG 4.49Å; L415-F468 HydrophobicContact CD2-CD2 3.95Å; L415-F468 HydrophobicContact CD2-CE2 4.45Å; F420-F468 AromaticContact CD2-CD2 3.79Å; F420-F468 HydrophobicContact CD2-CD2 3.79Å; F420-F468 HydrophobicContact CD2-CE2 4.04Å; F420-F468 AromaticContact CE2-CD2 3.64Å; F420-F468 HydrophobicContact CE2-CD2 3.64Å; F420-F468 AromaticContact CE2-CE2 3.82Å; F420-F468 HydrophobicContact CE2-CE2 3.82Å; F423-F468 HydrophobicContact CD1-CE2 4.03Å; F423-F468 HydrophobicContact CD2-CE2 4.4Å; F423-F468 AromaticContact CE1-CE2 3.83Å; F423-F468 HydrophobicContact CE1-CE2 3.83Å; F423-F468 HydrophobicContact CE1-CZ 4.31Å; F423-F468 HydrophobicContact CE2-CE2 4.19Å; F423-F468 HydrophobicContact CE2-CZ 4.05Å; F423-F468 HydrophobicContact CG-CE2 4.33Å; F423-F468 AromaticContact CZ-CE2 3.9Å; F423-F468 HydrophobicContact CZ-CE2 3.9Å; F423-F468 AromaticContact CZ-CZ 3.92Å; F423-F468 HydrophobicContact CZ-CZ 3.92Å; I463-F468 HydrophobicContact CG2-CB 3.89Å; S464-F468 WeakPolarHBondContact O-CB 3.33Å; S464-F468 PolarHBondContact O-N 3.41Å; F465-F468 HydrophobicContact CD2-CD1 4.19Å; F465-F468 HydrophobicContact CE2-CD1 4.15Å; F465-F468 PolarHBondContact O-N 3.49Å; G466-F468 VanDerWaalsContact C-N 3.32Å; G466-F468 PolarHBondContact O-N 2.8Å; F468-N470 VanDerWaalsContact C-N 3.34Å; F468-N470 PolarHBondContact O-N 3.14Å; F468-I471 PolarHBondContact O-N 3.5Å; F468-L472 HydrophobicContact CD1-CD1 4.42Å; F468-L472 HydrophobicContact CE1-CD1 3.83Å; F468-L472 HydrophobicContact CE2-CD1 4.35Å; F468-L472 HydrophobicContact CZ-CD1 3.79Å; F468-L472 HydrophobicContact CZ-CG 4.42Å; F468-L472 WeakPolarHBondContact O-CG 3.13Å; F468-L472 PolarHBondContact O-N 2.72Å
469	V	82.1	Confident	82.3	Confident	8 Å²	8	19.4 Å²	19.4	5%	0.048	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-44.1	177.9	172.6	0	0	0	0	111.1	I386 F465 G466 I471 L472 V473	I386-V469 HydrophobicContact CD1-CG1 4.07Å; I386-V469 HydrophobicContact CG1-CG1 4.19Å; I386-V469 HydrophobicContact CG2-CG1 3.77Å; F465-V469 HydrophobicContact CD1-CG2 4.46Å; F465-V469 HydrophobicContact CE1-CG2 3.85Å; F465-V469 HydrophobicContact CE2-CG2 3.9Å; F465-V469 HydrophobicContact CZ-CG2 3.52Å; F465-V469 WeakPolarHBondContact O-CG2 3.37Å; F465-V469 PolarHBondContact O-N 3.43Å; F465-V469 VanDerWaalsContact O-N 3.07Å; G466-V469 PolarHBondContact O-N 3.2Å; V469-I471 PolarHBondContact O-N 3.43Å; V469-L472 WeakPolarHBondContact O-CB 3.29Å; V469-L472 PolarHBondContact O-N 2.98Å; V469-L472 VanDerWaalsContact O-N 3.17Å; V469-V473 WeakPolarHBondContact O-CG2 3.2Å; V469-V473 PolarHBondContact O-N 3.43Å
470	N	80.1	Confident	81.6	Confident	6 Å²	6	21.3 Å²	21.3	3%	0.032	12%	0.115	C	C	.	.	H	α-helix	trans	-65.7	-36.1	179.5	-72.8	8.5	0	0	0	112.1	L360 Y364 Y446 G466 T467 F468 V473 I474	L360-N470 PolarHBondContact O-ND2 3.43Å; Y364-N470 WeakPolarHBondContact CD2-ND2 3.23Å; Y364-N470 WeakPolarHBondContact CE2-ND2 3.4Å; Y446-N470 WeakPolarHBondContact OH-CB 3.38Å; G466-N470 WeakPolarHBondContact O-CB 3.34Å; G466-N470 PolarHBondContact O-N 3.09Å; G466-N470 PolarHBondContact O-OD1 2.91Å; T467-N470 PolarHBondContact O-N 3.14Å; F468-N470 VanDerWaalsContact C-N 3.34Å; F468-N470 PolarHBondContact O-N 3.14Å; N470-V473 WeakPolarHBondContact O-CB 3.4Å; N470-V473 PolarHBondContact O-N 3.17Å; N470-I474 WeakPolarHBondContact O-CD1 3.12Å; N470-I474 VanDerWaalsContact O-CG1 3.26Å; N470-I474 WeakPolarHBondContact O-CG1 3.27Å; N470-I474 PolarHBondContact O-N 2.68Å
471	I	86.2	Confident	80.5	Confident	3 Å²	3	18.9 Å²	18.9	2%	0.015	11%	0.105	C	C	.	.	H	α-helix	trans	-62	-46.6	170.7	-68.1	163.2	0	0	0	110.7	F420 I442 Y446 I463 T467 F468 V469 V473 I474 L475	F420-I471 HydrophobicContact CE1-CD1 4.22Å; F420-I471 HydrophobicContact CE1-CG2 3.82Å; F420-I471 HydrophobicContact CZ-CB 4.2Å; F420-I471 HydrophobicContact CZ-CD1 4.37Å; F420-I471 HydrophobicContact CZ-CG2 3.46Å; F420-I471 VanDerWaalsContact CZ-CG2 3.46Å; I442-I471 HydrophobicContact CD1-CG2 3.99Å; I442-I471 HydrophobicContact CG1-CG2 3.8Å; I442-I471 HydrophobicContact CG2-CD1 4.29Å; I442-I471 HydrophobicContact CG2-CG1 4.45Å; Y446-I471 HydrophobicContact CD2-CG1 4.07Å; Y446-I471 HydrophobicContact CE2-CD1 4.2Å; Y446-I471 HydrophobicContact CE2-CG1 3.38Å; I463-I471 HydrophobicContact CG2-CD1 4.32Å; T467-I471 HydrophobicContact CG2-CD1 4.07Å; T467-I471 VanDerWaalsContact O-CG1 3.27Å; T467-I471 WeakPolarHBondContact O-CG1 3.18Å; T467-I471 PolarHBondContact O-N 2.93Å; F468-I471 PolarHBondContact O-N 3.5Å; V469-I471 PolarHBondContact O-N 3.43Å; I471-V473 PolarHBondContact O-N 2.84Å; I471-I474 PolarHBondContact O-N 3.03Å; I471-I474 VanDerWaalsContact O-N 3.16Å; I471-L475 HydrophobicContact CG2-CD1 3.94Å; I471-L475 HydrophobicContact CG2-CG 4.04Å; I471-L475 WeakPolarHBondContact O-CB 3.35Å; I471-L475 WeakPolarHBondContact O-CG 3.43Å; I471-L475 PolarHBondContact O-N 2.89Å
472	L	89.3	Confident	79.5	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-58.3	-39.7	177.9	-64.2	-176.5	0	0	0	112.2	L393 F423 F468 V469 L475 A476 L503 I508	L393-L472 HydrophobicContact CD2-CD1 3.63Å; F423-L472 HydrophobicContact CE1-CD2 3.68Å; F423-L472 HydrophobicContact CZ-CD2 3.91Å; F468-L472 HydrophobicContact CD1-CD1 4.42Å; F468-L472 HydrophobicContact CE1-CD1 3.83Å; F468-L472 HydrophobicContact CE2-CD1 4.35Å; F468-L472 HydrophobicContact CZ-CD1 3.79Å; F468-L472 HydrophobicContact CZ-CG 4.42Å; F468-L472 WeakPolarHBondContact O-CG 3.13Å; F468-L472 PolarHBondContact O-N 2.72Å; V469-L472 WeakPolarHBondContact O-CB 3.29Å; V469-L472 PolarHBondContact O-N 2.98Å; V469-L472 VanDerWaalsContact O-N 3.17Å; L472-L475 PolarHBondContact O-N 3.01Å; L472-A476 WeakPolarHBondContact O-CB 3.49Å; L472-A476 PolarHBondContact O-N 3.29Å; L472-L503 HydrophobicContact CB-CD2 4.39Å; L472-L503 WeakPolarHBondContact O-CD2 3.48Å; L472-I508 HydrophobicContact CD1-CD1 3.91Å; L472-I508 HydrophobicContact CD2-CD1 3.75Å; L472-I508 HydrophobicContact CG-CD1 4.35Å
473	V	86	Confident	78	Confident	3 Å²	3	26 Å²	26	2%	0.018	14%	0.136	C	C	.	.	H	α-helix	trans	-61.8	-47	175.2	163	0	0	0	0	111.8	L361 L365 M382 I386 V469 N470 I471 A476 C477 L500	L361-V473 HydrophobicContact CD2-CG1 3.94Å; L361-V473 HydrophobicContact CD2-CG2 4.18Å; L365-V473 HydrophobicContact CD1-CG1 3.88Å; L365-V473 HydrophobicContact CD2-CG1 3.38Å; L365-V473 HydrophobicContact CG-CG1 3.82Å; M382-V473 HydrophobicContact CE-CG1 3.79Å; I386-V473 HydrophobicContact CD1-CG2 3.69Å; I386-V473 HydrophobicContact CG1-CG2 4.27Å; V469-V473 WeakPolarHBondContact O-CG2 3.2Å; V469-V473 PolarHBondContact O-N 3.43Å; N470-V473 WeakPolarHBondContact O-CB 3.4Å; N470-V473 PolarHBondContact O-N 3.17Å; I471-V473 PolarHBondContact O-N 2.84Å; V473-A476 PolarHBondContact O-N 2.88Å; V473-C477 PolarHBondContact O-N 3.46Å; V473-C477 PolarHBondContact O-SG 2.94Å; V473-L500 HydrophobicContact CG2-CD1 4.05Å; V473-L500 HydrophobicContact CG2-CD2 3.89Å
474	I	84.4	Confident	76.7	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-62.7	-44.5	176.3	-68.8	157.7	0	0	0	111	I441 Y446 N470 I471 C477 N478	I441-I474 HydrophobicContact CG2-CG2 3.52Å; Y446-I474 HydrophobicContact CE2-CD1 3.88Å; N470-I474 WeakPolarHBondContact O-CD1 3.12Å; N470-I474 VanDerWaalsContact O-CG1 3.26Å; N470-I474 WeakPolarHBondContact O-CG1 3.27Å; N470-I474 PolarHBondContact O-N 2.68Å; I471-I474 PolarHBondContact O-N 3.03Å; I471-I474 VanDerWaalsContact O-N 3.16Å; I474-C477 PolarHBondContact O-N 3Å; I474-N478 PolarHBondContact O-N 3.17Å; I474-N478 VanDerWaalsContact O-N 3.07Å; I474-N478 PolarHBondContact O-ND2 3.29Å
475	L	88.2	Confident	74.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-41.6	177.6	-68.7	-176	0	0	0	111.6	L424 L438 I441 I471 L472 C477 N478 L479 L503	L424-L475 HydrophobicContact CD2-CD1 3.76Å; L438-L475 HydrophobicContact CD2-CD1 4.46Å; L438-L475 HydrophobicContact CD2-CD2 3.69Å; I441-L475 HydrophobicContact CB-CD2 4.36Å; I441-L475 HydrophobicContact CG2-CD2 3.95Å; I471-L475 HydrophobicContact CG2-CD1 3.94Å; I471-L475 HydrophobicContact CG2-CG 4.04Å; I471-L475 WeakPolarHBondContact O-CB 3.35Å; I471-L475 WeakPolarHBondContact O-CG 3.43Å; I471-L475 PolarHBondContact O-N 2.89Å; L472-L475 PolarHBondContact O-N 3.01Å; L475-C477 VanDerWaalsContact C-N 3.34Å; L475-C477 PolarHBondContact O-N 2.68Å; L475-N478 PolarHBondContact O-N 3.46Å; L475-L479 HydrophobicContact CB-CD1 4.21Å; L475-L479 WeakPolarHBondContact O-CB 3.21Å; L475-L479 WeakPolarHBondContact O-CG 3.46Å; L475-L479 PolarHBondContact O-N 2.6Å; L475-L503 HydrophobicContact CB-CD2 4.47Å
476	A	87.2	Confident	72.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.3	-47.6	175.9	0	0	0	0	0	111.9	L472 V473 L479 Y480 L500 L503	L472-A476 WeakPolarHBondContact O-CB 3.49Å; L472-A476 PolarHBondContact O-N 3.29Å; V473-A476 PolarHBondContact O-N 2.88Å; A476-L479 PolarHBondContact O-N 3.31Å; A476-Y480 PolarHBondContact O-N 2.82Å; A476-Y480 VanDerWaalsContact O-N 3.11Å; A476-L500 HydrophobicContact CB-CB 4.02Å; A476-L500 HydrophobicContact CB-CD1 3.84Å; A476-L503 HydrophobicContact CB-CB 4.14Å; A476-L503 HydrophobicContact CB-CD2 3.76Å
477	C	82.3	Confident	71.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.5	-52.7	178.9	-60.3	0	0	0	0	110.7	H368 I369 V473 I474 L475 L479 T481	H368-C477 HydrophobicContact CB-CB 4.44Å; I369-C477 HydrophobicContact CG1-CB 4.21Å; V473-C477 PolarHBondContact O-N 3.46Å; V473-C477 PolarHBondContact O-SG 2.94Å; I474-C477 PolarHBondContact O-N 3Å; L475-C477 VanDerWaalsContact C-N 3.34Å; L475-C477 PolarHBondContact O-N 2.68Å; C477-L479 PolarHBondContact O-N 3.34Å; C477-T481 PolarHBondContact O-N 3.13Å; C477-T481 PolarHBondContact O-OG1 2.88Å
478	N	79.9	Confident	69.2	Low	29 Å²	29	49.3 Å²	49.3	16%	0.155	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-36.9	-178.1	-77.5	-89.5	0	0	0	113.5	H368 I441 I474 L475	H368-N478 PolarHBondContact ND1-ND2 3.35Å; I441-N478 HydrophobicContact CD1-CB 3.94Å; I441-N478 HydrophobicContact CG1-CB 4.5Å; I441-N478 HydrophobicContact CG2-CB 4.32Å; I474-N478 PolarHBondContact O-N 3.17Å; I474-N478 VanDerWaalsContact O-N 3.07Å; I474-N478 PolarHBondContact O-ND2 3.29Å; L475-N478 PolarHBondContact O-N 3.46Å
479	L	81.4	Confident	67	Low	39 Å²	39	57 Å²	57	20%	0.204	29%	0.287	C	S	.	.	H	α-helix	trans	-86	-25.2	-172.6	-64	173.4	0	0	0	114.7	T433 L438 L475 A476 C477	T433-L479 HydrophobicContact CG2-CD2 3.52Å; L438-L479 HydrophobicContact CD2-CD1 4.23Å; L438-L479 HydrophobicContact CD2-CD2 4.27Å; L475-L479 HydrophobicContact CB-CD1 4.21Å; L475-L479 WeakPolarHBondContact O-CB 3.21Å; L475-L479 WeakPolarHBondContact O-CG 3.46Å; L475-L479 PolarHBondContact O-N 2.6Å; A476-L479 PolarHBondContact O-N 3.31Å; C477-L479 PolarHBondContact O-N 3.34Å
480	Y	76	Confident	65	Low	41 Å²	41	66.2 Å²	66.2	16%	0.161	33%	0.326	C	S	.	.	H	α-helix	trans	-125.7	-5.9	-170	-64.3	-87.5	0	0	0	115.3	A476 S494 C502 L503	A476-Y480 PolarHBondContact O-N 2.82Å; A476-Y480 VanDerWaalsContact O-N 3.11Å; Y480-S494 PolarHBondContact O-OG 3.21Å; Y480-C502 HydrophobicContact CD1-CB 4.42Å; Y480-C502 HydrophobicContact CE1-CB 4.47Å; Y480-C502 VanDerWaalsContact CE1-SG 3.55Å; Y480-L503 HydrophobicContact CD2-CB 4.3Å; Y480-L503 HydrophobicContact CE2-CB 3.76Å; Y480-L503 HydrophobicContact CE2-CD1 3.87Å; Y480-L503 HydrophobicContact CE2-CG 4.39Å
481	T	62.6	Low	63.4	Low	18 Å²	18	69.9 Å²	69.9	11%	0.11	35%	0.345	C	S	.	.	S	Bend	trans	-103.8	-0.5	175.9	79.5	0	0	0	0	113.8	C477 A499	C477-T481 PolarHBondContact O-N 3.13Å; C477-T481 PolarHBondContact O-OG1 2.88Å; T481-A499 HydrophobicContact CG2-CB 3.77Å
482	Q	61.7	Low	61.7	Low	98 Å²	98	75.5 Å²	75.5	46%	0.458	38%	0.38	S	S	.	.	S	Bend	trans	-93.7	137.3	176.6	-60.6	-171.9	5.7	0	0	110.6	E484	Q482-E484 VanDerWaalsContact C-N 3.31Å; Q482-E484 PolarHBondContact O-N 2.98Å
483	E	49.8	Very low	60.2	Low	164 Å²	164	79.9 Å²	79.9	77%	0.766	40%	0.399	S	S	*	.			trans	-80.4	76.1	174.2	-69.7	-167.3	154	0	0	110.6	K493	E483-K493 HydrophobicContact CG-CB 4.28Å
484	E	50.3	Low	59.3	Low	117 Å²	117	80.9 Å²	80.9	55%	0.547	41%	0.406	S	S	.	.			trans	-107.3	132.4	170.3	-66.2	-156.3	149.4	0	0	111.9	Q482 Y486	Q482-E484 VanDerWaalsContact C-N 3.31Å; Q482-E484 PolarHBondContact O-N 2.98Å; E484-Y486 HydrophobicContact CB-CE2 4.45Å; E484-Y486 PolarHBondContact O-N 3.39Å
485	S	34.7	Very low	59.2	Low	117 Å²	117	86.3 Å²	86.3	82%	0.818	43%	0.429	S	S	*	.			trans	-77.9	81.9	-180	56	0	0	0	0	111.1
486	Y	36.3	Very low	59.1	Low	84 Å²	84	86.3 Å²	86.3	33%	0.329	43%	0.43	S	S	.	.			trans	-68.2	142.5	168.1	-84.9	-73.9	0	0	0	111.6	H432 T433 E484 H488	H432-Y486 HydrophobicContact CB-CD1 4.32Å; H432-Y486 HydrophobicContact CB-CE1 3.6Å; H432-Y486 PolarHBondContact O-OH 2.85Å; T433-Y486 WeakPolarHBondContact CG2-OH 3.5Å; E484-Y486 HydrophobicContact CB-CE2 4.45Å; E484-Y486 PolarHBondContact O-N 3.39Å; Y486-H488 PolarHBondContact O-N 3.07Å; Y486-H488 VanDerWaalsContact O-N 3.08Å
487	V	35.3	Very low	59	Low	125 Å²	125	86.8 Å²	86.8	76%	0.758	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	112.9	-177.2	-174.8	0	0	0	0	109.4
488	H	35.6	Very low	59.2	Low	179 Å²	179	90.6 Å²	90.6	83%	0.829	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.5	-9.1	173.6	-59.3	-53.6	0	0	0	120.5	Y486	Y486-H488 PolarHBondContact O-N 3.07Å; Y486-H488 VanDerWaalsContact O-N 3.08Å
489	E	38.8	Very low	59.5	Low	163 Å²	163	89.2 Å²	89.2	76%	0.762	45%	0.446	S	S	*	.			trans	-155	134.1	169	-119.7	159.8	-146.6	0	0	113.5	I491	E489-I491 PolarHBondContact O-N 2.74Å; E489-I491 VanDerWaalsContact O-N 3.16Å
490	K	38.6	Very low	59.9	Low	200 Å²	200	87.4 Å²	87.4	87%	0.87	44%	0.436	S	S	*	.			trans	-76.3	99.4	172	-94.5	-168.6	172.7	-171	0	109.1	T492	K490-T492 PolarHBondContact O-N 2.78Å; K490-T492 VanDerWaalsContact O-N 3.16Å
491	I	47.1	Very low	60.6	Low	84 Å²	84	88.4 Å²	88.4	43%	0.431	44%	0.444	S	S	.	.			trans	-68.5	110	166	-58.2	177.6	0	0	0	107.5	E489	E489-I491 PolarHBondContact O-N 2.74Å; E489-I491 VanDerWaalsContact O-N 3.16Å
492	T	50.8	Low	61.8	Low	121 Å²	121	88.7 Å²	88.7	74%	0.742	45%	0.447	S	S	*	.			trans	-65.4	135.7	168.8	47.1	0	0	0	0	109.3	K490 S494	K490-T492 PolarHBondContact O-N 2.78Å; K490-T492 VanDerWaalsContact O-N 3.16Å; T492-S494 PolarHBondContact O-N 3.48Å
493	K	57.4	Low	63.2	Low	94 Å²	94	84 Å²	84	41%	0.409	43%	0.425	S	S	.	.			trans	-44.3	107.2	-179.1	-171.1	-166.9	177.3	-156.1	0	111	D373 E483	D373-K493 IonicContact OD1-NZ 3.42Å; D373-K493 PolarHBondContact OD1-NZ 3.14Å; D373-K493 IonicContact OD2-NZ 3.28Å; D373-K493 PolarHBondContact OD2-NZ 2.8Å; E483-K493 HydrophobicContact CG-CB 4.28Å
494	S	68.3	Low	65.1	Low	24 Å²	24	76.4 Å²	76.4	17%	0.168	39%	0.389	C	S	.	.			trans	-84.3	152.6	179.5	72.4	0	0	0	0	110.5	Y480 T492	Y480-S494 PolarHBondContact O-OG 3.21Å; T492-S494 PolarHBondContact O-N 3.48Å
495	K	82.3	Confident	67	Low	115 Å²	115	72.9 Å²	72.9	50%	0.5	38%	0.376	S	S	.	.			trans	-72.8	154.7	172	-65.5	-176.1	167.2	-166.1	0	110.5	E378 S497 D498 A499	E378-K495 WeakPolarHBondContact OE1-CB 3.48Å; K495-S497 VanDerWaalsContact C-N 3.26Å; K495-S497 PolarHBondContact O-N 3.33Å; K495-S497 VanDerWaalsContact O-N 3.14Å; K495-D498 PolarHBondContact O-N 3Å; K495-A499 WeakPolarHBondContact O-CB 3.33Å; K495-A499 PolarHBondContact O-N 3.12Å
496	P	84.1	Confident	69.4	Low	1 Å²	1	73.4 Å²	73.4	1%	0.006	37%	0.365	C	S	.	.	H	α-helix	trans	-49.8	-36.6	177.3	-30.5	36.3	0	0	0	115.8	I369 D373 E378 M382 L500	I369-P496 HydrophobicContact CD1-CB 3.83Å; I369-P496 HydrophobicContact CD1-CG 3.9Å; I369-P496 HydrophobicContact CG1-CG 4.28Å; I369-P496 HydrophobicContact CG2-CG 3.95Å; D373-P496 HydrophobicContact CB-CG 3.98Å; E378-P496 HydrophobicContact CG-CB 4.11Å; E378-P496 HydrophobicContact CG-CG 4.03Å; E378-P496 WeakPolarHBondContact OE1-CD 3.11Å; M382-P496 HydrophobicContact CE-CB 3.87Å; M382-P496 HydrophobicContact CG-CB 4.23Å; M382-P496 HydrophobicContact SD-CB 3.5Å; M382-P496 WeakPolarHBondContact SD-CB 3.45Å; P496-L500 WeakPolarHBondContact O-CB 3.39Å; P496-L500 PolarHBondContact O-N 3.01Å
497	S	86.3	Confident	71.8	Confident	10 Å²	10	69.9 Å²	69.9	7%	0.07	35%	0.354	C	S	.	.	H	α-helix	trans	-69.4	-38.6	174.8	69.8	0	0	0	0	112.9	E378 K495 L500 L501	E378-S497 WeakPolarHBondContact OE1-CB 3.37Å; E378-S497 PolarHBondContact OE1-N 3.19Å; E378-S497 PolarHBondContact OE1-OG 3.07Å; K495-S497 VanDerWaalsContact C-N 3.26Å; K495-S497 PolarHBondContact O-N 3.33Å; K495-S497 VanDerWaalsContact O-N 3.14Å; S497-L500 PolarHBondContact O-N 2.84Å; S497-L501 WeakPolarHBondContact O-CB 3.02Å; S497-L501 PolarHBondContact O-N 2.61Å
498	D	86.8	Confident	74.5	Confident	79 Å²	79	64 Å²	64	42%	0.422	32%	0.318	S	S	.	.	H	α-helix	trans	-73.2	-40.5	-179.7	-58.4	-27.8	0	0	0	110.6	K495 L500 L501 C502	K495-D498 PolarHBondContact O-N 3Å; D498-L500 VanDerWaalsContact C-N 3.35Å; D498-L500 PolarHBondContact O-N 3.46Å; D498-L501 PolarHBondContact O-N 2.95Å; D498-C502 WeakPolarHBondContact O-CB 3.41Å; D498-C502 PolarHBondContact O-N 3.03Å
499	A	86.7	Confident	77.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-54.5	-48.1	168.9	0	0	0	0	0	111.8	T481 K495 C502 L503	T481-A499 HydrophobicContact CG2-CB 3.77Å; K495-A499 WeakPolarHBondContact O-CB 3.33Å; K495-A499 PolarHBondContact O-N 3.12Å; A499-C502 WeakPolarHBondContact O-CB 3.45Å; A499-C502 PolarHBondContact O-N 3.37Å; A499-L503 PolarHBondContact O-N 3.26Å
500	L	88.6	Confident	79.4	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-67.3	-42.9	178.8	-177.2	58.2	0	0	0	112.4	M382 V385 I386 V473 A476 P496 S497 D498 C502 L503 I504	M382-L500 HydrophobicContact CB-CD2 4.33Å; M382-L500 HydrophobicContact CE-CD2 4.41Å; V385-L500 HydrophobicContact CB-CD2 4.39Å; V385-L500 HydrophobicContact CG1-CB 4.43Å; V385-L500 HydrophobicContact CG1-CD2 4.11Å; V385-L500 HydrophobicContact CG1-CG 3.92Å; I386-L500 HydrophobicContact CD1-CD2 4.27Å; I386-L500 HydrophobicContact CG1-CD2 3.85Å; V473-L500 HydrophobicContact CG2-CD1 4.05Å; V473-L500 HydrophobicContact CG2-CD2 3.89Å; A476-L500 HydrophobicContact CB-CB 4.02Å; A476-L500 HydrophobicContact CB-CD1 3.84Å; P496-L500 WeakPolarHBondContact O-CB 3.39Å; P496-L500 PolarHBondContact O-N 3.01Å; S497-L500 PolarHBondContact O-N 2.84Å; D498-L500 VanDerWaalsContact C-N 3.35Å; D498-L500 PolarHBondContact O-N 3.46Å; L500-C502 VanDerWaalsContact C-N 3.32Å; L500-C502 PolarHBondContact O-N 3.15Å; L500-L503 PolarHBondContact O-N 3.31Å; L500-I504 HydrophobicContact CD1-CD1 3.83Å; L500-I504 HydrophobicContact CD1-CG1 4.26Å; L500-I504 HydrophobicContact CG-CD1 3.95Å; L500-I504 WeakPolarHBondContact O-CB 3.37Å; L500-I504 VanDerWaalsContact O-CG1 3.3Å; L500-I504 WeakPolarHBondContact O-CG1 2.93Å; L500-I504 PolarHBondContact O-N 2.84Å
501	L	90	Very high	81.7	Confident	63 Å²	63	46.3 Å²	46.3	33%	0.33	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-42.1	174.5	-178.1	63.6	0	0	0	111.1	V385 Y389 S497 D498 I504 T505	V385-L501 HydrophobicContact CG1-CB 4.27Å; V385-L501 HydrophobicContact CG1-CD1 4.41Å; V385-L501 HydrophobicContact CG2-CB 4.41Å; Y389-L501 HydrophobicContact CE2-CD1 3.6Å; S497-L501 WeakPolarHBondContact O-CB 3.02Å; S497-L501 PolarHBondContact O-N 2.61Å; D498-L501 PolarHBondContact O-N 2.95Å; L501-I504 PolarHBondContact O-N 3.39Å; L501-T505 HydrophobicContact CD1-CG2 3.84Å; L501-T505 HydrophobicContact CG-CG2 4.43Å; L501-T505 WeakPolarHBondContact O-CB 3.29Å; L501-T505 WeakPolarHBondContact O-CG2 3.25Å; L501-T505 PolarHBondContact O-N 2.98Å; L501-T505 PolarHBondContact O-OG1 3.47Å
502	C	88.8	Confident	83.4	Confident	24 Å²	24	43 Å²	43	16%	0.162	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-53	176.7	-173.7	0	0	0	0	111.5	Y480 D498 A499 L500 I504 T505 Q506	Y480-C502 HydrophobicContact CD1-CB 4.42Å; Y480-C502 HydrophobicContact CE1-CB 4.47Å; Y480-C502 VanDerWaalsContact CE1-SG 3.55Å; D498-C502 WeakPolarHBondContact O-CB 3.41Å; D498-C502 PolarHBondContact O-N 3.03Å; A499-C502 WeakPolarHBondContact O-CB 3.45Å; A499-C502 PolarHBondContact O-N 3.37Å; L500-C502 VanDerWaalsContact C-N 3.32Å; L500-C502 PolarHBondContact O-N 3.15Å; C502-I504 VanDerWaalsContact C-N 3.33Å; C502-I504 PolarHBondContact O-N 3.44Å; C502-T505 PolarHBondContact O-N 2.58Å; C502-Q506 VanDerWaalsContact O-CB 3.31Å; C502-Q506 WeakPolarHBondContact O-CB 3.33Å; C502-Q506 PolarHBondContact O-N 2.85Å
503	L	90.3	Very high	85.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	I	π-helix	trans	-54	-49.1	176.5	177.1	70.7	0	0	0	111.5	L429 L472 L475 A476 Y480 A499 L500 A507 I508	L429-L503 HydrophobicContact CD1-CD1 4.1Å; L429-L503 HydrophobicContact CD2-CD1 3.43Å; L429-L503 VanDerWaalsContact CD2-CD1 3.43Å; L429-L503 HydrophobicContact CG-CD1 4.44Å; L472-L503 HydrophobicContact CB-CD2 4.39Å; L472-L503 WeakPolarHBondContact O-CD2 3.48Å; L475-L503 HydrophobicContact CB-CD2 4.47Å; A476-L503 HydrophobicContact CB-CB 4.14Å; A476-L503 HydrophobicContact CB-CD2 3.76Å; Y480-L503 HydrophobicContact CD2-CB 4.3Å; Y480-L503 HydrophobicContact CE2-CB 3.76Å; Y480-L503 HydrophobicContact CE2-CD1 3.87Å; Y480-L503 HydrophobicContact CE2-CG 4.39Å; A499-L503 PolarHBondContact O-N 3.26Å; L500-L503 PolarHBondContact O-N 3.31Å; L503-A507 HydrophobicContact CD1-CB 4.34Å; L503-A507 WeakPolarHBondContact O-CB 3.3Å; L503-A507 PolarHBondContact O-N 3.22Å; L503-I508 HydrophobicContact CD1-CD1 4.34Å; L503-I508 HydrophobicContact CD1-CG1 4.46Å; L503-I508 HydrophobicContact CD2-CD1 4.1Å; L503-I508 HydrophobicContact CG-CD1 3.78Å; L503-I508 HydrophobicContact CG-CG1 4.3Å; L503-I508 WeakPolarHBondContact O-CG1 3.46Å; L503-I508 PolarHBondContact O-N 2.84Å
504	I	89.9	Confident	86.4	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.015	22%	0.22	C	C	.	.	I	π-helix	trans	-66.1	-47.7	-177.3	-69.2	170.1	0	0	0	111.3	V385 Y389 L393 L500 L501 C502 I508 L509	V385-I504 HydrophobicContact CG1-CD1 4.1Å; Y389-I504 HydrophobicContact CD1-CG2 3.88Å; Y389-I504 HydrophobicContact CD2-CD1 4.45Å; Y389-I504 HydrophobicContact CD2-CG2 3.88Å; Y389-I504 HydrophobicContact CE1-CG2 4.36Å; Y389-I504 HydrophobicContact CE2-CG2 4.38Å; Y389-I504 HydrophobicContact CG-CG2 3.62Å; L393-I504 HydrophobicContact CD1-CD1 4.44Å; L500-I504 HydrophobicContact CD1-CD1 3.83Å; L500-I504 HydrophobicContact CD1-CG1 4.26Å; L500-I504 HydrophobicContact CG-CD1 3.95Å; L500-I504 WeakPolarHBondContact O-CB 3.37Å; L500-I504 VanDerWaalsContact O-CG1 3.3Å; L500-I504 WeakPolarHBondContact O-CG1 2.93Å; L500-I504 PolarHBondContact O-N 2.84Å; L501-I504 PolarHBondContact O-N 3.39Å; C502-I504 VanDerWaalsContact C-N 3.33Å; C502-I504 PolarHBondContact O-N 3.44Å; I504-I508 HydrophobicContact CG1-CD1 4.44Å; I504-L509 HydrophobicContact CG2-CD1 3.86Å; I504-L509 HydrophobicContact CG2-CG 4.34Å; I504-L509 WeakPolarHBondContact O-CB 3.48Å; I504-L509 WeakPolarHBondContact O-CG 3.42Å; I504-L509 PolarHBondContact O-N 3.1Å
505	T	89.7	Confident	87.4	Confident	44 Å²	44	43.4 Å²	43.4	27%	0.27	23%	0.228	S	C	.	.	I	π-helix	trans	-80.2	-42.9	-172.9	57	0	0	0	0	113.6	Y389 L501 C502 L509 T510	Y389-T505 HydrophobicContact CE1-CG2 4.35Å; Y389-T505 HydrophobicContact CE2-CG2 4.41Å; Y389-T505 WeakPolarHBondContact OH-CG2 3.48Å; L501-T505 HydrophobicContact CD1-CG2 3.84Å; L501-T505 HydrophobicContact CG-CG2 4.43Å; L501-T505 WeakPolarHBondContact O-CB 3.29Å; L501-T505 WeakPolarHBondContact O-CG2 3.25Å; L501-T505 PolarHBondContact O-N 2.98Å; L501-T505 PolarHBondContact O-OG1 3.47Å; C502-T505 PolarHBondContact O-N 2.58Å; T505-L509 HydrophobicContact CG2-CD1 4.48Å; T505-T510 PolarHBondContact O-OG1 3.36Å
506	Q	85.9	Confident	87.5	Confident	127 Å²	127	39.8 Å²	39.8	59%	0.593	22%	0.217	S	C	*	.	I	π-helix	trans	-87.9	-45	-172.3	-56.1	-170.4	8.3	0	0	112.2	C502 T510	C502-Q506 VanDerWaalsContact O-CB 3.31Å; C502-Q506 WeakPolarHBondContact O-CB 3.33Å; C502-Q506 PolarHBondContact O-N 2.85Å; Q506-T510 WeakPolarHBondContact O-CB 3.45Å; Q506-T510 PolarHBondContact O-OG1 3.29Å
507	A	87	Confident	87.5	Confident	11 Å²	11	40.8 Å²	40.8	9%	0.091	23%	0.227	C	C	.	.	I	π-helix	trans	-90.2	-59	-177.7	0	0	0	0	0	112.3	L429 L503 N511	L429-A507 HydrophobicContact CD2-CB 3.62Å; L503-A507 HydrophobicContact CD1-CB 4.34Å; L503-A507 WeakPolarHBondContact O-CB 3.3Å; L503-A507 PolarHBondContact O-N 3.22Å; A507-N511 WeakPolarHBondContact O-CB 3.16Å; A507-N511 PolarHBondContact O-N 3.18Å; A507-N511 PolarHBondContact O-ND2 3.18Å
508	I	91.5	Very high	87.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-71.4	-57.9	-168.3	-62.7	172.4	0	0	0	111.8	M396 F423 L472 L503 I504 T510 N511 S512	M396-I508 HydrophobicContact CE-CG2 3.95Å; M396-I508 HydrophobicContact SD-CG2 3.4Å; M396-I508 WeakPolarHBondContact SD-CG2 3.26Å; F423-I508 HydrophobicContact CE2-CG2 3.98Å; F423-I508 HydrophobicContact CZ-CD1 4.12Å; F423-I508 HydrophobicContact CZ-CG1 4.13Å; F423-I508 HydrophobicContact CZ-CG2 3.98Å; L472-I508 HydrophobicContact CD1-CD1 3.91Å; L472-I508 HydrophobicContact CD2-CD1 3.75Å; L472-I508 HydrophobicContact CG-CD1 4.35Å; L503-I508 HydrophobicContact CD1-CD1 4.34Å; L503-I508 HydrophobicContact CD1-CG1 4.46Å; L503-I508 HydrophobicContact CD2-CD1 4.1Å; L503-I508 HydrophobicContact CG-CD1 3.78Å; L503-I508 HydrophobicContact CG-CG1 4.3Å; L503-I508 WeakPolarHBondContact O-CG1 3.46Å; L503-I508 PolarHBondContact O-N 2.84Å; I504-I508 HydrophobicContact CG1-CD1 4.44Å; I508-T510 VanDerWaalsContact C-N 3.26Å; I508-T510 PolarHBondContact O-N 3.48Å; I508-N511 PolarHBondContact O-N 2.71Å; I508-S512 WeakPolarHBondContact O-CB 3.41Å; I508-S512 PolarHBondContact O-N 3.29Å; I508-S512 PolarHBondContact O-OG 3.03Å
509	L	89.8	Confident	87.7	Confident	68 Å²	68	37.6 Å²	37.6	36%	0.356	21%	0.21	S	C	.	.	H	α-helix	trans	-62.8	-32.3	-177.4	-79.2	165.4	0	0	0	112.9	Y389 P392 M396 I504 T505	Y389-L509 HydrophobicContact CD1-CD1 3.79Å; Y389-L509 HydrophobicContact CE1-CD1 3.66Å; P392-L509 HydrophobicContact CB-CD2 3.88Å; P392-L509 HydrophobicContact CG-CD2 4.46Å; M396-L509 HydrophobicContact CE-CD2 3.45Å; M396-L509 VanDerWaalsContact CE-CD2 3.45Å; M396-L509 HydrophobicContact CE-CG 4.05Å; I504-L509 HydrophobicContact CG2-CD1 3.86Å; I504-L509 HydrophobicContact CG2-CG 4.34Å; I504-L509 WeakPolarHBondContact O-CB 3.48Å; I504-L509 WeakPolarHBondContact O-CG 3.42Å; I504-L509 PolarHBondContact O-N 3.1Å; T505-L509 HydrophobicContact CG2-CD1 4.48Å
510	T	87.4	Confident	87.9	Confident	72 Å²	72	38.1 Å²	38.1	44%	0.442	21%	0.212	S	C	.	.	H	α-helix	trans	-72.3	-35.8	179.7	-53.1	0	0	0	0	113.1	T505 Q506 I508 K514	T505-T510 PolarHBondContact O-OG1 3.36Å; Q506-T510 WeakPolarHBondContact O-CB 3.45Å; Q506-T510 PolarHBondContact O-OG1 3.29Å; I508-T510 VanDerWaalsContact C-N 3.26Å; I508-T510 PolarHBondContact O-N 3.48Å; T510-K514 PolarHBondContact O-NZ 2.64Å
511	N	86.8	Confident	87.7	Confident	32 Å²	32	44.9 Å²	44.9	17%	0.171	24%	0.244	C	C	.	.	H	α-helix	trans	-117.8	-23.6	-166.2	-61	-74.3	0	0	0	115	D426 A507 I508 K514	D426-N511 WeakPolarHBondContact O-CB 3.27Å; A507-N511 WeakPolarHBondContact O-CB 3.16Å; A507-N511 PolarHBondContact O-N 3.18Å; A507-N511 PolarHBondContact O-ND2 3.18Å; I508-N511 PolarHBondContact O-N 2.71Å; N511-K514 WeakPolarHBondContact O-CB 3.25Å
512	S	83.3	Confident	87.5	Confident	14 Å²	14	44.8 Å²	44.8	10%	0.098	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	158.6	-179.5	59.2	0	0	0	0	113.9	M396 I508 K514	M396-S512 VanDerWaalsContact CE-OG 3.29Å; M396-S512 WeakPolarHBondContact CE-OG 3.48Å; I508-S512 WeakPolarHBondContact O-CB 3.41Å; I508-S512 PolarHBondContact O-N 3.29Å; I508-S512 PolarHBondContact O-OG 3.03Å; S512-K514 PolarHBondContact O-N 2.88Å
513	C	85.4	Confident	87.1	Confident	50 Å²	50	46.7 Å²	46.7	34%	0.338	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	16.4	-177.1	-52.8	0	0	0	0	114.7	F399 Y400	F399-C513 HydrophobicContact CD1-CB 4.05Å; F399-C513 HydrophobicContact CD2-CB 4.32Å; F399-C513 HydrophobicContact CE1-CB 3.99Å; F399-C513 HydrophobicContact CE2-CB 4.25Å; F399-C513 HydrophobicContact CG-CB 4.22Å; F399-C513 HydrophobicContact CZ-CB 4.09Å; Y400-C513 WeakPolarHBondContact OH-CA 3.39Å; Y400-C513 PolarHBondContact OH-N 3.17Å
514	K	86.3	Confident	86.7	Confident	132 Å²	132	50.7 Å²	50.7	57%	0.574	28%	0.276	S	S	*	.			trans	-108.5	82.8	172.2	-62.5	171.1	-176.6	168.1	0	108.9	D426 T510 N511 S512 S516	D426-K514 VanDerWaalsContact CG-O 3.31Å; T510-K514 PolarHBondContact O-NZ 2.64Å; N511-K514 WeakPolarHBondContact O-CB 3.25Å; S512-K514 PolarHBondContact O-N 2.88Å; K514-S516 PolarHBondContact O-N 2.87Å; K514-S516 VanDerWaalsContact O-N 3.15Å
515	L	87.6	Confident	86.6	Confident	66 Å²	66	53.7 Å²	53.7	35%	0.346	29%	0.289	S	S	.	.			trans	-52.1	118.6	-174.6	-67.5	172.5	0	0	0	111.9	F399 Y400 L403 Q422 D426	F399-L515 HydrophobicContact CE1-CD2 3.91Å; F399-L515 HydrophobicContact CE1-CG 4.09Å; F399-L515 HydrophobicContact CZ-CD1 4.18Å; F399-L515 HydrophobicContact CZ-CD2 4.33Å; F399-L515 HydrophobicContact CZ-CG 4.03Å; Y400-L515 HydrophobicContact CE1-CD2 4.33Å; L403-L515 HydrophobicContact CD1-CD2 3.64Å; L403-L515 HydrophobicContact CD2-CD1 3.94Å; L403-L515 HydrophobicContact CD2-CD2 3.81Å; L403-L515 HydrophobicContact CG-CD2 4.4Å; Q422-L515 HydrophobicContact CG-CD2 4.47Å; D426-L515 WeakPolarHBondContact OD2-CA 3.44Å
516	S	85.5	Confident	86.5	Confident	39 Å²	39	51.7 Å²	51.7	27%	0.273	28%	0.277	S	S	.	.			trans	-111	168.8	176.1	71.4	0	0	0	0	111	Q422 D426 K514	Q422-S516 PolarHBondContact NE2-O 3.15Å; D426-S516 WeakPolarHBondContact OD1-CB 3.4Å; D426-S516 PolarHBondContact OD1-N 3.33Å; D426-S516 PolarHBondContact OD1-OG 3.35Å; K514-S516 PolarHBondContact O-N 2.87Å; K514-S516 VanDerWaalsContact O-N 3.15Å
517	G	84.1	Confident	86.4	Confident	21 Å²	21	47.3 Å²	47.3	22%	0.216	26%	0.256	C	S	.	.	S	Bend	trans	72	-174.6	-178.6	0	0	0	0	0	113.4	Q521 E615	G517-Q521 VanDerWaalsContact O-CG 3.24Å; G517-Q521 WeakPolarHBondContact O-CG 3.44Å; G517-Q521 PolarHBondContact O-NE2 2.86Å; G517-E615 WeakPolarHBondContact CA-OE1 3.26Å
518	V	87.3	Confident	86.4	Confident	23 Å²	23	47.5 Å²	47.5	14%	0.139	26%	0.255	C	S	.	.	S	Bend	trans	-99.5	-20	-170.9	-64.2	0	0	0	0	114.6	Y520 E615 I618 H619 L622	V518-Y520 PolarHBondContact O-N 2.66Å; V518-E615 HydrophobicContact CG2-CG 3.83Å; V518-E615 PolarHBondContact N-OE1 3.3Å; V518-I618 HydrophobicContact CG2-CB 4.18Å; V518-I618 HydrophobicContact CG2-CG2 3.82Å; V518-H619 HydrophobicContact CG2-CB 4.44Å; V518-L622 HydrophobicContact CB-CD1 3.85Å; V518-L622 HydrophobicContact CG1-CD1 3.67Å; V518-L622 HydrophobicContact CG2-CD1 4.36Å
519	L	91	Very high	86.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-32.6	-166.5	-60.3	178.3	0	0	0	114.5	S526 I529 F611 F614 E615 I618	L519-S526 PolarHBondContact O-OG 3.36Å; L519-S526 VanDerWaalsContact O-OG 3.1Å; L519-I529 HydrophobicContact CD2-CG2 3.99Å; L519-F611 HydrophobicContact CD1-CD2 4.47Å; L519-F611 HydrophobicContact CD1-CE2 3.69Å; L519-F611 HydrophobicContact CD1-CZ 3.75Å; L519-F614 HydrophobicContact CD1-CD1 3.99Å; L519-F614 HydrophobicContact CD1-CE1 4.19Å; L519-F614 HydrophobicContact CD2-CD1 3.86Å; L519-F614 HydrophobicContact CD2-CE1 3.74Å; L519-E615 HydrophobicContact CD1-CB 4.32Å; L519-E615 HydrophobicContact CD1-CG 4.43Å; L519-E615 HydrophobicContact CD2-CB 4.49Å; L519-E615 HydrophobicContact CD2-CG 4.4Å; L519-E615 HydrophobicContact CG-CB 4.41Å; L519-E615 HydrophobicContact CG-CG 4.11Å; L519-I618 HydrophobicContact CD2-CB 4.21Å; L519-I618 HydrophobicContact CD2-CG1 3.83Å; L519-I618 HydrophobicContact CD2-CG2 4.47Å
520	Y	90.4	Very high	86.3	Confident	10 Å²	10	46.2 Å²	46.2	4%	0.039	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	16.2	-168.5	-59.5	-72.7	0	0	0	114.7	L403 Q422 V518 D522 S526 H530	L403-Y520 HydrophobicContact CB-CD1 3.52Å; L403-Y520 HydrophobicContact CB-CE1 3.59Å; L403-Y520 HydrophobicContact CB-CG 4.04Å; L403-Y520 HydrophobicContact CD1-CD2 4.27Å; L403-Y520 HydrophobicContact CD1-CG 4.21Å; L403-Y520 HydrophobicContact CG-CD1 4.48Å; Q422-Y520 HydrophobicContact CB-CD2 4.17Å; Q422-Y520 HydrophobicContact CB-CE2 3.85Å; Q422-Y520 HydrophobicContact CG-CD2 3.63Å; Q422-Y520 HydrophobicContact CG-CE2 3.86Å; Q422-Y520 VanDerWaalsContact OE1-CD2 3.31Å; V518-Y520 PolarHBondContact O-N 2.66Å; Y520-D522 VanDerWaalsContact C-N 3.33Å; Y520-D522 PolarHBondContact O-N 3.2Å; Y520-S526 WeakPolarHBondContact CA-OG 3.34Å; Y520-H530 AromaticContact CE1-CE1 3.25Å; Y520-H530 WeakPolarHBondContact CE1-CE1 3.39Å; Y520-H530 AromaticContact CE1-NE2 3.58Å; Y520-H530 AromaticContact CZ-CE1 3.65Å; Y520-H530 AromaticContact CZ-NE2 3.77Å; Y520-H530 PolarHBondContact OH-CE1 3.44Å; Y520-H530 PolarHBondContact OH-NE2 2.89Å
521	Q	84	Confident	86.4	Confident	144 Å²	144	47.6 Å²	47.6	67%	0.673	25%	0.251	S	S	*	.	S	Bend	trans	-68.5	-32.2	179.2	-62.5	-171.7	-2.7	0	0	113.1	G517	G517-Q521 VanDerWaalsContact O-CG 3.24Å; G517-Q521 WeakPolarHBondContact O-CG 3.44Å; G517-Q521 PolarHBondContact O-NE2 2.86Å
522	D	85.1	Confident	86.7	Confident	60 Å²	60	46.6 Å²	46.6	32%	0.321	25%	0.245	S	C	.	.	S	Bend	trans	-132.8	126.8	-174.4	173.6	-31.2	0	0	0	108.3	Y520 E524 K525 S526	Y520-D522 VanDerWaalsContact C-N 3.33Å; Y520-D522 PolarHBondContact O-N 3.2Å; D522-E524 PolarHBondContact OD1-N 3.45Å; D522-K525 HydrophobicContact CB-CB 3.92Å; D522-K525 HydrophobicContact CB-CD 3.92Å; D522-K525 HydrophobicContact CB-CG 4.05Å; D522-K525 PolarHBondContact OD1-N 3.02Å; D522-K525 VanDerWaalsContact OD1-N 3.17Å; D522-K525 VanDerWaalsContact OD2-CD 3.31Å; D522-K525 WeakPolarHBondContact OD2-CD 3.39Å; D522-K525 WeakPolarHBondContact OD2-CE 3.4Å; D522-K525 IonicContact OD2-NZ 2.77Å; D522-S526 WeakPolarHBondContact O-CB 3.49Å; D522-S526 PolarHBondContact O-N 3.2Å; D522-S526 PolarHBondContact O-OG 3.15Å
523	S	81.7	Confident	87.1	Confident	64 Å²	64	46 Å²	46	45%	0.448	24%	0.241	S	C	.	.	H	α-helix	trans	-67.8	-38.1	-172.4	-167.6	0	0	0	0	112.9	K527	S523-K527 WeakPolarHBondContact O-CD 3.45Å; S523-K527 WeakPolarHBondContact O-CE 3.45Å; S523-K527 WeakPolarHBondContact O-CG 3.34Å; S523-K527 PolarHBondContact O-N 3.5Å; S523-K527 PolarHBondContact O-NZ 3.17Å; S523-K527 WeakPolarHBondContact OG-CE 3.19Å; S523-K527 PolarHBondContact OG-NZ 3.27Å
524	E	81	Confident	87.4	Confident	85 Å²	85	47 Å²	47	40%	0.397	24%	0.241	S	C	.	.	H	α-helix	trans	-72	-46.1	178.9	-66.9	-52.1	118.2	0	0	110.1	K406 D522 S526 K527 E528	K406-E524 VanDerWaalsContact CE-OE1 3.29Å; K406-E524 WeakPolarHBondContact CE-OE1 3.35Å; K406-E524 WeakPolarHBondContact CE-OE2 3.24Å; K406-E524 IonicContact NZ-OE1 2.81Å; K406-E524 IonicContact NZ-OE2 2.69Å; K406-E524 PolarHBondContact NZ-OE2 2.99Å; D522-E524 PolarHBondContact OD1-N 3.45Å; E524-S526 VanDerWaalsContact C-N 3.28Å; E524-S526 PolarHBondContact O-N 3.26Å; E524-K527 WeakPolarHBondContact O-CB 3.47Å; E524-K527 PolarHBondContact O-N 2.86Å; E524-K527 IonicContact OE1-NZ 3.87Å; E524-K527 PolarHBondContact OE1-NZ 3.45Å; E524-E528 PolarHBondContact O-N 3.35Å
525	K	87.4	Confident	87.8	Confident	65 Å²	65	43.4 Å²	43.4	28%	0.283	23%	0.231	S	C	.	.	H	α-helix	trans	-57.8	-39.7	174.6	-66.5	-177.5	-179.6	156.3	0	112.5	D522 K527 E528 I529 W736	D522-K525 HydrophobicContact CB-CB 3.92Å; D522-K525 HydrophobicContact CB-CD 3.92Å; D522-K525 HydrophobicContact CB-CG 4.05Å; D522-K525 PolarHBondContact OD1-N 3.02Å; D522-K525 VanDerWaalsContact OD1-N 3.17Å; D522-K525 VanDerWaalsContact OD2-CD 3.31Å; D522-K525 WeakPolarHBondContact OD2-CD 3.39Å; D522-K525 WeakPolarHBondContact OD2-CE 3.4Å; D522-K525 IonicContact OD2-NZ 2.77Å; K525-K527 VanDerWaalsContact C-N 3.26Å; K525-K527 PolarHBondContact O-N 2.61Å; K525-E528 PolarHBondContact O-N 2.95Å; K525-I529 VanDerWaalsContact O-CG1 3.26Å; K525-I529 WeakPolarHBondContact O-CG1 3.29Å; K525-I529 PolarHBondContact O-N 3.35Å; K525-W736 VanDerWaalsContact CA-CH2 3.49Å; K525-W736 HydrophobicContact CB-CE3 4.45Å; K525-W736 HydrophobicContact CB-CH2 3.34Å; K525-W736 HydrophobicContact CB-CZ2 3.65Å; K525-W736 HydrophobicContact CB-CZ3 3.8Å; K525-W736 HydrophobicContact CD-CD2 3.94Å; K525-W736 HydrophobicContact CD-CE3 4.32Å; K525-W736 HydrophobicContact CD-CG 4.44Å; K525-W736 HydrophobicContact CD-CH2 4.25Å; K525-W736 HydrophobicContact CD-CZ2 3.86Å; K525-W736 HydrophobicContact CD-CZ3 4.47Å; K525-W736 HydrophobicContact CG-CD2 3.96Å; K525-W736 HydrophobicContact CG-CE3 3.81Å; K525-W736 HydrophobicContact CG-CH2 3.61Å; K525-W736 HydrophobicContact CG-CZ2 3.75Å; K525-W736 HydrophobicContact CG-CZ3 3.64Å; K525-W736 WeakPolarHBondContact O-CH2 3.42Å
526	S	88.2	Confident	88.2	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-55.4	-41.4	175.5	-58.3	0	0	0	0	112.2	L519 Y520 D522 E524 I529 H530	L519-S526 PolarHBondContact O-OG 3.36Å; L519-S526 VanDerWaalsContact O-OG 3.1Å; Y520-S526 WeakPolarHBondContact CA-OG 3.34Å; D522-S526 WeakPolarHBondContact O-CB 3.49Å; D522-S526 PolarHBondContact O-N 3.2Å; D522-S526 PolarHBondContact O-OG 3.15Å; E524-S526 VanDerWaalsContact C-N 3.28Å; E524-S526 PolarHBondContact O-N 3.26Å; S526-I529 WeakPolarHBondContact O-CB 3.45Å; S526-I529 PolarHBondContact O-N 3.19Å; S526-H530 PolarHBondContact O-N 3.16Å; S526-H530 PolarHBondContact O-ND1 2.95Å
527	K	83.7	Confident	88.6	Confident	35 Å²	35	38.5 Å²	38.5	15%	0.152	20%	0.202	C	C	.	.	H	α-helix	trans	-69.4	-44	-174.9	-66.9	148	-161.3	166.1	0	110.8	G404 K406 S523 E524 K525 I529 H530 L531	G404-K527 VanDerWaalsContact O-CG 3.3Å; G404-K527 WeakPolarHBondContact O-CG 3.36Å; K406-K527 HydrophobicContact CD-CD 3.89Å; K406-K527 HydrophobicContact CG-CD 3.73Å; S523-K527 WeakPolarHBondContact O-CD 3.45Å; S523-K527 WeakPolarHBondContact O-CE 3.45Å; S523-K527 WeakPolarHBondContact O-CG 3.34Å; S523-K527 PolarHBondContact O-N 3.5Å; S523-K527 PolarHBondContact O-NZ 3.17Å; S523-K527 WeakPolarHBondContact OG-CE 3.19Å; S523-K527 PolarHBondContact OG-NZ 3.27Å; E524-K527 WeakPolarHBondContact O-CB 3.47Å; E524-K527 PolarHBondContact O-N 2.86Å; E524-K527 IonicContact OE1-NZ 3.87Å; E524-K527 PolarHBondContact OE1-NZ 3.45Å; K525-K527 VanDerWaalsContact C-N 3.26Å; K525-K527 PolarHBondContact O-N 2.61Å; K527-I529 VanDerWaalsContact C-N 3.35Å; K527-I529 PolarHBondContact O-N 3.01Å; K527-H530 PolarHBondContact O-N 3.48Å; K527-H530 VanDerWaalsContact O-N 3.13Å; K527-L531 PolarHBondContact O-N 2.94Å
528	E	86.2	Confident	88.9	Confident	14 Å²	14	41.8 Å²	41.8	7%	0.065	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-44.3	172.8	-178.6	58.4	-150.1	0	0	111.6	E524 K525 H530 L531 F532 W736 E737 M740 R741	E524-E528 PolarHBondContact O-N 3.35Å; K525-E528 PolarHBondContact O-N 2.95Å; E528-H530 VanDerWaalsContact C-N 3.29Å; E528-H530 PolarHBondContact O-N 3.28Å; E528-L531 WeakPolarHBondContact O-CB 3.46Å; E528-L531 PolarHBondContact O-N 2.72Å; E528-L531 WeakPolarHBondContact OE2-CD1 3.49Å; E528-F532 WeakPolarHBondContact O-CD2 3.46Å; E528-W736 HydrophobicContact CB-CH2 4.27Å; E528-W736 HydrophobicContact CB-CZ3 3.82Å; E528-W736 HydrophobicContact CG-CH2 4.35Å; E528-W736 HydrophobicContact CG-CZ3 3.77Å; E528-E737 HydrophobicContact CG-CG 4.19Å; E528-M740 HydrophobicContact CB-CE 4.47Å; E528-M740 HydrophobicContact CG-CE 3.83Å; E528-R741 WeakPolarHBondContact OE1-CG 3.21Å; E528-R741 IonicContact OE1-CZ 2.64Å; E528-R741 IonicContact OE1-NE 3.69Å; E528-R741 PolarHBondContact OE1-NE 2.85Å; E528-R741 IonicContact OE1-NH1 2.73Å; E528-R741 IonicContact OE1-NH2 3.1Å; E528-R741 PolarHBondContact OE1-NH2 3.21Å; E528-R741 IonicContact OE2-CZ 3.61Å; E528-R741 IonicContact OE2-NE 3.1Å; E528-R741 IonicContact OE2-NH2 3.67Å; E528-R741 PolarHBondContact OE2-NH2 3Å
529	I	90.8	Very high	89.2	Confident	3 Å²	3	41 Å²	41	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-56.7	-41.4	173.1	-70.4	166.4	0	0	0	111.4	L519 K525 S526 K527 L531 F532 F614 I618 W736 M740	L519-I529 HydrophobicContact CD2-CG2 3.99Å; K525-I529 VanDerWaalsContact O-CG1 3.26Å; K525-I529 WeakPolarHBondContact O-CG1 3.29Å; K525-I529 PolarHBondContact O-N 3.35Å; S526-I529 WeakPolarHBondContact O-CB 3.45Å; S526-I529 PolarHBondContact O-N 3.19Å; K527-I529 VanDerWaalsContact C-N 3.35Å; K527-I529 PolarHBondContact O-N 3.01Å; I529-L531 VanDerWaalsContact C-N 3.3Å; I529-L531 PolarHBondContact O-N 2.8Å; I529-F532 PolarHBondContact O-N 2.83Å; I529-F532 VanDerWaalsContact O-N 3.15Å; I529-F614 HydrophobicContact CG2-CE1 3.7Å; I529-F614 HydrophobicContact CG2-CE2 4.44Å; I529-F614 HydrophobicContact CG2-CZ 3.42Å; I529-F614 VanDerWaalsContact CG2-CZ 3.42Å; I529-I618 HydrophobicContact CD1-CG2 3.86Å; I529-I618 HydrophobicContact CG1-CD1 4.17Å; I529-I618 HydrophobicContact CG1-CG1 4.42Å; I529-I618 HydrophobicContact CG1-CG2 4.28Å; I529-I618 HydrophobicContact CG2-CD1 4.16Å; I529-I618 HydrophobicContact CG2-CG1 4.1Å; I529-W736 HydrophobicContact CD1-CH2 4.34Å; I529-W736 HydrophobicContact CD1-CZ2 4.37Å; I529-W736 HydrophobicContact CG1-CH2 4.06Å; I529-W736 HydrophobicContact CG1-CZ2 4.42Å; I529-M740 HydrophobicContact CG1-CE 3.64Å; I529-M740 HydrophobicContact CG1-SD 4.15Å
530	H	88.5	Confident	89.3	Confident	39 Å²	39	41 Å²	41	18%	0.181	21%	0.207	C	C	.	.	H	α-helix	trans	-69.9	-22.9	-176.4	-77.2	58.6	0	0	0	113.6	Y520 S526 K527 E528 F532 L533	Y520-H530 AromaticContact CE1-CE1 3.25Å; Y520-H530 WeakPolarHBondContact CE1-CE1 3.39Å; Y520-H530 AromaticContact CE1-NE2 3.58Å; Y520-H530 AromaticContact CZ-CE1 3.65Å; Y520-H530 AromaticContact CZ-NE2 3.77Å; Y520-H530 PolarHBondContact OH-CE1 3.44Å; Y520-H530 PolarHBondContact OH-NE2 2.89Å; S526-H530 PolarHBondContact O-N 3.16Å; S526-H530 PolarHBondContact O-ND1 2.95Å; K527-H530 PolarHBondContact O-N 3.48Å; K527-H530 VanDerWaalsContact O-N 3.13Å; E528-H530 VanDerWaalsContact C-N 3.29Å; E528-H530 PolarHBondContact O-N 3.28Å; H530-F532 PolarHBondContact O-N 2.84Å; H530-L533 VanDerWaalsContact O-CB 3.29Å; H530-L533 WeakPolarHBondContact O-CB 3.22Å; H530-L533 PolarHBondContact O-N 2.94Å; H530-L533 VanDerWaalsContact O-N 3.1Å
531	L	89.7	Confident	89.3	Confident	101 Å²	101	41.3 Å²	41.3	53%	0.529	21%	0.209	S	C	.	.	H	α-helix	trans	-59.1	-26.9	171.6	-60.3	179.6	0	0	0	112.4	K527 E528 I529 R741	K527-L531 PolarHBondContact O-N 2.94Å; E528-L531 WeakPolarHBondContact O-CB 3.46Å; E528-L531 PolarHBondContact O-N 2.72Å; E528-L531 WeakPolarHBondContact OE2-CD1 3.49Å; I529-L531 VanDerWaalsContact C-N 3.3Å; I529-L531 PolarHBondContact O-N 2.8Å; L531-R741 VanDerWaalsContact CD1-NH2 3.26Å
532	F	93.4	Very high	89.6	Confident	10 Å²	10	35.6 Å²	35.6	4%	0.044	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-6.3	179.3	-67.2	-81.6	0	0	0	114.2	E528 I529 H530 L536 R741 L744 N745 L748	E528-F532 WeakPolarHBondContact O-CD2 3.46Å; I529-F532 PolarHBondContact O-N 2.83Å; I529-F532 VanDerWaalsContact O-N 3.15Å; H530-F532 PolarHBondContact O-N 2.84Å; F532-L536 HydrophobicContact CB-CD1 3.84Å; F532-L536 HydrophobicContact CB-CG 4.38Å; F532-L536 VanDerWaalsContact O-CB 3.24Å; F532-L536 WeakPolarHBondContact O-CB 3.3Å; F532-L536 VanDerWaalsContact O-CG 3.31Å; F532-L536 WeakPolarHBondContact O-CG 3.45Å; F532-L536 PolarHBondContact O-N 3.22Å; F532-R741 HydrophobicContact CE2-CG 4.11Å; F532-R741 HydrophobicContact CZ-CB 4.29Å; F532-R741 HydrophobicContact CZ-CG 3.92Å; F532-L744 HydrophobicContact CB-CD1 4.01Å; F532-L744 HydrophobicContact CD1-CB 3.7Å; F532-L744 HydrophobicContact CD1-CD1 3.97Å; F532-L744 HydrophobicContact CD1-CG 4.49Å; F532-L744 HydrophobicContact CD2-CD1 3.66Å; F532-L744 HydrophobicContact CE1-CB 3.73Å; F532-L744 HydrophobicContact CE1-CD1 4.39Å; F532-L744 HydrophobicContact CE2-CD1 4.12Å; F532-L744 HydrophobicContact CG-CB 4.22Å; F532-L744 HydrophobicContact CG-CD1 3.58Å; F532-L744 HydrophobicContact CZ-CB 4.28Å; F532-L744 HydrophobicContact CZ-CD1 4.47Å; F532-N745 WeakPolarHBondContact CE1-OD1 3.43Å; F532-L748 HydrophobicContact CD1-CD1 4.04Å; F532-L748 HydrophobicContact CE1-CD1 4.39Å
533	L	92.3	Very high	89.8	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-59.2	-54.9	-173.4	-174.9	69.8	0	0	0	111.9	V418 P459 E460 H530 Y537 F610 F614	V418-L533 HydrophobicContact CB-CD1 4.44Å; V418-L533 HydrophobicContact CG1-CD2 4.03Å; V418-L533 HydrophobicContact CG2-CD1 3.96Å; P459-L533 HydrophobicContact CB-CD1 3.99Å; P459-L533 HydrophobicContact CB-CD2 4.27Å; P459-L533 HydrophobicContact CB-CG 4.18Å; P459-L533 HydrophobicContact CG-CD1 4.3Å; P459-L533 HydrophobicContact CG-CG 4.15Å; E460-L533 HydrophobicContact CG-CD2 4.07Å; H530-L533 VanDerWaalsContact O-CB 3.29Å; H530-L533 WeakPolarHBondContact O-CB 3.22Å; H530-L533 PolarHBondContact O-N 2.94Å; H530-L533 VanDerWaalsContact O-N 3.1Å; L533-Y537 WeakPolarHBondContact O-CB 3.35Å; L533-Y537 PolarHBondContact O-N 2.82Å; L533-F610 HydrophobicContact CD1-CE1 3.8Å; L533-F610 HydrophobicContact CD1-CZ 4.09Å; L533-F614 HydrophobicContact CB-CZ 4.28Å; L533-F614 HydrophobicContact CD1-CD1 4.19Å; L533-F614 HydrophobicContact CD1-CE1 3.77Å; L533-F614 HydrophobicContact CD1-CE2 4.15Å; L533-F614 HydrophobicContact CD1-CZ 3.74Å
534	Q	91.2	Very high	90.1	Very high	70 Å²	70	30.7 Å²	30.7	33%	0.327	15%	0.151	S	C	.	.	H	α-helix	trans	-71.5	-44	-177.2	-178.1	66.5	-19.8	0	0	113.1	L536 Y537 Q538	Q534-L536 PolarHBondContact O-N 3.29Å; Q534-Y537 PolarHBondContact O-N 3.36Å; Q534-Q538 WeakPolarHBondContact O-CG 3.42Å; Q534-Q538 PolarHBondContact O-N 3.35Å; Q534-Q538 VanDerWaalsContact O-N 3.11Å
535	P	94.5	Very high	90.1	Very high	57 Å²	57	31.9 Å²	31.9	37%	0.37	15%	0.152	S	C	.	.	H	α-helix	trans	-56.5	-44.1	171.9	-28	35.7	0	0	0	113.7	Q538 A539 L748	P535-Q538 PolarHBondContact O-N 3.19Å; P535-A539 WeakPolarHBondContact O-CB 3.48Å; P535-A539 PolarHBondContact O-N 3.36Å; P535-L748 HydrophobicContact CB-CD1 3.8Å; P535-L748 HydrophobicContact CB-CD2 3.93Å
536	L	95.6	Very high	89.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-72.6	-29.2	179.3	-70.3	170.8	0	0	0	112.7	F532 Q534 Y540 F610 F614 L617 L744 F747 L748	F532-L536 HydrophobicContact CB-CD1 3.84Å; F532-L536 HydrophobicContact CB-CG 4.38Å; F532-L536 VanDerWaalsContact O-CB 3.24Å; F532-L536 WeakPolarHBondContact O-CB 3.3Å; F532-L536 VanDerWaalsContact O-CG 3.31Å; F532-L536 WeakPolarHBondContact O-CG 3.45Å; F532-L536 PolarHBondContact O-N 3.22Å; Q534-L536 PolarHBondContact O-N 3.29Å; L536-Y540 VanDerWaalsContact O-CB 3.25Å; L536-Y540 WeakPolarHBondContact O-CB 3.48Å; L536-Y540 PolarHBondContact O-N 2.99Å; L536-F610 HydrophobicContact CB-CE2 4.24Å; L536-F614 HydrophobicContact CB-CD2 4.33Å; L536-F614 HydrophobicContact CD1-CD2 3.79Å; L536-F614 HydrophobicContact CD1-CE2 3.84Å; L536-L617 HydrophobicContact CD1-CD1 4.25Å; L536-L617 HydrophobicContact CD2-CD1 3.9Å; L536-L744 HydrophobicContact CD1-CD2 4.16Å; L536-F747 HydrophobicContact CD2-CD1 3.62Å; L536-F747 HydrophobicContact CD2-CE1 3.87Å; L536-L748 HydrophobicContact CD2-CD2 3.77Å; L536-L748 HydrophobicContact CD2-CG 4.06Å; L536-L748 HydrophobicContact CG-CD2 4.27Å
537	Y	93.9	Very high	88.9	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-46.7	171.8	172.4	-116.2	0	0	0	111.8	D450 V456 N458 P459 L533 Q534 A539 Y540 K541 F610	D450-Y537 PolarHBondContact OD2-OH 3.25Å; V456-Y537 HydrophobicContact CB-CE2 4.31Å; V456-Y537 HydrophobicContact CG1-CD2 4.45Å; V456-Y537 HydrophobicContact CG1-CE2 3.81Å; V456-Y537 PolarHBondContact O-OH 3.39Å; N458-Y537 WeakPolarHBondContact CA-OH 3.38Å; N458-Y537 HydrophobicContact CB-CE1 4.24Å; P459-Y537 VanDerWaalsContact CD-CE2 3.5Å; P459-Y537 HydrophobicContact CG-CD1 4.47Å; P459-Y537 HydrophobicContact CG-CD2 3.99Å; P459-Y537 HydrophobicContact CG-CG 3.89Å; L533-Y537 WeakPolarHBondContact O-CB 3.35Å; L533-Y537 PolarHBondContact O-N 2.82Å; Q534-Y537 PolarHBondContact O-N 3.36Å; Y537-A539 PolarHBondContact O-N 3.27Å; Y537-Y540 PolarHBondContact O-N 3.01Å; Y537-K541 HydrophobicContact CE1-CD 3.85Å; Y537-K541 HydrophobicContact CE2-CD 4.14Å; Y537-K541 HydrophobicContact CE2-CG 4.03Å; Y537-K541 PolarHBondContact O-N 3.29Å; Y537-F610 VanDerWaalsContact CA-CE2 3.43Å; Y537-F610 HydrophobicContact CD2-CD1 4.33Å; Y537-F610 HydrophobicContact CD2-CD2 4.36Å; Y537-F610 HydrophobicContact CD2-CG 4.18Å
538	Q	91.9	Very high	88.1	Confident	90 Å²	90	35.3 Å²	35.3	42%	0.421	17%	0.165	S	C	.	.	H	α-helix	trans	-63.8	-42.8	176.4	-61.4	-58.4	-19	0	0	111.5	Q534 P535 Y540 K541 F542	Q534-Q538 WeakPolarHBondContact O-CG 3.42Å; Q534-Q538 PolarHBondContact O-N 3.35Å; Q534-Q538 VanDerWaalsContact O-N 3.11Å; P535-Q538 PolarHBondContact O-N 3.19Å; Q538-Y540 VanDerWaalsContact C-N 3.33Å; Q538-Y540 PolarHBondContact O-N 3.13Å; Q538-K541 PolarHBondContact O-N 2.94Å; Q538-F542 WeakPolarHBondContact O-CB 3.36Å; Q538-F542 PolarHBondContact O-N 3.11Å
539	A	93.1	Very high	86.8	Confident	6 Å²	6	39 Å²	39	5%	0.05	18%	0.181	C	C	.	.	H	α-helix	trans	-58.2	-44	173.4	0	0	0	0	0	112.3	P535 Y537 F542 L543 F747 L748 V751	P535-A539 WeakPolarHBondContact O-CB 3.48Å; P535-A539 PolarHBondContact O-N 3.36Å; Y537-A539 PolarHBondContact O-N 3.27Å; A539-F542 PolarHBondContact O-N 3.17Å; A539-L543 WeakPolarHBondContact O-CB 3.49Å; A539-L543 WeakPolarHBondContact O-CD1 3.46Å; A539-L543 WeakPolarHBondContact O-CG 3.42Å; A539-L543 PolarHBondContact O-N 2.81Å; A539-F747 HydrophobicContact CB-CE1 4.32Å; A539-L748 HydrophobicContact CB-CD2 4.02Å; A539-V751 HydrophobicContact CB-CB 4.33Å; A539-V751 HydrophobicContact CB-CG1 3.9Å; A539-V751 HydrophobicContact CB-CG2 4.15Å
540	Y	93.5	Very high	85	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-48.6	177.1	180	-84.3	0	0	0	112.3	V456 L536 Y537 Q538 F542 L543 V544 T560 M561 L608 T609 F610 F613	V456-Y540 HydrophobicContact CG1-CD1 3.88Å; V456-Y540 HydrophobicContact CG1-CE1 3.66Å; V456-Y540 HydrophobicContact CG2-CD1 4.32Å; V456-Y540 HydrophobicContact CG2-CE1 3.98Å; L536-Y540 VanDerWaalsContact O-CB 3.25Å; L536-Y540 WeakPolarHBondContact O-CB 3.48Å; L536-Y540 PolarHBondContact O-N 2.99Å; Y537-Y540 PolarHBondContact O-N 3.01Å; Q538-Y540 VanDerWaalsContact C-N 3.33Å; Q538-Y540 PolarHBondContact O-N 3.13Å; Y540-F542 VanDerWaalsContact C-N 3.26Å; Y540-F542 PolarHBondContact O-N 3.39Å; Y540-L543 PolarHBondContact O-N 3.05Å; Y540-V544 HydrophobicContact CD1-CG2 4.14Å; Y540-V544 HydrophobicContact CE1-CG2 3.74Å; Y540-V544 HydrophobicContact CE2-CG2 4.47Å; Y540-V544 WeakPolarHBondContact O-CG2 3.29Å; Y540-V544 PolarHBondContact O-N 3.49Å; Y540-T560 VanDerWaalsContact OH-CA 3.31Å; Y540-T560 WeakPolarHBondContact OH-CA 3.18Å; Y540-M561 HydrophobicContact CD2-CE 3.51Å; Y540-M561 HydrophobicContact CD2-SD 4.47Å; Y540-M561 HydrophobicContact CE2-CE 3.61Å; Y540-M561 HydrophobicContact CE2-CG 3.91Å; Y540-M561 HydrophobicContact CE2-SD 4.19Å; Y540-M561 HydrophobicContact CG-CE 4.4Å; Y540-M561 PolarHBondContact OH-N 3.36Å; Y540-L608 PolarHBondContact OH-O 2.94Å; Y540-T609 VanDerWaalsContact OH-C 3.26Å; Y540-F610 HydrophobicContact CD1-CB 4.02Å; Y540-F610 HydrophobicContact CD1-CD2 4.19Å; Y540-F610 HydrophobicContact CD2-CD2 4.1Å; Y540-F610 HydrophobicContact CE1-CB 4Å; Y540-F610 HydrophobicContact CE2-CB 4.46Å; Y540-F610 HydrophobicContact CG-CB 4.28Å; Y540-F610 AromaticContact CG-CD2 3.75Å; Y540-F610 HydrophobicContact CG-CD2 3.75Å; Y540-F610 HydrophobicContact CG-CG 4.5Å; Y540-F610 PolarHBondContact OH-N 3.38Å; Y540-F613 HydrophobicContact CD2-CB 3.85Å; Y540-F613 AromaticContact CD2-CD1 3.44Å; Y540-F613 HydrophobicContact CD2-CD1 3.44Å; Y540-F613 VanDerWaalsContact CD2-CD1 3.44Å; Y540-F613 HydrophobicContact CD2-CD2 4.02Å; Y540-F613 AromaticContact CD2-CE1 3.88Å; Y540-F613 HydrophobicContact CD2-CE1 3.88Å; Y540-F613 HydrophobicContact CD2-CE2 4.4Å; Y540-F613 AromaticContact CD2-CG 3.51Å; Y540-F613 HydrophobicContact CD2-CG 3.51Å; Y540-F613 HydrophobicContact CD2-CZ 4.32Å; Y540-F613 HydrophobicContact CE2-CB 3.7Å; Y540-F613 HydrophobicContact CE2-CD1 4.2Å; Y540-F613 HydrophobicContact CE2-CD2 4.42Å; Y540-F613 AromaticContact CE2-CG 3.88Å; Y540-F613 HydrophobicContact CE2-CG 3.88Å; Y540-F613 HydrophobicContact CG-CD1 4.25Å; Y540-F613 HydrophobicContact CG-CE1 4.41Å
541	K	89.7	Confident	83.4	Confident	18 Å²	18	50.7 Å²	50.7	8%	0.078	23%	0.233	C	C	.	.	H	α-helix	trans	-52.6	-46.7	174.2	-83.1	-171	68.1	176.6	0	110.8	D450 D452 V456 Y537 Q538 R545	D450-K541 IonicContact OD2-NZ 3.09Å; D450-K541 PolarHBondContact OD2-NZ 3.07Å; D452-K541 IonicContact OD2-NZ 3.67Å; D452-K541 PolarHBondContact OD2-NZ 3.24Å; V456-K541 HydrophobicContact CB-CG 4.28Å; V456-K541 HydrophobicContact CG2-CG 4.32Å; Y537-K541 HydrophobicContact CE1-CD 3.85Å; Y537-K541 HydrophobicContact CE2-CD 4.14Å; Y537-K541 HydrophobicContact CE2-CG 4.03Å; Y537-K541 PolarHBondContact O-N 3.29Å; Q538-K541 PolarHBondContact O-N 2.94Å; K541-R545 VanDerWaalsContact O-CB 3.23Å; K541-R545 WeakPolarHBondContact O-CB 3.47Å; K541-R545 PolarHBondContact O-N 3.1Å
542	F	89.3	Confident	81.5	Confident	23 Å²	23	55 Å²	55	10%	0.101	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-46.4	178.9	169	-97.5	0	0	0	112.9	Q538 A539 Y540 V544 R545 I546 V751 L754 Q755 H758	Q538-F542 WeakPolarHBondContact O-CB 3.36Å; Q538-F542 PolarHBondContact O-N 3.11Å; A539-F542 PolarHBondContact O-N 3.17Å; Y540-F542 VanDerWaalsContact C-N 3.26Å; Y540-F542 PolarHBondContact O-N 3.39Å; F542-V544 PolarHBondContact O-N 3.46Å; F542-R545 WeakPolarHBondContact O-CB 3.44Å; F542-R545 PolarHBondContact O-N 2.66Å; F542-I546 HydrophobicContact CD2-CD1 4.42Å; F542-I546 HydrophobicContact CE1-CD1 3.78Å; F542-I546 HydrophobicContact CE2-CD1 3.53Å; F542-I546 HydrophobicContact CE2-CG1 4.02Å; F542-I546 HydrophobicContact CZ-CD1 3.14Å; F542-I546 HydrophobicContact CZ-CG1 4.04Å; F542-I546 PolarHBondContact O-N 3.08Å; F542-V751 HydrophobicContact CD1-CG1 3.58Å; F542-V751 HydrophobicContact CE1-CG1 3.97Å; F542-L754 HydrophobicContact CE1-CB 4.31Å; F542-L754 HydrophobicContact CE1-CD2 4.06Å; F542-L754 HydrophobicContact CE1-CG 3.99Å; F542-L754 HydrophobicContact CZ-CG 4.19Å; F542-Q755 HydrophobicContact CD2-CB 4.35Å; F542-Q755 HydrophobicContact CD2-CG 4.09Å; F542-Q755 HydrophobicContact CE1-CB 4.04Å; F542-Q755 HydrophobicContact CE2-CB 3.71Å; F542-Q755 HydrophobicContact CE2-CG 3.67Å; F542-Q755 HydrophobicContact CZ-CB 3.53Å; F542-Q755 HydrophobicContact CZ-CG 4.06Å; F542-H758 HydrophobicContact CZ-CB 4.38Å
543	L	90.1	Very high	79.3	Confident	9 Å²	9	59.8 Å²	59.8	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-42	179.8	-72.2	164.5	0	0	0	112.5	A539 Y540 K547 M561 I569 F573 F747 V751 L754	A539-L543 WeakPolarHBondContact O-CB 3.49Å; A539-L543 WeakPolarHBondContact O-CD1 3.46Å; A539-L543 WeakPolarHBondContact O-CG 3.42Å; A539-L543 PolarHBondContact O-N 2.81Å; Y540-L543 PolarHBondContact O-N 3.05Å; L543-K547 PolarHBondContact O-N 3.27Å; L543-M561 HydrophobicContact CB-CE 4.23Å; L543-I569 HydrophobicContact CB-CD1 4.36Å; L543-I569 HydrophobicContact CD1-CD1 4.3Å; L543-I569 HydrophobicContact CD1-CG2 4.34Å; L543-I569 HydrophobicContact CD2-CD1 4.11Å; L543-I569 HydrophobicContact CD2-CG1 4.34Å; L543-I569 HydrophobicContact CD2-CG2 4.38Å; L543-I569 HydrophobicContact CG-CD1 4.5Å; L543-F573 HydrophobicContact CD2-CZ 4.11Å; L543-F747 HydrophobicContact CD1-CE1 4.36Å; L543-F747 HydrophobicContact CD1-CZ 3.82Å; L543-V751 HydrophobicContact CD1-CG2 4.07Å; L543-V751 HydrophobicContact CG-CG2 4.48Å; L543-L754 HydrophobicContact CD2-CD2 4.08Å
544	V	87.1	Confident	77.3	Confident	13 Å²	13	64 Å²	64	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-44	173.7	174.5	0	0	0	0	110.6	Y540 F542 I546 K547 R548 M561	Y540-V544 HydrophobicContact CD1-CG2 4.14Å; Y540-V544 HydrophobicContact CE1-CG2 3.74Å; Y540-V544 HydrophobicContact CE2-CG2 4.47Å; Y540-V544 WeakPolarHBondContact O-CG2 3.29Å; Y540-V544 PolarHBondContact O-N 3.49Å; F542-V544 PolarHBondContact O-N 3.46Å; V544-I546 PolarHBondContact O-N 3.21Å; V544-K547 PolarHBondContact O-N 2.97Å; V544-R548 PolarHBondContact O-N 3.49Å; V544-R548 VanDerWaalsContact O-N 3.11Å; V544-M561 HydrophobicContact CG2-CB 4.4Å; V544-M561 HydrophobicContact CG2-CE 4.4Å
545	R	81.6	Confident	75.1	Confident	109 Å²	109	67.9 Å²	67.9	41%	0.411	33%	0.326	S	S	.	.	H	α-helix	trans	-58.6	-42.1	178.6	-173.9	169.3	-169.3	140.4	0.3	112.9	D452 I454 K541 F542	D452-R545 IonicContact OD1-CZ 2.94Å; D452-R545 IonicContact OD1-NH1 2.67Å; D452-R545 PolarHBondContact OD1-NH1 2.91Å; D452-R545 IonicContact OD2-NH1 2.72Å; I454-R545 HydrophobicContact CD1-CB 3.59Å; I454-R545 HydrophobicContact CD1-CG 3.53Å; K541-R545 VanDerWaalsContact O-CB 3.23Å; K541-R545 WeakPolarHBondContact O-CB 3.47Å; K541-R545 PolarHBondContact O-N 3.1Å; F542-R545 WeakPolarHBondContact O-CB 3.44Å; F542-R545 PolarHBondContact O-N 2.66Å
546	I	78.8	Confident	73	Confident	22 Å²	22	70.2 Å²	70.2	11%	0.113	34%	0.341	C	S	.	.	H	α-helix	trans	-65	-47	177.4	-75.9	-166.7	0	0	0	111	F542 V544 R548 K549 F550 L754 H758	F542-I546 HydrophobicContact CD2-CD1 4.42Å; F542-I546 HydrophobicContact CE1-CD1 3.78Å; F542-I546 HydrophobicContact CE2-CD1 3.53Å; F542-I546 HydrophobicContact CE2-CG1 4.02Å; F542-I546 HydrophobicContact CZ-CD1 3.14Å; F542-I546 HydrophobicContact CZ-CG1 4.04Å; F542-I546 PolarHBondContact O-N 3.08Å; V544-I546 PolarHBondContact O-N 3.21Å; I546-R548 VanDerWaalsContact C-N 3.32Å; I546-R548 PolarHBondContact O-N 3.31Å; I546-K549 PolarHBondContact O-N 3.27Å; I546-K549 VanDerWaalsContact O-N 3.11Å; I546-F550 HydrophobicContact CG2-CD2 4.38Å; I546-F550 HydrophobicContact CG2-CE2 3.94Å; I546-F550 WeakPolarHBondContact O-CD2 3.04Å; I546-L754 HydrophobicContact CD1-CG 4.46Å; I546-H758 HydrophobicContact CD1-CB 3.84Å
547	K	72.6	Confident	70.9	Confident	67 Å²	67	71.2 Å²	71.2	29%	0.291	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-37	-178.5	-75	-172	167.8	-179.2	0	112.7	L543 V544 K549 F550 Q551 S565	L543-K547 PolarHBondContact O-N 3.27Å; V544-K547 PolarHBondContact O-N 2.97Å; K547-K549 VanDerWaalsContact C-N 3.31Å; K547-K549 PolarHBondContact O-N 2.68Å; K547-F550 PolarHBondContact O-N 3.43Å; K547-F550 VanDerWaalsContact O-N 3.11Å; K547-Q551 PolarHBondContact O-N 3.41Å; K547-S565 PolarHBondContact NZ-O 3.22Å; K547-S565 VanDerWaalsContact NZ-O 3.12Å; K547-S565 PolarHBondContact NZ-OG 2.71Å
548	R	65.9	Low	69.1	Low	86 Å²	86	73.9 Å²	73.9	33%	0.325	37%	0.365	S	S	.	.	H	α-helix	trans	-56.2	-39	172.7	179.4	175.6	167.7	-158.9	-7.4	113.2	D453 V544 I546 F550 Q551	D453-R548 PolarHBondContact O-NH1 3.12Å; D453-R548 IonicContact OD2-CZ 2.83Å; D453-R548 IonicContact OD2-NH1 3.73Å; D453-R548 PolarHBondContact OD2-NH1 3.49Å; D453-R548 IonicContact OD2-NH2 2.8Å; D453-R548 PolarHBondContact OD2-NH2 3.29Å; V544-R548 PolarHBondContact O-N 3.49Å; V544-R548 VanDerWaalsContact O-N 3.11Å; I546-R548 VanDerWaalsContact C-N 3.32Å; I546-R548 PolarHBondContact O-N 3.31Å; R548-F550 PolarHBondContact O-N 3.16Å; R548-Q551 CarbonylContact O-C 3.53Å; R548-Q551 PolarHBondContact O-N 2.97Å; R548-Q551 VanDerWaalsContact O-N 3.1Å
549	K	58.5	Low	68.2	Low	91 Å²	91	72.7 Å²	72.7	40%	0.396	36%	0.357	S	S	.	.	H	α-helix	trans	-61.2	-27.2	179.2	-75.9	-167.8	175.8	-171.7	0	113.1	I546 K547 H758	I546-K549 PolarHBondContact O-N 3.27Å; I546-K549 VanDerWaalsContact O-N 3.11Å; K547-K549 VanDerWaalsContact C-N 3.31Å; K547-K549 PolarHBondContact O-N 2.68Å; K549-H758 WeakPolarHBondContact CD-CE1 3.32Å; K549-H758 PolarHBondContact NZ-NE2 2.91Å; K549-H758 VanDerWaalsContact NZ-NE2 3.17Å
550	F	54.8	Low	67.9	Low	167 Å²	167	73.2 Å²	73.2	73%	0.732	36%	0.36	S	S	*	.	H	α-helix	trans	-90.1	-18	176.7	-63.9	-75.4	0	0	0	113.7	I546 K547 R548	I546-F550 HydrophobicContact CG2-CD2 4.38Å; I546-F550 HydrophobicContact CG2-CE2 3.94Å; I546-F550 WeakPolarHBondContact O-CD2 3.04Å; K547-F550 PolarHBondContact O-N 3.43Å; K547-F550 VanDerWaalsContact O-N 3.11Å; R548-F550 PolarHBondContact O-N 3.16Å
551	Q	54	Low	67.6	Low	121 Å²	121	73.5 Å²	73.5	57%	0.565	36%	0.362	S	S	*	.			trans	-113.9	71.4	-179.9	-69.2	-178.1	-29.8	0	0	111.4	K547 R548 S553	K547-Q551 PolarHBondContact O-N 3.41Å; R548-Q551 CarbonylContact O-C 3.53Å; R548-Q551 PolarHBondContact O-N 2.97Å; R548-Q551 VanDerWaalsContact O-N 3.1Å; Q551-S553 PolarHBondContact O-N 2.81Å; Q551-S553 VanDerWaalsContact O-N 3.14Å
552	K	50.1	Low	67.7	Low	193 Å²	193	74.4 Å²	74.4	84%	0.839	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	0	-177.1	-73.2	-173.4	175.9	-179.4	0	115.8
553	S	46.6	Very low	67.9	Low	110 Å²	110	73.3 Å²	73.3	77%	0.769	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	8.9	-163.1	66.4	0	0	0	0	116.5	Q551	Q551-S553 PolarHBondContact O-N 2.81Å; Q551-S553 VanDerWaalsContact O-N 3.14Å
554	I	49.7	Very low	68	Low	89 Å²	89	77.2 Å²	77.2	46%	0.456	38%	0.378	S	S	.	.			trans	-125.3	112.8	-178.5	-54.6	177.5	0	0	0	109.8
555	L	45.7	Very low	68.2	Low	153 Å²	153	77.7 Å²	77.7	80%	0.801	38%	0.381	S	S	*	.	S	Bend	trans	-124.6	137.8	170.6	-110.7	80	0	0	0	109.3
556	P	50.9	Low	68.8	Low	105 Å²	105	72.5 Å²	72.5	68%	0.682	36%	0.362	S	S	*	.	S	Bend	cis	-66.1	143	-12.2	29.9	-33.9	0	0	0	110.4
557	P	52	Low	69.5	Low	22 Å²	22	72.7 Å²	72.7	14%	0.143	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-68.2	143.7	-176.3	-15.3	29.5	0	0	0	111	Y559	P557-Y559 WeakPolarHBondContact O-CE2 3.3Å; P557-Y559 PolarHBondContact O-N 3.4Å
558	P	56.2	Low	70.5	Confident	57 Å²	57	74.2 Å²	74.2	37%	0.37	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-64.2	119.3	167.2	26.8	-32.4	0	0	0	109.5	T560 E607	P558-T560 WeakPolarHBondContact CB-OG1 3.48Å; P558-T560 PolarHBondContact O-N 3.27Å; P558-E607 WeakPolarHBondContact CB-OE1 2.97Å
559	Y	71.8	Confident	71.8	Confident	65 Å²	65	70.6 Å²	70.6	26%	0.255	36%	0.357	S	S	.	.	S	Bend	trans	-77.6	28.5	177.7	-48.7	-71.4	0	0	0	112.6	S455 P557	S455-Y559 WeakPolarHBondContact OG-CD1 3.45Å; S455-Y559 WeakPolarHBondContact OG-CD2 3.46Å; S455-Y559 VanDerWaalsContact OG-CE1 3.3Å; S455-Y559 WeakPolarHBondContact OG-CE1 3.28Å; S455-Y559 WeakPolarHBondContact OG-CE2 3.46Å; S455-Y559 VanDerWaalsContact OG-CG 3.27Å; P557-Y559 WeakPolarHBondContact O-CE2 3.3Å; P557-Y559 PolarHBondContact O-N 3.4Å
560	T	86	Confident	73.4	Confident	17 Å²	17	66.3 Å²	66.3	10%	0.104	34%	0.338	C	S	.	.	S	Bend	trans	-130.9	171.2	-164.7	61.3	0	0	0	0	109.4	A436 Y540 P558 E607 L608	A436-T560 HydrophobicContact CB-CG2 3.89Å; Y540-T560 VanDerWaalsContact OH-CA 3.31Å; Y540-T560 WeakPolarHBondContact OH-CA 3.18Å; P558-T560 WeakPolarHBondContact CB-OG1 3.48Å; P558-T560 PolarHBondContact O-N 3.27Å; T560-E607 HydrophobicContact CG2-CB 4.17Å; T560-E607 WeakPolarHBondContact CG2-OE1 3.24Å; T560-E607 WeakPolarHBondContact OG1-CG 3.17Å; T560-E607 PolarHBondContact OG1-OE1 2.61Å; T560-L608 VanDerWaalsContact CB-O 3.29Å; T560-L608 WeakPolarHBondContact CB-O 3.22Å
561	M	88.5	Confident	75.3	Confident	7 Å²	7	64.1 Å²	64.1	3%	0.034	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144	162.7	66.1	173.2	60.5	0	0	110.3	Y540 L543 V544 F566 I569 L608 F613	Y540-M561 HydrophobicContact CD2-CE 3.51Å; Y540-M561 HydrophobicContact CD2-SD 4.47Å; Y540-M561 HydrophobicContact CE2-CE 3.61Å; Y540-M561 HydrophobicContact CE2-CG 3.91Å; Y540-M561 HydrophobicContact CE2-SD 4.19Å; Y540-M561 HydrophobicContact CG-CE 4.4Å; Y540-M561 PolarHBondContact OH-N 3.36Å; L543-M561 HydrophobicContact CB-CE 4.23Å; V544-M561 HydrophobicContact CG2-CB 4.4Å; V544-M561 HydrophobicContact CG2-CE 4.4Å; M561-F566 HydrophobicContact SD-CB 3.96Å; M561-F566 HydrophobicContact SD-CD2 4.07Å; M561-F566 HydrophobicContact SD-CG 4.44Å; M561-I569 HydrophobicContact CE-CD1 4.15Å; M561-I569 HydrophobicContact SD-CD1 4.31Å; M561-L608 HydrophobicContact CG-CB 4.25Å; M561-L608 PolarHBondContact N-O 2.84Å; M561-L608 VanDerWaalsContact N-O 3.08Å; M561-L608 WeakPolarHBondContact O-CA 3.23Å; M561-L608 WeakPolarHBondContact O-CB 3.3Å; M561-L608 PolarHBondContact O-N 2.77Å; M561-F613 HydrophobicContact CE-CD2 3.97Å; M561-F613 HydrophobicContact CE-CE2 4.06Å; M561-F613 HydrophobicContact SD-CD2 3.61Å; M561-F613 HydrophobicContact SD-CE2 4.1Å; M561-F613 HydrophobicContact SD-CG 4.43Å
562	T	91.5	Very high	77.1	Confident	36 Å²	36	63.3 Å²	63.3	22%	0.221	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	156.7	174.3	56.9	0	0	0	0	112.1	R564 S565 F566 D605 A606	T562-R564 VanDerWaalsContact C-N 3.26Å; T562-R564 PolarHBondContact O-N 2.69Å; T562-S565 CarbonylContact O-C 3.45Å; T562-S565 WeakPolarHBondContact O-CA 3.28Å; T562-S565 VanDerWaalsContact O-CB 3.22Å; T562-S565 WeakPolarHBondContact O-CB 3.36Å; T562-S565 PolarHBondContact O-N 2.79Å; T562-S565 WeakPolarHBondContact OG1-CB 3.37Å; T562-S565 PolarHBondContact OG1-N 3.45Å; T562-S565 PolarHBondContact OG1-OG 2.81Å; T562-S565 VanDerWaalsContact OG1-OG 3.12Å; T562-F566 PolarHBondContact O-N 2.76Å; T562-D605 WeakPolarHBondContact CG2-O 3.13Å; T562-A606 CarbonylContact C-O 3.44Å; T562-A606 VanDerWaalsContact CA-O 3.28Å; T562-A606 WeakPolarHBondContact CA-O 3.47Å
563	V	92.7	Very high	79.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-53	-44.6	172.4	179.1	0	0	0	0	111.4	S565 F566 L567 L586 V589 V596 A606 L608	V563-S565 VanDerWaalsContact C-N 3.26Å; V563-S565 PolarHBondContact O-N 3.48Å; V563-F566 PolarHBondContact O-N 2.62Å; V563-L567 HydrophobicContact CG1-CD1 4.23Å; V563-L567 WeakPolarHBondContact O-CG 3.36Å; V563-L567 PolarHBondContact O-N 3.28Å; V563-L586 HydrophobicContact CG1-CD2 3.94Å; V563-V589 HydrophobicContact CG1-CG1 4.11Å; V563-V589 HydrophobicContact CG2-CG1 3.82Å; V563-V596 HydrophobicContact CG2-CB 4.5Å; V563-V596 HydrophobicContact CG2-CG1 3.88Å; V563-V596 HydrophobicContact CG2-CG2 3.75Å; V563-A606 HydrophobicContact CG2-CB 4.18Å; V563-A606 PolarHBondContact N-O 2.67Å; V563-L608 HydrophobicContact CG2-CD1 4.2Å; V563-L608 HydrophobicContact CG2-CD2 3.99Å; V563-L608 HydrophobicContact CG2-CG 4.06Å
564	R	92.3	Very high	81.3	Confident	92 Å²	92	55.6 Å²	55.6	35%	0.347	29%	0.286	S	S	.	.	H	α-helix	trans	-57.1	-41	173.4	-169.6	-176.3	-58.3	109.4	-4.9	111.6	T562 L567 F568 S604 D605	T562-R564 VanDerWaalsContact C-N 3.26Å; T562-R564 PolarHBondContact O-N 2.69Å; R564-L567 PolarHBondContact O-N 3.1Å; R564-F568 HydrophobicContact CG-CD2 3.88Å; R564-F568 HydrophobicContact CG-CE2 3.57Å; R564-F568 WeakPolarHBondContact O-CD2 3.49Å; R564-F568 PolarHBondContact O-N 3Å; R564-F568 VanDerWaalsContact O-N 3.12Å; R564-S604 VanDerWaalsContact CB-O 3.29Å; R564-S604 WeakPolarHBondContact CB-O 3.34Å; R564-S604 PolarHBondContact N-O 3.15Å; R564-S604 PolarHBondContact NH2-OG 2.98Å; R564-D605 IonicContact CZ-OD1 2.71Å; R564-D605 IonicContact CZ-OD2 3.64Å; R564-D605 IonicContact NH1-OD1 2.68Å; R564-D605 PolarHBondContact NH1-OD1 2.87Å; R564-D605 IonicContact NH1-OD2 3.65Å; R564-D605 PolarHBondContact NH1-OD2 3.04Å; R564-D605 VanDerWaalsContact NH1-OD2 3.16Å; R564-D605 IonicContact NH2-OD1 2.66Å; R564-D605 IonicContact NH2-OD2 3.53Å; R564-D605 PolarHBondContact NH2-OD2 3.42Å
565	S	90.9	Very high	83.3	Confident	22 Å²	22	51.6 Å²	51.6	15%	0.154	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-40.1	177.9	-82.2	0	0	0	0	113.2	K547 T562 V563 I569	K547-S565 PolarHBondContact NZ-O 3.22Å; K547-S565 VanDerWaalsContact NZ-O 3.12Å; K547-S565 PolarHBondContact NZ-OG 2.71Å; T562-S565 CarbonylContact O-C 3.45Å; T562-S565 WeakPolarHBondContact O-CA 3.28Å; T562-S565 VanDerWaalsContact O-CB 3.22Å; T562-S565 WeakPolarHBondContact O-CB 3.36Å; T562-S565 PolarHBondContact O-N 2.79Å; T562-S565 WeakPolarHBondContact OG1-CB 3.37Å; T562-S565 PolarHBondContact OG1-N 3.45Å; T562-S565 PolarHBondContact OG1-OG 2.81Å; T562-S565 VanDerWaalsContact OG1-OG 3.12Å; V563-S565 VanDerWaalsContact C-N 3.26Å; V563-S565 PolarHBondContact O-N 3.48Å; S565-I569 WeakPolarHBondContact O-CD1 3.19Å; S565-I569 VanDerWaalsContact O-CG1 3.26Å; S565-I569 WeakPolarHBondContact O-CG1 3.36Å; S565-I569 PolarHBondContact O-N 3.47Å
566	F	94.3	Very high	85.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-45.4	176.1	179.5	-123.9	0	0	0	111.7	M561 T562 V563 F568 I569 L570 V585 V589 L608 F613 A616 L617	M561-F566 HydrophobicContact SD-CB 3.96Å; M561-F566 HydrophobicContact SD-CD2 4.07Å; M561-F566 HydrophobicContact SD-CG 4.44Å; T562-F566 PolarHBondContact O-N 2.76Å; V563-F566 PolarHBondContact O-N 2.62Å; F566-F568 VanDerWaalsContact C-N 3.34Å; F566-F568 PolarHBondContact O-N 2.74Å; F566-I569 PolarHBondContact O-N 2.87Å; F566-I569 VanDerWaalsContact O-N 3.16Å; F566-L570 HydrophobicContact CD1-CD1 4.32Å; F566-L570 HydrophobicContact CD2-CG 4.48Å; F566-L570 HydrophobicContact CE1-CD1 3.87Å; F566-L570 HydrophobicContact CE2-CD1 4.15Å; F566-L570 HydrophobicContact CE2-CD2 4.28Å; F566-L570 HydrophobicContact CE2-CG 4.21Å; F566-L570 HydrophobicContact CZ-CD1 3.78Å; F566-L570 HydrophobicContact CZ-CG 4.34Å; F566-L570 PolarHBondContact O-N 3.49Å; F566-V585 HydrophobicContact CD1-CG1 4.12Å; F566-V585 HydrophobicContact CE1-CG1 3.68Å; F566-V589 HydrophobicContact CD1-CG2 3.88Å; F566-V589 HydrophobicContact CE1-CG2 3.78Å; F566-L608 HydrophobicContact CB-CD1 3.99Å; F566-L608 HydrophobicContact CD1-CD1 4.19Å; F566-L608 HydrophobicContact CG-CD1 4.22Å; F566-F613 AromaticContact CD2-CD2 3.62Å; F566-F613 HydrophobicContact CD2-CD2 3.62Å; F566-F613 AromaticContact CD2-CE2 3.89Å; F566-F613 HydrophobicContact CD2-CE2 3.89Å; F566-F613 AromaticContact CE2-CD2 3.54Å; F566-F613 HydrophobicContact CE2-CD2 3.54Å; F566-F613 AromaticContact CE2-CE2 3.71Å; F566-F613 HydrophobicContact CE2-CE2 3.71Å; F566-A616 HydrophobicContact CE1-CB 3.87Å; F566-A616 HydrophobicContact CZ-CB 4Å; F566-L617 HydrophobicContact CE2-CD2 3.9Å; F566-L617 HydrophobicContact CE2-CG 4.1Å; F566-L617 HydrophobicContact CZ-CD2 4Å; F566-L617 HydrophobicContact CZ-CG 4.2Å
567	L	94.1	Very high	87.2	Confident	26 Å²	26	44.8 Å²	44.8	14%	0.136	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-40.8	177.1	-69.3	171.4	0	0	0	112.8	V563 R564 K571 V582 V585 L586	V563-L567 HydrophobicContact CG1-CD1 4.23Å; V563-L567 WeakPolarHBondContact O-CG 3.36Å; V563-L567 PolarHBondContact O-N 3.28Å; R564-L567 PolarHBondContact O-N 3.1Å; L567-K571 WeakPolarHBondContact O-CB 3.48Å; L567-K571 PolarHBondContact O-N 3.28Å; L567-V582 HydrophobicContact CD1-CG1 4.44Å; L567-V582 HydrophobicContact CD2-CG1 4.26Å; L567-V585 HydrophobicContact CD2-CB 3.94Å; L567-V585 HydrophobicContact CD2-CG1 3.68Å; L567-L586 HydrophobicContact CD1-CD2 3.93Å; L567-L586 HydrophobicContact CD1-CG 4.24Å
568	F	92.9	Very high	88.8	Confident	100 Å²	100	55.4 Å²	55.4	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-64.2	-43.2	174.2	-79.7	-57.7	0	0	0	112.2	R564 F566 L570 K571 D572	R564-F568 HydrophobicContact CG-CD2 3.88Å; R564-F568 HydrophobicContact CG-CE2 3.57Å; R564-F568 WeakPolarHBondContact O-CD2 3.49Å; R564-F568 PolarHBondContact O-N 3Å; R564-F568 VanDerWaalsContact O-N 3.12Å; F566-F568 VanDerWaalsContact C-N 3.34Å; F566-F568 PolarHBondContact O-N 2.74Å; F568-L570 PolarHBondContact O-N 3.04Å; F568-K571 HydrophobicContact CD1-CD 4.44Å; F568-K571 WeakPolarHBondContact O-CB 3.24Å; F568-K571 PolarHBondContact O-N 2.85Å; F568-K571 VanDerWaalsContact O-N 3.11Å; F568-D572 WeakPolarHBondContact O-CB 3.4Å; F568-D572 PolarHBondContact O-N 3Å
569	I	93.4	Very high	90.2	Very high	10 Å²	10	56.8 Å²	56.8	5%	0.051	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-45.9	177.7	-68.9	160.3	0	0	0	111.1	L543 M561 S565 F566 K571 D572 F573 F747	L543-I569 HydrophobicContact CB-CD1 4.36Å; L543-I569 HydrophobicContact CD1-CD1 4.3Å; L543-I569 HydrophobicContact CD1-CG2 4.34Å; L543-I569 HydrophobicContact CD2-CD1 4.11Å; L543-I569 HydrophobicContact CD2-CG1 4.34Å; L543-I569 HydrophobicContact CD2-CG2 4.38Å; L543-I569 HydrophobicContact CG-CD1 4.5Å; M561-I569 HydrophobicContact CE-CD1 4.15Å; M561-I569 HydrophobicContact SD-CD1 4.31Å; S565-I569 WeakPolarHBondContact O-CD1 3.19Å; S565-I569 VanDerWaalsContact O-CG1 3.26Å; S565-I569 WeakPolarHBondContact O-CG1 3.36Å; S565-I569 PolarHBondContact O-N 3.47Å; F566-I569 PolarHBondContact O-N 2.87Å; F566-I569 VanDerWaalsContact O-N 3.16Å; I569-K571 VanDerWaalsContact C-N 3.3Å; I569-K571 PolarHBondContact O-N 2.82Å; I569-D572 PolarHBondContact O-N 3.49Å; I569-F573 HydrophobicContact CG2-CD2 3.65Å; I569-F573 HydrophobicContact CG2-CE2 3.39Å; I569-F573 HydrophobicContact CG2-CG 4.38Å; I569-F573 HydrophobicContact CG2-CZ 3.93Å; I569-F573 WeakPolarHBondContact O-CB 3.27Å; I569-F573 VanDerWaalsContact O-CG 3.26Å; I569-F573 WeakPolarHBondContact O-CG 3.43Å; I569-F573 PolarHBondContact O-N 3.21Å; I569-F747 HydrophobicContact CG2-CE2 3.96Å; I569-F747 HydrophobicContact CG2-CZ 4.31Å
570	L	93.6	Very high	91.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-30.7	177.3	-63.8	179.6	0	0	0	113.5	F566 F568 L575 L576 V585 L617 F747	F566-L570 HydrophobicContact CD1-CD1 4.32Å; F566-L570 HydrophobicContact CD2-CG 4.48Å; F566-L570 HydrophobicContact CE1-CD1 3.87Å; F566-L570 HydrophobicContact CE2-CD1 4.15Å; F566-L570 HydrophobicContact CE2-CD2 4.28Å; F566-L570 HydrophobicContact CE2-CG 4.21Å; F566-L570 HydrophobicContact CZ-CD1 3.78Å; F566-L570 HydrophobicContact CZ-CG 4.34Å; F566-L570 PolarHBondContact O-N 3.49Å; F568-L570 PolarHBondContact O-N 3.04Å; L570-L575 HydrophobicContact CB-CB 4.5Å; L570-L575 HydrophobicContact CD2-CB 4.33Å; L570-L575 HydrophobicContact CD2-CD1 3.69Å; L570-L575 WeakPolarHBondContact O-CB 3.04Å; L570-L575 PolarHBondContact O-N 2.74Å; L570-L576 HydrophobicContact CB-CD1 4.49Å; L570-L576 HydrophobicContact CB-CD2 4.06Å; L570-L576 HydrophobicContact CB-CG 3.98Å; L570-L576 HydrophobicContact CD1-CD2 4.47Å; L570-L576 PolarHBondContact O-N 2.87Å; L570-V585 HydrophobicContact CD1-CB 4.45Å; L570-V585 HydrophobicContact CD1-CG1 3.66Å; L570-V585 HydrophobicContact CD1-CG2 3.93Å; L570-L617 HydrophobicContact CD2-CD2 4.09Å; L570-F747 HydrophobicContact CD2-CD2 4.19Å; L570-F747 HydrophobicContact CD2-CE2 4.22Å
571	K	93.3	Very high	91.4	Very high	121 Å²	121	55.3 Å²	55.3	53%	0.526	26%	0.26	S	S	.	.	H	α-helix	trans	-68.7	-51.8	173.2	-175.2	-164.3	171.3	-163.7	0	110.7	L567 F568 I569 F573 N574 L576	L567-K571 WeakPolarHBondContact O-CB 3.48Å; L567-K571 PolarHBondContact O-N 3.28Å; F568-K571 HydrophobicContact CD1-CD 4.44Å; F568-K571 WeakPolarHBondContact O-CB 3.24Å; F568-K571 PolarHBondContact O-N 2.85Å; F568-K571 VanDerWaalsContact O-N 3.11Å; I569-K571 VanDerWaalsContact C-N 3.3Å; I569-K571 PolarHBondContact O-N 2.82Å; K571-F573 VanDerWaalsContact C-N 3.3Å; K571-F573 PolarHBondContact O-N 3.46Å; K571-N574 WeakPolarHBondContact O-CA 3.46Å; K571-N574 PolarHBondContact O-N 3.3Å; K571-L576 HydrophobicContact CB-CD1 3.88Å
572	D	91.9	Very high	91.7	Very high	104 Å²	104	58.3 Å²	58.3	56%	0.556	28%	0.278	S	S	*	.	H	α-helix	trans	-67.6	-33	-173.3	-60.8	-19.1	0	0	0	111.2	F568 I569 N574	F568-D572 WeakPolarHBondContact O-CB 3.4Å; F568-D572 PolarHBondContact O-N 3Å; I569-D572 PolarHBondContact O-N 3.49Å; D572-N574 PolarHBondContact O-N 3.22Å; D572-N574 PolarHBondContact O-ND2 3.43Å
573	F	93.6	Very high	91.7	Very high	21 Å²	21	62.2 Å²	62.2	9%	0.092	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	6.2	171.7	-63.9	-10.3	0	0	0	114.2	L543 I569 K571 L575 F747 V751 L754	L543-F573 HydrophobicContact CD2-CZ 4.11Å; I569-F573 HydrophobicContact CG2-CD2 3.65Å; I569-F573 HydrophobicContact CG2-CE2 3.39Å; I569-F573 HydrophobicContact CG2-CG 4.38Å; I569-F573 HydrophobicContact CG2-CZ 3.93Å; I569-F573 WeakPolarHBondContact O-CB 3.27Å; I569-F573 VanDerWaalsContact O-CG 3.26Å; I569-F573 WeakPolarHBondContact O-CG 3.43Å; I569-F573 PolarHBondContact O-N 3.21Å; K571-F573 VanDerWaalsContact C-N 3.3Å; K571-F573 PolarHBondContact O-N 3.46Å; F573-L575 HydrophobicContact CB-CD1 3.93Å; F573-L575 HydrophobicContact CB-CG 3.94Å; F573-L575 HydrophobicContact CD2-CD1 4.36Å; F573-L575 PolarHBondContact O-N 3.21Å; F573-F747 AromaticContact CD2-CD2 3.99Å; F573-F747 HydrophobicContact CD2-CD2 3.99Å; F573-F747 AromaticContact CD2-CE2 3.96Å; F573-F747 HydrophobicContact CD2-CE2 3.96Å; F573-F747 HydrophobicContact CE2-CD2 4.31Å; F573-F747 AromaticContact CE2-CE2 3.95Å; F573-F747 HydrophobicContact CE2-CE2 3.95Å; F573-F747 HydrophobicContact CE2-CZ 4.13Å; F573-V751 HydrophobicContact CE2-CG2 3.45Å; F573-V751 VanDerWaalsContact CE2-CG2 3.45Å; F573-V751 HydrophobicContact CZ-CB 4.48Å; F573-V751 HydrophobicContact CZ-CG2 3.66Å; F573-L754 HydrophobicContact CE1-CD2 4.14Å; F573-L754 HydrophobicContact CZ-CD2 4.2Å
574	N	91.8	Very high	91.8	Very high	121 Å²	121	63 Å²	63	65%	0.647	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	40.6	-178.6	-62.1	-76.9	0	0	0	112.8	K571 D572 K746	K571-N574 WeakPolarHBondContact O-CA 3.46Å; K571-N574 PolarHBondContact O-N 3.3Å; D572-N574 PolarHBondContact O-N 3.22Å; D572-N574 PolarHBondContact O-ND2 3.43Å; N574-K746 PolarHBondContact O-NZ 3.01Å
575	L	91.7	Very high	91.8	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.021	28%	0.28	C	S	.	.			trans	-91.9	-31.2	175.9	-63.6	173	0	0	0	111.3	L570 F573 N577 F743 K746 F747	L570-L575 HydrophobicContact CB-CB 4.5Å; L570-L575 HydrophobicContact CD2-CB 4.33Å; L570-L575 HydrophobicContact CD2-CD1 3.69Å; L570-L575 WeakPolarHBondContact O-CB 3.04Å; L570-L575 PolarHBondContact O-N 2.74Å; F573-L575 HydrophobicContact CB-CD1 3.93Å; F573-L575 HydrophobicContact CB-CG 3.94Å; F573-L575 HydrophobicContact CD2-CD1 4.36Å; F573-L575 PolarHBondContact O-N 3.21Å; L575-N577 PolarHBondContact O-ND2 3.23Å; L575-F743 HydrophobicContact CB-CE2 4.14Å; L575-F743 HydrophobicContact CB-CZ 4.46Å; L575-F743 HydrophobicContact CD1-CZ 4.37Å; L575-F743 HydrophobicContact CD2-CD2 4.37Å; L575-F743 HydrophobicContact CD2-CE2 4.08Å; L575-F743 HydrophobicContact CG-CE2 4.49Å; L575-K746 HydrophobicContact CD2-CB 4.32Å; L575-K746 HydrophobicContact CD2-CD 3.63Å; L575-K746 HydrophobicContact CD2-CG 3.9Å; L575-F747 HydrophobicContact CD1-CB 4.06Å; L575-F747 HydrophobicContact CD1-CD2 3.59Å; L575-F747 HydrophobicContact CD1-CG 4.31Å
576	L	91.1	Very high	92	Very high	38 Å²	38	57.9 Å²	57.9	20%	0.199	27%	0.274	C	S	.	.			trans	-69.2	133.5	169.8	-58.7	180	0	0	0	111.1	L570 K571 L580 V582 V585	L570-L576 HydrophobicContact CB-CD1 4.49Å; L570-L576 HydrophobicContact CB-CD2 4.06Å; L570-L576 HydrophobicContact CB-CG 3.98Å; L570-L576 HydrophobicContact CD1-CD2 4.47Å; L570-L576 PolarHBondContact O-N 2.87Å; K571-L576 HydrophobicContact CB-CD1 3.88Å; L576-L580 CarbonylContact C-O 3.56Å; L576-L580 VanDerWaalsContact CA-O 3.31Å; L576-L580 WeakPolarHBondContact CA-O 3.37Å; L576-V582 HydrophobicContact CD1-CG2 3.89Å; L576-V585 HydrophobicContact CD2-CG2 3.69Å
577	N	87.1	Confident	91.8	Very high	77 Å²	77	60.3 Å²	60.3	41%	0.412	29%	0.285	S	S	.	.	S	Bend	trans	-159.6	-170.1	-179.4	61.3	68.5	0	0	0	110.8	L575 K579 L580	L575-N577 PolarHBondContact O-ND2 3.23Å; N577-K579 PolarHBondContact O-N 3.3Å; N577-K579 WeakPolarHBondContact OD1-CA 3.45Å; N577-K579 VanDerWaalsContact OD1-CB 3.3Å; N577-K579 WeakPolarHBondContact OD1-CB 3.32Å; N577-K579 PolarHBondContact OD1-N 3.34Å; N577-L580 PolarHBondContact N-O 3.14Å; N577-L580 CarbonylContact O-C 3.29Å; N577-L580 PolarHBondContact O-N 3.4Å; N577-L580 PolarHBondContact OD1-N 3.36Å
578	R	85.2	Confident	91.7	Very high	245 Å²	245	59 Å²	59	93%	0.925	28%	0.279	S	S	*	.	S	Bend	trans	-62.3	-24.3	179	-69.6	-172.3	-179.5	-175.3	0.7	114.2
579	K	85.5	Confident	91.7	Very high	86 Å²	86	54.3 Å²	54.3	37%	0.374	26%	0.258	S	S	.	.	S	Bend	trans	-86.4	-48.3	176	-56.8	-168.2	174.1	-156.8	0	111.4	N577 L624 K627	N577-K579 PolarHBondContact O-N 3.3Å; N577-K579 WeakPolarHBondContact OD1-CA 3.45Å; N577-K579 VanDerWaalsContact OD1-CB 3.3Å; N577-K579 WeakPolarHBondContact OD1-CB 3.32Å; N577-K579 PolarHBondContact OD1-N 3.34Å; K579-L624 HydrophobicContact CB-CD2 3.79Å; K579-K627 WeakPolarHBondContact O-CD 3.27Å; K579-K627 PolarHBondContact O-NZ 2.89Å
580	L	91.5	Very high	91.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-105.1	92.2	175.2	-172.2	69.9	0	0	0	110.4	L576 N577 D584 V585 C620 I623 L624 F743	L576-L580 CarbonylContact C-O 3.56Å; L576-L580 VanDerWaalsContact CA-O 3.31Å; L576-L580 WeakPolarHBondContact CA-O 3.37Å; N577-L580 PolarHBondContact N-O 3.14Å; N577-L580 CarbonylContact O-C 3.29Å; N577-L580 PolarHBondContact O-N 3.4Å; N577-L580 PolarHBondContact OD1-N 3.36Å; L580-D584 HydrophobicContact CD1-CB 4.01Å; L580-V585 HydrophobicContact CD1-CG2 3.97Å; L580-V585 HydrophobicContact CD2-CG2 4.21Å; L580-V585 HydrophobicContact CG-CG2 3.91Å; L580-C620 HydrophobicContact CD1-CB 4.1Å; L580-C620 HydrophobicContact CD2-CB 4.04Å; L580-I623 HydrophobicContact CD1-CB 4.46Å; L580-I623 HydrophobicContact CD1-CG2 4.43Å; L580-L624 HydrophobicContact CB-CD1 4.49Å; L580-L624 HydrophobicContact CB-CD2 3.79Å; L580-L624 HydrophobicContact CB-CG 4.06Å; L580-L624 HydrophobicContact CD2-CD1 4.26Å; L580-F743 HydrophobicContact CD2-CE2 3.84Å; L580-F743 HydrophobicContact CD2-CZ 3.95Å
581	T	93.3	Very high	91.3	Very high	52 Å²	52	60.7 Å²	60.7	32%	0.319	29%	0.288	S	S	.	.			trans	-85.6	166	179.3	72.7	0	0	0	0	111.6	K583 D584 V585	T581-K583 PolarHBondContact O-N 3.49Å; T581-K583 PolarHBondContact OG1-N 3.4Å; T581-D584 WeakPolarHBondContact CA-OD2 3.46Å; T581-D584 VanDerWaalsContact CB-OD2 3.28Å; T581-D584 WeakPolarHBondContact CB-OD2 3.4Å; T581-D584 WeakPolarHBondContact CG2-OD2 3.45Å; T581-D584 PolarHBondContact N-OD2 2.91Å; T581-D584 WeakPolarHBondContact O-CB 3.33Å; T581-D584 PolarHBondContact O-N 3.2Å; T581-D584 VanDerWaalsContact O-N 3.16Å; T581-D584 VanDerWaalsContact OG1-CG 3.26Å; T581-D584 PolarHBondContact OG1-N 3.44Å; T581-D584 PolarHBondContact OG1-OD2 3.47Å; T581-V585 PolarHBondContact O-N 3.45Å
582	V	93.3	Very high	91	Very high	70 Å²	70	55 Å²	55	42%	0.424	26%	0.264	S	S	.	.	H	α-helix	trans	-55.8	-37.4	172.5	177	0	0	0	0	111.6	L567 L576 V585 L586	L567-V582 HydrophobicContact CD1-CG1 4.44Å; L567-V582 HydrophobicContact CD2-CG1 4.26Å; L576-V582 HydrophobicContact CD1-CG2 3.89Å; V582-V585 PolarHBondContact O-N 2.84Å; V582-L586 HydrophobicContact CG1-CD1 4Å; V582-L586 HydrophobicContact CG1-CG 4.47Å; V582-L586 WeakPolarHBondContact O-CG 3.49Å; V582-L586 PolarHBondContact O-N 3.19Å
583	K	93.2	Very high	90.8	Very high	117 Å²	117	50.1 Å²	50.1	51%	0.509	24%	0.237	S	C	.	.	H	α-helix	trans	-63.7	-43.8	178.3	-165.2	-166.9	-175.8	-120.5	0	111.4	T581 V585 L586 E587 I599	T581-K583 PolarHBondContact O-N 3.49Å; T581-K583 PolarHBondContact OG1-N 3.4Å; K583-V585 VanDerWaalsContact C-N 3.32Å; K583-V585 PolarHBondContact O-N 2.86Å; K583-L586 PolarHBondContact O-N 3.3Å; K583-E587 WeakPolarHBondContact CE-OE1 3.34Å; K583-E587 IonicContact NZ-OE1 2.75Å; K583-E587 PolarHBondContact NZ-OE1 3.02Å; K583-E587 WeakPolarHBondContact O-CG 3.43Å; K583-E587 PolarHBondContact O-N 3.07Å; K583-I599 HydrophobicContact CG-CD1 3.93Å; K583-I599 HydrophobicContact CG-CG1 4.01Å
584	D	93.1	Very high	90.5	Very high	17 Å²	17	51.4 Å²	51.4	9%	0.091	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-42.4	178.7	-61.1	-60.1	0	0	0	111.9	L580 T581 E587 A588 I623 K627	L580-D584 HydrophobicContact CD1-CB 4.01Å; T581-D584 WeakPolarHBondContact CA-OD2 3.46Å; T581-D584 VanDerWaalsContact CB-OD2 3.28Å; T581-D584 WeakPolarHBondContact CB-OD2 3.4Å; T581-D584 WeakPolarHBondContact CG2-OD2 3.45Å; T581-D584 PolarHBondContact N-OD2 2.91Å; T581-D584 WeakPolarHBondContact O-CB 3.33Å; T581-D584 PolarHBondContact O-N 3.2Å; T581-D584 VanDerWaalsContact O-N 3.16Å; T581-D584 VanDerWaalsContact OG1-CG 3.26Å; T581-D584 PolarHBondContact OG1-N 3.44Å; T581-D584 PolarHBondContact OG1-OD2 3.47Å; D584-E587 PolarHBondContact O-N 3.44Å; D584-A588 PolarHBondContact O-N 3.49Å; D584-I623 HydrophobicContact CB-CD1 4.16Å; D584-I623 HydrophobicContact CB-CG2 4.05Å; D584-I623 WeakPolarHBondContact O-CD1 3.27Å; D584-K627 WeakPolarHBondContact OD1-CE 3.26Å; D584-K627 IonicContact OD1-NZ 2.76Å; D584-K627 PolarHBondContact OD1-NZ 3.37Å; D584-K627 IonicContact OD2-NZ 2.6Å; D584-K627 PolarHBondContact OD2-NZ 3.4Å
585	V	93.5	Very high	90.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.7	-41.6	177.3	-177.8	0	0	0	0	111.2	F566 L567 L570 L576 L580 T581 V582 K583 A588 V589	F566-V585 HydrophobicContact CD1-CG1 4.12Å; F566-V585 HydrophobicContact CE1-CG1 3.68Å; L567-V585 HydrophobicContact CD2-CB 3.94Å; L567-V585 HydrophobicContact CD2-CG1 3.68Å; L570-V585 HydrophobicContact CD1-CB 4.45Å; L570-V585 HydrophobicContact CD1-CG1 3.66Å; L570-V585 HydrophobicContact CD1-CG2 3.93Å; L576-V585 HydrophobicContact CD2-CG2 3.69Å; L580-V585 HydrophobicContact CD1-CG2 3.97Å; L580-V585 HydrophobicContact CD2-CG2 4.21Å; L580-V585 HydrophobicContact CG-CG2 3.91Å; T581-V585 PolarHBondContact O-N 3.45Å; V582-V585 PolarHBondContact O-N 2.84Å; K583-V585 VanDerWaalsContact C-N 3.32Å; K583-V585 PolarHBondContact O-N 2.86Å; V585-A588 WeakPolarHBondContact O-CB 3.39Å; V585-A588 PolarHBondContact O-N 3.25Å; V585-V589 HydrophobicContact CG1-CG2 4.27Å; V585-V589 WeakPolarHBondContact O-CB 3.34Å; V585-V589 VanDerWaalsContact O-CG2 3.3Å; V585-V589 WeakPolarHBondContact O-CG2 3.38Å; V585-V589 PolarHBondContact O-N 3.27Å
586	L	93.8	Very high	90	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-44.7	174.7	-78	169.4	0	0	0	111.4	V563 L567 V582 K583 A588 V589 C590 I599 Y602	V563-L586 HydrophobicContact CG1-CD2 3.94Å; L567-L586 HydrophobicContact CD1-CD2 3.93Å; L567-L586 HydrophobicContact CD1-CG 4.24Å; V582-L586 HydrophobicContact CG1-CD1 4Å; V582-L586 HydrophobicContact CG1-CG 4.47Å; V582-L586 WeakPolarHBondContact O-CG 3.49Å; V582-L586 PolarHBondContact O-N 3.19Å; K583-L586 PolarHBondContact O-N 3.3Å; L586-A588 VanDerWaalsContact C-N 3.29Å; L586-A588 PolarHBondContact O-N 3.13Å; L586-V589 PolarHBondContact O-N 3.43Å; L586-C590 WeakPolarHBondContact O-CB 3.23Å; L586-C590 PolarHBondContact O-N 3Å; L586-C590 PolarHBondContact O-SG 3.39Å; L586-I599 HydrophobicContact CB-CD1 3.41Å; L586-I599 VanDerWaalsContact CB-CD1 3.41Å; L586-I599 HydrophobicContact CD1-CD1 4.22Å; L586-I599 HydrophobicContact CG-CD1 4.46Å; L586-Y602 HydrophobicContact CD1-CD1 4.4Å; L586-Y602 HydrophobicContact CD1-CE1 3.83Å; L586-Y602 HydrophobicContact CD1-CE2 3.99Å; L586-Y602 HydrophobicContact CD2-CD2 3.69Å; L586-Y602 HydrophobicContact CD2-CE2 3.69Å; L586-Y602 HydrophobicContact CD2-CG 4.16Å
587	E	91.6	Very high	89.9	Confident	51 Å²	51	48 Å²	48	24%	0.238	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-37.8	174.6	-75.1	-175.8	-155.2	0	0	112.6	K583 D584 K591 I599	K583-E587 WeakPolarHBondContact CE-OE1 3.34Å; K583-E587 IonicContact NZ-OE1 2.75Å; K583-E587 PolarHBondContact NZ-OE1 3.02Å; K583-E587 WeakPolarHBondContact O-CG 3.43Å; K583-E587 PolarHBondContact O-N 3.07Å; D584-E587 PolarHBondContact O-N 3.44Å; E587-K591 WeakPolarHBondContact O-CB 3.47Å; E587-K591 VanDerWaalsContact O-CD 3.3Å; E587-K591 WeakPolarHBondContact O-CD 3.39Å; E587-K591 WeakPolarHBondContact O-CG 3.28Å; E587-K591 PolarHBondContact O-N 3.07Å; E587-I599 HydrophobicContact CG-CB 4.18Å; E587-I599 HydrophobicContact CG-CD1 3.97Å; E587-I599 HydrophobicContact CG-CG1 3.86Å
588	A	91.9	Very high	90	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-47.8	173.3	0	0	0	0	0	111.5	D584 V585 L586 K591 C592 H619 I623	D584-A588 PolarHBondContact O-N 3.49Å; V585-A588 WeakPolarHBondContact O-CB 3.39Å; V585-A588 PolarHBondContact O-N 3.25Å; L586-A588 VanDerWaalsContact C-N 3.29Å; L586-A588 PolarHBondContact O-N 3.13Å; A588-K591 PolarHBondContact O-N 3.49Å; A588-C592 PolarHBondContact O-N 3.12Å; A588-C592 VanDerWaalsContact O-N 3.07Å; A588-C592 PolarHBondContact O-SG 3.39Å; A588-H619 HydrophobicContact CB-CB 3.95Å; A588-I623 HydrophobicContact CB-CD1 4.13Å
589	V	92.7	Very high	90.1	Very high	1 Å²	1	38 Å²	38	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-64.9	-45.3	-178.6	170.4	0	0	0	0	111.8	V563 F566 V585 L586 K591 C592 N593 V596 L608 A616	V563-V589 HydrophobicContact CG1-CG1 4.11Å; V563-V589 HydrophobicContact CG2-CG1 3.82Å; F566-V589 HydrophobicContact CD1-CG2 3.88Å; F566-V589 HydrophobicContact CE1-CG2 3.78Å; V585-V589 HydrophobicContact CG1-CG2 4.27Å; V585-V589 WeakPolarHBondContact O-CB 3.34Å; V585-V589 VanDerWaalsContact O-CG2 3.3Å; V585-V589 WeakPolarHBondContact O-CG2 3.38Å; V585-V589 PolarHBondContact O-N 3.27Å; L586-V589 PolarHBondContact O-N 3.43Å; V589-K591 VanDerWaalsContact C-N 3.26Å; V589-K591 PolarHBondContact O-N 3.4Å; V589-C592 PolarHBondContact O-N 3.28Å; V589-N593 PolarHBondContact O-N 2.83Å; V589-V596 HydrophobicContact CG1-CB 4.48Å; V589-V596 HydrophobicContact CG1-CG1 4.16Å; V589-V596 HydrophobicContact CG1-CG2 3.92Å; V589-L608 HydrophobicContact CG1-CD1 4.34Å; V589-L608 HydrophobicContact CG1-CD2 3.92Å; V589-A616 HydrophobicContact CG2-CB 3.89Å
590	C	91.2	Very high	90.3	Very high	20 Å²	20	41 Å²	41	14%	0.135	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-30.2	176.1	-63.7	0	0	0	0	112.9	L586 G597	L586-C590 WeakPolarHBondContact O-CB 3.23Å; L586-C590 PolarHBondContact O-N 3Å; L586-C590 PolarHBondContact O-SG 3.39Å; C590-G597 WeakPolarHBondContact CB-O 3.45Å; C590-G597 PolarHBondContact SG-O 3.03Å
591	K	87.4	Confident	90.2	Very high	123 Å²	123	48.9 Å²	48.9	54%	0.535	26%	0.258	S	S	.	.	H	α-helix	trans	-73.3	-29.4	172	-74.5	167.1	-172	161.4	0	113	E587 A588 V589	E587-K591 WeakPolarHBondContact O-CB 3.47Å; E587-K591 VanDerWaalsContact O-CD 3.3Å; E587-K591 WeakPolarHBondContact O-CD 3.39Å; E587-K591 WeakPolarHBondContact O-CG 3.28Å; E587-K591 PolarHBondContact O-N 3.07Å; A588-K591 PolarHBondContact O-N 3.49Å; V589-K591 VanDerWaalsContact C-N 3.26Å; V589-K591 PolarHBondContact O-N 3.4Å
592	C	86.7	Confident	90	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.02	26%	0.262	C	S	.	.	H	α-helix	trans	-81	-46.7	179.7	-61.4	0	0	0	0	111.2	K425 A588 V589 E615	K425-C592 PolarHBondContact NZ-O 3.19Å; A588-C592 PolarHBondContact O-N 3.12Å; A588-C592 VanDerWaalsContact O-N 3.07Å; A588-C592 PolarHBondContact O-SG 3.39Å; V589-C592 PolarHBondContact O-N 3.28Å; C592-E615 HydrophobicContact CB-CB 4.5Å; C592-E615 HydrophobicContact CB-CG 4.48Å
593	N	88.2	Confident	89.8	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.262	C	S	.	.			trans	-124.3	105.5	-176.9	-178	-12.6	0	0	0	110.9	V589 V595 V596 E607 L608	V589-N593 PolarHBondContact O-N 2.83Å; N593-V595 VanDerWaalsContact C-N 3.26Å; N593-V595 PolarHBondContact O-N 3.29Å; N593-V595 WeakPolarHBondContact OD1-CB 3.41Å; N593-V595 PolarHBondContact OD1-N 2.98Å; N593-V595 VanDerWaalsContact OD1-N 3.09Å; N593-V596 HydrophobicContact CB-CG2 3.86Å; N593-V596 WeakPolarHBondContact O-CB 3.31Å; N593-V596 WeakPolarHBondContact O-CG2 3.32Å; N593-V596 PolarHBondContact O-N 3.4Å; N593-E607 PolarHBondContact ND2-O 3.2Å; N593-L608 HydrophobicContact CB-CD2 4.29Å
594	P	86.1	Confident	89.6	Confident	48 Å²	48	47.6 Å²	47.6	31%	0.312	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-69.1	-19	-176.4	29.9	-36	0	0	0	113.8	H430 Q431 V596 G597	H430-P594 WeakPolarHBondContact CD2-CD 3.44Å; H430-P594 WeakPolarHBondContact NE2-CD 3.4Å; Q431-P594 HydrophobicContact CG-CG 4.14Å; P594-V596 PolarHBondContact O-N 3.45Å; P594-G597 PolarHBondContact O-N 2.9Å; P594-G597 VanDerWaalsContact O-N 3.13Å
595	V	85.6	Confident	89.4	Confident	61 Å²	61	50.8 Å²	50.8	37%	0.37	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-71.8	-14.7	176.6	-178.5	0	0	0	0	111.6	H430 N593 G597	H430-V595 WeakPolarHBondContact O-CG2 3.33Å; N593-V595 VanDerWaalsContact C-N 3.26Å; N593-V595 PolarHBondContact O-N 3.29Å; N593-V595 WeakPolarHBondContact OD1-CB 3.41Å; N593-V595 PolarHBondContact OD1-N 2.98Å; N593-V595 VanDerWaalsContact OD1-N 3.09Å; V595-G597 VanDerWaalsContact C-N 3.26Å; V595-G597 PolarHBondContact O-N 3.07Å
596	V	88.6	Confident	89.1	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-67.8	-26.6	170.5	-177.8	0	0	0	0	111.6	V563 V589 N593 P594 Y602 N603 A606 L608	V563-V596 HydrophobicContact CG2-CB 4.5Å; V563-V596 HydrophobicContact CG2-CG1 3.88Å; V563-V596 HydrophobicContact CG2-CG2 3.75Å; V589-V596 HydrophobicContact CG1-CB 4.48Å; V589-V596 HydrophobicContact CG1-CG1 4.16Å; V589-V596 HydrophobicContact CG1-CG2 3.92Å; N593-V596 HydrophobicContact CB-CG2 3.86Å; N593-V596 WeakPolarHBondContact O-CB 3.31Å; N593-V596 WeakPolarHBondContact O-CG2 3.32Å; N593-V596 PolarHBondContact O-N 3.4Å; P594-V596 PolarHBondContact O-N 3.45Å; V596-Y602 CarbonylContact O-C 3.39Å; V596-Y602 WeakPolarHBondContact O-CA 3.5Å; V596-Y602 WeakPolarHBondContact O-CB 3.26Å; V596-N603 PolarHBondContact O-N 2.95Å; V596-A606 HydrophobicContact CB-CB 4.39Å; V596-A606 HydrophobicContact CG2-CB 3.86Å; V596-L608 HydrophobicContact CG2-CD2 4.3Å
597	G	88.9	Confident	89	Confident	29 Å²	29	52.9 Å²	52.9	30%	0.299	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	98.6	-155.7	-176.8	0	0	0	0	0	113.6	C590 P594 V595 E601	C590-G597 WeakPolarHBondContact CB-O 3.45Å; C590-G597 PolarHBondContact SG-O 3.03Å; P594-G597 PolarHBondContact O-N 2.9Å; P594-G597 VanDerWaalsContact O-N 3.13Å; V595-G597 VanDerWaalsContact C-N 3.26Å; V595-G597 PolarHBondContact O-N 3.07Å; G597-E601 CarbonylContact C-O 3.58Å; G597-E601 WeakPolarHBondContact CA-O 3.39Å
598	T	89.6	Confident	89	Confident	72 Å²	72	50.5 Å²	50.5	44%	0.442	26%	0.264	S	S	.	.			trans	-102.5	177.6	178.8	78.6	0	0	0	0	111.4	E600 E601 Y602	T598-E600 WeakPolarHBondContact CB-OE2 3.23Å; T598-E600 PolarHBondContact O-N 3.24Å; T598-E600 PolarHBondContact OG1-N 3.35Å; T598-E600 PolarHBondContact OG1-OE2 3.5Å; T598-E601 PolarHBondContact N-O 2.85Å; T598-E601 CarbonylContact O-C 3.55Å; T598-E601 VanDerWaalsContact O-C 3.29Å; T598-E601 PolarHBondContact O-N 2.78Å; T598-E601 PolarHBondContact OG1-N 2.8Å; T598-Y602 WeakPolarHBondContact O-CB 3.11Å; T598-Y602 PolarHBondContact O-N 2.8Å
599	I	87.3	Confident	89	Confident	41 Å²	41	50.6 Å²	50.6	21%	0.21	27%	0.265	C	S	.	.	S	Bend	trans	-71.8	-22.9	178	-169.5	58.3	0	0	0	112.3	K583 L586 E587	K583-I599 HydrophobicContact CG-CD1 3.93Å; K583-I599 HydrophobicContact CG-CG1 4.01Å; L586-I599 HydrophobicContact CB-CD1 3.41Å; L586-I599 VanDerWaalsContact CB-CD1 3.41Å; L586-I599 HydrophobicContact CD1-CD1 4.22Å; L586-I599 HydrophobicContact CG-CD1 4.46Å; E587-I599 HydrophobicContact CG-CB 4.18Å; E587-I599 HydrophobicContact CG-CD1 3.97Å; E587-I599 HydrophobicContact CG-CG1 3.86Å
600	E	89	Confident	89	Confident	147 Å²	147	51 Å²	51	69%	0.687	27%	0.267	S	S	*	.	S	Bend	trans	-78	-42.5	173.4	-56.3	74.1	-161.4	0	0	111.7	T598	T598-E600 WeakPolarHBondContact CB-OE2 3.23Å; T598-E600 PolarHBondContact O-N 3.24Å; T598-E600 PolarHBondContact OG1-N 3.35Å; T598-E600 PolarHBondContact OG1-OE2 3.5Å
601	E	88.8	Confident	89.1	Confident	166 Å²	166	50.4 Å²	50.4	78%	0.776	26%	0.262	S	S	*	.	S	Bend	trans	-132.2	90.4	-176	-65.7	-176.9	178.2	0	0	109.9	G597 T598	G597-E601 CarbonylContact C-O 3.58Å; G597-E601 WeakPolarHBondContact CA-O 3.39Å; T598-E601 PolarHBondContact N-O 2.85Å; T598-E601 CarbonylContact O-C 3.55Å; T598-E601 VanDerWaalsContact O-C 3.29Å; T598-E601 PolarHBondContact O-N 2.78Å; T598-E601 PolarHBondContact OG1-N 2.8Å
602	Y	88.8	Confident	89.4	Confident	102 Å²	102	44.6 Å²	44.6	40%	0.4	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-116.6	143.7	178.1	64.9	-81.9	0	0	0	113.8	L586 V596 T598	L586-Y602 HydrophobicContact CD1-CD1 4.4Å; L586-Y602 HydrophobicContact CD1-CE1 3.83Å; L586-Y602 HydrophobicContact CD1-CE2 3.99Å; L586-Y602 HydrophobicContact CD2-CD2 3.69Å; L586-Y602 HydrophobicContact CD2-CE2 3.69Å; L586-Y602 HydrophobicContact CD2-CG 4.16Å; V596-Y602 CarbonylContact O-C 3.39Å; V596-Y602 WeakPolarHBondContact O-CA 3.5Å; V596-Y602 WeakPolarHBondContact O-CB 3.26Å; T598-Y602 WeakPolarHBondContact O-CB 3.11Å; T598-Y602 PolarHBondContact O-N 2.8Å
603	N	89.2	Confident	89.8	Confident	82 Å²	82	44.5 Å²	44.5	44%	0.439	24%	0.236	S	C	.	.			trans	-89.5	102.4	169.8	-177.6	4.1	0	0	0	110.9	V596 D605 A606	V596-N603 PolarHBondContact O-N 2.95Å; N603-D605 PolarHBondContact O-N 3.37Å; N603-D605 WeakPolarHBondContact OD1-CA 3.49Å; N603-D605 WeakPolarHBondContact OD1-CB 3.4Å; N603-D605 PolarHBondContact OD1-N 3.2Å; N603-A606 HydrophobicContact CB-CB 4.22Å; N603-A606 VanDerWaalsContact O-CB 3.25Å; N603-A606 WeakPolarHBondContact O-CB 3.35Å; N603-A606 PolarHBondContact O-N 3Å; N603-A606 VanDerWaalsContact O-N 3.1Å; N603-A606 PolarHBondContact OD1-N 2.89Å
604	S	88.9	Confident	90.1	Very high	29 Å²	29	44.4 Å²	44.4	20%	0.203	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.4	176.4	65.6	0	0	0	0	114.9	R564	R564-S604 VanDerWaalsContact CB-O 3.29Å; R564-S604 WeakPolarHBondContact CB-O 3.34Å; R564-S604 PolarHBondContact N-O 3.15Å; R564-S604 PolarHBondContact NH2-OG 2.98Å
605	D	88.6	Confident	90.5	Very high	84 Å²	84	42.2 Å²	42.2	45%	0.449	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.1	173.8	-72.8	-74.8	0	0	0	113.4	T562 R564 N603	T562-D605 WeakPolarHBondContact CG2-O 3.13Å; R564-D605 IonicContact CZ-OD1 2.71Å; R564-D605 IonicContact CZ-OD2 3.64Å; R564-D605 IonicContact NH1-OD1 2.68Å; R564-D605 PolarHBondContact NH1-OD1 2.87Å; R564-D605 IonicContact NH1-OD2 3.65Å; R564-D605 PolarHBondContact NH1-OD2 3.04Å; R564-D605 VanDerWaalsContact NH1-OD2 3.16Å; R564-D605 IonicContact NH2-OD1 2.66Å; R564-D605 IonicContact NH2-OD2 3.53Å; R564-D605 PolarHBondContact NH2-OD2 3.42Å; N603-D605 PolarHBondContact O-N 3.37Å; N603-D605 WeakPolarHBondContact OD1-CA 3.49Å; N603-D605 WeakPolarHBondContact OD1-CB 3.4Å; N603-D605 PolarHBondContact OD1-N 3.2Å
606	A	88.9	Confident	90.9	Very high	7 Å²	7	39.3 Å²	39.3	6%	0.058	20%	0.204	C	C	.	.			trans	-58.4	140.3	175	0	0	0	0	0	111.5	T562 V563 V596 N603	T562-A606 CarbonylContact C-O 3.44Å; T562-A606 VanDerWaalsContact CA-O 3.28Å; T562-A606 WeakPolarHBondContact CA-O 3.47Å; V563-A606 HydrophobicContact CG2-CB 4.18Å; V563-A606 PolarHBondContact N-O 2.67Å; V596-A606 HydrophobicContact CB-CB 4.39Å; V596-A606 HydrophobicContact CG2-CB 3.86Å; N603-A606 HydrophobicContact CB-CB 4.22Å; N603-A606 VanDerWaalsContact O-CB 3.25Å; N603-A606 WeakPolarHBondContact O-CB 3.35Å; N603-A606 PolarHBondContact O-N 3Å; N603-A606 VanDerWaalsContact O-N 3.1Å; N603-A606 PolarHBondContact OD1-N 2.89Å
607	E	90.2	Very high	91.2	Very high	42 Å²	42	39.3 Å²	39.3	20%	0.196	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	135.7	-178.7	-63.9	-176.3	90.6	0	0	111.8	A436 R440 P558 T560 N593	A436-E607 HydrophobicContact CB-CB 3.75Å; R440-E607 IonicContact CZ-OE1 2.8Å; R440-E607 IonicContact CZ-OE2 2.68Å; R440-E607 IonicContact NH1-OE1 2.72Å; R440-E607 PolarHBondContact NH1-OE1 3.21Å; R440-E607 IonicContact NH1-OE2 3.95Å; R440-E607 PolarHBondContact NH1-OE2 2.66Å; R440-E607 IonicContact NH2-OE2 2.68Å; R440-E607 PolarHBondContact NH2-OE2 2.97Å; P558-E607 WeakPolarHBondContact CB-OE1 2.97Å; T560-E607 HydrophobicContact CG2-CB 4.17Å; T560-E607 WeakPolarHBondContact CG2-OE1 3.24Å; T560-E607 WeakPolarHBondContact OG1-CG 3.17Å; T560-E607 PolarHBondContact OG1-OE1 2.61Å; N593-E607 PolarHBondContact ND2-O 3.2Å
608	L	91.5	Very high	91.4	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.3	168.9	-55.5	179.2	0	0	0	108	Y540 T560 M561 V563 F566 V589 N593 V596 D612	Y540-L608 PolarHBondContact OH-O 2.94Å; T560-L608 VanDerWaalsContact CB-O 3.29Å; T560-L608 WeakPolarHBondContact CB-O 3.22Å; M561-L608 HydrophobicContact CG-CB 4.25Å; M561-L608 PolarHBondContact N-O 2.84Å; M561-L608 VanDerWaalsContact N-O 3.08Å; M561-L608 WeakPolarHBondContact O-CA 3.23Å; M561-L608 WeakPolarHBondContact O-CB 3.3Å; M561-L608 PolarHBondContact O-N 2.77Å; V563-L608 HydrophobicContact CG2-CD1 4.2Å; V563-L608 HydrophobicContact CG2-CD2 3.99Å; V563-L608 HydrophobicContact CG2-CG 4.06Å; F566-L608 HydrophobicContact CB-CD1 3.99Å; F566-L608 HydrophobicContact CD1-CD1 4.19Å; F566-L608 HydrophobicContact CG-CD1 4.22Å; V589-L608 HydrophobicContact CG1-CD1 4.34Å; V589-L608 HydrophobicContact CG1-CD2 3.92Å; N593-L608 HydrophobicContact CB-CD2 4.29Å; V596-L608 HydrophobicContact CG2-CD2 4.3Å; L608-D612 HydrophobicContact CB-CB 3.98Å; L608-D612 HydrophobicContact CD2-CB 3.93Å
609	T	92.1	Very high	91.5	Very high	2 Å²	2	36 Å²	36	1%	0.012	18%	0.175	C	C	.	.			trans	-70	175.1	166.1	65	0	0	0	0	110.5	L435 A436 D439 Y540 F611 D612 F613	L435-T609 HydrophobicContact CB-CG2 4.04Å; L435-T609 HydrophobicContact CD2-CG2 4.45Å; L435-T609 HydrophobicContact CG-CG2 4.04Å; A436-T609 HydrophobicContact CB-CG2 3.99Å; D439-T609 WeakPolarHBondContact OD2-CG2 3.49Å; Y540-T609 VanDerWaalsContact OH-C 3.26Å; T609-F611 PolarHBondContact O-N 2.75Å; T609-F611 PolarHBondContact OG1-N 3.15Å; T609-D612 WeakPolarHBondContact CB-OD2 3.04Å; T609-D612 WeakPolarHBondContact CG2-OD2 3.45Å; T609-D612 PolarHBondContact N-OD2 3.28Å; T609-D612 PolarHBondContact O-N 3.07Å; T609-D612 VanDerWaalsContact OG1-CG 3.31Å; T609-D612 PolarHBondContact OG1-N 2.88Å; T609-D612 VanDerWaalsContact OG1-N 3.17Å; T609-D612 PolarHBondContact OG1-OD2 3.26Å; T609-F613 WeakPolarHBondContact O-CB 3.4Å; T609-F613 PolarHBondContact O-N 3.48Å
610	F	93.5	Very high	91.7	Very high	11 Å²	11	34 Å²	34	5%	0.048	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-39.1	169.1	171.4	-106.6	0	0	0	111.7	V456 P459 L533 L536 Y537 Y540 F613 F614	V456-F610 HydrophobicContact CG1-CB 4.17Å; P459-F610 HydrophobicContact CB-CD1 3.9Å; P459-F610 HydrophobicContact CB-CE1 3.62Å; P459-F610 HydrophobicContact CG-CD1 3.94Å; P459-F610 HydrophobicContact CG-CE1 3.55Å; P459-F610 HydrophobicContact CG-CZ 4.36Å; L533-F610 HydrophobicContact CD1-CE1 3.8Å; L533-F610 HydrophobicContact CD1-CZ 4.09Å; L536-F610 HydrophobicContact CB-CE2 4.24Å; Y537-F610 VanDerWaalsContact CA-CE2 3.43Å; Y537-F610 HydrophobicContact CD2-CD1 4.33Å; Y537-F610 HydrophobicContact CD2-CD2 4.36Å; Y537-F610 HydrophobicContact CD2-CG 4.18Å; Y540-F610 HydrophobicContact CD1-CB 4.02Å; Y540-F610 HydrophobicContact CD1-CD2 4.19Å; Y540-F610 HydrophobicContact CD2-CD2 4.1Å; Y540-F610 HydrophobicContact CE1-CB 4Å; Y540-F610 HydrophobicContact CE2-CB 4.46Å; Y540-F610 HydrophobicContact CG-CB 4.28Å; Y540-F610 AromaticContact CG-CD2 3.75Å; Y540-F610 HydrophobicContact CG-CD2 3.75Å; Y540-F610 HydrophobicContact CG-CG 4.5Å; Y540-F610 PolarHBondContact OH-N 3.38Å; F610-F613 HydrophobicContact CD2-CD1 4.01Å; F610-F613 HydrophobicContact CD2-CE1 4.48Å; F610-F613 HydrophobicContact CE2-CD1 4.13Å; F610-F613 HydrophobicContact CE2-CE1 4.32Å; F610-F613 PolarHBondContact O-N 3.45Å; F610-F614 HydrophobicContact CE1-CB 4.28Å; F610-F614 HydrophobicContact CE1-CG 4.47Å; F610-F614 HydrophobicContact CE2-CB 4.17Å; F610-F614 HydrophobicContact CZ-CB 3.96Å; F610-F614 HydrophobicContact CZ-CD2 4.01Å; F610-F614 HydrophobicContact CZ-CG 4.08Å; F610-F614 VanDerWaalsContact O-CB 3.22Å; F610-F614 WeakPolarHBondContact O-CB 3.48Å; F610-F614 PolarHBondContact O-N 3.31Å
611	F	93.8	Very high	91.8	Very high	6 Å²	6	27 Å²	27	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-64.6	-46.5	179.8	-173.7	-91.5	0	0	0	111.9	V418 C421 Q422 K425 L435 L519 T609 F613 F614 E615	V418-F611 HydrophobicContact CG2-CD2 3.9Å; V418-F611 HydrophobicContact CG2-CE2 3.95Å; V418-F611 VanDerWaalsContact O-CE2 3.27Å; V418-F611 WeakPolarHBondContact O-CE2 3.29Å; C421-F611 HydrophobicContact CB-CB 4.01Å; C421-F611 HydrophobicContact CB-CD1 3.96Å; C421-F611 HydrophobicContact CB-CD2 3.28Å; C421-F611 HydrophobicContact CB-CE1 4.26Å; C421-F611 HydrophobicContact CB-CE2 3.63Å; C421-F611 HydrophobicContact CB-CG 3.46Å; C421-F611 VanDerWaalsContact CB-CG 3.46Å; C421-F611 HydrophobicContact CB-CZ 4.11Å; Q422-F611 HydrophobicContact CB-CE2 4.43Å; Q422-F611 HydrophobicContact CB-CZ 4.17Å; K425-F611 HydrophobicContact CD-CE1 4.13Å; L435-F611 HydrophobicContact CD2-CB 3.84Å; L435-F611 HydrophobicContact CD2-CD1 3.72Å; L435-F611 HydrophobicContact CD2-CG 4.06Å; L519-F611 HydrophobicContact CD1-CD2 4.47Å; L519-F611 HydrophobicContact CD1-CE2 3.69Å; L519-F611 HydrophobicContact CD1-CZ 3.75Å; T609-F611 PolarHBondContact O-N 2.75Å; T609-F611 PolarHBondContact OG1-N 3.15Å; F611-F613 VanDerWaalsContact C-N 3.33Å; F611-F613 PolarHBondContact O-N 3.32Å; F611-F614 PolarHBondContact O-N 3.31Å; F611-E615 WeakPolarHBondContact O-CB 3.36Å; F611-E615 PolarHBondContact O-N 3.36Å
612	D	93.7	Very high	91.7	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.011	11%	0.107	C	C	.	.	H	α-helix	trans	-61.4	-42.5	177.1	-57	-66.3	0	0	0	111.5	L608 T609 A616	L608-D612 HydrophobicContact CB-CB 3.98Å; L608-D612 HydrophobicContact CD2-CB 3.93Å; T609-D612 WeakPolarHBondContact CB-OD2 3.04Å; T609-D612 WeakPolarHBondContact CG2-OD2 3.45Å; T609-D612 PolarHBondContact N-OD2 3.28Å; T609-D612 PolarHBondContact O-N 3.07Å; T609-D612 VanDerWaalsContact OG1-CG 3.31Å; T609-D612 PolarHBondContact OG1-N 2.88Å; T609-D612 VanDerWaalsContact OG1-N 3.17Å; T609-D612 PolarHBondContact OG1-OD2 3.26Å; D612-A616 WeakPolarHBondContact O-CB 3.33Å; D612-A616 PolarHBondContact O-N 2.88Å
613	F	94.5	Very high	91.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.6	-46.4	176.6	160.3	-93.4	0	0	0	112.4	Y540 M561 F566 T609 F610 F611 A616 L617 F747	Y540-F613 HydrophobicContact CD2-CB 3.85Å; Y540-F613 AromaticContact CD2-CD1 3.44Å; Y540-F613 HydrophobicContact CD2-CD1 3.44Å; Y540-F613 VanDerWaalsContact CD2-CD1 3.44Å; Y540-F613 HydrophobicContact CD2-CD2 4.02Å; Y540-F613 AromaticContact CD2-CE1 3.88Å; Y540-F613 HydrophobicContact CD2-CE1 3.88Å; Y540-F613 HydrophobicContact CD2-CE2 4.4Å; Y540-F613 AromaticContact CD2-CG 3.51Å; Y540-F613 HydrophobicContact CD2-CG 3.51Å; Y540-F613 HydrophobicContact CD2-CZ 4.32Å; Y540-F613 HydrophobicContact CE2-CB 3.7Å; Y540-F613 HydrophobicContact CE2-CD1 4.2Å; Y540-F613 HydrophobicContact CE2-CD2 4.42Å; Y540-F613 AromaticContact CE2-CG 3.88Å; Y540-F613 HydrophobicContact CE2-CG 3.88Å; Y540-F613 HydrophobicContact CG-CD1 4.25Å; Y540-F613 HydrophobicContact CG-CE1 4.41Å; M561-F613 HydrophobicContact CE-CD2 3.97Å; M561-F613 HydrophobicContact CE-CE2 4.06Å; M561-F613 HydrophobicContact SD-CD2 3.61Å; M561-F613 HydrophobicContact SD-CE2 4.1Å; M561-F613 HydrophobicContact SD-CG 4.43Å; F566-F613 AromaticContact CD2-CD2 3.62Å; F566-F613 HydrophobicContact CD2-CD2 3.62Å; F566-F613 AromaticContact CD2-CE2 3.89Å; F566-F613 HydrophobicContact CD2-CE2 3.89Å; F566-F613 AromaticContact CE2-CD2 3.54Å; F566-F613 HydrophobicContact CE2-CD2 3.54Å; F566-F613 AromaticContact CE2-CE2 3.71Å; F566-F613 HydrophobicContact CE2-CE2 3.71Å; T609-F613 WeakPolarHBondContact O-CB 3.4Å; T609-F613 PolarHBondContact O-N 3.48Å; F610-F613 HydrophobicContact CD2-CD1 4.01Å; F610-F613 HydrophobicContact CD2-CE1 4.48Å; F610-F613 HydrophobicContact CE2-CD1 4.13Å; F610-F613 HydrophobicContact CE2-CE1 4.32Å; F610-F613 PolarHBondContact O-N 3.45Å; F611-F613 VanDerWaalsContact C-N 3.33Å; F611-F613 PolarHBondContact O-N 3.32Å; F613-A616 PolarHBondContact O-N 2.6Å; F613-L617 HydrophobicContact CD1-CD1 4.29Å; F613-L617 HydrophobicContact CD2-CD1 4.48Å; F613-L617 HydrophobicContact CE1-CD1 3.64Å; F613-L617 HydrophobicContact CE2-CD1 3.86Å; F613-L617 HydrophobicContact CE2-CG 4.3Å; F613-L617 HydrophobicContact CZ-CD1 3.41Å; F613-L617 VanDerWaalsContact CZ-CD1 3.41Å; F613-L617 HydrophobicContact CZ-CG 4.32Å; F613-L617 PolarHBondContact O-N 3.04Å; F613-F747 HydrophobicContact CE2-CE2 4.38Å; F613-F747 AromaticContact CE2-CZ 3.84Å; F613-F747 HydrophobicContact CE2-CZ 3.84Å; F613-F747 AromaticContact CZ-CE1 3.86Å; F613-F747 HydrophobicContact CZ-CE1 3.86Å; F613-F747 HydrophobicContact CZ-CE2 4.41Å; F613-F747 AromaticContact CZ-CZ 3.54Å; F613-F747 HydrophobicContact CZ-CZ 3.54Å
614	F	95.2	Very high	91.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.7	-48.1	179.9	179.9	-113.2	0	0	0	110.4	L519 I529 L533 L536 F610 F611 A616 L617 I618	L519-F614 HydrophobicContact CD1-CD1 3.99Å; L519-F614 HydrophobicContact CD1-CE1 4.19Å; L519-F614 HydrophobicContact CD2-CD1 3.86Å; L519-F614 HydrophobicContact CD2-CE1 3.74Å; I529-F614 HydrophobicContact CG2-CE1 3.7Å; I529-F614 HydrophobicContact CG2-CE2 4.44Å; I529-F614 HydrophobicContact CG2-CZ 3.42Å; I529-F614 VanDerWaalsContact CG2-CZ 3.42Å; L533-F614 HydrophobicContact CB-CZ 4.28Å; L533-F614 HydrophobicContact CD1-CD1 4.19Å; L533-F614 HydrophobicContact CD1-CE1 3.77Å; L533-F614 HydrophobicContact CD1-CE2 4.15Å; L533-F614 HydrophobicContact CD1-CZ 3.74Å; L536-F614 HydrophobicContact CB-CD2 4.33Å; L536-F614 HydrophobicContact CD1-CD2 3.79Å; L536-F614 HydrophobicContact CD1-CE2 3.84Å; F610-F614 HydrophobicContact CE1-CB 4.28Å; F610-F614 HydrophobicContact CE1-CG 4.47Å; F610-F614 HydrophobicContact CE2-CB 4.17Å; F610-F614 HydrophobicContact CZ-CB 3.96Å; F610-F614 HydrophobicContact CZ-CD2 4.01Å; F610-F614 HydrophobicContact CZ-CG 4.08Å; F610-F614 VanDerWaalsContact O-CB 3.22Å; F610-F614 WeakPolarHBondContact O-CB 3.48Å; F610-F614 PolarHBondContact O-N 3.31Å; F611-F614 PolarHBondContact O-N 3.31Å; F614-A616 PolarHBondContact O-N 2.77Å; F614-L617 PolarHBondContact O-N 3.33Å; F614-I618 WeakPolarHBondContact O-CG1 3.15Å; F614-I618 PolarHBondContact O-N 3.11Å; F614-I618 VanDerWaalsContact O-N 3.1Å
615	E	94.2	Very high	91.1	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.009	8%	0.076	C	C	.	.	H	α-helix	trans	-63.1	-41.4	176.2	-165.3	-178	-174.4	0	0	112.2	K425 G517 V518 L519 C592 F611 L617 I618 H619	K425-E615 IonicContact NZ-OE1 3.39Å; K425-E615 PolarHBondContact NZ-OE1 3.47Å; K425-E615 IonicContact NZ-OE2 2.7Å; K425-E615 PolarHBondContact NZ-OE2 3.09Å; G517-E615 WeakPolarHBondContact CA-OE1 3.26Å; V518-E615 HydrophobicContact CG2-CG 3.83Å; V518-E615 PolarHBondContact N-OE1 3.3Å; L519-E615 HydrophobicContact CD1-CB 4.32Å; L519-E615 HydrophobicContact CD1-CG 4.43Å; L519-E615 HydrophobicContact CD2-CB 4.49Å; L519-E615 HydrophobicContact CD2-CG 4.4Å; L519-E615 HydrophobicContact CG-CB 4.41Å; L519-E615 HydrophobicContact CG-CG 4.11Å; C592-E615 HydrophobicContact CB-CB 4.5Å; C592-E615 HydrophobicContact CB-CG 4.48Å; F611-E615 WeakPolarHBondContact O-CB 3.36Å; F611-E615 PolarHBondContact O-N 3.36Å; E615-L617 VanDerWaalsContact C-N 3.34Å; E615-L617 PolarHBondContact O-N 3.07Å; E615-I618 PolarHBondContact O-N 3.31Å; E615-H619 WeakPolarHBondContact O-CB 3.3Å; E615-H619 PolarHBondContact O-N 3.18Å
616	A	94.1	Very high	90.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.5	-38.1	176.5	0	0	0	0	0	112.5	F566 V589 D612 F613 F614 H619 C620	F566-A616 HydrophobicContact CE1-CB 3.87Å; F566-A616 HydrophobicContact CZ-CB 4Å; V589-A616 HydrophobicContact CG2-CB 3.89Å; D612-A616 WeakPolarHBondContact O-CB 3.33Å; D612-A616 PolarHBondContact O-N 2.88Å; F613-A616 PolarHBondContact O-N 2.6Å; F614-A616 PolarHBondContact O-N 2.77Å; A616-H619 PolarHBondContact O-N 3.01Å; A616-C620 PolarHBondContact O-N 3.28Å; A616-C620 PolarHBondContact O-SG 2.86Å
617	L	94.5	Very high	90	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.7	-46.7	173.7	-78.1	178.6	0	0	0	112.1	L536 F566 L570 F613 F614 E615 H619 C620 T621 F743 L744 F747	L536-L617 HydrophobicContact CD1-CD1 4.25Å; L536-L617 HydrophobicContact CD2-CD1 3.9Å; F566-L617 HydrophobicContact CE2-CD2 3.9Å; F566-L617 HydrophobicContact CE2-CG 4.1Å; F566-L617 HydrophobicContact CZ-CD2 4Å; F566-L617 HydrophobicContact CZ-CG 4.2Å; L570-L617 HydrophobicContact CD2-CD2 4.09Å; F613-L617 HydrophobicContact CD1-CD1 4.29Å; F613-L617 HydrophobicContact CD2-CD1 4.48Å; F613-L617 HydrophobicContact CE1-CD1 3.64Å; F613-L617 HydrophobicContact CE2-CD1 3.86Å; F613-L617 HydrophobicContact CE2-CG 4.3Å; F613-L617 HydrophobicContact CZ-CD1 3.41Å; F613-L617 VanDerWaalsContact CZ-CD1 3.41Å; F613-L617 HydrophobicContact CZ-CG 4.32Å; F613-L617 PolarHBondContact O-N 3.04Å; F614-L617 PolarHBondContact O-N 3.33Å; E615-L617 VanDerWaalsContact C-N 3.34Å; E615-L617 PolarHBondContact O-N 3.07Å; L617-H619 VanDerWaalsContact C-N 3.29Å; L617-H619 PolarHBondContact O-N 3.27Å; L617-C620 WeakPolarHBondContact O-CB 3.19Å; L617-C620 PolarHBondContact O-N 3.27Å; L617-C620 VanDerWaalsContact O-N 3.14Å; L617-T621 WeakPolarHBondContact O-CG2 3.5Å; L617-T621 PolarHBondContact O-N 3.19Å; L617-T621 VanDerWaalsContact O-N 3.15Å; L617-F743 HydrophobicContact CD2-CE1 4.07Å; L617-L744 HydrophobicContact CB-CD2 4.25Å; L617-F747 HydrophobicContact CD1-CD1 4.43Å; L617-F747 HydrophobicContact CD1-CE1 4.32Å; L617-F747 HydrophobicContact CD1-CE2 4.44Å; L617-F747 HydrophobicContact CD1-CZ 4.35Å; L617-F747 HydrophobicContact CD2-CD2 4.01Å; L617-F747 HydrophobicContact CD2-CE2 4.15Å
618	I	93.8	Very high	88.7	Confident	2 Å²	2	23 Å²	23	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-62	-39.1	174.7	-59.2	-50.6	0	0	0	110.6	V518 L519 I529 F614 E615 C620 T621 L622 M740 L744	V518-I618 HydrophobicContact CG2-CB 4.18Å; V518-I618 HydrophobicContact CG2-CG2 3.82Å; L519-I618 HydrophobicContact CD2-CB 4.21Å; L519-I618 HydrophobicContact CD2-CG1 3.83Å; L519-I618 HydrophobicContact CD2-CG2 4.47Å; I529-I618 HydrophobicContact CD1-CG2 3.86Å; I529-I618 HydrophobicContact CG1-CD1 4.17Å; I529-I618 HydrophobicContact CG1-CG1 4.42Å; I529-I618 HydrophobicContact CG1-CG2 4.28Å; I529-I618 HydrophobicContact CG2-CD1 4.16Å; I529-I618 HydrophobicContact CG2-CG1 4.1Å; F614-I618 WeakPolarHBondContact O-CG1 3.15Å; F614-I618 PolarHBondContact O-N 3.11Å; F614-I618 VanDerWaalsContact O-N 3.1Å; E615-I618 PolarHBondContact O-N 3.31Å; I618-C620 VanDerWaalsContact C-N 3.27Å; I618-C620 PolarHBondContact O-N 2.87Å; I618-T621 PolarHBondContact O-N 3.36Å; I618-T621 PolarHBondContact O-OG1 2.87Å; I618-L622 WeakPolarHBondContact O-CG 3.25Å; I618-L622 PolarHBondContact O-N 3.24Å; I618-M740 HydrophobicContact CD1-SD 4.1Å; I618-M740 HydrophobicContact CG2-SD 4.37Å; I618-L744 HydrophobicContact CD1-CD1 3.8Å; I618-L744 HydrophobicContact CD1-CD2 4.47Å
619	H	91.7	Very high	86.6	Confident	30 Å²	30	29.1 Å²	29.1	14%	0.139	14%	0.144	C	C	.	.	H	α-helix	trans	-68.1	-27.4	177.2	-157.3	-42	0	0	0	112.3	V518 A588 E615 A616 L617 I623	V518-H619 HydrophobicContact CG2-CB 4.44Å; A588-H619 HydrophobicContact CB-CB 3.95Å; E615-H619 WeakPolarHBondContact O-CB 3.3Å; E615-H619 PolarHBondContact O-N 3.18Å; A616-H619 PolarHBondContact O-N 3.01Å; L617-H619 VanDerWaalsContact C-N 3.29Å; L617-H619 PolarHBondContact O-N 3.27Å; H619-I623 WeakPolarHBondContact O-CG1 3.44Å; H619-I623 PolarHBondContact O-N 2.79Å
620	C	91.8	Very high	83.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.8	-36.8	170.5	-68.3	0	0	0	0	113	L580 A616 L617 I618 L622 I623 L624 F743	L580-C620 HydrophobicContact CD1-CB 4.1Å; L580-C620 HydrophobicContact CD2-CB 4.04Å; A616-C620 PolarHBondContact O-N 3.28Å; A616-C620 PolarHBondContact O-SG 2.86Å; L617-C620 WeakPolarHBondContact O-CB 3.19Å; L617-C620 PolarHBondContact O-N 3.27Å; L617-C620 VanDerWaalsContact O-N 3.14Å; I618-C620 VanDerWaalsContact C-N 3.27Å; I618-C620 PolarHBondContact O-N 2.87Å; C620-L622 VanDerWaalsContact C-N 3.34Å; C620-I623 PolarHBondContact O-N 3.46Å; C620-L624 PolarHBondContact O-N 3.26Å; C620-L624 VanDerWaalsContact O-N 3.11Å; C620-F743 HydrophobicContact CB-CE1 4.22Å; C620-F743 HydrophobicContact CB-CZ 4.1Å
621	T	89	Confident	80.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-40.8	176.2	71.3	0	0	0	0	111.2	L617 I618 I623 L624 M625 F743 L744	L617-T621 WeakPolarHBondContact O-CG2 3.5Å; L617-T621 PolarHBondContact O-N 3.19Å; L617-T621 VanDerWaalsContact O-N 3.15Å; I618-T621 PolarHBondContact O-N 3.36Å; I618-T621 PolarHBondContact O-OG1 2.87Å; T621-I623 PolarHBondContact O-N 3.15Å; T621-L624 WeakPolarHBondContact O-CB 3.35Å; T621-L624 PolarHBondContact O-N 3.26Å; T621-M625 PolarHBondContact O-N 3.45Å; T621-F743 HydrophobicContact CG2-CB 3.97Å; T621-F743 HydrophobicContact CG2-CD1 3.47Å; T621-F743 VanDerWaalsContact CG2-CD1 3.47Å; T621-F743 HydrophobicContact CG2-CE1 4.21Å; T621-F743 HydrophobicContact CG2-CG 3.97Å; T621-L744 HydrophobicContact CG2-CD2 4.22Å; T621-L744 HydrophobicContact CG2-CG 4.28Å
622	L	86.9	Confident	77.8	Confident	48 Å²	48	46.2 Å²	46.2	25%	0.251	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-40.8	175.9	-65.7	172.7	0	0	0	112.4	V518 I618 C620 M625 L626	V518-L622 HydrophobicContact CB-CD1 3.85Å; V518-L622 HydrophobicContact CG1-CD1 3.67Å; V518-L622 HydrophobicContact CG2-CD1 4.36Å; I618-L622 WeakPolarHBondContact O-CG 3.25Å; I618-L622 PolarHBondContact O-N 3.24Å; C620-L622 VanDerWaalsContact C-N 3.34Å; L622-M625 WeakPolarHBondContact O-CB 3.33Å; L622-M625 PolarHBondContact O-N 2.7Å; L622-L626 WeakPolarHBondContact O-CG 3.46Å; L622-L626 PolarHBondContact O-N 2.7Å; L622-L626 VanDerWaalsContact O-N 3.08Å
623	I	87.5	Confident	74.8	Confident	19 Å²	19	51.5 Å²	51.5	10%	0.097	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-39.9	176.5	-63.7	167.2	0	0	0	111.3	L580 D584 A588 H619 C620 T621 M625 L626 K627	L580-I623 HydrophobicContact CD1-CB 4.46Å; L580-I623 HydrophobicContact CD1-CG2 4.43Å; D584-I623 HydrophobicContact CB-CD1 4.16Å; D584-I623 HydrophobicContact CB-CG2 4.05Å; D584-I623 WeakPolarHBondContact O-CD1 3.27Å; A588-I623 HydrophobicContact CB-CD1 4.13Å; H619-I623 WeakPolarHBondContact O-CG1 3.44Å; H619-I623 PolarHBondContact O-N 2.79Å; C620-I623 PolarHBondContact O-N 3.46Å; T621-I623 PolarHBondContact O-N 3.15Å; I623-M625 PolarHBondContact O-N 3.48Å; I623-L626 PolarHBondContact O-N 3.28Å; I623-K627 HydrophobicContact CG2-CD 4.2Å; I623-K627 PolarHBondContact O-N 3.12Å; I623-K627 VanDerWaalsContact O-N 3.17Å
624	L	85.7	Confident	71.7	Confident	23 Å²	23	59 Å²	59	12%	0.12	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-30.5	175.8	-82	171.1	0	0	0	113.2	K579 L580 C620 T621 K628 F743	K579-L624 HydrophobicContact CB-CD2 3.79Å; L580-L624 HydrophobicContact CB-CD1 4.49Å; L580-L624 HydrophobicContact CB-CD2 3.79Å; L580-L624 HydrophobicContact CB-CG 4.06Å; L580-L624 HydrophobicContact CD2-CD1 4.26Å; C620-L624 PolarHBondContact O-N 3.26Å; C620-L624 VanDerWaalsContact O-N 3.11Å; T621-L624 WeakPolarHBondContact O-CB 3.35Å; T621-L624 PolarHBondContact O-N 3.26Å; L624-K628 PolarHBondContact O-N 3.3Å; L624-F743 HydrophobicContact CD1-CD2 3.28Å; L624-F743 HydrophobicContact CD1-CE2 3.55Å; L624-F743 HydrophobicContact CD1-CG 4.08Å
625	M	81.2	Confident	68.7	Low	34 Å²	34	61.2 Å²	61.2	17%	0.167	31%	0.311	C	S	.	.	H	α-helix	trans	-71.7	-52.3	172.7	-73.3	-172.8	64.7	0	0	112.4	T621 L622 I623 K627 K628 W736 C739	T621-M625 PolarHBondContact O-N 3.45Å; L622-M625 WeakPolarHBondContact O-CB 3.33Å; L622-M625 PolarHBondContact O-N 2.7Å; I623-M625 PolarHBondContact O-N 3.48Å; M625-K627 PolarHBondContact O-N 2.94Å; M625-K628 WeakPolarHBondContact O-CB 3.36Å; M625-K628 PolarHBondContact O-N 2.91Å; M625-W736 VanDerWaalsContact CE-CA 3.45Å; M625-W736 HydrophobicContact CE-CB 3.65Å; M625-W736 HydrophobicContact CE-CG 4.03Å; M625-W736 HydrophobicContact SD-CB 3.98Å; M625-W736 HydrophobicContact SD-CG 3.81Å; M625-C739 HydrophobicContact CG-CB 3.67Å; M625-C739 VanDerWaalsContact CG-SG 3.54Å; M625-C739 HydrophobicContact SD-CB 4Å
626	L	79.4	Confident	65.8	Low	130 Å²	130	64.6 Å²	64.6	68%	0.681	33%	0.331	S	S	*	.	H	α-helix	trans	-57	-28.9	-179.4	-67	169.6	0	0	0	112.5	L622 I623	L622-L626 WeakPolarHBondContact O-CG 3.46Å; L622-L626 PolarHBondContact O-N 2.7Å; L622-L626 VanDerWaalsContact O-N 3.08Å; I623-L626 PolarHBondContact O-N 3.28Å
627	K	75.9	Confident	62.9	Low	58 Å²	58	68.2 Å²	68.2	25%	0.252	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	9.3	174.6	-65.7	-179.8	179	-172.9	0	115.2	K579 D584 I623 M625	K579-K627 WeakPolarHBondContact O-CD 3.27Å; K579-K627 PolarHBondContact O-NZ 2.89Å; D584-K627 WeakPolarHBondContact OD1-CE 3.26Å; D584-K627 IonicContact OD1-NZ 2.76Å; D584-K627 PolarHBondContact OD1-NZ 3.37Å; D584-K627 IonicContact OD2-NZ 2.6Å; D584-K627 PolarHBondContact OD2-NZ 3.4Å; I623-K627 HydrophobicContact CG2-CD 4.2Å; I623-K627 PolarHBondContact O-N 3.12Å; I623-K627 VanDerWaalsContact O-N 3.17Å; M625-K627 PolarHBondContact O-N 2.94Å
628	K	62.2	Low	60.3	Low	115 Å²	115	72.4 Å²	72.4	50%	0.5	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-29.8	161.2	-81.1	175.3	173.3	176.7	0	111.5	L624 M625 C739	L624-K628 PolarHBondContact O-N 3.3Å; M625-K628 WeakPolarHBondContact O-CB 3.36Å; M625-K628 PolarHBondContact O-N 2.91Å; K628-C739 PolarHBondContact NZ-SG 2.9Å
629	D	48.4	Very low	57.6	Low	129 Å²	129	78.8 Å²	78.8	69%	0.69	40%	0.401	S	S	*	.	S	Bend	trans	-89.2	-4.7	-173.6	-57.4	-36.2	0	0	0	114.1	P631	D629-P631 VanDerWaalsContact O-CD 3.27Å; D629-P631 WeakPolarHBondContact O-CD 3.22Å
630	E	35.9	Very low	55.1	Low	144 Å²	144	81.3 Å²	81.3	67%	0.673	42%	0.415	S	S	*	.	S	Bend	trans	-62.4	117.5	162.8	-79.3	-166.3	146.4	0	0	109.2	Q632	E630-Q632 PolarHBondContact O-N 3.42Å
631	P	28.2	Very low	52.8	Low	103 Å²	103	87.7 Å²	87.7	67%	0.669	44%	0.443	S	S	*	.			trans	-62.2	131.6	176.4	25.3	-32.1	0	0	0	108.7	D629 L633	D629-P631 VanDerWaalsContact O-CD 3.27Å; D629-P631 WeakPolarHBondContact O-CD 3.22Å; P631-L633 PolarHBondContact O-N 3.42Å
632	Q	30.1	Very low	50.5	Low	131 Å²	131	91.6 Å²	91.6	61%	0.612	47%	0.466	S	S	*	.			trans	-64.2	77.1	172.5	-73.3	-98.7	-41.2	0	0	110	E630 E634 S635 V636	E630-Q632 PolarHBondContact O-N 3.42Å; Q632-E634 PolarHBondContact O-N 3.08Å; Q632-E634 VanDerWaalsContact O-N 3.1Å; Q632-S635 PolarHBondContact O-N 3.1Å; Q632-V636 PolarHBondContact O-N 2.99Å; Q632-V636 VanDerWaalsContact O-N 3.15Å
633	L	30.5	Very low	48.3	Very low	113 Å²	113	93.9 Å²	93.9	59%	0.592	48%	0.478	S	S	*	.	H	α-helix	trans	-62.4	-20.2	-177.1	-148.8	77.6	0	0	0	111.6	P631 N637	P631-L633 PolarHBondContact O-N 3.42Å; L633-N637 VanDerWaalsContact O-CB 3.3Å; L633-N637 WeakPolarHBondContact O-CB 3.31Å; L633-N637 PolarHBondContact O-N 3.45Å; L633-N637 PolarHBondContact O-ND2 3.17Å
634	E	29.3	Very low	45.9	Very low	157 Å²	157	96.3 Å²	96.3	73%	0.734	49%	0.494	S	S	*	.	H	α-helix	trans	-73.5	-41.7	173.3	-60	-175.7	143.5	0	0	111.8	Q632 V636 D638	Q632-E634 PolarHBondContact O-N 3.08Å; Q632-E634 VanDerWaalsContact O-N 3.1Å; E634-V636 VanDerWaalsContact C-N 3.34Å; E634-V636 PolarHBondContact O-N 2.95Å; E634-D638 PolarHBondContact O-N 3.38Å
635	S	32.9	Very low	43.9	Very low	48 Å²	48	97.9 Å²	97.9	34%	0.336	51%	0.506	S	S	.	.	H	α-helix	trans	-69.7	-30.6	172.6	172.1	0	0	0	0	112.8	Q632 K639	Q632-S635 PolarHBondContact O-N 3.1Å; S635-K639 WeakPolarHBondContact O-CB 3.35Å; S635-K639 WeakPolarHBondContact O-CG 3.36Å; S635-K639 PolarHBondContact O-N 3.35Å
636	V	32.8	Very low	41.9	Very low	72 Å²	72	100.4 Å²	100.4	44%	0.436	52%	0.521	S	S	.	.	H	α-helix	trans	-80.2	-41.7	-178.2	176.6	0	0	0	0	110.3	Q632 E634 D638 I640	Q632-V636 PolarHBondContact O-N 2.99Å; Q632-V636 VanDerWaalsContact O-N 3.15Å; E634-V636 VanDerWaalsContact C-N 3.34Å; E634-V636 PolarHBondContact O-N 2.95Å; V636-D638 PolarHBondContact O-N 3.36Å; V636-I640 HydrophobicContact CG1-CD1 3.61Å; V636-I640 HydrophobicContact CG1-CG1 4.21Å; V636-I640 VanDerWaalsContact O-CB 3.22Å; V636-I640 WeakPolarHBondContact O-CB 3.33Å; V636-I640 WeakPolarHBondContact O-CG1 3.43Å; V636-I640 PolarHBondContact O-N 3.34Å
637	N	34.2	Very low	39.8	Very low	77 Å²	77	98.3 Å²	98.3	41%	0.412	51%	0.51	S	S	.	.	H	α-helix	trans	-66.6	-35.4	176.6	-82.8	-48.1	0	0	0	113.4	L633 K641	L633-N637 VanDerWaalsContact O-CB 3.3Å; L633-N637 WeakPolarHBondContact O-CB 3.31Å; L633-N637 PolarHBondContact O-N 3.45Å; L633-N637 PolarHBondContact O-ND2 3.17Å; N637-K641 WeakPolarHBondContact O-CB 3.37Å; N637-K641 VanDerWaalsContact O-CG 3.3Å; N637-K641 WeakPolarHBondContact O-CG 3.45Å; N637-K641 PolarHBondContact O-N 3.23Å
638	D	38.7	Very low	38	Very low	88 Å²	88	99.6 Å²	99.6	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-76.7	-38.3	177.1	-75.4	-13.9	0	0	0	112.4	E634 V636 I640 K641 T642	E634-D638 PolarHBondContact O-N 3.38Å; V636-D638 PolarHBondContact O-N 3.36Å; D638-I640 VanDerWaalsContact C-N 3.33Å; D638-I640 PolarHBondContact O-N 3.25Å; D638-K641 PolarHBondContact O-N 2.95Å; D638-K641 IonicContact OD1-NZ 3.62Å; D638-K641 PolarHBondContact OD1-NZ 2.93Å; D638-T642 PolarHBondContact O-N 2.92Å; D638-T642 PolarHBondContact O-OG1 2.96Å
639	K	38.3	Very low	36.9	Very low	135 Å²	135	99.3 Å²	99.3	59%	0.587	53%	0.525	S	S	*	.	H	α-helix	trans	-62.6	-38.9	168.5	-74.9	175	-179.6	168.5	0	112	S635 T642 I643	S635-K639 WeakPolarHBondContact O-CB 3.35Å; S635-K639 WeakPolarHBondContact O-CG 3.36Å; S635-K639 PolarHBondContact O-N 3.35Å; K639-T642 PolarHBondContact O-N 2.89Å; K639-I643 VanDerWaalsContact O-CB 3.29Å; K639-I643 WeakPolarHBondContact O-CB 3.46Å; K639-I643 WeakPolarHBondContact O-CD1 3.25Å; K639-I643 WeakPolarHBondContact O-CG1 3.39Å; K639-I643 PolarHBondContact O-N 2.87Å
640	I	37.7	Very low	36.2	Very low	84 Å²	84	102.2 Å²	102.2	43%	0.431	53%	0.527	S	S	.	.	H	α-helix	trans	-65.3	-40.8	173	-73.8	173.8	0	0	0	110.7	V636 D638 I643 T644	V636-I640 HydrophobicContact CG1-CD1 3.61Å; V636-I640 HydrophobicContact CG1-CG1 4.21Å; V636-I640 VanDerWaalsContact O-CB 3.22Å; V636-I640 WeakPolarHBondContact O-CB 3.33Å; V636-I640 WeakPolarHBondContact O-CG1 3.43Å; V636-I640 PolarHBondContact O-N 3.34Å; D638-I640 VanDerWaalsContact C-N 3.33Å; D638-I640 PolarHBondContact O-N 3.25Å; I640-I643 PolarHBondContact O-N 3.16Å; I640-T644 WeakPolarHBondContact O-CA 3.33Å; I640-T644 WeakPolarHBondContact O-CB 3.49Å; I640-T644 PolarHBondContact O-N 3.39Å; I640-T644 PolarHBondContact O-OG1 2.86Å
641	K	43.1	Very low	36	Very low	134 Å²	134	101.4 Å²	101.4	58%	0.583	52%	0.523	S	S	*	.	H	α-helix	trans	-60.1	-47.4	173.9	-78.4	171.3	-165.2	155.4	0	111.5	N637 D638 T644 S645	N637-K641 WeakPolarHBondContact O-CB 3.37Å; N637-K641 VanDerWaalsContact O-CG 3.3Å; N637-K641 WeakPolarHBondContact O-CG 3.45Å; N637-K641 PolarHBondContact O-N 3.23Å; D638-K641 PolarHBondContact O-N 2.95Å; D638-K641 IonicContact OD1-NZ 3.62Å; D638-K641 PolarHBondContact OD1-NZ 2.93Å; K641-T644 PolarHBondContact O-N 3.17Å; K641-S645 PolarHBondContact O-N 3.09Å; K641-S645 PolarHBondContact O-OG 2.89Å; K641-S645 VanDerWaalsContact O-OG 3.04Å
642	T	41.7	Very low	36.2	Very low	82 Å²	82	100.8 Å²	100.8	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-61.5	-45.2	177.2	-48.4	0	0	0	0	112	D638 K639 T644 S645 D646	D638-T642 PolarHBondContact O-N 2.92Å; D638-T642 PolarHBondContact O-OG1 2.96Å; K639-T642 PolarHBondContact O-N 2.89Å; T642-T644 PolarHBondContact O-N 3.02Å; T642-S645 WeakPolarHBondContact CA-OG 3.41Å; T642-S645 PolarHBondContact O-N 3.1Å; T642-S645 PolarHBondContact O-OG 2.86Å; T642-D646 PolarHBondContact O-N 3.19Å
643	I	39.9	Very low	36.3	Very low	96 Å²	96	105.3 Å²	105.3	49%	0.492	53%	0.532	S	S	.	.	H	α-helix	trans	-67.2	-36.3	177.7	-69.5	165.6	0	0	0	111.1	K639 I640 D646 L647	K639-I643 VanDerWaalsContact O-CB 3.29Å; K639-I643 WeakPolarHBondContact O-CB 3.46Å; K639-I643 WeakPolarHBondContact O-CD1 3.25Å; K639-I643 WeakPolarHBondContact O-CG1 3.39Å; K639-I643 PolarHBondContact O-N 2.87Å; I640-I643 PolarHBondContact O-N 3.16Å; I643-D646 PolarHBondContact O-N 3.06Å; I643-L647 HydrophobicContact CG2-CD1 3.66Å; I643-L647 HydrophobicContact CG2-CG 4.3Å; I643-L647 VanDerWaalsContact O-CB 3.28Å; I643-L647 WeakPolarHBondContact O-CB 3.37Å; I643-L647 WeakPolarHBondContact O-CD1 3.5Å; I643-L647 WeakPolarHBondContact O-CG 3.19Å; I643-L647 PolarHBondContact O-N 2.87Å
644	T	38.3	Very low	36.3	Very low	70 Å²	70	110.8 Å²	110.8	43%	0.429	55%	0.545	S	S	.	.	H	α-helix	trans	-74.6	-33	179	-53	0	0	0	0	111.6	I640 K641 T642 T648	I640-T644 WeakPolarHBondContact O-CA 3.33Å; I640-T644 WeakPolarHBondContact O-CB 3.49Å; I640-T644 PolarHBondContact O-N 3.39Å; I640-T644 PolarHBondContact O-OG1 2.86Å; K641-T644 PolarHBondContact O-N 3.17Å; T642-T644 PolarHBondContact O-N 3.02Å; T644-T648 PolarHBondContact O-N 3.45Å; T644-T648 PolarHBondContact O-OG1 3.3Å
645	S	42.7	Very low	36.2	Very low	55 Å²	55	110.7 Å²	110.7	39%	0.385	55%	0.549	S	S	.	.	H	α-helix	trans	-67.3	-42.1	168.6	51.1	0	0	0	0	112.3	K641 T642 L647 T648 I649	K641-S645 PolarHBondContact O-N 3.09Å; K641-S645 PolarHBondContact O-OG 2.89Å; K641-S645 VanDerWaalsContact O-OG 3.04Å; T642-S645 WeakPolarHBondContact CA-OG 3.41Å; T642-S645 PolarHBondContact O-N 3.1Å; T642-S645 PolarHBondContact O-OG 2.86Å; S645-L647 PolarHBondContact O-N 3.4Å; S645-T648 WeakPolarHBondContact CA-OG1 3.35Å; S645-T648 PolarHBondContact O-N 3.35Å; S645-T648 PolarHBondContact O-OG1 3.44Å; S645-I649 WeakPolarHBondContact O-CG1 3.43Å; S645-I649 PolarHBondContact O-N 2.86Å; S645-I649 VanDerWaalsContact O-N 3.14Å
646	D	39.7	Very low	36	Very low	88 Å²	88	113.5 Å²	113.5	47%	0.471	57%	0.569	S	S	.	*	H	α-helix	trans	-68.7	-33.7	176.8	-84.3	-18.6	0	0	0	112.6	T642 I643 R650	T642-D646 PolarHBondContact O-N 3.19Å; I643-D646 PolarHBondContact O-N 3.06Å; D646-R650 WeakPolarHBondContact O-CB 3.34Å; D646-R650 WeakPolarHBondContact O-CG 3.19Å; D646-R650 PolarHBondContact O-N 3.49Å; D646-R650 VanDerWaalsContact O-N 3.09Å
647	L	36.2	Very low	35.9	Very low	85 Å²	85	121.9 Å²	121.9	45%	0.445	59%	0.592	S	S	.	*	H	α-helix	trans	-73.7	-37.3	176	-73.8	169.1	0	0	0	112.6	I643 S645 I649 R650 Q651	I643-L647 HydrophobicContact CG2-CD1 3.66Å; I643-L647 HydrophobicContact CG2-CG 4.3Å; I643-L647 VanDerWaalsContact O-CB 3.28Å; I643-L647 WeakPolarHBondContact O-CB 3.37Å; I643-L647 WeakPolarHBondContact O-CD1 3.5Å; I643-L647 WeakPolarHBondContact O-CG 3.19Å; I643-L647 PolarHBondContact O-N 2.87Å; S645-L647 PolarHBondContact O-N 3.4Å; L647-I649 VanDerWaalsContact C-N 3.35Å; L647-R650 PolarHBondContact O-N 2.83Å; L647-Q651 WeakPolarHBondContact O-CB 3.49Å; L647-Q651 WeakPolarHBondContact O-CG 3.22Å; L647-Q651 PolarHBondContact O-N 2.94Å
648	T	36.3	Very low	35.8	Very low	85 Å²	85	128.9 Å²	128.9	52%	0.521	61%	0.613	S	S	.	*	H	α-helix	trans	-68.7	-31.8	174.6	39.3	0	0	0	0	112.7	T644 S645 S652	T644-T648 PolarHBondContact O-N 3.45Å; T644-T648 PolarHBondContact O-OG1 3.3Å; S645-T648 WeakPolarHBondContact CA-OG1 3.35Å; S645-T648 PolarHBondContact O-N 3.35Å; S645-T648 PolarHBondContact O-OG1 3.44Å; T648-S652 PolarHBondContact O-N 2.99Å; T648-S652 PolarHBondContact O-OG 3.46Å
649	I	39.9	Very low	35.6	Very low	110 Å²	110	130.4 Å²	130.4	56%	0.564	63%	0.628	S	S	*	*	H	α-helix	trans	-74.2	-28.6	172.9	-65.9	168.3	0	0	0	112.1	S645 L647 S652	S645-I649 WeakPolarHBondContact O-CG1 3.43Å; S645-I649 PolarHBondContact O-N 2.86Å; S645-I649 VanDerWaalsContact O-N 3.14Å; L647-I649 VanDerWaalsContact C-N 3.35Å; I649-S652 PolarHBondContact O-OG 3.42Å
650	R	33.8	Very low	35.3	Very low	189 Å²	189	128.3 Å²	128.3	71%	0.713	63%	0.63	S	S	*	*	H	α-helix	trans	-87.2	-30.8	178.1	-74.1	177.5	174	-177.2	0.2	114.5	D646 L647	D646-R650 WeakPolarHBondContact O-CB 3.34Å; D646-R650 WeakPolarHBondContact O-CG 3.19Å; D646-R650 PolarHBondContact O-N 3.49Å; D646-R650 VanDerWaalsContact O-N 3.09Å; L647-R650 PolarHBondContact O-N 2.83Å
651	Q	31.5	Very low	35.2	Very low	127 Å²	127	131.5 Å²	131.5	59%	0.593	65%	0.654	S	S	*	*	H	α-helix	trans	-77.7	-24.2	178.3	-72.4	-179.1	-8.7	0	0	113.3	L647 R653 R654	L647-Q651 WeakPolarHBondContact O-CB 3.49Å; L647-Q651 WeakPolarHBondContact O-CG 3.22Å; L647-Q651 PolarHBondContact O-N 2.94Å; Q651-R653 PolarHBondContact O-N 3.08Å; Q651-R654 PolarHBondContact O-N 2.82Å
652	S	32.3	Very low	34.6	Very low	90 Å²	90	130.5 Å²	130.5	63%	0.629	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-3.2	175.3	46.2	0	0	0	0	114.8	T648 I649	T648-S652 PolarHBondContact O-N 2.99Å; T648-S652 PolarHBondContact O-OG 3.46Å; I649-S652 PolarHBondContact O-OG 3.42Å
653	R	33.3	Very low	34.4	Very low	226 Å²	226	136.7 Å²	136.7	85%	0.853	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	4.4	175.6	-74.3	-175.8	172.7	177.2	-1	115.3	Q651	Q651-R653 PolarHBondContact O-N 3.08Å
654	R	28.7	Very low	34	Very low	229 Å²	229	140.1 Å²	140.1	86%	0.864	70%	0.698	S	S	*	*	S	Bend	trans	-137.9	53.4	178.8	-75.1	-171.7	172.7	178.2	-1.8	112.9	Q651	Q651-R654 PolarHBondContact O-N 2.82Å
655	L	27.1	Very low	33.9	Very low	154 Å²	154	143.2 Å²	143.2	81%	0.806	71%	0.711	S	S	*	*			trans	-130.5	74.9	172.8	-83.4	167	0	0	0	111.4
656	S	29.5	Very low	33.5	Very low	108 Å²	108	148.8 Å²	148.8	76%	0.755	73%	0.728	S	S	*	*			trans	-137	142	153.9	70.5	0	0	0	0	109.1
657	R	30.5	Very low	33.2	Very low	247 Å²	247	149.5 Å²	149.5	93%	0.932	74%	0.74	S	S	*	*			trans	79.4	80.4	-177.5	-52.5	-178.5	176.5	-178.1	-2.3	116.9
658	R	32.2	Very low	33.1	Very low	224 Å²	224	153.3 Å²	153.3	85%	0.845	76%	0.761	S	S	*	*			trans	-78.6	-177.9	146.2	-93.4	-174.1	179.6	-175.5	0.5	109.8
659	P	34.4	Very low	32.9	Very low	120 Å²	120	155.9 Å²	155.9	78%	0.779	78%	0.776	S	S	*	*			cis	-130.4	-149.4	10.3	33.2	-9	0	0	0	113.7
660	S	32.5	Very low	32.7	Very low	92 Å²	92	154.1 Å²	154.1	64%	0.643	79%	0.785	S	S	*	*				177.6	127.9	-103	53.5	0	0	0	0	112.6
661	T	35.3	Very low	32.7	Very low	151 Å²	151	154.7 Å²	154.7	93%	0.926	79%	0.793	S	S	*	*			trans	-135.7	153.6	172.3	31.9	0	0	0	0	112.4
662	S	31.2	Very low	32.8	Very low	113 Å²	113	157 Å²	157	79%	0.79	80%	0.801	S	S	*	*			trans	-144.3	159.8	-165.2	58.5	0	0	0	0	113.1
663	K	37.3	Very low	32.9	Very low	211 Å²	211	160.1 Å²	160.1	92%	0.917	81%	0.806	S	S	*	*			trans	-166.1	132.6	146.3	-108	164.5	-174.5	-178.9	0	111.4
664	Q	32.1	Very low	33	Very low	168 Å²	168	157 Å²	157	79%	0.785	80%	0.798	S	S	*	*			trans	-101.7	166	168.9	-67.7	179.4	-19.5	0	0	109.6
665	L	34.9	Very low	33.2	Very low	135 Å²	135	152.6 Å²	152.6	71%	0.707	79%	0.788	S	S	*	*				171.5	124.1	102.6	-104.8	110.2	0	0	0	115.5
666	K	34.8	Very low	33.6	Very low	173 Å²	173	152.3 Å²	152.3	75%	0.752	78%	0.78	S	S	*	*			trans	53.4	110.7	136.1	-59.6	-170.4	-167.5	174.6	0	124
667	S	32.4	Very low	33.7	Very low	103 Å²	103	157.1 Å²	157.1	72%	0.72	79%	0.787	S	S	*	*				7.3	144.7	123.5	62.2	0	0	0	0	122.7
668	N	35.6	Very low	33.9	Very low	165 Å²	165	149 Å²	149	88%	0.882	78%	0.78	S	S	*	*				-156.6	161.3	129.6	-121.2	-10.6	0	0	0	114.1
669	T	32.4	Very low	33.9	Very low	138 Å²	138	147.6 Å²	147.6	85%	0.847	78%	0.78	S	S	*	*			trans	-112	159.1	-167.1	52.9	0	0	0	0	114.3
670	G	34	Very low	33.7	Very low	73 Å²	73	147.5 Å²	147.5	75%	0.753	78%	0.778	S	S	*	*			trans	168.8	84.7	164.6	0	0	0	0	0	122.2
671	K	34.2	Very low	33.8	Very low	201 Å²	201	151.7 Å²	151.7	87%	0.874	78%	0.784	S	S	*	*			trans	51.2	134.6	133.8	-83.2	174.7	178.9	168.7	0	124.2
672	K	34.9	Very low	33.5	Very low	176 Å²	176	156.2 Å²	156.2	77%	0.765	78%	0.784	S	S	*	*			trans	105.8	102.6	130.9	-85.8	179.8	174.7	-174.5	0	122.6
673	Q	33.8	Very low	33.6	Very low	156 Å²	156	154.1 Å²	154.1	73%	0.729	78%	0.781	S	S	*	*				81	135.5	108.9	-118.6	-178.5	21.3	0	0	124.2
674	K	34.9	Very low	33.3	Very low	159 Å²	159	148.9 Å²	148.9	69%	0.691	78%	0.777	S	S	*	*			trans	101.5	118.4	146.4	-72.5	-171.4	176.5	-176.3	0	121.5
675	E	33	Very low	33.4	Very low	137 Å²	137	149.1 Å²	149.1	64%	0.64	78%	0.778	S	S	*	*				66.7	148.8	128.3	-63.9	-166	142.5	0	0	120
676	K	35.4	Very low	33.2	Very low	149 Å²	149	148.7 Å²	148.7	65%	0.648	78%	0.776	S	S	*	*			cis	-163.4	139.4	5.4	-122.3	161.5	-173.7	145.1	0	112.3
677	K	31.9	Very low	33.1	Very low	209 Å²	209	150.3 Å²	150.3	91%	0.909	78%	0.778	S	S	*	*			trans	33.4	130.5	142.6	-63.6	-179.9	175.4	179.6	0	123.6
678	G	34.1	Very low	33.1	Very low	76 Å²	76	154.9 Å²	154.9	78%	0.784	79%	0.785	S	S	*	*			trans	170.9	96.5	143.7	0	0	0	0	0	113.7
679	K	32.3	Very low	32.8	Very low	194 Å²	194	154 Å²	154	84%	0.843	78%	0.778	S	S	*	*				82.2	108.6	78.3	-112.7	-170.6	-178.8	-176.7	0	117.5
680	T	30.6	Very low	32.8	Very low	118 Å²	118	153.3 Å²	153.3	72%	0.724	78%	0.779	S	S	*	*			trans	66.4	153.4	147.4	45.2	0	0	0	0	119.4
681	K	34.1	Very low	32.7	Very low	181 Å²	181	156.7 Å²	156.7	79%	0.787	78%	0.779	S	S	*	*			cis	-165.1	145.3	6	-127.6	169.5	-177.2	-179	0	112.4
682	R	29.9	Very low	32.6	Very low	245 Å²	245	152 Å²	152	93%	0.925	77%	0.771	S	S	*	*			trans	36.5	139.4	142.8	-75.3	-176.3	171.5	-178.3	-4.3	124.7
683	G	32.4	Very low	32.8	Very low	70 Å²	70	148.7 Å²	148.7	72%	0.722	77%	0.768	S	S	*	*			trans	132.1	112.6	153.6	0	0	0	0	0	111.4
684	A	31.7	Very low	32.8	Very low	100 Å²	100	151 Å²	151	83%	0.826	78%	0.778	S	S	*	*				58.4	124.4	59.8	0	0	0	0	0	111.6
685	E	34.2	Very low	32.5	Very low	174 Å²	174	152 Å²	152	81%	0.813	79%	0.787	S	S	*	*			cis	-152.7	157.6	26.9	-62.6	-178	105.6	0	0	115.5
686	N	31.2	Very low	32.4	Very low	125 Å²	125	153 Å²	153	67%	0.668	79%	0.792	S	S	*	*			trans	35.7	129.6	137.6	-80.6	-46.3	0	0	0	125.2
687	R	31.7	Very low	32.4	Very low	208 Å²	208	153.7 Å²	153.7	79%	0.785	80%	0.795	S	S	*	*				103.5	118.9	122.3	-82.1	170.8	-176.2	-174.5	1.1	122.1
688	K	33.1	Very low	32.2	Very low	198 Å²	198	148.2 Å²	148.2	86%	0.861	78%	0.784	S	S	*	*			trans	93	137.4	133.8	-78.7	-171.8	172.7	-170.4	0	119.9
689	I	28.6	Very low	32.2	Very low	147 Å²	147	153.3 Å²	153.3	75%	0.754	79%	0.787	S	S	*	*			trans	-103	145.7	-170.6	-63	157	0	0	0	109.4	I691	I689-I691 HydrophobicContact CG2-CD1 3.67Å; I689-I691 HydrophobicContact CG2-CG1 3.9Å
690	S	32	Very low	32.3	Very low	123 Å²	123	150.9 Å²	150.9	86%	0.86	78%	0.783	S	S	*	*			trans	-155.6	148.6	154	54	0	0	0	0	112
691	I	32.9	Very low	32.5	Very low	145 Å²	145	151.4 Å²	151.4	74%	0.744	78%	0.777	S	S	*	*			trans	-138.7	140.3	-150.7	-79.3	171.6	0	0	0	110.7	I689	I689-I691 HydrophobicContact CG2-CD1 3.67Å; I689-I691 HydrophobicContact CG2-CG1 3.9Å
692	S	33	Very low	32.6	Very low	101 Å²	101	150.6 Å²	150.6	71%	0.706	77%	0.774	S	S	*	*			cis	-148.2	-66.6	-11.5	44	0	0	0	0	118.1
693	P	38.9	Very low	32.9	Very low	108 Å²	108	146.6 Å²	146.6	70%	0.701	77%	0.765	S	S	*	*				-129.6	157.5	-128.9	40.2	-25.9	0	0	0	117.4
694	E	33.5	Very low	33.6	Very low	203 Å²	203	146.6 Å²	146.6	95%	0.949	75%	0.752	S	S	*	*			trans	-153.1	147.9	141.4	-125.1	166.6	-158.9	0	0	111
695	M	28.3	Very low	33.9	Very low	180 Å²	180	146.5 Å²	146.5	89%	0.887	74%	0.737	S	S	*	*			trans	-99.8	140.1	-169.1	-50.5	178.3	-57.6	0	0	111.6
696	E	30.8	Very low	34.5	Very low	158 Å²	158	143.1 Å²	143.1	74%	0.738	72%	0.724	S	S	*	*			trans	-162	151.1	143.5	-123.6	-175.9	-147.4	0	0	113.4
697	K	35	Very low	35.3	Very low	164 Å²	164	143.2 Å²	143.2	71%	0.713	72%	0.721	S	S	*	*			trans	76.5	73.1	164.8	-66.7	162	177.5	123.8	0	118.1
698	S	28.9	Very low	35.9	Very low	95 Å²	95	138.2 Å²	138.2	66%	0.664	71%	0.709	S	S	*	*			trans	-61.5	120.4	148.6	52.6	0	0	0	0	112.1
699	E	33.8	Very low	36.6	Very low	182 Å²	182	132.2 Å²	132.2	85%	0.85	69%	0.685	S	S	*	*	S	Bend	trans	-173.6	-34.7	138.4	-106.5	170.3	178.3	0	0	111.4	Q701	E699-Q701 PolarHBondContact O-N 3.19Å
700	N	34.2	Very low	37.6	Very low	144 Å²	144	129.9 Å²	129.9	77%	0.77	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	0.8	170.6	-85.2	8.9	0	0	0	114.7	T704	N700-T704 PolarHBondContact O-OG1 3.39Å
701	Q	34.7	Very low	38.3	Very low	128 Å²	128	129.3 Å²	129.3	60%	0.598	66%	0.659	S	S	*	*	H	α-helix	trans	-83	-11.6	-177.1	-78.1	-178.7	-22.1	0	0	114.1	E699 T704 L705	E699-Q701 PolarHBondContact O-N 3.19Å; Q701-T704 WeakPolarHBondContact CA-OG1 3.19Å; Q701-L705 WeakPolarHBondContact O-CB 3.13Å; Q701-L705 PolarHBondContact O-N 3.36Å
702	K	36.5	Very low	38.8	Very low	165 Å²	165	128.5 Å²	128.5	72%	0.717	65%	0.652	S	S	*	*	H	α-helix	trans	-75.7	-50.5	-179.8	-90.4	-174.1	171.1	-177	0	113.2	T704 L705 D706	K702-T704 VanDerWaalsContact C-N 3.26Å; K702-T704 PolarHBondContact O-N 2.87Å; K702-L705 PolarHBondContact O-N 3.07Å; K702-L705 VanDerWaalsContact O-N 3.09Å; K702-D706 PolarHBondContact O-N 3.43Å
703	E	35.9	Very low	39.5	Very low	160 Å²	160	128.8 Å²	128.8	75%	0.748	64%	0.642	S	S	*	*	H	α-helix	trans	-64.3	-32.2	178.4	-67.9	-179.8	144.3	0	0	112	E707	E703-E707 PolarHBondContact O-N 3.4Å
704	T	46.5	Very low	40	Very low	70 Å²	70	129.4 Å²	129.4	43%	0.429	64%	0.635	S	S	.	*	H	α-helix	trans	-77.3	-27	172.6	35.2	0	0	0	0	113.8	N700 Q701 K702 L708	N700-T704 PolarHBondContact O-OG1 3.39Å; Q701-T704 WeakPolarHBondContact CA-OG1 3.19Å; K702-T704 VanDerWaalsContact C-N 3.26Å; K702-T704 PolarHBondContact O-N 2.87Å; T704-L708 WeakPolarHBondContact O-CB 3.39Å; T704-L708 WeakPolarHBondContact O-CD1 3.3Å; T704-L708 WeakPolarHBondContact O-CG 3.32Å; T704-L708 PolarHBondContact O-N 3.37Å; T704-L708 VanDerWaalsContact O-N 3.09Å
705	L	39.2	Very low	40.6	Very low	98 Å²	98	124.3 Å²	124.3	51%	0.513	61%	0.614	S	S	.	*	H	α-helix	trans	-73.4	-40.8	174.4	-174.3	68.1	0	0	0	111.2	Q701 K702 L708 I709	Q701-L705 WeakPolarHBondContact O-CB 3.13Å; Q701-L705 PolarHBondContact O-N 3.36Å; K702-L705 PolarHBondContact O-N 3.07Å; K702-L705 VanDerWaalsContact O-N 3.09Å; L705-L708 PolarHBondContact O-N 2.9Å; L705-I709 HydrophobicContact CG-CD1 3.96Å; L705-I709 WeakPolarHBondContact O-CB 3.3Å; L705-I709 VanDerWaalsContact O-CG1 3.25Å; L705-I709 WeakPolarHBondContact O-CG1 3.41Å; L705-I709 PolarHBondContact O-N 2.9Å
706	D	44.9	Very low	41.4	Very low	104 Å²	104	120.9 Å²	120.9	56%	0.556	60%	0.599	S	S	*	*	H	α-helix	trans	-65.3	-41.4	176.3	-67.4	-25.7	0	0	0	111.1	K702 L708 I709 D710	K702-D706 PolarHBondContact O-N 3.43Å; D706-L708 VanDerWaalsContact C-N 3.34Å; D706-L708 PolarHBondContact O-N 3.48Å; D706-I709 PolarHBondContact O-N 3.29Å; D706-D710 PolarHBondContact O-N 2.62Å
707	E	48.5	Very low	42	Very low	127 Å²	127	119 Å²	119	59%	0.593	59%	0.59	S	S	*	*	H	α-helix	trans	-64.3	-33.2	172.1	-77.5	-169.5	156.5	0	0	113.6	E703 Q711	E703-E707 PolarHBondContact O-N 3.4Å; E707-Q711 WeakPolarHBondContact O-CG 3.39Å; E707-Q711 PolarHBondContact O-N 2.95Å; E707-Q711 VanDerWaalsContact O-N 3.16Å
708	L	44.9	Very low	42.3	Very low	102 Å²	102	117 Å²	117	53%	0.534	58%	0.583	S	S	.	*	H	α-helix	trans	-74.3	-35.5	175.9	-76.8	168.4	0	0	0	112.1	T704 L705 D706 Q711 E712	T704-L708 WeakPolarHBondContact O-CB 3.39Å; T704-L708 WeakPolarHBondContact O-CD1 3.3Å; T704-L708 WeakPolarHBondContact O-CG 3.32Å; T704-L708 PolarHBondContact O-N 3.37Å; T704-L708 VanDerWaalsContact O-N 3.09Å; L705-L708 PolarHBondContact O-N 2.9Å; D706-L708 VanDerWaalsContact C-N 3.34Å; D706-L708 PolarHBondContact O-N 3.48Å; L708-Q711 PolarHBondContact O-N 3.41Å; L708-E712 WeakPolarHBondContact O-CB 3.39Å; L708-E712 PolarHBondContact O-N 3.15Å
709	I	47.2	Very low	42.8	Very low	72 Å²	72	116.5 Å²	116.5	37%	0.369	57%	0.573	S	S	.	*	H	α-helix	trans	-64.9	-44.7	173.2	-71.2	164.6	0	0	0	110.2	L705 D706 Q711 E712 E713	L705-I709 HydrophobicContact CG-CD1 3.96Å; L705-I709 WeakPolarHBondContact O-CB 3.3Å; L705-I709 VanDerWaalsContact O-CG1 3.25Å; L705-I709 WeakPolarHBondContact O-CG1 3.41Å; L705-I709 PolarHBondContact O-N 2.9Å; D706-I709 PolarHBondContact O-N 3.29Å; I709-Q711 VanDerWaalsContact C-N 3.29Å; I709-Q711 PolarHBondContact O-N 2.58Å; I709-E712 PolarHBondContact O-N 2.84Å; I709-E713 HydrophobicContact CG2-CG 4.47Å; I709-E713 PolarHBondContact O-N 2.85Å
710	D	49.4	Very low	43.1	Very low	99 Å²	99	109.7 Å²	109.7	53%	0.529	55%	0.546	S	S	.	.	H	α-helix	trans	-61	-36.3	175	-97.8	1.2	0	0	0	112.3	D706 Q714	D706-D710 PolarHBondContact O-N 2.62Å; D710-Q714 WeakPolarHBondContact O-CB 3.44Å; D710-Q714 VanDerWaalsContact O-CG 3.24Å; D710-Q714 WeakPolarHBondContact O-CG 3.39Å; D710-Q714 PolarHBondContact O-N 3.23Å; D710-Q714 VanDerWaalsContact O-N 3.08Å
711	Q	46.9	Very low	43.6	Very low	111 Å²	111	109 Å²	109	52%	0.519	54%	0.538	S	S	.	.	H	α-helix	trans	-71.4	-38.5	174.6	-74.2	177.2	30.7	0	0	112.5	E707 L708 I709 Q714 L715	E707-Q711 WeakPolarHBondContact O-CG 3.39Å; E707-Q711 PolarHBondContact O-N 2.95Å; E707-Q711 VanDerWaalsContact O-N 3.16Å; L708-Q711 PolarHBondContact O-N 3.41Å; I709-Q711 VanDerWaalsContact C-N 3.29Å; I709-Q711 PolarHBondContact O-N 2.58Å; Q711-Q714 PolarHBondContact O-N 3.43Å; Q711-L715 WeakPolarHBondContact O-CB 3.41Å; Q711-L715 WeakPolarHBondContact O-CG 3.44Å; Q711-L715 PolarHBondContact O-N 3.14Å
712	E	44.4	Very low	43.8	Very low	128 Å²	128	108 Å²	108	60%	0.598	54%	0.536	S	S	*	.	H	α-helix	trans	-70.3	-39.2	177.2	-167.6	165.7	-152.8	0	0	111.5	L708 I709 L715 L716	L708-E712 WeakPolarHBondContact O-CB 3.39Å; L708-E712 PolarHBondContact O-N 3.15Å; I709-E712 PolarHBondContact O-N 2.84Å; E712-L715 PolarHBondContact O-N 3.27Å; E712-L716 HydrophobicContact CG-CD1 4.23Å; E712-L716 WeakPolarHBondContact O-CB 3.34Å; E712-L716 WeakPolarHBondContact O-CG 3.19Å; E712-L716 PolarHBondContact O-N 2.9Å
713	E	46.8	Very low	43.9	Very low	106 Å²	106	105.6 Å²	105.6	50%	0.495	53%	0.531	S	S	.	.	H	α-helix	trans	-64	-39.9	171.5	-74.9	-158.2	172.9	0	0	112.4	I709 L716 Q717	I709-E713 HydrophobicContact CG2-CG 4.47Å; I709-E713 PolarHBondContact O-N 2.85Å; E713-L716 PolarHBondContact O-N 3.1Å; E713-Q717 WeakPolarHBondContact O-CB 3.4Å; E713-Q717 VanDerWaalsContact O-CG 3.3Å; E713-Q717 WeakPolarHBondContact O-CG 3.42Å; E713-Q717 PolarHBondContact O-N 2.82Å
714	Q	49.3	Very low	44.2	Very low	121 Å²	121	104 Å²	104	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-65.6	-39.2	174.5	-76.5	174.9	43.8	0	0	112.4	D710 Q711 Q717 Q718	D710-Q714 WeakPolarHBondContact O-CB 3.44Å; D710-Q714 VanDerWaalsContact O-CG 3.24Å; D710-Q714 WeakPolarHBondContact O-CG 3.39Å; D710-Q714 PolarHBondContact O-N 3.23Å; D710-Q714 VanDerWaalsContact O-N 3.08Å; Q711-Q714 PolarHBondContact O-N 3.43Å; Q714-Q717 PolarHBondContact O-N 3.14Å; Q714-Q718 PolarHBondContact O-N 3.19Å
715	L	47.3	Very low	43.7	Very low	97 Å²	97	104.5 Å²	104.5	51%	0.508	53%	0.525	S	S	.	.	H	α-helix	trans	-68.2	-39.6	174.1	-77.8	166.4	0	0	0	112.1	Q711 E712 Q718 N719	Q711-L715 WeakPolarHBondContact O-CB 3.41Å; Q711-L715 WeakPolarHBondContact O-CG 3.44Å; Q711-L715 PolarHBondContact O-N 3.14Å; E712-L715 PolarHBondContact O-N 3.27Å; L715-Q718 PolarHBondContact O-N 3.3Å; L715-N719 WeakPolarHBondContact O-CB 3.28Å; L715-N719 VanDerWaalsContact O-CG 3.25Å; L715-N719 PolarHBondContact O-N 3.3Å; L715-N719 PolarHBondContact O-ND2 2.92Å
716	L	44.2	Very low	43.7	Very low	108 Å²	108	103.5 Å²	103.5	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-63.3	-39.7	172.6	-82.6	160.5	0	0	0	111.8	E712 E713 S720	E712-L716 HydrophobicContact CG-CD1 4.23Å; E712-L716 WeakPolarHBondContact O-CB 3.34Å; E712-L716 WeakPolarHBondContact O-CG 3.19Å; E712-L716 PolarHBondContact O-N 2.9Å; E713-L716 PolarHBondContact O-N 3.1Å; L716-S720 WeakPolarHBondContact O-CB 3.43Å; L716-S720 PolarHBondContact O-N 3.26Å
717	Q	44.3	Very low	43.3	Very low	117 Å²	117	101.7 Å²	101.7	55%	0.547	52%	0.52	S	S	.	.	H	α-helix	trans	-66.2	-46.6	175.1	-75.5	175.7	15.2	0	0	111.6	E713 Q714 N719 S720 E721	E713-Q717 WeakPolarHBondContact O-CB 3.4Å; E713-Q717 VanDerWaalsContact O-CG 3.3Å; E713-Q717 WeakPolarHBondContact O-CG 3.42Å; E713-Q717 PolarHBondContact O-N 2.82Å; Q714-Q717 PolarHBondContact O-N 3.14Å; Q717-N719 PolarHBondContact O-N 3.13Å; Q717-S720 WeakPolarHBondContact O-CB 3.27Å; Q717-S720 PolarHBondContact O-N 3.34Å; Q717-S720 VanDerWaalsContact O-N 3.15Å; Q717-S720 PolarHBondContact O-OG 3.22Å; Q717-E721 PolarHBondContact O-N 3.41Å
718	Q	39.6	Very low	42.9	Very low	122 Å²	122	98.5 Å²	98.5	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-60	-44	174.4	-81.3	-170.8	-13.8	0	0	112.7	Q714 L715 S720 E721 L722	Q714-Q718 PolarHBondContact O-N 3.19Å; L715-Q718 PolarHBondContact O-N 3.3Å; Q718-S720 VanDerWaalsContact C-N 3.32Å; Q718-S720 PolarHBondContact O-N 2.65Å; Q718-E721 PolarHBondContact O-N 3.42Å; Q718-L722 PolarHBondContact O-N 3.27Å
719	N	40.4	Very low	43.2	Very low	85 Å²	85	98.3 Å²	98.3	46%	0.455	51%	0.51	S	S	.	.	H	α-helix	trans	-63.2	-39.1	174.7	-72.8	-29.7	0	0	0	111.1	L715 Q717 E721 L722 D723	L715-N719 WeakPolarHBondContact O-CB 3.28Å; L715-N719 VanDerWaalsContact O-CG 3.25Å; L715-N719 PolarHBondContact O-N 3.3Å; L715-N719 PolarHBondContact O-ND2 2.92Å; Q717-N719 PolarHBondContact O-N 3.13Å; N719-E721 VanDerWaalsContact C-N 3.31Å; N719-E721 PolarHBondContact O-N 3.47Å; N719-L722 PolarHBondContact O-N 3.43Å; N719-D723 WeakPolarHBondContact O-CB 3.32Å; N719-D723 PolarHBondContact O-N 3.42Å
720	S	41.1	Very low	43.3	Very low	40 Å²	40	100.4 Å²	100.4	28%	0.28	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-32.1	174.3	92.5	0	0	0	0	113.3	L716 Q717 Q718 K724	L716-S720 WeakPolarHBondContact O-CB 3.43Å; L716-S720 PolarHBondContact O-N 3.26Å; Q717-S720 WeakPolarHBondContact O-CB 3.27Å; Q717-S720 PolarHBondContact O-N 3.34Å; Q717-S720 VanDerWaalsContact O-N 3.15Å; Q717-S720 PolarHBondContact O-OG 3.22Å; Q718-S720 VanDerWaalsContact C-N 3.32Å; Q718-S720 PolarHBondContact O-N 2.65Å; S720-K724 WeakPolarHBondContact O-CB 3.27Å; S720-K724 VanDerWaalsContact O-CD 3.23Å; S720-K724 WeakPolarHBondContact O-CD 3.3Å; S720-K724 WeakPolarHBondContact O-CG 3.44Å; S720-K724 PolarHBondContact O-N 2.88Å; S720-K724 PolarHBondContact OG-NZ 2.98Å; S720-K724 VanDerWaalsContact OG-NZ 3.07Å
721	E	43.3	Very low	43.5	Very low	128 Å²	128	103.2 Å²	103.2	60%	0.598	52%	0.523	S	S	*	.	H	α-helix	trans	-74.8	-39.1	174.8	-72.3	-168.5	155.4	0	0	111.4	Q717 Q718 N719 K724 T725	Q717-E721 PolarHBondContact O-N 3.41Å; Q718-E721 PolarHBondContact O-N 3.42Å; N719-E721 VanDerWaalsContact C-N 3.31Å; N719-E721 PolarHBondContact O-N 3.47Å; E721-K724 PolarHBondContact O-N 3.42Å; E721-T725 WeakPolarHBondContact O-CB 3.47Å; E721-T725 PolarHBondContact O-N 3.39Å; E721-T725 PolarHBondContact O-OG1 2.97Å
722	L	40.4	Very low	44	Very low	109 Å²	109	103.8 Å²	103.8	57%	0.571	53%	0.526	S	S	*	.	H	α-helix	trans	-61.1	-46	171.3	-82	157.7	0	0	0	111.7	Q718 N719 T725 C726	Q718-L722 PolarHBondContact O-N 3.27Å; N719-L722 PolarHBondContact O-N 3.43Å; L722-T725 PolarHBondContact O-N 3.34Å; L722-C726 VanDerWaalsContact O-CB 3.32Å; L722-C726 WeakPolarHBondContact O-CB 3.36Å; L722-C726 PolarHBondContact O-N 3.04Å
723	D	37.9	Very low	44.7	Very low	113 Å²	113	99.9 Å²	99.9	60%	0.604	51%	0.51	S	S	*	.	H	α-helix	trans	-66.2	-38.7	176.6	-76.2	-22.2	0	0	0	112.1	N719 T725 C726 S727	N719-D723 WeakPolarHBondContact O-CB 3.32Å; N719-D723 PolarHBondContact O-N 3.42Å; D723-T725 VanDerWaalsContact C-N 3.33Å; D723-T725 PolarHBondContact O-N 3.31Å; D723-C726 PolarHBondContact O-N 2.75Å; D723-S727 VanDerWaalsContact O-CB 3.29Å; D723-S727 WeakPolarHBondContact O-CB 3.44Å; D723-S727 PolarHBondContact O-N 3.18Å; D723-S727 PolarHBondContact O-OG 3.01Å
724	K	41.8	Very low	45.5	Very low	128 Å²	128	99.8 Å²	99.8	56%	0.557	51%	0.51	S	S	*	.	H	α-helix	trans	-62.6	-38.9	170.9	-76	162.2	-166.8	147.9	0	112	S720 E721 S727 S728	S720-K724 WeakPolarHBondContact O-CB 3.27Å; S720-K724 VanDerWaalsContact O-CD 3.23Å; S720-K724 WeakPolarHBondContact O-CD 3.3Å; S720-K724 WeakPolarHBondContact O-CG 3.44Å; S720-K724 PolarHBondContact O-N 2.88Å; S720-K724 PolarHBondContact OG-NZ 2.98Å; S720-K724 VanDerWaalsContact OG-NZ 3.07Å; E721-K724 PolarHBondContact O-N 3.42Å; K724-S727 WeakPolarHBondContact CA-OG 3.1Å; K724-S727 PolarHBondContact O-OG 3.06Å; K724-S728 VanDerWaalsContact O-CB 3.23Å; K724-S728 WeakPolarHBondContact O-CB 3.36Å; K724-S728 PolarHBondContact O-N 3.04Å
725	T	37	Very low	46.8	Very low	80 Å²	80	96.4 Å²	96.4	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-70.4	-43.1	178.1	-50.6	0	0	0	0	110.7	E721 L722 D723 S728 I729	E721-T725 WeakPolarHBondContact O-CB 3.47Å; E721-T725 PolarHBondContact O-N 3.39Å; E721-T725 PolarHBondContact O-OG1 2.97Å; L722-T725 PolarHBondContact O-N 3.34Å; D723-T725 VanDerWaalsContact C-N 3.33Å; D723-T725 PolarHBondContact O-N 3.31Å; T725-S728 PolarHBondContact O-N 2.93Å; T725-I729 HydrophobicContact CG2-CD1 4.05Å; T725-I729 WeakPolarHBondContact O-CD1 3.45Å; T725-I729 VanDerWaalsContact O-CG1 3.26Å; T725-I729 WeakPolarHBondContact O-CG1 3.45Å; T725-I729 PolarHBondContact O-N 3.49Å
726	C	37.5	Very low	48.6	Very low	77 Å²	77	92.2 Å²	92.2	52%	0.52	48%	0.475	S	S	.	.	H	α-helix	trans	-65.6	-45.7	178.8	-155.9	0	0	0	0	111.4	L722 D723 I729 Q730	L722-C726 VanDerWaalsContact O-CB 3.32Å; L722-C726 WeakPolarHBondContact O-CB 3.36Å; L722-C726 PolarHBondContact O-N 3.04Å; D723-C726 PolarHBondContact O-N 2.75Å; C726-I729 PolarHBondContact O-N 3.36Å; C726-Q730 WeakPolarHBondContact O-CB 3.34Å; C726-Q730 PolarHBondContact O-N 3.45Å
727	S	36.6	Very low	50.4	Low	66 Å²	66	90 Å²	90	46%	0.462	46%	0.462	S	S	.	.	H	α-helix	trans	-66.7	-33.9	174.6	55	0	0	0	0	113.2	D723 K724 Y731	D723-S727 VanDerWaalsContact O-CB 3.29Å; D723-S727 WeakPolarHBondContact O-CB 3.44Å; D723-S727 PolarHBondContact O-N 3.18Å; D723-S727 PolarHBondContact O-OG 3.01Å; K724-S727 WeakPolarHBondContact CA-OG 3.1Å; K724-S727 PolarHBondContact O-OG 3.06Å; S727-Y731 WeakPolarHBondContact O-CB 3.43Å; S727-Y731 PolarHBondContact O-N 3.48Å
728	S	40.1	Very low	52.3	Low	59 Å²	59	87.2 Å²	87.2	41%	0.413	46%	0.456	S	S	.	.	H	α-helix	trans	-64.5	-44.3	171.2	-168.5	0	0	0	0	112	K724 T725 Y731 E732	K724-S728 VanDerWaalsContact O-CB 3.23Å; K724-S728 WeakPolarHBondContact O-CB 3.36Å; K724-S728 PolarHBondContact O-N 3.04Å; T725-S728 PolarHBondContact O-N 2.93Å; S728-Y731 PolarHBondContact O-N 2.98Å; S728-E732 PolarHBondContact O-N 3.25Å
729	I	51.5	Low	54.5	Low	98 Å²	98	81.8 Å²	81.8	50%	0.503	43%	0.431	S	S	.	.	H	α-helix	trans	-64.7	-43.8	177.1	-69	163.7	0	0	0	110.5	T725 C726 E732 V733	T725-I729 HydrophobicContact CG2-CD1 4.05Å; T725-I729 WeakPolarHBondContact O-CD1 3.45Å; T725-I729 VanDerWaalsContact O-CG1 3.26Å; T725-I729 WeakPolarHBondContact O-CG1 3.45Å; T725-I729 PolarHBondContact O-N 3.49Å; C726-I729 PolarHBondContact O-N 3.36Å; I729-E732 PolarHBondContact O-N 3.24Å; I729-V733 WeakPolarHBondContact O-CG2 3.16Å; I729-V733 PolarHBondContact O-N 2.91Å
730	Q	50.3	Low	56.8	Low	116 Å²	116	77.8 Å²	77.8	54%	0.542	41%	0.409	S	S	.	.	H	α-helix	trans	-64.4	-41.7	178.2	-172.2	176.1	-26.3	0	0	111.4	C726 E732 V733 E734	C726-Q730 WeakPolarHBondContact O-CB 3.34Å; C726-Q730 PolarHBondContact O-N 3.45Å; Q730-E732 PolarHBondContact O-N 2.87Å; Q730-V733 PolarHBondContact O-N 3.02Å; Q730-E734 HydrophobicContact CG-CG 4.45Å; Q730-E734 WeakPolarHBondContact CG-OE1 3.34Å; Q730-E734 PolarHBondContact NE2-OE1 3.44Å; Q730-E734 WeakPolarHBondContact O-CG 3.43Å; Q730-E734 PolarHBondContact O-N 3.09Å
731	Y	52.5	Low	59.3	Low	158 Å²	158	80.6 Å²	80.6	62%	0.62	41%	0.414	S	S	*	.	H	α-helix	trans	-62.7	-39.2	173.8	-177.1	-96.5	0	0	0	112.6	S727 S728 T735	S727-Y731 WeakPolarHBondContact O-CB 3.43Å; S727-Y731 PolarHBondContact O-N 3.48Å; S728-Y731 PolarHBondContact O-N 2.98Å; Y731-T735 HydrophobicContact CD1-CG2 4.14Å; Y731-T735 HydrophobicContact CD2-CG2 4.4Å; Y731-T735 HydrophobicContact CE1-CG2 3.79Å; Y731-T735 HydrophobicContact CE2-CG2 4.07Å; Y731-T735 HydrophobicContact CG-CG2 4.44Å; Y731-T735 WeakPolarHBondContact O-CB 3.5Å; Y731-T735 VanDerWaalsContact O-CG2 3.26Å; Y731-T735 WeakPolarHBondContact O-CG2 3.35Å; Y731-T735 PolarHBondContact O-N 3.16Å; Y731-T735 PolarHBondContact O-OG1 3Å
732	E	59	Low	61.5	Low	124 Å²	124	79.6 Å²	79.6	58%	0.579	41%	0.412	S	S	*	.	H	α-helix	trans	-62.8	-38.3	172.4	-80	-177.1	-166.3	0	0	112.6	S728 I729 Q730 T735 W736	S728-E732 PolarHBondContact O-N 3.25Å; I729-E732 PolarHBondContact O-N 3.24Å; Q730-E732 PolarHBondContact O-N 2.87Å; E732-T735 WeakPolarHBondContact CA-OG1 3.42Å; E732-T735 PolarHBondContact O-OG1 2.95Å; E732-W736 WeakPolarHBondContact O-CB 3.4Å; E732-W736 PolarHBondContact O-N 3.24Å
733	V	58.8	Low	63.9	Low	45 Å²	45	75.1 Å²	75.1	27%	0.273	39%	0.389	S	S	.	.	H	α-helix	trans	-69.2	-50.6	175.9	174.6	0	0	0	0	111	I729 Q730 T735 W736 E737	I729-V733 WeakPolarHBondContact O-CG2 3.16Å; I729-V733 PolarHBondContact O-N 2.91Å; Q730-V733 PolarHBondContact O-N 3.02Å; V733-T735 VanDerWaalsContact C-N 3.32Å; V733-T735 PolarHBondContact O-N 2.96Å; V733-W736 WeakPolarHBondContact O-CA 3.3Å; V733-W736 WeakPolarHBondContact O-CB 3.33Å; V733-W736 PolarHBondContact O-N 2.98Å; V733-E737 HydrophobicContact CG1-CG 4.29Å; V733-E737 WeakPolarHBondContact O-CG 3.47Å; V733-E737 PolarHBondContact O-N 3.39Å
734	E	62.5	Low	66.6	Low	104 Å²	104	69.8 Å²	69.8	49%	0.486	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-39.1	179.8	-71.3	173.9	-168.9	0	0	112.2	Q730 S738	Q730-E734 HydrophobicContact CG-CG 4.45Å; Q730-E734 WeakPolarHBondContact CG-OE1 3.34Å; Q730-E734 PolarHBondContact NE2-OE1 3.44Å; Q730-E734 WeakPolarHBondContact O-CG 3.43Å; Q730-E734 PolarHBondContact O-N 3.09Å; E734-S738 WeakPolarHBondContact O-CB 3.34Å; E734-S738 PolarHBondContact O-N 3.44Å
735	T	76.6	Confident	69	Low	50 Å²	50	67.5 Å²	67.5	31%	0.307	35%	0.354	S	S	.	.	H	α-helix	trans	-70.9	-32.2	174.5	54.2	0	0	0	0	112.9	Y731 E732 V733 C739	Y731-T735 HydrophobicContact CD1-CG2 4.14Å; Y731-T735 HydrophobicContact CD2-CG2 4.4Å; Y731-T735 HydrophobicContact CE1-CG2 3.79Å; Y731-T735 HydrophobicContact CE2-CG2 4.07Å; Y731-T735 HydrophobicContact CG-CG2 4.44Å; Y731-T735 WeakPolarHBondContact O-CB 3.5Å; Y731-T735 VanDerWaalsContact O-CG2 3.26Å; Y731-T735 WeakPolarHBondContact O-CG2 3.35Å; Y731-T735 PolarHBondContact O-N 3.16Å; Y731-T735 PolarHBondContact O-OG1 3Å; E732-T735 WeakPolarHBondContact CA-OG1 3.42Å; E732-T735 PolarHBondContact O-OG1 2.95Å; V733-T735 VanDerWaalsContact C-N 3.32Å; V733-T735 PolarHBondContact O-N 2.96Å; T735-C739 VanDerWaalsContact O-CB 3.24Å; T735-C739 WeakPolarHBondContact O-CB 3.13Å; T735-C739 PolarHBondContact O-N 3.32Å
736	W	84.5	Confident	71.7	Confident	10 Å²	10	68 Å²	68	4%	0.038	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-52.2	173.2	-178.2	92.6	0	0	0	111.9	K525 E528 I529 M625 E732 V733 S738 C739 M740	K525-W736 VanDerWaalsContact CA-CH2 3.49Å; K525-W736 HydrophobicContact CB-CE3 4.45Å; K525-W736 HydrophobicContact CB-CH2 3.34Å; K525-W736 HydrophobicContact CB-CZ2 3.65Å; K525-W736 HydrophobicContact CB-CZ3 3.8Å; K525-W736 HydrophobicContact CD-CD2 3.94Å; K525-W736 HydrophobicContact CD-CE3 4.32Å; K525-W736 HydrophobicContact CD-CG 4.44Å; K525-W736 HydrophobicContact CD-CH2 4.25Å; K525-W736 HydrophobicContact CD-CZ2 3.86Å; K525-W736 HydrophobicContact CD-CZ3 4.47Å; K525-W736 HydrophobicContact CG-CD2 3.96Å; K525-W736 HydrophobicContact CG-CE3 3.81Å; K525-W736 HydrophobicContact CG-CH2 3.61Å; K525-W736 HydrophobicContact CG-CZ2 3.75Å; K525-W736 HydrophobicContact CG-CZ3 3.64Å; K525-W736 WeakPolarHBondContact O-CH2 3.42Å; E528-W736 HydrophobicContact CB-CH2 4.27Å; E528-W736 HydrophobicContact CB-CZ3 3.82Å; E528-W736 HydrophobicContact CG-CH2 4.35Å; E528-W736 HydrophobicContact CG-CZ3 3.77Å; I529-W736 HydrophobicContact CD1-CH2 4.34Å; I529-W736 HydrophobicContact CD1-CZ2 4.37Å; I529-W736 HydrophobicContact CG1-CH2 4.06Å; I529-W736 HydrophobicContact CG1-CZ2 4.42Å; M625-W736 VanDerWaalsContact CE-CA 3.45Å; M625-W736 HydrophobicContact CE-CB 3.65Å; M625-W736 HydrophobicContact CE-CG 4.03Å; M625-W736 HydrophobicContact SD-CB 3.98Å; M625-W736 HydrophobicContact SD-CG 3.81Å; E732-W736 WeakPolarHBondContact O-CB 3.4Å; E732-W736 PolarHBondContact O-N 3.24Å; V733-W736 WeakPolarHBondContact O-CA 3.3Å; V733-W736 WeakPolarHBondContact O-CB 3.33Å; V733-W736 PolarHBondContact O-N 2.98Å; W736-S738 PolarHBondContact O-N 3.29Å; W736-C739 PolarHBondContact O-N 3.09Å; W736-M740 HydrophobicContact CD2-CG 4.22Å; W736-M740 HydrophobicContact CE3-CG 4.49Å; W736-M740 HydrophobicContact CH2-CE 3.18Å; W736-M740 HydrophobicContact CH2-CG 4.16Å; W736-M740 HydrophobicContact CH2-SD 3.63Å; W736-M740 HydrophobicContact CZ2-CE 3.67Å; W736-M740 HydrophobicContact CZ2-CG 3.87Å; W736-M740 HydrophobicContact CZ2-SD 3.39Å; W736-M740 WeakPolarHBondContact CZ2-SD 3.29Å; W736-M740 HydrophobicContact CZ3-CE 3.73Å; W736-M740 HydrophobicContact CZ3-CG 4.46Å; W736-M740 HydrophobicContact CZ3-SD 4.42Å; W736-M740 PolarHBondContact O-N 3.33Å
737	E	83.6	Confident	74.5	Confident	60 Å²	60	64.3 Å²	64.3	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-58.8	-48.7	178.2	-67.5	-178.1	178.1	0	0	110.5	E528 V733 C739 M740 R741	E528-E737 HydrophobicContact CG-CG 4.19Å; V733-E737 HydrophobicContact CG1-CG 4.29Å; V733-E737 WeakPolarHBondContact O-CG 3.47Å; V733-E737 PolarHBondContact O-N 3.39Å; E737-C739 PolarHBondContact O-N 3.06Å; E737-M740 PolarHBondContact O-N 3.5Å; E737-R741 WeakPolarHBondContact O-CB 3.46Å; E737-R741 VanDerWaalsContact O-CG 3.29Å; E737-R741 WeakPolarHBondContact O-CG 3.43Å; E737-R741 PolarHBondContact O-N 2.7Å
738	S	84.2	Confident	77.3	Confident	60 Å²	60	62.9 Å²	62.9	42%	0.42	31%	0.311	S	S	.	.	H	α-helix	trans	-58.2	-44.2	175.8	-179.4	0	0	0	0	112.1	E734 W736 N742	E734-S738 WeakPolarHBondContact O-CB 3.34Å; E734-S738 PolarHBondContact O-N 3.44Å; W736-S738 PolarHBondContact O-N 3.29Å; S738-N742 VanDerWaalsContact O-CB 3.29Å; S738-N742 WeakPolarHBondContact O-CB 3.24Å; S738-N742 VanDerWaalsContact O-CG 3.28Å; S738-N742 PolarHBondContact O-N 3.39Å; S738-N742 PolarHBondContact O-ND2 2.9Å; S738-N742 PolarHBondContact OG-ND2 2.56Å
739	C	85.5	Confident	79.9	Confident	8 Å²	8	65.1 Å²	65.1	5%	0.054	32%	0.315	C	S	.	.	H	α-helix	trans	-68.1	-38.8	-179.7	-161.9	0	0	0	0	112.7	M625 K628 T735 W736 E737 F743	M625-C739 HydrophobicContact CG-CB 3.67Å; M625-C739 VanDerWaalsContact CG-SG 3.54Å; M625-C739 HydrophobicContact SD-CB 4Å; K628-C739 PolarHBondContact NZ-SG 2.9Å; T735-C739 VanDerWaalsContact O-CB 3.24Å; T735-C739 WeakPolarHBondContact O-CB 3.13Å; T735-C739 PolarHBondContact O-N 3.32Å; W736-C739 PolarHBondContact O-N 3.09Å; E737-C739 PolarHBondContact O-N 3.06Å; C739-F743 PolarHBondContact O-N 2.85Å
740	M	89.1	Confident	81.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-56.3	173.6	-77	-128.6	-48.3	0	0	112.1	E528 I529 I618 W736 E737 N742 F743 L744	E528-M740 HydrophobicContact CB-CE 4.47Å; E528-M740 HydrophobicContact CG-CE 3.83Å; I529-M740 HydrophobicContact CG1-CE 3.64Å; I529-M740 HydrophobicContact CG1-SD 4.15Å; I618-M740 HydrophobicContact CD1-SD 4.1Å; I618-M740 HydrophobicContact CG2-SD 4.37Å; W736-M740 HydrophobicContact CD2-CG 4.22Å; W736-M740 HydrophobicContact CE3-CG 4.49Å; W736-M740 HydrophobicContact CH2-CE 3.18Å; W736-M740 HydrophobicContact CH2-CG 4.16Å; W736-M740 HydrophobicContact CH2-SD 3.63Å; W736-M740 HydrophobicContact CZ2-CE 3.67Å; W736-M740 HydrophobicContact CZ2-CG 3.87Å; W736-M740 HydrophobicContact CZ2-SD 3.39Å; W736-M740 WeakPolarHBondContact CZ2-SD 3.29Å; W736-M740 HydrophobicContact CZ3-CE 3.73Å; W736-M740 HydrophobicContact CZ3-CG 4.46Å; W736-M740 HydrophobicContact CZ3-SD 4.42Å; W736-M740 PolarHBondContact O-N 3.33Å; E737-M740 PolarHBondContact O-N 3.5Å; M740-N742 VanDerWaalsContact C-N 3.26Å; M740-N742 PolarHBondContact O-N 2.75Å; M740-F743 PolarHBondContact O-N 3.22Å; M740-F743 VanDerWaalsContact O-N 3.07Å; M740-L744 WeakPolarHBondContact O-CG 3.47Å; M740-L744 PolarHBondContact O-N 3.49Å
741	R	91.7	Very high	84	Confident	100 Å²	100	55.9 Å²	55.9	38%	0.377	27%	0.272	S	S	.	.	H	α-helix	trans	-53.1	-45.9	-178.6	-72.5	179.5	174.3	-85.5	-6.7	110.6	E528 L531 F532 E737 F743 N745	E528-R741 WeakPolarHBondContact OE1-CG 3.21Å; E528-R741 IonicContact OE1-CZ 2.64Å; E528-R741 IonicContact OE1-NE 3.69Å; E528-R741 PolarHBondContact OE1-NE 2.85Å; E528-R741 IonicContact OE1-NH1 2.73Å; E528-R741 IonicContact OE1-NH2 3.1Å; E528-R741 PolarHBondContact OE1-NH2 3.21Å; E528-R741 IonicContact OE2-CZ 3.61Å; E528-R741 IonicContact OE2-NE 3.1Å; E528-R741 IonicContact OE2-NH2 3.67Å; E528-R741 PolarHBondContact OE2-NH2 3Å; L531-R741 VanDerWaalsContact CD1-NH2 3.26Å; F532-R741 HydrophobicContact CE2-CG 4.11Å; F532-R741 HydrophobicContact CZ-CB 4.29Å; F532-R741 HydrophobicContact CZ-CG 3.92Å; E737-R741 WeakPolarHBondContact O-CB 3.46Å; E737-R741 VanDerWaalsContact O-CG 3.29Å; E737-R741 WeakPolarHBondContact O-CG 3.43Å; E737-R741 PolarHBondContact O-N 2.7Å; R741-F743 PolarHBondContact O-N 3.37Å; R741-N745 WeakPolarHBondContact O-CB 3.41Å; R741-N745 PolarHBondContact O-N 3.01Å; R741-N745 PolarHBondContact O-ND2 3.26Å
742	N	89.5	Confident	85.9	Confident	106 Å²	106	54.5 Å²	54.5	57%	0.567	27%	0.271	S	S	*	.	H	α-helix	trans	-60.2	-43.6	178.1	-80.3	-53.1	0	0	0	113.6	S738 M740 K746	S738-N742 VanDerWaalsContact O-CB 3.29Å; S738-N742 WeakPolarHBondContact O-CB 3.24Å; S738-N742 VanDerWaalsContact O-CG 3.28Å; S738-N742 PolarHBondContact O-N 3.39Å; S738-N742 PolarHBondContact O-ND2 2.9Å; S738-N742 PolarHBondContact OG-ND2 2.56Å; M740-N742 VanDerWaalsContact C-N 3.26Å; M740-N742 PolarHBondContact O-N 2.75Å; N742-K746 WeakPolarHBondContact O-CB 3.48Å; N742-K746 PolarHBondContact O-N 3.2Å
743	F	92	Very high	87.4	Confident	16 Å²	16	53.9 Å²	53.9	7%	0.07	27%	0.268	C	S	.	.	H	α-helix	trans	-72.6	-45.3	-179.8	-179.2	-94.1	0	0	0	112.3	L575 L580 L617 C620 T621 L624 C739 M740 R741 K746 F747	L575-F743 HydrophobicContact CB-CE2 4.14Å; L575-F743 HydrophobicContact CB-CZ 4.46Å; L575-F743 HydrophobicContact CD1-CZ 4.37Å; L575-F743 HydrophobicContact CD2-CD2 4.37Å; L575-F743 HydrophobicContact CD2-CE2 4.08Å; L575-F743 HydrophobicContact CG-CE2 4.49Å; L580-F743 HydrophobicContact CD2-CE2 3.84Å; L580-F743 HydrophobicContact CD2-CZ 3.95Å; L617-F743 HydrophobicContact CD2-CE1 4.07Å; C620-F743 HydrophobicContact CB-CE1 4.22Å; C620-F743 HydrophobicContact CB-CZ 4.1Å; T621-F743 HydrophobicContact CG2-CB 3.97Å; T621-F743 HydrophobicContact CG2-CD1 3.47Å; T621-F743 VanDerWaalsContact CG2-CD1 3.47Å; T621-F743 HydrophobicContact CG2-CE1 4.21Å; T621-F743 HydrophobicContact CG2-CG 3.97Å; L624-F743 HydrophobicContact CD1-CD2 3.28Å; L624-F743 HydrophobicContact CD1-CE2 3.55Å; L624-F743 HydrophobicContact CD1-CG 4.08Å; C739-F743 PolarHBondContact O-N 2.85Å; M740-F743 PolarHBondContact O-N 3.22Å; M740-F743 VanDerWaalsContact O-N 3.07Å; R741-F743 PolarHBondContact O-N 3.37Å; F743-K746 PolarHBondContact O-N 3.15Å; F743-F747 PolarHBondContact O-N 3.11Å
744	L	93.9	Very high	89	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70.4	-38.7	-177.9	-61.2	177.7	0	0	0	111.8	F532 L536 L617 I618 T621 M740 K746 F747 L748	F532-L744 HydrophobicContact CB-CD1 4.01Å; F532-L744 HydrophobicContact CD1-CB 3.7Å; F532-L744 HydrophobicContact CD1-CD1 3.97Å; F532-L744 HydrophobicContact CD1-CG 4.49Å; F532-L744 HydrophobicContact CD2-CD1 3.66Å; F532-L744 HydrophobicContact CE1-CB 3.73Å; F532-L744 HydrophobicContact CE1-CD1 4.39Å; F532-L744 HydrophobicContact CE2-CD1 4.12Å; F532-L744 HydrophobicContact CG-CB 4.22Å; F532-L744 HydrophobicContact CG-CD1 3.58Å; F532-L744 HydrophobicContact CZ-CB 4.28Å; F532-L744 HydrophobicContact CZ-CD1 4.47Å; L536-L744 HydrophobicContact CD1-CD2 4.16Å; L617-L744 HydrophobicContact CB-CD2 4.25Å; I618-L744 HydrophobicContact CD1-CD1 3.8Å; I618-L744 HydrophobicContact CD1-CD2 4.47Å; T621-L744 HydrophobicContact CG2-CD2 4.22Å; T621-L744 HydrophobicContact CG2-CG 4.28Å; M740-L744 WeakPolarHBondContact O-CG 3.47Å; M740-L744 PolarHBondContact O-N 3.49Å; L744-K746 PolarHBondContact O-N 3.05Å; L744-F747 WeakPolarHBondContact O-CB 3.38Å; L744-F747 PolarHBondContact O-N 3.29Å; L744-L748 WeakPolarHBondContact O-CG 3.35Å; L744-L748 PolarHBondContact O-N 3.22Å
745	N	93.3	Very high	90.2	Very high	81 Å²	81	53.6 Å²	53.6	43%	0.433	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-42	171.9	-72.5	-18.1	0	0	0	111.6	F532 R741 F747 L748 Q749	F532-N745 WeakPolarHBondContact CE1-OD1 3.43Å; R741-N745 WeakPolarHBondContact O-CB 3.41Å; R741-N745 PolarHBondContact O-N 3.01Å; R741-N745 PolarHBondContact O-ND2 3.26Å; N745-F747 VanDerWaalsContact C-N 3.32Å; N745-F747 PolarHBondContact O-N 2.93Å; N745-L748 PolarHBondContact O-N 3.27Å; N745-Q749 WeakPolarHBondContact O-CB 3.47Å; N745-Q749 PolarHBondContact O-N 3.14Å
746	K	93.2	Very high	90.8	Very high	90 Å²	90	54.2 Å²	54.2	39%	0.391	27%	0.269	S	S	.	.	H	α-helix	trans	-62.7	-39.4	175.6	-174	-177.3	169.6	-168.7	0	111.9	N574 L575 N742 F743 L744 S750	N574-K746 PolarHBondContact O-NZ 3.01Å; L575-K746 HydrophobicContact CD2-CB 4.32Å; L575-K746 HydrophobicContact CD2-CD 3.63Å; L575-K746 HydrophobicContact CD2-CG 3.9Å; N742-K746 WeakPolarHBondContact O-CB 3.48Å; N742-K746 PolarHBondContact O-N 3.2Å; F743-K746 PolarHBondContact O-N 3.15Å; L744-K746 PolarHBondContact O-N 3.05Å; K746-S750 WeakPolarHBondContact O-CB 3.5Å; K746-S750 PolarHBondContact O-N 3.31Å; K746-S750 VanDerWaalsContact O-N 3.13Å; K746-S750 PolarHBondContact O-OG 3.03Å
747	F	95.6	Very high	90.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-51.3	173.5	179.7	-83.1	0	0	0	111.1	L536 A539 L543 I569 L570 F573 L575 F613 L617 F743 L744 N745 Q749 S750 V751	L536-F747 HydrophobicContact CD2-CD1 3.62Å; L536-F747 HydrophobicContact CD2-CE1 3.87Å; A539-F747 HydrophobicContact CB-CE1 4.32Å; L543-F747 HydrophobicContact CD1-CE1 4.36Å; L543-F747 HydrophobicContact CD1-CZ 3.82Å; I569-F747 HydrophobicContact CG2-CE2 3.96Å; I569-F747 HydrophobicContact CG2-CZ 4.31Å; L570-F747 HydrophobicContact CD2-CD2 4.19Å; L570-F747 HydrophobicContact CD2-CE2 4.22Å; F573-F747 AromaticContact CD2-CD2 3.99Å; F573-F747 HydrophobicContact CD2-CD2 3.99Å; F573-F747 AromaticContact CD2-CE2 3.96Å; F573-F747 HydrophobicContact CD2-CE2 3.96Å; F573-F747 HydrophobicContact CE2-CD2 4.31Å; F573-F747 AromaticContact CE2-CE2 3.95Å; F573-F747 HydrophobicContact CE2-CE2 3.95Å; F573-F747 HydrophobicContact CE2-CZ 4.13Å; L575-F747 HydrophobicContact CD1-CB 4.06Å; L575-F747 HydrophobicContact CD1-CD2 3.59Å; L575-F747 HydrophobicContact CD1-CG 4.31Å; F613-F747 HydrophobicContact CE2-CE2 4.38Å; F613-F747 AromaticContact CE2-CZ 3.84Å; F613-F747 HydrophobicContact CE2-CZ 3.84Å; F613-F747 AromaticContact CZ-CE1 3.86Å; F613-F747 HydrophobicContact CZ-CE1 3.86Å; F613-F747 HydrophobicContact CZ-CE2 4.41Å; F613-F747 AromaticContact CZ-CZ 3.54Å; F613-F747 HydrophobicContact CZ-CZ 3.54Å; L617-F747 HydrophobicContact CD1-CD1 4.43Å; L617-F747 HydrophobicContact CD1-CE1 4.32Å; L617-F747 HydrophobicContact CD1-CE2 4.44Å; L617-F747 HydrophobicContact CD1-CZ 4.35Å; L617-F747 HydrophobicContact CD2-CD2 4.01Å; L617-F747 HydrophobicContact CD2-CE2 4.15Å; F743-F747 PolarHBondContact O-N 3.11Å; L744-F747 WeakPolarHBondContact O-CB 3.38Å; L744-F747 PolarHBondContact O-N 3.29Å; N745-F747 VanDerWaalsContact C-N 3.32Å; N745-F747 PolarHBondContact O-N 2.93Å; F747-Q749 PolarHBondContact O-N 3.47Å; F747-S750 WeakPolarHBondContact O-CB 3.33Å; F747-S750 PolarHBondContact O-N 2.98Å; F747-S750 VanDerWaalsContact O-N 3.17Å; F747-V751 HydrophobicContact CD1-CG2 4.16Å; F747-V751 HydrophobicContact CE1-CG2 3.71Å; F747-V751 HydrophobicContact CZ-CG2 4.13Å; F747-V751 WeakPolarHBondContact O-CG2 3.3Å; F747-V751 PolarHBondContact O-N 3.46Å; F747-V751 VanDerWaalsContact O-N 3.11Å
748	L	95.5	Very high	90.9	Very high	36 Å²	36	57.5 Å²	57.5	19%	0.188	29%	0.288	C	S	.	.	H	α-helix	trans	-60.7	-44.8	-179.8	-72.4	168.9	0	0	0	112.4	F532 P535 L536 A539 L744 N745 S750 V751 E752	F532-L748 HydrophobicContact CD1-CD1 4.04Å; F532-L748 HydrophobicContact CE1-CD1 4.39Å; P535-L748 HydrophobicContact CB-CD1 3.8Å; P535-L748 HydrophobicContact CB-CD2 3.93Å; L536-L748 HydrophobicContact CD2-CD2 3.77Å; L536-L748 HydrophobicContact CD2-CG 4.06Å; L536-L748 HydrophobicContact CG-CD2 4.27Å; A539-L748 HydrophobicContact CB-CD2 4.02Å; L744-L748 WeakPolarHBondContact O-CG 3.35Å; L744-L748 PolarHBondContact O-N 3.22Å; N745-L748 PolarHBondContact O-N 3.27Å; L748-S750 VanDerWaalsContact C-N 3.29Å; L748-S750 PolarHBondContact O-N 3.28Å; L748-V751 WeakPolarHBondContact O-CA 3.36Å; L748-V751 WeakPolarHBondContact O-CB 3.42Å; L748-V751 PolarHBondContact O-N 2.97Å; L748-E752 PolarHBondContact O-N 3.32Å
749	Q	94.2	Very high	90.9	Very high	106 Å²	106	58.3 Å²	58.3	50%	0.495	29%	0.287	S	S	.	.	H	α-helix	trans	-57.3	-42.5	174.7	-176.1	-173.9	-16.5	0	0	111.6	N745 F747 V751 E752 E753	N745-Q749 WeakPolarHBondContact O-CB 3.47Å; N745-Q749 PolarHBondContact O-N 3.14Å; F747-Q749 PolarHBondContact O-N 3.47Å; Q749-V751 VanDerWaalsContact C-N 3.26Å; Q749-V751 PolarHBondContact O-N 2.93Å; Q749-E752 PolarHBondContact O-N 3.32Å; Q749-E753 PolarHBondContact NE2-OE1 2.77Å; Q749-E753 WeakPolarHBondContact O-CG 3.4Å; Q749-E753 PolarHBondContact O-N 3.14Å
750	S	95	Very high	90.6	Very high	16 Å²	16	65.4 Å²	65.4	11%	0.112	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-30.4	178.6	-52.2	0	0	0	0	112.2	K746 F747 L748 L754	K746-S750 WeakPolarHBondContact O-CB 3.5Å; K746-S750 PolarHBondContact O-N 3.31Å; K746-S750 VanDerWaalsContact O-N 3.13Å; K746-S750 PolarHBondContact O-OG 3.03Å; F747-S750 WeakPolarHBondContact O-CB 3.33Å; F747-S750 PolarHBondContact O-N 2.98Å; F747-S750 VanDerWaalsContact O-N 3.17Å; L748-S750 VanDerWaalsContact C-N 3.29Å; L748-S750 PolarHBondContact O-N 3.28Å; S750-L754 WeakPolarHBondContact O-CB 3.33Å; S750-L754 PolarHBondContact O-N 2.94Å
751	V	93.8	Very high	90.1	Very high	4 Å²	4	69.4 Å²	69.4	2%	0.024	33%	0.333	C	S	.	.	H	α-helix	trans	-73.1	-41.1	172.7	178.1	0	0	0	0	111.4	A539 F542 L543 F573 F747 L748 Q749 L754 Q755	A539-V751 HydrophobicContact CB-CB 4.33Å; A539-V751 HydrophobicContact CB-CG1 3.9Å; A539-V751 HydrophobicContact CB-CG2 4.15Å; F542-V751 HydrophobicContact CD1-CG1 3.58Å; F542-V751 HydrophobicContact CE1-CG1 3.97Å; L543-V751 HydrophobicContact CD1-CG2 4.07Å; L543-V751 HydrophobicContact CG-CG2 4.48Å; F573-V751 HydrophobicContact CE2-CG2 3.45Å; F573-V751 VanDerWaalsContact CE2-CG2 3.45Å; F573-V751 HydrophobicContact CZ-CB 4.48Å; F573-V751 HydrophobicContact CZ-CG2 3.66Å; F747-V751 HydrophobicContact CD1-CG2 4.16Å; F747-V751 HydrophobicContact CE1-CG2 3.71Å; F747-V751 HydrophobicContact CZ-CG2 4.13Å; F747-V751 WeakPolarHBondContact O-CG2 3.3Å; F747-V751 PolarHBondContact O-N 3.46Å; F747-V751 VanDerWaalsContact O-N 3.11Å; L748-V751 WeakPolarHBondContact O-CA 3.36Å; L748-V751 WeakPolarHBondContact O-CB 3.42Å; L748-V751 PolarHBondContact O-N 2.97Å; Q749-V751 VanDerWaalsContact C-N 3.26Å; Q749-V751 PolarHBondContact O-N 2.93Å; V751-L754 CarbonylContact O-C 3.52Å; V751-L754 PolarHBondContact O-N 3.25Å; V751-Q755 WeakPolarHBondContact O-CB 3.45Å; V751-Q755 PolarHBondContact O-N 3.33Å
752	E	92	Very high	89.2	Confident	128 Å²	128	71.9 Å²	71.9	60%	0.598	34%	0.344	S	S	*	.	H	α-helix	trans	-64.2	-40.7	176.9	-173.3	180	-175.4	0	0	112.1	L748 Q749 Q755 T756	L748-E752 PolarHBondContact O-N 3.32Å; Q749-E752 PolarHBondContact O-N 3.32Å; E752-Q755 PolarHBondContact O-N 3.22Å; E752-T756 WeakPolarHBondContact O-CB 3.35Å; E752-T756 PolarHBondContact O-N 2.81Å; E752-T756 PolarHBondContact O-OG1 3.38Å
753	E	91.4	Very high	88.2	Confident	112 Å²	112	74.4 Å²	74.4	52%	0.523	35%	0.352	S	S	.	.	H	α-helix	trans	-60.3	-44.7	171.5	-73.5	174.3	-162.6	0	0	111.2	Q749 T756 L757	Q749-E753 PolarHBondContact NE2-OE1 2.77Å; Q749-E753 WeakPolarHBondContact O-CG 3.4Å; Q749-E753 PolarHBondContact O-N 3.14Å; E753-T756 PolarHBondContact O-N 3.38Å; E753-L757 WeakPolarHBondContact O-CB 3.18Å; E753-L757 PolarHBondContact O-N 2.91Å
754	L	91.4	Very high	87	Confident	55 Å²	55	80.9 Å²	80.9	29%	0.288	39%	0.387	S	S	.	.	H	α-helix	trans	-65.7	-37.3	175.6	-179.4	61.3	0	0	0	112.5	F542 L543 I546 F573 S750 V751 L757 H758	F542-L754 HydrophobicContact CE1-CB 4.31Å; F542-L754 HydrophobicContact CE1-CD2 4.06Å; F542-L754 HydrophobicContact CE1-CG 3.99Å; F542-L754 HydrophobicContact CZ-CG 4.19Å; L543-L754 HydrophobicContact CD2-CD2 4.08Å; I546-L754 HydrophobicContact CD1-CG 4.46Å; F573-L754 HydrophobicContact CE1-CD2 4.14Å; F573-L754 HydrophobicContact CZ-CD2 4.2Å; S750-L754 WeakPolarHBondContact O-CB 3.33Å; S750-L754 PolarHBondContact O-N 2.94Å; V751-L754 CarbonylContact O-C 3.52Å; V751-L754 PolarHBondContact O-N 3.25Å; L754-L757 PolarHBondContact O-N 3.49Å; L754-H758 VanDerWaalsContact O-CB 3.31Å; L754-H758 WeakPolarHBondContact O-CB 3.34Å; L754-H758 PolarHBondContact O-N 3.02Å
755	Q	88.5	Confident	85.1	Confident	87 Å²	87	89.3 Å²	89.3	41%	0.407	43%	0.432	S	S	.	.	H	α-helix	trans	-68	-42.3	176	-174.6	168.8	-3.6	0	0	111.8	F542 V751 E752 L757 H758 N759	F542-Q755 HydrophobicContact CD2-CB 4.35Å; F542-Q755 HydrophobicContact CD2-CG 4.09Å; F542-Q755 HydrophobicContact CE1-CB 4.04Å; F542-Q755 HydrophobicContact CE2-CB 3.71Å; F542-Q755 HydrophobicContact CE2-CG 3.67Å; F542-Q755 HydrophobicContact CZ-CB 3.53Å; F542-Q755 HydrophobicContact CZ-CG 4.06Å; V751-Q755 WeakPolarHBondContact O-CB 3.45Å; V751-Q755 PolarHBondContact O-N 3.33Å; E752-Q755 PolarHBondContact O-N 3.22Å; Q755-L757 VanDerWaalsContact C-N 3.34Å; Q755-L757 PolarHBondContact O-N 3.14Å; Q755-H758 PolarHBondContact O-N 2.84Å; Q755-N759 WeakPolarHBondContact O-CB 3.33Å; Q755-N759 PolarHBondContact O-N 3.49Å; Q755-N759 PolarHBondContact O-ND2 3.35Å
756	T	87.9	Confident	84.7	Confident	63 Å²	63	89.7 Å²	89.7	39%	0.387	43%	0.432	S	S	.	.	H	α-helix	trans	-59.8	-45.1	172.4	-60	0	0	0	0	111.1	E752 E753 R760	E752-T756 WeakPolarHBondContact O-CB 3.35Å; E752-T756 PolarHBondContact O-N 2.81Å; E752-T756 PolarHBondContact O-OG1 3.38Å; E753-T756 PolarHBondContact O-N 3.38Å; T756-R760 WeakPolarHBondContact O-CG 3.31Å; T756-R760 PolarHBondContact O-N 2.67Å
757	L	87.3	Confident	84.2	Confident	95 Å²	95	89.7 Å²	89.7	50%	0.497	43%	0.434	S	S	.	.	H	α-helix	trans	-65.2	-45.2	177.2	-178.1	61.7	0	0	0	112.2	E753 L754 Q755 N759 R760 I761	E753-L757 WeakPolarHBondContact O-CB 3.18Å; E753-L757 PolarHBondContact O-N 2.91Å; L754-L757 PolarHBondContact O-N 3.49Å; Q755-L757 VanDerWaalsContact C-N 3.34Å; Q755-L757 PolarHBondContact O-N 3.14Å; L757-N759 VanDerWaalsContact C-N 3.34Å; L757-N759 PolarHBondContact O-N 3.37Å; L757-R760 PolarHBondContact O-N 2.88Å; L757-I761 HydrophobicContact CD1-CD1 4.2Å; L757-I761 HydrophobicContact CD1-CG1 4.49Å; L757-I761 HydrophobicContact CG-CD1 4Å; L757-I761 WeakPolarHBondContact O-CG1 3.35Å; L757-I761 PolarHBondContact O-N 2.74Å
758	H	84.8	Confident	83.6	Confident	45 Å²	45	94.7 Å²	94.7	21%	0.208	46%	0.458	C	S	.	.	H	α-helix	trans	-61.3	-41.9	177.8	-178.9	81.9	0	0	0	112.1	F542 I546 K549 L754 Q755 I761 Y762	F542-H758 HydrophobicContact CZ-CB 4.38Å; I546-H758 HydrophobicContact CD1-CB 3.84Å; K549-H758 WeakPolarHBondContact CD-CE1 3.32Å; K549-H758 PolarHBondContact NZ-NE2 2.91Å; K549-H758 VanDerWaalsContact NZ-NE2 3.17Å; L754-H758 VanDerWaalsContact O-CB 3.31Å; L754-H758 WeakPolarHBondContact O-CB 3.34Å; L754-H758 PolarHBondContact O-N 3.02Å; Q755-H758 PolarHBondContact O-N 2.84Å; H758-I761 PolarHBondContact O-N 2.9Å; H758-Y762 WeakPolarHBondContact O-CB 3.14Å; H758-Y762 PolarHBondContact O-N 2.84Å
759	N	82.6	Confident	82.9	Confident	77 Å²	77	98.1 Å²	98.1	41%	0.412	47%	0.474	S	S	.	.	H	α-helix	trans	-65.3	-41	176.7	-70.3	-12.3	0	0	0	111.8	Q755 L757 Y762 Q763	Q755-N759 WeakPolarHBondContact O-CB 3.33Å; Q755-N759 PolarHBondContact O-N 3.49Å; Q755-N759 PolarHBondContact O-ND2 3.35Å; L757-N759 VanDerWaalsContact C-N 3.34Å; L757-N759 PolarHBondContact O-N 3.37Å; N759-Y762 PolarHBondContact O-N 3.49Å; N759-Q763 WeakPolarHBondContact O-CG 3.36Å; N759-Q763 PolarHBondContact O-N 2.79Å
760	R	80.6	Confident	82.2	Confident	157 Å²	157	97.6 Å²	97.6	59%	0.592	47%	0.472	S	S	*	.	H	α-helix	trans	-62	-44.2	173.3	-73.5	173.7	-178.5	-176	2.8	112.2	T756 L757 Y762 Q763 L764	T756-R760 WeakPolarHBondContact O-CG 3.31Å; T756-R760 PolarHBondContact O-N 2.67Å; L757-R760 PolarHBondContact O-N 2.88Å; R760-Y762 VanDerWaalsContact C-N 3.3Å; R760-Y762 PolarHBondContact O-N 3.22Å; R760-Q763 PolarHBondContact O-N 2.7Å; R760-L764 WeakPolarHBondContact O-CG 3.48Å; R760-L764 PolarHBondContact O-N 3.08Å
761	I	78.2	Confident	81.3	Confident	84 Å²	84	103.1 Å²	103.1	43%	0.431	50%	0.496	S	S	.	.	H	α-helix	trans	-62.8	-39.8	175.8	-67.6	167	0	0	0	110.3	L757 H758 Q763 L764 N765	L757-I761 HydrophobicContact CD1-CD1 4.2Å; L757-I761 HydrophobicContact CD1-CG1 4.49Å; L757-I761 HydrophobicContact CG-CD1 4Å; L757-I761 WeakPolarHBondContact O-CG1 3.35Å; L757-I761 PolarHBondContact O-N 2.74Å; H758-I761 PolarHBondContact O-N 2.9Å; I761-Q763 VanDerWaalsContact C-N 3.3Å; I761-Q763 PolarHBondContact O-N 2.97Å; I761-L764 PolarHBondContact O-N 3.16Å; I761-N765 PolarHBondContact O-N 3.16Å; I761-N765 PolarHBondContact O-ND2 2.93Å
762	Y	72.7	Confident	80.4	Confident	151 Å²	151	110.1 Å²	110.1	59%	0.592	53%	0.53	S	S	*	.	H	α-helix	trans	-71.4	-20.2	177.6	-168.6	-106	0	0	0	114.1	H758 N759 R760	H758-Y762 WeakPolarHBondContact O-CB 3.14Å; H758-Y762 PolarHBondContact O-N 2.84Å; N759-Y762 PolarHBondContact O-N 3.49Å; R760-Y762 VanDerWaalsContact C-N 3.3Å; R760-Y762 PolarHBondContact O-N 3.22Å
763	Q	68.2	Low	79.5	Confident	160 Å²	160	108.8 Å²	108.8	75%	0.748	53%	0.525	S	S	*	.	H	α-helix	trans	-83.9	-15.9	170.7	-74	175	-17.3	0	0	113.5	N759 R760 I761	N759-Q763 WeakPolarHBondContact O-CG 3.36Å; N759-Q763 PolarHBondContact O-N 2.79Å; R760-Q763 PolarHBondContact O-N 2.7Å; I761-Q763 VanDerWaalsContact C-N 3.3Å; I761-Q763 PolarHBondContact O-N 2.97Å
764	L	67.1	Low	78.5	Confident	151 Å²	151	108.5 Å²	108.5	79%	0.791	53%	0.525	S	S	*	.	H	α-helix	trans	-95.8	-9.3	179.3	-71.3	168.8	0	0	0	113.5	R760 I761	R760-L764 WeakPolarHBondContact O-CG 3.48Å; R760-L764 PolarHBondContact O-N 3.08Å; I761-L764 PolarHBondContact O-N 3.16Å
765	N	53.4	Low	77.4	Confident	177 Å²	177	113.4 Å²	113.4	95%	0.947	55%	0.546	S	S	*	.			trans	-112.2	0	176	-68	-86.3	0	0	0	110.7	I761	I761-N765 PolarHBondContact O-N 3.16Å; I761-N765 PolarHBondContact O-ND2 2.93Å

Retrieved 765 of 765 residues in 271.7 ms (Link to these results)

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