A0A087XNF3_POEFO Loading...

Oxysterol-binding protein

AlphaFold DB , UniProt , Accession A0A087XNF3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 763 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	39.5	Very low	33.8	Very low	248 Å²	248	147.9 Å²	147.9	100%	1.222	85%	0.848	S	S	*	*				0	124.3	0	-80.5	-174.6	171.3	0	0	107
2	S	35.2	Very low	33.7	Very low	124 Å²	124	145 Å²	145	87%	0.867	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-76.2	134.5	-159.6	-38.1	0	0	0	0	112.2
3	E	33.4	Very low	33.6	Very low	188 Å²	188	142.8 Å²	142.8	88%	0.879	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-62	145	170	-72	179.1	144.6	0	0	111.2	K5	E3-K5 PolarHBondContact O-N 3.35Å
4	P	34.4	Very low	34	Very low	126 Å²	126	142.1 Å²	142.1	82%	0.818	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-73.8	128.9	174.1	-3.3	20.3	0	0	0	110.2
5	K	31.8	Very low	34.8	Very low	197 Å²	197	137.2 Å²	137.2	86%	0.857	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-53.1	138.9	171.8	-114.1	175	176.8	176.1	0	111.7	E3	E3-K5 PolarHBondContact O-N 3.35Å
6	P	39.1	Very low	35.8	Very low	109 Å²	109	133.8 Å²	133.8	71%	0.708	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-66.5	146.8	163.3	28.4	-31.8	0	0	0	110.1	T8	P6-T8 PolarHBondContact O-N 2.97Å
7	P	32	Very low	37.8	Very low	125 Å²	125	130.8 Å²	130.8	81%	0.812	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-65.6	131.8	176.5	26.5	-31.8	0	0	0	110.5
8	T	31.3	Very low	40.5	Very low	128 Å²	128	127.6 Å²	127.6	79%	0.785	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-58.5	137.8	173.2	-23.3	0	0	0	0	110.1	P6 T10	P6-T8 PolarHBondContact O-N 2.97Å; T8-T10 PolarHBondContact O-N 3.3Å
9	P	34.2	Very low	43.2	Very low	113 Å²	113	126.9 Å²	126.9	73%	0.734	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-64.4	125	175.4	25.3	-32.1	0	0	0	109.8	T11	P9-T11 PolarHBondContact O-N 3.22Å; P9-T11 VanDerWaalsContact O-N 3.1Å
10	T	30.6	Very low	45.6	Very low	140 Å²	140	121.1 Å²	121.1	86%	0.859	71%	0.709	S	S	*	*			trans	-61.6	110.2	167.7	-2.8	0	0	0	0	108.1	T8	T8-T10 PolarHBondContact O-N 3.3Å
11	T	30.9	Very low	47.8	Very low	129 Å²	129	118.5 Å²	118.5	79%	0.791	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-58.5	127.1	169.7	-13	0	0	0	0	108.4	P9 T13	P9-T11 PolarHBondContact O-N 3.22Å; P9-T11 VanDerWaalsContact O-N 3.1Å; T11-T13 PolarHBondContact O-N 3.11Å
12	P	32	Very low	50.4	Low	113 Å²	113	106.7 Å²	106.7	73%	0.734	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-66.8	133.4	178.7	24.9	-30.5	0	0	0	110
13	T	32.9	Very low	53.2	Low	117 Å²	117	104.3 Å²	104.3	72%	0.718	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-52.7	124.8	176	-34.1	0	0	0	0	110.1	T11 G15	T11-T13 PolarHBondContact O-N 3.11Å; T13-G15 PolarHBondContact O-N 3.49Å
14	P	38.3	Very low	56	Low	133 Å²	133	96.5 Å²	96.5	86%	0.864	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	90.7	-178	29.2	-31.3	0	0	0	109.6
15	G	46.6	Very low	58.5	Low	68 Å²	68	94.3 Å²	94.3	70%	0.701	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-173	-24	177	0	0	0	0	0	115.9	T13	T13-G15 PolarHBondContact O-N 3.49Å
16	D	50.6	Low	60.8	Low	83 Å²	83	87.4 Å²	87.4	44%	0.444	52%	0.517	S	S	.	.	S	Bend	trans	-104.1	16.5	-170.9	-79.4	-30.1	0	0	0	114.7	K109	D16-K109 IonicContact OD1-NZ 2.86Å; D16-K109 PolarHBondContact OD1-NZ 3.38Å; D16-K109 IonicContact OD2-NZ 3.94Å; D16-K109 PolarHBondContact OD2-NZ 3.07Å
17	T	70.1	Confident	62.3	Low	82 Å²	82	85.4 Å²	85.4	50%	0.503	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	114.1	-176.6	3.3	0	0	0	0	112.2	V38 L39	T17-V38 HydrophobicContact CG2-CG1 4.43Å; T17-L39 VanDerWaalsContact CA-O 3.28Å; T17-L39 WeakPolarHBondContact CA-O 3.3Å; T17-L39 WeakPolarHBondContact CG2-O 3.22Å
18	Y	87.1	Confident	63	Low	74 Å²	74	89.8 Å²	89.8	29%	0.29	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.8	171.2	-163.2	-110.3	0	0	0	109.4	L39 R98 W99 A102	Y18-L39 PolarHBondContact N-O 2.87Å; Y18-L39 VanDerWaalsContact N-O 3.13Å; Y18-L39 WeakPolarHBondContact O-CB 3.44Å; Y18-L39 PolarHBondContact O-N 3.1Å; Y18-R98 WeakPolarHBondContact OH-CB 3.38Å; Y18-W99 AromaticContact CD1-CD2 3.81Å; Y18-W99 HydrophobicContact CD1-CD2 3.81Å; Y18-W99 AromaticContact CD1-CE3 3.62Å; Y18-W99 HydrophobicContact CD1-CE3 3.62Å; Y18-W99 AromaticContact CD1-CH2 3.87Å; Y18-W99 HydrophobicContact CD1-CH2 3.87Å; Y18-W99 HydrophobicContact CD1-CZ2 4.05Å; Y18-W99 AromaticContact CD1-CZ3 3.65Å; Y18-W99 HydrophobicContact CD1-CZ3 3.65Å; Y18-W99 AromaticContact CE1-CD2 3.57Å; Y18-W99 HydrophobicContact CE1-CD2 3.57Å; Y18-W99 AromaticContact CE1-CE2 3.62Å; Y18-W99 AromaticContact CE1-CE3 3.91Å; Y18-W99 HydrophobicContact CE1-CE3 3.91Å; Y18-W99 AromaticContact CE1-CG 3.96Å; Y18-W99 HydrophobicContact CE1-CG 3.96Å; Y18-W99 HydrophobicContact CE1-CH2 4.3Å; Y18-W99 HydrophobicContact CE1-CZ2 4.01Å; Y18-W99 HydrophobicContact CE1-CZ3 4.25Å; Y18-W99 AromaticContact CE1-NE1 3.97Å; Y18-A102 HydrophobicContact CD1-CB 3.9Å; Y18-A102 HydrophobicContact CD2-CB 4.5Å; Y18-A102 HydrophobicContact CG-CB 3.9Å
19	K	91.7	Very high	63.7	Low	115 Å²	115	90.1 Å²	90.1	50%	0.5	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146.5	-177.5	65	-171.9	-178.2	-174	0	111.2	W36 F37 V38	K19-W36 HydrophobicContact CB-CZ2 3.96Å; K19-W36 HydrophobicContact CD-CZ2 3.94Å; K19-W36 HydrophobicContact CG-CH2 4.45Å; K19-W36 HydrophobicContact CG-CZ2 3.77Å; K19-F37 CarbonylContact C-O 3.54Å; K19-F37 WeakPolarHBondContact CA-O 3.39Å; K19-F37 WeakPolarHBondContact CB-O 3.31Å; K19-V38 HydrophobicContact CB-CG1 4.46Å; K19-V38 HydrophobicContact CB-CG2 4.14Å
20	G	91	Very high	65	Low	10 Å²	10	91.2 Å²	91.2	10%	0.103	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.2	179.7	-177.6	0	0	0	0	0	113	F37	G20-F37 PolarHBondContact N-O 3.45Å; G20-F37 PolarHBondContact O-N 3.09Å
21	W	91.9	Very high	67.3	Low	66 Å²	66	85.2 Å²	85.2	25%	0.25	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.5	178.8	-69.2	100.4	0	0	0	111	R34 R35 W36 C49	W21-R34 HydrophobicContact CB-CG 4.35Å; W21-R34 HydrophobicContact CD2-CG 4.18Å; W21-R34 HydrophobicContact CE3-CB 4.47Å; W21-R34 HydrophobicContact CE3-CG 3.62Å; W21-R34 VanDerWaalsContact CG-NH2 3.3Å; W21-R34 HydrophobicContact CZ3-CG 4.22Å; W21-R35 WeakPolarHBondContact CA-O 3.09Å; W21-R35 VanDerWaalsContact CE3-O 3.28Å; W21-W36 AromaticContact CD1-CE3 3.53Å; W21-W36 AromaticContact CD1-CZ3 3.37Å; W21-W36 AromaticContact CD2-CE3 3.62Å; W21-W36 HydrophobicContact CD2-CE3 3.62Å; W21-W36 HydrophobicContact CD2-CZ3 4.28Å; W21-W36 AromaticContact CE2-CE3 3.45Å; W21-W36 VanDerWaalsContact CE2-CE3 3.45Å; W21-W36 AromaticContact CE2-CZ3 3.94Å; W21-W36 HydrophobicContact CE3-CB 4.16Å; W21-W36 HydrophobicContact CE3-CE3 4.32Å; W21-W36 AromaticContact CG-CE3 3.72Å; W21-W36 HydrophobicContact CG-CE3 3.72Å; W21-W36 AromaticContact CG-CZ3 3.99Å; W21-W36 HydrophobicContact CG-CZ3 3.99Å; W21-W36 HydrophobicContact CH2-CB 4.24Å; W21-W36 HydrophobicContact CZ2-CE3 4.08Å; W21-W36 HydrophobicContact CZ3-CB 4Å; W21-W36 AromaticContact NE1-CE3 3.36Å; W21-W36 AromaticContact NE1-CZ3 3.33Å; W21-W36 VanDerWaalsContact NE1-CZ3 3.33Å; W21-C49 HydrophobicContact CH2-CB 4.06Å
22	L	93.9	Very high	70	Confident	1 Å²	1	82.6 Å²	82.6	1%	0.005	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.2	164.8	-69.3	169.5	0	0	0	109	R35 F37 F76 L88 A90 W99	L22-R35 PolarHBondContact N-O 3.3Å; L22-R35 PolarHBondContact O-N 2.81Å; L22-R35 VanDerWaalsContact O-O 3.08Å; L22-F37 HydrophobicContact CB-CD2 3.63Å; L22-F37 HydrophobicContact CB-CE2 3.72Å; L22-F37 HydrophobicContact CB-CG 4.48Å; L22-F37 HydrophobicContact CD1-CB 4.42Å; L22-F37 HydrophobicContact CD1-CD2 4.05Å; L22-F37 HydrophobicContact CD1-CE2 4.44Å; L22-F37 HydrophobicContact CD1-CG 4.11Å; L22-F37 HydrophobicContact CG-CD2 4.22Å; L22-F76 HydrophobicContact CD1-CZ 3.77Å; L22-F76 HydrophobicContact CD2-CE1 4.1Å; L22-F76 HydrophobicContact CD2-CZ 4.07Å; L22-L88 HydrophobicContact CD1-CD1 4.11Å; L22-A90 HydrophobicContact CD2-CB 3.84Å; L22-W99 HydrophobicContact CD1-CD2 3.76Å; L22-W99 HydrophobicContact CD1-CE3 4.13Å; L22-W99 HydrophobicContact CD1-CG 4.1Å; L22-W99 HydrophobicContact CD1-CZ2 4.17Å; L22-W99 HydrophobicContact CD2-CD2 4.42Å; L22-W99 HydrophobicContact CD2-CG 4.08Å; L22-W99 HydrophobicContact CG-CD2 4.23Å; L22-W99 HydrophobicContact CG-CG 4.4Å; L22-W99 HydrophobicContact CG-CZ2 4.2Å
23	F	93.7	Very high	72.7	Confident	73 Å²	73	80.3 Å²	80.3	32%	0.32	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.1	169.7	-67.8	-91.2	0	0	0	109	Y32 Q33 R34 L88 K89	F23-Y32 HydrophobicContact CB-CD1 4.04Å; F23-Y32 HydrophobicContact CB-CG 4.45Å; F23-Y32 WeakPolarHBondContact O-CD1 3.29Å; F23-Q33 CarbonylContact C-O 3.51Å; F23-Q33 WeakPolarHBondContact CA-O 3.49Å; F23-R34 HydrophobicContact CD1-CB 3.9Å; F23-R34 HydrophobicContact CD1-CG 4.28Å; F23-R34 HydrophobicContact CE1-CB 3.66Å; F23-R34 HydrophobicContact CE1-CG 3.91Å; F23-R34 HydrophobicContact CE2-CG 4.46Å; F23-R34 HydrophobicContact CZ-CB 4.27Å; F23-R34 HydrophobicContact CZ-CG 4Å; F23-L88 CarbonylContact O-C 3.57Å; F23-L88 WeakPolarHBondContact O-CA 3.46Å; F23-K89 HydrophobicContact CB-CB 4.09Å; F23-K89 PolarHBondContact N-O 2.75Å; F23-K89 PolarHBondContact O-N 3.27Å
24	K	92.9	Very high	75.6	Confident	24 Å²	24	80.8 Å²	80.8	10%	0.104	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.9	177.1	-176	-177.2	-178.2	-64.8	0	109.8	T26 Q33 R35 F37 Y46 L88	K24-T26 PolarHBondContact O-N 3.32Å; K24-Q33 PolarHBondContact N-O 3.31Å; K24-Q33 PolarHBondContact O-N 3.39Å; K24-R35 HydrophobicContact CB-CG 4.2Å; K24-F37 HydrophobicContact CB-CE2 4.34Å; K24-F37 HydrophobicContact CB-CZ 4.13Å; K24-F37 HydrophobicContact CD-CZ 4.19Å; K24-F37 HydrophobicContact CG-CZ 4.46Å; K24-Y46 HydrophobicContact CD-CD1 4.34Å; K24-Y46 HydrophobicContact CD-CD2 4.42Å; K24-Y46 HydrophobicContact CD-CE1 3.87Å; K24-Y46 HydrophobicContact CD-CE2 3.98Å; K24-L88 HydrophobicContact CB-CD2 3.79Å; K24-L88 HydrophobicContact CG-CD2 3.79Å
25	W	87.1	Confident	78.1	Confident	80 Å²	80	76.6 Å²	76.6	30%	0.303	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	131.7	170.1	-173.5	-106.1	0	0	0	110.3	Y28 G31 Y32 H87	W25-Y28 AromaticContact CZ2-CD1 3.95Å; W25-Y28 HydrophobicContact CZ2-CD1 3.95Å; W25-Y28 HydrophobicContact CZ2-CE1 4.24Å; W25-Y28 HydrophobicContact CZ2-CG 4.34Å; W25-G31 VanDerWaalsContact CE3-C 3.46Å; W25-Y32 HydrophobicContact CB-CD1 4.17Å; W25-Y32 HydrophobicContact CB-CE1 3.84Å; W25-Y32 HydrophobicContact CD2-CE2 4.39Å; W25-Y32 HydrophobicContact CE3-CD1 4.48Å; W25-Y32 AromaticContact CE3-CD2 3.39Å; W25-Y32 HydrophobicContact CE3-CD2 3.39Å; W25-Y32 AromaticContact CE3-CE2 3.48Å; W25-Y32 HydrophobicContact CE3-CE2 3.48Å; W25-Y32 VanDerWaalsContact CE3-CE2 3.48Å; W25-Y32 AromaticContact CE3-CG 3.91Å; W25-Y32 HydrophobicContact CE3-CG 3.91Å; W25-Y32 AromaticContact CZ3-CD2 3.82Å; W25-Y32 HydrophobicContact CZ3-CD2 3.82Å; W25-Y32 HydrophobicContact CZ3-CE2 4.01Å; W25-H87 HydrophobicContact CB-CB 3.83Å; W25-H87 PolarHBondContact N-O 3.08Å
26	T	79.1	Confident	80.2	Confident	53 Å²	53	74.3 Å²	74.3	33%	0.325	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-58.2	-177.1	54.6	0	0	0	0	112.5	K24 G31 Q33	K24-T26 PolarHBondContact O-N 3.32Å; T26-G31 PolarHBondContact N-O 3.34Å; T26-G31 PolarHBondContact OG1-O 2.85Å; T26-Q33 HydrophobicContact CG2-CB 3.9Å; T26-Q33 HydrophobicContact CG2-CG 3.91Å; T26-Q33 WeakPolarHBondContact OG1-CG 3.39Å
27	N	69.9	Low	82.2	Confident	66 Å²	66	70.3 Å²	70.3	35%	0.353	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	173.4	174	59.6	41.3	0	0	0	110.2	I29 K30 G31	N27-I29 PolarHBondContact O-N 3.49Å; N27-I29 PolarHBondContact OD1-N 2.97Å; N27-I29 VanDerWaalsContact OD1-N 3.09Å; N27-K30 PolarHBondContact OD1-N 3.33Å; N27-G31 WeakPolarHBondContact O-CA 2.89Å; N27-G31 PolarHBondContact O-N 2.91Å
28	Y	46.5	Very low	83.2	Confident	218 Å²	218	67.2 Å²	67.2	86%	0.855	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.6	-178.5	-71.8	-80.3	0	0	0	115	W25	W25-Y28 AromaticContact CZ2-CD1 3.95Å; W25-Y28 HydrophobicContact CZ2-CD1 3.95Å; W25-Y28 HydrophobicContact CZ2-CE1 4.24Å; W25-Y28 HydrophobicContact CZ2-CG 4.34Å
29	I	46.7	Very low	83.4	Confident	134 Å²	134	64 Å²	64	69%	0.687	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-47.5	-179.5	-61	173.3	0	0	0	110.9	N27	N27-I29 PolarHBondContact O-N 3.49Å; N27-I29 PolarHBondContact OD1-N 2.97Å; N27-I29 VanDerWaalsContact OD1-N 3.09Å
30	K	62	Low	83.1	Confident	137 Å²	137	60.3 Å²	60.3	60%	0.596	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-17.6	-177.5	-64.3	-170.9	178.2	-174	0	112.6	N27 Q33	N27-K30 PolarHBondContact OD1-N 3.33Å; K30-Q33 HydrophobicContact CB-CG 4.12Å; K30-Q33 PolarHBondContact O-NE2 3.26Å
31	G	78.8	Confident	82.5	Confident	13 Å²	13	66.4 Å²	66.4	13%	0.134	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	56.6	-138.9	-178.2	0	0	0	0	0	113.5	W25 T26 N27	W25-G31 VanDerWaalsContact CE3-C 3.46Å; T26-G31 PolarHBondContact N-O 3.34Å; T26-G31 PolarHBondContact OG1-O 2.85Å; N27-G31 WeakPolarHBondContact O-CA 2.89Å; N27-G31 PolarHBondContact O-N 2.91Å
32	Y	86.9	Confident	82	Confident	75 Å²	75	63.7 Å²	63.7	29%	0.294	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	123.1	175.5	-84.5	-75.7	0	0	0	111.1	F23 W25 K89	F23-Y32 HydrophobicContact CB-CD1 4.04Å; F23-Y32 HydrophobicContact CB-CG 4.45Å; F23-Y32 WeakPolarHBondContact O-CD1 3.29Å; W25-Y32 HydrophobicContact CB-CD1 4.17Å; W25-Y32 HydrophobicContact CB-CE1 3.84Å; W25-Y32 HydrophobicContact CD2-CE2 4.39Å; W25-Y32 HydrophobicContact CE3-CD1 4.48Å; W25-Y32 AromaticContact CE3-CD2 3.39Å; W25-Y32 HydrophobicContact CE3-CD2 3.39Å; W25-Y32 AromaticContact CE3-CE2 3.48Å; W25-Y32 HydrophobicContact CE3-CE2 3.48Å; W25-Y32 VanDerWaalsContact CE3-CE2 3.48Å; W25-Y32 AromaticContact CE3-CG 3.91Å; W25-Y32 HydrophobicContact CE3-CG 3.91Å; W25-Y32 AromaticContact CZ3-CD2 3.82Å; W25-Y32 HydrophobicContact CZ3-CD2 3.82Å; W25-Y32 HydrophobicContact CZ3-CE2 4.01Å; Y32-K89 HydrophobicContact CD1-CB 4Å; Y32-K89 HydrophobicContact CE1-CB 3.87Å
33	Q	89.3	Confident	81.7	Confident	64 Å²	64	66.9 Å²	66.9	30%	0.299	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.1	-176.7	-69.6	-69.2	-49.8	0	0	110.3	F23 K24 T26 K30 R35	F23-Q33 CarbonylContact C-O 3.51Å; F23-Q33 WeakPolarHBondContact CA-O 3.49Å; K24-Q33 PolarHBondContact N-O 3.31Å; K24-Q33 PolarHBondContact O-N 3.39Å; T26-Q33 HydrophobicContact CG2-CB 3.9Å; T26-Q33 HydrophobicContact CG2-CG 3.91Å; T26-Q33 WeakPolarHBondContact OG1-CG 3.39Å; K30-Q33 HydrophobicContact CB-CG 4.12Å; K30-Q33 PolarHBondContact O-NE2 3.26Å; Q33-R35 PolarHBondContact O-N 2.85Å
34	R	92.8	Very high	81.5	Confident	127 Å²	127	63.4 Å²	63.4	48%	0.479	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	128	-179.6	-155.5	-173.8	172.3	-156.7	2.4	110	W21 F23	W21-R34 HydrophobicContact CB-CG 4.35Å; W21-R34 HydrophobicContact CD2-CG 4.18Å; W21-R34 HydrophobicContact CE3-CB 4.47Å; W21-R34 HydrophobicContact CE3-CG 3.62Å; W21-R34 VanDerWaalsContact CG-NH2 3.3Å; W21-R34 HydrophobicContact CZ3-CG 4.22Å; F23-R34 HydrophobicContact CD1-CB 3.9Å; F23-R34 HydrophobicContact CD1-CG 4.28Å; F23-R34 HydrophobicContact CE1-CB 3.66Å; F23-R34 HydrophobicContact CE1-CG 3.91Å; F23-R34 HydrophobicContact CE2-CG 4.46Å; F23-R34 HydrophobicContact CZ-CB 4.27Å; F23-R34 HydrophobicContact CZ-CG 4Å
35	R	92.4	Very high	81.4	Confident	45 Å²	45	63.1 Å²	63.1	17%	0.17	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.7	-178.7	-64.3	-64.7	178.6	-97	-1.6	110.2	W21 L22 K24 Q33 F37 Y46 Y47	W21-R35 WeakPolarHBondContact CA-O 3.09Å; W21-R35 VanDerWaalsContact CE3-O 3.28Å; L22-R35 PolarHBondContact N-O 3.3Å; L22-R35 PolarHBondContact O-N 2.81Å; L22-R35 VanDerWaalsContact O-O 3.08Å; K24-R35 HydrophobicContact CB-CG 4.2Å; Q33-R35 PolarHBondContact O-N 2.85Å; R35-F37 HydrophobicContact CB-CD2 4.18Å; R35-F37 HydrophobicContact CB-CE2 3.68Å; R35-F37 HydrophobicContact CB-CZ 4.49Å; R35-F37 WeakPolarHBondContact O-CD2 3.29Å; R35-Y46 HydrophobicContact CB-CD2 4.04Å; R35-Y46 HydrophobicContact CG-CD2 3.99Å; R35-Y46 HydrophobicContact CG-CE2 4.33Å; R35-Y47 WeakPolarHBondContact CD-O 3.46Å
36	W	90.4	Very high	81.6	Confident	20 Å²	20	60.5 Å²	60.5	8%	0.076	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.8	178	-176.1	-104.3	0	0	0	109.1	K19 W21 Y46 Y47 Q50 M53	K19-W36 HydrophobicContact CB-CZ2 3.96Å; K19-W36 HydrophobicContact CD-CZ2 3.94Å; K19-W36 HydrophobicContact CG-CH2 4.45Å; K19-W36 HydrophobicContact CG-CZ2 3.77Å; W21-W36 AromaticContact CD1-CE3 3.53Å; W21-W36 AromaticContact CD1-CZ3 3.37Å; W21-W36 AromaticContact CD2-CE3 3.62Å; W21-W36 HydrophobicContact CD2-CE3 3.62Å; W21-W36 HydrophobicContact CD2-CZ3 4.28Å; W21-W36 AromaticContact CE2-CE3 3.45Å; W21-W36 VanDerWaalsContact CE2-CE3 3.45Å; W21-W36 AromaticContact CE2-CZ3 3.94Å; W21-W36 HydrophobicContact CE3-CB 4.16Å; W21-W36 HydrophobicContact CE3-CE3 4.32Å; W21-W36 AromaticContact CG-CE3 3.72Å; W21-W36 HydrophobicContact CG-CE3 3.72Å; W21-W36 AromaticContact CG-CZ3 3.99Å; W21-W36 HydrophobicContact CG-CZ3 3.99Å; W21-W36 HydrophobicContact CH2-CB 4.24Å; W21-W36 HydrophobicContact CZ2-CE3 4.08Å; W21-W36 HydrophobicContact CZ3-CB 4Å; W21-W36 AromaticContact NE1-CE3 3.36Å; W21-W36 AromaticContact NE1-CZ3 3.33Å; W21-W36 VanDerWaalsContact NE1-CZ3 3.33Å; W36-Y46 CarbonylContact O-C 3.6Å; W36-Y46 VanDerWaalsContact O-CA 3.23Å; W36-Y46 WeakPolarHBondContact O-CA 3.22Å; W36-Y47 PolarHBondContact N-O 2.81Å; W36-Y47 PolarHBondContact O-N 2.84Å; W36-Q50 HydrophobicContact CD2-CB 3.96Å; W36-Q50 HydrophobicContact CD2-CG 4.26Å; W36-Q50 HydrophobicContact CE3-CB 4.46Å; W36-Q50 HydrophobicContact CG-CB 4.1Å; W36-Q50 HydrophobicContact CZ2-CB 4.46Å; W36-Q50 HydrophobicContact CZ2-CG 3.91Å; W36-M53 PolarHBondContact NE1-SD 2.67Å
37	F	92.9	Very high	82	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	143.5	-179.3	-78.3	-99.7	0	0	0	110.8	K19 G20 L22 K24 R35 L44 S45 Y46 Y86 L88 W99	K19-F37 CarbonylContact C-O 3.54Å; K19-F37 WeakPolarHBondContact CA-O 3.39Å; K19-F37 WeakPolarHBondContact CB-O 3.31Å; G20-F37 PolarHBondContact N-O 3.45Å; G20-F37 PolarHBondContact O-N 3.09Å; L22-F37 HydrophobicContact CB-CD2 3.63Å; L22-F37 HydrophobicContact CB-CE2 3.72Å; L22-F37 HydrophobicContact CB-CG 4.48Å; L22-F37 HydrophobicContact CD1-CB 4.42Å; L22-F37 HydrophobicContact CD1-CD2 4.05Å; L22-F37 HydrophobicContact CD1-CE2 4.44Å; L22-F37 HydrophobicContact CD1-CG 4.11Å; L22-F37 HydrophobicContact CG-CD2 4.22Å; K24-F37 HydrophobicContact CB-CE2 4.34Å; K24-F37 HydrophobicContact CB-CZ 4.13Å; K24-F37 HydrophobicContact CD-CZ 4.19Å; K24-F37 HydrophobicContact CG-CZ 4.46Å; R35-F37 HydrophobicContact CB-CD2 4.18Å; R35-F37 HydrophobicContact CB-CE2 3.68Å; R35-F37 HydrophobicContact CB-CZ 4.49Å; R35-F37 WeakPolarHBondContact O-CD2 3.29Å; F37-L44 HydrophobicContact CB-CD1 4.27Å; F37-L44 HydrophobicContact CD1-CD1 3.95Å; F37-L44 HydrophobicContact CD1-CD2 4.03Å; F37-L44 HydrophobicContact CD1-CG 3.9Å; F37-L44 HydrophobicContact CE1-CD2 4.31Å; F37-L44 HydrophobicContact CE1-CG 4.5Å; F37-S45 CarbonylContact C-O 3.57Å; F37-S45 WeakPolarHBondContact CA-O 3.31Å; F37-Y46 HydrophobicContact CD1-CG 4.5Å; F37-Y46 VanDerWaalsContact CE1-CB 3.48Å; F37-Y46 AromaticContact CE1-CD1 3.99Å; F37-Y46 HydrophobicContact CE1-CD1 3.99Å; F37-Y46 AromaticContact CE1-CG 3.95Å; F37-Y46 HydrophobicContact CE1-CG 3.95Å; F37-Y46 HydrophobicContact CE2-CG 4.5Å; F37-Y46 HydrophobicContact CZ-CD1 4.22Å; F37-Y46 AromaticContact CZ-CG 3.94Å; F37-Y46 HydrophobicContact CZ-CG 3.94Å; F37-Y86 HydrophobicContact CE1-CD2 4.45Å; F37-L88 HydrophobicContact CE1-CD1 4.21Å; F37-L88 HydrophobicContact CE1-CD2 4.02Å; F37-L88 HydrophobicContact CE2-CD2 4.05Å; F37-L88 HydrophobicContact CZ-CD1 4.35Å; F37-L88 HydrophobicContact CZ-CD2 3.4Å; F37-W99 HydrophobicContact CB-CH2 3.55Å; F37-W99 HydrophobicContact CB-CZ2 4.09Å; F37-W99 HydrophobicContact CB-CZ3 4.17Å
38	V	90.8	Very high	82.5	Confident	16 Å²	16	64 Å²	64	10%	0.097	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	116.5	177.7	-174.5	0	0	0	0	108	T17 K19 S45 Y47 M53	T17-V38 HydrophobicContact CG2-CG1 4.43Å; K19-V38 HydrophobicContact CB-CG1 4.46Å; K19-V38 HydrophobicContact CB-CG2 4.14Å; V38-S45 PolarHBondContact N-O 2.81Å; V38-S45 PolarHBondContact O-N 2.59Å; V38-Y47 HydrophobicContact CB-CE2 4.35Å; V38-Y47 HydrophobicContact CG2-CD2 4.27Å; V38-Y47 HydrophobicContact CG2-CE2 3.96Å; V38-M53 HydrophobicContact CG2-CE 3.78Å; V38-M53 HydrophobicContact CG2-SD 4.05Å
39	L	89.7	Confident	84	Confident	7 Å²	7	55.5 Å²	55.5	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	119.1	171.3	176.6	58.2	0	0	0	108.4	T17 Y18 L43 L44 L63 W99 A102 L103 A106	T17-L39 VanDerWaalsContact CA-O 3.28Å; T17-L39 WeakPolarHBondContact CA-O 3.3Å; T17-L39 WeakPolarHBondContact CG2-O 3.22Å; Y18-L39 PolarHBondContact N-O 2.87Å; Y18-L39 VanDerWaalsContact N-O 3.13Å; Y18-L39 WeakPolarHBondContact O-CB 3.44Å; Y18-L39 PolarHBondContact O-N 3.1Å; L39-L43 WeakPolarHBondContact CA-O 3.28Å; L39-L44 HydrophobicContact CB-CD1 4.08Å; L39-L44 HydrophobicContact CD1-CB 4.49Å; L39-L63 HydrophobicContact CD1-CD1 3.32Å; L39-W99 HydrophobicContact CB-CZ3 4.49Å; L39-A102 HydrophobicContact CD2-CB 4Å; L39-A102 WeakPolarHBondContact CD2-O 3.31Å; L39-L103 HydrophobicContact CD1-CD2 4.14Å; L39-L103 HydrophobicContact CD2-CD2 4.07Å; L39-L103 HydrophobicContact CD2-CG 4.5Å; L39-A106 HydrophobicContact CD1-CB 3.79Å; L39-A106 HydrophobicContact CD2-CB 3.79Å; L39-A106 HydrophobicContact CG-CB 4.07Å
40	S	85.8	Confident	85.6	Confident	38 Å²	38	53.8 Å²	53.8	27%	0.266	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	136	178.4	-174.7	0	0	0	0	110.2	G42 L43	S40-G42 VanDerWaalsContact C-N 3.31Å; S40-G42 PolarHBondContact O-N 3.06Å; S40-L43 PolarHBondContact N-O 2.93Å; S40-L43 WeakPolarHBondContact O-CB 3.47Å; S40-L43 PolarHBondContact O-N 3.36Å
41	N	79.7	Confident	86.1	Confident	137 Å²	137	51.6 Å²	51.6	73%	0.733	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	42.9	172.9	-57.1	-21.5	0	0	0	114.1	L43	N41-L43 PolarHBondContact O-N 2.84Å
42	G	80.6	Confident	85.6	Confident	9 Å²	9	54.2 Å²	54.2	9%	0.093	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	5.5	-178.9	0	0	0	0	0	114.9	S40 L63	S40-G42 VanDerWaalsContact C-N 3.31Å; S40-G42 PolarHBondContact O-N 3.06Å; G42-L63 VanDerWaalsContact O-CB 3.32Å; G42-L63 WeakPolarHBondContact O-CB 3.3Å; G42-L63 PolarHBondContact O-N 3.31Å
43	L	87.4	Confident	84.6	Confident	69 Å²	69	54.1 Å²	54.1	36%	0.361	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.2	177.7	-59.3	179.4	0	0	0	110.9	L39 S40 N41 T60 I61 N62	L39-L43 WeakPolarHBondContact CA-O 3.28Å; S40-L43 PolarHBondContact N-O 2.93Å; S40-L43 WeakPolarHBondContact O-CB 3.47Å; S40-L43 PolarHBondContact O-N 3.36Å; N41-L43 PolarHBondContact O-N 2.84Å; L43-T60 HydrophobicContact CB-CG2 3.83Å; L43-T60 HydrophobicContact CD1-CG2 4.22Å; L43-T60 HydrophobicContact CD2-CG2 4.2Å; L43-T60 HydrophobicContact CG-CG2 4.31Å; L43-I61 WeakPolarHBondContact CA-O 3.48Å; L43-N62 HydrophobicContact CD2-CB 3.85Å
44	L	90.8	Very high	82.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	108	169.2	-177.3	68	0	0	0	109.9	F37 L39 T60 I61 L63 I78 L88 W99 L103	F37-L44 HydrophobicContact CB-CD1 4.27Å; F37-L44 HydrophobicContact CD1-CD1 3.95Å; F37-L44 HydrophobicContact CD1-CD2 4.03Å; F37-L44 HydrophobicContact CD1-CG 3.9Å; F37-L44 HydrophobicContact CE1-CD2 4.31Å; F37-L44 HydrophobicContact CE1-CG 4.5Å; L39-L44 HydrophobicContact CB-CD1 4.08Å; L39-L44 HydrophobicContact CD1-CB 4.49Å; L44-T60 CarbonylContact O-C 3.54Å; L44-T60 VanDerWaalsContact O-CA 3.29Å; L44-T60 WeakPolarHBondContact O-CA 3.45Å; L44-I61 PolarHBondContact N-O 2.9Å; L44-I61 PolarHBondContact O-N 3.3Å; L44-L63 HydrophobicContact CB-CD2 4.27Å; L44-L63 HydrophobicContact CB-CG 4.48Å; L44-I78 HydrophobicContact CD2-CD1 3.38Å; L44-L88 HydrophobicContact CD2-CD1 4.49Å; L44-W99 HydrophobicContact CD1-CZ3 3.99Å; L44-L103 HydrophobicContact CB-CD2 4.34Å; L44-L103 HydrophobicContact CD1-CD2 3.95Å; L44-L103 HydrophobicContact CD2-CD2 3.8Å; L44-L103 HydrophobicContact CG-CD2 4.24Å
45	S	89.6	Confident	81	Confident	17 Å²	17	56.2 Å²	56.2	12%	0.119	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	149.9	-179.7	-64.7	0	0	0	0	111.5	F37 V38 G59 T60	F37-S45 CarbonylContact C-O 3.57Å; F37-S45 WeakPolarHBondContact CA-O 3.31Å; V38-S45 PolarHBondContact N-O 2.81Å; V38-S45 PolarHBondContact O-N 2.59Å; S45-G59 CarbonylContact C-O 3.53Å; S45-G59 WeakPolarHBondContact CA-O 3.12Å; S45-T60 VanDerWaalsContact OG-CG2 3.28Å; S45-T60 WeakPolarHBondContact OG-CG2 3.49Å; S45-T60 PolarHBondContact OG-OG1 2.78Å
46	Y	90.6	Very high	79.7	Confident	26 Å²	26	58.9 Å²	58.9	10%	0.102	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.9	174.4	79.5	-89.2	0	0	0	115	K24 R35 W36 F37 I58 G59 Y86	K24-Y46 HydrophobicContact CD-CD1 4.34Å; K24-Y46 HydrophobicContact CD-CD2 4.42Å; K24-Y46 HydrophobicContact CD-CE1 3.87Å; K24-Y46 HydrophobicContact CD-CE2 3.98Å; R35-Y46 HydrophobicContact CB-CD2 4.04Å; R35-Y46 HydrophobicContact CG-CD2 3.99Å; R35-Y46 HydrophobicContact CG-CE2 4.33Å; W36-Y46 CarbonylContact O-C 3.6Å; W36-Y46 VanDerWaalsContact O-CA 3.23Å; W36-Y46 WeakPolarHBondContact O-CA 3.22Å; F37-Y46 HydrophobicContact CD1-CG 4.5Å; F37-Y46 VanDerWaalsContact CE1-CB 3.48Å; F37-Y46 AromaticContact CE1-CD1 3.99Å; F37-Y46 HydrophobicContact CE1-CD1 3.99Å; F37-Y46 AromaticContact CE1-CG 3.95Å; F37-Y46 HydrophobicContact CE1-CG 3.95Å; F37-Y46 HydrophobicContact CE2-CG 4.5Å; F37-Y46 HydrophobicContact CZ-CD1 4.22Å; F37-Y46 AromaticContact CZ-CG 3.94Å; F37-Y46 HydrophobicContact CZ-CG 3.94Å; Y46-I58 HydrophobicContact CD2-CB 4.08Å; Y46-I58 HydrophobicContact CD2-CG2 4.38Å; Y46-I58 HydrophobicContact CE2-CB 3.65Å; Y46-I58 HydrophobicContact CE2-CD1 4.44Å; Y46-I58 HydrophobicContact CE2-CG2 3.46Å; Y46-I58 VanDerWaalsContact CE2-CG2 3.46Å; Y46-I58 WeakPolarHBondContact O-CB 3.28Å; Y46-I58 PolarHBondContact O-N 3.07Å; Y46-G59 WeakPolarHBondContact CD1-O 3.4Å; Y46-G59 PolarHBondContact N-O 3.35Å; Y46-Y86 AromaticContact CD1-CE2 3.93Å; Y46-Y86 HydrophobicContact CD1-CE2 3.93Å; Y46-Y86 HydrophobicContact CE1-CE1 4.27Å; Y46-Y86 AromaticContact CE1-CE2 3.85Å; Y46-Y86 HydrophobicContact CE1-CE2 3.85Å; Y46-Y86 AromaticContact CE1-CZ 3.7Å
47	Y	87.4	Confident	79.1	Confident	30 Å²	30	60.5 Å²	60.5	12%	0.118	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	160.6	-172.9	-53	-94.8	0	0	0	110	R35 W36 V38 M53 T56 C57	R35-Y47 WeakPolarHBondContact CD-O 3.46Å; W36-Y47 PolarHBondContact N-O 2.81Å; W36-Y47 PolarHBondContact O-N 2.84Å; V38-Y47 HydrophobicContact CB-CE2 4.35Å; V38-Y47 HydrophobicContact CG2-CD2 4.27Å; V38-Y47 HydrophobicContact CG2-CE2 3.96Å; Y47-M53 HydrophobicContact CD1-CG 4.49Å; Y47-M53 HydrophobicContact CD2-CG 4.06Å; Y47-M53 HydrophobicContact CE2-CG 4.22Å; Y47-M53 HydrophobicContact CG-CG 4.22Å; Y47-T56 WeakPolarHBondContact CD1-O 3.25Å; Y47-C57 HydrophobicContact CE1-CB 3.78Å
48	R	81.3	Confident	78.5	Confident	163 Å²	163	63.9 Å²	63.9	62%	0.615	36%	0.359	S	S	*	.	S	Bend	trans	-64.3	-46	174.4	-91.5	161	-165.3	-178.4	4.9	110.1	E52 I58	R48-E52 WeakPolarHBondContact CB-OE2 3.26Å; R48-I58 HydrophobicContact CB-CD1 4.01Å; R48-I58 HydrophobicContact CG-CD1 3.53Å
49	C	78.6	Confident	78.1	Confident	39 Å²	39	63.8 Å²	63.8	26%	0.264	36%	0.362	S	S	.	.	S	Bend	trans	-145.3	168.9	174.9	72.9	0	0	0	0	112.3	W21 A51 E52	W21-C49 HydrophobicContact CH2-CB 4.06Å; C49-A51 VanDerWaalsContact C-N 3.3Å; C49-A51 PolarHBondContact O-N 3.49Å; C49-E52 PolarHBondContact O-N 3.14Å
50	Q	80.3	Confident	78	Confident	98 Å²	98	65.9 Å²	65.9	46%	0.458	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-64.4	-32	-178.6	-175.2	178.5	-5	0	0	113	W36 E52 M53	W36-Q50 HydrophobicContact CD2-CB 3.96Å; W36-Q50 HydrophobicContact CD2-CG 4.26Å; W36-Q50 HydrophobicContact CE3-CB 4.46Å; W36-Q50 HydrophobicContact CG-CB 4.1Å; W36-Q50 HydrophobicContact CZ2-CB 4.46Å; W36-Q50 HydrophobicContact CZ2-CG 3.91Å; Q50-E52 VanDerWaalsContact C-N 3.26Å; Q50-E52 PolarHBondContact O-N 3.39Å; Q50-M53 HydrophobicContact CG-SD 4.2Å; Q50-M53 VanDerWaalsContact O-CG 3.28Å; Q50-M53 WeakPolarHBondContact O-CG 3.25Å; Q50-M53 PolarHBondContact O-N 3.33Å
51	A	72.2	Confident	78.1	Confident	90 Å²	90	64 Å²	64	74%	0.744	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-69.5	-22.6	179.9	0	0	0	0	0	113.1	C49 M53	C49-A51 VanDerWaalsContact C-N 3.3Å; C49-A51 PolarHBondContact O-N 3.49Å; A51-M53 VanDerWaalsContact C-N 3.33Å; A51-M53 PolarHBondContact O-N 3.1Å
52	E	67.2	Low	78.4	Confident	69 Å²	69	60.8 Å²	60.8	32%	0.322	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-87.3	3.5	-177.9	-73.8	175.4	-148.5	0	0	114	R48 C49 Q50 G54 H55	R48-E52 WeakPolarHBondContact CB-OE2 3.26Å; C49-E52 PolarHBondContact O-N 3.14Å; Q50-E52 VanDerWaalsContact C-N 3.26Å; Q50-E52 PolarHBondContact O-N 3.39Å; E52-G54 PolarHBondContact O-N 3.32Å; E52-G54 VanDerWaalsContact O-N 3.08Å; E52-H55 PolarHBondContact O-N 3.37Å; E52-H55 VanDerWaalsContact O-N 3.1Å
53	M	67.6	Low	78.7	Confident	72 Å²	72	60.3 Å²	60.3	36%	0.355	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-57.2	-25.5	-178.8	-75.8	179.3	58.3	0	0	114.1	W36 V38 Y47 Q50 A51	W36-M53 PolarHBondContact NE1-SD 2.67Å; V38-M53 HydrophobicContact CG2-CE 3.78Å; V38-M53 HydrophobicContact CG2-SD 4.05Å; Y47-M53 HydrophobicContact CD1-CG 4.49Å; Y47-M53 HydrophobicContact CD2-CG 4.06Å; Y47-M53 HydrophobicContact CE2-CG 4.22Å; Y47-M53 HydrophobicContact CG-CG 4.22Å; Q50-M53 HydrophobicContact CG-SD 4.2Å; Q50-M53 VanDerWaalsContact O-CG 3.28Å; Q50-M53 WeakPolarHBondContact O-CG 3.25Å; Q50-M53 PolarHBondContact O-N 3.33Å; A51-M53 VanDerWaalsContact C-N 3.33Å; A51-M53 PolarHBondContact O-N 3.1Å
54	G	52.7	Low	78.4	Confident	74 Å²	74	57.8 Å²	57.8	76%	0.763	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-91.8	-7.7	179.9	0	0	0	0	0	115.8	E52	E52-G54 PolarHBondContact O-N 3.32Å; E52-G54 VanDerWaalsContact O-N 3.08Å
55	H	52.9	Low	78	Confident	162 Å²	162	61.1 Å²	61.1	75%	0.75	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-47.8	-169.3	-69.5	-79.8	0	0	0	113.9	E52	E52-H55 PolarHBondContact O-N 3.37Å; E52-H55 VanDerWaalsContact O-N 3.1Å
56	T	64.4	Low	77.8	Confident	100 Å²	100	60.3 Å²	60.3	61%	0.613	34%	0.344	S	S	*	.			trans	-157.4	119.4	-179.3	-44.4	0	0	0	0	112.2	Y47	Y47-T56 WeakPolarHBondContact CD1-O 3.25Å
57	C	79.5	Confident	77.7	Confident	55 Å²	55	63.7 Å²	63.7	37%	0.372	36%	0.363	S	S	.	.			trans	-78.4	134.1	170.8	-173.3	0	0	0	0	110.3	Y47 T60	Y47-C57 HydrophobicContact CE1-CB 3.78Å; C57-T60 PolarHBondContact SG-OG1 2.91Å; C57-T60 VanDerWaalsContact SG-OG1 3.4Å
58	I	78.9	Confident	77.8	Confident	70 Å²	70	63.3 Å²	63.3	36%	0.359	36%	0.363	S	S	.	.			trans	-88.4	-31	-175.7	-56.1	-178.8	0	0	0	111.4	Y46 R48	Y46-I58 HydrophobicContact CD2-CB 4.08Å; Y46-I58 HydrophobicContact CD2-CG2 4.38Å; Y46-I58 HydrophobicContact CE2-CB 3.65Å; Y46-I58 HydrophobicContact CE2-CD1 4.44Å; Y46-I58 HydrophobicContact CE2-CG2 3.46Å; Y46-I58 VanDerWaalsContact CE2-CG2 3.46Å; Y46-I58 WeakPolarHBondContact O-CB 3.28Å; Y46-I58 PolarHBondContact O-N 3.07Å; R48-I58 HydrophobicContact CB-CD1 4.01Å; R48-I58 HydrophobicContact CG-CD1 3.53Å
59	G	82.6	Confident	78.3	Confident	15 Å²	15	58.9 Å²	58.9	16%	0.155	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	150.3	176.4	0	0	0	0	0	112	S45 Y46	S45-G59 CarbonylContact C-O 3.53Å; S45-G59 WeakPolarHBondContact CA-O 3.12Å; Y46-G59 WeakPolarHBondContact CD1-O 3.4Å; Y46-G59 PolarHBondContact N-O 3.35Å
60	T	87.8	Confident	78.8	Confident	50 Å²	50	60.6 Å²	60.6	31%	0.307	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	137.2	-177.4	-58.8	0	0	0	0	109.9	L43 L44 S45 C57 Q84	L43-T60 HydrophobicContact CB-CG2 3.83Å; L43-T60 HydrophobicContact CD1-CG2 4.22Å; L43-T60 HydrophobicContact CD2-CG2 4.2Å; L43-T60 HydrophobicContact CG-CG2 4.31Å; L44-T60 CarbonylContact O-C 3.54Å; L44-T60 VanDerWaalsContact O-CA 3.29Å; L44-T60 WeakPolarHBondContact O-CA 3.45Å; S45-T60 VanDerWaalsContact OG-CG2 3.28Å; S45-T60 WeakPolarHBondContact OG-CG2 3.49Å; S45-T60 PolarHBondContact OG-OG1 2.78Å; C57-T60 PolarHBondContact SG-OG1 2.91Å; C57-T60 VanDerWaalsContact SG-OG1 3.4Å; T60-Q84 PolarHBondContact O-OE1 3.37Å
61	I	87.4	Confident	79	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.4	170.8	-71.9	179.6	0	0	0	109.2	L43 L44 L63 A66 I78 N80 Y86	L43-I61 WeakPolarHBondContact CA-O 3.48Å; L44-I61 PolarHBondContact N-O 2.9Å; L44-I61 PolarHBondContact O-N 3.3Å; I61-L63 HydrophobicContact CG2-CD2 4.38Å; I61-A66 HydrophobicContact CG2-CB 3.77Å; I61-I78 HydrophobicContact CD1-CB 4.42Å; I61-I78 HydrophobicContact CD1-CG2 4.05Å; I61-I78 HydrophobicContact CG2-CG2 4.09Å; I61-N80 HydrophobicContact CG2-CB 4.42Å; I61-Y86 HydrophobicContact CB-CE2 4.41Å; I61-Y86 HydrophobicContact CD1-CD1 4.05Å; I61-Y86 HydrophobicContact CD1-CD2 3.22Å; I61-Y86 HydrophobicContact CD1-CE1 4.09Å; I61-Y86 HydrophobicContact CD1-CE2 3.27Å; I61-Y86 HydrophobicContact CD1-CG 3.61Å; I61-Y86 HydrophobicContact CG1-CD2 3.95Å; I61-Y86 HydrophobicContact CG1-CE1 4.46Å; I61-Y86 HydrophobicContact CG1-CE2 3.42Å; I61-Y86 VanDerWaalsContact CG1-CE2 3.42Å
62	N	86.8	Confident	79.5	Confident	68 Å²	68	60.6 Å²	60.6	36%	0.364	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	120.4	166.8	-175.1	-16.9	0	0	0	109.8	L43 A64 A66	L43-N62 HydrophobicContact CD2-CB 3.85Å; N62-A64 WeakPolarHBondContact OD1-CB 3.26Å; N62-A64 PolarHBondContact OD1-N 3.05Å; N62-A66 WeakPolarHBondContact O-CB 3.38Å
63	L	86.4	Confident	80.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-77.2	-21.6	-175.8	-64.8	179.8	0	0	0	113.9	L39 G42 L44 I61 T65 A66 I78 L103 A106 K107	L39-L63 HydrophobicContact CD1-CD1 3.32Å; G42-L63 VanDerWaalsContact O-CB 3.32Å; G42-L63 WeakPolarHBondContact O-CB 3.3Å; G42-L63 PolarHBondContact O-N 3.31Å; L44-L63 HydrophobicContact CB-CD2 4.27Å; L44-L63 HydrophobicContact CB-CG 4.48Å; I61-L63 HydrophobicContact CG2-CD2 4.38Å; L63-T65 PolarHBondContact O-N 2.85Å; L63-T65 VanDerWaalsContact O-N 3.15Å; L63-A66 HydrophobicContact CD2-CB 4.14Å; L63-A66 PolarHBondContact O-N 3.44Å; L63-A66 VanDerWaalsContact O-N 3.12Å; L63-I78 HydrophobicContact CD2-CG2 4.39Å; L63-L103 HydrophobicContact CD1-CD2 3.84Å; L63-L103 HydrophobicContact CD2-CD2 4.18Å; L63-A106 HydrophobicContact CD1-CB 3.93Å; L63-K107 HydrophobicContact CB-CB 4.13Å; L63-K107 VanDerWaalsContact O-CG 3.28Å; L63-K107 WeakPolarHBondContact O-CG 3.46Å
64	A	82.4	Confident	81.2	Confident	15 Å²	15	58 Å²	58	12%	0.124	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-58	-31.5	179.2	0	0	0	0	0	112.3	N62 A110 V111 Q114	N62-A64 WeakPolarHBondContact OD1-CB 3.26Å; N62-A64 PolarHBondContact OD1-N 3.05Å; A64-A110 HydrophobicContact CB-CB 3.97Å; A64-V111 HydrophobicContact CB-CG2 4.36Å; A64-V111 WeakPolarHBondContact O-CG2 3.45Å; A64-Q114 VanDerWaalsContact CB-OE1 3.22Å
65	T	81.9	Confident	83	Confident	71 Å²	71	55.5 Å²	55.5	44%	0.436	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-109.4	0.9	179.7	45.4	0	0	0	0	113.5	L63 N80	L63-T65 PolarHBondContact O-N 2.85Å; L63-T65 VanDerWaalsContact O-N 3.15Å; T65-N80 VanDerWaalsContact CB-OD1 3.26Å; T65-N80 WeakPolarHBondContact CB-OD1 3.46Å; T65-N80 PolarHBondContact O-OD1 3.29Å; T65-N80 VanDerWaalsContact O-OD1 3.13Å; T65-N80 PolarHBondContact OG1-ND2 3.15Å; T65-N80 PolarHBondContact OG1-OD1 3.39Å; T65-N80 VanDerWaalsContact OG1-OD1 3.08Å
66	A	85.5	Confident	84.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	136.1	-175.2	0	0	0	0	0	112.9	I61 N62 L63 I78 S79 K107	I61-A66 HydrophobicContact CG2-CB 3.77Å; N62-A66 WeakPolarHBondContact O-CB 3.38Å; L63-A66 HydrophobicContact CD2-CB 4.14Å; L63-A66 PolarHBondContact O-N 3.44Å; L63-A66 VanDerWaalsContact O-N 3.12Å; A66-I78 HydrophobicContact CB-CG2 3.88Å; A66-S79 CarbonylContact C-O 3.43Å; A66-S79 VanDerWaalsContact CA-O 3.23Å; A66-S79 WeakPolarHBondContact CA-O 3.09Å; A66-K107 WeakPolarHBondContact O-CD 3.31Å; A66-K107 WeakPolarHBondContact O-CE 3.49Å; A66-K107 PolarHBondContact O-NZ 2.92Å
67	N	86.9	Confident	86.2	Confident	96 Å²	96	43.4 Å²	43.4	51%	0.513	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126	167.6	-73.6	-20.3	0	0	0	110.6	I78 S79	N67-I78 WeakPolarHBondContact O-CA 3.46Å; N67-S79 PolarHBondContact N-O 3.05Å; N67-S79 PolarHBondContact O-N 3.47Å; N67-S79 PolarHBondContact O-OG 2.93Å
68	I	90.8	Very high	86.7	Confident	23 Å²	23	40.8 Å²	40.8	12%	0.118	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.7	178.6	-55.4	163.3	0	0	0	107.1	V77 I78 I100 L103 E104 K107	I68-V77 CarbonylContact C-O 3.54Å; I68-V77 WeakPolarHBondContact CA-O 3.34Å; I68-I78 HydrophobicContact CG1-CG1 4.33Å; I68-I78 HydrophobicContact CG1-CG2 4.37Å; I68-I78 HydrophobicContact CG2-CG1 4.49Å; I68-I100 HydrophobicContact CG2-CD1 3.48Å; I68-I100 VanDerWaalsContact CG2-CD1 3.48Å; I68-L103 HydrophobicContact CD1-CB 3.65Å; I68-E104 HydrophobicContact CD1-CG 4.35Å; I68-K107 HydrophobicContact CD1-CD 4.43Å
69	T	90.6	Very high	87.1	Confident	70 Å²	70	38.9 Å²	38.9	43%	0.429	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132	-178.7	50.1	0	0	0	0	109.2	F76 V77	T69-F76 CarbonylContact O-C 3.57Å; T69-F76 VanDerWaalsContact O-CA 3.26Å; T69-F76 WeakPolarHBondContact O-CA 3.34Å; T69-F76 WeakPolarHBondContact O-CB 2.94Å; T69-V77 PolarHBondContact N-O 2.95Å; T69-V77 PolarHBondContact O-N 2.81Å; T69-V77 PolarHBondContact OG1-O 3.15Å
70	V	89.7	Confident	87	Confident	75 Å²	75	39.9 Å²	39.9	46%	0.455	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.6	176.7	179.6	0	0	0	0	107.9	I100	V70-I100 HydrophobicContact CG2-CD1 3.83Å; V70-I100 HydrophobicContact CG2-CG1 3.99Å
71	E	83.8	Confident	85.8	Confident	113 Å²	113	41.3 Å²	41.3	53%	0.528	26%	0.255	S	S	.	.			trans	-96.6	-45.2	-176.8	-69.1	-175.5	155.1	0	0	111.6	N75 V77	E71-N75 HydrophobicContact CB-CB 4.38Å; E71-N75 PolarHBondContact N-O 3.35Å; E71-V77 HydrophobicContact CG-CG2 4.01Å; E71-V77 WeakPolarHBondContact OE1-CG2 3.48Å
72	D	83.9	Confident	84.4	Confident	75 Å²	75	44.8 Å²	44.8	40%	0.401	29%	0.291	S	S	.	.	S	Bend	trans	-150.8	-165.9	178.3	69.7	28.5	0	0	0	112.7	C74 N75 R96	D72-C74 PolarHBondContact O-N 2.84Å; D72-C74 VanDerWaalsContact O-N 3.17Å; D72-C74 PolarHBondContact OD1-N 3.25Å; D72-N75 PolarHBondContact N-O 3.06Å; D72-N75 WeakPolarHBondContact OD1-CA 3.45Å; D72-N75 WeakPolarHBondContact OD1-CB 3.46Å; D72-N75 PolarHBondContact OD1-N 2.96Å; D72-N75 PolarHBondContact OD1-ND2 2.85Å; D72-N75 PolarHBondContact OD2-ND2 3.12Å; D72-R96 PolarHBondContact O-NH1 2.98Å
73	S	83.5	Confident	83.1	Confident	64 Å²	64	45.9 Å²	45.9	45%	0.448	31%	0.309	S	S	.	.	S	Bend	trans	-57.7	-27.8	-176.2	56.5	0	0	0	0	114	E93 R96	S73-E93 WeakPolarHBondContact O-CA 3.11Å; S73-E93 VanDerWaalsContact O-CB 3.24Å; S73-E93 WeakPolarHBondContact O-CB 3.29Å; S73-E93 WeakPolarHBondContact O-CG 3.39Å; S73-R96 WeakPolarHBondContact O-CD 3.5Å; S73-R96 PolarHBondContact O-NH1 3.38Å
74	C	87.6	Confident	82.6	Confident	23 Å²	23	50 Å²	50	16%	0.155	33%	0.329	C	S	.	.	S	Bend	trans	-128.5	-13.5	-179.8	-68.1	0	0	0	0	114.3	D72 K89 A90 S92	D72-C74 PolarHBondContact O-N 2.84Å; D72-C74 VanDerWaalsContact O-N 3.17Å; D72-C74 PolarHBondContact OD1-N 3.25Å; C74-K89 HydrophobicContact CB-CG 4.27Å; C74-K89 WeakPolarHBondContact O-CA 3.26Å; C74-A90 PolarHBondContact O-N 3.28Å; C74-S92 VanDerWaalsContact SG-C 3.56Å
75	N	90.1	Very high	82.7	Confident	20 Å²	20	52.4 Å²	52.4	11%	0.107	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	142.1	-174.9	-63	-56.5	0	0	0	112.3	E71 D72 L88 K89	E71-N75 HydrophobicContact CB-CB 4.38Å; E71-N75 PolarHBondContact N-O 3.35Å; D72-N75 PolarHBondContact N-O 3.06Å; D72-N75 WeakPolarHBondContact OD1-CA 3.45Å; D72-N75 WeakPolarHBondContact OD1-CB 3.46Å; D72-N75 PolarHBondContact OD1-N 2.96Å; D72-N75 PolarHBondContact OD1-ND2 2.85Å; D72-N75 PolarHBondContact OD2-ND2 3.12Å; N75-L88 CarbonylContact C-O 3.41Å; N75-L88 WeakPolarHBondContact CA-O 3.5Å; N75-K89 WeakPolarHBondContact OD1-CB 3.49Å; N75-K89 WeakPolarHBondContact OD1-CD 3.33Å; N75-K89 WeakPolarHBondContact OD1-CG 3.46Å
76	F	92.8	Very high	83.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	153.4	176	62.6	-76.9	0	0	0	110.5	L22 T69 I78 L88 A90 R96 W99 I100 L103	L22-F76 HydrophobicContact CD1-CZ 3.77Å; L22-F76 HydrophobicContact CD2-CE1 4.1Å; L22-F76 HydrophobicContact CD2-CZ 4.07Å; T69-F76 CarbonylContact O-C 3.57Å; T69-F76 VanDerWaalsContact O-CA 3.26Å; T69-F76 WeakPolarHBondContact O-CA 3.34Å; T69-F76 WeakPolarHBondContact O-CB 2.94Å; F76-I78 HydrophobicContact CD2-CG1 4.28Å; F76-I78 HydrophobicContact CE2-CD1 4.19Å; F76-I78 HydrophobicContact CE2-CG1 4.39Å; F76-L88 HydrophobicContact CD1-CB 4.3Å; F76-L88 HydrophobicContact CD2-CB 4.3Å; F76-L88 HydrophobicContact CD2-CD1 4.48Å; F76-L88 HydrophobicContact CE1-CB 3.97Å; F76-L88 HydrophobicContact CE2-CB 3.97Å; F76-L88 HydrophobicContact CE2-CD1 3.76Å; F76-L88 HydrophobicContact CE2-CG 4.46Å; F76-L88 HydrophobicContact CG-CB 4.47Å; F76-L88 HydrophobicContact CZ-CB 3.8Å; F76-L88 HydrophobicContact CZ-CD1 4.08Å; F76-L88 PolarHBondContact N-O 3.33Å; F76-L88 WeakPolarHBondContact O-CA 3.4Å; F76-L88 PolarHBondContact O-N 2.64Å; F76-L88 VanDerWaalsContact O-O 3.04Å; F76-A90 HydrophobicContact CE1-CB 4.48Å; F76-R96 HydrophobicContact CD1-CG 3.71Å; F76-R96 HydrophobicContact CE1-CG 4.15Å; F76-R96 HydrophobicContact CG-CG 4.5Å; F76-W99 HydrophobicContact CZ-CB 4.04Å; F76-I100 HydrophobicContact CB-CD1 3.88Å; F76-I100 HydrophobicContact CD2-CD1 3.58Å; F76-I100 HydrophobicContact CE2-CD1 4.2Å; F76-I100 HydrophobicContact CG-CD1 3.78Å; F76-L103 HydrophobicContact CE2-CD1 3.83Å
77	V	90.9	Very high	83.5	Confident	8 Å²	8	53.1 Å²	53.1	5%	0.048	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.3	-175.7	-178.3	0	0	0	0	110.1	I68 T69 E71 T85 Y86 H87	I68-V77 CarbonylContact C-O 3.54Å; I68-V77 WeakPolarHBondContact CA-O 3.34Å; T69-V77 PolarHBondContact N-O 2.95Å; T69-V77 PolarHBondContact O-N 2.81Å; T69-V77 PolarHBondContact OG1-O 3.15Å; E71-V77 HydrophobicContact CG-CG2 4.01Å; E71-V77 WeakPolarHBondContact OE1-CG2 3.48Å; V77-T85 HydrophobicContact CG1-CG2 3.44Å; V77-T85 VanDerWaalsContact CG1-CG2 3.44Å; V77-Y86 WeakPolarHBondContact CA-O 3.32Å; V77-H87 HydrophobicContact CG2-CB 4.36Å; V77-H87 VanDerWaalsContact CG2-ND1 3.26Å; V77-H87 WeakPolarHBondContact CG2-ND1 3.45Å
78	I	90.7	Very high	83.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.7	172.7	-51.9	177.8	0	0	0	107.6	L44 I61 L63 A66 N67 I68 F76 T85 Y86 L88 L103	L44-I78 HydrophobicContact CD2-CD1 3.38Å; I61-I78 HydrophobicContact CD1-CB 4.42Å; I61-I78 HydrophobicContact CD1-CG2 4.05Å; I61-I78 HydrophobicContact CG2-CG2 4.09Å; L63-I78 HydrophobicContact CD2-CG2 4.39Å; A66-I78 HydrophobicContact CB-CG2 3.88Å; N67-I78 WeakPolarHBondContact O-CA 3.46Å; I68-I78 HydrophobicContact CG1-CG1 4.33Å; I68-I78 HydrophobicContact CG1-CG2 4.37Å; I68-I78 HydrophobicContact CG2-CG1 4.49Å; F76-I78 HydrophobicContact CD2-CG1 4.28Å; F76-I78 HydrophobicContact CE2-CD1 4.19Å; F76-I78 HydrophobicContact CE2-CG1 4.39Å; I78-T85 CarbonylContact O-C 3.54Å; I78-T85 WeakPolarHBondContact O-CA 3.4Å; I78-Y86 PolarHBondContact N-O 3.43Å; I78-Y86 PolarHBondContact O-N 3.09Å; I78-L88 HydrophobicContact CD1-CD1 3.74Å; I78-L88 HydrophobicContact CG1-CD1 4.22Å; I78-L103 HydrophobicContact CD1-CD1 3.68Å; I78-L103 HydrophobicContact CD1-CD2 4.33Å
79	S	86.6	Confident	84	Confident	30 Å²	30	51.5 Å²	51.5	21%	0.21	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.4	-178.2	60.5	0	0	0	0	110.7	A66 N67 Q84	A66-S79 CarbonylContact C-O 3.43Å; A66-S79 VanDerWaalsContact CA-O 3.23Å; A66-S79 WeakPolarHBondContact CA-O 3.09Å; N67-S79 PolarHBondContact N-O 3.05Å; N67-S79 PolarHBondContact O-N 3.47Å; N67-S79 PolarHBondContact O-OG 2.93Å; S79-Q84 CarbonylContact C-O 3Å; S79-Q84 WeakPolarHBondContact CA-O 3.44Å
80	N	80.9	Confident	84.1	Confident	37 Å²	37	48.3 Å²	48.3	20%	0.198	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	97.5	174.4	-171.5	1.7	0	0	0	110	I61 T65 G82 A83 Q84	I61-N80 HydrophobicContact CG2-CB 4.42Å; T65-N80 VanDerWaalsContact CB-OD1 3.26Å; T65-N80 WeakPolarHBondContact CB-OD1 3.46Å; T65-N80 PolarHBondContact O-OD1 3.29Å; T65-N80 VanDerWaalsContact O-OD1 3.13Å; T65-N80 PolarHBondContact OG1-ND2 3.15Å; T65-N80 PolarHBondContact OG1-OD1 3.39Å; T65-N80 VanDerWaalsContact OG1-OD1 3.08Å; N80-G82 PolarHBondContact O-N 2.95Å; N80-A83 PolarHBondContact O-N 3.4Å; N80-Q84 PolarHBondContact N-O 2.7Å
81	G	62.3	Low	84.1	Confident	80 Å²	80	49 Å²	49	83%	0.825	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	23.8	172	0	0	0	0	0	116.5	A83	G81-A83 VanDerWaalsContact C-N 3.34Å; G81-A83 PolarHBondContact O-N 2.85Å
82	G	57.3	Low	84.5	Confident	72 Å²	72	45.9 Å²	45.9	74%	0.742	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-7.5	-178.4	0	0	0	0	0	116.2	N80	N80-G82 PolarHBondContact O-N 2.95Å
83	A	61.1	Low	84.7	Confident	92 Å²	92	47.4 Å²	47.4	76%	0.76	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-31.6	-179.3	0	0	0	0	0	113.4	N80 G81	N80-A83 PolarHBondContact O-N 3.4Å; G81-A83 VanDerWaalsContact C-N 3.34Å; G81-A83 PolarHBondContact O-N 2.85Å
84	Q	74.1	Confident	84.9	Confident	86 Å²	86	50 Å²	50	40%	0.402	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	124.5	179	-64.8	-179.4	-4.3	0	0	110.4	T60 S79 N80	T60-Q84 PolarHBondContact O-OE1 3.37Å; S79-Q84 CarbonylContact C-O 3Å; S79-Q84 WeakPolarHBondContact CA-O 3.44Å; N80-Q84 PolarHBondContact N-O 2.7Å
85	T	86.2	Confident	85	Confident	65 Å²	65	50.9 Å²	50.9	40%	0.399	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.1	178	-55.8	0	0	0	0	110.1	V77 I78	V77-T85 HydrophobicContact CG1-CG2 3.44Å; V77-T85 VanDerWaalsContact CG1-CG2 3.44Å; I78-T85 CarbonylContact O-C 3.54Å; I78-T85 WeakPolarHBondContact O-CA 3.4Å
86	Y	91.2	Very high	85.1	Confident	19 Å²	19	51 Å²	51	8%	0.075	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112.8	176.3	-65.3	-8.9	0	0	0	109.9	F37 Y46 I61 V77 I78	F37-Y86 HydrophobicContact CE1-CD2 4.45Å; Y46-Y86 AromaticContact CD1-CE2 3.93Å; Y46-Y86 HydrophobicContact CD1-CE2 3.93Å; Y46-Y86 HydrophobicContact CE1-CE1 4.27Å; Y46-Y86 AromaticContact CE1-CE2 3.85Å; Y46-Y86 HydrophobicContact CE1-CE2 3.85Å; Y46-Y86 AromaticContact CE1-CZ 3.7Å; I61-Y86 HydrophobicContact CB-CE2 4.41Å; I61-Y86 HydrophobicContact CD1-CD1 4.05Å; I61-Y86 HydrophobicContact CD1-CD2 3.22Å; I61-Y86 HydrophobicContact CD1-CE1 4.09Å; I61-Y86 HydrophobicContact CD1-CE2 3.27Å; I61-Y86 HydrophobicContact CD1-CG 3.61Å; I61-Y86 HydrophobicContact CG1-CD2 3.95Å; I61-Y86 HydrophobicContact CG1-CE1 4.46Å; I61-Y86 HydrophobicContact CG1-CE2 3.42Å; I61-Y86 VanDerWaalsContact CG1-CE2 3.42Å; V77-Y86 WeakPolarHBondContact CA-O 3.32Å; I78-Y86 PolarHBondContact N-O 3.43Å; I78-Y86 PolarHBondContact O-N 3.09Å
87	H	91.9	Very high	85	Confident	67 Å²	67	55.3 Å²	55.3	31%	0.31	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	117.4	165.8	-55.8	-95.6	0	0	0	108.7	W25 V77	W25-H87 HydrophobicContact CB-CB 3.83Å; W25-H87 PolarHBondContact N-O 3.08Å; V77-H87 HydrophobicContact CG2-CB 4.36Å; V77-H87 VanDerWaalsContact CG2-ND1 3.26Å; V77-H87 WeakPolarHBondContact CG2-ND1 3.45Å
88	L	94.2	Very high	84.9	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.6	-171.7	-58.1	179.4	0	0	0	110.4	L22 F23 K24 F37 L44 N75 F76 I78	L22-L88 HydrophobicContact CD1-CD1 4.11Å; F23-L88 CarbonylContact O-C 3.57Å; F23-L88 WeakPolarHBondContact O-CA 3.46Å; K24-L88 HydrophobicContact CB-CD2 3.79Å; K24-L88 HydrophobicContact CG-CD2 3.79Å; F37-L88 HydrophobicContact CE1-CD1 4.21Å; F37-L88 HydrophobicContact CE1-CD2 4.02Å; F37-L88 HydrophobicContact CE2-CD2 4.05Å; F37-L88 HydrophobicContact CZ-CD1 4.35Å; F37-L88 HydrophobicContact CZ-CD2 3.4Å; L44-L88 HydrophobicContact CD2-CD1 4.49Å; N75-L88 CarbonylContact C-O 3.41Å; N75-L88 WeakPolarHBondContact CA-O 3.5Å; F76-L88 HydrophobicContact CD1-CB 4.3Å; F76-L88 HydrophobicContact CD2-CB 4.3Å; F76-L88 HydrophobicContact CD2-CD1 4.48Å; F76-L88 HydrophobicContact CE1-CB 3.97Å; F76-L88 HydrophobicContact CE2-CB 3.97Å; F76-L88 HydrophobicContact CE2-CD1 3.76Å; F76-L88 HydrophobicContact CE2-CG 4.46Å; F76-L88 HydrophobicContact CG-CB 4.47Å; F76-L88 HydrophobicContact CZ-CB 3.8Å; F76-L88 HydrophobicContact CZ-CD1 4.08Å; F76-L88 PolarHBondContact N-O 3.33Å; F76-L88 WeakPolarHBondContact O-CA 3.4Å; F76-L88 PolarHBondContact O-N 2.64Å; F76-L88 VanDerWaalsContact O-O 3.04Å; I78-L88 HydrophobicContact CD1-CD1 3.74Å; I78-L88 HydrophobicContact CG1-CD1 4.22Å
89	K	94.1	Very high	85	Confident	86 Å²	86	62.5 Å²	62.5	37%	0.374	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.9	177	-177.1	174.8	-176.7	176.3	0	110.1	F23 Y32 C74 N75	F23-K89 HydrophobicContact CB-CB 4.09Å; F23-K89 PolarHBondContact N-O 2.75Å; F23-K89 PolarHBondContact O-N 3.27Å; Y32-K89 HydrophobicContact CD1-CB 4Å; Y32-K89 HydrophobicContact CE1-CB 3.87Å; C74-K89 HydrophobicContact CB-CG 4.27Å; C74-K89 WeakPolarHBondContact O-CA 3.26Å; N75-K89 WeakPolarHBondContact OD1-CB 3.49Å; N75-K89 WeakPolarHBondContact OD1-CD 3.33Å; N75-K89 WeakPolarHBondContact OD1-CG 3.46Å
90	A	94	Very high	85.3	Confident	2 Å²	2	61.9 Å²	61.9	2%	0.017	36%	0.36	C	S	.	.			trans	-85	163.3	172.1	0	0	0	0	0	111.4	L22 C74 F76 S92 E95 R96	L22-A90 HydrophobicContact CD2-CB 3.84Å; C74-A90 PolarHBondContact O-N 3.28Å; F76-A90 HydrophobicContact CE1-CB 4.48Å; A90-S92 VanDerWaalsContact C-N 3.27Å; A90-S92 PolarHBondContact O-N 2.67Å; A90-E95 HydrophobicContact CB-CB 4.19Å; A90-E95 HydrophobicContact CB-CG 4.32Å; A90-R96 HydrophobicContact CB-CB 3.76Å; A90-R96 VanDerWaalsContact CB-N 3.34Å
91	S	89.5	Confident	85.7	Confident	90 Å²	90	63.5 Å²	63.5	63%	0.629	37%	0.371	S	S	*	.	S	Bend	trans	-73.7	-20.2	179.2	72.1	0	0	0	0	113.2	E95	S91-E95 WeakPolarHBondContact CB-OE2 3.4Å; S91-E95 PolarHBondContact N-OE2 3.11Å; S91-E95 PolarHBondContact OG-OE2 2.97Å
92	S	90.8	Very high	87	Confident	47 Å²	47	60.6 Å²	60.6	33%	0.329	34%	0.34	S	S	.	.	S	Bend	trans	-152.9	163	177	62.6	0	0	0	0	111.4	C74 A90 I94 E95 R96	C74-S92 VanDerWaalsContact SG-C 3.56Å; A90-S92 VanDerWaalsContact C-N 3.27Å; A90-S92 PolarHBondContact O-N 2.67Å; S92-I94 VanDerWaalsContact C-N 3.26Å; S92-I94 PolarHBondContact O-N 2.92Å; S92-E95 PolarHBondContact O-N 2.76Å; S92-E95 VanDerWaalsContact O-N 3.15Å; S92-E95 WeakPolarHBondContact OG-CB 3.33Å; S92-E95 PolarHBondContact OG-N 3.48Å; S92-E95 VanDerWaalsContact OG-N 3.17Å; S92-R96 PolarHBondContact O-N 3.01Å
93	E	88.8	Confident	88.6	Confident	108 Å²	108	57.2 Å²	57.2	51%	0.505	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-36.5	175.2	179.2	167.7	-158.1	0	0	112.7	S73 R96 Q97	S73-E93 WeakPolarHBondContact O-CA 3.11Å; S73-E93 VanDerWaalsContact O-CB 3.24Å; S73-E93 WeakPolarHBondContact O-CB 3.29Å; S73-E93 WeakPolarHBondContact O-CG 3.39Å; E93-R96 WeakPolarHBondContact O-CB 3.4Å; E93-R96 PolarHBondContact O-N 3.13Å; E93-R96 IonicContact OE1-NH1 3.35Å; E93-R96 IonicContact OE1-NH2 2.68Å; E93-Q97 WeakPolarHBondContact O-CB 3.41Å; E93-Q97 PolarHBondContact O-N 3.22Å
94	I	88.4	Confident	90	Very high	117 Å²	117	56.7 Å²	56.7	60%	0.6	29%	0.286	S	S	*	.	H	α-helix	trans	-64.9	-42.6	175.9	-60.1	172.9	0	0	0	110.3	S92 Q97 R98	S92-I94 VanDerWaalsContact C-N 3.26Å; S92-I94 PolarHBondContact O-N 2.92Å; I94-Q97 PolarHBondContact O-N 3.23Å; I94-R98 WeakPolarHBondContact O-CG 3.5Å; I94-R98 PolarHBondContact O-N 3.37Å
95	E	88.3	Confident	90.5	Very high	43 Å²	43	58.1 Å²	58.1	20%	0.201	30%	0.296	C	S	.	.	H	α-helix	trans	-69.6	-39.8	177.7	-170	-178.8	-144.9	0	0	111.8	A90 S91 S92 Q97 R98 W99	A90-E95 HydrophobicContact CB-CB 4.19Å; A90-E95 HydrophobicContact CB-CG 4.32Å; S91-E95 WeakPolarHBondContact CB-OE2 3.4Å; S91-E95 PolarHBondContact N-OE2 3.11Å; S91-E95 PolarHBondContact OG-OE2 2.97Å; S92-E95 PolarHBondContact O-N 2.76Å; S92-E95 VanDerWaalsContact O-N 3.15Å; S92-E95 WeakPolarHBondContact OG-CB 3.33Å; S92-E95 PolarHBondContact OG-N 3.48Å; S92-E95 VanDerWaalsContact OG-N 3.17Å; E95-Q97 VanDerWaalsContact C-N 3.3Å; E95-Q97 PolarHBondContact O-N 2.89Å; E95-R98 PolarHBondContact O-N 3.04Å; E95-W99 PolarHBondContact O-N 3.34Å
96	R	93.3	Very high	90.5	Very high	22 Å²	22	56 Å²	56	8%	0.083	29%	0.285	C	S	.	.	H	α-helix	trans	-54.8	-49.2	170.9	-174.6	-147.1	62.9	-162.7	-10.1	110	D72 S73 F76 A90 S92 E93 R98 W99 I100	D72-R96 PolarHBondContact O-NH1 2.98Å; S73-R96 WeakPolarHBondContact O-CD 3.5Å; S73-R96 PolarHBondContact O-NH1 3.38Å; F76-R96 HydrophobicContact CD1-CG 3.71Å; F76-R96 HydrophobicContact CE1-CG 4.15Å; F76-R96 HydrophobicContact CG-CG 4.5Å; A90-R96 HydrophobicContact CB-CB 3.76Å; A90-R96 VanDerWaalsContact CB-N 3.34Å; S92-R96 PolarHBondContact O-N 3.01Å; E93-R96 WeakPolarHBondContact O-CB 3.4Å; E93-R96 PolarHBondContact O-N 3.13Å; E93-R96 IonicContact OE1-NH1 3.35Å; E93-R96 IonicContact OE1-NH2 2.68Å; R96-R98 VanDerWaalsContact C-N 3.32Å; R96-R98 PolarHBondContact O-N 3.3Å; R96-W99 PolarHBondContact O-N 3.35Å; R96-I100 HydrophobicContact CG-CG1 4.38Å; R96-I100 WeakPolarHBondContact O-CG1 3.3Å; R96-I100 PolarHBondContact O-N 3.35Å
97	Q	89.4	Confident	90.3	Very high	91 Å²	91	56.9 Å²	56.9	43%	0.425	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-40.6	-179.1	-163.7	61.8	33.2	0	0	112.1	E93 I94 E95 I100 T101	E93-Q97 WeakPolarHBondContact O-CB 3.41Å; E93-Q97 PolarHBondContact O-N 3.22Å; I94-Q97 PolarHBondContact O-N 3.23Å; E95-Q97 VanDerWaalsContact C-N 3.3Å; E95-Q97 PolarHBondContact O-N 2.89Å; Q97-I100 PolarHBondContact O-N 2.94Å; Q97-T101 WeakPolarHBondContact O-CB 3.41Å; Q97-T101 PolarHBondContact O-N 2.94Å; Q97-T101 PolarHBondContact O-OG1 3.05Å
98	R	90.4	Very high	90	Very high	159 Å²	159	56 Å²	56	60%	0.6	29%	0.294	S	S	*	.	H	α-helix	trans	-62	-43.3	175.1	-71.7	173.6	179.3	-179.6	0.1	112.1	Y18 I94 E95 R96 A102	Y18-R98 WeakPolarHBondContact OH-CB 3.38Å; I94-R98 WeakPolarHBondContact O-CG 3.5Å; I94-R98 PolarHBondContact O-N 3.37Å; E95-R98 PolarHBondContact O-N 3.04Å; R96-R98 VanDerWaalsContact C-N 3.32Å; R96-R98 PolarHBondContact O-N 3.3Å; R98-A102 WeakPolarHBondContact O-CB 3.37Å; R98-A102 PolarHBondContact O-N 2.92Å
99	W	92.9	Very high	89.3	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.6	-46.8	175.6	-86.6	104.9	0	0	0	112.3	Y18 L22 F37 L39 L44 F76 E95 R96 T101 A102 L103	Y18-W99 AromaticContact CD1-CD2 3.81Å; Y18-W99 HydrophobicContact CD1-CD2 3.81Å; Y18-W99 AromaticContact CD1-CE3 3.62Å; Y18-W99 HydrophobicContact CD1-CE3 3.62Å; Y18-W99 AromaticContact CD1-CH2 3.87Å; Y18-W99 HydrophobicContact CD1-CH2 3.87Å; Y18-W99 HydrophobicContact CD1-CZ2 4.05Å; Y18-W99 AromaticContact CD1-CZ3 3.65Å; Y18-W99 HydrophobicContact CD1-CZ3 3.65Å; Y18-W99 AromaticContact CE1-CD2 3.57Å; Y18-W99 HydrophobicContact CE1-CD2 3.57Å; Y18-W99 AromaticContact CE1-CE2 3.62Å; Y18-W99 AromaticContact CE1-CE3 3.91Å; Y18-W99 HydrophobicContact CE1-CE3 3.91Å; Y18-W99 AromaticContact CE1-CG 3.96Å; Y18-W99 HydrophobicContact CE1-CG 3.96Å; Y18-W99 HydrophobicContact CE1-CH2 4.3Å; Y18-W99 HydrophobicContact CE1-CZ2 4.01Å; Y18-W99 HydrophobicContact CE1-CZ3 4.25Å; Y18-W99 AromaticContact CE1-NE1 3.97Å; L22-W99 HydrophobicContact CD1-CD2 3.76Å; L22-W99 HydrophobicContact CD1-CE3 4.13Å; L22-W99 HydrophobicContact CD1-CG 4.1Å; L22-W99 HydrophobicContact CD1-CZ2 4.17Å; L22-W99 HydrophobicContact CD2-CD2 4.42Å; L22-W99 HydrophobicContact CD2-CG 4.08Å; L22-W99 HydrophobicContact CG-CD2 4.23Å; L22-W99 HydrophobicContact CG-CG 4.4Å; L22-W99 HydrophobicContact CG-CZ2 4.2Å; F37-W99 HydrophobicContact CB-CH2 3.55Å; F37-W99 HydrophobicContact CB-CZ2 4.09Å; F37-W99 HydrophobicContact CB-CZ3 4.17Å; L39-W99 HydrophobicContact CB-CZ3 4.49Å; L44-W99 HydrophobicContact CD1-CZ3 3.99Å; F76-W99 HydrophobicContact CZ-CB 4.04Å; E95-W99 PolarHBondContact O-N 3.34Å; R96-W99 PolarHBondContact O-N 3.35Å; W99-T101 PolarHBondContact O-N 2.95Å; W99-A102 PolarHBondContact O-N 3.47Å; W99-L103 HydrophobicContact CE3-CD1 4.49Å; W99-L103 HydrophobicContact CE3-CG 4.47Å; W99-L103 WeakPolarHBondContact O-CB 3.45Å; W99-L103 WeakPolarHBondContact O-CD1 3.33Å; W99-L103 WeakPolarHBondContact O-CG 3.39Å; W99-L103 PolarHBondContact O-N 3.09Å
100	I	92.2	Very high	88.7	Confident	16 Å²	16	56.7 Å²	56.7	8%	0.082	30%	0.3	C	S	.	.	H	α-helix	trans	-60.2	-48	178.3	-67	-65.3	0	0	0	110.9	I68 V70 F76 R96 Q97 A102 L103 E104	I68-I100 HydrophobicContact CG2-CD1 3.48Å; I68-I100 VanDerWaalsContact CG2-CD1 3.48Å; V70-I100 HydrophobicContact CG2-CD1 3.83Å; V70-I100 HydrophobicContact CG2-CG1 3.99Å; F76-I100 HydrophobicContact CB-CD1 3.88Å; F76-I100 HydrophobicContact CD2-CD1 3.58Å; F76-I100 HydrophobicContact CE2-CD1 4.2Å; F76-I100 HydrophobicContact CG-CD1 3.78Å; R96-I100 HydrophobicContact CG-CG1 4.38Å; R96-I100 WeakPolarHBondContact O-CG1 3.3Å; R96-I100 PolarHBondContact O-N 3.35Å; Q97-I100 PolarHBondContact O-N 2.94Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 3.32Å; I100-L103 PolarHBondContact O-N 2.95Å; I100-E104 HydrophobicContact CG2-CG 4.27Å; I100-E104 WeakPolarHBondContact O-CB 3.32Å; I100-E104 WeakPolarHBondContact O-CG 3.35Å; I100-E104 PolarHBondContact O-N 3.37Å
101	T	89.6	Confident	88.1	Confident	71 Å²	71	58.9 Å²	58.9	44%	0.436	31%	0.312	S	S	.	.	H	α-helix	trans	-59.7	-43.6	178	-59.5	0	0	0	0	111.7	Q97 W99 L105	Q97-T101 WeakPolarHBondContact O-CB 3.41Å; Q97-T101 PolarHBondContact O-N 2.94Å; Q97-T101 PolarHBondContact O-OG1 3.05Å; W99-T101 PolarHBondContact O-N 2.95Å; T101-L105 HydrophobicContact CG2-CD1 3.94Å; T101-L105 WeakPolarHBondContact O-CB 3.38Å; T101-L105 WeakPolarHBondContact O-CD1 3.37Å; T101-L105 VanDerWaalsContact O-CG 3.27Å; T101-L105 WeakPolarHBondContact O-CG 3.39Å; T101-L105 PolarHBondContact O-N 3.32Å; T101-L105 VanDerWaalsContact O-N 3.08Å
102	A	89.2	Confident	87.6	Confident	20 Å²	20	63 Å²	63	17%	0.165	31%	0.314	C	S	.	.	H	α-helix	trans	-64.7	-41.7	177.8	0	0	0	0	0	112.2	Y18 L39 R98 W99 I100 A106	Y18-A102 HydrophobicContact CD1-CB 3.9Å; Y18-A102 HydrophobicContact CD2-CB 4.5Å; Y18-A102 HydrophobicContact CG-CB 3.9Å; L39-A102 HydrophobicContact CD2-CB 4Å; L39-A102 WeakPolarHBondContact CD2-O 3.31Å; R98-A102 WeakPolarHBondContact O-CB 3.37Å; R98-A102 PolarHBondContact O-N 2.92Å; W99-A102 PolarHBondContact O-N 3.47Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 3.32Å; A102-A106 WeakPolarHBondContact O-CB 3.42Å; A102-A106 PolarHBondContact O-N 2.96Å
103	L	91.4	Very high	86.7	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-69	-42.7	-179.7	-69.5	165.9	0	0	0	112.4	L39 L44 L63 I68 F76 I78 W99 I100 A106 K107	L39-L103 HydrophobicContact CD1-CD2 4.14Å; L39-L103 HydrophobicContact CD2-CD2 4.07Å; L39-L103 HydrophobicContact CD2-CG 4.5Å; L44-L103 HydrophobicContact CB-CD2 4.34Å; L44-L103 HydrophobicContact CD1-CD2 3.95Å; L44-L103 HydrophobicContact CD2-CD2 3.8Å; L44-L103 HydrophobicContact CG-CD2 4.24Å; L63-L103 HydrophobicContact CD1-CD2 3.84Å; L63-L103 HydrophobicContact CD2-CD2 4.18Å; I68-L103 HydrophobicContact CD1-CB 3.65Å; F76-L103 HydrophobicContact CE2-CD1 3.83Å; I78-L103 HydrophobicContact CD1-CD1 3.68Å; I78-L103 HydrophobicContact CD1-CD2 4.33Å; W99-L103 HydrophobicContact CE3-CD1 4.49Å; W99-L103 HydrophobicContact CE3-CG 4.47Å; W99-L103 WeakPolarHBondContact O-CB 3.45Å; W99-L103 WeakPolarHBondContact O-CD1 3.33Å; W99-L103 WeakPolarHBondContact O-CG 3.39Å; W99-L103 PolarHBondContact O-N 3.09Å; I100-L103 PolarHBondContact O-N 2.95Å; L103-A106 PolarHBondContact O-N 3.48Å; L103-K107 VanDerWaalsContact O-CB 3.27Å; L103-K107 WeakPolarHBondContact O-CB 3.32Å; L103-K107 PolarHBondContact O-N 2.99Å
104	E	89.2	Confident	85.5	Confident	81 Å²	81	65.3 Å²	65.3	38%	0.379	32%	0.321	S	S	.	.	H	α-helix	trans	-66.8	-40.3	177.2	-73.6	-65.7	168.3	0	0	111.8	I68 I100 K107 A108	I68-E104 HydrophobicContact CD1-CG 4.35Å; I100-E104 HydrophobicContact CG2-CG 4.27Å; I100-E104 WeakPolarHBondContact O-CB 3.32Å; I100-E104 WeakPolarHBondContact O-CG 3.35Å; I100-E104 PolarHBondContact O-N 3.37Å; E104-K107 PolarHBondContact O-N 3.01Å; E104-A108 WeakPolarHBondContact O-CB 3.15Å; E104-A108 PolarHBondContact O-N 2.83Å
105	L	85.9	Confident	84.3	Confident	117 Å²	117	64.4 Å²	64.4	61%	0.613	32%	0.317	S	S	*	.	H	α-helix	trans	-62.5	-44.3	173.5	-76.5	168.2	0	0	0	111.7	T101 A108 K109	T101-L105 HydrophobicContact CG2-CD1 3.94Å; T101-L105 WeakPolarHBondContact O-CB 3.38Å; T101-L105 WeakPolarHBondContact O-CD1 3.37Å; T101-L105 VanDerWaalsContact O-CG 3.27Å; T101-L105 WeakPolarHBondContact O-CG 3.39Å; T101-L105 PolarHBondContact O-N 3.32Å; T101-L105 VanDerWaalsContact O-N 3.08Å; L105-A108 PolarHBondContact O-N 2.77Å; L105-K109 WeakPolarHBondContact O-CB 3.21Å; L105-K109 PolarHBondContact O-N 2.86Å; L105-K109 VanDerWaalsContact O-N 3.08Å
106	A	86.5	Confident	82.7	Confident	19 Å²	19	70 Å²	70	16%	0.157	34%	0.344	C	S	.	.	H	α-helix	trans	-67.5	-36.7	177.6	0	0	0	0	0	112.4	L39 L63 A102 L103 A110	L39-A106 HydrophobicContact CD1-CB 3.79Å; L39-A106 HydrophobicContact CD2-CB 3.79Å; L39-A106 HydrophobicContact CG-CB 4.07Å; L63-A106 HydrophobicContact CD1-CB 3.93Å; A102-A106 WeakPolarHBondContact O-CB 3.42Å; A102-A106 PolarHBondContact O-N 2.96Å; L103-A106 PolarHBondContact O-N 3.48Å; A106-A110 VanDerWaalsContact O-CB 3.27Å; A106-A110 WeakPolarHBondContact O-CB 3.37Å; A106-A110 PolarHBondContact O-N 3.08Å
107	K	87.1	Confident	80.8	Confident	39 Å²	39	72.4 Å²	72.4	17%	0.17	36%	0.364	C	S	.	.	H	α-helix	trans	-62.6	-51.8	173.3	173.1	169.9	178.7	-172.6	0	111.2	L63 A66 I68 L103 E104 K109 A110 V111	L63-K107 HydrophobicContact CB-CB 4.13Å; L63-K107 VanDerWaalsContact O-CG 3.28Å; L63-K107 WeakPolarHBondContact O-CG 3.46Å; A66-K107 WeakPolarHBondContact O-CD 3.31Å; A66-K107 WeakPolarHBondContact O-CE 3.49Å; A66-K107 PolarHBondContact O-NZ 2.92Å; I68-K107 HydrophobicContact CD1-CD 4.43Å; L103-K107 VanDerWaalsContact O-CB 3.27Å; L103-K107 WeakPolarHBondContact O-CB 3.32Å; L103-K107 PolarHBondContact O-N 2.99Å; E104-K107 PolarHBondContact O-N 3.01Å; K107-K109 PolarHBondContact O-N 3.02Å; K107-A110 PolarHBondContact O-N 2.87Å; K107-A110 VanDerWaalsContact O-N 3.1Å; K107-V111 HydrophobicContact CG-CG2 4.44Å; K107-V111 WeakPolarHBondContact O-CG2 3.45Å; K107-V111 PolarHBondContact O-N 3.41Å
108	A	84.1	Confident	78.6	Confident	49 Å²	49	73.1 Å²	73.1	41%	0.405	37%	0.371	S	S	.	.	H	α-helix	trans	-58.9	-38	179.4	0	0	0	0	0	112.1	E104 L105 R112	E104-A108 WeakPolarHBondContact O-CB 3.15Å; E104-A108 PolarHBondContact O-N 2.83Å; L105-A108 PolarHBondContact O-N 2.77Å; A108-R112 WeakPolarHBondContact O-CG 3.41Å; A108-R112 PolarHBondContact O-N 2.89Å
109	K	80.8	Confident	76.1	Confident	84 Å²	84	72.9 Å²	72.9	37%	0.365	38%	0.381	S	S	.	.	H	α-helix	trans	-69.5	-41.3	174.8	-174.7	170.8	171.8	175.3	0	112.4	D16 L105 K107 R112 M113	D16-K109 IonicContact OD1-NZ 2.86Å; D16-K109 PolarHBondContact OD1-NZ 3.38Å; D16-K109 IonicContact OD2-NZ 3.94Å; D16-K109 PolarHBondContact OD2-NZ 3.07Å; L105-K109 WeakPolarHBondContact O-CB 3.21Å; L105-K109 PolarHBondContact O-N 2.86Å; L105-K109 VanDerWaalsContact O-N 3.08Å; K107-K109 PolarHBondContact O-N 3.02Å; K109-R112 PolarHBondContact O-N 3.38Å; K109-M113 HydrophobicContact CG-CE 4.34Å; K109-M113 WeakPolarHBondContact O-CG 3.21Å; K109-M113 PolarHBondContact O-N 2.98Å
110	A	81.5	Confident	73.6	Confident	16 Å²	16	78.2 Å²	78.2	13%	0.132	42%	0.419	C	S	.	.	H	α-helix	trans	-65.8	-38.8	178.6	0	0	0	0	0	112.5	A64 A106 K107 Q114	A64-A110 HydrophobicContact CB-CB 3.97Å; A106-A110 VanDerWaalsContact O-CB 3.27Å; A106-A110 WeakPolarHBondContact O-CB 3.37Å; A106-A110 PolarHBondContact O-N 3.08Å; K107-A110 PolarHBondContact O-N 2.87Å; K107-A110 VanDerWaalsContact O-N 3.1Å; A110-Q114 WeakPolarHBondContact O-CB 3.22Å; A110-Q114 PolarHBondContact O-N 2.98Å
111	V	81.6	Confident	71.1	Confident	47 Å²	47	81.1 Å²	81.1	29%	0.285	45%	0.445	S	S	.	.	H	α-helix	trans	-64	-46.5	174.3	174	0	0	0	0	110.9	A64 K107 M113 Q114 D115	A64-V111 HydrophobicContact CB-CG2 4.36Å; A64-V111 WeakPolarHBondContact O-CG2 3.45Å; K107-V111 HydrophobicContact CG-CG2 4.44Å; K107-V111 WeakPolarHBondContact O-CG2 3.45Å; K107-V111 PolarHBondContact O-N 3.41Å; V111-M113 PolarHBondContact O-N 3.14Å; V111-Q114 WeakPolarHBondContact O-CA 3.34Å; V111-Q114 WeakPolarHBondContact O-CB 3.47Å; V111-Q114 PolarHBondContact O-N 3.13Å; V111-D115 PolarHBondContact O-N 3.14Å
112	R	77.8	Confident	68.4	Low	178 Å²	178	85.1 Å²	85.1	67%	0.672	46%	0.464	S	S	*	.	H	α-helix	trans	-61.4	-40.5	177.7	-72.4	178.9	-173	-157.2	1.3	113.4	A108 K109 Q114 D115 E116	A108-R112 WeakPolarHBondContact O-CG 3.41Å; A108-R112 PolarHBondContact O-N 2.89Å; K109-R112 PolarHBondContact O-N 3.38Å; R112-Q114 PolarHBondContact O-N 2.77Å; R112-D115 PolarHBondContact O-N 3.05Å; R112-E116 WeakPolarHBondContact O-CB 3.28Å; R112-E116 WeakPolarHBondContact O-CG 3.41Å; R112-E116 PolarHBondContact O-N 3.36Å
113	M	71.9	Confident	65.7	Low	119 Å²	119	93.1 Å²	93.1	59%	0.586	50%	0.498	S	S	*	.	H	α-helix	trans	-66.8	-23.8	175.3	-75.7	-178.2	170	0	0	112.8	K109 V111	K109-M113 HydrophobicContact CG-CE 4.34Å; K109-M113 WeakPolarHBondContact O-CG 3.21Å; K109-M113 PolarHBondContact O-N 2.98Å; V111-M113 PolarHBondContact O-N 3.14Å
114	Q	64.9	Low	62.8	Low	83 Å²	83	100.2 Å²	100.2	39%	0.388	54%	0.535	S	S	.	.	H	α-helix	trans	-82.4	-42.3	176.6	-162.9	170.2	-4	0	0	110.9	A64 A110 V111 R112 S117 D118	A64-Q114 VanDerWaalsContact CB-OE1 3.22Å; A110-Q114 WeakPolarHBondContact O-CB 3.22Å; A110-Q114 PolarHBondContact O-N 2.98Å; V111-Q114 WeakPolarHBondContact O-CA 3.34Å; V111-Q114 WeakPolarHBondContact O-CB 3.47Å; V111-Q114 PolarHBondContact O-N 3.13Å; R112-Q114 PolarHBondContact O-N 2.77Å; Q114-S117 PolarHBondContact O-N 2.86Å; Q114-S117 VanDerWaalsContact O-N 3.11Å; Q114-S117 PolarHBondContact O-OG 3.33Å; Q114-D118 PolarHBondContact O-N 2.98Å
115	D	61.4	Low	60.1	Low	98 Å²	98	102 Å²	102	52%	0.524	56%	0.556	S	S	.	*	H	α-helix	trans	-63.9	-40.4	175.3	-67.4	-19.2	0	0	0	112	V111 R112 S117 D118 D119	V111-D115 PolarHBondContact O-N 3.14Å; R112-D115 PolarHBondContact O-N 3.05Å; D115-S117 PolarHBondContact O-N 2.87Å; D115-D118 PolarHBondContact O-N 2.85Å; D115-D119 PolarHBondContact O-N 2.93Å
116	E	55.1	Low	57.5	Low	161 Å²	161	101.4 Å²	101.4	75%	0.752	57%	0.568	S	S	*	*	H	α-helix	trans	-66.2	-17.4	174.7	-75.3	177.2	-179.1	0	0	113.3	R112	R112-E116 WeakPolarHBondContact O-CB 3.28Å; R112-E116 WeakPolarHBondContact O-CG 3.41Å; R112-E116 PolarHBondContact O-N 3.36Å
117	S	53.3	Low	54.8	Low	72 Å²	72	105.4 Å²	105.4	50%	0.503	60%	0.601	S	S	.	*	H	α-helix	trans	-91.2	-21.8	175.3	69.4	0	0	0	0	113.9	Q114 D115	Q114-S117 PolarHBondContact O-N 2.86Å; Q114-S117 VanDerWaalsContact O-N 3.11Å; Q114-S117 PolarHBondContact O-OG 3.33Å; D115-S117 PolarHBondContact O-N 2.87Å
118	D	44.4	Very low	52.1	Low	107 Å²	107	110 Å²	110	57%	0.572	63%	0.632	S	S	*	*	H	α-helix	trans	-92.1	-20.4	179.3	-90.8	-16.8	0	0	0	113.2	Q114 D115 S120 A121	Q114-D118 PolarHBondContact O-N 2.98Å; D115-D118 PolarHBondContact O-N 2.85Å; D118-S120 PolarHBondContact O-N 2.87Å; D118-A121 PolarHBondContact O-N 2.84Å
119	D	38.4	Very low	50.8	Low	154 Å²	154	113.1 Å²	113.1	82%	0.824	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	9	-177.3	-142.4	22	0	0	0	115	D115	D115-D119 PolarHBondContact O-N 2.93Å
120	S	39.8	Very low	48.2	Very low	112 Å²	112	113.4 Å²	113.4	78%	0.783	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	2.7	174.5	66.2	0	0	0	0	114.2	D118	D118-S120 PolarHBondContact O-N 2.87Å
121	A	40.1	Very low	45.7	Very low	77 Å²	77	117.5 Å²	117.5	64%	0.636	69%	0.694	S	S	*	*	S	Bend	trans	-133.5	4.6	-168.3	0	0	0	0	0	117.3	D118	D118-A121 PolarHBondContact O-N 2.84Å
122	D	31.3	Very low	43.7	Very low	154 Å²	154	121.4 Å²	121.4	82%	0.824	72%	0.719	S	S	*	*			trans	-130.9	79.9	-178	-94	-19.5	0	0	0	113.8
123	E	32.9	Very low	41.7	Very low	189 Å²	189	122.4 Å²	122.4	88%	0.883	73%	0.731	S	S	*	*			trans	-99.7	91.8	142.1	-112.7	-166.2	172.8	0	0	107.2
124	L	31.2	Very low	39.8	Very low	149 Å²	149	121.4 Å²	121.4	78%	0.78	74%	0.742	S	S	*	*	S	Bend	trans	159.5	124.3	131.1	-86.7	144.6	0	0	0	112.4
125	S	31.6	Very low	38.6	Very low	119 Å²	119	122.8 Å²	122.8	83%	0.832	77%	0.767	S	S	*	*			trans	87.3	85.4	155.4	70.5	0	0	0	0	118.7
126	A	31.6	Very low	37.5	Very low	104 Å²	104	121.3 Å²	121.3	86%	0.86	78%	0.775	S	S	*	*			trans	-67.6	129.9	149.9	0	0	0	0	0	111.6
127	A	30.6	Very low	37	Very low	102 Å²	102	117.3 Å²	117.3	84%	0.843	77%	0.765	S	S	*	*			trans	-166.6	111.5	139.8	0	0	0	0	0	110.5
128	T	30.6	Very low	37	Very low	135 Å²	135	120.5 Å²	120.5	83%	0.828	77%	0.772	S	S	*	*			trans	-85.7	-177.3	167.2	1.8	0	0	0	0	110.2
129	P	57.1	Low	37.4	Very low	115 Å²	115	119.7 Å²	119.7	75%	0.747	77%	0.772	S	S	*	*			cis	-136.9	157.5	-25.4	31.4	-13.1	0	0	0	113.5
130	A	25.6	Very low	38.4	Very low	91 Å²	91	115.8 Å²	115.8	75%	0.752	76%	0.757	S	S	*	*			trans	-165.2	112.7	148.9	0	0	0	0	0	114.3
131	S	28.8	Very low	39.5	Very low	101 Å²	101	116.3 Å²	116.3	71%	0.706	75%	0.747	S	S	*	*			trans	50.8	115.4	136.6	65.8	0	0	0	0	121.6
132	T	38.5	Very low	40.9	Very low	130 Å²	130	116.1 Å²	116.1	80%	0.798	74%	0.738	S	S	*	*			trans	46.8	100.5	136.3	41.6	0	0	0	0	118.5
133	Q	36.4	Very low	42.8	Very low	199 Å²	199	114.6 Å²	114.6	93%	0.93	73%	0.726	S	S	*	*			trans	177.1	122.5	135.8	-100.4	166.9	47	0	0	108.9
134	A	31.4	Very low	44.9	Very low	98 Å²	98	108.1 Å²	108.1	81%	0.81	70%	0.701	S	S	*	*			trans	-161.4	74.3	159.8	0	0	0	0	0	111.5
135	A	39.8	Very low	47.1	Very low	112 Å²	112	101.9 Å²	101.9	93%	0.926	67%	0.669	S	S	*	*	S	Bend	trans	-105.8	105.7	136.6	0	0	0	0	0	105.3
136	G	39.7	Very low	49.3	Very low	67 Å²	67	101.6 Å²	101.6	69%	0.691	66%	0.658	S	S	*	*			trans	130	67	176.7	0	0	0	0	0	115.1
137	S	42.9	Very low	51.8	Low	77 Å²	77	105 Å²	105	54%	0.538	65%	0.648	S	S	.	*			trans	-107.2	6.5	176.2	60.3	0	0	0	0	114.9
138	H	53.7	Low	54.4	Low	139 Å²	139	103.4 Å²	103.4	64%	0.644	63%	0.629	S	S	*	*	H	α-helix	trans	-89.4	-30.6	179.9	-84	-60.4	0	0	0	116.5	S140	H138-S140 VanDerWaalsContact C-N 3.35Å; H138-S140 PolarHBondContact O-N 2.81Å
139	P	53	Low	56.9	Low	89 Å²	89	98.1 Å²	98.1	58%	0.578	60%	0.595	S	S	*	*	H	α-helix	trans	-68.5	-30.1	179.5	-21.3	33	0	0	0	114	Q143	P139-Q143 WeakPolarHBondContact O-CG 3.48Å; P139-Q143 PolarHBondContact O-N 3.01Å
140	S	59.2	Low	58.3	Low	72 Å²	72	94.1 Å²	94.1	50%	0.503	58%	0.575	S	S	.	*	H	α-helix	trans	-74.7	-35.3	-172.9	66.1	0	0	0	0	113.2	H138 S144	H138-S140 VanDerWaalsContact C-N 3.35Å; H138-S140 PolarHBondContact O-N 2.81Å; S140-S144 PolarHBondContact O-N 3.37Å; S140-S144 PolarHBondContact O-OG 3.14Å
141	E	64.4	Low	61.3	Low	123 Å²	123	92.3 Å²	92.3	58%	0.575	56%	0.557	S	S	*	*	H	α-helix	trans	-72.1	-37.1	177.3	-71.6	-175.1	165.4	0	0	112.5	Q143 S144 T145	E141-Q143 VanDerWaalsContact C-N 3.34Å; E141-S144 WeakPolarHBondContact CA-OG 3.4Å; E141-S144 PolarHBondContact O-N 2.89Å; E141-S144 PolarHBondContact O-OG 2.79Å; E141-T145 VanDerWaalsContact O-CG2 3.22Å; E141-T145 WeakPolarHBondContact O-CG2 3.21Å; E141-T145 PolarHBondContact O-N 2.9Å; E141-T145 VanDerWaalsContact O-N 3.12Å; E141-T145 PolarHBondContact O-OG1 3.19Å
142	V	67.9	Low	64	Low	73 Å²	73	89.9 Å²	89.9	44%	0.442	53%	0.533	S	S	.	.	H	α-helix	trans	-67.9	-38.6	175.7	179.9	0	0	0	0	110.3	T145 L146	V142-T145 PolarHBondContact O-OG1 2.76Å; V142-L146 WeakPolarHBondContact O-CB 3.2Å; V142-L146 PolarHBondContact O-N 3.48Å
143	Q	72.4	Confident	66.5	Low	123 Å²	123	87 Å²	87	58%	0.575	52%	0.515	S	S	*	.	H	α-helix	trans	-71.9	-32.1	176	-74.6	-165.3	-5.4	0	0	114	P139 E141 R147	P139-Q143 WeakPolarHBondContact O-CG 3.48Å; P139-Q143 PolarHBondContact O-N 3.01Å; E141-Q143 VanDerWaalsContact C-N 3.34Å; Q143-R147 WeakPolarHBondContact O-CG 3.42Å; Q143-R147 PolarHBondContact O-N 3.28Å; Q143-R147 PolarHBondContact O-NE 2.77Å
144	S	77.4	Confident	69	Low	52 Å²	52	83.8 Å²	83.8	36%	0.364	50%	0.5	S	S	.	.	H	α-helix	trans	-68.3	-42	174.7	65.6	0	0	0	0	111.3	S140 E141 R147 T148	S140-S144 PolarHBondContact O-N 3.37Å; S140-S144 PolarHBondContact O-OG 3.14Å; E141-S144 WeakPolarHBondContact CA-OG 3.4Å; E141-S144 PolarHBondContact O-N 2.89Å; E141-S144 PolarHBondContact O-OG 2.79Å; S144-R147 WeakPolarHBondContact O-CB 3.25Å; S144-R147 PolarHBondContact O-N 3.26Å; S144-T148 PolarHBondContact O-N 2.92Å; S144-T148 VanDerWaalsContact O-N 3.1Å; S144-T148 PolarHBondContact O-OG1 2.85Å
145	T	76.3	Confident	71.7	Confident	19 Å²	19	82.2 Å²	82.2	12%	0.117	48%	0.478	C	S	.	.	H	α-helix	trans	-69	-37.6	179.1	54.5	0	0	0	0	113	E141 V142 R147 T148 L149 H221	E141-T145 VanDerWaalsContact O-CG2 3.22Å; E141-T145 WeakPolarHBondContact O-CG2 3.21Å; E141-T145 PolarHBondContact O-N 2.9Å; E141-T145 VanDerWaalsContact O-N 3.12Å; E141-T145 PolarHBondContact O-OG1 3.19Å; V142-T145 PolarHBondContact O-OG1 2.76Å; T145-R147 VanDerWaalsContact C-N 3.32Å; T145-R147 PolarHBondContact O-N 2.89Å; T145-T148 PolarHBondContact O-N 3.04Å; T145-L149 PolarHBondContact O-N 2.95Å; T145-H221 WeakPolarHBondContact CG2-CE1 3.45Å; T145-H221 WeakPolarHBondContact CG2-ND1 3.33Å
146	L	78.4	Confident	74	Confident	113 Å²	113	78.1 Å²	78.1	59%	0.592	44%	0.441	S	S	*	.	H	α-helix	trans	-63.1	-37.9	173.3	-169.5	67.1	0	0	0	112	V142 G150	V142-L146 WeakPolarHBondContact O-CB 3.2Å; V142-L146 PolarHBondContact O-N 3.48Å; L146-G150 PolarHBondContact O-N 2.61Å
147	R	84.3	Confident	76.3	Confident	174 Å²	174	78.4 Å²	78.4	66%	0.657	43%	0.429	S	S	*	.	H	α-helix	trans	-63.9	-43.7	173.8	-81.6	-176.9	-78	-157.3	-0.8	112.3	Q143 S144 T145 G150 S151	Q143-R147 WeakPolarHBondContact O-CG 3.42Å; Q143-R147 PolarHBondContact O-N 3.28Å; Q143-R147 PolarHBondContact O-NE 2.77Å; S144-R147 WeakPolarHBondContact O-CB 3.25Å; S144-R147 PolarHBondContact O-N 3.26Å; T145-R147 VanDerWaalsContact C-N 3.32Å; T145-R147 PolarHBondContact O-N 2.89Å; R147-G150 PolarHBondContact O-N 3.29Å; R147-S151 PolarHBondContact O-N 2.64Å
148	T	84.2	Confident	78.4	Confident	70 Å²	70	78.6 Å²	78.6	43%	0.429	43%	0.427	S	S	.	.	H	α-helix	trans	-63.5	-42.9	177.3	-54.3	0	0	0	0	112.2	S144 T145 S151 K152	S144-T148 PolarHBondContact O-N 2.92Å; S144-T148 VanDerWaalsContact O-N 3.1Å; S144-T148 PolarHBondContact O-OG1 2.85Å; T145-T148 PolarHBondContact O-N 3.04Å; T148-S151 PolarHBondContact O-N 2.92Å; T148-K152 WeakPolarHBondContact O-CG 3.16Å; T148-K152 PolarHBondContact O-N 3.38Å
149	L	84	Confident	80.1	Confident	23 Å²	23	72.9 Å²	72.9	12%	0.12	40%	0.402	C	S	.	.	H	α-helix	trans	-64.2	-40.5	174.5	-84.7	155.4	0	0	0	111.7	T145 K152 V153 F214 I217 A218 W225	T145-L149 PolarHBondContact O-N 2.95Å; L149-K152 PolarHBondContact O-N 2.98Å; L149-V153 WeakPolarHBondContact O-CG2 3.2Å; L149-V153 PolarHBondContact O-N 3.49Å; L149-V153 VanDerWaalsContact O-N 3.09Å; L149-F214 HydrophobicContact CD2-CD2 4.02Å; L149-F214 HydrophobicContact CD2-CE2 3.5Å; L149-F214 VanDerWaalsContact CD2-CE2 3.5Å; L149-F214 HydrophobicContact CD2-CZ 4.02Å; L149-I217 HydrophobicContact CD2-CG2 4.09Å; L149-I217 HydrophobicContact CG-CG2 4.08Å; L149-A218 HydrophobicContact CD2-CB 4.07Å; L149-W225 HydrophobicContact CD1-CH2 4.49Å
150	G	86.1	Confident	81.7	Confident	31 Å²	31	72.3 Å²	72.3	32%	0.32	39%	0.394	S	S	.	.	H	α-helix	trans	-57.3	-48.5	175.1	0	0	0	0	0	112.8	L146 R147 K152 V153 E154	L146-G150 PolarHBondContact O-N 2.61Å; R147-G150 PolarHBondContact O-N 3.29Å; G150-K152 VanDerWaalsContact C-N 3.27Å; G150-K152 PolarHBondContact O-N 2.98Å; G150-V153 WeakPolarHBondContact O-CB 3.31Å; G150-V153 PolarHBondContact O-N 3.28Å; G150-V153 VanDerWaalsContact O-N 3.08Å; G150-E154 PolarHBondContact O-N 2.88Å; G150-E154 VanDerWaalsContact O-N 3.12Å
151	S	87.6	Confident	83.1	Confident	54 Å²	54	73.5 Å²	73.5	38%	0.378	40%	0.395	S	S	.	.	H	α-helix	trans	-57.5	-38.4	175.2	158.6	0	0	0	0	112.7	R147 T148 V153 E154 D155	R147-S151 PolarHBondContact O-N 2.64Å; T148-S151 PolarHBondContact O-N 2.92Å; S151-V153 VanDerWaalsContact C-N 3.33Å; S151-V153 PolarHBondContact O-N 3.37Å; S151-E154 WeakPolarHBondContact O-CB 3.3Å; S151-E154 PolarHBondContact O-N 2.83Å; S151-D155 PolarHBondContact O-N 3.49Å; S151-D155 VanDerWaalsContact O-N 3.09Å
152	K	87.4	Confident	84.2	Confident	50 Å²	50	70.9 Å²	70.9	22%	0.217	39%	0.385	C	S	.	.	H	α-helix	trans	-72.1	-27.1	178.6	-67.5	-72.7	151.3	-148.8	0	113.2	T148 L149 G150 D155 L156 F214 I217	T148-K152 WeakPolarHBondContact O-CG 3.16Å; T148-K152 PolarHBondContact O-N 3.38Å; L149-K152 PolarHBondContact O-N 2.98Å; G150-K152 VanDerWaalsContact C-N 3.27Å; G150-K152 PolarHBondContact O-N 2.98Å; K152-D155 IonicContact NZ-OD2 2.79Å; K152-D155 PolarHBondContact NZ-OD2 2.76Å; K152-L156 WeakPolarHBondContact O-CG 3.39Å; K152-L156 PolarHBondContact O-N 2.76Å; K152-L156 VanDerWaalsContact O-N 3.15Å; K152-F214 HydrophobicContact CB-CB 4.39Å; K152-F214 HydrophobicContact CB-CD2 3.82Å; K152-I217 HydrophobicContact CD-CD1 4.16Å; K152-I217 HydrophobicContact CG-CD1 3.9Å
153	V	89.8	Confident	85.2	Confident	68 Å²	68	69.2 Å²	69.2	41%	0.412	37%	0.373	S	S	.	.	H	α-helix	trans	-70.7	-36.2	171.5	173.9	0	0	0	0	111	L149 G150 S151 L156 T157 F214	L149-V153 WeakPolarHBondContact O-CG2 3.2Å; L149-V153 PolarHBondContact O-N 3.49Å; L149-V153 VanDerWaalsContact O-N 3.09Å; G150-V153 WeakPolarHBondContact O-CB 3.31Å; G150-V153 PolarHBondContact O-N 3.28Å; G150-V153 VanDerWaalsContact O-N 3.08Å; S151-V153 VanDerWaalsContact C-N 3.33Å; S151-V153 PolarHBondContact O-N 3.37Å; V153-L156 PolarHBondContact O-N 2.86Å; V153-T157 PolarHBondContact O-N 3.47Å; V153-T157 PolarHBondContact O-OG1 2.98Å; V153-F214 HydrophobicContact CG2-CD2 4.2Å; V153-F214 HydrophobicContact CG2-CE2 3.57Å; V153-F214 HydrophobicContact CG2-CZ 4.24Å
154	E	89.1	Confident	86	Confident	133 Å²	133	67.3 Å²	67.3	62%	0.621	37%	0.37	S	S	*	.	H	α-helix	trans	-65	-42.1	173.6	-67.2	172	-175.4	0	0	111.7	G150 S151 L156 T157 T158	G150-E154 PolarHBondContact O-N 2.88Å; G150-E154 VanDerWaalsContact O-N 3.12Å; S151-E154 WeakPolarHBondContact O-CB 3.3Å; S151-E154 PolarHBondContact O-N 2.83Å; E154-L156 VanDerWaalsContact C-N 3.33Å; E154-L156 PolarHBondContact O-N 2.88Å; E154-T157 PolarHBondContact O-N 2.81Å; E154-T158 PolarHBondContact O-N 3.02Å; E154-T158 PolarHBondContact O-OG1 3.13Å
155	D	87.6	Confident	86.6	Confident	64 Å²	64	71.9 Å²	71.9	34%	0.342	38%	0.383	S	S	.	.	H	α-helix	trans	-57.6	-45	173.4	-69.9	-19.7	0	0	0	111.3	S151 K152 T158 C159	S151-D155 PolarHBondContact O-N 3.49Å; S151-D155 VanDerWaalsContact O-N 3.09Å; K152-D155 IonicContact NZ-OD2 2.79Å; K152-D155 PolarHBondContact NZ-OD2 2.76Å; D155-T158 PolarHBondContact O-N 3.4Å; D155-C159 PolarHBondContact O-N 3.11Å; D155-C159 PolarHBondContact O-SG 2.99Å
156	L	89	Confident	87.3	Confident	27 Å²	27	73 Å²	73	14%	0.141	39%	0.387	C	S	.	.	H	α-helix	trans	-63.6	-41.9	177.1	-78.2	171.3	0	0	0	112.4	K152 V153 E154 T158 C159 N160 M207 A210 C211 F214	K152-L156 WeakPolarHBondContact O-CG 3.39Å; K152-L156 PolarHBondContact O-N 2.76Å; K152-L156 VanDerWaalsContact O-N 3.15Å; V153-L156 PolarHBondContact O-N 2.86Å; E154-L156 VanDerWaalsContact C-N 3.33Å; E154-L156 PolarHBondContact O-N 2.88Å; L156-T158 VanDerWaalsContact C-N 3.33Å; L156-C159 PolarHBondContact O-N 2.89Å; L156-N160 WeakPolarHBondContact O-CB 3.49Å; L156-N160 PolarHBondContact O-N 2.63Å; L156-M207 HydrophobicContact CD2-CE 3.84Å; L156-M207 HydrophobicContact CD2-SD 3.77Å; L156-A210 HydrophobicContact CD2-CB 3.75Å; L156-A210 HydrophobicContact CG-CB 4.3Å; L156-C211 HydrophobicContact CD2-CB 4.28Å; L156-C211 WeakPolarHBondContact CD2-SG 3.34Å; L156-F214 HydrophobicContact CD1-CB 3.89Å; L156-F214 HydrophobicContact CD1-CD1 4.32Å; L156-F214 HydrophobicContact CD1-CD2 4.23Å; L156-F214 HydrophobicContact CD1-CG 3.88Å
157	T	87.7	Confident	87.8	Confident	72 Å²	72	68.4 Å²	68.4	44%	0.442	37%	0.367	S	S	.	.	H	α-helix	trans	-62.5	-45.1	177.9	-55	0	0	0	0	110.2	V153 E154 C159 N160 D161	V153-T157 PolarHBondContact O-N 3.47Å; V153-T157 PolarHBondContact O-OG1 2.98Å; E154-T157 PolarHBondContact O-N 2.81Å; T157-C159 PolarHBondContact O-N 3.23Å; T157-N160 WeakPolarHBondContact O-CB 3.25Å; T157-N160 PolarHBondContact O-N 3.49Å; T157-D161 PolarHBondContact O-N 3.02Å
158	T	88.1	Confident	88	Confident	81 Å²	81	62.7 Å²	62.7	50%	0.497	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-43.9	176.7	-54.5	0	0	0	0	111.8	E154 D155 L156 N160 D161 L162	E154-T158 PolarHBondContact O-N 3.02Å; E154-T158 PolarHBondContact O-OG1 3.13Å; D155-T158 PolarHBondContact O-N 3.4Å; L156-T158 VanDerWaalsContact C-N 3.33Å; T158-N160 VanDerWaalsContact C-N 3.35Å; T158-N160 PolarHBondContact O-N 2.96Å; T158-D161 PolarHBondContact O-N 3.33Å; T158-L162 HydrophobicContact CG2-CD1 4.45Å; T158-L162 WeakPolarHBondContact O-CG 3.3Å; T158-L162 PolarHBondContact O-N 3.2Å; T158-L162 VanDerWaalsContact O-N 3.13Å
159	C	87.4	Confident	88.2	Confident	19 Å²	19	60.1 Å²	60.1	13%	0.128	34%	0.339	C	S	.	.	H	α-helix	trans	-64.5	-39	176.8	-69.8	0	0	0	0	112.2	D155 L156 T157 L162 I163 M207	D155-C159 PolarHBondContact O-N 3.11Å; D155-C159 PolarHBondContact O-SG 2.99Å; L156-C159 PolarHBondContact O-N 2.89Å; T157-C159 PolarHBondContact O-N 3.23Å; C159-L162 PolarHBondContact O-N 2.86Å; C159-I163 WeakPolarHBondContact O-CG1 3.49Å; C159-I163 PolarHBondContact O-N 2.79Å; C159-M207 HydrophobicContact CB-CB 3.98Å; C159-M207 HydrophobicContact CB-CG 4.4Å; C159-M207 HydrophobicContact CB-SD 3.53Å; C159-M207 VanDerWaalsContact CB-SD 3.53Å
160	N	87.7	Confident	88.5	Confident	77 Å²	77	60.1 Å²	60.1	41%	0.412	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-46.2	176.5	-178.7	69.5	0	0	0	111.7	L156 T157 T158 L162 I163 V164 M207	L156-N160 WeakPolarHBondContact O-CB 3.49Å; L156-N160 PolarHBondContact O-N 2.63Å; T157-N160 WeakPolarHBondContact O-CB 3.25Å; T157-N160 PolarHBondContact O-N 3.49Å; T158-N160 VanDerWaalsContact C-N 3.35Å; T158-N160 PolarHBondContact O-N 2.96Å; N160-L162 VanDerWaalsContact C-N 3.3Å; N160-L162 PolarHBondContact O-N 3.37Å; N160-I163 PolarHBondContact O-N 3.03Å; N160-V164 WeakPolarHBondContact O-CG2 3.46Å; N160-V164 PolarHBondContact O-N 2.75Å; N160-M207 HydrophobicContact CB-CE 4.46Å
161	D	88	Confident	88.6	Confident	97 Å²	97	65 Å²	65	52%	0.519	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-39.9	178.1	-69.6	-14.3	0	0	0	112	T157 T158 V164 K165	T157-D161 PolarHBondContact O-N 3.02Å; T158-D161 PolarHBondContact O-N 3.33Å; D161-V164 PolarHBondContact O-N 3.35Å; D161-K165 WeakPolarHBondContact O-CB 3.21Å; D161-K165 PolarHBondContact O-N 3.14Å
162	L	87.9	Confident	88.6	Confident	69 Å²	69	69.6 Å²	69.6	36%	0.361	36%	0.363	S	S	.	.	H	α-helix	trans	-65.2	-42.1	175	-72	173.7	0	0	0	112.1	T158 C159 N160 K165 H166 T203	T158-L162 HydrophobicContact CG2-CD1 4.45Å; T158-L162 WeakPolarHBondContact O-CG 3.3Å; T158-L162 PolarHBondContact O-N 3.2Å; T158-L162 VanDerWaalsContact O-N 3.13Å; C159-L162 PolarHBondContact O-N 2.86Å; N160-L162 VanDerWaalsContact C-N 3.3Å; N160-L162 PolarHBondContact O-N 3.37Å; L162-K165 PolarHBondContact O-N 3.19Å; L162-H166 WeakPolarHBondContact O-CB 3.35Å; L162-H166 PolarHBondContact O-CD2 3.43Å; L162-H166 PolarHBondContact O-N 3.3Å; L162-T203 HydrophobicContact CB-CG2 4.18Å
163	I	89	Confident	88.5	Confident	37 Å²	37	67.3 Å²	67.3	19%	0.19	35%	0.354	C	S	.	.	H	α-helix	trans	-61	-45.5	175.3	-76.3	176	0	0	0	110.9	C159 N160 K165 G167 F200 M207	C159-I163 WeakPolarHBondContact O-CG1 3.49Å; C159-I163 PolarHBondContact O-N 2.79Å; N160-I163 PolarHBondContact O-N 3.03Å; I163-K165 PolarHBondContact O-N 2.78Å; I163-G167 WeakPolarHBondContact O-CA 3.34Å; I163-G167 PolarHBondContact O-N 3.04Å; I163-F200 HydrophobicContact CG2-CE2 3.93Å; I163-M207 HydrophobicContact CD1-CB 3.32Å; I163-M207 HydrophobicContact CD1-CG 3.65Å; I163-M207 HydrophobicContact CG1-CB 4.47Å
164	V	88.7	Confident	88.3	Confident	83 Å²	83	67.5 Å²	67.5	50%	0.503	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-49	177.5	172.6	0	0	0	0	109.9	N160 D161 G167 S168	N160-V164 WeakPolarHBondContact O-CG2 3.46Å; N160-V164 PolarHBondContact O-N 2.75Å; D161-V164 PolarHBondContact O-N 3.35Å; V164-G167 PolarHBondContact O-N 2.63Å; V164-S168 WeakPolarHBondContact O-CB 3.28Å; V164-S168 PolarHBondContact O-N 3.21Å; V164-S168 PolarHBondContact O-OG 2.94Å; V164-S168 VanDerWaalsContact O-OG 3.08Å
165	K	89.6	Confident	88.1	Confident	148 Å²	148	64.3 Å²	64.3	64%	0.643	34%	0.344	S	S	*	.	H	α-helix	trans	-62.1	-47.8	-178.9	-172.8	177.7	-178.6	178.9	0	112.8	D161 L162 I163 A169	D161-K165 WeakPolarHBondContact O-CB 3.21Å; D161-K165 PolarHBondContact O-N 3.14Å; L162-K165 PolarHBondContact O-N 3.19Å; I163-K165 PolarHBondContact O-N 2.78Å; K165-A169 WeakPolarHBondContact O-CB 3.46Å; K165-A169 PolarHBondContact O-N 2.89Å; K165-A169 VanDerWaalsContact O-N 3.09Å
166	H	91.1	Very high	87.8	Confident	42 Å²	42	65.1 Å²	65.1	19%	0.194	35%	0.346	C	S	.	.	H	α-helix	trans	-72.4	-34.5	179.4	-67.6	-55.7	0	0	0	112.2	L162 A169 L170 F200 T203	L162-H166 WeakPolarHBondContact O-CB 3.35Å; L162-H166 PolarHBondContact O-CD2 3.43Å; L162-H166 PolarHBondContact O-N 3.3Å; H166-A169 PolarHBondContact O-N 2.96Å; H166-L170 WeakPolarHBondContact O-CB 3.4Å; H166-L170 PolarHBondContact O-N 3.12Å; H166-F200 HydrophobicContact CB-CB 4.31Å; H166-F200 HydrophobicContact CB-CD2 4.21Å; H166-T203 WeakPolarHBondContact CD2-CG2 3.45Å
167	G	89.1	Confident	87.2	Confident	17 Å²	17	66 Å²	66	18%	0.175	35%	0.35	C	S	.	.	H	α-helix	trans	-61.5	-49.5	174.4	0	0	0	0	0	111.4	I163 V164 A169 L170 Q171	I163-G167 WeakPolarHBondContact O-CA 3.34Å; I163-G167 PolarHBondContact O-N 3.04Å; V164-G167 PolarHBondContact O-N 2.63Å; G167-A169 VanDerWaalsContact C-N 3.31Å; G167-A169 PolarHBondContact O-N 3.45Å; G167-L170 PolarHBondContact O-N 2.97Å; G167-Q171 WeakPolarHBondContact O-CB 3.18Å; G167-Q171 PolarHBondContact O-N 2.94Å
168	S	89.1	Confident	86.5	Confident	54 Å²	54	70.6 Å²	70.6	38%	0.378	37%	0.367	S	S	.	.	H	α-helix	trans	-64.7	-32.8	175.3	-57.8	0	0	0	0	113	V164 R172	V164-S168 WeakPolarHBondContact O-CB 3.28Å; V164-S168 PolarHBondContact O-N 3.21Å; V164-S168 PolarHBondContact O-OG 2.94Å; V164-S168 VanDerWaalsContact O-OG 3.08Å; S168-R172 WeakPolarHBondContact O-CG 3.49Å; S168-R172 PolarHBondContact O-N 2.82Å; S168-R172 VanDerWaalsContact O-N 3.12Å; S168-R172 PolarHBondContact O-NE 3.46Å
169	A	87.4	Confident	85.7	Confident	16 Å²	16	70 Å²	70	13%	0.132	38%	0.377	C	S	.	.	H	α-helix	trans	-70	-39.7	175.4	0	0	0	0	0	112.4	K165 H166 G167 S173 R196	K165-A169 WeakPolarHBondContact O-CB 3.46Å; K165-A169 PolarHBondContact O-N 2.89Å; K165-A169 VanDerWaalsContact O-N 3.09Å; H166-A169 PolarHBondContact O-N 2.96Å; G167-A169 VanDerWaalsContact C-N 3.31Å; G167-A169 PolarHBondContact O-N 3.45Å; A169-S173 PolarHBondContact O-N 2.89Å; A169-R196 VanDerWaalsContact O-CD 3.23Å; A169-R196 WeakPolarHBondContact O-CD 3.2Å; A169-R196 PolarHBondContact O-NH1 3.18Å
170	L	90.8	Very high	84.7	Confident	24 Å²	24	73.2 Å²	73.2	13%	0.126	39%	0.393	C	S	.	.	H	α-helix	trans	-66.5	-46.7	174.7	176.7	58.4	0	0	0	111.1	H166 G167 R172 S173 L174 V193 R196 A197 F200	H166-L170 WeakPolarHBondContact O-CB 3.4Å; H166-L170 PolarHBondContact O-N 3.12Å; G167-L170 PolarHBondContact O-N 2.97Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R172 PolarHBondContact O-N 3.49Å; L170-S173 WeakPolarHBondContact O-CB 3.45Å; L170-S173 PolarHBondContact O-N 2.95Å; L170-S173 VanDerWaalsContact O-N 3.09Å; L170-L174 HydrophobicContact CD1-CD1 4.18Å; L170-L174 HydrophobicContact CD1-CG 4.27Å; L170-L174 HydrophobicContact CG-CD1 4.03Å; L170-L174 WeakPolarHBondContact O-CG 3.29Å; L170-L174 PolarHBondContact O-N 2.81Å; L170-V193 HydrophobicContact CD1-CG1 4.3Å; L170-R196 HydrophobicContact CB-CB 4.34Å; L170-R196 HydrophobicContact CD1-CB 4.14Å; L170-A197 HydrophobicContact CD1-CB 3.91Å; L170-A197 HydrophobicContact CD2-CB 4.33Å; L170-F200 HydrophobicContact CD2-CB 4.01Å; L170-F200 HydrophobicContact CD2-CD1 4.04Å; L170-F200 HydrophobicContact CD2-CG 4.09Å
171	Q	88	Confident	83.6	Confident	132 Å²	132	78.3 Å²	78.3	62%	0.617	41%	0.414	S	S	*	.	H	α-helix	trans	-57.8	-45.5	177.9	-172.9	177	-1.7	0	0	111.5	G167 S173 L174 S175	G167-Q171 WeakPolarHBondContact O-CB 3.18Å; G167-Q171 PolarHBondContact O-N 2.94Å; Q171-S173 VanDerWaalsContact C-N 3.34Å; Q171-S173 PolarHBondContact O-N 3.42Å; Q171-L174 PolarHBondContact O-N 2.83Å; Q171-S175 PolarHBondContact O-N 3.29Å; Q171-S175 PolarHBondContact O-OG 2.85Å
172	R	87.8	Confident	82.1	Confident	151 Å²	151	81 Å²	81	57%	0.57	43%	0.434	S	S	*	.	H	α-helix	trans	-58.6	-43.7	173.9	-76.3	-177.8	-69	150.6	-5.8	112.6	S168 L170 L174 S175 E176	S168-R172 WeakPolarHBondContact O-CG 3.49Å; S168-R172 PolarHBondContact O-N 2.82Å; S168-R172 VanDerWaalsContact O-N 3.12Å; S168-R172 PolarHBondContact O-NE 3.46Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R172 PolarHBondContact O-N 3.49Å; R172-L174 VanDerWaalsContact C-N 3.32Å; R172-L174 PolarHBondContact O-N 3.5Å; R172-S175 PolarHBondContact O-N 2.91Å; R172-E176 WeakPolarHBondContact O-CB 3.48Å; R172-E176 WeakPolarHBondContact O-CG 3.35Å; R172-E176 PolarHBondContact O-N 3.24Å
173	S	86.8	Confident	80.8	Confident	3 Å²	3	80.4 Å²	80.4	2%	0.021	44%	0.444	C	S	.	.	H	α-helix	trans	-63.8	-35.5	176.8	-100.7	0	0	0	0	113.4	A169 L170 Q171 L177 R196	A169-S173 PolarHBondContact O-N 2.89Å; L170-S173 WeakPolarHBondContact O-CB 3.45Å; L170-S173 PolarHBondContact O-N 2.95Å; L170-S173 VanDerWaalsContact O-N 3.09Å; Q171-S173 VanDerWaalsContact C-N 3.34Å; Q171-S173 PolarHBondContact O-N 3.42Å; S173-L177 PolarHBondContact O-N 3.17Å; S173-R196 VanDerWaalsContact OG-CD 3.26Å; S173-R196 WeakPolarHBondContact OG-CD 3.49Å; S173-R196 PolarHBondContact OG-NE 2.84Å; S173-R196 PolarHBondContact OG-NH1 3.34Å
174	L	84.8	Confident	79.4	Confident	72 Å²	72	86.1 Å²	86.1	38%	0.377	48%	0.481	S	S	.	.	H	α-helix	trans	-71	-43.7	175.9	-72.1	167.1	0	0	0	111.3	L170 Q171 R172 E176 L177 E178 V193	L170-L174 HydrophobicContact CD1-CD1 4.18Å; L170-L174 HydrophobicContact CD1-CG 4.27Å; L170-L174 HydrophobicContact CG-CD1 4.03Å; L170-L174 WeakPolarHBondContact O-CG 3.29Å; L170-L174 PolarHBondContact O-N 2.81Å; Q171-L174 PolarHBondContact O-N 2.83Å; R172-L174 VanDerWaalsContact C-N 3.32Å; R172-L174 PolarHBondContact O-N 3.5Å; L174-E176 VanDerWaalsContact C-N 3.33Å; L174-E176 PolarHBondContact O-N 3.08Å; L174-L177 WeakPolarHBondContact O-CA 3.04Å; L174-L177 WeakPolarHBondContact O-CB 3.23Å; L174-L177 PolarHBondContact O-N 3.07Å; L174-E178 PolarHBondContact O-N 3.36Å; L174-V193 HydrophobicContact CD2-CG1 3.68Å; L174-V193 HydrophobicContact CG-CG1 4.35Å
175	S	84.2	Confident	78.2	Confident	65 Å²	65	86.3 Å²	86.3	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-63.9	-36.4	176	-59.1	0	0	0	0	112.8	Q171 R172 L177 E178 G179	Q171-S175 PolarHBondContact O-N 3.29Å; Q171-S175 PolarHBondContact O-OG 2.85Å; R172-S175 PolarHBondContact O-N 2.91Å; S175-L177 VanDerWaalsContact C-N 3.27Å; S175-L177 PolarHBondContact O-N 3.44Å; S175-E178 PolarHBondContact O-N 2.8Å; S175-G179 PolarHBondContact O-N 2.89Å
176	E	81.2	Confident	77.4	Confident	82 Å²	82	84 Å²	84	38%	0.383	47%	0.472	S	S	.	.	H	α-helix	trans	-64.3	-31.5	171.4	-75.7	174.9	-145.6	0	0	112.4	R172 L174 K189	R172-E176 WeakPolarHBondContact O-CB 3.48Å; R172-E176 WeakPolarHBondContact O-CG 3.35Å; R172-E176 PolarHBondContact O-N 3.24Å; L174-E176 VanDerWaalsContact C-N 3.33Å; L174-E176 PolarHBondContact O-N 3.08Å; E176-K189 IonicContact OE2-NZ 3.51Å; E176-K189 PolarHBondContact OE2-NZ 3.42Å
177	L	77.9	Confident	76.6	Confident	45 Å²	45	84.9 Å²	84.9	24%	0.236	49%	0.492	C	S	.	.	H	α-helix	trans	-74.7	-36.3	177.3	-169	72.7	0	0	0	111.9	S173 L174 S175 G179 L180 M186 K189 I190 V193	S173-L177 PolarHBondContact O-N 3.17Å; L174-L177 WeakPolarHBondContact O-CA 3.04Å; L174-L177 WeakPolarHBondContact O-CB 3.23Å; L174-L177 PolarHBondContact O-N 3.07Å; S175-L177 VanDerWaalsContact C-N 3.27Å; S175-L177 PolarHBondContact O-N 3.44Å; L177-G179 VanDerWaalsContact C-N 3.31Å; L177-G179 PolarHBondContact O-N 3.47Å; L177-L180 HydrophobicContact CD1-CD1 4.48Å; L177-M186 HydrophobicContact CD1-CE 4.47Å; L177-K189 HydrophobicContact CD1-CB 4.06Å; L177-I190 HydrophobicContact CD1-CG1 4.2Å; L177-V193 HydrophobicContact CD2-CG2 4.33Å
178	E	72.9	Confident	76.1	Confident	168 Å²	168	88.9 Å²	88.9	79%	0.785	51%	0.506	S	S	*	.	H	α-helix	trans	-69.9	-24.1	178.2	-73.2	175.8	167.9	0	0	113.4	L174 S175	L174-E178 PolarHBondContact O-N 3.36Å; S175-E178 PolarHBondContact O-N 2.8Å
179	G	70.4	Confident	75.5	Confident	70 Å²	70	88.7 Å²	88.7	72%	0.722	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	3.6	-178.1	0	0	0	0	0	116.3	S175 L177	S175-G179 PolarHBondContact O-N 2.89Å; L177-G179 VanDerWaalsContact C-N 3.31Å; L177-G179 PolarHBondContact O-N 3.47Å
180	L	66.6	Low	75.3	Confident	85 Å²	85	91.8 Å²	91.8	45%	0.445	51%	0.512	S	S	.	.			trans	-92.9	133.2	-170.5	-77.9	163.7	0	0	0	113.8	L177 K189	L177-L180 HydrophobicContact CD1-CD1 4.48Å; L180-K189 HydrophobicContact CD1-CG 4.33Å
181	Q	63.8	Low	74.9	Confident	185 Å²	185	97.3 Å²	97.3	86%	0.864	53%	0.531	S	S	*	.			trans	-87.3	144.5	160.2	-73	-172.7	-4.1	0	0	110.3	G183	Q181-G183 PolarHBondContact O-N 2.65Å
182	V	58.1	Low	74.7	Confident	153 Å²	153	93.2 Å²	93.2	93%	0.927	51%	0.512	S	S	*	.	S	Bend	trans	-59.4	113.8	-169.3	180	0	0	0	0	112.1
183	G	59.1	Low	74.7	Confident	57 Å²	57	87 Å²	87	59%	0.588	49%	0.491	S	S	*	.	S	Bend	trans	161	108.8	167.2	0	0	0	0	0	116	Q181 D185	Q181-G183 PolarHBondContact O-N 2.65Å; G183-D185 PolarHBondContact O-N 3.45Å
184	T	59.1	Low	74.6	Confident	156 Å²	156	90.7 Å²	90.7	96%	0.957	51%	0.513	S	S	*	.	S	Bend	trans	69.7	12.5	157.2	15.4	0	0	0	0	122.6
185	D	64.8	Low	74.7	Confident	88 Å²	88	92.1 Å²	92.1	47%	0.471	52%	0.518	S	S	.	.			trans	-140.7	13.4	169.8	-150.9	13.9	0	0	0	114.8	G183 G187 K189	G183-D185 PolarHBondContact O-N 3.45Å; D185-G187 PolarHBondContact O-N 3.46Å; D185-K189 PolarHBondContact O-N 3.15Å
186	M	71.5	Confident	74.9	Confident	100 Å²	100	92.4 Å²	92.4	49%	0.493	51%	0.509	S	S	.	.	H	α-helix	trans	-72.2	-31.9	-171.6	-162.9	154.2	-170.4	0	0	113.3	L177 I190	L177-M186 HydrophobicContact CD1-CE 4.47Å; M186-I190 HydrophobicContact CG-CD1 3.92Å; M186-I190 HydrophobicContact CG-CG1 4.41Å; M186-I190 WeakPolarHBondContact O-CB 3.25Å; M186-I190 WeakPolarHBondContact O-CD1 3.4Å; M186-I190 WeakPolarHBondContact O-CG1 3.19Å; M186-I190 PolarHBondContact O-N 3.11Å
187	G	74.8	Confident	75.1	Confident	59 Å²	59	90.3 Å²	90.3	61%	0.608	51%	0.506	S	S	*	.	H	α-helix	trans	-65.9	-40.3	-180	0	0	0	0	0	113.3	D185 R191	D185-G187 PolarHBondContact O-N 3.46Å; G187-R191 PolarHBondContact O-N 2.84Å; G187-R191 VanDerWaalsContact O-N 3.14Å
188	E	77.9	Confident	75.4	Confident	101 Å²	101	91 Å²	91	47%	0.472	51%	0.512	S	S	.	.	H	α-helix	trans	-72.9	-38	179.7	-174.1	158.1	-169.7	0	0	111.9	R191 Q192	E188-R191 WeakPolarHBondContact O-CB 3.43Å; E188-R191 PolarHBondContact O-N 3.35Å; E188-Q192 WeakPolarHBondContact O-CG 3.44Å; E188-Q192 PolarHBondContact O-N 2.9Å
189	K	78.5	Confident	75.9	Confident	50 Å²	50	86.4 Å²	86.4	22%	0.217	49%	0.493	C	S	.	.	H	α-helix	trans	-66.7	-39.9	174.9	-69.4	-67.1	-173.3	177.1	0	113	E176 L177 L180 D185 R191 Q192 V193	E176-K189 IonicContact OE2-NZ 3.51Å; E176-K189 PolarHBondContact OE2-NZ 3.42Å; L177-K189 HydrophobicContact CD1-CB 4.06Å; L180-K189 HydrophobicContact CD1-CG 4.33Å; D185-K189 PolarHBondContact O-N 3.15Å; K189-R191 VanDerWaalsContact C-N 3.3Å; K189-R191 PolarHBondContact O-N 3.13Å; K189-Q192 PolarHBondContact O-N 2.85Å; K189-V193 WeakPolarHBondContact O-CG2 3.35Å; K189-V193 PolarHBondContact O-N 3.22Å
190	I	81.8	Confident	76.7	Confident	82 Å²	82	86.1 Å²	86.1	42%	0.421	47%	0.472	S	S	.	.	H	α-helix	trans	-61.4	-40.6	172.3	-71.2	168.1	0	0	0	111	L177 M186 V193 T194	L177-I190 HydrophobicContact CD1-CG1 4.2Å; M186-I190 HydrophobicContact CG-CD1 3.92Å; M186-I190 HydrophobicContact CG-CG1 4.41Å; M186-I190 WeakPolarHBondContact O-CB 3.25Å; M186-I190 WeakPolarHBondContact O-CD1 3.4Å; M186-I190 WeakPolarHBondContact O-CG1 3.19Å; M186-I190 PolarHBondContact O-N 3.11Å; I190-V193 PolarHBondContact O-N 3.39Å; I190-T194 WeakPolarHBondContact O-CB 3.35Å; I190-T194 PolarHBondContact O-N 3.33Å; I190-T194 PolarHBondContact O-OG1 3.43Å
191	R	82.4	Confident	77.6	Confident	140 Å²	140	89.5 Å²	89.5	53%	0.528	48%	0.478	S	S	.	.	H	α-helix	trans	-61.4	-44.6	175.3	-167.6	-176.6	71.1	78.7	-1.8	111.4	G187 E188 K189 T194 E195	G187-R191 PolarHBondContact O-N 2.84Å; G187-R191 VanDerWaalsContact O-N 3.14Å; E188-R191 WeakPolarHBondContact O-CB 3.43Å; E188-R191 PolarHBondContact O-N 3.35Å; K189-R191 VanDerWaalsContact C-N 3.3Å; K189-R191 PolarHBondContact O-N 3.13Å; R191-T194 PolarHBondContact O-N 2.97Å; R191-E195 IonicContact NH1-OE2 3.43Å; R191-E195 PolarHBondContact O-N 3.31Å
192	Q	84.4	Confident	78.6	Confident	46 Å²	46	85 Å²	85	22%	0.215	46%	0.46	C	S	.	.	H	α-helix	trans	-62.8	-42.1	176.8	-71.7	178	15.6	0	0	112.7	E188 K189 T194 E195 R196	E188-Q192 WeakPolarHBondContact O-CG 3.44Å; E188-Q192 PolarHBondContact O-N 2.9Å; K189-Q192 PolarHBondContact O-N 2.85Å; Q192-T194 VanDerWaalsContact C-N 3.33Å; Q192-T194 PolarHBondContact O-N 3.39Å; Q192-E195 PolarHBondContact O-N 3.1Å; Q192-R196 WeakPolarHBondContact O-CG 3.35Å; Q192-R196 PolarHBondContact O-N 3.05Å
193	V	87.8	Confident	80	Confident	20 Å²	20	78.4 Å²	78.4	12%	0.121	42%	0.42	C	S	.	.	H	α-helix	trans	-61.5	-44	174.7	171.7	0	0	0	0	110.5	L170 L174 L177 K189 I190 E195 R196 A197	L170-V193 HydrophobicContact CD1-CG1 4.3Å; L174-V193 HydrophobicContact CD2-CG1 3.68Å; L174-V193 HydrophobicContact CG-CG1 4.35Å; L177-V193 HydrophobicContact CD2-CG2 4.33Å; K189-V193 WeakPolarHBondContact O-CG2 3.35Å; K189-V193 PolarHBondContact O-N 3.22Å; I190-V193 PolarHBondContact O-N 3.39Å; V193-E195 PolarHBondContact O-N 3.07Å; V193-R196 PolarHBondContact O-N 3.38Å; V193-A197 WeakPolarHBondContact O-CB 3.43Å; V193-A197 PolarHBondContact O-N 3.03Å
194	T	84.3	Confident	81.3	Confident	80 Å²	80	77.1 Å²	77.1	49%	0.491	40%	0.402	S	S	.	.	H	α-helix	trans	-65.2	-39.7	-179.5	-57.8	0	0	0	0	111.8	I190 R191 Q192 T198	I190-T194 WeakPolarHBondContact O-CB 3.35Å; I190-T194 PolarHBondContact O-N 3.33Å; I190-T194 PolarHBondContact O-OG1 3.43Å; R191-T194 PolarHBondContact O-N 2.97Å; Q192-T194 VanDerWaalsContact C-N 3.33Å; Q192-T194 PolarHBondContact O-N 3.39Å; T194-T198 WeakPolarHBondContact O-CB 3.46Å; T194-T198 PolarHBondContact O-N 2.84Å; T194-T198 PolarHBondContact O-OG1 3.18Å
195	E	87.9	Confident	82.6	Confident	103 Å²	103	73.3 Å²	73.3	48%	0.481	38%	0.375	S	S	.	.	H	α-helix	trans	-64.5	-47.7	175.3	-170.2	177.8	164.8	0	0	111.5	R191 Q192 V193 A197 T198 L199	R191-E195 IonicContact NH1-OE2 3.43Å; R191-E195 PolarHBondContact O-N 3.31Å; Q192-E195 PolarHBondContact O-N 3.1Å; V193-E195 PolarHBondContact O-N 3.07Å; E195-A197 PolarHBondContact O-N 2.98Å; E195-T198 WeakPolarHBondContact O-CB 3.38Å; E195-T198 PolarHBondContact O-N 3.49Å; E195-L199 PolarHBondContact O-N 2.85Å
196	R	87.6	Confident	83.6	Confident	70 Å²	70	71.2 Å²	71.2	26%	0.264	37%	0.37	S	S	.	.	H	α-helix	trans	-68.1	-33.9	178.1	-66.8	-173.8	-168.3	170.6	7.2	112.6	A169 L170 S173 Q192 V193 T198 L199 F200	A169-R196 VanDerWaalsContact O-CD 3.23Å; A169-R196 WeakPolarHBondContact O-CD 3.2Å; A169-R196 PolarHBondContact O-NH1 3.18Å; L170-R196 HydrophobicContact CB-CB 4.34Å; L170-R196 HydrophobicContact CD1-CB 4.14Å; S173-R196 VanDerWaalsContact OG-CD 3.26Å; S173-R196 WeakPolarHBondContact OG-CD 3.49Å; S173-R196 PolarHBondContact OG-NE 2.84Å; S173-R196 PolarHBondContact OG-NH1 3.34Å; Q192-R196 WeakPolarHBondContact O-CG 3.35Å; Q192-R196 PolarHBondContact O-N 3.05Å; V193-R196 PolarHBondContact O-N 3.38Å; R196-T198 VanDerWaalsContact C-N 3.34Å; R196-L199 PolarHBondContact O-N 3.39Å; R196-F200 WeakPolarHBondContact O-CB 3.42Å; R196-F200 PolarHBondContact O-N 3.33Å
197	A	84.4	Confident	84.5	Confident	38 Å²	38	68.4 Å²	68.4	31%	0.314	36%	0.356	S	S	.	.	H	α-helix	trans	-66.4	-38.5	173.6	0	0	0	0	0	111.2	L170 V193 E195 F200 R201	L170-A197 HydrophobicContact CD1-CB 3.91Å; L170-A197 HydrophobicContact CD2-CB 4.33Å; V193-A197 WeakPolarHBondContact O-CB 3.43Å; V193-A197 PolarHBondContact O-N 3.03Å; E195-A197 PolarHBondContact O-N 2.98Å; A197-F200 PolarHBondContact O-N 3.31Å; A197-R201 WeakPolarHBondContact O-CB 3.12Å; A197-R201 PolarHBondContact O-N 3.42Å
198	T	85.5	Confident	85.1	Confident	61 Å²	61	69.7 Å²	69.7	37%	0.374	35%	0.348	S	S	.	.	H	α-helix	trans	-64.8	-44.9	175.1	-59	0	0	0	0	111.2	T194 E195 R196 R201 I202	T194-T198 WeakPolarHBondContact O-CB 3.46Å; T194-T198 PolarHBondContact O-N 2.84Å; T194-T198 PolarHBondContact O-OG1 3.18Å; E195-T198 WeakPolarHBondContact O-CB 3.38Å; E195-T198 PolarHBondContact O-N 3.49Å; R196-T198 VanDerWaalsContact C-N 3.34Å; T198-R201 PolarHBondContact O-N 3.43Å; T198-I202 HydrophobicContact CG2-CD1 4.06Å; T198-I202 VanDerWaalsContact O-CG1 3.32Å; T198-I202 WeakPolarHBondContact O-CG1 3.45Å; T198-I202 PolarHBondContact O-N 3.33Å
199	L	82.7	Confident	85.6	Confident	71 Å²	71	68.7 Å²	68.7	37%	0.372	35%	0.346	S	S	.	.	H	α-helix	trans	-60.9	-46.8	175.6	-71.8	171.4	0	0	0	111.9	E195 R196 R201 I202 T203	E195-L199 PolarHBondContact O-N 2.85Å; R196-L199 PolarHBondContact O-N 3.39Å; L199-R201 VanDerWaalsContact C-N 3.3Å; L199-R201 PolarHBondContact O-N 2.95Å; L199-I202 PolarHBondContact O-N 2.78Å; L199-T203 PolarHBondContact O-N 2.87Å; L199-T203 PolarHBondContact O-OG1 2.86Å
200	F	86.6	Confident	86	Confident	64 Å²	64	66.9 Å²	66.9	28%	0.281	34%	0.341	S	S	.	.	H	α-helix	trans	-60.4	-39.3	176.6	-177.7	-106.2	0	0	0	112.5	I163 H166 L170 R196 A197 T203 S204	I163-F200 HydrophobicContact CG2-CE2 3.93Å; H166-F200 HydrophobicContact CB-CB 4.31Å; H166-F200 HydrophobicContact CB-CD2 4.21Å; L170-F200 HydrophobicContact CD2-CB 4.01Å; L170-F200 HydrophobicContact CD2-CD1 4.04Å; L170-F200 HydrophobicContact CD2-CG 4.09Å; R196-F200 WeakPolarHBondContact O-CB 3.42Å; R196-F200 PolarHBondContact O-N 3.33Å; A197-F200 PolarHBondContact O-N 3.31Å; F200-T203 PolarHBondContact O-OG1 2.83Å; F200-S204 VanDerWaalsContact O-CB 3.25Å; F200-S204 WeakPolarHBondContact O-CB 3.33Å; F200-S204 PolarHBondContact O-N 2.75Å; F200-S204 PolarHBondContact O-OG 2.96Å
201	R	85.9	Confident	86.3	Confident	155 Å²	155	65.7 Å²	65.7	59%	0.585	34%	0.339	S	S	*	.	H	α-helix	trans	-64.7	-41.3	175.3	-172	-175.2	69.7	103.7	1.7	112	A197 T198 L199 N205	A197-R201 WeakPolarHBondContact O-CB 3.12Å; A197-R201 PolarHBondContact O-N 3.42Å; T198-R201 PolarHBondContact O-N 3.43Å; L199-R201 VanDerWaalsContact C-N 3.3Å; L199-R201 PolarHBondContact O-N 2.95Å; R201-N205 WeakPolarHBondContact O-CB 3.34Å; R201-N205 PolarHBondContact O-N 2.86Å; R201-N205 PolarHBondContact O-ND2 3.48Å; R201-N205 VanDerWaalsContact O-ND2 3.14Å
202	I	85.1	Confident	86.7	Confident	92 Å²	92	66 Å²	66	47%	0.472	34%	0.34	S	S	.	.	H	α-helix	trans	-63.1	-48	177.7	-69.3	165.3	0	0	0	110.1	T198 L199 N205 A206	T198-I202 HydrophobicContact CG2-CD1 4.06Å; T198-I202 VanDerWaalsContact O-CG1 3.32Å; T198-I202 WeakPolarHBondContact O-CG1 3.45Å; T198-I202 PolarHBondContact O-N 3.33Å; L199-I202 PolarHBondContact O-N 2.78Å; I202-N205 PolarHBondContact O-N 3.45Å; I202-A206 PolarHBondContact O-N 2.87Å
203	T	87	Confident	86.8	Confident	14 Å²	14	67.7 Å²	67.7	9%	0.086	35%	0.35	C	S	.	.	H	α-helix	trans	-71.4	-32.1	-179	58.6	0	0	0	0	113.1	L162 H166 L199 F200 A206 M207	L162-T203 HydrophobicContact CB-CG2 4.18Å; H166-T203 WeakPolarHBondContact CD2-CG2 3.45Å; L199-T203 PolarHBondContact O-N 2.87Å; L199-T203 PolarHBondContact O-OG1 2.86Å; F200-T203 PolarHBondContact O-OG1 2.83Å; T203-A206 PolarHBondContact O-N 3.48Å; T203-M207 PolarHBondContact O-N 3.35Å
204	S	86.7	Confident	87	Confident	30 Å²	30	69.6 Å²	69.6	21%	0.21	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-43.1	170.6	-61.2	0	0	0	0	112	F200 M207 I208	F200-S204 VanDerWaalsContact O-CB 3.25Å; F200-S204 WeakPolarHBondContact O-CB 3.33Å; F200-S204 PolarHBondContact O-N 2.75Å; F200-S204 PolarHBondContact O-OG 2.96Å; S204-M207 PolarHBondContact O-N 3.4Å; S204-I208 VanDerWaalsContact O-CG1 3.32Å; S204-I208 WeakPolarHBondContact O-CG1 3.23Å; S204-I208 PolarHBondContact O-N 2.79Å
205	N	87.4	Confident	87.2	Confident	76 Å²	76	70.2 Å²	70.2	41%	0.406	36%	0.357	S	S	.	.	H	α-helix	trans	-66.1	-37.7	175.1	-79.2	-40.9	0	0	0	112.4	R201 I202 I208 N209	R201-N205 WeakPolarHBondContact O-CB 3.34Å; R201-N205 PolarHBondContact O-N 2.86Å; R201-N205 PolarHBondContact O-ND2 3.48Å; R201-N205 VanDerWaalsContact O-ND2 3.14Å; I202-N205 PolarHBondContact O-N 3.45Å; N205-I208 PolarHBondContact O-N 3.13Å; N205-N209 PolarHBondContact O-N 2.86Å; N205-N209 PolarHBondContact O-ND2 2.8Å
206	A	85.9	Confident	87.2	Confident	44 Å²	44	68.9 Å²	68.9	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-60.5	-44	175	0	0	0	0	0	111.7	I202 T203 N209 A210	I202-A206 PolarHBondContact O-N 2.87Å; T203-A206 PolarHBondContact O-N 3.48Å; A206-N209 PolarHBondContact O-N 3.01Å; A206-A210 PolarHBondContact O-N 3.5Å
207	M	89.1	Confident	87.1	Confident	41 Å²	41	67.3 Å²	67.3	20%	0.202	36%	0.356	C	S	.	.	H	α-helix	trans	-62.9	-43.5	175	-177.3	65.6	176	0	0	112.7	L156 C159 N160 I163 T203 S204 N209 A210 C211	L156-M207 HydrophobicContact CD2-CE 3.84Å; L156-M207 HydrophobicContact CD2-SD 3.77Å; C159-M207 HydrophobicContact CB-CB 3.98Å; C159-M207 HydrophobicContact CB-CG 4.4Å; C159-M207 HydrophobicContact CB-SD 3.53Å; C159-M207 VanDerWaalsContact CB-SD 3.53Å; N160-M207 HydrophobicContact CB-CE 4.46Å; I163-M207 HydrophobicContact CD1-CB 3.32Å; I163-M207 HydrophobicContact CD1-CG 3.65Å; I163-M207 HydrophobicContact CG1-CB 4.47Å; T203-M207 PolarHBondContact O-N 3.35Å; S204-M207 PolarHBondContact O-N 3.4Å; M207-N209 PolarHBondContact O-N 3.14Å; M207-A210 PolarHBondContact O-N 3.2Å; M207-C211 WeakPolarHBondContact O-CB 3.4Å; M207-C211 PolarHBondContact O-N 3.13Å; M207-C211 PolarHBondContact O-SG 3.12Å; M207-C211 VanDerWaalsContact O-SG 3.35Å
208	I	87.9	Confident	87.2	Confident	86 Å²	86	66.9 Å²	66.9	44%	0.441	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-40.4	177.5	-69.5	165.8	0	0	0	110.6	S204 N205 R212	S204-I208 VanDerWaalsContact O-CG1 3.32Å; S204-I208 WeakPolarHBondContact O-CG1 3.23Å; S204-I208 PolarHBondContact O-N 2.79Å; N205-I208 PolarHBondContact O-N 3.13Å; I208-R212 WeakPolarHBondContact O-CB 3.38Å; I208-R212 PolarHBondContact O-N 3.13Å
209	N	88	Confident	87.1	Confident	79 Å²	79	69.4 Å²	69.4	42%	0.422	36%	0.36	S	S	.	.	H	α-helix	trans	-69.4	-44.9	177	-69.4	-24	0	0	0	111.9	N205 A206 M207 C211 R212 D213	N205-N209 PolarHBondContact O-N 2.86Å; N205-N209 PolarHBondContact O-ND2 2.8Å; A206-N209 PolarHBondContact O-N 3.01Å; M207-N209 PolarHBondContact O-N 3.14Å; N209-C211 VanDerWaalsContact C-N 3.31Å; N209-C211 PolarHBondContact O-N 2.78Å; N209-R212 WeakPolarHBondContact O-CB 3.29Å; N209-R212 PolarHBondContact O-N 3.23Å; N209-R212 VanDerWaalsContact O-N 3.09Å; N209-R212 PolarHBondContact OD1-NH1 3.4Å; N209-D213 PolarHBondContact O-N 3.46Å
210	A	88.3	Confident	87.1	Confident	13 Å²	13	68.4 Å²	68.4	11%	0.107	36%	0.359	C	S	.	.	H	α-helix	trans	-59.4	-40.4	175.5	0	0	0	0	0	112.3	L156 A206 M207 D213 F214	L156-A210 HydrophobicContact CD2-CB 3.75Å; L156-A210 HydrophobicContact CG-CB 4.3Å; A206-A210 PolarHBondContact O-N 3.5Å; M207-A210 PolarHBondContact O-N 3.2Å; A210-D213 PolarHBondContact O-N 2.98Å; A210-F214 WeakPolarHBondContact O-CB 3.48Å; A210-F214 PolarHBondContact O-N 2.98Å
211	C	87	Confident	86.9	Confident	56 Å²	56	66.4 Å²	66.4	38%	0.378	35%	0.35	S	S	.	.	H	α-helix	trans	-62.8	-41.6	173.9	-76.2	0	0	0	0	111.9	L156 M207 N209 L215	L156-C211 HydrophobicContact CD2-CB 4.28Å; L156-C211 WeakPolarHBondContact CD2-SG 3.34Å; M207-C211 WeakPolarHBondContact O-CB 3.4Å; M207-C211 PolarHBondContact O-N 3.13Å; M207-C211 PolarHBondContact O-SG 3.12Å; M207-C211 VanDerWaalsContact O-SG 3.35Å; N209-C211 VanDerWaalsContact C-N 3.31Å; N209-C211 PolarHBondContact O-N 2.78Å; C211-L215 VanDerWaalsContact O-CB 3.26Å; C211-L215 WeakPolarHBondContact O-CB 3.42Å; C211-L215 PolarHBondContact O-N 3.01Å
212	R	90.1	Very high	86.6	Confident	147 Å²	147	61.7 Å²	61.7	56%	0.555	34%	0.341	S	S	*	.	H	α-helix	trans	-65.5	-42	178.8	-169.3	-177.9	-67.7	126.1	-0.2	111.4	I208 N209 L215 S216	I208-R212 WeakPolarHBondContact O-CB 3.38Å; I208-R212 PolarHBondContact O-N 3.13Å; N209-R212 WeakPolarHBondContact O-CB 3.29Å; N209-R212 PolarHBondContact O-N 3.23Å; N209-R212 VanDerWaalsContact O-N 3.09Å; N209-R212 PolarHBondContact OD1-NH1 3.4Å; R212-L215 PolarHBondContact O-N 3.02Å; R212-S216 WeakPolarHBondContact O-CB 3.46Å; R212-S216 PolarHBondContact O-N 2.88Å
213	D	87.9	Confident	86.2	Confident	81 Å²	81	64.7 Å²	64.7	43%	0.433	35%	0.351	S	S	.	.	H	α-helix	trans	-67.4	-45.5	179	-69.7	-10	0	0	0	111.5	N209 A210 L215 S216 I217	N209-D213 PolarHBondContact O-N 3.46Å; A210-D213 PolarHBondContact O-N 2.98Å; D213-L215 PolarHBondContact O-N 2.96Å; D213-S216 PolarHBondContact O-N 3.01Å; D213-I217 WeakPolarHBondContact O-CG1 3.46Å; D213-I217 PolarHBondContact O-N 2.85Å
214	F	91.6	Very high	85.8	Confident	61 Å²	61	72 Å²	72	27%	0.268	38%	0.377	S	S	.	.	H	α-helix	trans	-58.7	-47.1	174.4	178.2	-94.9	0	0	0	111.5	L149 K152 V153 L156 A210 S216 I217 A218	L149-F214 HydrophobicContact CD2-CD2 4.02Å; L149-F214 HydrophobicContact CD2-CE2 3.5Å; L149-F214 VanDerWaalsContact CD2-CE2 3.5Å; L149-F214 HydrophobicContact CD2-CZ 4.02Å; K152-F214 HydrophobicContact CB-CB 4.39Å; K152-F214 HydrophobicContact CB-CD2 3.82Å; V153-F214 HydrophobicContact CG2-CD2 4.2Å; V153-F214 HydrophobicContact CG2-CE2 3.57Å; V153-F214 HydrophobicContact CG2-CZ 4.24Å; L156-F214 HydrophobicContact CD1-CB 3.89Å; L156-F214 HydrophobicContact CD1-CD1 4.32Å; L156-F214 HydrophobicContact CD1-CD2 4.23Å; L156-F214 HydrophobicContact CD1-CG 3.88Å; A210-F214 WeakPolarHBondContact O-CB 3.48Å; A210-F214 PolarHBondContact O-N 2.98Å; F214-S216 VanDerWaalsContact C-N 3.35Å; F214-S216 PolarHBondContact O-N 2.86Å; F214-I217 PolarHBondContact O-N 3.3Å; F214-A218 HydrophobicContact CE1-CB 4.4Å; F214-A218 VanDerWaalsContact O-CB 3.28Å; F214-A218 WeakPolarHBondContact O-CB 3.12Å; F214-A218 PolarHBondContact O-N 2.81Å
215	L	87.9	Confident	85.3	Confident	92 Å²	92	75.9 Å²	75.9	48%	0.482	39%	0.387	S	S	.	.	H	α-helix	trans	-62	-42.2	179.9	-176.7	63.6	0	0	0	111.9	C211 R212 D213 A218 Q219	C211-L215 VanDerWaalsContact O-CB 3.26Å; C211-L215 WeakPolarHBondContact O-CB 3.42Å; C211-L215 PolarHBondContact O-N 3.01Å; R212-L215 PolarHBondContact O-N 3.02Å; D213-L215 PolarHBondContact O-N 2.96Å; L215-A218 PolarHBondContact O-N 2.64Å; L215-Q219 HydrophobicContact CD1-CG 4.19Å; L215-Q219 HydrophobicContact CG-CG 4.44Å; L215-Q219 WeakPolarHBondContact O-CB 3.4Å; L215-Q219 VanDerWaalsContact O-CG 3.25Å; L215-Q219 WeakPolarHBondContact O-CG 3.12Å; L215-Q219 PolarHBondContact O-N 2.6Å
216	S	87.9	Confident	84.8	Confident	75 Å²	75	78.4 Å²	78.4	52%	0.524	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-49	177	-177.5	0	0	0	0	111.6	R212 D213 F214 Q219 S220	R212-S216 WeakPolarHBondContact O-CB 3.46Å; R212-S216 PolarHBondContact O-N 2.88Å; D213-S216 PolarHBondContact O-N 3.01Å; F214-S216 VanDerWaalsContact C-N 3.35Å; F214-S216 PolarHBondContact O-N 2.86Å; S216-Q219 PolarHBondContact O-N 2.93Å; S216-S220 WeakPolarHBondContact O-CB 3.38Å; S216-S220 PolarHBondContact O-N 2.89Å
217	I	86.4	Confident	84.4	Confident	37 Å²	37	83.7 Å²	83.7	19%	0.19	41%	0.411	C	S	.	.	H	α-helix	trans	-63.2	-48.9	179	-68.9	168.2	0	0	0	110	L149 K152 D213 F214 Q219 S220 H221	L149-I217 HydrophobicContact CD2-CG2 4.09Å; L149-I217 HydrophobicContact CG-CG2 4.08Å; K152-I217 HydrophobicContact CD-CD1 4.16Å; K152-I217 HydrophobicContact CG-CD1 3.9Å; D213-I217 WeakPolarHBondContact O-CG1 3.46Å; D213-I217 PolarHBondContact O-N 2.85Å; F214-I217 PolarHBondContact O-N 3.3Å; I217-Q219 PolarHBondContact O-N 2.59Å; I217-S220 PolarHBondContact O-N 2.93Å; I217-S220 PolarHBondContact O-OG 3.21Å; I217-H221 PolarHBondContact O-CD2 3.11Å; I217-H221 PolarHBondContact O-N 3.09Å
218	A	85.5	Confident	83.8	Confident	30 Å²	30	84.2 Å²	84.2	25%	0.248	42%	0.422	C	S	.	.	H	α-helix	trans	-59.6	-43.4	179.3	0	0	0	0	0	112.8	L149 F214 L215 H221 S222	L149-A218 HydrophobicContact CD2-CB 4.07Å; F214-A218 HydrophobicContact CE1-CB 4.4Å; F214-A218 VanDerWaalsContact O-CB 3.28Å; F214-A218 WeakPolarHBondContact O-CB 3.12Å; F214-A218 PolarHBondContact O-N 2.81Å; L215-A218 PolarHBondContact O-N 2.64Å; A218-H221 PolarHBondContact O-N 2.72Å; A218-S222 VanDerWaalsContact O-CB 3.27Å; A218-S222 WeakPolarHBondContact O-CB 3.45Å; A218-S222 PolarHBondContact O-N 2.65Å
219	Q	85.1	Confident	83.1	Confident	114 Å²	114	84.7 Å²	84.7	53%	0.533	43%	0.425	S	S	.	.	H	α-helix	trans	-65.9	-39.4	177.5	-75.6	179.4	-6.3	0	0	112.4	L215 S216 I217 K223	L215-Q219 HydrophobicContact CD1-CG 4.19Å; L215-Q219 HydrophobicContact CG-CG 4.44Å; L215-Q219 WeakPolarHBondContact O-CB 3.4Å; L215-Q219 VanDerWaalsContact O-CG 3.25Å; L215-Q219 WeakPolarHBondContact O-CG 3.12Å; L215-Q219 PolarHBondContact O-N 2.6Å; S216-Q219 PolarHBondContact O-N 2.93Å; I217-Q219 PolarHBondContact O-N 2.59Å; Q219-K223 PolarHBondContact O-N 2.94Å
220	S	81.9	Confident	82.7	Confident	49 Å²	49	85 Å²	85	34%	0.343	42%	0.424	S	S	.	.	H	α-helix	trans	-64.8	-41.7	178.5	78.3	0	0	0	0	112	S216 I217 R224	S216-S220 WeakPolarHBondContact O-CB 3.38Å; S216-S220 PolarHBondContact O-N 2.89Å; I217-S220 PolarHBondContact O-N 2.93Å; I217-S220 PolarHBondContact O-OG 3.21Å; S220-R224 WeakPolarHBondContact O-CG 3.48Å; S220-R224 PolarHBondContact O-N 3.05Å
221	H	82.4	Confident	82.2	Confident	22 Å²	22	87.3 Å²	87.3	10%	0.102	44%	0.437	C	S	.	.	H	α-helix	trans	-74.3	-37.9	178.3	-73.2	-62.4	0	0	0	112.6	T145 I217 A218 K223 R224 W225	T145-H221 WeakPolarHBondContact CG2-CE1 3.45Å; T145-H221 WeakPolarHBondContact CG2-ND1 3.33Å; I217-H221 PolarHBondContact O-CD2 3.11Å; I217-H221 PolarHBondContact O-N 3.09Å; A218-H221 PolarHBondContact O-N 2.72Å; H221-K223 VanDerWaalsContact C-N 3.34Å; H221-K223 PolarHBondContact O-N 3.14Å; H221-R224 PolarHBondContact O-N 2.86Å; H221-R224 VanDerWaalsContact O-N 3.08Å; H221-W225 PolarHBondContact O-N 3.44Å
222	S	78.4	Confident	81.3	Confident	57 Å²	57	90.1 Å²	90.1	40%	0.399	44%	0.444	S	S	.	.	H	α-helix	trans	-56.4	-45.7	176.6	179.2	0	0	0	0	112.2	A218 R224 W225 Q226	A218-S222 VanDerWaalsContact O-CB 3.27Å; A218-S222 WeakPolarHBondContact O-CB 3.45Å; A218-S222 PolarHBondContact O-N 2.65Å; S222-R224 PolarHBondContact O-N 3.21Å; S222-W225 PolarHBondContact O-N 3.39Å; S222-Q226 WeakPolarHBondContact O-CG 3.42Å; S222-Q226 PolarHBondContact O-N 2.93Å
223	K	78.1	Confident	80.7	Confident	155 Å²	155	90 Å²	90	67%	0.674	44%	0.443	S	S	*	.	H	α-helix	trans	-62.8	-39.4	175.4	-71.8	-177.9	-179.9	178.5	0	112.6	Q219 H221 K227	Q219-K223 PolarHBondContact O-N 2.94Å; H221-K223 VanDerWaalsContact C-N 3.34Å; H221-K223 PolarHBondContact O-N 3.14Å; K223-K227 PolarHBondContact O-N 3.46Å; K223-K227 VanDerWaalsContact O-N 3.11Å
224	R	77.3	Confident	80.3	Confident	168 Å²	168	91 Å²	91	63%	0.634	45%	0.446	S	S	*	.	H	α-helix	trans	-66.5	-43.7	176.9	-71.2	-178.3	-170.4	-177.5	4.6	111.6	S220 H221 S222 K227 A228	S220-R224 WeakPolarHBondContact O-CG 3.48Å; S220-R224 PolarHBondContact O-N 3.05Å; H221-R224 PolarHBondContact O-N 2.86Å; H221-R224 VanDerWaalsContact O-N 3.08Å; S222-R224 PolarHBondContact O-N 3.21Å; R224-K227 PolarHBondContact O-N 2.94Å; R224-A228 WeakPolarHBondContact O-CB 3.31Å; R224-A228 PolarHBondContact O-N 3.43Å
225	W	76.9	Confident	79.4	Confident	111 Å²	111	93 Å²	93	42%	0.42	46%	0.456	S	S	.	.	H	α-helix	trans	-66.3	-39.3	177.2	-70.3	-17.2	0	0	0	112.6	L149 H221 S222 K227 A228 L229	L149-W225 HydrophobicContact CD1-CH2 4.49Å; H221-W225 PolarHBondContact O-N 3.44Å; S222-W225 PolarHBondContact O-N 3.39Å; W225-K227 VanDerWaalsContact C-N 3.31Å; W225-K227 PolarHBondContact O-N 3.03Å; W225-A228 PolarHBondContact O-N 3.43Å; W225-L229 VanDerWaalsContact O-CB 3.23Å; W225-L229 WeakPolarHBondContact O-CB 3.43Å; W225-L229 PolarHBondContact O-N 3.39Å
226	Q	76.4	Confident	78.7	Confident	129 Å²	129	96.4 Å²	96.4	60%	0.603	46%	0.462	S	S	*	.	H	α-helix	trans	-59.6	-42.9	172.1	-79.2	-177.2	-29.9	0	0	111.7	S222 Q230	S222-Q226 WeakPolarHBondContact O-CG 3.42Å; S222-Q226 PolarHBondContact O-N 2.93Å; Q226-Q230 WeakPolarHBondContact O-CB 3.45Å; Q226-Q230 PolarHBondContact O-N 2.85Å
227	K	79.1	Confident	78.2	Confident	155 Å²	155	97.1 Å²	97.1	67%	0.674	46%	0.459	S	S	*	.	H	α-helix	trans	-66.5	-45	177.2	-167.7	176.5	-178.9	-178.5	0	112.1	K223 R224 W225 Q230 T231	K223-K227 PolarHBondContact O-N 3.46Å; K223-K227 VanDerWaalsContact O-N 3.11Å; R224-K227 PolarHBondContact O-N 2.94Å; W225-K227 VanDerWaalsContact C-N 3.31Å; W225-K227 PolarHBondContact O-N 3.03Å; K227-Q230 PolarHBondContact O-N 3.41Å; K227-T231 PolarHBondContact O-N 3.23Å; K227-T231 PolarHBondContact O-OG1 2.93Å
228	A	74.7	Confident	77.9	Confident	52 Å²	52	104 Å²	104	43%	0.43	48%	0.483	S	S	.	.	H	α-helix	trans	-62.4	-43.6	177.3	0	0	0	0	0	111.9	R224 W225 Q230 T231 E232	R224-A228 WeakPolarHBondContact O-CB 3.31Å; R224-A228 PolarHBondContact O-N 3.43Å; W225-A228 PolarHBondContact O-N 3.43Å; A228-Q230 VanDerWaalsContact C-N 3.31Å; A228-Q230 PolarHBondContact O-N 2.96Å; A228-T231 PolarHBondContact O-N 2.88Å; A228-E232 PolarHBondContact O-N 3.41Å
229	L	74.8	Confident	77.1	Confident	95 Å²	95	108 Å²	108	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-61.8	-39.5	175.3	-179.7	63.9	0	0	0	111.8	W225 E232 R233	W225-L229 VanDerWaalsContact O-CB 3.23Å; W225-L229 WeakPolarHBondContact O-CB 3.43Å; W225-L229 PolarHBondContact O-N 3.39Å; L229-E232 PolarHBondContact O-N 2.9Å; L229-R233 WeakPolarHBondContact O-CG 3.41Å; L229-R233 PolarHBondContact O-N 3.29Å
230	Q	79.8	Confident	76.1	Confident	86 Å²	86	107.3 Å²	107.3	40%	0.402	50%	0.496	S	S	.	.	H	α-helix	trans	-66.3	-43.8	176.5	-174.5	60.1	27.2	0	0	111.5	Q226 K227 A228 E232 R233 E234	Q226-Q230 WeakPolarHBondContact O-CB 3.45Å; Q226-Q230 PolarHBondContact O-N 2.85Å; K227-Q230 PolarHBondContact O-N 3.41Å; A228-Q230 VanDerWaalsContact C-N 3.31Å; A228-Q230 PolarHBondContact O-N 2.96Å; Q230-E232 VanDerWaalsContact C-N 3.29Å; Q230-E232 PolarHBondContact O-N 3.27Å; Q230-R233 PolarHBondContact O-N 3.4Å; Q230-E234 WeakPolarHBondContact CG-OE1 3.47Å; Q230-E234 PolarHBondContact NE2-OE1 2.91Å; Q230-E234 WeakPolarHBondContact O-CG 3.21Å; Q230-E234 PolarHBondContact O-N 3.4Å
231	T	75.9	Confident	75.8	Confident	62 Å²	62	110 Å²	110	38%	0.38	50%	0.504	S	S	.	.	H	α-helix	trans	-60.1	-39.8	173.8	-56	0	0	0	0	111.7	K227 A228 E234 Q235	K227-T231 PolarHBondContact O-N 3.23Å; K227-T231 PolarHBondContact O-OG1 2.93Å; A228-T231 PolarHBondContact O-N 2.88Å; T231-E234 PolarHBondContact O-N 3.41Å; T231-Q235 WeakPolarHBondContact O-CG 3.31Å; T231-Q235 PolarHBondContact O-N 3.27Å
232	E	70.1	Confident	75.3	Confident	114 Å²	114	111.7 Å²	111.7	53%	0.533	52%	0.515	S	S	.	.	H	α-helix	trans	-68.5	-38.9	177.8	-167.8	63.7	-179.1	0	0	112.4	A228 L229 Q230 E234 Q235 R236	A228-E232 PolarHBondContact O-N 3.41Å; L229-E232 PolarHBondContact O-N 2.9Å; Q230-E232 VanDerWaalsContact C-N 3.29Å; Q230-E232 PolarHBondContact O-N 3.27Å; E232-E234 VanDerWaalsContact C-N 3.34Å; E232-E234 PolarHBondContact O-N 3.26Å; E232-Q235 PolarHBondContact O-N 3.24Å; E232-Q235 PolarHBondContact OE2-OE1 3.17Å; E232-R236 WeakPolarHBondContact O-CB 3.44Å; E232-R236 PolarHBondContact O-N 2.98Å
233	R	76	Confident	74.4	Confident	144 Å²	144	114.4 Å²	114.4	54%	0.543	53%	0.525	S	S	.	.	H	α-helix	trans	-61	-43.5	172.4	-74.8	172.8	176.7	-173.5	-2.3	111.6	L229 Q230 R236 I237	L229-R233 WeakPolarHBondContact O-CG 3.41Å; L229-R233 PolarHBondContact O-N 3.29Å; Q230-R233 PolarHBondContact O-N 3.4Å; R233-R236 PolarHBondContact O-N 3.27Å; R233-I237 WeakPolarHBondContact O-CG1 3.42Å; R233-I237 PolarHBondContact O-N 2.7Å
234	E	80.3	Confident	73.8	Confident	103 Å²	103	110.2 Å²	110.2	48%	0.481	51%	0.507	S	S	.	.	H	α-helix	trans	-66.7	-40.8	177.5	-73.3	166.7	-166.9	0	0	112.1	Q230 T231 E232 R236 I237 R238	Q230-E234 WeakPolarHBondContact CG-OE1 3.47Å; Q230-E234 PolarHBondContact NE2-OE1 2.91Å; Q230-E234 WeakPolarHBondContact O-CG 3.21Å; Q230-E234 PolarHBondContact O-N 3.4Å; T231-E234 PolarHBondContact O-N 3.41Å; E232-E234 VanDerWaalsContact C-N 3.34Å; E232-E234 PolarHBondContact O-N 3.26Å; E234-R236 VanDerWaalsContact C-N 3.34Å; E234-I237 PolarHBondContact O-N 2.81Å; E234-R238 WeakPolarHBondContact O-CB 3.22Å; E234-R238 PolarHBondContact O-N 3.03Å
235	Q	72.8	Confident	73.2	Confident	104 Å²	104	107.9 Å²	107.9	49%	0.486	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-42.7	172.6	-78.7	-171	6.4	0	0	111.6	T231 E232 R238 L239	T231-Q235 WeakPolarHBondContact O-CG 3.31Å; T231-Q235 PolarHBondContact O-N 3.27Å; E232-Q235 PolarHBondContact O-N 3.24Å; E232-Q235 PolarHBondContact OE2-OE1 3.17Å; Q235-R238 PolarHBondContact O-N 3.38Å; Q235-L239 WeakPolarHBondContact O-CB 3.21Å; Q235-L239 VanDerWaalsContact O-CG 3.31Å; Q235-L239 WeakPolarHBondContact O-CG 3.19Å; Q235-L239 PolarHBondContact O-N 2.81Å
236	R	72.1	Confident	72.6	Confident	162 Å²	162	107.9 Å²	107.9	61%	0.611	51%	0.512	S	S	*	.	H	α-helix	trans	-61.5	-47.3	176.9	-178.1	-179.1	166.7	-173.8	-4.6	112	E232 R233 E234 R238 L239 E240	E232-R236 WeakPolarHBondContact O-CB 3.44Å; E232-R236 PolarHBondContact O-N 2.98Å; R233-R236 PolarHBondContact O-N 3.27Å; E234-R236 VanDerWaalsContact C-N 3.34Å; R236-R238 VanDerWaalsContact C-N 3.32Å; R236-R238 PolarHBondContact O-N 3.08Å; R236-L239 PolarHBondContact O-N 2.87Å; R236-E240 IonicContact CZ-OE1 3.17Å; R236-E240 IonicContact NE-OE1 3.87Å; R236-E240 PolarHBondContact NE-OE1 3.33Å; R236-E240 IonicContact NH2-OE1 2.79Å; R236-E240 PolarHBondContact NH2-OE1 3.04Å; R236-E240 VanDerWaalsContact NH2-OE1 3.14Å; R236-E240 WeakPolarHBondContact O-CG 3.45Å; R236-E240 PolarHBondContact O-N 3.38Å
237	I	79.1	Confident	71.4	Confident	91 Å²	91	103.3 Å²	103.3	47%	0.467	50%	0.496	S	S	.	.	H	α-helix	trans	-59	-46.3	176.9	-69.1	165.4	0	0	0	110	R233 E234 L239 E240 E241	R233-I237 WeakPolarHBondContact O-CG1 3.42Å; R233-I237 PolarHBondContact O-N 2.7Å; E234-I237 PolarHBondContact O-N 2.81Å; I237-L239 VanDerWaalsContact C-N 3.32Å; I237-L239 PolarHBondContact O-N 2.67Å; I237-E240 PolarHBondContact O-N 3.22Å; I237-E241 WeakPolarHBondContact O-CG 3.37Å; I237-E241 PolarHBondContact O-N 3.43Å
238	R	80.1	Confident	70.4	Confident	181 Å²	181	100 Å²	100	68%	0.683	48%	0.482	S	S	*	.	H	α-helix	trans	-63	-37.1	177.8	-170.9	176.2	-177.7	164	1	112.8	E234 Q235 R236 T242	E234-R238 WeakPolarHBondContact O-CB 3.22Å; E234-R238 PolarHBondContact O-N 3.03Å; Q235-R238 PolarHBondContact O-N 3.38Å; R236-R238 VanDerWaalsContact C-N 3.32Å; R236-R238 PolarHBondContact O-N 3.08Å; R238-T242 WeakPolarHBondContact O-CB 3.46Å; R238-T242 VanDerWaalsContact O-CG2 3.28Å; R238-T242 WeakPolarHBondContact O-CG2 3.25Å; R238-T242 PolarHBondContact O-N 3.29Å; R238-T242 PolarHBondContact O-OG1 3.21Å
239	L	68.3	Low	69.6	Low	113 Å²	113	102.5 Å²	102.5	59%	0.592	48%	0.484	S	S	*	.	H	α-helix	trans	-67.9	-41.1	174.2	-77	168.9	0	0	0	111.5	Q235 R236 I237 T242 L243	Q235-L239 WeakPolarHBondContact O-CB 3.21Å; Q235-L239 VanDerWaalsContact O-CG 3.31Å; Q235-L239 WeakPolarHBondContact O-CG 3.19Å; Q235-L239 PolarHBondContact O-N 2.81Å; R236-L239 PolarHBondContact O-N 2.87Å; I237-L239 VanDerWaalsContact C-N 3.32Å; I237-L239 PolarHBondContact O-N 2.67Å; L239-T242 WeakPolarHBondContact CA-OG1 3.14Å; L239-T242 PolarHBondContact O-N 2.77Å; L239-T242 PolarHBondContact O-OG1 2.84Å; L239-L243 VanDerWaalsContact O-CB 3.23Å; L239-L243 WeakPolarHBondContact O-CB 3.25Å; L239-L243 PolarHBondContact O-N 2.95Å
240	E	63.3	Low	68.6	Low	100 Å²	100	102.6 Å²	102.6	47%	0.467	48%	0.482	S	S	.	.	H	α-helix	trans	-62.1	-45.2	175	-74.4	173.5	-178.3	0	0	111.1	R236 I237 L243 E244	R236-E240 IonicContact CZ-OE1 3.17Å; R236-E240 IonicContact NE-OE1 3.87Å; R236-E240 PolarHBondContact NE-OE1 3.33Å; R236-E240 IonicContact NH2-OE1 2.79Å; R236-E240 PolarHBondContact NH2-OE1 3.04Å; R236-E240 VanDerWaalsContact NH2-OE1 3.14Å; R236-E240 WeakPolarHBondContact O-CG 3.45Å; R236-E240 PolarHBondContact O-N 3.38Å; I237-E240 PolarHBondContact O-N 3.22Å; E240-L243 PolarHBondContact O-N 2.88Å; E240-E244 PolarHBondContact O-N 2.81Å
241	E	76.7	Confident	67.3	Low	107 Å²	107	100.8 Å²	100.8	50%	0.5	48%	0.475	S	S	.	.	H	α-helix	trans	-63.3	-44.3	176.3	-72.3	176	171.7	0	0	112.9	I237 L243 E244 Q245	I237-E241 WeakPolarHBondContact O-CG 3.37Å; I237-E241 PolarHBondContact O-N 3.43Å; E241-L243 VanDerWaalsContact C-N 3.34Å; E241-E244 PolarHBondContact O-N 2.97Å; E241-Q245 WeakPolarHBondContact O-CG 3.27Å; E241-Q245 PolarHBondContact O-N 2.87Å
242	T	70.6	Confident	66.5	Low	56 Å²	56	104.2 Å²	104.2	34%	0.344	49%	0.487	S	S	.	.	H	α-helix	trans	-66.1	-38	177.5	49.8	0	0	0	0	111.6	R238 L239 E244 Q245 L246	R238-T242 WeakPolarHBondContact O-CB 3.46Å; R238-T242 VanDerWaalsContact O-CG2 3.28Å; R238-T242 WeakPolarHBondContact O-CG2 3.25Å; R238-T242 PolarHBondContact O-N 3.29Å; R238-T242 PolarHBondContact O-OG1 3.21Å; L239-T242 WeakPolarHBondContact CA-OG1 3.14Å; L239-T242 PolarHBondContact O-N 2.77Å; L239-T242 PolarHBondContact O-OG1 2.84Å; T242-E244 VanDerWaalsContact C-N 3.34Å; T242-Q245 PolarHBondContact O-N 2.88Å; T242-L246 WeakPolarHBondContact O-CB 2.93Å; T242-L246 WeakPolarHBondContact O-CD1 3.22Å; T242-L246 PolarHBondContact O-N 3.32Å
243	L	60.3	Low	65.8	Low	114 Å²	114	104.7 Å²	104.7	60%	0.597	49%	0.492	S	S	*	.	H	α-helix	trans	-65.2	-38.2	175.1	-158.8	116.7	0	0	0	111.6	L239 E240 E241 A247	L239-L243 VanDerWaalsContact O-CB 3.23Å; L239-L243 WeakPolarHBondContact O-CB 3.25Å; L239-L243 PolarHBondContact O-N 2.95Å; E240-L243 PolarHBondContact O-N 2.88Å; E241-L243 VanDerWaalsContact C-N 3.34Å; L243-A247 WeakPolarHBondContact O-CB 3.34Å; L243-A247 PolarHBondContact O-N 3.36Å
244	E	64.9	Low	65	Low	67 Å²	67	100.2 Å²	100.2	31%	0.313	48%	0.477	S	S	.	.	H	α-helix	trans	-66	-43.1	174.2	-162	-167.3	165.3	0	0	111.8	E240 E241 T242 A247 K248 Y570	E240-E244 PolarHBondContact O-N 2.81Å; E241-E244 PolarHBondContact O-N 2.97Å; T242-E244 VanDerWaalsContact C-N 3.34Å; E244-A247 WeakPolarHBondContact O-CB 3.45Å; E244-A247 PolarHBondContact O-N 3.35Å; E244-K248 WeakPolarHBondContact O-CG 3.47Å; E244-K248 PolarHBondContact O-N 2.94Å; E244-K248 WeakPolarHBondContact OE1-CE 3.4Å; E244-K248 IonicContact OE1-NZ 2.8Å; E244-K248 PolarHBondContact OE1-NZ 2.84Å; E244-K248 IonicContact OE2-NZ 3.09Å; E244-Y570 PolarHBondContact OE1-OH 2.88Å
245	Q	65.6	Low	64.1	Low	120 Å²	120	102.1 Å²	102.1	56%	0.561	48%	0.48	S	S	*	.	H	α-helix	trans	-63.3	-43.2	175.4	-74.3	179.9	5.9	0	0	112.1	E241 T242 A247 K248 Q249	E241-Q245 WeakPolarHBondContact O-CG 3.27Å; E241-Q245 PolarHBondContact O-N 2.87Å; T242-Q245 PolarHBondContact O-N 2.88Å; Q245-A247 VanDerWaalsContact C-N 3.32Å; Q245-A247 PolarHBondContact O-N 3.48Å; Q245-K248 PolarHBondContact O-N 3.3Å; Q245-Q249 WeakPolarHBondContact O-CG 3.35Å; Q245-Q249 PolarHBondContact O-N 2.77Å
246	L	64.4	Low	63.4	Low	111 Å²	111	100 Å²	100	58%	0.581	48%	0.481	S	S	*	.	H	α-helix	trans	-61.3	-39.7	173.6	-91	147.2	0	0	0	111.7	T242 Q249 H250	T242-L246 WeakPolarHBondContact O-CB 2.93Å; T242-L246 WeakPolarHBondContact O-CD1 3.22Å; T242-L246 PolarHBondContact O-N 3.32Å; L246-Q249 PolarHBondContact O-N 3.16Å; L246-H250 WeakPolarHBondContact O-CB 3.28Å; L246-H250 PolarHBondContact O-N 3.23Å
247	A	50.3	Low	62.1	Low	33 Å²	33	99.2 Å²	99.2	27%	0.273	48%	0.482	S	S	.	.	H	α-helix	trans	-65.3	-41.1	175.5	0	0	0	0	0	112.3	L243 E244 Q245 H250 N251	L243-A247 WeakPolarHBondContact O-CB 3.34Å; L243-A247 PolarHBondContact O-N 3.36Å; E244-A247 WeakPolarHBondContact O-CB 3.45Å; E244-A247 PolarHBondContact O-N 3.35Å; Q245-A247 VanDerWaalsContact C-N 3.32Å; Q245-A247 PolarHBondContact O-N 3.48Å; A247-H250 PolarHBondContact O-N 2.78Å; A247-N251 PolarHBondContact O-N 2.79Å; A247-N251 PolarHBondContact O-ND2 2.83Å
248	K	58.8	Low	60.8	Low	86 Å²	86	102.5 Å²	102.5	37%	0.374	49%	0.488	S	S	.	.	H	α-helix	trans	-61.7	-45.9	174.9	-74	171.3	-177.1	165.6	0	111.4	E244 Q245 H252 F571	E244-K248 WeakPolarHBondContact O-CG 3.47Å; E244-K248 PolarHBondContact O-N 2.94Å; E244-K248 WeakPolarHBondContact OE1-CE 3.4Å; E244-K248 IonicContact OE1-NZ 2.8Å; E244-K248 PolarHBondContact OE1-NZ 2.84Å; E244-K248 IonicContact OE2-NZ 3.09Å; Q245-K248 PolarHBondContact O-N 3.3Å; K248-H252 PolarHBondContact O-N 3.42Å; K248-H252 VanDerWaalsContact O-N 3.15Å; K248-F571 HydrophobicContact CG-CZ 4.33Å
249	Q	57.5	Low	59.3	Low	103 Å²	103	96.8 Å²	96.8	48%	0.481	49%	0.486	S	S	.	.	H	α-helix	trans	-64.2	-40.8	177.1	-72.4	179.9	-24.7	0	0	112.4	Q245 L246 H252 L253	Q245-Q249 WeakPolarHBondContact O-CG 3.35Å; Q245-Q249 PolarHBondContact O-N 2.77Å; L246-Q249 PolarHBondContact O-N 3.16Å; Q249-H252 PolarHBondContact O-N 2.85Å; Q249-L253 PolarHBondContact O-N 2.94Å
250	H	53.6	Low	58.2	Low	97 Å²	97	95.3 Å²	95.3	45%	0.449	49%	0.49	S	S	.	.	H	α-helix	trans	-64.8	-46.1	179.1	-172.7	77	0	0	0	112.5	L246 A247 H252 L253 E254	L246-H250 WeakPolarHBondContact O-CB 3.28Å; L246-H250 PolarHBondContact O-N 3.23Å; A247-H250 PolarHBondContact O-N 2.78Å; H250-H252 VanDerWaalsContact C-N 3.28Å; H250-H252 PolarHBondContact O-N 3.09Å; H250-L253 WeakPolarHBondContact O-CB 3.39Å; H250-L253 PolarHBondContact O-N 3.06Å; H250-E254 PolarHBondContact O-N 3.34Å
251	N	52.7	Low	56.9	Low	48 Å²	48	94.6 Å²	94.6	26%	0.257	49%	0.492	S	S	.	.	H	α-helix	trans	-63.5	-34.8	177.2	-75.8	-37.7	0	0	0	112.4	A247 E254 R255 F571	A247-N251 PolarHBondContact O-N 2.79Å; A247-N251 PolarHBondContact O-ND2 2.83Å; N251-E254 PolarHBondContact O-N 2.93Å; N251-R255 PolarHBondContact O-N 3.03Å; N251-F571 HydrophobicContact CB-CE2 3.78Å
252	H	58.7	Low	55	Low	135 Å²	135	95.1 Å²	95.1	63%	0.625	50%	0.503	S	S	*	.	H	α-helix	trans	-65.1	-44.8	174.1	-175.2	82.1	0	0	0	111.3	K248 Q249 H250 E254 R255 A256	K248-H252 PolarHBondContact O-N 3.42Å; K248-H252 VanDerWaalsContact O-N 3.15Å; Q249-H252 PolarHBondContact O-N 2.85Å; H250-H252 VanDerWaalsContact C-N 3.28Å; H250-H252 PolarHBondContact O-N 3.09Å; H252-E254 VanDerWaalsContact C-N 3.32Å; H252-E254 PolarHBondContact O-N 3Å; H252-R255 PolarHBondContact O-N 2.91Å; H252-A256 PolarHBondContact O-N 3.13Å
253	L	56.6	Low	53.3	Low	124 Å²	124	100 Å²	100	65%	0.649	53%	0.525	S	S	*	.	H	α-helix	trans	-62.6	-39.2	175.2	-138.3	89.5	0	0	0	111.9	Q249 H250 A256 F257	Q249-L253 PolarHBondContact O-N 2.94Å; H250-L253 WeakPolarHBondContact O-CB 3.39Å; H250-L253 PolarHBondContact O-N 3.06Å; L253-A256 PolarHBondContact O-N 3.38Å; L253-F257 WeakPolarHBondContact O-CB 3.39Å; L253-F257 PolarHBondContact O-N 2.93Å
254	E	58.7	Low	52	Low	50 Å²	50	99.7 Å²	99.7	23%	0.234	53%	0.53	C	S	.	.	H	α-helix	trans	-66.5	-38.5	178.7	-160	-176.4	164.9	0	0	111.8	H250 N251 H252 F257 R258	H250-E254 PolarHBondContact O-N 3.34Å; N251-E254 PolarHBondContact O-N 2.93Å; H252-E254 VanDerWaalsContact C-N 3.32Å; H252-E254 PolarHBondContact O-N 3Å; E254-F257 PolarHBondContact O-N 3.46Å; E254-R258 WeakPolarHBondContact O-CG 3.48Å; E254-R258 PolarHBondContact O-N 2.97Å; E254-R258 IonicContact OE1-CZ 2.92Å; E254-R258 IonicContact OE1-NE 2.7Å; E254-R258 IonicContact OE1-NH2 2.95Å; E254-R258 PolarHBondContact OE1-NH2 2.96Å
255	R	61	Low	50.6	Low	143 Å²	143	102 Å²	102	54%	0.54	55%	0.551	S	S	.	*	H	α-helix	trans	-64.3	-44.1	171.1	-81.1	-173.6	-168.7	134.3	2	112.1	N251 H252 F257 R258 G259	N251-R255 PolarHBondContact O-N 3.03Å; H252-R255 PolarHBondContact O-N 2.91Å; R255-F257 VanDerWaalsContact C-N 3.3Å; R255-F257 PolarHBondContact O-N 3.31Å; R255-R258 PolarHBondContact O-N 3.35Å; R255-G259 PolarHBondContact O-N 3.17Å
256	A	58.8	Low	48.9	Very low	60 Å²	60	101.9 Å²	101.9	50%	0.496	56%	0.564	S	S	.	*	H	α-helix	trans	-61.6	-39.7	177.3	0	0	0	0	0	111.6	H252 L253 G259 A260	H252-A256 PolarHBondContact O-N 3.13Å; L253-A256 PolarHBondContact O-N 3.38Å; A256-G259 PolarHBondContact O-N 3.13Å; A256-A260 PolarHBondContact O-N 2.84Å; A256-A260 VanDerWaalsContact O-N 3.13Å
257	F	44.7	Very low	47.3	Very low	144 Å²	144	104.4 Å²	104.4	63%	0.632	58%	0.577	S	S	*	*	H	α-helix	trans	-70	-39	177.7	-167.4	-96.2	0	0	0	113.2	L253 E254 R255 G259 A260 T261	L253-F257 WeakPolarHBondContact O-CB 3.39Å; L253-F257 PolarHBondContact O-N 2.93Å; E254-F257 PolarHBondContact O-N 3.46Å; R255-F257 VanDerWaalsContact C-N 3.3Å; R255-F257 PolarHBondContact O-N 3.31Å; F257-G259 VanDerWaalsContact C-N 3.3Å; F257-G259 PolarHBondContact O-N 3.26Å; F257-A260 PolarHBondContact O-N 3.49Å; F257-T261 HydrophobicContact CD1-CG2 4.31Å; F257-T261 HydrophobicContact CE1-CG2 3.88Å; F257-T261 HydrophobicContact CZ-CG2 4.11Å; F257-T261 PolarHBondContact O-N 3.32Å; F257-T261 PolarHBondContact O-OG1 3.04Å
258	R	51.5	Low	46.3	Very low	161 Å²	161	108.1 Å²	108.1	61%	0.608	60%	0.601	S	S	*	*	H	α-helix	trans	-66.5	-31.4	172.8	-72.1	-178.4	-170.9	-149.1	7.6	112.3	E254 R255 T261	E254-R258 WeakPolarHBondContact O-CG 3.48Å; E254-R258 PolarHBondContact O-N 2.97Å; E254-R258 IonicContact OE1-CZ 2.92Å; E254-R258 IonicContact OE1-NE 2.7Å; E254-R258 IonicContact OE1-NH2 2.95Å; E254-R258 PolarHBondContact OE1-NH2 2.96Å; R255-R258 PolarHBondContact O-N 3.35Å; R258-T261 PolarHBondContact O-OG1 3.41Å
259	G	47.8	Very low	44.9	Very low	61 Å²	61	111.6 Å²	111.6	63%	0.629	62%	0.624	S	S	*	*	H	α-helix	trans	-69.1	-31.4	172.2	0	0	0	0	0	113.7	R255 A256 F257	R255-G259 PolarHBondContact O-N 3.17Å; A256-G259 PolarHBondContact O-N 3.13Å; F257-G259 VanDerWaalsContact C-N 3.3Å; F257-G259 PolarHBondContact O-N 3.26Å
260	A	46.3	Very low	44	Very low	82 Å²	82	111.4 Å²	111.4	68%	0.678	63%	0.632	S	S	*	*	H	α-helix	trans	-86.1	-11.9	-177.5	0	0	0	0	0	114.9	A256 F257	A256-A260 PolarHBondContact O-N 2.84Å; A256-A260 VanDerWaalsContact O-N 3.13Å; F257-A260 PolarHBondContact O-N 3.49Å
261	T	36.3	Very low	42.7	Very low	84 Å²	84	113.9 Å²	113.9	52%	0.515	65%	0.648	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99	5	-174.7	41.2	0	0	0	0	114.6	F257 R258 L263	F257-T261 HydrophobicContact CD1-CG2 4.31Å; F257-T261 HydrophobicContact CE1-CG2 3.88Å; F257-T261 HydrophobicContact CZ-CG2 4.11Å; F257-T261 PolarHBondContact O-N 3.32Å; F257-T261 PolarHBondContact O-OG1 3.04Å; R258-T261 PolarHBondContact O-OG1 3.41Å; T261-L263 PolarHBondContact O-N 3.29Å; T261-L263 VanDerWaalsContact O-N 3.12Å
262	V	36.4	Very low	41.6	Very low	119 Å²	119	118.8 Å²	118.8	72%	0.721	67%	0.673	S	S	*	*			trans	-82	85.6	168.3	-173.2	0	0	0	0	108.8
263	L	34.7	Very low	40.2	Very low	157 Å²	157	116.9 Å²	116.9	82%	0.822	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-66.1	133	163.4	-77.1	164.1	0	0	0	109	T261	T261-L263 PolarHBondContact O-N 3.29Å; T261-L263 VanDerWaalsContact O-N 3.12Å
264	P	33.3	Very low	38.9	Very low	108 Å²	108	118.3 Å²	118.3	70%	0.701	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-71.4	145.8	175.3	28.6	-31.4	0	0	0	110.5	S266	P264-S266 PolarHBondContact O-N 2.92Å
265	P	33.9	Very low	37.5	Very low	116 Å²	116	124.8 Å²	124.8	75%	0.753	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-67.8	126.4	178.7	26.6	-30.7	0	0	0	110.3	L267	P265-L267 PolarHBondContact O-N 2.85Å
266	S	30.4	Very low	36	Very low	118 Å²	118	123.7 Å²	123.7	83%	0.825	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-64.8	116.9	166.2	56.8	0	0	0	0	109.7	P264	P264-S266 PolarHBondContact O-N 2.92Å
267	L	30.8	Very low	34.4	Very low	164 Å²	164	123.9 Å²	123.9	86%	0.859	73%	0.732	S	S	*	*			trans	-113.2	113.9	165.3	-81.7	166.5	0	0	0	109.4	P265	P265-L267 PolarHBondContact O-N 2.85Å
268	S	29	Very low	33.6	Very low	111 Å²	111	124.2 Å²	124.2	78%	0.776	75%	0.745	S	S	*	*			trans	-80.3	105.5	161.8	40.8	0	0	0	0	109.9
269	N	30.2	Very low	32.5	Very low	158 Å²	158	121.7 Å²	121.7	85%	0.845	75%	0.752	S	S	*	*				175.9	151.5	121.1	-103.3	-11.7	0	0	0	112.8
270	P	38.2	Very low	31.6	Very low	100 Å²	100	121.9 Å²	121.9	65%	0.649	75%	0.754	S	S	*	*			trans	-97.5	140.4	-168.9	36.5	-29.2	0	0	0	112.5
271	N	27.2	Very low	30.7	Very low	148 Å²	148	127.9 Å²	127.9	79%	0.791	76%	0.764	S	S	*	*				179.9	134.5	130	-98.6	-25.7	0	0	0	114.2
272	L	30	Very low	30.3	Very low	151 Å²	151	127.5 Å²	127.5	79%	0.791	78%	0.778	S	S	*	*			trans	81.6	110.4	145.9	-70.9	157.6	0	0	0	122.3
273	S	27.8	Very low	29.9	Very low	96 Å²	96	129.6 Å²	129.6	67%	0.671	79%	0.785	S	S	*	*			trans	82.2	99.7	131.3	66.5	0	0	0	0	122.3
274	I	29.7	Very low	29.8	Very low	153 Å²	153	126.3 Å²	126.3	79%	0.785	78%	0.78	S	S	*	*				47	111.7	114.4	-58	169.3	0	0	0	117.5
275	K	29.6	Very low	29.5	Very low	187 Å²	187	126.2 Å²	126.2	81%	0.813	78%	0.782	S	S	*	*				170.3	137.6	92.9	-127.5	159.9	-167.9	-175.1	0	113.2
276	S	28.7	Very low	29.3	Very low	120 Å²	120	128.5 Å²	128.5	84%	0.839	79%	0.788	S	S	*	*			trans	54.5	132	149.7	59.8	0	0	0	0	120.6
277	G	26.6	Very low	29.3	Very low	64 Å²	64	131.9 Å²	131.9	66%	0.66	79%	0.791	S	S	*	*			cis	161.6	152.9	2.3	0	0	0	0	0	110.2
278	V	27.8	Very low	29.3	Very low	151 Å²	151	131.5 Å²	131.5	92%	0.915	79%	0.789	S	S	*	*			trans	68.9	138.7	154	-172.4	0	0	0	0	116.1
279	S	27.4	Very low	29.5	Very low	108 Å²	108	132.8 Å²	132.8	76%	0.755	79%	0.788	S	S	*	*			cis	-164.9	149.2	-10.7	165.4	0	0	0	0	105.3
280	G	28.9	Very low	29.7	Very low	64 Å²	64	132.4 Å²	132.4	66%	0.66	79%	0.786	S	S	*	*			trans	-73.3	163.5	179.4	0	0	0	0	0	115
281	K	28.6	Very low	29.3	Very low	208 Å²	208	135.1 Å²	135.1	90%	0.904	80%	0.795	S	S	*	*			trans	-178.2	132.1	130.7	-104.6	177	176.9	-177.6	0	108.3
282	G	28.2	Very low	29.4	Very low	77 Å²	77	135.4 Å²	135.4	79%	0.794	79%	0.791	S	S	*	*			trans	-72.5	158	166	0	0	0	0	0	110.7
283	D	26.9	Very low	29.2	Very low	163 Å²	163	136.6 Å²	136.6	87%	0.872	79%	0.79	S	S	*	*				-158.3	153.9	123.6	-144.6	-13.6	0	0	0	109.9
284	A	33.7	Very low	29.2	Very low	87 Å²	87	141 Å²	141	72%	0.719	80%	0.798	S	S	*	*			trans	-72.2	144.9	169.4	0	0	0	0	0	110.4
285	S	26.8	Very low	29.1	Very low	107 Å²	107	140 Å²	140	75%	0.748	79%	0.794	S	S	*	*			trans	-146.6	112.8	151.4	66.3	0	0	0	0	109.8
286	D	29.1	Very low	29	Very low	163 Å²	163	135.3 Å²	135.3	87%	0.872	79%	0.79	S	S	*	*			trans	-51.6	128.2	149.4	-92.7	-30.7	0	0	0	108.6
287	E	30.6	Very low	28.9	Very low	189 Å²	189	137.3 Å²	137.3	88%	0.883	79%	0.788	S	S	*	*			trans	-134.2	115.6	143	-71.5	-165	165.3	0	0	108
288	D	31.2	Very low	29	Very low	156 Å²	156	142 Å²	142	83%	0.834	79%	0.793	S	S	*	*			trans	-75.2	152.9	172.8	-122.8	-16.1	0	0	0	109.9
289	D	32.8	Very low	29.4	Very low	139 Å²	139	143 Å²	143	74%	0.743	79%	0.793	S	S	*	*			trans	43	110.4	154.3	-101.9	-11	0	0	0	119.9
290	D	33.1	Very low	29.6	Very low	149 Å²	149	142.4 Å²	142.4	80%	0.797	79%	0.787	S	S	*	*				-180	112.3	123.5	-89.1	-28.7	0	0	0	108.1
291	N	29.8	Very low	29.7	Very low	157 Å²	157	145.1 Å²	145.1	84%	0.84	79%	0.791	S	S	*	*			trans	-159.4	86.8	152.4	-89.4	-48.2	0	0	0	110.4
292	E	31.2	Very low	30.2	Very low	155 Å²	155	137.7 Å²	137.7	72%	0.724	77%	0.773	S	S	*	*				43.2	111.3	129.6	-72.1	-178.4	157	0	0	119.4	F294	E292-F294 PolarHBondContact O-N 3.09Å
293	F	24.9	Very low	30.8	Very low	176 Å²	176	139.9 Å²	139.9	77%	0.772	76%	0.761	S	S	*	*			trans	-38.4	120.2	148.4	-139.6	-100.1	0	0	0	112	D295	F293-D295 HydrophobicContact CD1-CB 4.46Å; F293-D295 HydrophobicContact CE1-CB 4.4Å; F293-D295 WeakPolarHBondContact CE1-OD2 3.45Å
294	F	27.7	Very low	32	Very low	189 Å²	189	134.2 Å²	134.2	83%	0.829	73%	0.73	S	S	*	*			trans	-120.2	104.9	158.4	-96	-89.4	0	0	0	108.4	E292	E292-F294 PolarHBondContact O-N 3.09Å
295	D	28.5	Very low	32.8	Very low	131 Å²	131	133.4 Å²	133.4	70%	0.701	72%	0.717	S	S	*	*			trans	-78.3	136	168.7	-111.9	-14.6	0	0	0	109.9	F293	F293-D295 HydrophobicContact CD1-CB 4.46Å; F293-D295 HydrophobicContact CE1-CB 4.4Å; F293-D295 WeakPolarHBondContact CE1-OD2 3.45Å
296	A	27.3	Very low	33.9	Very low	89 Å²	89	128.5 Å²	128.5	74%	0.736	68%	0.682	S	S	*	*			trans	31.9	125	160.2	0	0	0	0	0	120.9
297	M	25.3	Very low	34.7	Very low	162 Å²	162	123.9 Å²	123.9	80%	0.798	66%	0.661	S	S	*	*				-175.5	135.8	119.2	-95.5	-79.9	-158.7	0	0	112
298	E	28.3	Very low	35.3	Very low	163 Å²	163	115.8 Å²	115.8	76%	0.762	63%	0.626	S	S	*	*			trans	61.6	124.1	145.4	-86.1	173.3	156.5	0	0	122.6	P300	E298-P300 VanDerWaalsContact O-CD 3.24Å; E298-P300 WeakPolarHBondContact O-CD 3.3Å
299	D	37.9	Very low	35.9	Very low	171 Å²	171	111.8 Å²	111.8	91%	0.914	61%	0.605	S	S	*	*			trans	-42.7	124.6	164.4	-110.2	-29.5	0	0	0	113.3
300	P	30.2	Very low	36.3	Very low	96 Å²	96	109 Å²	109	62%	0.623	60%	0.595	S	S	*	*			trans	-120.2	123.6	154	17.9	4.1	0	0	0	110.7	E298 G302	E298-P300 VanDerWaalsContact O-CD 3.24Å; E298-P300 WeakPolarHBondContact O-CD 3.3Å; P300-G302 PolarHBondContact O-N 2.91Å
301	T	32	Very low	36.8	Very low	120 Å²	120	110 Å²	110	74%	0.736	59%	0.592	S	S	*	*			trans	-8.7	103.5	162.6	54.7	0	0	0	0	116.7	F303	T301-F303 WeakPolarHBondContact O-CD2 3.44Å; T301-F303 WeakPolarHBondContact O-CE2 3.3Å; T301-F303 PolarHBondContact O-N 3.12Å
302	G	37.7	Very low	37.4	Very low	53 Å²	53	108.8 Å²	108.8	55%	0.546	58%	0.577	S	S	.	*			trans	43.8	55.5	141.8	0	0	0	0	0	119.8	P300	P300-G302 PolarHBondContact O-N 2.91Å
303	F	40.9	Very low	38	Very low	123 Å²	123	103.8 Å²	103.8	54%	0.539	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.1	110.6	164.9	-66.3	-81	0	0	0	110.7	T301 V624	T301-F303 WeakPolarHBondContact O-CD2 3.44Å; T301-F303 WeakPolarHBondContact O-CE2 3.3Å; T301-F303 PolarHBondContact O-N 3.12Å; F303-V624 HydrophobicContact CD1-CG1 4.43Å
304	I	53.5	Low	38.7	Very low	43 Å²	43	106.3 Å²	106.3	22%	0.221	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.6	112.5	170.1	-57.8	178.2	0	0	0	108.3	V306 V593	I304-V306 HydrophobicContact CG2-CG2 3.88Å; I304-V593 HydrophobicContact CG2-CG1 4.16Å
305	T	49.1	Very low	39	Very low	70 Å²	70	109.2 Å²	109.2	43%	0.429	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.9	112	173.1	-53.3	0	0	0	0	109.2	R622 V624	T305-R622 HydrophobicContact CG2-CB 4.46Å; T305-V624 HydrophobicContact CG2-CG2 4.29Å
306	V	51.8	Low	39.2	Very low	5 Å²	5	108.8 Å²	108.8	3%	0.03	57%	0.57	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.2	118.3	174.4	-174	0	0	0	0	108.8	I304 A308 V582 V593 Y625	I304-V306 HydrophobicContact CG2-CG2 3.88Å; V306-A308 PolarHBondContact O-N 2.8Å; V306-V582 HydrophobicContact CG1-CG2 4.15Å; V306-V593 HydrophobicContact CG2-CG1 3.5Å; V306-V593 HydrophobicContact CG2-CG2 4.31Å; V306-Y625 HydrophobicContact CB-CD2 4.4Å; V306-Y625 HydrophobicContact CB-CE2 4.4Å; V306-Y625 HydrophobicContact CG2-CD2 4.45Å
307	P	45.6	Very low	39.4	Very low	65 Å²	65	108.3 Å²	108.3	42%	0.422	57%	0.574	S	S	.	*			trans	-69	96.9	173.1	25.8	-29.5	0	0	0	109.6
308	A	43.3	Very low	39.8	Very low	19 Å²	19	106 Å²	106	16%	0.157	57%	0.574	C	S	.	*			trans	-92.7	142.9	177.3	0	0	0	0	0	111.6	V306 H313	V306-A308 PolarHBondContact O-N 2.8Å; A308-H313 WeakPolarHBondContact CB-NE2 3.36Å
309	D	42.8	Very low	39.8	Very low	72 Å²	72	106.2 Å²	106.2	39%	0.385	58%	0.58	S	S	.	*			trans	-72.9	128.7	175.5	-170.2	-34.8	0	0	0	110	K311 Y312	D309-K311 PolarHBondContact O-N 2.68Å; D309-K311 WeakPolarHBondContact OD1-CG 3.29Å; D309-K311 PolarHBondContact OD1-N 3.35Å; D309-Y312 HydrophobicContact CB-CD2 4.35Å; D309-Y312 PolarHBondContact O-N 2.86Å
310	P	41.9	Very low	39.4	Very low	81 Å²	81	106.2 Å²	106.2	53%	0.526	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-59.3	-14.8	179.6	20.6	-31.9	0	0	0	114.8	Y312	P310-Y312 PolarHBondContact O-N 3.43Å
311	K	42.6	Very low	39.4	Very low	169 Å²	169	107.4 Å²	107.4	74%	0.735	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-64.8	-19	-178.7	-73.3	176.9	-178.4	174.6	0	115.3	D309	D309-K311 PolarHBondContact O-N 2.68Å; D309-K311 WeakPolarHBondContact OD1-CG 3.29Å; D309-K311 PolarHBondContact OD1-N 3.35Å
312	Y	43.2	Very low	39	Very low	133 Å²	133	105.2 Å²	105.2	52%	0.522	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-111.1	2.9	-171.6	-58.1	-69.4	0	0	0	115.3	D309 P310	D309-Y312 HydrophobicContact CB-CD2 4.35Å; D309-Y312 PolarHBondContact O-N 2.86Å; P310-Y312 PolarHBondContact O-N 3.43Å
313	H	44.3	Very low	38.5	Very low	49 Å²	49	110.4 Å²	110.4	23%	0.227	60%	0.603	C	S	.	*			trans	-111.2	103.8	-177.1	-67.2	-59.3	0	0	0	112.1	A308 Y625	A308-H313 WeakPolarHBondContact CB-NE2 3.36Å; H313-Y625 PolarHBondContact CE1-OH 2.92Å; H313-Y625 PolarHBondContact NE2-OH 3.07Å
314	R	38.2	Very low	37.8	Very low	230 Å²	230	110.1 Å²	110.1	87%	0.868	62%	0.617	S	S	*	*			trans	-92.9	143.1	167.3	-81.7	-170.1	-173.1	180	4.5	111.6
315	R	34.7	Very low	36.6	Very low	250 Å²	250	115.4 Å²	115.4	94%	0.943	65%	0.645	S	S	*	*			trans	-56.9	132.9	177.1	-98.2	-179.9	166.7	-174	-3.2	111.2
316	S	32.5	Very low	35.6	Very low	121 Å²	121	121 Å²	121	85%	0.846	67%	0.667	S	S	*	*			trans	-119.5	115.6	146.9	-86.9	0	0	0	0	108
317	G	32.6	Very low	34.5	Very low	79 Å²	79	127.2 Å²	127.2	81%	0.814	71%	0.705	S	S	*	*			trans	-99.6	121.9	173.1	0	0	0	0	0	109.4
318	S	31.8	Very low	33.6	Very low	115 Å²	115	128.8 Å²	128.8	80%	0.804	72%	0.724	S	S	*	*			trans	-160.1	111.2	160	52.3	0	0	0	0	109.3
319	N	29.9	Very low	32.9	Very low	167 Å²	167	136.8 Å²	136.8	89%	0.893	76%	0.76	S	S	*	*			trans	-76.7	123.7	162.9	-67.3	-32.7	0	0	0	107.8
320	I	29.1	Very low	32.2	Very low	171 Å²	171	140.7 Å²	140.7	88%	0.877	78%	0.781	S	S	*	*			trans	-155.1	122.4	144.3	-116.5	160.8	0	0	0	109.4
321	S	28.9	Very low	31.6	Very low	120 Å²	120	143.8 Å²	143.8	84%	0.839	79%	0.793	S	S	*	*			trans	-79.2	135.8	173.1	46.7	0	0	0	0	110.3
322	G	25.4	Very low	30.9	Very low	74 Å²	74	142.5 Å²	142.5	76%	0.763	79%	0.79	S	S	*	*			trans	-164.5	86.2	169	0	0	0	0	0	110
323	I	26.5	Very low	30.3	Very low	162 Å²	162	141.3 Å²	141.3	83%	0.831	80%	0.801	S	S	*	*			trans	-68.4	130.7	171.6	-81.1	166	0	0	0	108.7
324	S	26.4	Very low	29.5	Very low	117 Å²	117	148.8 Å²	148.8	82%	0.818	83%	0.828	S	S	*	*			trans	-147.9	113.5	157.2	-63.8	0	0	0	0	108
325	N	28.8	Very low	29.1	Very low	154 Å²	154	145.4 Å²	145.4	82%	0.824	83%	0.828	S	S	*	*			trans	-70.3	123.4	172.2	-82.3	-14.3	0	0	0	109.2
326	E	28	Very low	28.8	Very low	187 Å²	187	142.9 Å²	142.9	87%	0.874	83%	0.827	S	S	*	*			trans	-140.1	117.2	151.8	-71.3	-162.2	163.1	0	0	111.2
327	T	28.3	Very low	28.6	Very low	136 Å²	136	145.5 Å²	145.5	83%	0.834	83%	0.828	S	S	*	*			trans	4.5	122.6	154.8	-4.8	0	0	0	0	119.2
328	A	26.3	Very low	28.4	Very low	99 Å²	99	147 Å²	147	82%	0.818	83%	0.825	S	S	*	*			trans	-63.3	137.7	164.5	0	0	0	0	0	111.7
329	M	29.3	Very low	28.2	Very low	186 Å²	186	149.8 Å²	149.8	92%	0.916	83%	0.83	S	S	*	*			trans	-120.6	119.2	156.5	-75.6	-145.3	150.5	0	0	108.7
330	D	28.3	Very low	28.2	Very low	154 Å²	154	146.2 Å²	146.2	82%	0.824	82%	0.824	S	S	*	*			trans	-56.5	133.7	162	-103	-19.6	0	0	0	108.9
331	D	28.1	Very low	28.4	Very low	146 Å²	146	143.3 Å²	143.3	78%	0.781	82%	0.819	S	S	*	*			trans	-125.7	126.9	160.5	-162.5	16.8	0	0	0	109.8
332	Q	29.5	Very low	28.5	Very low	143 Å²	143	144.6 Å²	144.6	67%	0.668	82%	0.817	S	S	*	*			trans	-88.6	153.8	-163.1	-71.1	171.7	-4	0	0	111
333	S	29.1	Very low	28.9	Very low	108 Å²	108	146.1 Å²	146.1	76%	0.755	82%	0.815	S	S	*	*			trans	-46.6	129.3	167.5	50.5	0	0	0	0	113.2
334	Y	28.3	Very low	29.1	Very low	205 Å²	205	147.9 Å²	147.9	80%	0.804	82%	0.82	S	S	*	*			trans	-110.7	105	160.8	-75	-78	0	0	0	109.6
335	D	28.7	Very low	29.3	Very low	160 Å²	160	148 Å²	148	86%	0.856	82%	0.821	S	S	*	*			trans	-72.2	130	156.7	-83	-36.1	0	0	0	108.5
336	E	28.2	Very low	29.5	Very low	197 Å²	197	145.6 Å²	145.6	92%	0.921	82%	0.816	S	S	*	*			trans	-102.3	99.8	175.6	-162.6	175	170	0	0	109.8
337	M	28.8	Very low	29.8	Very low	176 Å²	176	142.4 Å²	142.4	87%	0.867	81%	0.812	S	S	*	*			trans	-87.3	123.9	168.8	-169.8	85.5	164.4	0	0	108.6
338	S	28	Very low	30.2	Very low	110 Å²	110	141.7 Å²	141.7	77%	0.769	81%	0.81	S	S	*	*			trans	-78.4	132.7	179.9	40.7	0	0	0	0	112.2
339	L	29.3	Very low	30.9	Very low	173 Å²	173	144.7 Å²	144.7	91%	0.906	81%	0.811	S	S	*	*			trans	-118.9	134.3	167.3	-75.1	174.2	0	0	0	109.9
340	A	29.9	Very low	31.3	Very low	93 Å²	93	144.2 Å²	144.2	77%	0.769	81%	0.807	S	S	*	*			trans	-90.2	167.8	-171.8	0	0	0	0	0	114.4
341	S	33	Very low	32.4	Very low	109 Å²	109	144.9 Å²	144.9	76%	0.762	81%	0.809	S	S	*	*			trans	85.6	136.6	162.8	74.2	0	0	0	0	117.5
342	N	31.3	Very low	33.7	Very low	148 Å²	148	144.1 Å²	144.1	79%	0.791	80%	0.801	S	S	*	*			cis	-165	132.6	-0.7	-112.7	-6.7	0	0	0	111.5
343	S	32.5	Very low	35.1	Very low	105 Å²	105	142.9 Å²	142.9	73%	0.734	81%	0.805	S	S	*	*			trans	60.1	115.5	130.4	74.2	0	0	0	0	123.9
344	E	30.5	Very low	37.1	Very low	199 Å²	199	142.9 Å²	142.9	93%	0.93	80%	0.8	S	S	*	*				-150.4	135.6	122.7	-112.1	-179.7	-167.2	0	0	110.2
345	S	31.9	Very low	39.7	Very low	119 Å²	119	137.7 Å²	137.7	83%	0.832	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-92.5	126.1	-152.2	49.3	0	0	0	0	114.7
346	S	32.2	Very low	42.5	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-98.8	149	149.6	-61.2	0	0	0	0	108.2
347	P	33.9	Very low	45.7	Very low	119 Å²	119	131.3 Å²	131.3	77%	0.773	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-59.4	138.6	-175.4	25.4	-33.1	0	0	0	110	L349	P347-L349 PolarHBondContact O-N 3.29Å; P347-L349 VanDerWaalsContact O-N 3.13Å
348	P	37.1	Very low	48.9	Very low	122 Å²	122	125.3 Å²	125.3	79%	0.792	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-66.7	118.6	-179.2	15.6	-10.5	0	0	0	108.2	E350	P348-E350 PolarHBondContact O-N 3.15Å; P348-E350 VanDerWaalsContact O-N 3.13Å
349	L	40.3	Very low	52.2	Low	162 Å²	162	125.1 Å²	125.1	85%	0.848	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-53.7	117.6	152.9	-75	160.3	0	0	0	105.3	P347 L351	P347-L349 PolarHBondContact O-N 3.29Å; P347-L349 VanDerWaalsContact O-N 3.13Å; L349-L351 PolarHBondContact O-N 3.27Å
350	E	39	Very low	55.4	Low	176 Å²	176	123.2 Å²	123.2	82%	0.822	69%	0.685	S	S	*	*			trans	-51	105.2	170.9	-78.6	173	148.1	0	0	107.5	P348 E352	P348-E350 PolarHBondContact O-N 3.15Å; P348-E350 VanDerWaalsContact O-N 3.13Å; E350-E352 PolarHBondContact O-N 3.34Å
351	L	51.6	Low	58.5	Low	167 Å²	167	119.4 Å²	119.4	87%	0.874	65%	0.652	S	S	*	*			trans	-68.4	88.8	167.9	-84.4	157.8	0	0	0	105.5	L349	L349-L351 PolarHBondContact O-N 3.27Å
352	E	54.5	Low	61.5	Low	131 Å²	131	117.7 Å²	117.7	61%	0.612	64%	0.638	S	S	*	*			trans	-43.5	121.1	167.8	-79.9	-88	124.6	0	0	108.4	E350 V354 R461	E350-E352 PolarHBondContact O-N 3.34Å; E352-V354 PolarHBondContact O-N 3.26Å; E352-R461 IonicContact OE2-NH1 2.79Å
353	P	58.2	Low	64.5	Low	116 Å²	116	115.7 Å²	115.7	75%	0.753	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-61	131.8	-173.9	20.9	-29.9	0	0	0	110.5	R355	P353-R355 PolarHBondContact O-N 2.98Å
354	V	72.5	Confident	67.1	Low	108 Å²	108	114.1 Å²	114.1	66%	0.655	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-56.5	128.3	173.2	179.7	0	0	0	0	108.5	E352 Q356 E462	E352-V354 PolarHBondContact O-N 3.26Å; V354-Q356 PolarHBondContact O-N 2.74Å; V354-E462 HydrophobicContact CG1-CG 3.71Å
355	R	82.1	Confident	69.6	Low	96 Å²	96	106.1 Å²	106.1	36%	0.362	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-56.1	126.7	-177	178.1	171.7	171.7	174.4	0.2	110.4	P353 R357 E658 P659 E660	P353-R355 PolarHBondContact O-N 2.98Å; R355-R357 PolarHBondContact O-N 3.36Å; R355-E658 IonicContact CZ-OE1 3.84Å; R355-E658 IonicContact NE-OE1 3.02Å; R355-E658 IonicContact NH2-OE1 2.64Å; R355-E658 PolarHBondContact NH2-OE1 2.89Å; R355-P659 PolarHBondContact NH2-O 2.82Å; R355-E660 IonicContact CZ-OE2 3.3Å; R355-E660 IonicContact NH1-OE2 3.98Å; R355-E660 PolarHBondContact NH1-OE2 3.13Å
356	Q	88.7	Confident	71.4	Confident	179 Å²	179	106.3 Å²	106.3	84%	0.836	56%	0.564	S	S	*	*			trans	-74.7	114.6	172.6	-171.2	174	11.1	0	0	109.5	V354	V354-Q356 PolarHBondContact O-N 2.74Å
357	R	94.6	Very high	73	Confident	44 Å²	44	108.2 Å²	108.2	17%	0.166	56%	0.556	C	S	.	*			trans	-84.5	149.4	179.8	-61.2	-65.2	178.7	175.7	-4.8	111.6	R355 E462 T655 E660	R355-R357 PolarHBondContact O-N 3.36Å; R357-E462 IonicContact CZ-OE1 3.68Å; R357-E462 IonicContact NE-OE1 3.95Å; R357-E462 PolarHBondContact NE-OE1 3.25Å; R357-E462 IonicContact NE-OE2 2.65Å; R357-E462 PolarHBondContact NE-OE2 2.86Å; R357-E462 IonicContact NH2-OE1 3.62Å; R357-E462 PolarHBondContact NH2-OE1 3.42Å; R357-E462 IonicContact NH2-OE2 3.45Å; R357-T655 HydrophobicContact CB-CG2 3.66Å; R357-T655 HydrophobicContact CG-CG2 4.25Å; R357-E660 IonicContact CZ-OE2 2.66Å; R357-E660 IonicContact NH1-OE1 3.66Å; R357-E660 PolarHBondContact NH1-OE1 2.91Å; R357-E660 VanDerWaalsContact NH1-OE1 3.09Å; R357-E660 IonicContact NH1-OE2 3.73Å; R357-E660 PolarHBondContact NH1-OE2 2.91Å; R357-E660 IonicContact NH2-OE2 3.23Å
358	R	96	Very high	74.1	Confident	51 Å²	51	113 Å²	113	19%	0.192	56%	0.56	C	S	.	*			trans	-65.7	144.7	178	72.4	-178.5	178.2	168.1	13.8	111.5	L654 N657 E658 E678	R358-L654 PolarHBondContact NE-O 2.84Å; R358-L654 PolarHBondContact NH2-O 2.88Å; R358-N657 VanDerWaalsContact NH2-C 3.33Å; R358-E658 HydrophobicContact CG-CB 4.18Å; R358-E658 HydrophobicContact CG-CG 4.13Å; R358-E658 PolarHBondContact N-OE2 3.1Å; R358-E678 IonicContact CZ-OE1 3.4Å; R358-E678 IonicContact NH1-OE1 2.74Å; R358-E678 PolarHBondContact NH1-OE1 2.94Å; R358-E678 IonicContact NH1-OE2 2.74Å; R358-E678 IonicContact NH2-OE1 3.86Å; R358-E678 PolarHBondContact NH2-OE1 3.36Å
359	T	96.3	Very high	75.2	Confident	106 Å²	106	110.6 Å²	110.6	65%	0.65	54%	0.541	S	S	*	.			trans	-114.5	-1.2	-178.9	56.2	0	0	0	0	113.2	L654	T359-L654 VanDerWaalsContact O-CD1 3.32Å; T359-L654 WeakPolarHBondContact O-CD1 3.37Å
360	R	96.6	Very high	76.3	Confident	133 Å²	133	107.6 Å²	107.6	50%	0.502	53%	0.526	S	S	.	.			trans	-148.9	158.6	178.4	-65.3	-171.2	-172	-92.8	-0.6	110.9	E641 M646	R360-E641 PolarHBondContact NH1-O 3.29Å; R360-E641 IonicContact NH2-OE2 3.73Å; R360-M646 HydrophobicContact CB-SD 3.84Å; R360-M646 HydrophobicContact CG-CE 4.34Å; R360-M646 HydrophobicContact CG-SD 4.03Å
361	I	96.4	Very high	77.6	Confident	13 Å²	13	100.3 Å²	100.3	7%	0.067	49%	0.492	C	S	.	.			trans	-128.1	165.8	168.3	60.4	173.1	0	0	0	108.2	P395 M646 Y647 F649 L654 E678	I361-P395 HydrophobicContact CD1-CG 4.41Å; I361-M646 HydrophobicContact CD1-CB 4.18Å; I361-M646 HydrophobicContact CG1-CB 3.81Å; I361-M646 HydrophobicContact CG1-CG 3.77Å; I361-M646 HydrophobicContact CG1-SD 4.15Å; I361-M646 PolarHBondContact N-SD 3.43Å; I361-Y647 HydrophobicContact CD1-CD2 4.11Å; I361-F649 HydrophobicContact CD1-CD2 3.85Å; I361-F649 HydrophobicContact CD1-CE2 3.88Å; I361-L654 HydrophobicContact CB-CD2 4.42Å; I361-L654 HydrophobicContact CD1-CD2 4.26Å; I361-L654 HydrophobicContact CG1-CD2 3.88Å; I361-L654 HydrophobicContact CG2-CD2 3.94Å; I361-E678 VanDerWaalsContact CG2-OE1 3.25Å; I361-E678 WeakPolarHBondContact CG2-OE1 3.32Å
362	P	95.3	Very high	78.2	Confident	72 Å²	72	96.1 Å²	96.1	47%	0.468	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-54.7	145.8	174.2	-25.6	35.9	0	0	0	112.3	K364	P362-K364 PolarHBondContact O-N 2.78Å
363	D	93.3	Very high	78.8	Confident	107 Å²	107	92.9 Å²	92.9	57%	0.572	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-63.4	135.2	178.7	-75.5	-14.1	0	0	0	111	N645	D363-N645 HydrophobicContact CB-CB 4.25Å; D363-N645 WeakPolarHBondContact OD1-CB 3.45Å
364	K	87.8	Confident	79.2	Confident	72 Å²	72	88.9 Å²	88.9	31%	0.313	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-63.4	134.2	176.8	86.3	-179.2	-174.6	65.1	0	109.5	P362 N645 Y647	P362-K364 PolarHBondContact O-N 2.78Å; K364-N645 WeakPolarHBondContact CB-O 3.25Å; K364-N645 PolarHBondContact N-O 3.15Å; K364-Y647 HydrophobicContact CB-CD2 4.17Å; K364-Y647 HydrophobicContact CB-CE1 4.03Å; K364-Y647 HydrophobicContact CB-CE2 3.54Å; K364-Y647 VanDerWaalsContact CB-CZ 3.47Å; K364-Y647 HydrophobicContact CD-CD1 4.29Å; K364-Y647 HydrophobicContact CD-CE1 4.26Å
365	P	82.4	Confident	78.8	Confident	30 Å²	30	83.9 Å²	83.9	20%	0.195	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-55.2	140.9	171.4	-28.8	34.8	0	0	0	113.2	Y367 W682	P365-Y367 HydrophobicContact CB-CD2 3.54Å; P365-Y367 HydrophobicContact CB-CE2 3.38Å; P365-Y367 HydrophobicContact CG-CE2 4.36Å; P365-Y367 PolarHBondContact O-N 3.05Å; P365-Y367 VanDerWaalsContact O-N 3.09Å; P365-W682 HydrophobicContact CB-CH2 4.34Å; P365-W682 HydrophobicContact CB-CZ2 4.11Å; P365-W682 HydrophobicContact CG-CD2 4.32Å; P365-W682 HydrophobicContact CG-CZ2 3.95Å
366	N	69.9	Low	78.1	Confident	124 Å²	124	84.5 Å²	84.5	66%	0.663	40%	0.403	S	S	*	.			trans	-87.3	71.5	-177.8	-164.4	12.7	0	0	0	111.8
367	Y	66.7	Low	76.8	Confident	144 Å²	144	81.4 Å²	81.4	57%	0.565	39%	0.392	S	S	*	.			trans	-99.7	122.7	172.1	-65.7	-74.3	0	0	0	110.8	P365 L369 W682	P365-Y367 HydrophobicContact CB-CD2 3.54Å; P365-Y367 HydrophobicContact CB-CE2 3.38Å; P365-Y367 HydrophobicContact CG-CE2 4.36Å; P365-Y367 PolarHBondContact O-N 3.05Å; P365-Y367 VanDerWaalsContact O-N 3.09Å; Y367-L369 PolarHBondContact O-N 3.28Å; Y367-W682 AromaticContact CD2-CE3 3.74Å; Y367-W682 HydrophobicContact CD2-CE3 3.74Å; Y367-W682 HydrophobicContact CD2-CH2 4.05Å; Y367-W682 AromaticContact CD2-CZ3 3.43Å; Y367-W682 HydrophobicContact CD2-CZ3 3.43Å; Y367-W682 VanDerWaalsContact CD2-CZ3 3.43Å; Y367-W682 HydrophobicContact CE2-CE3 4.09Å; Y367-W682 HydrophobicContact CE2-CZ3 4.23Å; Y367-W682 HydrophobicContact CG-CZ3 4.18Å
368	Y	56.4	Low	75.2	Confident	219 Å²	219	79.5 Å²	79.5	86%	0.859	39%	0.386	S	S	*	.			trans	-73	119.8	169.1	-74.2	-85.3	0	0	0	109.4
369	L	61.3	Low	73.6	Confident	73 Å²	73	82 Å²	82	38%	0.382	40%	0.402	S	S	.	.			trans	-112.2	127.4	-177.4	-68.6	167.7	0	0	0	110.9	Y367 N391 F392	Y367-L369 PolarHBondContact O-N 3.28Å; L369-N391 VanDerWaalsContact CD1-C 3.4Å; L369-N391 HydrophobicContact CD1-CB 3.58Å; L369-N391 WeakPolarHBondContact CD1-O 3.22Å; L369-N391 HydrophobicContact CD2-CB 3.54Å; L369-N391 HydrophobicContact CG-CB 4.17Å; L369-F392 HydrophobicContact CB-CD1 4.41Å; L369-F392 HydrophobicContact CB-CE1 3.65Å; L369-F392 HydrophobicContact CB-CE2 4.27Å; L369-F392 HydrophobicContact CB-CZ 3.6Å; L369-F392 HydrophobicContact CD1-CD1 4.25Å; L369-F392 HydrophobicContact CD1-CD2 4.41Å; L369-F392 HydrophobicContact CD1-CE1 4.27Å; L369-F392 HydrophobicContact CD1-CE2 4.38Å; L369-F392 HydrophobicContact CD1-CG 4.36Å; L369-F392 HydrophobicContact CD1-CZ 4.36Å; L369-F392 HydrophobicContact CD2-CE2 3.95Å; L369-F392 HydrophobicContact CD2-CZ 4.11Å; L369-F392 HydrophobicContact CG-CE1 4.46Å; L369-F392 HydrophobicContact CG-CE2 4.43Å; L369-F392 HydrophobicContact CG-CZ 4.24Å
370	N	63.7	Low	71.7	Confident	99 Å²	99	80.4 Å²	80.4	53%	0.529	41%	0.407	S	S	.	.			trans	-96.2	94.8	173.2	-172.6	-8.1	0	0	0	110.1	W372 S373	N370-W372 PolarHBondContact O-N 3.05Å; N370-W372 VanDerWaalsContact OD1-CB 3.27Å; N370-W372 WeakPolarHBondContact OD1-CB 3.43Å; N370-W372 PolarHBondContact OD1-N 3.14Å; N370-S373 WeakPolarHBondContact O-CB 3.49Å; N370-S373 PolarHBondContact O-N 2.94Å; N370-S373 VanDerWaalsContact O-N 3.08Å; N370-S373 PolarHBondContact O-OG 3.09Å
371	L	64.7	Low	70.1	Confident	22 Å²	22	80.3 Å²	80.3	12%	0.115	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.5	-179.5	-173.1	62	0	0	0	112.8	S373 I374 M375 M388 F392 I537 L542	L371-S373 VanDerWaalsContact C-N 3.27Å; L371-S373 PolarHBondContact O-N 2.99Å; L371-I374 PolarHBondContact O-N 3.36Å; L371-M375 HydrophobicContact CD1-CG 4.1Å; L371-M375 HydrophobicContact CD1-SD 3.88Å; L371-M375 HydrophobicContact CD2-SD 3.69Å; L371-M375 HydrophobicContact CG-CG 3.98Å; L371-M375 HydrophobicContact CG-SD 3.54Å; L371-M375 VanDerWaalsContact CG-SD 3.54Å; L371-M375 WeakPolarHBondContact O-CB 3.1Å; L371-M375 WeakPolarHBondContact O-CG 3.36Å; L371-M375 PolarHBondContact O-N 3.15Å; L371-M388 HydrophobicContact CD1-CE 3.58Å; L371-F392 HydrophobicContact CB-CE1 3.74Å; L371-F392 HydrophobicContact CB-CZ 4.44Å; L371-F392 HydrophobicContact CD1-CD1 3.54Å; L371-F392 HydrophobicContact CD1-CE1 3.48Å; L371-F392 VanDerWaalsContact CD1-CE1 3.48Å; L371-F392 HydrophobicContact CD1-CG 4.33Å; L371-F392 HydrophobicContact CD1-CZ 4.25Å; L371-F392 HydrophobicContact CG-CE1 4.2Å; L371-I537 HydrophobicContact CD2-CD1 3.55Å; L371-I537 HydrophobicContact CD2-CG2 4.01Å; L371-I537 HydrophobicContact CG-CG2 4.41Å; L371-L542 HydrophobicContact CD2-CD1 3.97Å; L371-L542 HydrophobicContact CD2-CD2 4.16Å
372	W	65.4	Low	68.5	Low	80 Å²	80	83.2 Å²	83.2	30%	0.303	42%	0.423	S	S	.	.	H	α-helix	trans	-61.4	-33.5	177.8	179	-121.9	0	0	0	113.3	N370 I374 M375 K376 I379 F501 I538	N370-W372 PolarHBondContact O-N 3.05Å; N370-W372 VanDerWaalsContact OD1-CB 3.27Å; N370-W372 WeakPolarHBondContact OD1-CB 3.43Å; N370-W372 PolarHBondContact OD1-N 3.14Å; W372-I374 PolarHBondContact O-N 3.24Å; W372-I374 VanDerWaalsContact O-N 3.15Å; W372-M375 PolarHBondContact O-N 2.9Å; W372-K376 HydrophobicContact CD2-CB 4.09Å; W372-K376 HydrophobicContact CE3-CB 4.28Å; W372-K376 HydrophobicContact CH2-CB 4Å; W372-K376 HydrophobicContact CZ2-CB 3.77Å; W372-K376 HydrophobicContact CZ3-CB 4.24Å; W372-K376 WeakPolarHBondContact O-CB 3.44Å; W372-K376 PolarHBondContact O-N 2.81Å; W372-I379 HydrophobicContact CH2-CD1 4.06Å; W372-F501 HydrophobicContact CZ3-CE1 4.49Å; W372-F501 HydrophobicContact CZ3-CZ 4.12Å; W372-I538 HydrophobicContact CD2-CB 4.44Å; W372-I538 HydrophobicContact CD2-CG1 4.44Å; W372-I538 HydrophobicContact CD2-CG2 3.72Å; W372-I538 HydrophobicContact CE3-CB 4.1Å; W372-I538 HydrophobicContact CE3-CD1 4.13Å; W372-I538 HydrophobicContact CE3-CG1 3.64Å; W372-I538 HydrophobicContact CE3-CG2 3.8Å; W372-I538 HydrophobicContact CG-CG2 4.1Å; W372-I538 HydrophobicContact CH2-CD1 4Å; W372-I538 HydrophobicContact CH2-CG1 4.43Å; W372-I538 HydrophobicContact CH2-CG2 4.45Å; W372-I538 HydrophobicContact CZ2-CG2 4.39Å; W372-I538 HydrophobicContact CZ3-CB 4.47Å; W372-I538 HydrophobicContact CZ3-CD1 3.62Å; W372-I538 HydrophobicContact CZ3-CG1 3.64Å; W372-I538 HydrophobicContact CZ3-CG2 4.18Å
373	S	67.3	Low	66.8	Low	62 Å²	62	80.4 Å²	80.4	43%	0.434	40%	0.404	S	S	.	.	H	α-helix	trans	-57.4	-32.2	-179.4	66.5	0	0	0	0	112.6	N370 L371	N370-S373 WeakPolarHBondContact O-CB 3.49Å; N370-S373 PolarHBondContact O-N 2.94Å; N370-S373 VanDerWaalsContact O-N 3.08Å; N370-S373 PolarHBondContact O-OG 3.09Å; L371-S373 VanDerWaalsContact C-N 3.27Å; L371-S373 PolarHBondContact O-N 2.99Å
374	I	65.8	Low	65.2	Low	33 Å²	33	77 Å²	77	17%	0.169	39%	0.389	C	S	.	.	H	α-helix	trans	-90.2	-46.2	176.2	-61.1	158.8	0	0	0	110.1	L371 W372 K376 N377 C378 M388 P389 F392	L371-I374 PolarHBondContact O-N 3.36Å; W372-I374 PolarHBondContact O-N 3.24Å; W372-I374 VanDerWaalsContact O-N 3.15Å; I374-K376 VanDerWaalsContact C-N 3.33Å; I374-K376 PolarHBondContact O-N 3.17Å; I374-N377 PolarHBondContact O-N 2.95Å; I374-C378 PolarHBondContact O-SG 3.22Å; I374-M388 HydrophobicContact CD1-CE 4.28Å; I374-M388 HydrophobicContact CG2-SD 3.89Å; I374-P389 VanDerWaalsContact CD1-CD 3.46Å; I374-P389 HydrophobicContact CD1-CG 3.76Å; I374-F392 HydrophobicContact CD1-CD2 3.62Å; I374-F392 HydrophobicContact CD1-CE2 3.11Å; I374-F392 HydrophobicContact CD1-CZ 3.67Å; I374-F392 HydrophobicContact CG1-CE2 4.49Å
375	M	64.9	Low	63.8	Low	2 Å²	2	80.6 Å²	80.6	1%	0.01	40%	0.404	C	S	.	.	H	α-helix	trans	-72.7	-20	-170.1	-69.6	-162.9	61.9	0	0	114.9	L371 W372 N377 C378 L383 F501 I537	L371-M375 HydrophobicContact CD1-CG 4.1Å; L371-M375 HydrophobicContact CD1-SD 3.88Å; L371-M375 HydrophobicContact CD2-SD 3.69Å; L371-M375 HydrophobicContact CG-CG 3.98Å; L371-M375 HydrophobicContact CG-SD 3.54Å; L371-M375 VanDerWaalsContact CG-SD 3.54Å; L371-M375 WeakPolarHBondContact O-CB 3.1Å; L371-M375 WeakPolarHBondContact O-CG 3.36Å; L371-M375 PolarHBondContact O-N 3.15Å; W372-M375 PolarHBondContact O-N 2.9Å; M375-N377 PolarHBondContact O-N 2.74Å; M375-N377 VanDerWaalsContact O-N 3.17Å; M375-C378 WeakPolarHBondContact O-CA 3.5Å; M375-C378 VanDerWaalsContact O-CB 3.28Å; M375-C378 WeakPolarHBondContact O-CB 3.46Å; M375-C378 PolarHBondContact O-N 2.67Å; M375-L383 HydrophobicContact CE-CD1 3.94Å; M375-L383 HydrophobicContact CE-CD2 4.03Å; M375-F501 HydrophobicContact CE-CB 4.32Å; M375-F501 HydrophobicContact CE-CD2 3.22Å; M375-F501 HydrophobicContact CE-CE2 3.51Å; M375-F501 HydrophobicContact CE-CG 3.82Å; M375-F501 HydrophobicContact CE-CZ 4.31Å; M375-I537 HydrophobicContact CB-CG2 4.32Å; M375-I537 HydrophobicContact CE-CG2 3.47Å; M375-I537 VanDerWaalsContact CE-CG2 3.47Å; M375-I537 HydrophobicContact CG-CG2 4.32Å; M375-I537 HydrophobicContact SD-CD1 4.28Å; M375-I537 HydrophobicContact SD-CG2 3.17Å; M375-I537 WeakPolarHBondContact SD-CG2 3.06Å
376	K	66.9	Low	62.9	Low	110 Å²	110	80.6 Å²	80.6	48%	0.478	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.4	176.2	70.8	179	-176.4	177.8	0	113.8	W372 I374 C378 I379	W372-K376 HydrophobicContact CD2-CB 4.09Å; W372-K376 HydrophobicContact CE3-CB 4.28Å; W372-K376 HydrophobicContact CH2-CB 4Å; W372-K376 HydrophobicContact CZ2-CB 3.77Å; W372-K376 HydrophobicContact CZ3-CB 4.24Å; W372-K376 WeakPolarHBondContact O-CB 3.44Å; W372-K376 PolarHBondContact O-N 2.81Å; I374-K376 VanDerWaalsContact C-N 3.33Å; I374-K376 PolarHBondContact O-N 3.17Å; K376-C378 VanDerWaalsContact C-N 3.33Å; K376-I379 WeakPolarHBondContact O-CG1 3.37Å
377	N	61.5	Low	62.5	Low	114 Å²	114	79.3 Å²	79.3	61%	0.61	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-2.7	178.7	-65.3	-23	0	0	0	112.7	I374 M375	I374-N377 PolarHBondContact O-N 2.95Å; M375-N377 PolarHBondContact O-N 2.74Å; M375-N377 VanDerWaalsContact O-N 3.17Å
378	C	60.2	Low	62.5	Low	3 Å²	3	73.3 Å²	73.3	2%	0.02	38%	0.378	C	S	.	.			trans	-102.6	2.7	-172.5	-52.5	0	0	0	0	112.8	I374 M375 K376 G380 K381 L383 I386	I374-C378 PolarHBondContact O-SG 3.22Å; M375-C378 WeakPolarHBondContact O-CA 3.5Å; M375-C378 VanDerWaalsContact O-CB 3.28Å; M375-C378 WeakPolarHBondContact O-CB 3.46Å; M375-C378 PolarHBondContact O-N 2.67Å; K376-C378 VanDerWaalsContact C-N 3.33Å; C378-G380 PolarHBondContact O-N 2.71Å; C378-K381 PolarHBondContact O-N 2.74Å; C378-L383 HydrophobicContact CB-CD2 4.27Å; C378-I386 HydrophobicContact CB-CD1 3.45Å; C378-I386 VanDerWaalsContact CB-CD1 3.45Å; C378-I386 WeakPolarHBondContact SG-CD1 3.42Å
379	I	61.8	Low	63.1	Low	103 Å²	103	65.1 Å²	65.1	53%	0.528	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	122.3	-174.7	-48.6	-170.5	0	0	0	110.3	W372 K376 K381 F501	W372-I379 HydrophobicContact CH2-CD1 4.06Å; K376-I379 WeakPolarHBondContact O-CG1 3.37Å; I379-K381 VanDerWaalsContact C-N 3.26Å; I379-K381 PolarHBondContact O-N 3.08Å; I379-F501 HydrophobicContact CB-CD1 4.41Å; I379-F501 HydrophobicContact CB-CE1 4.46Å; I379-F501 HydrophobicContact CD1-CE1 4.35Å; I379-F501 HydrophobicContact CG1-CD1 4.2Å; I379-F501 HydrophobicContact CG1-CE1 3.81Å; I379-F501 HydrophobicContact CG2-CD1 4.42Å; I379-F501 HydrophobicContact CG2-CE1 4.49Å
380	G	57.1	Low	63.8	Low	74 Å²	74	61.7 Å²	61.7	76%	0.763	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	0.6	-178.7	0	0	0	0	0	115.4	C378	C378-G380 PolarHBondContact O-N 2.71Å
381	K	63.3	Low	64.3	Low	131 Å²	131	59 Å²	59	57%	0.57	32%	0.32	S	S	*	.	S	Bend	trans	-98.8	157.6	176.9	-65	-179.2	-179.7	173.4	0	111.8	C378 I379 L383 I386	C378-K381 PolarHBondContact O-N 2.74Å; I379-K381 VanDerWaalsContact C-N 3.26Å; I379-K381 PolarHBondContact O-N 3.08Å; K381-L383 PolarHBondContact O-N 2.99Å; K381-I386 HydrophobicContact CB-CD1 4.2Å
382	E	62.6	Low	65	Low	73 Å²	73	59.3 Å²	59.3	34%	0.341	32%	0.32	S	S	.	.			trans	-73.3	119.1	171	-158.8	-167.7	159.5	0	0	109.7	S384 K385	E382-S384 VanDerWaalsContact C-N 3.28Å; E382-S384 VanDerWaalsContact CG-OG 3.31Å; E382-S384 WeakPolarHBondContact CG-OG 3.35Å; E382-S384 PolarHBondContact O-N 3.48Å; E382-S384 PolarHBondContact OE1-OG 3.03Å; E382-K385 PolarHBondContact O-N 3.12Å; E382-K385 WeakPolarHBondContact OE2-CE 3.48Å; E382-K385 IonicContact OE2-NZ 3.4Å; E382-K385 PolarHBondContact OE2-NZ 3.19Å
383	L	60.5	Low	66.2	Low	13 Å²	13	55.7 Å²	55.7	7%	0.068	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-70.6	-21.2	-173.4	-87.7	148.2	0	0	0	114.1	M375 C378 K381 K385 I386 F501 L506	M375-L383 HydrophobicContact CE-CD1 3.94Å; M375-L383 HydrophobicContact CE-CD2 4.03Å; C378-L383 HydrophobicContact CB-CD2 4.27Å; K381-L383 PolarHBondContact O-N 2.99Å; L383-K385 PolarHBondContact O-N 3.16Å; L383-I386 PolarHBondContact O-N 2.7Å; L383-I386 VanDerWaalsContact O-N 3.16Å; L383-F501 HydrophobicContact CD1-CB 4.09Å; L383-L506 HydrophobicContact CD1-CD1 3.14Å; L383-L506 HydrophobicContact CD1-CD2 3.86Å; L383-L506 HydrophobicContact CD1-CG 4.1Å
384	S	59.1	Low	67.4	Low	36 Å²	36	52.9 Å²	52.9	25%	0.252	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-57.8	-29.9	175.5	56	0	0	0	0	112.4	E382	E382-S384 VanDerWaalsContact C-N 3.28Å; E382-S384 VanDerWaalsContact CG-OG 3.31Å; E382-S384 WeakPolarHBondContact CG-OG 3.35Å; E382-S384 PolarHBondContact O-N 3.48Å; E382-S384 PolarHBondContact OE1-OG 3.03Å
385	K	58.7	Low	68.9	Low	147 Å²	147	51.3 Å²	51.3	64%	0.639	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-88.4	1.2	-178.3	-68.1	173.5	175.3	142.8	0	114.1	E382 L383	E382-K385 PolarHBondContact O-N 3.12Å; E382-K385 WeakPolarHBondContact OE2-CE 3.48Å; E382-K385 IonicContact OE2-NZ 3.4Å; E382-K385 PolarHBondContact OE2-NZ 3.19Å; L383-K385 PolarHBondContact O-N 3.16Å
386	I	62.5	Low	70.4	Confident	31 Å²	31	51.2 Å²	51.2	16%	0.159	28%	0.278	C	S	.	.	S	Bend	trans	-109.3	118	-175.1	-54.3	-178.8	0	0	0	108.4	C378 K381 L383 M388	C378-I386 HydrophobicContact CB-CD1 3.45Å; C378-I386 VanDerWaalsContact CB-CD1 3.45Å; C378-I386 WeakPolarHBondContact SG-CD1 3.42Å; K381-I386 HydrophobicContact CB-CD1 4.2Å; L383-I386 PolarHBondContact O-N 2.7Å; L383-I386 VanDerWaalsContact O-N 3.16Å; I386-M388 PolarHBondContact O-N 2.95Å; I386-M388 VanDerWaalsContact O-N 3.14Å
387	P	61.3	Low	71.9	Confident	97 Å²	97	46 Å²	46	63%	0.63	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-65.8	117.1	179.7	25.3	-31.4	0	0	0	109.3
388	M	67.9	Low	73.5	Confident	17 Å²	17	42 Å²	42	8%	0.084	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-87.7	133	172.7	-66.8	-63.2	-65.5	0	0	108.6	L371 I374 I386 F392 K445 K689	L371-M388 HydrophobicContact CD1-CE 3.58Å; I374-M388 HydrophobicContact CD1-CE 4.28Å; I374-M388 HydrophobicContact CG2-SD 3.89Å; I386-M388 PolarHBondContact O-N 2.95Å; I386-M388 VanDerWaalsContact O-N 3.14Å; M388-F392 HydrophobicContact CE-CB 3.8Å; M388-F392 HydrophobicContact CE-CD1 4.23Å; M388-F392 HydrophobicContact CE-CD2 4.15Å; M388-F392 HydrophobicContact CE-CG 3.78Å; M388-K445 HydrophobicContact CB-CD 4.29Å; M388-K445 HydrophobicContact CG-CD 3.88Å; M388-K689 PolarHBondContact O-NZ 3.46Å
389	P	67.7	Low	75.3	Confident	48 Å²	48	41.9 Å²	41.9	31%	0.312	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-57.6	146.2	170.2	-22.7	34.1	0	0	0	110.9	I374 N391 F392 N393	I374-P389 VanDerWaalsContact CD1-CD 3.46Å; I374-P389 HydrophobicContact CD1-CG 3.76Å; P389-N391 PolarHBondContact O-N 3.49Å; P389-F392 HydrophobicContact CB-CD2 4.29Å; P389-F392 HydrophobicContact CG-CD2 4.32Å; P389-F392 HydrophobicContact CG-CE2 4.5Å; P389-F392 PolarHBondContact O-N 2.91Å; P389-N393 PolarHBondContact O-OD1 3.12Å
390	V	76.5	Confident	77.1	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-55.5	-25.6	-179.2	171.1	0	0	0	0	112.1	F392 N393 F447 M677 A685 N686 K689	V390-F392 PolarHBondContact O-N 2.95Å; V390-F392 VanDerWaalsContact O-N 3.12Å; V390-N393 WeakPolarHBondContact O-CA 3.26Å; V390-N393 VanDerWaalsContact O-CB 3.26Å; V390-N393 WeakPolarHBondContact O-CB 3.46Å; V390-N393 PolarHBondContact O-N 2.93Å; V390-F447 HydrophobicContact CG1-CZ 4.11Å; V390-F447 HydrophobicContact CG2-CE1 4.3Å; V390-F447 HydrophobicContact CG2-CZ 4.37Å; V390-M677 HydrophobicContact CG1-CB 3.91Å; V390-M677 HydrophobicContact CG1-CE 4.19Å; V390-M677 HydrophobicContact CG1-CG 3.66Å; V390-M677 HydrophobicContact CG1-SD 3.45Å; V390-M677 WeakPolarHBondContact CG1-SD 3.37Å; V390-M677 VanDerWaalsContact O-CE 3.23Å; V390-M677 WeakPolarHBondContact O-CE 3.39Å; V390-A685 HydrophobicContact CG1-CB 4.08Å; V390-N686 VanDerWaalsContact CB-OD1 3.27Å; V390-N686 WeakPolarHBondContact CB-OD1 3.49Å; V390-N686 HydrophobicContact CG2-CB 4.46Å; V390-N686 WeakPolarHBondContact CG2-OD1 3.35Å; V390-N686 PolarHBondContact N-OD1 3.22Å; V390-N686 VanDerWaalsContact N-OD1 3.1Å; V390-K689 HydrophobicContact CG2-CB 4.41Å; V390-K689 HydrophobicContact CG2-CD 3.61Å
391	N	75	Confident	79	Confident	43 Å²	43	34.8 Å²	34.8	23%	0.23	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-59.4	-27.9	178	-49.7	51.8	0	0	0	113	L369 P389 N393 W682	L369-N391 VanDerWaalsContact CD1-C 3.4Å; L369-N391 HydrophobicContact CD1-CB 3.58Å; L369-N391 WeakPolarHBondContact CD1-O 3.22Å; L369-N391 HydrophobicContact CD2-CB 3.54Å; L369-N391 HydrophobicContact CG-CB 4.17Å; P389-N391 PolarHBondContact O-N 3.49Å; N391-N393 VanDerWaalsContact C-N 3.32Å; N391-W682 HydrophobicContact CB-CE3 3.91Å; N391-W682 HydrophobicContact CB-CH2 4.48Å; N391-W682 HydrophobicContact CB-CZ3 3.58Å; N391-W682 VanDerWaalsContact ND2-CE3 3.34Å; N391-W682 WeakPolarHBondContact ND2-CZ3 3.4Å
392	F	79.9	Confident	80.5	Confident	28 Å²	28	28.7 Å²	28.7	12%	0.123	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-88.6	-2.6	176	-69.3	-85.4	0	0	0	113.3	L369 L371 I374 M388 P389 V390 G444 K445	L369-F392 HydrophobicContact CB-CD1 4.41Å; L369-F392 HydrophobicContact CB-CE1 3.65Å; L369-F392 HydrophobicContact CB-CE2 4.27Å; L369-F392 HydrophobicContact CB-CZ 3.6Å; L369-F392 HydrophobicContact CD1-CD1 4.25Å; L369-F392 HydrophobicContact CD1-CD2 4.41Å; L369-F392 HydrophobicContact CD1-CE1 4.27Å; L369-F392 HydrophobicContact CD1-CE2 4.38Å; L369-F392 HydrophobicContact CD1-CG 4.36Å; L369-F392 HydrophobicContact CD1-CZ 4.36Å; L369-F392 HydrophobicContact CD2-CE2 3.95Å; L369-F392 HydrophobicContact CD2-CZ 4.11Å; L369-F392 HydrophobicContact CG-CE1 4.46Å; L369-F392 HydrophobicContact CG-CE2 4.43Å; L369-F392 HydrophobicContact CG-CZ 4.24Å; L371-F392 HydrophobicContact CB-CE1 3.74Å; L371-F392 HydrophobicContact CB-CZ 4.44Å; L371-F392 HydrophobicContact CD1-CD1 3.54Å; L371-F392 HydrophobicContact CD1-CE1 3.48Å; L371-F392 VanDerWaalsContact CD1-CE1 3.48Å; L371-F392 HydrophobicContact CD1-CG 4.33Å; L371-F392 HydrophobicContact CD1-CZ 4.25Å; L371-F392 HydrophobicContact CG-CE1 4.2Å; I374-F392 HydrophobicContact CD1-CD2 3.62Å; I374-F392 HydrophobicContact CD1-CE2 3.11Å; I374-F392 HydrophobicContact CD1-CZ 3.67Å; I374-F392 HydrophobicContact CG1-CE2 4.49Å; M388-F392 HydrophobicContact CE-CB 3.8Å; M388-F392 HydrophobicContact CE-CD1 4.23Å; M388-F392 HydrophobicContact CE-CD2 4.15Å; M388-F392 HydrophobicContact CE-CG 3.78Å; P389-F392 HydrophobicContact CB-CD2 4.29Å; P389-F392 HydrophobicContact CG-CD2 4.32Å; P389-F392 HydrophobicContact CG-CE2 4.5Å; P389-F392 PolarHBondContact O-N 2.91Å; V390-F392 PolarHBondContact O-N 2.95Å; V390-F392 VanDerWaalsContact O-N 3.12Å; F392-G444 WeakPolarHBondContact O-CA 3.48Å; F392-K445 PolarHBondContact O-N 3.48Å
393	N	88.9	Confident	82.2	Confident	5 Å²	5	25.2 Å²	25.2	3%	0.027	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	173.2	178	-76.2	64.7	0	0	0	111.4	P389 V390 N391 K445 F447 M677	P389-N393 PolarHBondContact O-OD1 3.12Å; V390-N393 WeakPolarHBondContact O-CA 3.26Å; V390-N393 VanDerWaalsContact O-CB 3.26Å; V390-N393 WeakPolarHBondContact O-CB 3.46Å; V390-N393 PolarHBondContact O-N 2.93Å; N391-N393 VanDerWaalsContact C-N 3.32Å; N393-K445 CarbonylContact C-O 3.55Å; N393-K445 WeakPolarHBondContact CA-O 3.4Å; N393-K445 VanDerWaalsContact CB-O 3.31Å; N393-K445 WeakPolarHBondContact CB-O 3.45Å; N393-K445 VanDerWaalsContact CG-O 3.29Å; N393-K445 PolarHBondContact ND2-O 3.14Å; N393-K445 VanDerWaalsContact ND2-O 3.08Å; N393-F447 HydrophobicContact CB-CD2 4.3Å; N393-F447 HydrophobicContact CB-CE2 3.9Å; N393-F447 HydrophobicContact CB-CZ 4.24Å; N393-M677 HydrophobicContact CB-CE 3.93Å; N393-M677 HydrophobicContact CB-SD 3.73Å; N393-M677 WeakPolarHBondContact O-CE 3.28Å
394	E	93.4	Very high	84	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155.4	160.2	60.5	-168.5	-168.8	0	0	107.6	L396 R401 R442 K445 P446 F447 Y647 F649	E394-L396 PolarHBondContact O-N 2.99Å; E394-R401 IonicContact OE1-CZ 2.88Å; E394-R401 IonicContact OE1-NE 3.41Å; E394-R401 PolarHBondContact OE1-NE 3.05Å; E394-R401 IonicContact OE1-NH2 3.04Å; E394-R401 PolarHBondContact OE1-NH2 2.86Å; E394-R401 IonicContact OE2-CZ 2.96Å; E394-R401 IonicContact OE2-NH2 3.88Å; E394-R401 PolarHBondContact OE2-NH2 3.48Å; E394-R442 IonicContact OE1-CZ 3.92Å; E394-R442 IonicContact OE1-NH2 2.67Å; E394-R442 PolarHBondContact OE1-NH2 2.88Å; E394-R442 IonicContact OE2-CZ 2.81Å; E394-R442 VanDerWaalsContact OE2-CZ 3.23Å; E394-R442 IonicContact OE2-NE 3.57Å; E394-R442 PolarHBondContact OE2-NE 3.15Å; E394-R442 VanDerWaalsContact OE2-NE 3.1Å; E394-R442 IonicContact OE2-NH2 2.81Å; E394-R442 PolarHBondContact OE2-NH2 2.83Å; E394-K445 PolarHBondContact N-O 3.07Å; E394-K445 VanDerWaalsContact N-O 3.17Å; E394-P446 HydrophobicContact CG-CB 4.42Å; E394-F447 VanDerWaalsContact O-CD2 3.29Å; E394-F447 WeakPolarHBondContact O-CD2 3.44Å; E394-F447 WeakPolarHBondContact O-CE2 3.43Å; E394-Y647 HydrophobicContact CB-CD1 4.09Å; E394-F649 HydrophobicContact CB-CE1 4.19Å; E394-F649 HydrophobicContact CB-CZ 4.25Å
395	P	96.2	Very high	85.8	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	41.6	-175.3	32.1	-37.1	0	0	0	113.6	I361 Y647 F649 Q674 M677 E678	I361-P395 HydrophobicContact CD1-CG 4.41Å; P395-Y647 HydrophobicContact CG-CD2 3.95Å; P395-Y647 HydrophobicContact CG-CE2 3.79Å; P395-F649 HydrophobicContact CG-CE2 3.94Å; P395-F649 HydrophobicContact CG-CZ 3.86Å; P395-Q674 PolarHBondContact O-NE2 3.17Å; P395-M677 HydrophobicContact CB-CG 4.48Å; P395-E678 HydrophobicContact CB-CB 3.65Å; P395-E678 HydrophobicContact CB-CG 3.93Å; P395-E678 HydrophobicContact CG-CB 4.35Å; P395-E678 HydrophobicContact CG-CG 4.16Å
396	L	97.9	Very high	87.7	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.4	173	-68.5	178.1	0	0	0	110.6	E394 Q400 P446 F447 F649 A653 L656 N657	E394-L396 PolarHBondContact O-N 2.99Å; L396-Q400 HydrophobicContact CB-CB 4.22Å; L396-Q400 HydrophobicContact CD2-CB 4.04Å; L396-Q400 HydrophobicContact CD2-CG 4.36Å; L396-P446 CarbonylContact O-C 3.59Å; L396-P446 WeakPolarHBondContact O-CA 3.25Å; L396-P446 VanDerWaalsContact O-CB 3.31Å; L396-P446 WeakPolarHBondContact O-CB 3.34Å; L396-F447 PolarHBondContact O-N 3.43Å; L396-F649 HydrophobicContact CD1-CD2 4.45Å; L396-F649 HydrophobicContact CD1-CE1 3.97Å; L396-F649 HydrophobicContact CD1-CE2 3.87Å; L396-F649 HydrophobicContact CD1-CZ 3.59Å; L396-F649 HydrophobicContact CG-CE1 4.42Å; L396-F649 HydrophobicContact CG-CE2 3.89Å; L396-F649 HydrophobicContact CG-CZ 3.63Å; L396-A653 HydrophobicContact CD1-CB 4.23Å; L396-L656 HydrophobicContact CD1-CD1 4.34Å; L396-L656 HydrophobicContact CD2-CB 3.89Å; L396-N657 HydrophobicContact CD2-CB 3.92Å
397	S	97.3	Very high	89.3	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	162.5	169.9	81.3	0	0	0	0	110.8	L399 Q400 R401 S668	S397-L399 PolarHBondContact O-N 2.83Å; S397-L399 PolarHBondContact OG-N 2.65Å; S397-Q400 PolarHBondContact O-N 3.13Å; S397-Q400 PolarHBondContact OG-N 2.96Å; S397-R401 PolarHBondContact O-N 2.93Å; S397-S668 PolarHBondContact OG-OG 2.92Å
398	M	95.9	Very high	91.1	Very high	31 Å²	31	11.6 Å²	11.6	15%	0.153	6%	0.059	C	C	.	.	H	α-helix	trans	-62.6	-27.2	173.3	-171.4	58.9	-140.3	0	0	112.2	R401 L402 P446 F447 P449 L497	M398-R401 HydrophobicContact CE-CB 4.24Å; M398-R401 HydrophobicContact CE-CG 4.04Å; M398-R401 PolarHBondContact O-N 2.77Å; M398-R401 HydrophobicContact SD-CB 4.09Å; M398-R401 HydrophobicContact SD-CG 4.11Å; M398-L402 WeakPolarHBondContact O-CB 3.5Å; M398-L402 PolarHBondContact O-N 2.93Å; M398-P446 HydrophobicContact CB-CG 4.49Å; M398-P446 HydrophobicContact SD-CG 3.77Å; M398-F447 PolarHBondContact N-O 3.2Å; M398-P449 HydrophobicContact CB-CG 3.74Å; M398-L497 HydrophobicContact CE-CD1 3.84Å; M398-L497 HydrophobicContact CG-CD1 4.18Å; M398-L497 HydrophobicContact SD-CD1 3.57Å; M398-L497 VanDerWaalsContact SD-CD1 3.57Å
399	L	98.4	Very high	92.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-68.2	-40.2	176.3	-52.5	-176.3	0	0	0	111.4	S397 L402 S403 P449 E453 F455 C469 Q471 A479	S397-L399 PolarHBondContact O-N 2.83Å; S397-L399 PolarHBondContact OG-N 2.65Å; L399-L402 PolarHBondContact O-N 3.14Å; L399-S403 PolarHBondContact O-N 2.82Å; L399-S403 PolarHBondContact O-OG 2.99Å; L399-P449 HydrophobicContact CD1-CB 4.14Å; L399-P449 HydrophobicContact CD1-CG 4.41Å; L399-P449 HydrophobicContact CD2-CB 4.22Å; L399-P449 HydrophobicContact CD2-CG 3.85Å; L399-P449 HydrophobicContact CG-CB 3.88Å; L399-P449 HydrophobicContact CG-CG 3.62Å; L399-E453 HydrophobicContact CD1-CB 4.26Å; L399-E453 HydrophobicContact CD1-CG 4.2Å; L399-E453 VanDerWaalsContact CD1-O 3.25Å; L399-E453 WeakPolarHBondContact CD1-O 3.25Å; L399-F455 HydrophobicContact CB-CB 3.68Å; L399-F455 HydrophobicContact CD1-CB 4.24Å; L399-C469 HydrophobicContact CB-CB 3.82Å; L399-C469 HydrophobicContact CD1-CB 4.46Å; L399-C469 HydrophobicContact CD2-CB 4.15Å; L399-C469 HydrophobicContact CG-CB 4.34Å; L399-Q471 HydrophobicContact CD2-CB 4.44Å; L399-A479 HydrophobicContact CD2-CB 3.6Å
400	Q	98.6	Very high	94	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-65.6	-45.7	172.2	-74.9	165.7	-35	0	0	111	L396 S397 L402 S403 E404 F455 L656 N657	L396-Q400 HydrophobicContact CB-CB 4.22Å; L396-Q400 HydrophobicContact CD2-CB 4.04Å; L396-Q400 HydrophobicContact CD2-CG 4.36Å; S397-Q400 PolarHBondContact O-N 3.13Å; S397-Q400 PolarHBondContact OG-N 2.96Å; Q400-L402 PolarHBondContact O-N 3.22Å; Q400-S403 WeakPolarHBondContact O-CA 3.5Å; Q400-S403 WeakPolarHBondContact O-CB 3.22Å; Q400-S403 PolarHBondContact O-N 2.89Å; Q400-E404 PolarHBondContact O-N 2.98Å; Q400-F455 HydrophobicContact CB-CD1 4.49Å; Q400-F455 HydrophobicContact CB-CE1 4.4Å; Q400-F455 HydrophobicContact CG-CD1 3.85Å; Q400-F455 HydrophobicContact CG-CD2 3.46Å; Q400-F455 VanDerWaalsContact CG-CD2 3.46Å; Q400-F455 HydrophobicContact CG-CE1 3.82Å; Q400-F455 HydrophobicContact CG-CE2 3.43Å; Q400-F455 VanDerWaalsContact CG-CE2 3.43Å; Q400-F455 HydrophobicContact CG-CG 3.67Å; Q400-F455 HydrophobicContact CG-CZ 3.62Å; Q400-L656 HydrophobicContact CB-CB 4.31Å; Q400-L656 HydrophobicContact CB-CD1 4.16Å; Q400-L656 HydrophobicContact CG-CB 4.25Å; Q400-L656 PolarHBondContact NE2-O 3.08Å; Q400-L656 WeakPolarHBondContact O-CD1 3.35Å; Q400-N657 PolarHBondContact NE2-OD1 2.89Å
401	R	96.6	Very high	95.1	Very high	29 Å²	29	13.9 Å²	13.9	11%	0.109	6%	0.064	C	C	.	.	H	α-helix	trans	-58.1	-36.2	176	-179.4	64.8	84.3	134.2	17.2	112.5	E394 S397 M398 S403 E404 R442 P446	E394-R401 IonicContact OE1-CZ 2.88Å; E394-R401 IonicContact OE1-NE 3.41Å; E394-R401 PolarHBondContact OE1-NE 3.05Å; E394-R401 IonicContact OE1-NH2 3.04Å; E394-R401 PolarHBondContact OE1-NH2 2.86Å; E394-R401 IonicContact OE2-CZ 2.96Å; E394-R401 IonicContact OE2-NH2 3.88Å; E394-R401 PolarHBondContact OE2-NH2 3.48Å; S397-R401 PolarHBondContact O-N 2.93Å; M398-R401 HydrophobicContact CE-CB 4.24Å; M398-R401 HydrophobicContact CE-CG 4.04Å; M398-R401 PolarHBondContact O-N 2.77Å; M398-R401 HydrophobicContact SD-CB 4.09Å; M398-R401 HydrophobicContact SD-CG 4.11Å; R401-S403 VanDerWaalsContact C-N 3.32Å; R401-E404 WeakPolarHBondContact CD-OE1 3.23Å; R401-E404 IonicContact NE-OE1 3.67Å; R401-E404 WeakPolarHBondContact O-CB 3.27Å; R401-E404 PolarHBondContact O-N 3.35Å; R401-R442 VanDerWaalsContact CZ-NH2 3.25Å; R401-R442 VanDerWaalsContact NH1-CZ 3.32Å; R401-R442 VanDerWaalsContact NH2-CZ 3.26Å; R401-P446 HydrophobicContact CB-CB 4.33Å; R401-P446 HydrophobicContact CB-CG 4.4Å; R401-P446 HydrophobicContact CG-CG 4.44Å
402	L	96.3	Very high	96.2	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-67.5	-34.2	175.5	-173.2	57.2	0	0	0	112.3	M398 L399 Q400 E404 D405 A479 H481 I495	M398-L402 WeakPolarHBondContact O-CB 3.5Å; M398-L402 PolarHBondContact O-N 2.93Å; L399-L402 PolarHBondContact O-N 3.14Å; Q400-L402 PolarHBondContact O-N 3.22Å; L402-E404 VanDerWaalsContact C-N 3.25Å; L402-E404 PolarHBondContact O-N 3.45Å; L402-D405 WeakPolarHBondContact O-CB 3.45Å; L402-D405 PolarHBondContact O-N 2.93Å; L402-A479 HydrophobicContact CD2-CB 4.18Å; L402-H481 HydrophobicContact CD2-CB 3.56Å; L402-H481 HydrophobicContact CG-CB 4.11Å; L402-I495 HydrophobicContact CD1-CD1 4.39Å; L402-I495 HydrophobicContact CD1-CG2 3.93Å; L402-I495 HydrophobicContact CD2-CG2 3.75Å; L402-I495 HydrophobicContact CG-CG2 4.48Å
403	S	97.8	Very high	97.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-72.5	-17.8	178.3	-53.3	0	0	0	0	112.9	L399 Q400 R401 D405 L406 F455	L399-S403 PolarHBondContact O-N 2.82Å; L399-S403 PolarHBondContact O-OG 2.99Å; Q400-S403 WeakPolarHBondContact O-CA 3.5Å; Q400-S403 WeakPolarHBondContact O-CB 3.22Å; Q400-S403 PolarHBondContact O-N 2.89Å; R401-S403 VanDerWaalsContact C-N 3.32Å; S403-D405 PolarHBondContact O-N 3.15Å; S403-L406 WeakPolarHBondContact O-CB 3.43Å; S403-L406 PolarHBondContact O-N 2.79Å; S403-F455 VanDerWaalsContact OG-CD1 3.28Å; S403-F455 WeakPolarHBondContact OG-CD1 3.28Å; S403-F455 WeakPolarHBondContact OG-CE1 3.47Å
404	E	97.8	Very high	97.5	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.009	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-65	-14	171.4	-66	180	-119.7	0	0	113.3	Q400 R401 L402 L406 E407 R442 L656	Q400-E404 PolarHBondContact O-N 2.98Å; R401-E404 WeakPolarHBondContact CD-OE1 3.23Å; R401-E404 IonicContact NE-OE1 3.67Å; R401-E404 WeakPolarHBondContact O-CB 3.27Å; R401-E404 PolarHBondContact O-N 3.35Å; L402-E404 VanDerWaalsContact C-N 3.25Å; L402-E404 PolarHBondContact O-N 3.45Å; E404-L406 PolarHBondContact O-N 3.31Å; E404-L406 VanDerWaalsContact O-N 3.08Å; E404-E407 WeakPolarHBondContact O-CB 3.04Å; E404-E407 PolarHBondContact O-N 3.33Å; E404-R442 IonicContact OE1-CZ 2.62Å; E404-R442 IonicContact OE1-NH1 2.82Å; E404-R442 PolarHBondContact OE1-NH1 2.89Å; E404-R442 IonicContact OE1-NH2 3.42Å; E404-R442 IonicContact OE2-NH1 2.71Å; E404-R442 PolarHBondContact OE2-NH1 3.43Å; E404-L656 HydrophobicContact CG-CD1 3.55Å
405	D	96.9	Very high	97.8	Very high	10 Å²	10	15.5 Å²	15.5	5%	0.053	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-55.5	-24.2	167.9	-75	-9.5	0	0	0	111.6	L402 S403 F431 S435 Q493 K529	L402-D405 WeakPolarHBondContact O-CB 3.45Å; L402-D405 PolarHBondContact O-N 2.93Å; S403-D405 PolarHBondContact O-N 3.15Å; D405-F431 WeakPolarHBondContact O-CE2 3.47Å; D405-F431 VanDerWaalsContact O-CZ 3.25Å; D405-F431 WeakPolarHBondContact O-CZ 3.1Å; D405-S435 WeakPolarHBondContact OD1-CB 3.29Å; D405-Q493 PolarHBondContact OD2-NE2 3.45Å; D405-K529 IonicContact OD1-NZ 3.35Å; D405-K529 PolarHBondContact OD1-NZ 2.85Å; D405-K529 WeakPolarHBondContact OD2-CE 2.95Å; D405-K529 IonicContact OD2-NZ 3.64Å; D405-K529 PolarHBondContact OD2-NZ 2.76Å
406	L	98.1	Very high	97.9	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-88.6	8.8	178.6	-58.7	172.8	0	0	0	113.7	S403 E404 Y408 Y409 F431 Y465 A483 W489 L491	S403-L406 WeakPolarHBondContact O-CB 3.43Å; S403-L406 PolarHBondContact O-N 2.79Å; E404-L406 PolarHBondContact O-N 3.31Å; E404-L406 VanDerWaalsContact O-N 3.08Å; L406-Y408 PolarHBondContact O-N 3.02Å; L406-Y408 VanDerWaalsContact O-N 3.15Å; L406-Y409 WeakPolarHBondContact O-CD1 3.29Å; L406-Y409 PolarHBondContact O-N 3.04Å; L406-F431 HydrophobicContact CD2-CZ 4.41Å; L406-Y465 HydrophobicContact CB-CE2 4.42Å; L406-Y465 HydrophobicContact CD1-CD2 4.21Å; L406-Y465 HydrophobicContact CD1-CE2 3.81Å; L406-A483 HydrophobicContact CD1-CB 3.88Å; L406-A483 HydrophobicContact CD2-CB 4.36Å; L406-W489 HydrophobicContact CD2-CH2 3.96Å; L406-W489 HydrophobicContact CD2-CZ3 4.28Å; L406-L491 HydrophobicContact CD2-CD2 4.06Å
407	E	98	Very high	97.8	Very high	16 Å²	16	23.2 Å²	23.2	8%	0.075	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-57.3	-29.7	176.7	-175.5	167.8	139.7	0	0	113	E404 T438 S650 L652	E404-E407 WeakPolarHBondContact O-CB 3.04Å; E404-E407 PolarHBondContact O-N 3.33Å; E407-T438 HydrophobicContact CB-CG2 4.46Å; E407-T438 WeakPolarHBondContact OE2-CG2 3.36Å; E407-S650 WeakPolarHBondContact OE2-CB 3.37Å; E407-S650 PolarHBondContact OE2-OG 2.91Å; E407-L652 HydrophobicContact CB-CD2 3.95Å; E407-L652 HydrophobicContact CG-CB 4.42Å
408	Y	98.4	Very high	97.8	Very high	10 Å²	10	24 Å²	24	4%	0.039	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-121.6	41.2	178.8	-56	-86.6	0	0	0	111.3	L406 E410 L411 S437 W634 N637	L406-Y408 PolarHBondContact O-N 3.02Å; L406-Y408 VanDerWaalsContact O-N 3.15Å; Y408-E410 WeakPolarHBondContact CA-OE2 3.36Å; Y408-E410 PolarHBondContact O-N 3Å; Y408-E410 VanDerWaalsContact O-N 3.09Å; Y408-L411 WeakPolarHBondContact O-CB 3.43Å; Y408-L411 WeakPolarHBondContact O-CG 3.37Å; Y408-L411 PolarHBondContact O-N 2.78Å; Y408-S437 WeakPolarHBondContact CE2-OG 3.45Å; Y408-W634 AromaticContact CD1-CD1 3.51Å; Y408-W634 AromaticContact CD1-NE1 3.13Å; Y408-W634 AromaticContact CD2-NE1 3.67Å; Y408-W634 AromaticContact CE1-CD1 3.93Å; Y408-W634 AromaticContact CE1-NE1 3.18Å; Y408-W634 HydrophobicContact CE2-CZ2 4.4Å; Y408-W634 AromaticContact CE2-NE1 3.76Å; Y408-W634 AromaticContact CG-CD1 3.83Å; Y408-W634 AromaticContact CG-NE1 3.4Å; Y408-W634 AromaticContact CZ-NE1 3.55Å; Y408-N637 HydrophobicContact CE1-CB 4.37Å; Y408-N637 WeakPolarHBondContact CE1-ND2 3.49Å; Y408-N637 PolarHBondContact OH-N 3.01Å
409	Y	98.3	Very high	97.7	Very high	27 Å²	27	31.6 Å²	31.6	11%	0.106	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.5	179.3	75.5	-83.3	0	0	0	112.9	L406 L411 L412 D413 S463 Y465 W489	L406-Y409 WeakPolarHBondContact O-CD1 3.29Å; L406-Y409 PolarHBondContact O-N 3.04Å; Y409-L411 PolarHBondContact O-N 2.8Å; Y409-L411 VanDerWaalsContact O-N 3.11Å; Y409-L412 WeakPolarHBondContact O-CA 3.14Å; Y409-L412 WeakPolarHBondContact O-CB 3.42Å; Y409-L412 PolarHBondContact O-N 3.26Å; Y409-D413 WeakPolarHBondContact CE2-OD2 3.43Å; Y409-D413 PolarHBondContact O-N 3.3Å; Y409-D413 VanDerWaalsContact O-N 3.14Å; Y409-S463 VanDerWaalsContact CZ-CB 3.5Å; Y409-S463 VanDerWaalsContact OH-CB 3.27Å; Y409-S463 WeakPolarHBondContact OH-CB 3.09Å; Y409-S463 PolarHBondContact OH-OG 3.15Å; Y409-Y465 HydrophobicContact CD1-CD1 4.24Å; Y409-Y465 AromaticContact CD1-CE1 3.55Å; Y409-Y465 HydrophobicContact CD1-CE1 3.55Å; Y409-Y465 AromaticContact CD2-CD1 3.71Å; Y409-Y465 HydrophobicContact CD2-CD1 3.71Å; Y409-Y465 AromaticContact CD2-CE1 3.89Å; Y409-Y465 HydrophobicContact CD2-CE1 3.89Å; Y409-Y465 HydrophobicContact CE1-CD1 4.45Å; Y409-Y465 AromaticContact CE1-CE1 3.76Å; Y409-Y465 HydrophobicContact CE1-CE1 3.76Å; Y409-Y465 AromaticContact CE2-CD1 3.93Å; Y409-Y465 HydrophobicContact CE2-CD1 3.93Å; Y409-Y465 HydrophobicContact CE2-CE1 4.07Å; Y409-Y465 AromaticContact CG-CD1 3.89Å; Y409-Y465 HydrophobicContact CG-CD1 3.89Å; Y409-Y465 AromaticContact CG-CE1 3.64Å; Y409-Y465 HydrophobicContact CG-CE1 3.64Å; Y409-W489 HydrophobicContact CD2-CZ2 4.25Å
410	E	98.4	Very high	97.7	Very high	79 Å²	79	33.8 Å²	33.8	37%	0.369	16%	0.161	S	C	.	.	H	α-helix	trans	-61.4	-20.7	177.2	-56.3	88	161.7	0	0	112.4	Y408 L412 D413 K414	Y408-E410 WeakPolarHBondContact CA-OE2 3.36Å; Y408-E410 PolarHBondContact O-N 3Å; Y408-E410 VanDerWaalsContact O-N 3.09Å; E410-L412 VanDerWaalsContact C-N 3.34Å; E410-D413 WeakPolarHBondContact O-CB 3.45Å; E410-D413 PolarHBondContact O-N 2.76Å; E410-K414 VanDerWaalsContact O-CG 3.3Å; E410-K414 WeakPolarHBondContact O-CG 3.08Å; E410-K414 PolarHBondContact O-N 2.75Å
411	L	98.8	Very high	97.6	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.037	17%	0.17	C	C	.	.	H	α-helix	trans	-66	-38.5	170.5	-65.7	171.8	0	0	0	111.3	Y408 Y409 K414 A415 Y427 A430 F431 I633 W634	Y408-L411 WeakPolarHBondContact O-CB 3.43Å; Y408-L411 WeakPolarHBondContact O-CG 3.37Å; Y408-L411 PolarHBondContact O-N 2.78Å; Y409-L411 PolarHBondContact O-N 2.8Å; Y409-L411 VanDerWaalsContact O-N 3.11Å; L411-K414 PolarHBondContact O-N 2.65Å; L411-A415 WeakPolarHBondContact O-CB 3.49Å; L411-A415 PolarHBondContact O-N 3.3Å; L411-Y427 HydrophobicContact CD2-CD1 4.21Å; L411-A430 HydrophobicContact CD1-CB 4.23Å; L411-A430 HydrophobicContact CD2-CB 4.43Å; L411-F431 HydrophobicContact CB-CB 4.01Å; L411-F431 HydrophobicContact CB-CD2 4.45Å; L411-F431 HydrophobicContact CD1-CB 4.19Å; L411-I633 VanDerWaalsContact CD2-O 3.22Å; L411-I633 WeakPolarHBondContact CD2-O 2.99Å; L411-W634 HydrophobicContact CD1-CB 4.17Å; L411-W634 HydrophobicContact CD1-CG 4.16Å; L411-W634 HydrophobicContact CD2-CB 4.22Å
412	L	98.8	Very high	97.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70.9	-35.8	173.3	-58.6	-176.9	0	0	0	111.2	Y409 E410 K414 A415 A416 F431 W489 F518	Y409-L412 WeakPolarHBondContact O-CA 3.14Å; Y409-L412 WeakPolarHBondContact O-CB 3.42Å; Y409-L412 PolarHBondContact O-N 3.26Å; E410-L412 VanDerWaalsContact C-N 3.34Å; L412-K414 VanDerWaalsContact C-N 3.33Å; L412-K414 PolarHBondContact O-N 2.73Å; L412-A415 WeakPolarHBondContact O-CB 3.48Å; L412-A415 PolarHBondContact O-N 2.7Å; L412-A416 WeakPolarHBondContact O-CB 3.22Å; L412-A416 PolarHBondContact O-N 2.66Å; L412-F431 HydrophobicContact CD1-CD1 4.31Å; L412-F431 HydrophobicContact CD1-CD2 4.21Å; L412-F431 HydrophobicContact CD1-CE1 4Å; L412-F431 HydrophobicContact CD1-CE2 3.89Å; L412-F431 HydrophobicContact CD1-CG 4.41Å; L412-F431 HydrophobicContact CD1-CZ 3.78Å; L412-F431 HydrophobicContact CD2-CB 4.02Å; L412-F431 HydrophobicContact CD2-CD1 3.8Å; L412-F431 HydrophobicContact CD2-CD2 4.14Å; L412-F431 HydrophobicContact CD2-CE1 4.3Å; L412-F431 HydrophobicContact CD2-CG 3.7Å; L412-F431 HydrophobicContact CG-CD1 4.21Å; L412-F431 HydrophobicContact CG-CD2 3.81Å; L412-F431 HydrophobicContact CG-CE1 4.38Å; L412-F431 HydrophobicContact CG-CE2 3.99Å; L412-F431 HydrophobicContact CG-CG 3.92Å; L412-F431 HydrophobicContact CG-CZ 4.29Å; L412-W489 HydrophobicContact CB-CD2 3.85Å; L412-W489 HydrophobicContact CB-CG 3.84Å; L412-W489 HydrophobicContact CB-CZ2 4.49Å; L412-W489 HydrophobicContact CD1-CD2 3.89Å; L412-W489 HydrophobicContact CD1-CE3 3.75Å; L412-W489 HydrophobicContact CD1-CH2 4.34Å; L412-W489 HydrophobicContact CD1-CZ2 4.43Å; L412-W489 HydrophobicContact CD1-CZ3 4Å; L412-F518 HydrophobicContact CD2-CZ 4.22Å
413	D	98.4	Very high	97.7	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.048	18%	0.184	C	C	.	.	H	α-helix	trans	-61	-41.7	172.5	-67.6	-11.6	0	0	0	112.3	Y409 E410 K417 K487 W489	Y409-D413 WeakPolarHBondContact CE2-OD2 3.43Å; Y409-D413 PolarHBondContact O-N 3.3Å; Y409-D413 VanDerWaalsContact O-N 3.14Å; E410-D413 WeakPolarHBondContact O-CB 3.45Å; E410-D413 PolarHBondContact O-N 2.76Å; D413-K417 WeakPolarHBondContact O-CG 3.42Å; D413-K487 HydrophobicContact CB-CD 3.84Å; D413-K487 VanDerWaalsContact OD1-CD 3.25Å; D413-K487 WeakPolarHBondContact OD1-CD 3.48Å; D413-K487 WeakPolarHBondContact OD2-CD 3.27Å; D413-K487 WeakPolarHBondContact OD2-CE 3.43Å; D413-K487 IonicContact OD2-NZ 2.63Å; D413-K487 PolarHBondContact OD2-NZ 3.37Å; D413-W489 PolarHBondContact OD1-NE1 3.21Å
414	K	98.3	Very high	97.7	Very high	104 Å²	104	37.7 Å²	37.7	45%	0.452	18%	0.184	S	C	.	.	H	α-helix	trans	-66.7	-44.2	174.3	-72.3	171.7	-173.6	174.3	0	110.7	E410 L411 L412 A416 K417 C418 Y427	E410-K414 VanDerWaalsContact O-CG 3.3Å; E410-K414 WeakPolarHBondContact O-CG 3.08Å; E410-K414 PolarHBondContact O-N 2.75Å; L411-K414 PolarHBondContact O-N 2.65Å; L412-K414 VanDerWaalsContact C-N 3.33Å; L412-K414 PolarHBondContact O-N 2.73Å; K414-A416 VanDerWaalsContact C-N 3.29Å; K414-A416 PolarHBondContact O-N 2.89Å; K414-K417 PolarHBondContact O-N 3.41Å; K414-C418 PolarHBondContact O-N 3.46Å; K414-C418 PolarHBondContact O-SG 2.84Å; K414-Y427 HydrophobicContact CB-CD1 3.83Å; K414-Y427 HydrophobicContact CB-CE1 3.78Å; K414-Y427 HydrophobicContact CB-CG 4.27Å; K414-Y427 HydrophobicContact CD-CD1 4.27Å; K414-Y427 HydrophobicContact CD-CE1 3.73Å; K414-Y427 HydrophobicContact CG-CE1 4.35Å
415	A	98.4	Very high	97.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.1	-42	176.1	0	0	0	0	0	111.7	L411 L412 K417 C418 Q424 V428 F518	L411-A415 WeakPolarHBondContact O-CB 3.49Å; L411-A415 PolarHBondContact O-N 3.3Å; L412-A415 WeakPolarHBondContact O-CB 3.48Å; L412-A415 PolarHBondContact O-N 2.7Å; A415-K417 PolarHBondContact O-N 2.93Å; A415-C418 WeakPolarHBondContact O-CB 3.34Å; A415-C418 PolarHBondContact O-N 2.97Å; A415-C418 VanDerWaalsContact O-N 3.08Å; A415-Q424 HydrophobicContact CB-CG 4.07Å; A415-Q424 WeakPolarHBondContact O-CG 3.4Å; A415-Q424 PolarHBondContact O-NE2 3.24Å; A415-V428 HydrophobicContact CB-CG2 4.39Å; A415-F518 HydrophobicContact CB-CE1 3.68Å; A415-F518 HydrophobicContact CB-CZ 3.58Å
416	A	98.1	Very high	97.8	Very high	10 Å²	10	37.1 Å²	37.1	8%	0.083	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-19.1	178.9	0	0	0	0	0	113.9	L412 K414 K487 F518	L412-A416 WeakPolarHBondContact O-CB 3.22Å; L412-A416 PolarHBondContact O-N 2.66Å; K414-A416 VanDerWaalsContact C-N 3.29Å; K414-A416 PolarHBondContact O-N 2.89Å; A416-K487 WeakPolarHBondContact CB-O 3.15Å; A416-F518 HydrophobicContact CB-CD1 3.81Å; A416-F518 HydrophobicContact CB-CE1 4.06Å
417	K	97.1	Very high	97.9	Very high	151 Å²	151	38.2 Å²	38.2	66%	0.657	19%	0.185	S	C	*	.	H	α-helix	trans	-91.6	-13.4	176.3	-64.5	174.7	-176.4	-178.5	0	113.4	D413 K414 A415	D413-K417 WeakPolarHBondContact O-CG 3.42Å; K414-K417 PolarHBondContact O-N 3.41Å; A415-K417 PolarHBondContact O-N 2.93Å
418	C	96.6	Very high	97.9	Very high	18 Å²	18	37.5 Å²	37.5	12%	0.122	18%	0.182	C	C	.	.			trans	-68.1	137.1	-178.9	-69.1	0	0	0	0	111.7	K414 A415 Q424 Y427	K414-C418 PolarHBondContact O-N 3.46Å; K414-C418 PolarHBondContact O-SG 2.84Å; A415-C418 WeakPolarHBondContact O-CB 3.34Å; A415-C418 PolarHBondContact O-N 2.97Å; A415-C418 VanDerWaalsContact O-N 3.08Å; C418-Q424 HydrophobicContact CB-CB 3.79Å; C418-Q424 HydrophobicContact CB-CG 4.46Å; C418-Y427 VanDerWaalsContact SG-CD2 3.54Å
419	Q	94.8	Very high	97.9	Very high	190 Å²	190	37 Å²	37	89%	0.888	18%	0.18	S	C	*	.	S	Bend	trans	-89.2	-32.3	173.7	-59	-61.5	-18.7	0	0	112.1
420	S	96.4	Very high	97.9	Very high	46 Å²	46	35.7 Å²	35.7	32%	0.322	18%	0.175	S	C	.	.	S	Bend	trans	-86.6	128.6	176.4	173.3	0	0	0	0	110.7	L422 E423 Q424	S420-L422 PolarHBondContact O-N 3.31Å; S420-L422 PolarHBondContact OG-N 3.13Å; S420-E423 PolarHBondContact O-N 3.35Å; S420-E423 PolarHBondContact OG-N 3.06Å; S420-Q424 WeakPolarHBondContact O-CB 3.49Å; S420-Q424 PolarHBondContact O-N 3.36Å
421	S	97.5	Very high	98	Very high	28 Å²	28	32.1 Å²	32.1	20%	0.196	16%	0.158	C	C	.	.	H	α-helix	trans	-63.1	-31.1	174.4	57.8	0	0	0	0	112.7	M425 Y525 D559	S421-M425 WeakPolarHBondContact O-CB 3.46Å; S421-M425 PolarHBondContact O-N 3.05Å; S421-Y525 PolarHBondContact O-OH 3.4Å; S421-D559 WeakPolarHBondContact CB-OD2 3.46Å; S421-D559 PolarHBondContact OG-OD2 2.89Å
422	L	97.7	Very high	97.9	Very high	22 Å²	22	31.9 Å²	31.9	12%	0.115	16%	0.157	C	C	.	.	H	α-helix	trans	-71.8	-38.9	177.1	-64.8	166	0	0	0	111.6	S420 M425 C426 D559 V583 D585 H591 Y592	S420-L422 PolarHBondContact O-N 3.31Å; S420-L422 PolarHBondContact OG-N 3.13Å; L422-M425 WeakPolarHBondContact O-CB 3.33Å; L422-M425 PolarHBondContact O-N 2.94Å; L422-C426 PolarHBondContact O-N 2.7Å; L422-C426 PolarHBondContact O-SG 3.09Å; L422-C426 VanDerWaalsContact O-SG 3.33Å; L422-D559 HydrophobicContact CD2-CB 4.14Å; L422-V583 HydrophobicContact CB-CG1 4.46Å; L422-V583 HydrophobicContact CD2-CG1 3.79Å; L422-D585 HydrophobicContact CD2-CB 4.31Å; L422-H591 HydrophobicContact CD1-CB 4.05Å; L422-Y592 HydrophobicContact CB-CD2 4.31Å; L422-Y592 HydrophobicContact CB-CE2 3.93Å
423	E	97.1	Very high	97.9	Very high	61 Å²	61	31.9 Å²	31.9	29%	0.285	16%	0.157	S	C	.	.	H	α-helix	trans	-72.7	-40.8	174.1	-170.5	179.1	-174	0	0	111.2	S420 M425 C426 Y427 F604	S420-E423 PolarHBondContact O-N 3.35Å; S420-E423 PolarHBondContact OG-N 3.06Å; E423-M425 PolarHBondContact O-N 3.23Å; E423-C426 WeakPolarHBondContact O-CB 3.29Å; E423-C426 PolarHBondContact O-N 2.95Å; E423-Y427 HydrophobicContact CG-CE2 4.15Å; E423-Y427 WeakPolarHBondContact O-CD2 3.31Å; E423-Y427 PolarHBondContact O-N 3.18Å; E423-F604 HydrophobicContact CG-CE2 4.42Å
424	Q	98.5	Very high	97.9	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	15%	0.154	C	C	.	.	H	α-helix	trans	-55.1	-42.3	171.9	-173.3	168.5	81.2	0	0	110.7	A415 C418 S420 C426 Y427 V428 F518 S521 N523 Y525	A415-Q424 HydrophobicContact CB-CG 4.07Å; A415-Q424 WeakPolarHBondContact O-CG 3.4Å; A415-Q424 PolarHBondContact O-NE2 3.24Å; C418-Q424 HydrophobicContact CB-CB 3.79Å; C418-Q424 HydrophobicContact CB-CG 4.46Å; S420-Q424 WeakPolarHBondContact O-CB 3.49Å; S420-Q424 PolarHBondContact O-N 3.36Å; Q424-C426 VanDerWaalsContact C-N 3.33Å; Q424-C426 PolarHBondContact O-N 3.19Å; Q424-Y427 PolarHBondContact O-N 3.3Å; Q424-V428 WeakPolarHBondContact O-CG2 3.49Å; Q424-V428 PolarHBondContact O-N 3.05Å; Q424-F518 HydrophobicContact CG-CE2 4.36Å; Q424-S521 PolarHBondContact NE2-OG 2.97Å; Q424-S521 PolarHBondContact OE1-OG 2.9Å; Q424-S521 VanDerWaalsContact OE1-OG 3.07Å; Q424-N523 PolarHBondContact OE1-ND2 2.94Å; Q424-Y525 HydrophobicContact CG-CE2 4.14Å; Q424-Y525 WeakPolarHBondContact CG-OH 3.2Å; Q424-Y525 PolarHBondContact OE1-OH 3.27Å
425	M	98.6	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.5	-39	174.7	-177.4	69.1	81.8	0	0	112.8	S421 L422 E423 Y427 V428 A429 Y525 V552 N554 D559 C561 V583	S421-M425 WeakPolarHBondContact O-CB 3.46Å; S421-M425 PolarHBondContact O-N 3.05Å; L422-M425 WeakPolarHBondContact O-CB 3.33Å; L422-M425 PolarHBondContact O-N 2.94Å; E423-M425 PolarHBondContact O-N 3.23Å; M425-Y427 VanDerWaalsContact C-N 3.33Å; M425-Y427 PolarHBondContact O-N 2.81Å; M425-V428 PolarHBondContact O-N 2.6Å; M425-A429 VanDerWaalsContact O-CB 3.29Å; M425-A429 WeakPolarHBondContact O-CB 3.36Å; M425-A429 PolarHBondContact O-N 2.86Å; M425-Y525 HydrophobicContact CB-CE1 4.22Å; M425-Y525 HydrophobicContact CE-CD1 3.82Å; M425-Y525 HydrophobicContact CE-CE1 3.58Å; M425-Y525 HydrophobicContact SD-CD1 3.82Å; M425-Y525 HydrophobicContact SD-CE1 3.69Å; M425-V552 HydrophobicContact SD-CB 3.84Å; M425-V552 HydrophobicContact SD-CG1 3.54Å; M425-V552 VanDerWaalsContact SD-CG1 3.54Å; M425-N554 HydrophobicContact CE-CB 3.84Å; M425-D559 HydrophobicContact CE-CB 4.07Å; M425-D559 WeakPolarHBondContact CE-O 3.39Å; M425-C561 HydrophobicContact CG-CB 3.71Å; M425-C561 HydrophobicContact SD-CB 3.88Å; M425-V583 HydrophobicContact CB-CG1 4.14Å; M425-V583 HydrophobicContact CG-CG1 3.89Å; M425-V583 HydrophobicContact CG-CG2 4.13Å
426	C	98.6	Very high	97.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.8	-41.3	177.3	-64	0	0	0	0	112.1	L422 E423 Q424 A429 A430 F604	L422-C426 PolarHBondContact O-N 2.7Å; L422-C426 PolarHBondContact O-SG 3.09Å; L422-C426 VanDerWaalsContact O-SG 3.33Å; E423-C426 WeakPolarHBondContact O-CB 3.29Å; E423-C426 PolarHBondContact O-N 2.95Å; Q424-C426 VanDerWaalsContact C-N 3.33Å; Q424-C426 PolarHBondContact O-N 3.19Å; C426-A429 PolarHBondContact O-N 3.1Å; C426-A430 WeakPolarHBondContact O-CB 3.22Å; C426-A430 PolarHBondContact O-N 3.45Å; C426-F604 HydrophobicContact CB-CD2 3.77Å; C426-F604 HydrophobicContact CB-CE2 4.18Å; C426-F604 HydrophobicContact CB-CG 4.42Å; C426-F604 VanDerWaalsContact SG-CD2 3.57Å
427	Y	98.8	Very high	97.7	Very high	23 Å²	23	26.9 Å²	26.9	9%	0.09	13%	0.134	C	C	.	.	H	α-helix	trans	-71	-38.5	176.7	-73.7	-75.5	0	0	0	112.7	L411 K414 C418 E423 Q424 M425 A429 A430 F431 I633	L411-Y427 HydrophobicContact CD2-CD1 4.21Å; K414-Y427 HydrophobicContact CB-CD1 3.83Å; K414-Y427 HydrophobicContact CB-CE1 3.78Å; K414-Y427 HydrophobicContact CB-CG 4.27Å; K414-Y427 HydrophobicContact CD-CD1 4.27Å; K414-Y427 HydrophobicContact CD-CE1 3.73Å; K414-Y427 HydrophobicContact CG-CE1 4.35Å; C418-Y427 VanDerWaalsContact SG-CD2 3.54Å; E423-Y427 HydrophobicContact CG-CE2 4.15Å; E423-Y427 WeakPolarHBondContact O-CD2 3.31Å; E423-Y427 PolarHBondContact O-N 3.18Å; Q424-Y427 PolarHBondContact O-N 3.3Å; M425-Y427 VanDerWaalsContact C-N 3.33Å; M425-Y427 PolarHBondContact O-N 2.81Å; Y427-A429 VanDerWaalsContact C-N 3.33Å; Y427-A430 PolarHBondContact O-N 2.79Å; Y427-F431 WeakPolarHBondContact O-CB 3.23Å; Y427-F431 PolarHBondContact O-N 3.1Å; Y427-I633 HydrophobicContact CE1-CG2 4.42Å
428	V	98.8	Very high	97.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.7	-40	173.7	177.9	0	0	0	0	111.1	A415 Q424 M425 F431 T432 F518 Y525 W527 V552	A415-V428 HydrophobicContact CB-CG2 4.39Å; Q424-V428 WeakPolarHBondContact O-CG2 3.49Å; Q424-V428 PolarHBondContact O-N 3.05Å; M425-V428 PolarHBondContact O-N 2.6Å; V428-F431 PolarHBondContact O-N 2.9Å; V428-T432 PolarHBondContact O-N 2.78Å; V428-T432 PolarHBondContact O-OG1 2.86Å; V428-F518 HydrophobicContact CG2-CE2 3.77Å; V428-F518 HydrophobicContact CG2-CZ 3.87Å; V428-Y525 HydrophobicContact CG1-CD1 4.31Å; V428-Y525 HydrophobicContact CG1-CG 4.28Å; V428-Y525 HydrophobicContact CG2-CD1 4.39Å; V428-Y525 HydrophobicContact CG2-CD2 4.28Å; V428-Y525 HydrophobicContact CG2-CE1 4.45Å; V428-Y525 HydrophobicContact CG2-CE2 4.36Å; V428-Y525 HydrophobicContact CG2-CG 4.31Å; V428-W527 HydrophobicContact CG1-CE3 4.19Å; V428-W527 HydrophobicContact CG1-CH2 4.18Å; V428-W527 HydrophobicContact CG1-CZ3 3.75Å; V428-V552 HydrophobicContact CG1-CG1 3.78Å
429	A	98.7	Very high	97.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.1	-43	174.9	0	0	0	0	0	111.7	M425 C426 Y427 T432 V433 C561 L563 L594	M425-A429 VanDerWaalsContact O-CB 3.29Å; M425-A429 WeakPolarHBondContact O-CB 3.36Å; M425-A429 PolarHBondContact O-N 2.86Å; C426-A429 PolarHBondContact O-N 3.1Å; Y427-A429 VanDerWaalsContact C-N 3.33Å; A429-T432 WeakPolarHBondContact O-CB 3.26Å; A429-T432 PolarHBondContact O-N 3.02Å; A429-V433 WeakPolarHBondContact O-CG2 3.36Å; A429-V433 PolarHBondContact O-N 2.81Å; A429-C561 HydrophobicContact CB-CB 4.33Å; A429-L563 HydrophobicContact CB-CD1 4.17Å; A429-L563 HydrophobicContact CB-CD2 4.38Å; A429-L594 HydrophobicContact CB-CD2 3.75Å
430	A	98.8	Very high	97.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62	-42.9	173.8	0	0	0	0	0	112.3	L411 C426 Y427 T432 V433 S434 I633 W634	L411-A430 HydrophobicContact CD1-CB 4.23Å; L411-A430 HydrophobicContact CD2-CB 4.43Å; C426-A430 WeakPolarHBondContact O-CB 3.22Å; C426-A430 PolarHBondContact O-N 3.45Å; Y427-A430 PolarHBondContact O-N 2.79Å; A430-T432 VanDerWaalsContact C-N 3.31Å; A430-T432 PolarHBondContact O-N 3.17Å; A430-V433 PolarHBondContact O-N 2.65Å; A430-S434 WeakPolarHBondContact O-CB 3.27Å; A430-S434 PolarHBondContact O-N 2.86Å; A430-I633 HydrophobicContact CB-CD1 3.68Å; A430-I633 HydrophobicContact CB-CG1 4.01Å; A430-W634 HydrophobicContact CB-CB 4.3Å
431	F	98.8	Very high	97.1	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.018	7%	0.074	C	C	.	.	H	α-helix	trans	-57.3	-46.5	174.6	174.5	-101.5	0	0	0	110.9	D405 L406 L411 L412 Y427 V428 V433 S434 S435 L491 W527	D405-F431 WeakPolarHBondContact O-CE2 3.47Å; D405-F431 VanDerWaalsContact O-CZ 3.25Å; D405-F431 WeakPolarHBondContact O-CZ 3.1Å; L406-F431 HydrophobicContact CD2-CZ 4.41Å; L411-F431 HydrophobicContact CB-CB 4.01Å; L411-F431 HydrophobicContact CB-CD2 4.45Å; L411-F431 HydrophobicContact CD1-CB 4.19Å; L412-F431 HydrophobicContact CD1-CD1 4.31Å; L412-F431 HydrophobicContact CD1-CD2 4.21Å; L412-F431 HydrophobicContact CD1-CE1 4Å; L412-F431 HydrophobicContact CD1-CE2 3.89Å; L412-F431 HydrophobicContact CD1-CG 4.41Å; L412-F431 HydrophobicContact CD1-CZ 3.78Å; L412-F431 HydrophobicContact CD2-CB 4.02Å; L412-F431 HydrophobicContact CD2-CD1 3.8Å; L412-F431 HydrophobicContact CD2-CD2 4.14Å; L412-F431 HydrophobicContact CD2-CE1 4.3Å; L412-F431 HydrophobicContact CD2-CG 3.7Å; L412-F431 HydrophobicContact CG-CD1 4.21Å; L412-F431 HydrophobicContact CG-CD2 3.81Å; L412-F431 HydrophobicContact CG-CE1 4.38Å; L412-F431 HydrophobicContact CG-CE2 3.99Å; L412-F431 HydrophobicContact CG-CG 3.92Å; L412-F431 HydrophobicContact CG-CZ 4.29Å; Y427-F431 WeakPolarHBondContact O-CB 3.23Å; Y427-F431 PolarHBondContact O-N 3.1Å; V428-F431 PolarHBondContact O-N 2.9Å; F431-V433 PolarHBondContact O-N 3.45Å; F431-S434 WeakPolarHBondContact CA-OG 3.45Å; F431-S434 PolarHBondContact O-N 3.12Å; F431-S434 PolarHBondContact O-OG 3.18Å; F431-S435 PolarHBondContact O-N 3Å; F431-L491 HydrophobicContact CE1-CD1 4.21Å; F431-L491 HydrophobicContact CE1-CD2 4.43Å; F431-L491 HydrophobicContact CZ-CD2 4.25Å; F431-W527 HydrophobicContact CD1-CH2 4.29Å; F431-W527 HydrophobicContact CD1-CZ2 4.02Å; F431-W527 HydrophobicContact CE1-CH2 4.35Å; F431-W527 HydrophobicContact CE1-CZ2 4.02Å
432	T	98.2	Very high	96.9	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-56.2	-47.1	176.3	-58.1	0	0	0	0	112.1	V428 A429 A430 S435 Y436 W527 I550 L563	V428-T432 PolarHBondContact O-N 2.78Å; V428-T432 PolarHBondContact O-OG1 2.86Å; A429-T432 WeakPolarHBondContact O-CB 3.26Å; A429-T432 PolarHBondContact O-N 3.02Å; A430-T432 VanDerWaalsContact C-N 3.31Å; A430-T432 PolarHBondContact O-N 3.17Å; T432-S435 PolarHBondContact O-OG 2.66Å; T432-Y436 WeakPolarHBondContact O-CE2 3.38Å; T432-W527 VanDerWaalsContact CG2-CD1 3.47Å; T432-W527 HydrophobicContact CG2-CG 4.22Å; T432-W527 PolarHBondContact OG1-NE1 2.91Å; T432-I550 HydrophobicContact CG2-CD1 3.63Å; T432-I550 HydrophobicContact CG2-CG2 4.28Å; T432-L563 HydrophobicContact CG2-CD1 4.36Å
433	V	98.6	Very high	96.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.2	-42.1	178.2	176.8	0	0	0	0	111.6	A429 A430 F431 S435 Y436 L563 F565 V579 W598 M602	A429-V433 WeakPolarHBondContact O-CG2 3.36Å; A429-V433 PolarHBondContact O-N 2.81Å; A430-V433 PolarHBondContact O-N 2.65Å; F431-V433 PolarHBondContact O-N 3.45Å; V433-S435 PolarHBondContact O-N 2.95Å; V433-Y436 PolarHBondContact O-N 3.41Å; V433-Y436 VanDerWaalsContact O-N 3.16Å; V433-L563 HydrophobicContact CG2-CD1 4.03Å; V433-L563 HydrophobicContact CG2-CD2 4.24Å; V433-F565 HydrophobicContact CG2-CZ 3.96Å; V433-V579 HydrophobicContact CG1-CG2 4.33Å; V433-V579 HydrophobicContact CG2-CG1 3.96Å; V433-W598 HydrophobicContact CG1-CB 3.88Å; V433-M602 HydrophobicContact CB-CG 4.22Å; V433-M602 HydrophobicContact CG1-CG 3.8Å; V433-M602 HydrophobicContact CG1-SD 4.01Å; V433-M602 HydrophobicContact CG2-CE 4.48Å
434	S	98.4	Very high	95.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.8	-30.8	-175.2	74	0	0	0	0	113.5	A430 F431 Y436 S437 W634	A430-S434 WeakPolarHBondContact O-CB 3.27Å; A430-S434 PolarHBondContact O-N 2.86Å; F431-S434 WeakPolarHBondContact CA-OG 3.45Å; F431-S434 PolarHBondContact O-N 3.12Å; F431-S434 PolarHBondContact O-OG 3.18Å; S434-Y436 PolarHBondContact O-N 3.29Å; S434-Y436 VanDerWaalsContact O-N 3.12Å; S434-S437 VanDerWaalsContact O-CB 3.27Å; S434-S437 WeakPolarHBondContact O-CB 3.27Å; S434-S437 PolarHBondContact O-N 2.66Å; S434-S437 PolarHBondContact O-OG 3Å; S434-W634 VanDerWaalsContact CB-CE2 3.48Å; S434-W634 VanDerWaalsContact CB-NE1 3.34Å
435	S	96.4	Very high	95.4	Very high	11 Å²	11	16.9 Å²	16.9	8%	0.077	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.7	178.7	69.7	0	0	0	0	114.1	D405 F431 T432 V433 T438	D405-S435 WeakPolarHBondContact OD1-CB 3.29Å; F431-S435 PolarHBondContact O-N 3Å; T432-S435 PolarHBondContact O-OG 2.66Å; V433-S435 PolarHBondContact O-N 2.95Å; S435-T438 PolarHBondContact O-OG1 3.09Å
436	Y	97.4	Very high	95.2	Very high	8 Å²	8	17.9 Å²	17.9	3%	0.031	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-16.6	178.2	-63.6	-79.8	0	0	0	113.6	T432 V433 S434 T438 T439 K529 V530 Q546 I550 F565	T432-Y436 WeakPolarHBondContact O-CE2 3.38Å; V433-Y436 PolarHBondContact O-N 3.41Å; V433-Y436 VanDerWaalsContact O-N 3.16Å; S434-Y436 PolarHBondContact O-N 3.29Å; S434-Y436 VanDerWaalsContact O-N 3.12Å; Y436-T438 PolarHBondContact O-N 3.03Å; Y436-T439 WeakPolarHBondContact O-CB 3.41Å; Y436-T439 PolarHBondContact O-N 3.2Å; Y436-T439 PolarHBondContact O-OG1 2.85Å; Y436-K529 WeakPolarHBondContact OH-CA 3.42Å; Y436-K529 WeakPolarHBondContact OH-CB 3.24Å; Y436-K529 WeakPolarHBondContact OH-CG 3.49Å; Y436-V530 HydrophobicContact CE1-CG2 3.78Å; Y436-V530 HydrophobicContact CE2-CG2 4.2Å; Y436-V530 PolarHBondContact OH-N 3.32Å; Y436-Q546 VanDerWaalsContact CD1-CD 3.46Å; Y436-Q546 HydrophobicContact CD1-CG 3.9Å; Y436-Q546 HydrophobicContact CG-CG 4.22Å; Y436-I550 HydrophobicContact CE2-CD1 4.29Å; Y436-F565 AromaticContact CD2-CE1 3.85Å; Y436-F565 HydrophobicContact CD2-CE1 3.85Å; Y436-F565 AromaticContact CD2-CZ 3.97Å; Y436-F565 HydrophobicContact CD2-CZ 3.97Å; Y436-F565 HydrophobicContact CE2-CE1 4.13Å; Y436-F565 AromaticContact CE2-CZ 3.89Å; Y436-F565 HydrophobicContact CE2-CZ 3.89Å; Y436-F565 HydrophobicContact CG-CE1 4.45Å
437	S	96.6	Very high	94.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-64.3	-23.9	-173.6	70.7	0	0	0	0	113.7	Y408 S434 T439 V440 W598 K636	Y408-S437 WeakPolarHBondContact CE2-OG 3.45Å; S434-S437 VanDerWaalsContact O-CB 3.27Å; S434-S437 WeakPolarHBondContact O-CB 3.27Å; S434-S437 PolarHBondContact O-N 2.66Å; S434-S437 PolarHBondContact O-OG 3Å; S437-T439 VanDerWaalsContact C-N 3.26Å; S437-T439 PolarHBondContact O-N 2.95Å; S437-V440 VanDerWaalsContact O-CG2 3.32Å; S437-V440 WeakPolarHBondContact O-CG2 3.42Å; S437-W598 WeakPolarHBondContact CA-O 3.22Å; S437-W598 VanDerWaalsContact CB-O 3.29Å; S437-W598 WeakPolarHBondContact CB-O 3.46Å; S437-K636 WeakPolarHBondContact O-CE 3.47Å; S437-K636 PolarHBondContact O-NZ 2.71Å
438	T	94.2	Very high	94.7	Very high	16 Å²	16	19.7 Å²	19.7	10%	0.098	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-75.5	-13.5	176.7	68.1	0	0	0	0	112.6	E407 S435 Y436 R442	E407-T438 HydrophobicContact CB-CG2 4.46Å; E407-T438 WeakPolarHBondContact OE2-CG2 3.36Å; S435-T438 PolarHBondContact O-OG1 3.09Å; Y436-T438 PolarHBondContact O-N 3.03Å; T438-R442 WeakPolarHBondContact O-CD 3.28Å
439	T	94.4	Very high	94.5	Very high	23 Å²	23	19.8 Å²	19.8	14%	0.141	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-88.8	-17.9	-174.1	70	0	0	0	0	114.1	Y436 S437 H441 R442 I544 Q546	Y436-T439 WeakPolarHBondContact O-CB 3.41Å; Y436-T439 PolarHBondContact O-N 3.2Å; Y436-T439 PolarHBondContact O-OG1 2.85Å; S437-T439 VanDerWaalsContact C-N 3.26Å; S437-T439 PolarHBondContact O-N 2.95Å; T439-H441 VanDerWaalsContact C-N 3.28Å; T439-H441 PolarHBondContact O-N 2.8Å; T439-R442 PolarHBondContact O-N 3.27Å; T439-I544 WeakPolarHBondContact O-CD1 3.34Å; T439-Q546 PolarHBondContact OG1-NE2 3.2Å
440	V	92.6	Very high	94.4	Very high	12 Å²	12	20 Å²	20	7%	0.073	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-46.2	-166.9	-179.1	0	0	0	0	113.8	S437 W598 D599	S437-V440 VanDerWaalsContact O-CG2 3.32Å; S437-V440 WeakPolarHBondContact O-CG2 3.42Å; V440-W598 HydrophobicContact CB-CZ3 4.31Å; V440-W598 HydrophobicContact CG2-CE3 4.16Å; V440-W598 HydrophobicContact CG2-CH2 4.06Å; V440-W598 HydrophobicContact CG2-CZ3 3.39Å; V440-D599 HydrophobicContact CG2-CB 3.51Å
441	H	91.1	Very high	94.3	Very high	89 Å²	89	20.6 Å²	20.6	41%	0.412	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-2.6	-175.1	-57.5	-62.8	0	0	0	113.6	T439 T443 Y648	T439-H441 VanDerWaalsContact C-N 3.28Å; T439-H441 PolarHBondContact O-N 2.8Å; H441-T443 PolarHBondContact O-N 3.01Å; H441-Y648 HydrophobicContact CB-CD1 3.77Å; H441-Y648 HydrophobicContact CB-CD2 3.61Å; H441-Y648 HydrophobicContact CB-CE1 4.27Å; H441-Y648 HydrophobicContact CB-CE2 4.13Å; H441-Y648 HydrophobicContact CB-CG 3.4Å
442	R	91.8	Very high	94.2	Very high	10 Å²	10	20.5 Å²	20.5	4%	0.038	11%	0.113	C	C	.	.			trans	-96.6	79	-167.2	-67.4	-165.7	56.2	-154.8	4.6	111.9	E394 R401 E404 T438 T439 G444 I544 Y647	E394-R442 IonicContact OE1-CZ 3.92Å; E394-R442 IonicContact OE1-NH2 2.67Å; E394-R442 PolarHBondContact OE1-NH2 2.88Å; E394-R442 IonicContact OE2-CZ 2.81Å; E394-R442 VanDerWaalsContact OE2-CZ 3.23Å; E394-R442 IonicContact OE2-NE 3.57Å; E394-R442 PolarHBondContact OE2-NE 3.15Å; E394-R442 VanDerWaalsContact OE2-NE 3.1Å; E394-R442 IonicContact OE2-NH2 2.81Å; E394-R442 PolarHBondContact OE2-NH2 2.83Å; R401-R442 VanDerWaalsContact CZ-NH2 3.25Å; R401-R442 VanDerWaalsContact NH1-CZ 3.32Å; R401-R442 VanDerWaalsContact NH2-CZ 3.26Å; E404-R442 IonicContact OE1-CZ 2.62Å; E404-R442 IonicContact OE1-NH1 2.82Å; E404-R442 PolarHBondContact OE1-NH1 2.89Å; E404-R442 IonicContact OE1-NH2 3.42Å; E404-R442 IonicContact OE2-NH1 2.71Å; E404-R442 PolarHBondContact OE2-NH1 3.43Å; T438-R442 WeakPolarHBondContact O-CD 3.28Å; T439-R442 PolarHBondContact O-N 3.27Å; R442-G444 VanDerWaalsContact C-N 3.34Å; R442-I544 WeakPolarHBondContact O-CD1 3.33Å; R442-Y647 WeakPolarHBondContact CG-O 3.43Å
443	T	87.5	Confident	94.2	Very high	65 Å²	65	20.5 Å²	20.5	40%	0.399	11%	0.113	S	C	.	.			trans	-84.4	-6.4	179.1	56.4	0	0	0	0	113.9	H441 L542 I544	H441-T443 PolarHBondContact O-N 3.01Å; T443-L542 HydrophobicContact CG2-CB 3.78Å; T443-I544 HydrophobicContact CG2-CD1 4.07Å; T443-I544 HydrophobicContact CG2-CG1 4.33Å
444	G	87.6	Confident	94.2	Very high	20 Å²	20	20.5 Å²	20.5	21%	0.206	11%	0.113	C	C	.	.	S	Bend	trans	-69.8	141.6	173.4	0	0	0	0	0	111.9	F392 R442	F392-G444 WeakPolarHBondContact O-CA 3.48Å; R442-G444 VanDerWaalsContact C-N 3.34Å
445	K	88.3	Confident	94.3	Very high	73 Å²	73	20.5 Å²	20.5	32%	0.317	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	123.9	176.8	-173.6	-174	172.7	-179.2	0	109.6	M388 F392 N393 E394	M388-K445 HydrophobicContact CB-CD 4.29Å; M388-K445 HydrophobicContact CG-CD 3.88Å; F392-K445 PolarHBondContact O-N 3.48Å; N393-K445 CarbonylContact C-O 3.55Å; N393-K445 WeakPolarHBondContact CA-O 3.4Å; N393-K445 VanDerWaalsContact CB-O 3.31Å; N393-K445 WeakPolarHBondContact CB-O 3.45Å; N393-K445 VanDerWaalsContact CG-O 3.29Å; N393-K445 PolarHBondContact ND2-O 3.14Å; N393-K445 VanDerWaalsContact ND2-O 3.08Å; E394-K445 PolarHBondContact N-O 3.07Å; E394-K445 VanDerWaalsContact N-O 3.17Å
446	P	93.3	Very high	94.4	Very high	21 Å²	21	20 Å²	20	14%	0.136	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	154.8	170.6	25.1	-32.7	0	0	0	111	E394 L396 M398 R401 N448	E394-P446 HydrophobicContact CG-CB 4.42Å; L396-P446 CarbonylContact O-C 3.59Å; L396-P446 WeakPolarHBondContact O-CA 3.25Å; L396-P446 VanDerWaalsContact O-CB 3.31Å; L396-P446 WeakPolarHBondContact O-CB 3.34Å; M398-P446 HydrophobicContact CB-CG 4.49Å; M398-P446 HydrophobicContact SD-CG 3.77Å; R401-P446 HydrophobicContact CB-CB 4.33Å; R401-P446 HydrophobicContact CB-CG 4.4Å; R401-P446 HydrophobicContact CG-CG 4.44Å; P446-N448 PolarHBondContact O-N 3.23Å
447	F	93.7	Very high	94.4	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	133.2	172.7	-77	-101.4	0	0	0	109.9	V390 N393 E394 L396 M398 P449 D673 Q674 M677 K689	V390-F447 HydrophobicContact CG1-CZ 4.11Å; V390-F447 HydrophobicContact CG2-CE1 4.3Å; V390-F447 HydrophobicContact CG2-CZ 4.37Å; N393-F447 HydrophobicContact CB-CD2 4.3Å; N393-F447 HydrophobicContact CB-CE2 3.9Å; N393-F447 HydrophobicContact CB-CZ 4.24Å; E394-F447 VanDerWaalsContact O-CD2 3.29Å; E394-F447 WeakPolarHBondContact O-CD2 3.44Å; E394-F447 WeakPolarHBondContact O-CE2 3.43Å; L396-F447 PolarHBondContact O-N 3.43Å; M398-F447 PolarHBondContact N-O 3.2Å; F447-P449 VanDerWaalsContact O-CD 3.29Å; F447-P449 WeakPolarHBondContact O-CD 3.34Å; F447-D673 WeakPolarHBondContact CD1-OD2 3.28Å; F447-D673 HydrophobicContact CE1-CB 4.35Å; F447-D673 WeakPolarHBondContact CE1-OD2 3.35Å; F447-Q674 HydrophobicContact CD2-CB 4.33Å; F447-Q674 HydrophobicContact CD2-CG 4.07Å; F447-Q674 HydrophobicContact CE2-CB 4.3Å; F447-Q674 HydrophobicContact CE2-CG 4.16Å; F447-M677 HydrophobicContact CE2-CB 4.4Å; F447-M677 HydrophobicContact CE2-SD 3.41Å; F447-M677 WeakPolarHBondContact CE2-SD 3.4Å; F447-M677 HydrophobicContact CZ-CB 4.12Å; F447-M677 HydrophobicContact CZ-CG 4.49Å; F447-M677 HydrophobicContact CZ-SD 3.62Å; F447-K689 HydrophobicContact CE1-CD 4.34Å
448	N	92.7	Very high	94.4	Very high	60 Å²	60	21 Å²	21	32%	0.321	12%	0.115	S	C	.	.	P	Polyproline II helix	trans	-69.4	119	171.5	-171	27.9	0	0	0	107.5	P446 H474 R671	P446-N448 PolarHBondContact O-N 3.23Å; N448-H474 PolarHBondContact ND2-CE1 2.96Å; N448-H474 VanDerWaalsContact ND2-CE1 3.34Å; N448-R671 PolarHBondContact O-NH1 3.44Å
449	P	95.8	Very high	94.4	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-63.4	147.7	-177.3	-20.4	33.7	0	0	0	111.1	M398 L399 F447 E453 Q471	M398-P449 HydrophobicContact CB-CG 3.74Å; L399-P449 HydrophobicContact CD1-CB 4.14Å; L399-P449 HydrophobicContact CD1-CG 4.41Å; L399-P449 HydrophobicContact CD2-CB 4.22Å; L399-P449 HydrophobicContact CD2-CG 3.85Å; L399-P449 HydrophobicContact CG-CB 3.88Å; L399-P449 HydrophobicContact CG-CG 3.62Å; F447-P449 VanDerWaalsContact O-CD 3.29Å; F447-P449 WeakPolarHBondContact O-CD 3.34Å; P449-E453 VanDerWaalsContact CA-OE2 3.3Å; P449-E453 WeakPolarHBondContact CA-OE2 3.43Å; P449-E453 HydrophobicContact CB-CB 4.15Å; P449-E453 HydrophobicContact CB-CG 4.48Å; P449-Q471 HydrophobicContact CB-CB 3.91Å; P449-Q471 HydrophobicContact CB-CG 4.01Å; P449-Q471 VanDerWaalsContact CG-OE1 3.31Å
450	L	96.3	Very high	94.4	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-71.2	151.7	169.7	-57.2	176.9	0	0	0	109.4	G452 E453 Q471 L692 Q696 I762 F763	L450-G452 PolarHBondContact O-N 3.17Å; L450-E453 HydrophobicContact CB-CB 4.25Å; L450-E453 PolarHBondContact N-OE2 3.46Å; L450-E453 WeakPolarHBondContact O-CB 3.4Å; L450-E453 PolarHBondContact O-N 3.23Å; L450-Q471 WeakPolarHBondContact O-CB 3.39Å; L450-Q471 WeakPolarHBondContact O-CG 3.25Å; L450-L692 HydrophobicContact CD1-CB 4.24Å; L450-L692 HydrophobicContact CD1-CD2 4.12Å; L450-Q696 HydrophobicContact CD2-CB 4.4Å; L450-I762 WeakPolarHBondContact CD1-O 3.22Å; L450-F763 HydrophobicContact CD1-CD1 3.86Å; L450-F763 HydrophobicContact CD1-CE1 4.02Å
451	L	96.5	Very high	94.3	Very high	14 Å²	14	32.6 Å²	32.6	7%	0.073	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	127.6	175.2	-174.9	70.7	0	0	0	109.9	E453 H474 Y723	L451-E453 PolarHBondContact O-N 2.88Å; L451-H474 HydrophobicContact CB-CB 4.29Å; L451-H474 HydrophobicContact CD1-CB 4.29Å; L451-Y723 HydrophobicContact CD1-CD1 3.6Å; L451-Y723 HydrophobicContact CD1-CE1 3.79Å; L451-Y723 HydrophobicContact CD1-CG 4.16Å; L451-Y723 HydrophobicContact CD2-CD1 3.98Å; L451-Y723 HydrophobicContact CD2-CD2 3.9Å; L451-Y723 HydrophobicContact CD2-CE1 4.5Å; L451-Y723 HydrophobicContact CD2-CE2 4.4Å; L451-Y723 HydrophobicContact CD2-CG 3.64Å; L451-Y723 HydrophobicContact CG-CD1 3.81Å; L451-Y723 HydrophobicContact CG-CD2 4.19Å; L451-Y723 HydrophobicContact CG-CE1 3.9Å; L451-Y723 HydrophobicContact CG-CE2 4.24Å; L451-Y723 HydrophobicContact CG-CG 3.96Å
452	G	97.1	Very high	94.3	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.021	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	0.7	-172.6	0	0	0	0	0	114.8	L450 T454 Q471 T666 Y723	L450-G452 PolarHBondContact O-N 3.17Å; G452-T454 PolarHBondContact O-N 2.97Å; G452-Q471 PolarHBondContact N-O 3.32Å; G452-T666 WeakPolarHBondContact O-CB 3.2Å; G452-Y723 WeakPolarHBondContact CA-OH 3.4Å
453	E	98.6	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.			trans	-60.7	137.3	166.5	-167	178.8	142.7	0	0	109.1	L399 P449 L450 L451 E470 Q471 T666 S668 R671 I762 F763	L399-E453 HydrophobicContact CD1-CB 4.26Å; L399-E453 HydrophobicContact CD1-CG 4.2Å; L399-E453 VanDerWaalsContact CD1-O 3.25Å; L399-E453 WeakPolarHBondContact CD1-O 3.25Å; P449-E453 VanDerWaalsContact CA-OE2 3.3Å; P449-E453 WeakPolarHBondContact CA-OE2 3.43Å; P449-E453 HydrophobicContact CB-CB 4.15Å; P449-E453 HydrophobicContact CB-CG 4.48Å; L450-E453 HydrophobicContact CB-CB 4.25Å; L450-E453 PolarHBondContact N-OE2 3.46Å; L450-E453 WeakPolarHBondContact O-CB 3.4Å; L450-E453 PolarHBondContact O-N 3.23Å; L451-E453 PolarHBondContact O-N 2.88Å; E453-E470 WeakPolarHBondContact O-CA 3.31Å; E453-Q471 PolarHBondContact O-N 3.41Å; E453-T666 WeakPolarHBondContact CG-O 3.46Å; E453-S668 WeakPolarHBondContact OE1-CB 3.41Å; E453-S668 PolarHBondContact OE1-OG 3.16Å; E453-R671 IonicContact OE1-NH1 3.67Å; E453-R671 IonicContact OE2-CZ 2.75Å; E453-R671 IonicContact OE2-NH1 3.96Å; E453-R671 PolarHBondContact OE2-NH1 3.19Å; E453-I762 VanDerWaalsContact CA-CD1 3.42Å; E453-I762 HydrophobicContact CB-CD1 3.87Å; E453-I762 HydrophobicContact CG-CD1 4.37Å; E453-F763 HydrophobicContact CG-CE1 4.37Å; E453-F763 HydrophobicContact CG-CZ 4.17Å
454	T	98.8	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	159.3	178.9	55.9	0	0	0	0	110.2	G452 C469 E470 T666 D667 S668	G452-T454 PolarHBondContact O-N 2.97Å; T454-C469 CarbonylContact C-O 3.58Å; T454-C469 VanDerWaalsContact CA-O 3.23Å; T454-C469 WeakPolarHBondContact CA-O 3.48Å; T454-E470 HydrophobicContact CG2-CB 4.37Å; T454-E470 HydrophobicContact CG2-CG 4.18Å; T454-T666 PolarHBondContact N-O 3.49Å; T454-T666 VanDerWaalsContact OG1-C 3.29Å; T454-T666 PolarHBondContact OG1-O 3.48Å; T454-T666 PolarHBondContact OG1-OG1 3Å; T454-D667 CarbonylContact O-C 3.57Å; T454-D667 WeakPolarHBondContact O-CA 3.46Å; T454-D667 PolarHBondContact OG1-N 3.08Å; T454-S668 PolarHBondContact O-N 3.27Å; T454-S668 PolarHBondContact O-OG 3.09Å
455	F	98.8	Very high	95.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	122.9	164.9	174.3	-108.2	0	0	0	109.6	L399 Q400 S403 L457 C469 L656 D667 R669	L399-F455 HydrophobicContact CB-CB 3.68Å; L399-F455 HydrophobicContact CD1-CB 4.24Å; Q400-F455 HydrophobicContact CB-CD1 4.49Å; Q400-F455 HydrophobicContact CB-CE1 4.4Å; Q400-F455 HydrophobicContact CG-CD1 3.85Å; Q400-F455 HydrophobicContact CG-CD2 3.46Å; Q400-F455 VanDerWaalsContact CG-CD2 3.46Å; Q400-F455 HydrophobicContact CG-CE1 3.82Å; Q400-F455 HydrophobicContact CG-CE2 3.43Å; Q400-F455 VanDerWaalsContact CG-CE2 3.43Å; Q400-F455 HydrophobicContact CG-CG 3.67Å; Q400-F455 HydrophobicContact CG-CZ 3.62Å; S403-F455 VanDerWaalsContact OG-CD1 3.28Å; S403-F455 WeakPolarHBondContact OG-CD1 3.28Å; S403-F455 WeakPolarHBondContact OG-CE1 3.47Å; F455-L457 HydrophobicContact CE1-CB 4.04Å; F455-L457 HydrophobicContact CZ-CB 4.38Å; F455-C469 HydrophobicContact CB-CB 4.4Å; F455-C469 PolarHBondContact N-O 3.17Å; F455-C469 PolarHBondContact O-N 3.45Å; F455-L656 HydrophobicContact CE1-CD2 4.23Å; F455-L656 WeakPolarHBondContact CE2-O 3.43Å; F455-L656 HydrophobicContact CZ-CB 4.15Å; F455-L656 HydrophobicContact CZ-CD2 3.95Å; F455-D667 WeakPolarHBondContact CA-OD2 3.48Å; F455-R669 VanDerWaalsContact CE2-CZ 3.5Å
456	E	98.5	Very high	95.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	142.4	170.6	57.2	154.5	-129	0	0	113	S467 L468 V663 D667 R669 Y747 W748 K751	E456-S467 CarbonylContact C-O 3.58Å; E456-S467 WeakPolarHBondContact CA-O 3.34Å; E456-L468 HydrophobicContact CB-CD1 4.46Å; E456-V663 HydrophobicContact CG-CG1 4.29Å; E456-V663 WeakPolarHBondContact OE1-CG1 3.23Å; E456-D667 WeakPolarHBondContact CG-OD2 3.44Å; E456-D667 PolarHBondContact N-OD2 2.84Å; E456-R669 VanDerWaalsContact O-CZ 3.29Å; E456-R669 PolarHBondContact O-NH1 3.47Å; E456-R669 PolarHBondContact O-NH2 3Å; E456-Y747 HydrophobicContact CB-CE1 3.86Å; E456-Y747 WeakPolarHBondContact CB-OH 3.26Å; E456-Y747 HydrophobicContact CG-CE1 4.35Å; E456-Y747 VanDerWaalsContact CG-OH 3.3Å; E456-Y747 WeakPolarHBondContact CG-OH 3.4Å; E456-Y747 VanDerWaalsContact OE2-CE1 3.3Å; E456-Y747 WeakPolarHBondContact OE2-CE1 3.37Å; E456-Y747 PolarHBondContact OE2-OH 3.36Å; E456-W748 HydrophobicContact CB-CH2 3.96Å; E456-W748 HydrophobicContact CB-CZ3 4.26Å; E456-K751 VanDerWaalsContact OE1-CE 3.31Å; E456-K751 WeakPolarHBondContact OE1-CE 3.5Å; E456-K751 IonicContact OE1-NZ 2.79Å; E456-K751 PolarHBondContact OE1-NZ 3.48Å; E456-K751 WeakPolarHBondContact OE2-CD 3.35Å; E456-K751 WeakPolarHBondContact OE2-CE 3.33Å; E456-K751 IonicContact OE2-NZ 2.86Å; E456-K751 PolarHBondContact OE2-NZ 2.8Å
457	L	98	Very high	96	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	89	167.1	179.5	63	0	0	0	108.2	F455 R459 Y465 S467 L652 L656	F455-L457 HydrophobicContact CE1-CB 4.04Å; F455-L457 HydrophobicContact CZ-CB 4.38Å; L457-R459 HydrophobicContact CD1-CG 3.88Å; L457-R459 VanDerWaalsContact CD1-CZ 3.49Å; L457-R459 HydrophobicContact CG-CG 3.97Å; L457-R459 PolarHBondContact O-N 3.49Å; L457-Y465 HydrophobicContact CD2-CE2 3.99Å; L457-Y465 HydrophobicContact CG-CE2 4.21Å; L457-S467 PolarHBondContact N-O 3.34Å; L457-S467 PolarHBondContact O-N 3.38Å; L457-L652 HydrophobicContact CD2-CD1 4.41Å; L457-L656 HydrophobicContact CD1-CD2 3.98Å; L457-L656 HydrophobicContact CD2-CD2 4.17Å
458	D	96.3	Very high	96.2	Very high	28 Å²	28	25.5 Å²	25.5	15%	0.15	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	105.5	175.3	-164.8	-11.8	0	0	0	109.5	F460 R466 W748 K751	D458-F460 WeakPolarHBondContact OD1-CB 3.4Å; D458-F460 PolarHBondContact OD1-N 2.82Å; D458-R466 WeakPolarHBondContact OD1-CG 3.14Å; D458-R466 IonicContact OD1-NE 3.58Å; D458-R466 PolarHBondContact OD1-NE 2.92Å; D458-R466 VanDerWaalsContact OD1-NE 3.14Å; D458-R466 IonicContact OD2-CZ 2.76Å; D458-R466 IonicContact OD2-NE 3.77Å; D458-R466 PolarHBondContact OD2-NE 2.74Å; D458-R466 IonicContact OD2-NH2 2.77Å; D458-R466 PolarHBondContact OD2-NH2 3.49Å; D458-W748 HydrophobicContact CB-CZ3 4.19Å; D458-K751 IonicContact OD2-NZ 3.66Å; D458-K751 PolarHBondContact OD2-NZ 3.38Å
459	R	95.6	Very high	96.5	Very high	9 Å²	9	22.7 Å²	22.7	3%	0.034	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	24.7	175.6	-65.8	-71.1	-176.7	-98.7	6.2	110	L457 R461 E462 S463 G464 Y465 T655 E660	L457-R459 HydrophobicContact CD1-CG 3.88Å; L457-R459 VanDerWaalsContact CD1-CZ 3.49Å; L457-R459 HydrophobicContact CG-CG 3.97Å; L457-R459 PolarHBondContact O-N 3.49Å; R459-R461 PolarHBondContact O-N 3.2Å; R459-E462 WeakPolarHBondContact CD-OE2 3.37Å; R459-E462 IonicContact CZ-OE2 3.65Å; R459-E462 IonicContact NE-OE2 2.81Å; R459-E462 PolarHBondContact NE-OE2 3.37Å; R459-E462 PolarHBondContact O-N 3.01Å; R459-S463 WeakPolarHBondContact O-CA 3.45Å; R459-S463 PolarHBondContact O-N 3.06Å; R459-G464 PolarHBondContact O-N 2.88Å; R459-G464 VanDerWaalsContact O-N 3.13Å; R459-Y465 CarbonylContact C-O 3.6Å; R459-Y465 VanDerWaalsContact CA-O 3.31Å; R459-Y465 WeakPolarHBondContact CA-O 3.41Å; R459-Y465 HydrophobicContact CB-CD1 4.17Å; R459-Y465 HydrophobicContact CB-CD2 4.32Å; R459-Y465 HydrophobicContact CB-CE1 3.81Å; R459-Y465 HydrophobicContact CB-CE2 3.96Å; R459-Y465 HydrophobicContact CB-CG 4.41Å; R459-Y465 HydrophobicContact CG-CE1 4.28Å; R459-Y465 HydrophobicContact CG-CE2 4.09Å; R459-Y465 PolarHBondContact N-O 3.16Å; R459-T655 PolarHBondContact NH2-OG1 2.91Å; R459-E660 IonicContact NH1-OE1 2.86Å
460	F	93.6	Very high	96.7	Very high	77 Å²	77	22.7 Å²	22.7	34%	0.338	10%	0.099	S	C	.	.	H	α-helix	trans	-60.7	-48.3	-172.3	-165.7	-104.2	0	0	0	111.4	D458 E462 G464 Y465 R466 E486	D458-F460 WeakPolarHBondContact OD1-CB 3.4Å; D458-F460 PolarHBondContact OD1-N 2.82Å; F460-E462 PolarHBondContact O-N 3.38Å; F460-G464 WeakPolarHBondContact O-CA 3.33Å; F460-G464 PolarHBondContact O-N 3.44Å; F460-Y465 PolarHBondContact N-O 3.45Å; F460-R466 HydrophobicContact CB-CG 3.95Å; F460-R466 HydrophobicContact CD2-CG 4.28Å; F460-R466 HydrophobicContact CG-CG 4.49Å; F460-E486 HydrophobicContact CE2-CB 4.3Å
461	R	91.4	Very high	96.7	Very high	210 Å²	210	22.7 Å²	22.7	79%	0.792	10%	0.099	S	C	*	.	H	α-helix	trans	-71.1	-28.5	177.8	-63.9	-172.4	-178.8	-173.5	0.7	114.1	E352 R459	E352-R461 IonicContact OE2-NH1 2.79Å; R459-R461 PolarHBondContact O-N 3.2Å
462	E	91.1	Very high	96.7	Very high	60 Å²	60	22.4 Å²	22.4	28%	0.28	10%	0.098	S	C	.	.	H	α-helix	trans	-88.4	-36.2	-174.5	-76.3	166.4	-145.2	0	0	112.9	V354 R357 R459 F460	V354-E462 HydrophobicContact CG1-CG 3.71Å; R357-E462 IonicContact CZ-OE1 3.68Å; R357-E462 IonicContact NE-OE1 3.95Å; R357-E462 PolarHBondContact NE-OE1 3.25Å; R357-E462 IonicContact NE-OE2 2.65Å; R357-E462 PolarHBondContact NE-OE2 2.86Å; R357-E462 IonicContact NH2-OE1 3.62Å; R357-E462 PolarHBondContact NH2-OE1 3.42Å; R357-E462 IonicContact NH2-OE2 3.45Å; R459-E462 WeakPolarHBondContact CD-OE2 3.37Å; R459-E462 IonicContact CZ-OE2 3.65Å; R459-E462 IonicContact NE-OE2 2.81Å; R459-E462 PolarHBondContact NE-OE2 3.37Å; R459-E462 PolarHBondContact O-N 3.01Å; F460-E462 PolarHBondContact O-N 3.38Å
463	S	93.6	Very high	96.5	Very high	25 Å²	25	24 Å²	24	18%	0.175	11%	0.108	C	C	.	.	H	α-helix	trans	-143.9	-5.2	-164.2	-59.6	0	0	0	0	113.5	Y409 R459	Y409-S463 VanDerWaalsContact CZ-CB 3.5Å; Y409-S463 VanDerWaalsContact OH-CB 3.27Å; Y409-S463 WeakPolarHBondContact OH-CB 3.09Å; Y409-S463 PolarHBondContact OH-OG 3.15Å; R459-S463 WeakPolarHBondContact O-CA 3.45Å; R459-S463 PolarHBondContact O-N 3.06Å
464	G	95.7	Very high	95.9	Very high	2 Å²	2	25.4 Å²	25.4	2%	0.021	12%	0.115	C	C	.	.	S	Bend	trans	81.2	13.9	177.2	0	0	0	0	0	114.8	R459 F460 S485 E486	R459-G464 PolarHBondContact O-N 2.88Å; R459-G464 VanDerWaalsContact O-N 3.13Å; F460-G464 WeakPolarHBondContact O-CA 3.33Å; F460-G464 PolarHBondContact O-N 3.44Å; G464-S485 CarbonylContact O-C 3.59Å; G464-S485 VanDerWaalsContact O-CA 3.25Å; G464-S485 WeakPolarHBondContact O-CA 3.06Å; G464-S485 PolarHBondContact O-OG 2.62Å; G464-E486 PolarHBondContact O-N 3.19Å
465	Y	97.6	Very high	95.2	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.016	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156	-178.9	77.8	-96.2	0	0	0	114	L406 Y409 L457 R459 F460 F484 W489	L406-Y465 HydrophobicContact CB-CE2 4.42Å; L406-Y465 HydrophobicContact CD1-CD2 4.21Å; L406-Y465 HydrophobicContact CD1-CE2 3.81Å; Y409-Y465 HydrophobicContact CD1-CD1 4.24Å; Y409-Y465 AromaticContact CD1-CE1 3.55Å; Y409-Y465 HydrophobicContact CD1-CE1 3.55Å; Y409-Y465 AromaticContact CD2-CD1 3.71Å; Y409-Y465 HydrophobicContact CD2-CD1 3.71Å; Y409-Y465 AromaticContact CD2-CE1 3.89Å; Y409-Y465 HydrophobicContact CD2-CE1 3.89Å; Y409-Y465 HydrophobicContact CE1-CD1 4.45Å; Y409-Y465 AromaticContact CE1-CE1 3.76Å; Y409-Y465 HydrophobicContact CE1-CE1 3.76Å; Y409-Y465 AromaticContact CE2-CD1 3.93Å; Y409-Y465 HydrophobicContact CE2-CD1 3.93Å; Y409-Y465 HydrophobicContact CE2-CE1 4.07Å; Y409-Y465 AromaticContact CG-CD1 3.89Å; Y409-Y465 HydrophobicContact CG-CD1 3.89Å; Y409-Y465 AromaticContact CG-CE1 3.64Å; Y409-Y465 HydrophobicContact CG-CE1 3.64Å; L457-Y465 HydrophobicContact CD2-CE2 3.99Å; L457-Y465 HydrophobicContact CG-CE2 4.21Å; R459-Y465 CarbonylContact C-O 3.6Å; R459-Y465 VanDerWaalsContact CA-O 3.31Å; R459-Y465 WeakPolarHBondContact CA-O 3.41Å; R459-Y465 HydrophobicContact CB-CD1 4.17Å; R459-Y465 HydrophobicContact CB-CD2 4.32Å; R459-Y465 HydrophobicContact CB-CE1 3.81Å; R459-Y465 HydrophobicContact CB-CE2 3.96Å; R459-Y465 HydrophobicContact CB-CG 4.41Å; R459-Y465 HydrophobicContact CG-CE1 4.28Å; R459-Y465 HydrophobicContact CG-CE2 4.09Å; R459-Y465 PolarHBondContact N-O 3.16Å; F460-Y465 PolarHBondContact N-O 3.45Å; Y465-F484 CarbonylContact C-O 3.58Å; Y465-F484 WeakPolarHBondContact CA-O 3.37Å; Y465-F484 VanDerWaalsContact CB-O 3.28Å; Y465-F484 WeakPolarHBondContact CB-O 3.12Å; Y465-W489 HydrophobicContact CG-CH2 4.38Å
466	R	97.9	Very high	94.5	Very high	39 Å²	39	34 Å²	34	15%	0.147	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.5	170.5	-74.9	-179.1	167.6	172.5	-2.9	109.5	D458 F460 A483 F484 W748 E752	D458-R466 WeakPolarHBondContact OD1-CG 3.14Å; D458-R466 IonicContact OD1-NE 3.58Å; D458-R466 PolarHBondContact OD1-NE 2.92Å; D458-R466 VanDerWaalsContact OD1-NE 3.14Å; D458-R466 IonicContact OD2-CZ 2.76Å; D458-R466 IonicContact OD2-NE 3.77Å; D458-R466 PolarHBondContact OD2-NE 2.74Å; D458-R466 IonicContact OD2-NH2 2.77Å; D458-R466 PolarHBondContact OD2-NH2 3.49Å; F460-R466 HydrophobicContact CB-CG 3.95Å; F460-R466 HydrophobicContact CD2-CG 4.28Å; F460-R466 HydrophobicContact CG-CG 4.49Å; R466-A483 CarbonylContact O-C 3.53Å; R466-A483 WeakPolarHBondContact O-CA 3.48Å; R466-F484 HydrophobicContact CB-CD1 4.39Å; R466-F484 HydrophobicContact CB-CE1 3.74Å; R466-F484 HydrophobicContact CB-CE2 4.5Å; R466-F484 HydrophobicContact CB-CZ 3.82Å; R466-F484 HydrophobicContact CG-CZ 4.27Å; R466-F484 PolarHBondContact N-O 2.65Å; R466-F484 PolarHBondContact O-N 2.74Å; R466-W748 HydrophobicContact CB-CH2 3.84Å; R466-W748 HydrophobicContact CB-CZ2 3.61Å; R466-W748 HydrophobicContact CB-CZ3 4.43Å; R466-W748 HydrophobicContact CG-CH2 4.17Å; R466-W748 HydrophobicContact CG-CZ2 4.32Å; R466-W748 HydrophobicContact CG-CZ3 4.3Å; R466-E752 IonicContact CZ-OE1 2.78Å; R466-E752 IonicContact NH1-OE1 2.74Å; R466-E752 PolarHBondContact NH1-OE1 3.43Å; R466-E752 VanDerWaalsContact NH1-OE1 3.09Å; R466-E752 IonicContact NH2-OE1 3.81Å
467	S	98.4	Very high	94	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.5	175.1	161.7	0	0	0	0	110.7	E456 L457 H481 H482 W748	E456-S467 CarbonylContact C-O 3.58Å; E456-S467 WeakPolarHBondContact CA-O 3.34Å; L457-S467 PolarHBondContact N-O 3.34Å; L457-S467 PolarHBondContact O-N 3.38Å; S467-H481 PolarHBondContact OG-CD2 3.02Å; S467-H481 VanDerWaalsContact OG-CD2 3.29Å; S467-H481 PolarHBondContact OG-NE2 3.4Å; S467-H482 CarbonylContact C-O 3.54Å; S467-H482 WeakPolarHBondContact CA-O 3.45Å; S467-W748 WeakPolarHBondContact O-CH2 3.48Å
468	L	98.8	Very high	93.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133	176.6	178.5	65.6	0	0	0	109.5	E456 H481 H482 W727 F728 Y743 Y747 W748	E456-L468 HydrophobicContact CB-CD1 4.46Å; L468-H481 WeakPolarHBondContact O-CA 3.27Å; L468-H482 PolarHBondContact N-O 3.23Å; L468-H482 PolarHBondContact O-N 3.06Å; L468-W727 HydrophobicContact CD2-CB 3.98Å; L468-W727 HydrophobicContact CD2-CG 4.4Å; L468-F728 HydrophobicContact CD2-CE2 4.07Å; L468-F728 HydrophobicContact CD2-CZ 4.4Å; L468-F728 HydrophobicContact CG-CE2 4.12Å; L468-F728 HydrophobicContact CG-CZ 4.3Å; L468-Y743 HydrophobicContact CD2-CD2 3.84Å; L468-Y743 HydrophobicContact CD2-CE2 3.65Å; L468-Y747 HydrophobicContact CD1-CD1 3.89Å; L468-Y747 HydrophobicContact CD1-CD2 3.73Å; L468-Y747 HydrophobicContact CD1-CE1 3.74Å; L468-Y747 HydrophobicContact CD1-CE2 3.58Å; L468-Y747 HydrophobicContact CD1-CG 3.9Å; L468-Y747 HydrophobicContact CD2-CD1 3.97Å; L468-Y747 HydrophobicContact CD2-CD2 3.82Å; L468-Y747 HydrophobicContact CD2-CG 3.51Å; L468-Y747 HydrophobicContact CG-CD1 4.45Å; L468-Y747 HydrophobicContact CG-CD2 4.45Å; L468-Y747 HydrophobicContact CG-CG 4.33Å; L468-W748 HydrophobicContact CB-CZ2 4Å
469	C	98.6	Very high	93.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.5	170.5	-66.9	0	0	0	0	110.7	L399 T454 F455 A480 H481	L399-C469 HydrophobicContact CB-CB 3.82Å; L399-C469 HydrophobicContact CD1-CB 4.46Å; L399-C469 HydrophobicContact CD2-CB 4.15Å; L399-C469 HydrophobicContact CG-CB 4.34Å; T454-C469 CarbonylContact C-O 3.58Å; T454-C469 VanDerWaalsContact CA-O 3.23Å; T454-C469 WeakPolarHBondContact CA-O 3.48Å; F455-C469 HydrophobicContact CB-CB 4.4Å; F455-C469 PolarHBondContact N-O 3.17Å; F455-C469 PolarHBondContact O-N 3.45Å; C469-A480 CarbonylContact C-O 3.56Å; C469-A480 WeakPolarHBondContact CA-O 3.26Å; C469-H481 PolarHBondContact SG-CD2 2.88Å; C469-H481 VanDerWaalsContact SG-CG 3.55Å
470	E	98.6	Very high	93.9	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	138.3	169.1	-174.6	-179.7	166.3	0	0	110.1	E453 T454 V472 A479 A480 Y723 A725 L726 W727 F728	E453-E470 WeakPolarHBondContact O-CA 3.31Å; T454-E470 HydrophobicContact CG2-CB 4.37Å; T454-E470 HydrophobicContact CG2-CG 4.18Å; E470-V472 HydrophobicContact CB-CG1 4.18Å; E470-V472 HydrophobicContact CG-CG1 4.23Å; E470-V472 PolarHBondContact O-N 3.38Å; E470-V472 VanDerWaalsContact O-N 3.14Å; E470-A479 WeakPolarHBondContact O-CA 3.47Å; E470-A480 PolarHBondContact N-O 3.02Å; E470-A480 PolarHBondContact O-N 3.33Å; E470-Y723 PolarHBondContact OE1-OH 2.73Å; E470-A725 VanDerWaalsContact OE1-CA 3.25Å; E470-A725 WeakPolarHBondContact OE1-CA 3.5Å; E470-A725 WeakPolarHBondContact OE1-CB 3.06Å; E470-L726 PolarHBondContact OE1-N 3.14Å; E470-L726 PolarHBondContact OE2-N 3.29Å; E470-W727 PolarHBondContact OE2-N 2.79Å; E470-F728 HydrophobicContact CB-CD2 3.6Å; E470-F728 HydrophobicContact CB-CE2 3.6Å; E470-F728 WeakPolarHBondContact OE2-CD2 3.45Å
471	Q	97.8	Very high	94.1	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.019	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	95.3	167.7	-171.4	73.4	23.6	0	0	109.6	L399 P449 L450 G452 E453 S473 A478	L399-Q471 HydrophobicContact CD2-CB 4.44Å; P449-Q471 HydrophobicContact CB-CB 3.91Å; P449-Q471 HydrophobicContact CB-CG 4.01Å; P449-Q471 VanDerWaalsContact CG-OE1 3.31Å; L450-Q471 WeakPolarHBondContact O-CB 3.39Å; L450-Q471 WeakPolarHBondContact O-CG 3.25Å; G452-Q471 PolarHBondContact N-O 3.32Å; E453-Q471 PolarHBondContact O-N 3.41Å; Q471-S473 PolarHBondContact NE2-O 3.38Å; Q471-A478 PolarHBondContact NE2-O 3.35Å
472	V	95.7	Very high	94.4	Very high	8 Å²	8	21 Å²	21	5%	0.048	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-17	-173.2	-61.2	0	0	0	0	113.9	E470 A478 A480 A725 F728 H741	E470-V472 HydrophobicContact CB-CG1 4.18Å; E470-V472 HydrophobicContact CG-CG1 4.23Å; E470-V472 PolarHBondContact O-N 3.38Å; E470-V472 VanDerWaalsContact O-N 3.14Å; V472-A478 HydrophobicContact CG2-CB 4.15Å; V472-A478 PolarHBondContact N-O 3.39Å; V472-A480 HydrophobicContact CG1-CB 3.57Å; V472-A480 HydrophobicContact CG2-CB 4.22Å; V472-A725 HydrophobicContact CB-CB 4.12Å; V472-A725 HydrophobicContact CG1-CB 3.64Å; V472-F728 HydrophobicContact CG1-CB 4.26Å; V472-H741 HydrophobicContact CG1-CB 4.39Å; V472-H741 HydrophobicContact CG2-CB 4.49Å
473	S	92.4	Very high	94.8	Very high	35 Å²	35	18.1 Å²	18.1	25%	0.245	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	148.7	174.5	176	0	0	0	0	111.2	Q471 P476 P477 A478	Q471-S473 PolarHBondContact NE2-O 3.38Å; S473-P476 CarbonylContact C-O 3.59Å; S473-P476 WeakPolarHBondContact CB-O 3.33Å; S473-P476 PolarHBondContact OG-O 3.41Å; S473-P477 CarbonylContact O-C 3.58Å; S473-P477 VanDerWaalsContact O-CA 3.32Å; S473-P477 WeakPolarHBondContact O-CA 3.43Å; S473-A478 PolarHBondContact N-O 3.37Å; S473-A478 PolarHBondContact O-N 3.02Å
474	H	86.9	Confident	95	Very high	31 Å²	31	19.7 Å²	19.7	14%	0.144	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-24.4	176.2	-165.2	70.8	0	0	0	113.3	N448 L451 P476 P477 Q696	N448-H474 PolarHBondContact ND2-CE1 2.96Å; N448-H474 VanDerWaalsContact ND2-CE1 3.34Å; L451-H474 HydrophobicContact CB-CB 4.29Å; L451-H474 HydrophobicContact CD1-CB 4.29Å; H474-P476 VanDerWaalsContact C-C 3.42Å; H474-P476 CarbonylContact C-O 3.46Å; H474-P476 CarbonylContact O-C 3.59Å; H474-P477 WeakPolarHBondContact O-CD 3.32Å; H474-Q696 PolarHBondContact CE1-NE2 3.38Å; H474-Q696 PolarHBondContact NE2-NE2 3.41Å; H474-Q696 VanDerWaalsContact NE2-NE2 3.18Å
475	H	83.1	Confident	95.1	Very high	100 Å²	100	20 Å²	20	46%	0.463	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.9	93.3	-179.8	-65	-48.2	0	0	0	112	R700	H475-R700 VanDerWaalsContact CD2-CZ 3.5Å; H475-R700 PolarHBondContact CD2-NH1 3.28Å; H475-R700 PolarHBondContact NE2-NH1 3.43Å
476	P	84.4	Confident	95.1	Very high	80 Å²	80	26 Å²	26	52%	0.519	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	cis	-70.4	155.3	-4	31.1	-35.3	0	0	0	112.3	S473 H474 A478 T496	S473-P476 CarbonylContact C-O 3.59Å; S473-P476 WeakPolarHBondContact CB-O 3.33Å; S473-P476 PolarHBondContact OG-O 3.41Å; H474-P476 VanDerWaalsContact C-C 3.42Å; H474-P476 CarbonylContact C-O 3.46Å; H474-P476 CarbonylContact O-C 3.59Å; P476-A478 PolarHBondContact O-N 2.75Å; P476-T496 HydrophobicContact CB-CG2 4.19Å
477	P	88.1	Confident	95	Very high	21 Å²	21	27.9 Å²	27.9	14%	0.136	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	120.3	179.6	27.4	-33.4	0	0	0	110.6	S473 H474 T496	S473-P477 CarbonylContact O-C 3.58Å; S473-P477 VanDerWaalsContact O-CA 3.32Å; S473-P477 WeakPolarHBondContact O-CA 3.43Å; H474-P477 WeakPolarHBondContact O-CD 3.32Å; P477-T496 WeakPolarHBondContact O-CA 3.32Å; P477-T496 WeakPolarHBondContact O-CG2 3.47Å; P477-T496 PolarHBondContact O-OG1 3.36Å
478	A	93.6	Very high	95	Very high	3 Å²	3	28.3 Å²	28.3	3%	0.025	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.2	176.3	0	0	0	0	0	110.8	Q471 V472 S473 P476 E494 I495 T496	Q471-A478 PolarHBondContact NE2-O 3.35Å; V472-A478 HydrophobicContact CG2-CB 4.15Å; V472-A478 PolarHBondContact N-O 3.39Å; S473-A478 PolarHBondContact N-O 3.37Å; S473-A478 PolarHBondContact O-N 3.02Å; P476-A478 PolarHBondContact O-N 2.75Å; A478-E494 HydrophobicContact CB-CG 4.47Å; A478-I495 WeakPolarHBondContact CA-O 3.41Å; A478-T496 WeakPolarHBondContact CB-OG1 3.44Å
479	A	96.6	Very high	95	Very high	3 Å²	3	28.3 Å²	28.3	3%	0.025	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.9	175	0	0	0	0	0	109.7	L399 L402 E470 E494 I495	L399-A479 HydrophobicContact CD2-CB 3.6Å; L402-A479 HydrophobicContact CD2-CB 4.18Å; E470-A479 WeakPolarHBondContact O-CA 3.47Å; A479-E494 WeakPolarHBondContact O-CA 3.44Å; A479-I495 HydrophobicContact CB-CG2 4.27Å; A479-I495 PolarHBondContact N-O 3.48Å; A479-I495 PolarHBondContact O-N 3.05Å
480	A	97.5	Very high	94.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	142.3	169.8	0	0	0	0	0	109.2	C469 E470 V472 F728 H741	C469-A480 CarbonylContact C-O 3.56Å; C469-A480 WeakPolarHBondContact CA-O 3.26Å; E470-A480 PolarHBondContact N-O 3.02Å; E470-A480 PolarHBondContact O-N 3.33Å; V472-A480 HydrophobicContact CG1-CB 3.57Å; V472-A480 HydrophobicContact CG2-CB 4.22Å; A480-F728 HydrophobicContact CB-CB 4.34Å; A480-F728 HydrophobicContact CB-CD1 3.46Å; A480-F728 VanDerWaalsContact CB-CD1 3.46Å; A480-F728 HydrophobicContact CB-CD2 4.14Å; A480-F728 HydrophobicContact CB-CE1 3.68Å; A480-F728 HydrophobicContact CB-CE2 4.34Å; A480-F728 HydrophobicContact CB-CG 3.72Å; A480-F728 HydrophobicContact CB-CZ 4.13Å; A480-H741 HydrophobicContact CB-CB 3.63Å
481	H	98.3	Very high	94.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	133.1	179.1	170.9	-154.8	0	0	0	109.5	L402 S467 L468 C469 R492 Q493	L402-H481 HydrophobicContact CD2-CB 3.56Å; L402-H481 HydrophobicContact CG-CB 4.11Å; S467-H481 PolarHBondContact OG-CD2 3.02Å; S467-H481 VanDerWaalsContact OG-CD2 3.29Å; S467-H481 PolarHBondContact OG-NE2 3.4Å; L468-H481 WeakPolarHBondContact O-CA 3.27Å; C469-H481 PolarHBondContact SG-CD2 2.88Å; C469-H481 VanDerWaalsContact SG-CG 3.55Å; H481-R492 CarbonylContact O-C 3.56Å; H481-R492 VanDerWaalsContact O-CA 3.3Å; H481-R492 WeakPolarHBondContact O-CA 3.29Å; H481-Q493 HydrophobicContact CB-CG 3.75Å; H481-Q493 PolarHBondContact N-O 2.92Å; H481-Q493 PolarHBondContact ND1-NE2 2.97Å; H481-Q493 VanDerWaalsContact ND1-NE2 3.1Å; H481-Q493 PolarHBondContact O-N 3.22Å
482	H	98.6	Very high	94.8	Very high	25 Å²	25	31 Å²	31	12%	0.116	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.9	174.9	178.9	73.9	0	0	0	109.6	S467 L468 F484 T490 L491 F728 Y743	S467-H482 CarbonylContact C-O 3.54Å; S467-H482 WeakPolarHBondContact CA-O 3.45Å; L468-H482 PolarHBondContact N-O 3.23Å; L468-H482 PolarHBondContact O-N 3.06Å; H482-F484 AromaticContact NE2-CD1 3.94Å; H482-T490 VanDerWaalsContact CE1-CG2 3.46Å; H482-T490 WeakPolarHBondContact CE1-CG2 3.44Å; H482-L491 CarbonylContact C-O 3.55Å; H482-L491 WeakPolarHBondContact CA-O 3.49Å; H482-F728 HydrophobicContact CB-CE1 3.83Å; H482-F728 HydrophobicContact CB-CZ 4.12Å; H482-Y743 HydrophobicContact CB-CG 4.42Å; H482-Y743 AromaticContact CD2-CD1 3.52Å; H482-Y743 AromaticContact CD2-CG 3.72Å; H482-Y743 VanDerWaalsContact CG-CB 3.49Å; H482-Y743 AromaticContact NE2-CD1 3.72Å
483	A	98.6	Very high	94.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	144.5	173.8	0	0	0	0	0	110.4	L406 R466 W489 T490 L491	L406-A483 HydrophobicContact CD1-CB 3.88Å; L406-A483 HydrophobicContact CD2-CB 4.36Å; R466-A483 CarbonylContact O-C 3.53Å; R466-A483 WeakPolarHBondContact O-CA 3.48Å; A483-W489 HydrophobicContact CB-CZ3 4.18Å; A483-T490 CarbonylContact O-C 3.54Å; A483-T490 WeakPolarHBondContact O-CA 3.38Å; A483-L491 HydrophobicContact CB-CB 4.32Å; A483-L491 PolarHBondContact N-O 3.16Å; A483-L491 PolarHBondContact O-N 3.14Å; A483-L491 VanDerWaalsContact O-O 3.14Å
484	F	98.3	Very high	94.9	Very high	58 Å²	58	30.9 Å²	30.9	25%	0.254	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	152.9	176.7	68.9	-87.9	0	0	0	110.5	Y465 R466 H482 W489 W748	Y465-F484 CarbonylContact C-O 3.58Å; Y465-F484 WeakPolarHBondContact CA-O 3.37Å; Y465-F484 VanDerWaalsContact CB-O 3.28Å; Y465-F484 WeakPolarHBondContact CB-O 3.12Å; R466-F484 HydrophobicContact CB-CD1 4.39Å; R466-F484 HydrophobicContact CB-CE1 3.74Å; R466-F484 HydrophobicContact CB-CE2 4.5Å; R466-F484 HydrophobicContact CB-CZ 3.82Å; R466-F484 HydrophobicContact CG-CZ 4.27Å; R466-F484 PolarHBondContact N-O 2.65Å; R466-F484 PolarHBondContact O-N 2.74Å; H482-F484 AromaticContact NE2-CD1 3.94Å; F484-W489 WeakPolarHBondContact CA-O 3.27Å; F484-W748 AromaticContact CE1-NE1 3.62Å
485	S	98.1	Very high	95.2	Very high	7 Å²	7	30 Å²	30	5%	0.049	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.1	-179.8	173.6	0	0	0	0	111.6	G464 K487 G488 W489	G464-S485 CarbonylContact O-C 3.59Å; G464-S485 VanDerWaalsContact O-CA 3.25Å; G464-S485 WeakPolarHBondContact O-CA 3.06Å; G464-S485 PolarHBondContact O-OG 2.62Å; S485-K487 PolarHBondContact O-N 3.02Å; S485-K487 VanDerWaalsContact O-N 3.08Å; S485-K487 WeakPolarHBondContact OG-CB 3.26Å; S485-K487 PolarHBondContact OG-N 3.18Å; S485-K487 VanDerWaalsContact OG-N 3.12Å; S485-G488 PolarHBondContact O-N 3.08Å; S485-W489 VanDerWaalsContact CB-CZ2 3.44Å; S485-W489 VanDerWaalsContact CB-NE1 3.33Å; S485-W489 PolarHBondContact N-O 3.31Å; S485-W489 PolarHBondContact OG-NE1 3.47Å
486	E	97.2	Very high	95.7	Very high	131 Å²	131	26.6 Å²	26.6	61%	0.612	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.1	171.2	72	-179.2	-179.7	0	0	112.7	F460 G464 G488	F460-E486 HydrophobicContact CE2-CB 4.3Å; G464-E486 PolarHBondContact O-N 3.19Å; E486-G488 PolarHBondContact O-N 3.16Å
487	K	96.6	Very high	95.9	Very high	79 Å²	79	25.4 Å²	25.4	34%	0.343	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.3	175.4	-64	170.2	-173.9	170.6	0	113	D413 A416 S485	D413-K487 HydrophobicContact CB-CD 3.84Å; D413-K487 VanDerWaalsContact OD1-CD 3.25Å; D413-K487 WeakPolarHBondContact OD1-CD 3.48Å; D413-K487 WeakPolarHBondContact OD2-CD 3.27Å; D413-K487 WeakPolarHBondContact OD2-CE 3.43Å; D413-K487 IonicContact OD2-NZ 2.63Å; D413-K487 PolarHBondContact OD2-NZ 3.37Å; A416-K487 WeakPolarHBondContact CB-O 3.15Å; S485-K487 PolarHBondContact O-N 3.02Å; S485-K487 VanDerWaalsContact O-N 3.08Å; S485-K487 WeakPolarHBondContact OG-CB 3.26Å; S485-K487 PolarHBondContact OG-N 3.18Å; S485-K487 VanDerWaalsContact OG-N 3.12Å
488	G	96.9	Very high	95.9	Very high	8 Å²	8	25.5 Å²	25.5	8%	0.082	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	36.1	166.8	0	0	0	0	0	114.4	S485 E486 F518 D519	S485-G488 PolarHBondContact O-N 3.08Å; E486-G488 PolarHBondContact O-N 3.16Å; G488-F518 WeakPolarHBondContact O-CA 3.43Å; G488-D519 VanDerWaalsContact CA-OD2 3.25Å; G488-D519 WeakPolarHBondContact CA-OD2 3.45Å; G488-D519 PolarHBondContact O-N 2.92Å
489	W	98.5	Very high	95.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.3	167.8	60.8	-100.7	0	0	0	111.1	L406 Y409 L412 D413 Y465 A483 F484 S485 L491 M517 F518	L406-W489 HydrophobicContact CD2-CH2 3.96Å; L406-W489 HydrophobicContact CD2-CZ3 4.28Å; Y409-W489 HydrophobicContact CD2-CZ2 4.25Å; L412-W489 HydrophobicContact CB-CD2 3.85Å; L412-W489 HydrophobicContact CB-CG 3.84Å; L412-W489 HydrophobicContact CB-CZ2 4.49Å; L412-W489 HydrophobicContact CD1-CD2 3.89Å; L412-W489 HydrophobicContact CD1-CE3 3.75Å; L412-W489 HydrophobicContact CD1-CH2 4.34Å; L412-W489 HydrophobicContact CD1-CZ2 4.43Å; L412-W489 HydrophobicContact CD1-CZ3 4Å; D413-W489 PolarHBondContact OD1-NE1 3.21Å; Y465-W489 HydrophobicContact CG-CH2 4.38Å; A483-W489 HydrophobicContact CB-CZ3 4.18Å; F484-W489 WeakPolarHBondContact CA-O 3.27Å; S485-W489 VanDerWaalsContact CB-CZ2 3.44Å; S485-W489 VanDerWaalsContact CB-NE1 3.33Å; S485-W489 PolarHBondContact N-O 3.31Å; S485-W489 PolarHBondContact OG-NE1 3.47Å; W489-L491 HydrophobicContact CE3-CB 4.41Å; W489-L491 HydrophobicContact CZ3-CB 4.2Å; W489-M517 CarbonylContact C-O 3.6Å; W489-M517 VanDerWaalsContact CA-O 3.26Å; W489-M517 WeakPolarHBondContact CA-O 3.48Å; W489-F518 HydrophobicContact CB-CD1 3.78Å; W489-F518 HydrophobicContact CB-CE1 3.74Å
490	T	98.4	Very high	94.8	Very high	29 Å²	29	31.6 Å²	31.6	18%	0.178	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126	175.5	-62.9	0	0	0	0	109.3	H482 A483 C516 M517	H482-T490 VanDerWaalsContact CE1-CG2 3.46Å; H482-T490 WeakPolarHBondContact CE1-CG2 3.44Å; A483-T490 CarbonylContact O-C 3.54Å; A483-T490 WeakPolarHBondContact O-CA 3.38Å; T490-C516 CarbonylContact O-C 3.53Å; T490-C516 WeakPolarHBondContact O-CA 3.17Å; T490-M517 HydrophobicContact CG2-CE 3.72Å; T490-M517 PolarHBondContact N-O 2.8Å; T490-M517 WeakPolarHBondContact O-CE 3.4Å; T490-M517 PolarHBondContact O-N 3.41Å
491	L	98	Very high	93.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.2	174.8	-170.5	77.8	0	0	0	109.1	L406 F431 H482 A483 W489 I514 Q515 C516 W527	L406-L491 HydrophobicContact CD2-CD2 4.06Å; F431-L491 HydrophobicContact CE1-CD1 4.21Å; F431-L491 HydrophobicContact CE1-CD2 4.43Å; F431-L491 HydrophobicContact CZ-CD2 4.25Å; H482-L491 CarbonylContact C-O 3.55Å; H482-L491 WeakPolarHBondContact CA-O 3.49Å; A483-L491 HydrophobicContact CB-CB 4.32Å; A483-L491 PolarHBondContact N-O 3.16Å; A483-L491 PolarHBondContact O-N 3.14Å; A483-L491 VanDerWaalsContact O-O 3.14Å; W489-L491 HydrophobicContact CE3-CB 4.41Å; W489-L491 HydrophobicContact CZ3-CB 4.2Å; L491-I514 HydrophobicContact CD1-CG2 3.61Å; L491-I514 HydrophobicContact CG-CG2 4.33Å; L491-Q515 CarbonylContact C-O 3.58Å; L491-Q515 WeakPolarHBondContact CA-O 3.26Å; L491-C516 HydrophobicContact CD1-CB 4.02Å; L491-W527 HydrophobicContact CD1-CH2 3.91Å; L491-W527 HydrophobicContact CD1-CZ2 4.31Å
492	R	96	Very high	93	Very high	33 Å²	33	38 Å²	38	13%	0.125	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.1	169.8	66.4	-174.3	-175.1	-178	4.2	110.9	H481 Q515 M517 D733 L740	H481-R492 CarbonylContact O-C 3.56Å; H481-R492 VanDerWaalsContact O-CA 3.3Å; H481-R492 WeakPolarHBondContact O-CA 3.29Å; R492-Q515 HydrophobicContact CG-CB 3.87Å; R492-Q515 PolarHBondContact N-O 3.36Å; R492-Q515 PolarHBondContact O-N 3.06Å; R492-M517 HydrophobicContact CG-CE 3.89Å; R492-D733 IonicContact NH2-OD1 2.95Å; R492-D733 PolarHBondContact NH2-OD1 3.4Å; R492-L740 HydrophobicContact CG-CD1 4.36Å
493	Q	94.9	Very high	91.8	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	151.2	176.7	61.2	179.8	-54.7	0	0	110.9	D405 H481 I514	D405-Q493 PolarHBondContact OD2-NE2 3.45Å; H481-Q493 HydrophobicContact CB-CG 3.75Å; H481-Q493 PolarHBondContact N-O 2.92Å; H481-Q493 PolarHBondContact ND1-NE2 2.97Å; H481-Q493 VanDerWaalsContact ND1-NE2 3.1Å; H481-Q493 PolarHBondContact O-N 3.22Å; Q493-I514 HydrophobicContact CB-CB 4.29Å; Q493-I514 HydrophobicContact CB-CG1 3.89Å; Q493-I514 HydrophobicContact CB-CG2 4.34Å
494	E	94.1	Very high	90.8	Very high	37 Å²	37	42.5 Å²	42.5	17%	0.173	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.9	161.5	178.7	-179.3	149.1	0	0	107.4	A478 A479 G512 L740 H741	A478-E494 HydrophobicContact CB-CG 4.47Å; A479-E494 WeakPolarHBondContact O-CA 3.44Å; E494-G512 WeakPolarHBondContact O-CA 3.17Å; E494-L740 HydrophobicContact CB-CB 4.21Å; E494-L740 VanDerWaalsContact OE2-CA 3.31Å; E494-L740 WeakPolarHBondContact OE2-CA 3.32Å; E494-H741 IonicContact OE1-ND1 3.69Å; E494-H741 IonicContact OE2-CE1 3.77Å; E494-H741 IonicContact OE2-CG 3.51Å; E494-H741 PolarHBondContact OE2-N 3.22Å; E494-H741 IonicContact OE2-ND1 2.7Å; E494-H741 PolarHBondContact OE2-ND1 2.96Å
495	I	93.6	Very high	90.2	Very high	13 Å²	13	41.9 Å²	41.9	7%	0.067	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.8	-176	-164	168.5	0	0	0	111.4	L402 A478 A479 L497 P510 L511 K529	L402-I495 HydrophobicContact CD1-CD1 4.39Å; L402-I495 HydrophobicContact CD1-CG2 3.93Å; L402-I495 HydrophobicContact CD2-CG2 3.75Å; L402-I495 HydrophobicContact CG-CG2 4.48Å; A478-I495 WeakPolarHBondContact CA-O 3.41Å; A479-I495 HydrophobicContact CB-CG2 4.27Å; A479-I495 PolarHBondContact N-O 3.48Å; A479-I495 PolarHBondContact O-N 3.05Å; I495-L497 HydrophobicContact CD1-CD2 4.3Å; I495-L497 HydrophobicContact CG1-CD2 4.4Å; I495-P510 HydrophobicContact CD1-CB 3.78Å; I495-P510 HydrophobicContact CG1-CB 4.19Å; I495-L511 WeakPolarHBondContact CA-O 3.12Å; I495-K529 HydrophobicContact CD1-CD 4.37Å
496	T	92.9	Very high	89.6	Confident	28 Å²	28	42.7 Å²	42.7	17%	0.172	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.5	169.4	-67.6	0	0	0	0	108.6	P476 P477 A478 L511	P476-T496 HydrophobicContact CB-CG2 4.19Å; P477-T496 WeakPolarHBondContact O-CA 3.32Å; P477-T496 WeakPolarHBondContact O-CG2 3.47Å; P477-T496 PolarHBondContact O-OG1 3.36Å; A478-T496 WeakPolarHBondContact CB-OG1 3.44Å; T496-L511 PolarHBondContact N-O 2.92Å; T496-L511 WeakPolarHBondContact O-CB 3.45Å; T496-L511 PolarHBondContact O-N 2.84Å
497	L	89.6	Confident	89.3	Confident	55 Å²	55	36.8 Å²	36.8	29%	0.288	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	110.5	178.5	-66.6	-177.6	0	0	0	111.1	M398 I495 I508 P510	M398-L497 HydrophobicContact CE-CD1 3.84Å; M398-L497 HydrophobicContact CG-CD1 4.18Å; M398-L497 HydrophobicContact SD-CD1 3.57Å; M398-L497 VanDerWaalsContact SD-CD1 3.57Å; I495-L497 HydrophobicContact CD1-CD2 4.3Å; I495-L497 HydrophobicContact CG1-CD2 4.4Å; L497-I508 HydrophobicContact CD2-CG2 4.34Å; L497-P510 HydrophobicContact CD2-CB 3.94Å
498	A	87.8	Confident	89	Confident	24 Å²	24	35.3 Å²	35.3	20%	0.198	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	145	167	0	0	0	0	0	110.1	M509 L511	A498-M509 HydrophobicContact CB-CB 4.3Å; A498-M509 HydrophobicContact CB-CE 4.12Å; A498-M509 PolarHBondContact N-O 3.27Å; A498-M509 PolarHBondContact O-N 2.92Å; A498-L511 HydrophobicContact CB-CD1 4.01Å; A498-L511 HydrophobicContact CB-CG 4.37Å
499	S	85	Confident	88.8	Confident	26 Å²	26	37.7 Å²	37.7	18%	0.182	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	138.8	179.1	54.4	0	0	0	0	111.3	S507	S499-S507 CarbonylContact C-O 3.5Å; S499-S507 WeakPolarHBondContact CA-O 2.81Å
500	K	82.2	Confident	88.6	Confident	107 Å²	107	38.6 Å²	38.6	47%	0.465	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	117.2	-179.3	-172.3	172.2	-178.7	172.2	0	110.8	R502 S507 M509	K500-R502 HydrophobicContact CD-CG 4.5Å; K500-R502 HydrophobicContact CG-CG 4.21Å; K500-S507 PolarHBondContact N-O 3.09Å; K500-S507 PolarHBondContact O-N 3.39Å; K500-M509 HydrophobicContact CB-CE 4.12Å
501	F	79.6	Confident	88.3	Confident	11 Å²	11	41.6 Å²	41.6	5%	0.048	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.6	171.4	-176.9	-115.4	0	0	0	111	W372 M375 I379 L383 G503 I537 I538	W372-F501 HydrophobicContact CZ3-CE1 4.49Å; W372-F501 HydrophobicContact CZ3-CZ 4.12Å; M375-F501 HydrophobicContact CE-CB 4.32Å; M375-F501 HydrophobicContact CE-CD2 3.22Å; M375-F501 HydrophobicContact CE-CE2 3.51Å; M375-F501 HydrophobicContact CE-CG 3.82Å; M375-F501 HydrophobicContact CE-CZ 4.31Å; I379-F501 HydrophobicContact CB-CD1 4.41Å; I379-F501 HydrophobicContact CB-CE1 4.46Å; I379-F501 HydrophobicContact CD1-CE1 4.35Å; I379-F501 HydrophobicContact CG1-CD1 4.2Å; I379-F501 HydrophobicContact CG1-CE1 3.81Å; I379-F501 HydrophobicContact CG2-CD1 4.42Å; I379-F501 HydrophobicContact CG2-CE1 4.49Å; L383-F501 HydrophobicContact CD1-CB 4.09Å; F501-G503 WeakPolarHBondContact CE2-O 2.88Å; F501-G503 WeakPolarHBondContact CZ-O 3.45Å; F501-I537 HydrophobicContact CD2-CG2 4.25Å; F501-I537 HydrophobicContact CE2-CB 3.98Å; F501-I537 HydrophobicContact CE2-CG1 4.5Å; F501-I537 HydrophobicContact CE2-CG2 3.47Å; F501-I537 VanDerWaalsContact CE2-CG2 3.47Å; F501-I537 HydrophobicContact CZ-CG2 4.24Å; F501-I538 HydrophobicContact CZ-CD1 4.38Å; F501-I538 HydrophobicContact CZ-CG1 4.3Å
502	R	78.1	Confident	87.9	Confident	123 Å²	123	43 Å²	43	46%	0.464	22%	0.222	S	C	.	.			trans	-121.8	37	-178.1	-68.1	176.2	174.7	-141.4	9.3	111.8	K500 K504 Y505	K500-R502 HydrophobicContact CD-CG 4.5Å; K500-R502 HydrophobicContact CG-CG 4.21Å; R502-K504 PolarHBondContact O-N 3.14Å; R502-K504 VanDerWaalsContact O-N 3.15Å; R502-Y505 HydrophobicContact CB-CD2 3.96Å; R502-Y505 HydrophobicContact CB-CE1 4.33Å; R502-Y505 HydrophobicContact CB-CE2 3.58Å; R502-Y505 HydrophobicContact CB-CG 4.5Å; R502-Y505 HydrophobicContact CG-CE2 4.04Å; R502-Y505 PolarHBondContact N-O 2.95Å
503	G	74.6	Confident	87.7	Confident	24 Å²	24	42 Å²	42	25%	0.247	22%	0.22	C	C	.	.	S	Bend	trans	80.9	-88.6	-178.8	0	0	0	0	0	111.9	F501 Y505 I538	F501-G503 WeakPolarHBondContact CE2-O 2.88Å; F501-G503 WeakPolarHBondContact CZ-O 3.45Å; G503-Y505 VanDerWaalsContact C-N 3.31Å; G503-Y505 PolarHBondContact O-N 3.23Å; G503-I538 WeakPolarHBondContact O-CD1 3.43Å; G503-I538 VanDerWaalsContact O-CG1 3.26Å; G503-I538 WeakPolarHBondContact O-CG1 3.23Å
504	K	76.9	Confident	87.7	Confident	97 Å²	97	42.2 Å²	42.2	42%	0.422	22%	0.221	S	C	.	.	S	Bend	trans	-73.6	-24.7	-176.2	-175.5	175.6	178.6	-177.5	0	113.4	R502 N536 I537	R502-K504 PolarHBondContact O-N 3.14Å; R502-K504 VanDerWaalsContact O-N 3.15Å; K504-N536 WeakPolarHBondContact CE-OD1 3.27Å; K504-N536 PolarHBondContact O-N 2.78Å; K504-N536 VanDerWaalsContact O-N 3.17Å; K504-I537 PolarHBondContact O-N 2.91Å; K504-I537 VanDerWaalsContact O-N 3.09Å
505	Y	84.7	Confident	87.8	Confident	45 Å²	45	40.5 Å²	40.5	18%	0.176	21%	0.213	C	C	.	.			trans	-134.5	153.2	-172.5	52.8	-86	0	0	0	112.6	R502 G503 T533 V534	R502-Y505 HydrophobicContact CB-CD2 3.96Å; R502-Y505 HydrophobicContact CB-CE1 4.33Å; R502-Y505 HydrophobicContact CB-CE2 3.58Å; R502-Y505 HydrophobicContact CB-CG 4.5Å; R502-Y505 HydrophobicContact CG-CE2 4.04Å; R502-Y505 PolarHBondContact N-O 2.95Å; G503-Y505 VanDerWaalsContact C-N 3.31Å; G503-Y505 PolarHBondContact O-N 3.23Å; Y505-T533 HydrophobicContact CD2-CG2 3.91Å; Y505-T533 HydrophobicContact CG-CG2 4.14Å; Y505-V534 CarbonylContact C-O 3.51Å; Y505-V534 VanDerWaalsContact CA-O 3.23Å; Y505-V534 WeakPolarHBondContact CA-O 3.5Å; Y505-V534 WeakPolarHBondContact CB-O 3.39Å
506	L	86.1	Confident	88	Confident	23 Å²	23	39.9 Å²	39.9	12%	0.12	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117	173	169	55.6	0	0	0	108.6	L383 I508 T533 V534 I537	L383-L506 HydrophobicContact CD1-CD1 3.14Å; L383-L506 HydrophobicContact CD1-CD2 3.86Å; L383-L506 HydrophobicContact CD1-CG 4.1Å; L506-I508 HydrophobicContact CG-CG1 4.25Å; L506-T533 WeakPolarHBondContact O-CA 3.46Å; L506-V534 HydrophobicContact CB-CB 4.28Å; L506-V534 PolarHBondContact N-O 2.72Å; L506-V534 PolarHBondContact O-N 3.1Å; L506-I537 HydrophobicContact CB-CD1 3.85Å; L506-I537 HydrophobicContact CB-CG1 3.92Å
507	S	90.2	Very high	88.2	Confident	8 Å²	8	40.5 Å²	40.5	6%	0.056	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.9	173.5	-58.4	0	0	0	0	110.1	S499 K500	S499-S507 CarbonylContact C-O 3.5Å; S499-S507 WeakPolarHBondContact CA-O 2.81Å; K500-S507 PolarHBondContact N-O 3.09Å; K500-S507 PolarHBondContact O-N 3.39Å
508	I	91.4	Very high	88.6	Confident	47 Å²	47	38 Å²	38	24%	0.241	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.4	175.4	-55.4	169.4	0	0	0	107	L497 L506 P510 T531 T532 V534	L497-I508 HydrophobicContact CD2-CG2 4.34Å; L506-I508 HydrophobicContact CG-CG1 4.25Å; I508-P510 WeakPolarHBondContact O-CD 3.37Å; I508-T531 WeakPolarHBondContact O-CA 3.32Å; I508-T532 PolarHBondContact N-O 2.95Å; I508-T532 PolarHBondContact O-N 2.85Å; I508-V534 HydrophobicContact CD1-CG2 4.09Å
509	M	92.5	Very high	89.1	Confident	58 Å²	58	41.9 Å²	41.9	29%	0.286	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	100.2	-173.6	-64.7	169.4	-63.3	0	0	108.3	A498 K500 L511 T531	A498-M509 HydrophobicContact CB-CB 4.3Å; A498-M509 HydrophobicContact CB-CE 4.12Å; A498-M509 PolarHBondContact N-O 3.27Å; A498-M509 PolarHBondContact O-N 2.92Å; K500-M509 HydrophobicContact CB-CE 4.12Å; M509-L511 PolarHBondContact O-N 3.25Å; M509-T531 HydrophobicContact CG-CG2 4.05Å
510	P	93.3	Very high	89.6	Confident	19 Å²	19	49 Å²	49	12%	0.123	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	125.9	170.4	27.7	-32.6	0	0	0	110.1	I495 L497 I508 K529 V530	I495-P510 HydrophobicContact CD1-CB 3.78Å; I495-P510 HydrophobicContact CG1-CB 4.19Å; L497-P510 HydrophobicContact CD2-CB 3.94Å; I508-P510 WeakPolarHBondContact O-CD 3.37Å; P510-K529 HydrophobicContact CB-CB 3.89Å; P510-K529 HydrophobicContact CB-CD 4.48Å; P510-K529 HydrophobicContact CG-CB 3.32Å; P510-K529 HydrophobicContact CG-CD 4.45Å; P510-K529 HydrophobicContact CG-CG 4.45Å; P510-V530 VanDerWaalsContact CD-O 3.27Å; P510-V530 WeakPolarHBondContact CD-O 3.01Å; P510-V530 VanDerWaalsContact CG-O 3.26Å; P510-V530 WeakPolarHBondContact CG-O 3.31Å
511	L	92.1	Very high	90.3	Very high	93 Å²	93	45.4 Å²	45.4	49%	0.487	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.2	177.5	-53.7	178.9	0	0	0	108.9	I495 T496 A498 M509	I495-L511 WeakPolarHBondContact CA-O 3.12Å; T496-L511 PolarHBondContact N-O 2.92Å; T496-L511 WeakPolarHBondContact O-CB 3.45Å; T496-L511 PolarHBondContact O-N 2.84Å; A498-L511 HydrophobicContact CB-CD1 4.01Å; A498-L511 HydrophobicContact CB-CG 4.37Å; M509-L511 PolarHBondContact O-N 3.25Å
512	G	90.8	Very high	91	Very high	31 Å²	31	50.6 Å²	50.6	32%	0.32	26%	0.26	S	S	.	.	S	Bend	trans	123.6	161.4	-175.8	0	0	0	0	0	111.8	E494	E494-G512 WeakPolarHBondContact O-CA 3.17Å
513	S	91.7	Very high	91.9	Very high	11 Å²	11	45.2 Å²	45.2	8%	0.077	24%	0.24	C	C	.	.			trans	-107.3	142.6	176.5	-172.7	0	0	0	0	110.6	W527 E738	S513-W527 PolarHBondContact OG-O 3Å; S513-E738 WeakPolarHBondContact CB-OE2 3.39Å
514	I	95.4	Very high	93	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.8	171.9	-58.6	163.1	0	0	0	107.3	L491 Q493 S526 W527 K529	L491-I514 HydrophobicContact CD1-CG2 3.61Å; L491-I514 HydrophobicContact CG-CG2 4.33Å; Q493-I514 HydrophobicContact CB-CB 4.29Å; Q493-I514 HydrophobicContact CB-CG1 3.89Å; Q493-I514 HydrophobicContact CB-CG2 4.34Å; I514-S526 CarbonylContact O-C 3.59Å; I514-S526 WeakPolarHBondContact O-CA 3.3Å; I514-W527 HydrophobicContact CB-CD2 4.09Å; I514-W527 HydrophobicContact CB-CG 4.5Å; I514-W527 HydrophobicContact CB-CH2 4.47Å; I514-W527 HydrophobicContact CB-CZ2 3.93Å; I514-W527 HydrophobicContact CD1-CZ2 4.41Å; I514-W527 VanDerWaalsContact CD1-NE1 3.35Å; I514-W527 HydrophobicContact CG2-CD2 4.31Å; I514-W527 HydrophobicContact CG2-CH2 3.66Å; I514-W527 HydrophobicContact CG2-CZ2 3.3Å; I514-W527 HydrophobicContact CG2-CZ3 4.29Å; I514-W527 PolarHBondContact N-O 3.46Å; I514-W527 PolarHBondContact O-N 2.94Å; I514-K529 HydrophobicContact CD1-CD 4.28Å; I514-K529 HydrophobicContact CD1-CG 3.77Å
515	Q	95.8	Very high	93.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.5	-179.4	-59.8	-172.3	-14.6	0	0	110.3	L491 R492 Y525 D733 S736	L491-Q515 CarbonylContact C-O 3.58Å; L491-Q515 WeakPolarHBondContact CA-O 3.26Å; R492-Q515 HydrophobicContact CG-CB 3.87Å; R492-Q515 PolarHBondContact N-O 3.36Å; R492-Q515 PolarHBondContact O-N 3.06Å; Q515-Y525 CarbonylContact C-O 3.51Å; Q515-Y525 WeakPolarHBondContact CA-O 3.19Å; Q515-D733 PolarHBondContact NE2-OD2 3.42Å; Q515-S736 PolarHBondContact NE2-OG 2.92Å; Q515-S736 VanDerWaalsContact NE2-OG 3.15Å
516	C	97.6	Very high	94.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.5	177.4	-169.9	0	0	0	0	110.1	T490 L491 Y525 W527	T490-C516 CarbonylContact O-C 3.53Å; T490-C516 WeakPolarHBondContact O-CA 3.17Å; L491-C516 HydrophobicContact CD1-CB 4.02Å; C516-Y525 PolarHBondContact N-O 3.09Å; C516-Y525 PolarHBondContact O-N 3.18Å; C516-W527 HydrophobicContact CB-CH2 3.73Å; C516-W527 HydrophobicContact CB-CZ3 3.65Å
517	M	97.3	Very high	95	Very high	41 Å²	41	38.3 Å²	38.3	20%	0.202	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.4	-178	-62.8	145.3	-71.4	0	0	109.2	W489 T490 R492 N523 H524	W489-M517 CarbonylContact C-O 3.6Å; W489-M517 VanDerWaalsContact CA-O 3.26Å; W489-M517 WeakPolarHBondContact CA-O 3.48Å; T490-M517 HydrophobicContact CG2-CE 3.72Å; T490-M517 PolarHBondContact N-O 2.8Å; T490-M517 WeakPolarHBondContact O-CE 3.4Å; T490-M517 PolarHBondContact O-N 3.41Å; R492-M517 HydrophobicContact CG-CE 3.89Å; M517-N523 WeakPolarHBondContact CA-O 3.45Å; M517-H524 HydrophobicContact CG-CB 4.43Å
518	F	98.4	Very high	95.2	Very high	3 Å²	3	43 Å²	43	1%	0.013	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.5	178.6	-68	-85	0	0	0	110.7	L412 A415 A416 Q424 V428 G488 W489 S521 N522 N523 Y525	L412-F518 HydrophobicContact CD2-CZ 4.22Å; A415-F518 HydrophobicContact CB-CE1 3.68Å; A415-F518 HydrophobicContact CB-CZ 3.58Å; A416-F518 HydrophobicContact CB-CD1 3.81Å; A416-F518 HydrophobicContact CB-CE1 4.06Å; Q424-F518 HydrophobicContact CG-CE2 4.36Å; V428-F518 HydrophobicContact CG2-CE2 3.77Å; V428-F518 HydrophobicContact CG2-CZ 3.87Å; G488-F518 WeakPolarHBondContact O-CA 3.43Å; W489-F518 HydrophobicContact CB-CD1 3.78Å; W489-F518 HydrophobicContact CB-CE1 3.74Å; F518-S521 WeakPolarHBondContact CB-OG 3.32Å; F518-N522 WeakPolarHBondContact O-CA 3.46Å; F518-N522 PolarHBondContact O-N 2.68Å; F518-N523 PolarHBondContact N-O 2.76Å; F518-Y525 AromaticContact CD2-CD2 3.75Å; F518-Y525 HydrophobicContact CD2-CD2 3.75Å; F518-Y525 AromaticContact CD2-CE2 3.62Å; F518-Y525 HydrophobicContact CD2-CE2 3.62Å; F518-Y525 AromaticContact CE2-CD2 3.61Å; F518-Y525 HydrophobicContact CE2-CD2 3.61Å; F518-Y525 AromaticContact CE2-CE2 3.64Å; F518-Y525 HydrophobicContact CE2-CE2 3.64Å
519	D	97	Very high	95.5	Very high	105 Å²	105	42.8 Å²	42.8	56%	0.561	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-44.7	-169.3	-59.1	-22.1	0	0	0	112.2	G488 N522	G488-D519 VanDerWaalsContact CA-OD2 3.25Å; G488-D519 WeakPolarHBondContact CA-OD2 3.45Å; G488-D519 PolarHBondContact O-N 2.92Å; D519-N522 PolarHBondContact O-N 3.35Å
520	K	96.3	Very high	95.7	Very high	176 Å²	176	40.3 Å²	40.3	77%	0.765	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-46.4	-176.4	-69.5	-177.1	-179.5	176	0	113.1	N522	K520-N522 VanDerWaalsContact C-N 3.35Å
521	S	95.9	Very high	95.8	Very high	31 Å²	31	41.5 Å²	41.5	22%	0.217	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-15.1	179.6	62.4	0	0	0	0	112	Q424 F518 N523 K556	Q424-S521 PolarHBondContact NE2-OG 2.97Å; Q424-S521 PolarHBondContact OE1-OG 2.9Å; Q424-S521 VanDerWaalsContact OE1-OG 3.07Å; F518-S521 WeakPolarHBondContact CB-OG 3.32Å; S521-N523 PolarHBondContact O-N 3.31Å; S521-N523 VanDerWaalsContact O-N 3.15Å; S521-N523 WeakPolarHBondContact OG-CB 3.48Å; S521-N523 PolarHBondContact OG-N 2.91Å; S521-N523 PolarHBondContact OG-ND2 3.46Å; S521-K556 PolarHBondContact O-NZ 2.79Å
522	N	96	Very high	96	Very high	120 Å²	120	38.1 Å²	38.1	64%	0.642	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	28.8	-168.1	-165.7	29.9	0	0	0	112.3	F518 D519 K520 K556	F518-N522 WeakPolarHBondContact O-CA 3.46Å; F518-N522 PolarHBondContact O-N 2.68Å; D519-N522 PolarHBondContact O-N 3.35Å; K520-N522 VanDerWaalsContact C-N 3.35Å; N522-K556 WeakPolarHBondContact O-CD 3.36Å
523	N	97.1	Very high	96.1	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.053	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	142.1	176.4	-74.4	-25.6	0	0	0	109.5	Q424 M517 F518 S521 Y525 N554 K556	Q424-N523 PolarHBondContact OE1-ND2 2.94Å; M517-N523 WeakPolarHBondContact CA-O 3.45Å; F518-N523 PolarHBondContact N-O 2.76Å; S521-N523 PolarHBondContact O-N 3.31Å; S521-N523 VanDerWaalsContact O-N 3.15Å; S521-N523 WeakPolarHBondContact OG-CB 3.48Å; S521-N523 PolarHBondContact OG-N 2.91Å; S521-N523 PolarHBondContact OG-ND2 3.46Å; N523-Y525 HydrophobicContact CB-CD2 4.26Å; N523-Y525 HydrophobicContact CB-CE2 3.51Å; N523-N554 VanDerWaalsContact CG-ND2 3.28Å; N523-N554 PolarHBondContact ND2-ND2 2.98Å; N523-N554 PolarHBondContact OD1-ND2 2.75Å; N523-K556 WeakPolarHBondContact OD1-CD 3.4Å
524	H	96.1	Very high	96	Very high	25 Å²	25	37.3 Å²	37.3	12%	0.116	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	116.1	177.4	178.9	-173	0	0	0	108.5	M517 N554 H555	M517-H524 HydrophobicContact CG-CB 4.43Å; H524-N554 WeakPolarHBondContact O-CA 3.45Å; H524-H555 PolarHBondContact O-CD2 2.85Å; H524-H555 PolarHBondContact O-N 2.78Å
525	Y	97.5	Very high	95.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.6	179	-62.9	-96.1	0	0	0	111	S421 Q424 M425 V428 Q515 C516 F518 N523 V552 V553 N554	S421-Y525 PolarHBondContact O-OH 3.4Å; Q424-Y525 HydrophobicContact CG-CE2 4.14Å; Q424-Y525 WeakPolarHBondContact CG-OH 3.2Å; Q424-Y525 PolarHBondContact OE1-OH 3.27Å; M425-Y525 HydrophobicContact CB-CE1 4.22Å; M425-Y525 HydrophobicContact CE-CD1 3.82Å; M425-Y525 HydrophobicContact CE-CE1 3.58Å; M425-Y525 HydrophobicContact SD-CD1 3.82Å; M425-Y525 HydrophobicContact SD-CE1 3.69Å; V428-Y525 HydrophobicContact CG1-CD1 4.31Å; V428-Y525 HydrophobicContact CG1-CG 4.28Å; V428-Y525 HydrophobicContact CG2-CD1 4.39Å; V428-Y525 HydrophobicContact CG2-CD2 4.28Å; V428-Y525 HydrophobicContact CG2-CE1 4.45Å; V428-Y525 HydrophobicContact CG2-CE2 4.36Å; V428-Y525 HydrophobicContact CG2-CG 4.31Å; Q515-Y525 CarbonylContact C-O 3.51Å; Q515-Y525 WeakPolarHBondContact CA-O 3.19Å; C516-Y525 PolarHBondContact N-O 3.09Å; C516-Y525 PolarHBondContact O-N 3.18Å; F518-Y525 AromaticContact CD2-CD2 3.75Å; F518-Y525 HydrophobicContact CD2-CD2 3.75Å; F518-Y525 AromaticContact CD2-CE2 3.62Å; F518-Y525 HydrophobicContact CD2-CE2 3.62Å; F518-Y525 AromaticContact CE2-CD2 3.61Å; F518-Y525 HydrophobicContact CE2-CD2 3.61Å; F518-Y525 AromaticContact CE2-CE2 3.64Å; F518-Y525 HydrophobicContact CE2-CE2 3.64Å; N523-Y525 HydrophobicContact CB-CD2 4.26Å; N523-Y525 HydrophobicContact CB-CE2 3.51Å; Y525-V552 HydrophobicContact CD1-CG1 4.26Å; Y525-V553 CarbonylContact C-O 3.59Å; Y525-V553 WeakPolarHBondContact CA-O 3.31Å; Y525-N554 HydrophobicContact CD1-CB 3.88Å; Y525-N554 HydrophobicContact CE1-CB 3.63Å; Y525-N554 PolarHBondContact OH-ND2 3.26Å
526	S	96.3	Very high	95.2	Very high	13 Å²	13	40 Å²	40	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	149.3	166.2	73.6	0	0	0	0	113.4	I514 V553 H555	I514-S526 CarbonylContact O-C 3.59Å; I514-S526 WeakPolarHBondContact O-CA 3.3Å; S526-V553 PolarHBondContact N-O 2.88Å; S526-V553 PolarHBondContact O-N 3.44Å; S526-H555 WeakPolarHBondContact CB-NE2 3.23Å; S526-H555 PolarHBondContact OG-CE1 2.81Å; S526-H555 PolarHBondContact OG-NE2 3.41Å
527	W	96.8	Very high	94.3	Very high	7 Å²	7	40.2 Å²	40.2	3%	0.027	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	167.2	174.5	65.5	96.6	0	0	0	111.9	V428 F431 T432 L491 S513 I514 C516 I550 V552	V428-W527 HydrophobicContact CG1-CE3 4.19Å; V428-W527 HydrophobicContact CG1-CH2 4.18Å; V428-W527 HydrophobicContact CG1-CZ3 3.75Å; F431-W527 HydrophobicContact CD1-CH2 4.29Å; F431-W527 HydrophobicContact CD1-CZ2 4.02Å; F431-W527 HydrophobicContact CE1-CH2 4.35Å; F431-W527 HydrophobicContact CE1-CZ2 4.02Å; T432-W527 VanDerWaalsContact CG2-CD1 3.47Å; T432-W527 HydrophobicContact CG2-CG 4.22Å; T432-W527 PolarHBondContact OG1-NE1 2.91Å; L491-W527 HydrophobicContact CD1-CH2 3.91Å; L491-W527 HydrophobicContact CD1-CZ2 4.31Å; S513-W527 PolarHBondContact OG-O 3Å; I514-W527 HydrophobicContact CB-CD2 4.09Å; I514-W527 HydrophobicContact CB-CG 4.5Å; I514-W527 HydrophobicContact CB-CH2 4.47Å; I514-W527 HydrophobicContact CB-CZ2 3.93Å; I514-W527 HydrophobicContact CD1-CZ2 4.41Å; I514-W527 VanDerWaalsContact CD1-NE1 3.35Å; I514-W527 HydrophobicContact CG2-CD2 4.31Å; I514-W527 HydrophobicContact CG2-CH2 3.66Å; I514-W527 HydrophobicContact CG2-CZ2 3.3Å; I514-W527 HydrophobicContact CG2-CZ3 4.29Å; I514-W527 PolarHBondContact N-O 3.46Å; I514-W527 PolarHBondContact O-N 2.94Å; C516-W527 HydrophobicContact CB-CH2 3.73Å; C516-W527 HydrophobicContact CB-CZ3 3.65Å; W527-I550 HydrophobicContact CB-CG2 3.76Å; W527-I550 HydrophobicContact CG-CG2 4.39Å; W527-V552 HydrophobicContact CB-CB 4.39Å; W527-V552 HydrophobicContact CB-CG1 4.47Å; W527-V552 HydrophobicContact CB-CG2 4.03Å; W527-V552 HydrophobicContact CE3-CG1 4.16Å; W527-V552 HydrophobicContact CG-CG2 4.45Å
528	K	95.1	Very high	93	Very high	106 Å²	106	41 Å²	41	46%	0.461	21%	0.208	S	C	.	.			trans	-118.7	150.9	175.5	-61.4	-171.8	175.8	-177.7	0	110.6	I550 E738	K528-I550 WeakPolarHBondContact O-CG1 3.06Å; K528-I550 WeakPolarHBondContact O-CG2 3.48Å; K528-E738 WeakPolarHBondContact CE-OE1 3.32Å; K528-E738 IonicContact NZ-OE1 3.74Å; K528-E738 PolarHBondContact NZ-OE1 2.99Å
529	K	96.3	Very high	91.7	Very high	42 Å²	42	45.8 Å²	45.8	18%	0.183	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-77.5	153.7	177.9	-71.2	-162.6	-175.4	-167.7	0	111.8	D405 Y436 I495 P510 I514	D405-K529 IonicContact OD1-NZ 3.35Å; D405-K529 PolarHBondContact OD1-NZ 2.85Å; D405-K529 WeakPolarHBondContact OD2-CE 2.95Å; D405-K529 IonicContact OD2-NZ 3.64Å; D405-K529 PolarHBondContact OD2-NZ 2.76Å; Y436-K529 WeakPolarHBondContact OH-CA 3.42Å; Y436-K529 WeakPolarHBondContact OH-CB 3.24Å; Y436-K529 WeakPolarHBondContact OH-CG 3.49Å; I495-K529 HydrophobicContact CD1-CD 4.37Å; P510-K529 HydrophobicContact CB-CB 3.89Å; P510-K529 HydrophobicContact CB-CD 4.48Å; P510-K529 HydrophobicContact CG-CB 3.32Å; P510-K529 HydrophobicContact CG-CD 4.45Å; P510-K529 HydrophobicContact CG-CG 4.45Å; I514-K529 HydrophobicContact CD1-CD 4.28Å; I514-K529 HydrophobicContact CD1-CG 3.77Å
530	V	96.9	Very high	90.7	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.036	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-85.4	172.8	175.5	-69.4	0	0	0	0	111.9	Y436 P510 Q546 S547 I550 F565	Y436-V530 HydrophobicContact CE1-CG2 3.78Å; Y436-V530 HydrophobicContact CE2-CG2 4.2Å; Y436-V530 PolarHBondContact OH-N 3.32Å; P510-V530 VanDerWaalsContact CD-O 3.27Å; P510-V530 WeakPolarHBondContact CD-O 3.01Å; P510-V530 VanDerWaalsContact CG-O 3.26Å; P510-V530 WeakPolarHBondContact CG-O 3.31Å; V530-Q546 HydrophobicContact CG2-CB 4.42Å; V530-S547 WeakPolarHBondContact CB-O 3.43Å; V530-I550 HydrophobicContact CG1-CD1 3.88Å; V530-I550 HydrophobicContact CG1-CG1 3.4Å; V530-I550 VanDerWaalsContact CG1-CG1 3.4Å; V530-F565 HydrophobicContact CG1-CD2 3.9Å; V530-F565 HydrophobicContact CG1-CE2 4.28Å; V530-F565 HydrophobicContact CG1-CG 4.42Å; V530-F565 HydrophobicContact CG2-CD1 4.23Å; V530-F565 HydrophobicContact CG2-CD2 4.27Å; V530-F565 HydrophobicContact CG2-CE1 4.4Å; V530-F565 HydrophobicContact CG2-CE2 4.46Å; V530-F565 HydrophobicContact CG2-CG 4.17Å
531	T	95.6	Very high	90	Very high	45 Å²	45	43.4 Å²	43.4	28%	0.276	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	128.4	177.6	-61.6	0	0	0	0	110.8	I508 M509 S547	I508-T531 WeakPolarHBondContact O-CA 3.32Å; M509-T531 HydrophobicContact CG-CG2 4.05Å; T531-S547 PolarHBondContact N-O 2.84Å; T531-S547 PolarHBondContact O-N 3.32Å; T531-S547 VanDerWaalsContact O-N 3.13Å
532	T	95.6	Very high	89.5	Confident	22 Å²	22	44.2 Å²	44.2	14%	0.135	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.5	167.8	-57.9	0	0	0	0	109.6	I508 I544 Q546	I508-T532 PolarHBondContact N-O 2.95Å; I508-T532 PolarHBondContact O-N 2.85Å; T532-I544 HydrophobicContact CG2-CG2 3.68Å; T532-Q546 VanDerWaalsContact OG1-CD 3.31Å; T532-Q546 PolarHBondContact OG1-NE2 3.44Å; T532-Q546 VanDerWaalsContact OG1-NE2 3.12Å; T532-Q546 PolarHBondContact OG1-OE1 3.06Å
533	T	92.8	Very high	89.3	Confident	12 Å²	12	41.7 Å²	41.7	7%	0.074	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.5	176.9	-58.3	0	0	0	0	110.4	Y505 L506 H535 I544 D545	Y505-T533 HydrophobicContact CD2-CG2 3.91Å; Y505-T533 HydrophobicContact CG-CG2 4.14Å; L506-T533 WeakPolarHBondContact O-CA 3.46Å; T533-H535 WeakPolarHBondContact CG2-NE2 3.1Å; T533-H535 PolarHBondContact O-CD2 3.02Å; T533-I544 WeakPolarHBondContact O-CA 3.23Å; T533-D545 PolarHBondContact N-O 3.18Å; T533-D545 PolarHBondContact O-N 2.86Å
534	V	90.9	Very high	89.1	Confident	13 Å²	13	41.6 Å²	41.6	8%	0.079	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.9	170.9	-170.2	0	0	0	0	108.1	Y505 L506 I508 I537 L542 I544	Y505-V534 CarbonylContact C-O 3.51Å; Y505-V534 VanDerWaalsContact CA-O 3.23Å; Y505-V534 WeakPolarHBondContact CA-O 3.5Å; Y505-V534 WeakPolarHBondContact CB-O 3.39Å; L506-V534 HydrophobicContact CB-CB 4.28Å; L506-V534 PolarHBondContact N-O 2.72Å; L506-V534 PolarHBondContact O-N 3.1Å; I508-V534 HydrophobicContact CD1-CG2 4.09Å; V534-I537 HydrophobicContact CB-CD1 4.01Å; V534-I537 HydrophobicContact CG1-CD1 3.68Å; V534-I537 WeakPolarHBondContact O-CG1 3.2Å; V534-L542 HydrophobicContact CG1-CD2 4.37Å; V534-I544 HydrophobicContact CG2-CG1 4.24Å
535	H	88.4	Confident	89	Confident	34 Å²	34	40.6 Å²	40.6	16%	0.157	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	164	-178.8	-67.6	-94	0	0	0	112	T533 I537 L542 W543	T533-H535 WeakPolarHBondContact CG2-NE2 3.1Å; T533-H535 PolarHBondContact O-CD2 3.02Å; H535-I537 VanDerWaalsContact C-N 3.3Å; H535-I537 PolarHBondContact O-N 2.92Å; H535-L542 WeakPolarHBondContact O-CA 3.24Å; H535-L542 WeakPolarHBondContact O-CD2 3.33Å; H535-W543 HydrophobicContact CB-CD2 3.81Å; H535-W543 HydrophobicContact CB-CG 4.1Å; H535-W543 HydrophobicContact CB-CH2 4.37Å; H535-W543 HydrophobicContact CB-CZ2 3.61Å; H535-W543 VanDerWaalsContact CB-NE1 3.27Å; H535-W543 AromaticContact CD2-CD2 3.9Å; H535-W543 AromaticContact CD2-CE2 3.75Å; H535-W543 AromaticContact CD2-CE3 3.78Å; H535-W543 AromaticContact CD2-CH2 3.31Å; H535-W543 WeakPolarHBondContact CD2-CH2 3.49Å; H535-W543 AromaticContact CD2-CZ2 3.46Å; H535-W543 VanDerWaalsContact CD2-CZ2 3.46Å; H535-W543 WeakPolarHBondContact CD2-CZ2 3.38Å; H535-W543 AromaticContact CD2-CZ3 3.51Å; H535-W543 AromaticContact CE1-CH2 3.75Å; H535-W543 AromaticContact CE1-CZ2 3.91Å; H535-W543 AromaticContact CG-CE2 3.48Å; H535-W543 VanDerWaalsContact CG-CE2 3.48Å; H535-W543 AromaticContact CG-CH2 3.64Å; H535-W543 AromaticContact CG-CZ2 3.26Å; H535-W543 AromaticContact CG-NE1 3.99Å; H535-W543 PolarHBondContact N-O 3.14Å; H535-W543 AromaticContact ND1-CH2 3.89Å; H535-W543 AromaticContact ND1-CZ2 3.57Å; H535-W543 AromaticContact NE2-CH2 3.43Å; H535-W543 WeakPolarHBondContact NE2-CH2 3.36Å; H535-W543 AromaticContact NE2-CZ2 3.89Å; H535-W543 AromaticContact NE2-CZ3 3.83Å
536	N	84.9	Confident	89	Confident	30 Å²	30	40.6 Å²	40.6	16%	0.16	22%	0.216	C	C	.	.			trans	62	32.4	173.8	-65.4	-12.8	0	0	0	114.4	K504 I538 V539 K541 L542 W543	K504-N536 WeakPolarHBondContact CE-OD1 3.27Å; K504-N536 PolarHBondContact O-N 2.78Å; K504-N536 VanDerWaalsContact O-N 3.17Å; N536-I538 PolarHBondContact O-N 2.73Å; N536-I538 VanDerWaalsContact O-N 3.16Å; N536-V539 VanDerWaalsContact CB-O 3.27Å; N536-V539 WeakPolarHBondContact CB-O 3.49Å; N536-K541 VanDerWaalsContact CB-O 3.31Å; N536-K541 WeakPolarHBondContact CB-O 3.27Å; N536-K541 PolarHBondContact ND2-O 3.17Å; N536-L542 WeakPolarHBondContact O-CD2 3.39Å; N536-W543 PolarHBondContact ND2-NE1 3.28Å
537	I	78.6	Confident	88.9	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-58	-30.8	-179.7	-65.8	-69.9	0	0	0	113	L371 M375 F501 K504 L506 V534 H535 L542	L371-I537 HydrophobicContact CD2-CD1 3.55Å; L371-I537 HydrophobicContact CD2-CG2 4.01Å; L371-I537 HydrophobicContact CG-CG2 4.41Å; M375-I537 HydrophobicContact CB-CG2 4.32Å; M375-I537 HydrophobicContact CE-CG2 3.47Å; M375-I537 VanDerWaalsContact CE-CG2 3.47Å; M375-I537 HydrophobicContact CG-CG2 4.32Å; M375-I537 HydrophobicContact SD-CD1 4.28Å; M375-I537 HydrophobicContact SD-CG2 3.17Å; M375-I537 WeakPolarHBondContact SD-CG2 3.06Å; F501-I537 HydrophobicContact CD2-CG2 4.25Å; F501-I537 HydrophobicContact CE2-CB 3.98Å; F501-I537 HydrophobicContact CE2-CG1 4.5Å; F501-I537 HydrophobicContact CE2-CG2 3.47Å; F501-I537 VanDerWaalsContact CE2-CG2 3.47Å; F501-I537 HydrophobicContact CZ-CG2 4.24Å; K504-I537 PolarHBondContact O-N 2.91Å; K504-I537 VanDerWaalsContact O-N 3.09Å; L506-I537 HydrophobicContact CB-CD1 3.85Å; L506-I537 HydrophobicContact CB-CG1 3.92Å; V534-I537 HydrophobicContact CB-CD1 4.01Å; V534-I537 HydrophobicContact CG1-CD1 3.68Å; V534-I537 WeakPolarHBondContact O-CG1 3.2Å; H535-I537 VanDerWaalsContact C-N 3.3Å; H535-I537 PolarHBondContact O-N 2.92Å; I537-L542 HydrophobicContact CD1-CD2 4.01Å
538	I	70.8	Confident	88.9	Confident	57 Å²	57	42.4 Å²	42.4	29%	0.292	23%	0.234	S	C	.	.	S	Bend	trans	-92.2	-51.2	-179	-50.1	-174.6	0	0	0	111.3	W372 F501 G503 N536	W372-I538 HydrophobicContact CD2-CB 4.44Å; W372-I538 HydrophobicContact CD2-CG1 4.44Å; W372-I538 HydrophobicContact CD2-CG2 3.72Å; W372-I538 HydrophobicContact CE3-CB 4.1Å; W372-I538 HydrophobicContact CE3-CD1 4.13Å; W372-I538 HydrophobicContact CE3-CG1 3.64Å; W372-I538 HydrophobicContact CE3-CG2 3.8Å; W372-I538 HydrophobicContact CG-CG2 4.1Å; W372-I538 HydrophobicContact CH2-CD1 4Å; W372-I538 HydrophobicContact CH2-CG1 4.43Å; W372-I538 HydrophobicContact CH2-CG2 4.45Å; W372-I538 HydrophobicContact CZ2-CG2 4.39Å; W372-I538 HydrophobicContact CZ3-CB 4.47Å; W372-I538 HydrophobicContact CZ3-CD1 3.62Å; W372-I538 HydrophobicContact CZ3-CG1 3.64Å; W372-I538 HydrophobicContact CZ3-CG2 4.18Å; F501-I538 HydrophobicContact CZ-CD1 4.38Å; F501-I538 HydrophobicContact CZ-CG1 4.3Å; G503-I538 WeakPolarHBondContact O-CD1 3.43Å; G503-I538 VanDerWaalsContact O-CG1 3.26Å; G503-I538 WeakPolarHBondContact O-CG1 3.23Å; N536-I538 PolarHBondContact O-N 2.73Å; N536-I538 VanDerWaalsContact O-N 3.16Å
539	V	71.6	Confident	89	Confident	104 Å²	104	42.4 Å²	42.4	63%	0.63	24%	0.236	S	C	*	.	S	Bend	trans	-142.1	134.1	-173.5	-177.5	0	0	0	0	109.9	N536	N536-V539 VanDerWaalsContact CB-O 3.27Å; N536-V539 WeakPolarHBondContact CB-O 3.49Å
540	G	75.4	Confident	89.1	Confident	56 Å²	56	40.5 Å²	40.5	58%	0.577	23%	0.228	S	C	*	.	S	Bend	trans	103.7	177.9	177	0	0	0	0	0	113.1	L542	G540-L542 PolarHBondContact O-N 2.87Å
541	K	81.4	Confident	89.1	Confident	175 Å²	175	43.3 Å²	43.3	76%	0.761	24%	0.243	S	C	*	.			trans	-70	128.7	174.2	-173.5	176.5	179.3	178.2	0	109.3	N536	N536-K541 VanDerWaalsContact CB-O 3.31Å; N536-K541 WeakPolarHBondContact CB-O 3.27Å; N536-K541 PolarHBondContact ND2-O 3.17Å
542	L	86.4	Confident	89.2	Confident	48 Å²	48	41.2 Å²	41.2	25%	0.251	23%	0.229	S	C	.	.			trans	-61.6	137.4	172.5	-61.6	178.5	0	0	0	110	L371 T443 V534 H535 N536 I537 G540	L371-L542 HydrophobicContact CD2-CD1 3.97Å; L371-L542 HydrophobicContact CD2-CD2 4.16Å; T443-L542 HydrophobicContact CG2-CB 3.78Å; V534-L542 HydrophobicContact CG1-CD2 4.37Å; H535-L542 WeakPolarHBondContact O-CA 3.24Å; H535-L542 WeakPolarHBondContact O-CD2 3.33Å; N536-L542 WeakPolarHBondContact O-CD2 3.39Å; I537-L542 HydrophobicContact CD1-CD2 4.01Å; G540-L542 PolarHBondContact O-N 2.87Å
543	W	90	Very high	89.3	Confident	67 Å²	67	40.9 Å²	40.9	25%	0.254	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	156.5	172.9	64	-85.8	0	0	0	110.2	H535 N536 D545 Y568	H535-W543 HydrophobicContact CB-CD2 3.81Å; H535-W543 HydrophobicContact CB-CG 4.1Å; H535-W543 HydrophobicContact CB-CH2 4.37Å; H535-W543 HydrophobicContact CB-CZ2 3.61Å; H535-W543 VanDerWaalsContact CB-NE1 3.27Å; H535-W543 AromaticContact CD2-CD2 3.9Å; H535-W543 AromaticContact CD2-CE2 3.75Å; H535-W543 AromaticContact CD2-CE3 3.78Å; H535-W543 AromaticContact CD2-CH2 3.31Å; H535-W543 WeakPolarHBondContact CD2-CH2 3.49Å; H535-W543 AromaticContact CD2-CZ2 3.46Å; H535-W543 VanDerWaalsContact CD2-CZ2 3.46Å; H535-W543 WeakPolarHBondContact CD2-CZ2 3.38Å; H535-W543 AromaticContact CD2-CZ3 3.51Å; H535-W543 AromaticContact CE1-CH2 3.75Å; H535-W543 AromaticContact CE1-CZ2 3.91Å; H535-W543 AromaticContact CG-CE2 3.48Å; H535-W543 VanDerWaalsContact CG-CE2 3.48Å; H535-W543 AromaticContact CG-CH2 3.64Å; H535-W543 AromaticContact CG-CZ2 3.26Å; H535-W543 AromaticContact CG-NE1 3.99Å; H535-W543 PolarHBondContact N-O 3.14Å; H535-W543 AromaticContact ND1-CH2 3.89Å; H535-W543 AromaticContact ND1-CZ2 3.57Å; H535-W543 AromaticContact NE2-CH2 3.43Å; H535-W543 WeakPolarHBondContact NE2-CH2 3.36Å; H535-W543 AromaticContact NE2-CZ2 3.89Å; H535-W543 AromaticContact NE2-CZ3 3.83Å; N536-W543 PolarHBondContact ND2-NE1 3.28Å; W543-D545 HydrophobicContact CE3-CB 4.41Å; W543-D545 HydrophobicContact CH2-CB 4.33Å; W543-D545 HydrophobicContact CZ3-CB 3.67Å; W543-Y568 AromaticContact CH2-CD1 3.45Å; W543-Y568 HydrophobicContact CH2-CD1 3.45Å; W543-Y568 VanDerWaalsContact CH2-CD1 3.45Å; W543-Y568 HydrophobicContact CH2-CD2 4.23Å; W543-Y568 HydrophobicContact CH2-CE1 4.1Å; W543-Y568 AromaticContact CH2-CG 3.51Å; W543-Y568 HydrophobicContact CH2-CG 3.51Å; W543-Y568 AromaticContact CZ2-CD1 3.95Å; W543-Y568 HydrophobicContact CZ2-CD1 3.95Å; W543-Y568 HydrophobicContact CZ2-CE1 4.21Å; W543-Y568 HydrophobicContact CZ2-CG 4.4Å; W543-Y568 HydrophobicContact CZ3-CD1 4.43Å; W543-Y568 HydrophobicContact CZ3-CG 4.08Å
544	I	93.2	Very high	89.6	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.036	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.8	-172.9	-70.9	165	0	0	0	110	T439 R442 T443 T532 T533 V534	T439-I544 WeakPolarHBondContact O-CD1 3.34Å; R442-I544 WeakPolarHBondContact O-CD1 3.33Å; T443-I544 HydrophobicContact CG2-CD1 4.07Å; T443-I544 HydrophobicContact CG2-CG1 4.33Å; T532-I544 HydrophobicContact CG2-CG2 3.68Å; T533-I544 WeakPolarHBondContact O-CA 3.23Å; V534-I544 HydrophobicContact CG2-CG1 4.24Å
545	D	95.1	Very high	89.8	Confident	5 Å²	5	43 Å²	43	3%	0.027	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.6	168.1	-161.2	26	0	0	0	111	T533 W543 Y568	T533-D545 PolarHBondContact N-O 3.18Å; T533-D545 PolarHBondContact O-N 2.86Å; W543-D545 HydrophobicContact CE3-CB 4.41Å; W543-D545 HydrophobicContact CH2-CB 4.33Å; W543-D545 HydrophobicContact CZ3-CB 3.67Å; D545-Y568 WeakPolarHBondContact OD2-CB 3.15Å; D545-Y568 PolarHBondContact OD2-N 3.43Å
546	Q	96.5	Very high	90.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.1	174.3	-56	-66.1	-5.5	0	0	107.9	Y436 T439 V530 T532 F565 W598	Y436-Q546 VanDerWaalsContact CD1-CD 3.46Å; Y436-Q546 HydrophobicContact CD1-CG 3.9Å; Y436-Q546 HydrophobicContact CG-CG 4.22Å; T439-Q546 PolarHBondContact OG1-NE2 3.2Å; V530-Q546 HydrophobicContact CG2-CB 4.42Å; T532-Q546 VanDerWaalsContact OG1-CD 3.31Å; T532-Q546 PolarHBondContact OG1-NE2 3.44Å; T532-Q546 VanDerWaalsContact OG1-NE2 3.12Å; T532-Q546 PolarHBondContact OG1-OE1 3.06Å; Q546-F565 HydrophobicContact CB-CD1 4.09Å; Q546-W598 HydrophobicContact CB-CD2 4.25Å; Q546-W598 HydrophobicContact CB-CG 4.47Å; Q546-W598 HydrophobicContact CB-CZ2 4.21Å; Q546-W598 HydrophobicContact CG-CD2 3.93Å; Q546-W598 HydrophobicContact CG-CE3 4.1Å; Q546-W598 HydrophobicContact CG-CH2 3.99Å; Q546-W598 HydrophobicContact CG-CZ2 3.79Å; Q546-W598 HydrophobicContact CG-CZ3 4.11Å
547	S	94.9	Very high	90.6	Very high	25 Å²	25	47.7 Å²	47.7	18%	0.175	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	144.9	-175.1	66.6	0	0	0	0	112.7	V530 T531	V530-S547 WeakPolarHBondContact CB-O 3.43Å; T531-S547 PolarHBondContact N-O 2.84Å; T531-S547 PolarHBondContact O-N 3.32Å; T531-S547 VanDerWaalsContact O-N 3.13Å
548	G	96.3	Very high	91.5	Very high	32 Å²	32	48.9 Å²	48.9	33%	0.33	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	136.1	-168.5	-177.2	0	0	0	0	0	112	F565	G548-F565 PolarHBondContact N-O 3.38Å; G548-F565 WeakPolarHBondContact O-CB 3.26Å; G548-F565 PolarHBondContact O-N 3.42Å
549	E	97.4	Very high	92.7	Very high	106 Å²	106	46.5 Å²	46.5	50%	0.495	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.1	-179.8	-66.2	173.5	-177	0	0	108.9	H562 L563 K564	E549-H562 IonicContact OE2-CE1 2.99Å; E549-H562 PolarHBondContact OE2-CE1 3.34Å; E549-H562 IonicContact OE2-NE2 3.18Å; E549-L563 CarbonylContact C-O 3.2Å; E549-L563 VanDerWaalsContact CA-O 3.22Å; E549-L563 WeakPolarHBondContact CA-O 3.49Å; E549-K564 HydrophobicContact CG-CB 4.49Å; E549-K564 HydrophobicContact CG-CG 4.32Å
550	I	97.9	Very high	94	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.2	174.8	-55.2	-177.7	0	0	0	108.2	T432 Y436 W527 K528 V530 V552 L563 F565	T432-I550 HydrophobicContact CG2-CD1 3.63Å; T432-I550 HydrophobicContact CG2-CG2 4.28Å; Y436-I550 HydrophobicContact CE2-CD1 4.29Å; W527-I550 HydrophobicContact CB-CG2 3.76Å; W527-I550 HydrophobicContact CG-CG2 4.39Å; K528-I550 WeakPolarHBondContact O-CG1 3.06Å; K528-I550 WeakPolarHBondContact O-CG2 3.48Å; V530-I550 HydrophobicContact CG1-CD1 3.88Å; V530-I550 HydrophobicContact CG1-CG1 3.4Å; V530-I550 VanDerWaalsContact CG1-CG1 3.4Å; I550-V552 HydrophobicContact CG2-CG2 4.08Å; I550-L563 HydrophobicContact CB-CB 4.16Å; I550-L563 HydrophobicContact CB-CD1 4.39Å; I550-L563 PolarHBondContact N-O 2.99Å; I550-L563 PolarHBondContact O-N 3.15Å; I550-F565 HydrophobicContact CD1-CD2 4.43Å; I550-F565 HydrophobicContact CD1-CE2 3.55Å; I550-F565 HydrophobicContact CD1-CZ 4.04Å; I550-F565 HydrophobicContact CG1-CD2 4.44Å; I550-F565 HydrophobicContact CG1-CE2 3.94Å
551	D	97.4	Very high	95.1	Very high	65 Å²	65	44.8 Å²	44.8	35%	0.348	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	111.5	164.9	-68.4	-49.5	0	0	0	109.2	V553 C561 H562	D551-V553 HydrophobicContact CB-CG2 4.35Å; D551-C561 WeakPolarHBondContact CA-O 3.45Å; D551-H562 IonicContact OD1-CE1 3.65Å; D551-H562 IonicContact OD1-CG 2.67Å; D551-H562 IonicContact OD1-ND1 3.68Å; D551-H562 PolarHBondContact OD1-ND1 2.91Å
552	V	98.3	Very high	95.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.5	167.9	-169.6	0	0	0	0	107.5	M425 V428 Y525 W527 I550 R560 C561 L563	M425-V552 HydrophobicContact SD-CB 3.84Å; M425-V552 HydrophobicContact SD-CG1 3.54Å; M425-V552 VanDerWaalsContact SD-CG1 3.54Å; V428-V552 HydrophobicContact CG1-CG1 3.78Å; Y525-V552 HydrophobicContact CD1-CG1 4.26Å; W527-V552 HydrophobicContact CB-CB 4.39Å; W527-V552 HydrophobicContact CB-CG1 4.47Å; W527-V552 HydrophobicContact CB-CG2 4.03Å; W527-V552 HydrophobicContact CE3-CG1 4.16Å; W527-V552 HydrophobicContact CG-CG2 4.45Å; I550-V552 HydrophobicContact CG2-CG2 4.08Å; V552-R560 CarbonylContact O-C 3.6Å; V552-R560 VanDerWaalsContact O-CA 3.28Å; V552-R560 WeakPolarHBondContact O-CA 3.42Å; V552-C561 HydrophobicContact CB-CB 4.15Å; V552-C561 PolarHBondContact N-O 3.45Å; V552-C561 PolarHBondContact O-N 3.39Å; V552-L563 HydrophobicContact CG2-CD1 4.15Å
553	V	97.6	Very high	96.5	Very high	16 Å²	16	36.2 Å²	36.2	10%	0.097	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.2	-173.7	-177.1	0	0	0	0	109.7	Y525 S526 D551 R560	Y525-V553 CarbonylContact C-O 3.59Å; Y525-V553 WeakPolarHBondContact CA-O 3.31Å; S526-V553 PolarHBondContact N-O 2.88Å; S526-V553 PolarHBondContact O-N 3.44Å; D551-V553 HydrophobicContact CB-CG2 4.35Å; V553-R560 HydrophobicContact CG1-CG 4.31Å; V553-R560 HydrophobicContact CG2-CG 4.25Å
554	N	97.6	Very high	96.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.2	166.3	-175.6	-20.7	0	0	0	109.1	M425 N523 H524 Y525 K556 T557 G558 D559	M425-N554 HydrophobicContact CE-CB 3.84Å; N523-N554 VanDerWaalsContact CG-ND2 3.28Å; N523-N554 PolarHBondContact ND2-ND2 2.98Å; N523-N554 PolarHBondContact OD1-ND2 2.75Å; H524-N554 WeakPolarHBondContact O-CA 3.45Å; Y525-N554 HydrophobicContact CD1-CB 3.88Å; Y525-N554 HydrophobicContact CE1-CB 3.63Å; Y525-N554 PolarHBondContact OH-ND2 3.26Å; N554-K556 VanDerWaalsContact C-N 3.29Å; N554-K556 PolarHBondContact O-N 2.88Å; N554-K556 WeakPolarHBondContact OD1-CB 3.5Å; N554-K556 PolarHBondContact OD1-N 2.85Å; N554-T557 PolarHBondContact ND2-OG1 2.81Å; N554-T557 VanDerWaalsContact ND2-OG1 3.09Å; N554-T557 PolarHBondContact OD1-N 2.84Å; N554-G558 VanDerWaalsContact O-CA 3.29Å; N554-G558 WeakPolarHBondContact O-CA 3.4Å; N554-G558 PolarHBondContact O-N 2.98Å; N554-D559 HydrophobicContact CB-CB 4.3Å; N554-D559 PolarHBondContact N-O 2.8Å
555	H	95.6	Very high	97	Very high	70 Å²	70	36.5 Å²	36.5	32%	0.324	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-19.4	-176.3	-64.4	-73	0	0	0	114	H524 S526 V735	H524-H555 PolarHBondContact O-CD2 2.85Å; H524-H555 PolarHBondContact O-N 2.78Å; S526-H555 WeakPolarHBondContact CB-NE2 3.23Å; S526-H555 PolarHBondContact OG-CE1 2.81Å; S526-H555 PolarHBondContact OG-NE2 3.41Å; H555-V735 HydrophobicContact CB-CG1 3.41Å; H555-V735 VanDerWaalsContact CB-CG1 3.41Å; H555-V735 VanDerWaalsContact CD2-CG1 3.47Å; H555-V735 WeakPolarHBondContact CD2-CG1 3.32Å
556	K	95	Very high	96.9	Very high	118 Å²	118	37.4 Å²	37.4	51%	0.513	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-48.6	178.6	175.3	170.9	168.4	-175.5	0	112	S521 N522 N523 N554	S521-K556 PolarHBondContact O-NZ 2.79Å; N522-K556 WeakPolarHBondContact O-CD 3.36Å; N523-K556 WeakPolarHBondContact OD1-CD 3.4Å; N554-K556 VanDerWaalsContact C-N 3.29Å; N554-K556 PolarHBondContact O-N 2.88Å; N554-K556 WeakPolarHBondContact OD1-CB 3.5Å; N554-K556 PolarHBondContact OD1-N 2.85Å
557	T	96.4	Very high	96.6	Very high	43 Å²	43	41.3 Å²	41.3	26%	0.264	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-22.4	-174.8	60.3	0	0	0	0	113.2	N554 D559	N554-T557 PolarHBondContact ND2-OG1 2.81Å; N554-T557 VanDerWaalsContact ND2-OG1 3.09Å; N554-T557 PolarHBondContact OD1-N 2.84Å; T557-D559 VanDerWaalsContact C-N 3.29Å; T557-D559 WeakPolarHBondContact CB-OD2 3.17Å; T557-D559 PolarHBondContact OG1-N 2.86Å; T557-D559 PolarHBondContact OG1-OD2 3.41Å
558	G	96.1	Very high	96.2	Very high	29 Å²	29	45.2 Å²	45.2	30%	0.299	23%	0.233	S	C	.	.			trans	83.4	1.1	-171.5	0	0	0	0	0	113.9	N554	N554-G558 VanDerWaalsContact O-CA 3.29Å; N554-G558 WeakPolarHBondContact O-CA 3.4Å; N554-G558 PolarHBondContact O-N 2.98Å
559	D	97.7	Very high	95.5	Very high	8 Å²	8	46 Å²	46	4%	0.043	23%	0.234	C	C	.	.			trans	-63.6	147.6	176.4	-55.6	-33.4	0	0	0	110.7	S421 L422 M425 N554 T557 T584 D585	S421-D559 WeakPolarHBondContact CB-OD2 3.46Å; S421-D559 PolarHBondContact OG-OD2 2.89Å; L422-D559 HydrophobicContact CD2-CB 4.14Å; M425-D559 HydrophobicContact CE-CB 4.07Å; M425-D559 WeakPolarHBondContact CE-O 3.39Å; N554-D559 HydrophobicContact CB-CB 4.3Å; N554-D559 PolarHBondContact N-O 2.8Å; T557-D559 VanDerWaalsContact C-N 3.29Å; T557-D559 WeakPolarHBondContact CB-OD2 3.17Å; T557-D559 PolarHBondContact OG1-N 2.86Å; T557-D559 PolarHBondContact OG1-OD2 3.41Å; D559-T584 WeakPolarHBondContact CA-O 3.43Å; D559-D585 WeakPolarHBondContact OD1-CA 3.21Å
560	R	98.1	Very high	94.1	Very high	123 Å²	123	46.9 Å²	46.9	46%	0.464	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	147.4	-178.9	-64	-175.1	179	-120.7	-3.6	111.8	V552 V553 V583 T584	V552-R560 CarbonylContact O-C 3.6Å; V552-R560 VanDerWaalsContact O-CA 3.28Å; V552-R560 WeakPolarHBondContact O-CA 3.42Å; V553-R560 HydrophobicContact CG1-CG 4.31Å; V553-R560 HydrophobicContact CG2-CG 4.25Å; R560-V583 CarbonylContact O-C 3.48Å; R560-V583 WeakPolarHBondContact O-CA 3.23Å; R560-T584 PolarHBondContact N-O 2.84Å; R560-T584 PolarHBondContact O-N 2.88Å; R560-T584 PolarHBondContact O-OG1 2.49Å
561	C	98.5	Very high	92.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.4	163.9	-172.4	0	0	0	0	109.4	M425 A429 D551 V552 V582 V583	M425-C561 HydrophobicContact CG-CB 3.71Å; M425-C561 HydrophobicContact SD-CB 3.88Å; A429-C561 HydrophobicContact CB-CB 4.33Å; D551-C561 WeakPolarHBondContact CA-O 3.45Å; V552-C561 HydrophobicContact CB-CB 4.15Å; V552-C561 PolarHBondContact N-O 3.45Å; V552-C561 PolarHBondContact O-N 3.39Å; C561-V582 WeakPolarHBondContact CA-O 3.33Å; C561-V583 HydrophobicContact CB-CG2 3.99Å
562	H	98.3	Very high	91.6	Very high	44 Å²	44	50.5 Å²	50.5	20%	0.204	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	107.7	173.1	-176.1	77	0	0	0	109.2	E549 D551 G581 V582	E549-H562 IonicContact OE2-CE1 2.99Å; E549-H562 PolarHBondContact OE2-CE1 3.34Å; E549-H562 IonicContact OE2-NE2 3.18Å; D551-H562 IonicContact OD1-CE1 3.65Å; D551-H562 IonicContact OD1-CG 2.67Å; D551-H562 IonicContact OD1-ND1 3.68Å; D551-H562 PolarHBondContact OD1-ND1 2.91Å; H562-G581 VanDerWaalsContact O-CA 3.23Å; H562-G581 WeakPolarHBondContact O-CA 3.43Å; H562-V582 PolarHBondContact N-O 3.37Å; H562-V582 PolarHBondContact O-N 3.17Å; H562-V582 VanDerWaalsContact O-N 3.09Å
563	L	98.3	Very high	90.6	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	139.1	177.3	-67	166.5	0	0	0	110.3	A429 T432 V433 E549 I550 V552 F565 V579 T580	A429-L563 HydrophobicContact CB-CD1 4.17Å; A429-L563 HydrophobicContact CB-CD2 4.38Å; T432-L563 HydrophobicContact CG2-CD1 4.36Å; V433-L563 HydrophobicContact CG2-CD1 4.03Å; V433-L563 HydrophobicContact CG2-CD2 4.24Å; E549-L563 CarbonylContact C-O 3.2Å; E549-L563 VanDerWaalsContact CA-O 3.22Å; E549-L563 WeakPolarHBondContact CA-O 3.49Å; I550-L563 HydrophobicContact CB-CB 4.16Å; I550-L563 HydrophobicContact CB-CD1 4.39Å; I550-L563 PolarHBondContact N-O 2.99Å; I550-L563 PolarHBondContact O-N 3.15Å; V552-L563 HydrophobicContact CG2-CD1 4.15Å; L563-F565 HydrophobicContact CB-CE2 4.29Å; L563-V579 HydrophobicContact CD2-CG1 4.33Å; L563-T580 CarbonylContact C-O 3.55Å; L563-T580 WeakPolarHBondContact CA-O 3.34Å
564	K	97.4	Very high	89.6	Confident	78 Å²	78	66 Å²	66	34%	0.339	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.9	178.3	-178.1	172.3	-174.7	160.6	0	110.4	E549 V579 T580	E549-K564 HydrophobicContact CG-CB 4.49Å; E549-K564 HydrophobicContact CG-CG 4.32Å; K564-V579 WeakPolarHBondContact O-CA 3.11Å; K564-T580 PolarHBondContact N-O 2.86Å; K564-T580 PolarHBondContact O-N 2.7Å
565	F	97.3	Very high	89	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.009	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	107.6	173.6	-69.5	-109.1	0	0	0	108	V433 Y436 V530 Q546 G548 I550 L563 P567 V579 W598	V433-F565 HydrophobicContact CG2-CZ 3.96Å; Y436-F565 AromaticContact CD2-CE1 3.85Å; Y436-F565 HydrophobicContact CD2-CE1 3.85Å; Y436-F565 AromaticContact CD2-CZ 3.97Å; Y436-F565 HydrophobicContact CD2-CZ 3.97Å; Y436-F565 HydrophobicContact CE2-CE1 4.13Å; Y436-F565 AromaticContact CE2-CZ 3.89Å; Y436-F565 HydrophobicContact CE2-CZ 3.89Å; Y436-F565 HydrophobicContact CG-CE1 4.45Å; V530-F565 HydrophobicContact CG1-CD2 3.9Å; V530-F565 HydrophobicContact CG1-CE2 4.28Å; V530-F565 HydrophobicContact CG1-CG 4.42Å; V530-F565 HydrophobicContact CG2-CD1 4.23Å; V530-F565 HydrophobicContact CG2-CD2 4.27Å; V530-F565 HydrophobicContact CG2-CE1 4.4Å; V530-F565 HydrophobicContact CG2-CE2 4.46Å; V530-F565 HydrophobicContact CG2-CG 4.17Å; Q546-F565 HydrophobicContact CB-CD1 4.09Å; G548-F565 PolarHBondContact N-O 3.38Å; G548-F565 WeakPolarHBondContact O-CB 3.26Å; G548-F565 PolarHBondContact O-N 3.42Å; I550-F565 HydrophobicContact CD1-CD2 4.43Å; I550-F565 HydrophobicContact CD1-CE2 3.55Å; I550-F565 HydrophobicContact CD1-CZ 4.04Å; I550-F565 HydrophobicContact CG1-CD2 4.44Å; I550-F565 HydrophobicContact CG1-CE2 3.94Å; L563-F565 HydrophobicContact CB-CE2 4.29Å; F565-P567 WeakPolarHBondContact O-CD 3.48Å; F565-V579 HydrophobicContact CD1-CG2 3.59Å; F565-V579 HydrophobicContact CD2-CG1 4.39Å; F565-V579 HydrophobicContact CE1-CG2 3.74Å; F565-V579 HydrophobicContact CE2-CG1 4.24Å; F565-V579 HydrophobicContact CG-CG2 4.09Å; F565-V579 HydrophobicContact CZ-CG1 4.32Å; F565-V579 HydrophobicContact CZ-CG2 4.33Å; F565-W598 HydrophobicContact CD1-CB 4.44Å; F565-W598 AromaticContact CD1-CD1 3.91Å; F565-W598 HydrophobicContact CD1-CG 4.38Å; F565-W598 HydrophobicContact CE1-CB 4.01Å; F565-W598 HydrophobicContact CE1-CG 4.36Å
566	A	93.1	Very high	88.7	Confident	23 Å²	23	70.5 Å²	70.5	19%	0.19	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-67.9	120.4	-178	0	0	0	0	0	109.7	K578	A566-K578 HydrophobicContact CB-CB 4.22Å; A566-K578 WeakPolarHBondContact CB-O 3.13Å; A566-K578 PolarHBondContact N-O 2.95Å
567	P	90.1	Very high	88.7	Confident	83 Å²	83	68.4 Å²	68.4	54%	0.539	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-64.5	144.4	175.9	27.1	-33.4	0	0	0	110	F565 S569	F565-P567 WeakPolarHBondContact O-CD 3.48Å; P567-S569 PolarHBondContact O-N 2.99Å
568	Y	86.3	Confident	88.6	Confident	107 Å²	107	68.8 Å²	68.8	42%	0.42	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-57.2	132.9	172	178.4	-94.8	0	0	0	111	W543 D545	W543-Y568 AromaticContact CH2-CD1 3.45Å; W543-Y568 HydrophobicContact CH2-CD1 3.45Å; W543-Y568 VanDerWaalsContact CH2-CD1 3.45Å; W543-Y568 HydrophobicContact CH2-CD2 4.23Å; W543-Y568 HydrophobicContact CH2-CE1 4.1Å; W543-Y568 AromaticContact CH2-CG 3.51Å; W543-Y568 HydrophobicContact CH2-CG 3.51Å; W543-Y568 AromaticContact CZ2-CD1 3.95Å; W543-Y568 HydrophobicContact CZ2-CD1 3.95Å; W543-Y568 HydrophobicContact CZ2-CE1 4.21Å; W543-Y568 HydrophobicContact CZ2-CG 4.4Å; W543-Y568 HydrophobicContact CZ3-CD1 4.43Å; W543-Y568 HydrophobicContact CZ3-CG 4.08Å; D545-Y568 WeakPolarHBondContact OD2-CB 3.15Å; D545-Y568 PolarHBondContact OD2-N 3.43Å
569	S	80.9	Confident	88.7	Confident	49 Å²	49	67.4 Å²	67.4	34%	0.343	32%	0.321	S	S	.	.			trans	-145	124.2	177.9	172.8	0	0	0	0	109.9	P567 F571 S572	P567-S569 PolarHBondContact O-N 2.99Å; S569-F571 PolarHBondContact O-N 3.49Å; S569-F571 VanDerWaalsContact O-N 3.16Å; S569-F571 PolarHBondContact OG-N 3.34Å; S569-S572 PolarHBondContact O-N 2.96Å; S569-S572 VanDerWaalsContact O-N 3.14Å
570	Y	67.4	Low	88.7	Confident	123 Å²	123	67.8 Å²	67.8	48%	0.482	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.8	178.9	-162.3	-93.8	0	0	0	113.3	E244	E244-Y570 PolarHBondContact OE1-OH 2.88Å
571	F	69.3	Low	88.6	Confident	93 Å²	93	62 Å²	62	41%	0.408	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-1.2	-177.7	-55.2	-75.1	0	0	0	113	K248 N251 S569	K248-F571 HydrophobicContact CG-CZ 4.33Å; N251-F571 HydrophobicContact CB-CE2 3.78Å; S569-F571 PolarHBondContact O-N 3.49Å; S569-F571 VanDerWaalsContact O-N 3.16Å; S569-F571 PolarHBondContact OG-N 3.34Å
572	S	73.8	Confident	88.6	Confident	51 Å²	51	62.7 Å²	62.7	36%	0.357	31%	0.307	S	S	.	.			trans	-81.8	138.7	175.8	-166.3	0	0	0	0	109.9	S569 D574	S569-S572 PolarHBondContact O-N 2.96Å; S569-S572 VanDerWaalsContact O-N 3.14Å; S572-D574 VanDerWaalsContact OG-CB 3.3Å; S572-D574 WeakPolarHBondContact OG-CB 3.5Å; S572-D574 PolarHBondContact OG-N 3.35Å; S572-D574 PolarHBondContact OG-OD2 2.97Å
573	R	77	Confident	88.6	Confident	259 Å²	259	60.6 Å²	60.6	98%	0.977	30%	0.297	S	S	*	.			trans	-83.7	-2.9	165.9	-57.3	-179.4	99.2	179.8	6.5	111.7
574	D	77	Confident	88.5	Confident	83 Å²	83	61.9 Å²	61.9	44%	0.444	31%	0.305	S	S	.	.	S	Bend	trans	-66.8	148.6	176	-76.4	-58.1	0	0	0	111.6	S572 K578	S572-D574 VanDerWaalsContact OG-CB 3.3Å; S572-D574 WeakPolarHBondContact OG-CB 3.5Å; S572-D574 PolarHBondContact OG-N 3.35Å; S572-D574 PolarHBondContact OG-OD2 2.97Å; D574-K578 HydrophobicContact CB-CD 4.31Å; D574-K578 IonicContact OD1-NZ 2.87Å; D574-K578 PolarHBondContact OD1-NZ 3.26Å
575	V	85.8	Confident	88.5	Confident	89 Å²	89	59.4 Å²	59.4	54%	0.539	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-55.4	128.7	169.6	-175.1	0	0	0	0	109	K578 T597	V575-K578 WeakPolarHBondContact O-CB 3.33Å; V575-K578 PolarHBondContact O-N 3.45Å; V575-T597 HydrophobicContact CG1-CG2 3.92Å
576	P	88.8	Confident	88.4	Confident	75 Å²	75	66.3 Å²	66.3	49%	0.487	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	149.8	173.4	-25	34.3	0	0	0	111.1	K578	P576-K578 PolarHBondContact O-N 3.07Å; P576-K578 VanDerWaalsContact O-N 3.07Å
577	R	94.3	Very high	88.5	Confident	74 Å²	74	70.7 Å²	70.7	28%	0.279	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	16.2	176.5	-55.2	178.5	-175.3	120.7	7.2	115	V579 T597 W598 D599	R577-V579 PolarHBondContact O-N 2.92Å; R577-T597 VanDerWaalsContact O-CA 3.27Å; R577-T597 WeakPolarHBondContact O-CA 3.41Å; R577-T597 WeakPolarHBondContact O-CB 3.43Å; R577-W598 HydrophobicContact CB-CD2 4.29Å; R577-W598 HydrophobicContact CB-CG 4.35Å; R577-W598 HydrophobicContact CB-CZ2 4.1Å; R577-W598 VanDerWaalsContact CB-NE1 3.29Å; R577-W598 VanDerWaalsContact CD-CZ2 3.46Å; R577-W598 HydrophobicContact CG-CH2 4.43Å; R577-W598 HydrophobicContact CG-CZ2 3.51Å; R577-W598 PolarHBondContact O-N 3.39Å; R577-D599 WeakPolarHBondContact CD-OD1 3.37Å; R577-D599 WeakPolarHBondContact CD-OD2 3.26Å; R577-D599 IonicContact CZ-OD2 2.76Å; R577-D599 IonicContact NE-OD2 2.7Å; R577-D599 IonicContact NH1-OD2 2.85Å; R577-D599 PolarHBondContact NH1-OD2 3.39Å
578	K	95.9	Very high	88.5	Confident	52 Å²	52	67.7 Å²	67.7	23%	0.226	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	134.6	178.3	177.3	173.4	176.9	179.2	0	111.5	A566 D574 V575 P576 T580 G596	A566-K578 HydrophobicContact CB-CB 4.22Å; A566-K578 WeakPolarHBondContact CB-O 3.13Å; A566-K578 PolarHBondContact N-O 2.95Å; D574-K578 HydrophobicContact CB-CD 4.31Å; D574-K578 IonicContact OD1-NZ 2.87Å; D574-K578 PolarHBondContact OD1-NZ 3.26Å; V575-K578 WeakPolarHBondContact O-CB 3.33Å; V575-K578 PolarHBondContact O-N 3.45Å; P576-K578 PolarHBondContact O-N 3.07Å; P576-K578 VanDerWaalsContact O-N 3.07Å; K578-T580 HydrophobicContact CG-CG2 4.28Å; K578-G596 WeakPolarHBondContact CA-O 3.4Å
579	V	97.5	Very high	88.8	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.8	171.3	-175.1	0	0	0	0	108.5	V433 L563 K564 F565 R577 S595 G596 W598 M602	V433-V579 HydrophobicContact CG1-CG2 4.33Å; V433-V579 HydrophobicContact CG2-CG1 3.96Å; L563-V579 HydrophobicContact CD2-CG1 4.33Å; K564-V579 WeakPolarHBondContact O-CA 3.11Å; F565-V579 HydrophobicContact CD1-CG2 3.59Å; F565-V579 HydrophobicContact CD2-CG1 4.39Å; F565-V579 HydrophobicContact CE1-CG2 3.74Å; F565-V579 HydrophobicContact CE2-CG1 4.24Å; F565-V579 HydrophobicContact CG-CG2 4.09Å; F565-V579 HydrophobicContact CZ-CG1 4.32Å; F565-V579 HydrophobicContact CZ-CG2 4.33Å; R577-V579 PolarHBondContact O-N 2.92Å; V579-S595 WeakPolarHBondContact O-CA 3.36Å; V579-G596 PolarHBondContact N-O 3.17Å; V579-G596 PolarHBondContact O-N 2.91Å; V579-W598 HydrophobicContact CG2-CB 3.85Å; V579-W598 HydrophobicContact CG2-CG 4.28Å; V579-M602 HydrophobicContact CB-SD 4.1Å; V579-M602 HydrophobicContact CG1-CE 4.41Å; V579-M602 HydrophobicContact CG1-SD 4.43Å
580	T	97	Very high	89.5	Confident	16 Å²	16	67.5 Å²	67.5	10%	0.098	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.3	172.9	56.7	0	0	0	0	109.6	L563 K564 K578 L594	L563-T580 CarbonylContact C-O 3.55Å; L563-T580 WeakPolarHBondContact CA-O 3.34Å; K564-T580 PolarHBondContact N-O 2.86Å; K564-T580 PolarHBondContact O-N 2.7Å; K578-T580 HydrophobicContact CG-CG2 4.28Å; T580-L594 CarbonylContact C-O 3.56Å; T580-L594 WeakPolarHBondContact CA-O 3.18Å
581	G	97	Very high	90.8	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154	177.5	0	0	0	0	0	112.6	H562 V593 L594	H562-G581 VanDerWaalsContact O-CA 3.23Å; H562-G581 WeakPolarHBondContact O-CA 3.43Å; G581-V593 CarbonylContact O-C 3.6Å; G581-V593 WeakPolarHBondContact O-CA 3.31Å; G581-L594 PolarHBondContact N-O 2.98Å; G581-L594 PolarHBondContact O-N 3.43Å
582	V	97.4	Very high	92.2	Very high	15 Å²	15	60.3 Å²	60.3	9%	0.091	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.6	169.2	-175.7	0	0	0	0	108.6	V306 C561 H562 T584 A590 Y592 Y625	V306-V582 HydrophobicContact CG1-CG2 4.15Å; C561-V582 WeakPolarHBondContact CA-O 3.33Å; H562-V582 PolarHBondContact N-O 3.37Å; H562-V582 PolarHBondContact O-N 3.17Å; H562-V582 VanDerWaalsContact O-N 3.09Å; V582-T584 HydrophobicContact CG1-CG2 4.12Å; V582-A590 HydrophobicContact CG1-CB 3.73Å; V582-Y592 WeakPolarHBondContact CA-O 3.5Å; V582-Y625 HydrophobicContact CG2-CE2 4.23Å
583	V	98.1	Very high	93.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.5	173.2	-178.7	0	0	0	0	109	L422 M425 R560 C561 A590 H591 Y592 L594	L422-V583 HydrophobicContact CB-CG1 4.46Å; L422-V583 HydrophobicContact CD2-CG1 3.79Å; M425-V583 HydrophobicContact CB-CG1 4.14Å; M425-V583 HydrophobicContact CG-CG1 3.89Å; M425-V583 HydrophobicContact CG-CG2 4.13Å; R560-V583 CarbonylContact O-C 3.48Å; R560-V583 WeakPolarHBondContact O-CA 3.23Å; C561-V583 HydrophobicContact CB-CG2 3.99Å; V583-A590 WeakPolarHBondContact O-CA 3.47Å; V583-H591 PolarHBondContact O-N 2.95Å; V583-Y592 HydrophobicContact CB-CD2 4.5Å; V583-Y592 PolarHBondContact N-O 3.01Å; V583-Y592 PolarHBondContact O-N 3.19Å; V583-L594 HydrophobicContact CG2-CD1 3.56Å
584	T	97.3	Very high	94.3	Very high	26 Å²	26	45.6 Å²	45.6	16%	0.16	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146.2	178.6	57.7	0	0	0	0	110.9	D559 R560 V582 K589 A590	D559-T584 WeakPolarHBondContact CA-O 3.43Å; R560-T584 PolarHBondContact N-O 2.84Å; R560-T584 PolarHBondContact O-N 2.88Å; R560-T584 PolarHBondContact O-OG1 2.49Å; V582-T584 HydrophobicContact CG1-CG2 4.12Å; T584-K589 CarbonylContact C-O 3.57Å; T584-K589 WeakPolarHBondContact CA-O 3.43Å; T584-A590 HydrophobicContact CG2-CB 4.25Å
585	D	96.6	Very high	95.2	Very high	26 Å²	26	43.4 Å²	43.4	14%	0.139	23%	0.227	C	C	.	.			trans	-74.4	177.4	167.4	62.7	24.1	0	0	0	111.9	L422 D559 D587 G588 K589 H591	L422-D585 HydrophobicContact CD2-CB 4.31Å; D559-D585 WeakPolarHBondContact OD1-CA 3.21Å; D585-D587 PolarHBondContact O-N 2.9Å; D585-D587 VanDerWaalsContact O-N 3.13Å; D585-D587 WeakPolarHBondContact OD1-CA 3.14Å; D585-D587 WeakPolarHBondContact OD1-CB 3.4Å; D585-D587 PolarHBondContact OD1-N 3.39Å; D585-G588 PolarHBondContact O-N 3.04Å; D585-G588 PolarHBondContact OD1-N 3.25Å; D585-G588 VanDerWaalsContact OD1-N 3.11Å; D585-K589 PolarHBondContact N-O 3.41Å; D585-K589 WeakPolarHBondContact OD1-CB 3.41Å; D585-K589 PolarHBondContact OD1-N 3.01Å; D585-K589 WeakPolarHBondContact OD2-CB 3.24Å; D585-H591 IonicContact OD2-CD2 3.71Å; D585-H591 IonicContact OD2-CE1 3.09Å; D585-H591 IonicContact OD2-NE2 3.9Å; D585-H591 PolarHBondContact OD2-NE2 3.42Å
586	K	95.7	Very high	95.7	Very high	147 Å²	147	40 Å²	40	64%	0.639	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.4	176.6	70.6	179.7	-174.7	175.7	0	114.5	G588	K586-G588 VanDerWaalsContact C-N 3.28Å
587	D	94.5	Very high	96.2	Very high	115 Å²	115	37.2 Å²	37.2	62%	0.615	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.6	-178.5	-59.7	-51.1	0	0	0	111.2	D585	D585-D587 PolarHBondContact O-N 2.9Å; D585-D587 VanDerWaalsContact O-N 3.13Å; D585-D587 WeakPolarHBondContact OD1-CA 3.14Å; D585-D587 WeakPolarHBondContact OD1-CB 3.4Å; D585-D587 PolarHBondContact OD1-N 3.39Å
588	G	90.3	Very high	96.3	Very high	20 Å²	20	33.7 Å²	33.7	21%	0.206	18%	0.178	C	C	.	.			trans	82.7	10.9	179.9	0	0	0	0	0	113.7	D585 K586	D585-G588 PolarHBondContact O-N 3.04Å; D585-G588 PolarHBondContact OD1-N 3.25Å; D585-G588 VanDerWaalsContact OD1-N 3.11Å; K586-G588 VanDerWaalsContact C-N 3.28Å
589	K	93.7	Very high	96.3	Very high	136 Å²	136	32.7 Å²	32.7	59%	0.591	18%	0.175	S	C	*	.			trans	-78.6	127.2	175.8	176.9	-177.3	176.6	-179.3	0	109.2	T584 D585 H591	T584-K589 CarbonylContact C-O 3.57Å; T584-K589 WeakPolarHBondContact CA-O 3.43Å; D585-K589 PolarHBondContact N-O 3.41Å; D585-K589 WeakPolarHBondContact OD1-CB 3.41Å; D585-K589 PolarHBondContact OD1-N 3.01Å; D585-K589 WeakPolarHBondContact OD2-CB 3.24Å; K589-H591 PolarHBondContact O-CD2 3.38Å
590	A	94.8	Very high	96.3	Very high	16 Å²	16	37.5 Å²	37.5	13%	0.132	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	132.6	177.6	0	0	0	0	0	111.2	V582 V583 T584 I607 Y625	V582-A590 HydrophobicContact CG1-CB 3.73Å; V583-A590 WeakPolarHBondContact O-CA 3.47Å; T584-A590 HydrophobicContact CG2-CB 4.25Å; A590-I607 HydrophobicContact CB-CD1 3.51Å; A590-Y625 HydrophobicContact CB-CE1 3.75Å
591	H	95.8	Very high	96.3	Very high	40 Å²	40	39.4 Å²	39.4	19%	0.185	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-32.3	179.3	-70.4	-92.8	0	0	0	113.6	L422 V583 D585 K589 I607	L422-H591 HydrophobicContact CD1-CB 4.05Å; V583-H591 PolarHBondContact O-N 2.95Å; D585-H591 IonicContact OD2-CD2 3.71Å; D585-H591 IonicContact OD2-CE1 3.09Å; D585-H591 IonicContact OD2-NE2 3.9Å; D585-H591 PolarHBondContact OD2-NE2 3.42Å; K589-H591 PolarHBondContact O-CD2 3.38Å; H591-I607 PolarHBondContact O-N 2.9Å
592	Y	97.3	Very high	96.4	Very high	25 Å²	25	39.4 Å²	39.4	10%	0.098	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.4	177.8	-62.7	-92.5	0	0	0	111.3	L422 V582 V583 F604 S605 R606	L422-Y592 HydrophobicContact CB-CD2 4.31Å; L422-Y592 HydrophobicContact CB-CE2 3.93Å; V582-Y592 WeakPolarHBondContact CA-O 3.5Å; V583-Y592 HydrophobicContact CB-CD2 4.5Å; V583-Y592 PolarHBondContact N-O 3.01Å; V583-Y592 PolarHBondContact O-N 3.19Å; Y592-F604 AromaticContact CD1-CD2 3.45Å; Y592-F604 HydrophobicContact CD1-CD2 3.45Å; Y592-F604 VanDerWaalsContact CD1-CD2 3.45Å; Y592-F604 AromaticContact CD1-CE2 3.87Å; Y592-F604 HydrophobicContact CD1-CE2 3.87Å; Y592-F604 HydrophobicContact CD1-CG 4.47Å; Y592-F604 AromaticContact CE1-CD2 3.8Å; Y592-F604 HydrophobicContact CE1-CD2 3.8Å; Y592-F604 AromaticContact CE1-CE2 3.69Å; Y592-F604 HydrophobicContact CE1-CE2 3.69Å; Y592-F604 HydrophobicContact CG-CD2 4.24Å; Y592-S605 WeakPolarHBondContact CA-O 3.49Å; Y592-R606 HydrophobicContact CD1-CB 4.08Å; Y592-R606 HydrophobicContact CD1-CG 4.48Å; Y592-R606 HydrophobicContact CE1-CB 3.81Å; Y592-R606 HydrophobicContact CE1-CG 4.03Å
593	V	97.3	Very high	96.4	Very high	1 Å²	1	41 Å²	41	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137.3	164.3	172.6	0	0	0	0	108.1	I304 V306 G581 F604 S605 I607 Y625 T627	I304-V593 HydrophobicContact CG2-CG1 4.16Å; V306-V593 HydrophobicContact CG2-CG1 3.5Å; V306-V593 HydrophobicContact CG2-CG2 4.31Å; G581-V593 CarbonylContact O-C 3.6Å; G581-V593 WeakPolarHBondContact O-CA 3.31Å; V593-F604 CarbonylContact O-C 3.47Å; V593-F604 WeakPolarHBondContact O-CA 3.28Å; V593-S605 PolarHBondContact N-O 3.13Å; V593-S605 PolarHBondContact O-N 3Å; V593-I607 HydrophobicContact CG2-CD1 3.77Å; V593-I607 HydrophobicContact CG2-CG1 3.92Å; V593-Y625 HydrophobicContact CG2-CD2 3.6Å; V593-Y625 HydrophobicContact CG2-CE2 4.24Å; V593-Y625 HydrophobicContact CG2-CG 3.93Å; V593-T627 HydrophobicContact CG2-CG2 4.43Å
594	L	97.9	Very high	96.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.8	169.6	-68.9	82.3	0	0	0	109.2	A429 T580 G581 V583 M602 E603 F604 I633	A429-L594 HydrophobicContact CB-CD2 3.75Å; T580-L594 CarbonylContact C-O 3.56Å; T580-L594 WeakPolarHBondContact CA-O 3.18Å; G581-L594 PolarHBondContact N-O 2.98Å; G581-L594 PolarHBondContact O-N 3.43Å; V583-L594 HydrophobicContact CG2-CD1 3.56Å; L594-M602 HydrophobicContact CB-CE 3.79Å; L594-M602 HydrophobicContact CD2-CE 4.3Å; L594-E603 CarbonylContact C-O 3.59Å; L594-E603 VanDerWaalsContact CA-O 3.27Å; L594-E603 WeakPolarHBondContact CA-O 3.41Å; L594-F604 HydrophobicContact CG-CB 4.07Å; L594-I633 HydrophobicContact CD2-CD1 4.04Å
595	S	96.3	Very high	96.3	Very high	38 Å²	38	40.6 Å²	40.6	27%	0.266	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	144.8	176.9	-174.9	0	0	0	0	110.6	V579 E603	V579-S595 WeakPolarHBondContact O-CA 3.36Å; S595-E603 PolarHBondContact N-O 3.01Å; S595-E603 PolarHBondContact O-N 3.25Å
596	G	97.1	Very high	96.2	Very high	16 Å²	16	46.1 Å²	46.1	17%	0.165	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167	-157.4	178.1	0	0	0	0	0	112.3	K578 V579 K601	K578-G596 WeakPolarHBondContact CA-O 3.4Å; V579-G596 PolarHBondContact N-O 3.17Å; V579-G596 PolarHBondContact O-N 2.91Å; G596-K601 CarbonylContact C-O 3.55Å; G596-K601 VanDerWaalsContact CA-O 3.26Å; G596-K601 WeakPolarHBondContact CA-O 3.33Å
597	T	97.6	Very high	96.1	Very high	17 Å²	17	40 Å²	40	10%	0.104	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.6	171	69.4	0	0	0	0	109.6	V575 R577 D599 E600 K601 W634	V575-T597 HydrophobicContact CG1-CG2 3.92Å; R577-T597 VanDerWaalsContact O-CA 3.27Å; R577-T597 WeakPolarHBondContact O-CA 3.41Å; R577-T597 WeakPolarHBondContact O-CB 3.43Å; T597-D599 WeakPolarHBondContact CB-OD1 3.33Å; T597-D599 PolarHBondContact O-N 2.86Å; T597-D599 VanDerWaalsContact O-N 3.09Å; T597-D599 PolarHBondContact OG1-OD1 3.4Å; T597-E600 PolarHBondContact O-N 3.28Å; T597-E600 VanDerWaalsContact OG1-CB 3.32Å; T597-E600 WeakPolarHBondContact OG1-CB 3.49Å; T597-E600 PolarHBondContact OG1-N 3.43Å; T597-K601 PolarHBondContact N-O 2.99Å; T597-K601 PolarHBondContact O-N 2.92Å; T597-K601 VanDerWaalsContact O-O 3.07Å; T597-W634 WeakPolarHBondContact O-CZ3 3.5Å
598	W	97.4	Very high	95.8	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-9.7	-176.3	58.5	-101.6	0	0	0	113.7	V433 S437 V440 Q546 F565 R577 V579 W634	V433-W598 HydrophobicContact CG1-CB 3.88Å; S437-W598 WeakPolarHBondContact CA-O 3.22Å; S437-W598 VanDerWaalsContact CB-O 3.29Å; S437-W598 WeakPolarHBondContact CB-O 3.46Å; V440-W598 HydrophobicContact CB-CZ3 4.31Å; V440-W598 HydrophobicContact CG2-CE3 4.16Å; V440-W598 HydrophobicContact CG2-CH2 4.06Å; V440-W598 HydrophobicContact CG2-CZ3 3.39Å; Q546-W598 HydrophobicContact CB-CD2 4.25Å; Q546-W598 HydrophobicContact CB-CG 4.47Å; Q546-W598 HydrophobicContact CB-CZ2 4.21Å; Q546-W598 HydrophobicContact CG-CD2 3.93Å; Q546-W598 HydrophobicContact CG-CE3 4.1Å; Q546-W598 HydrophobicContact CG-CH2 3.99Å; Q546-W598 HydrophobicContact CG-CZ2 3.79Å; Q546-W598 HydrophobicContact CG-CZ3 4.11Å; F565-W598 HydrophobicContact CD1-CB 4.44Å; F565-W598 AromaticContact CD1-CD1 3.91Å; F565-W598 HydrophobicContact CD1-CG 4.38Å; F565-W598 HydrophobicContact CE1-CB 4.01Å; F565-W598 HydrophobicContact CE1-CG 4.36Å; R577-W598 HydrophobicContact CB-CD2 4.29Å; R577-W598 HydrophobicContact CB-CG 4.35Å; R577-W598 HydrophobicContact CB-CZ2 4.1Å; R577-W598 VanDerWaalsContact CB-NE1 3.29Å; R577-W598 VanDerWaalsContact CD-CZ2 3.46Å; R577-W598 HydrophobicContact CG-CH2 4.43Å; R577-W598 HydrophobicContact CG-CZ2 3.51Å; R577-W598 PolarHBondContact O-N 3.39Å; V579-W598 HydrophobicContact CG2-CB 3.85Å; V579-W598 HydrophobicContact CG2-CG 4.28Å; W598-W634 WeakPolarHBondContact O-CH2 3.37Å
599	D	96.3	Very high	95.4	Very high	31 Å²	31	45.4 Å²	45.4	17%	0.166	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-4.2	-180	68.4	-39.2	0	0	0	114.8	V440 R577 T597 K636	V440-D599 HydrophobicContact CG2-CB 3.51Å; R577-D599 WeakPolarHBondContact CD-OD1 3.37Å; R577-D599 WeakPolarHBondContact CD-OD2 3.26Å; R577-D599 IonicContact CZ-OD2 2.76Å; R577-D599 IonicContact NE-OD2 2.7Å; R577-D599 IonicContact NH1-OD2 2.85Å; R577-D599 PolarHBondContact NH1-OD2 3.39Å; T597-D599 WeakPolarHBondContact CB-OD1 3.33Å; T597-D599 PolarHBondContact O-N 2.86Å; T597-D599 VanDerWaalsContact O-N 3.09Å; T597-D599 PolarHBondContact OG1-OD1 3.4Å; D599-K636 WeakPolarHBondContact O-CD 3.4Å
600	E	96.9	Very high	94.7	Very high	100 Å²	100	43 Å²	43	47%	0.467	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.9	-62.2	-176.2	-165.6	-170.9	151.4	0	0	113.6	T597 R635 K636	T597-E600 PolarHBondContact O-N 3.28Å; T597-E600 VanDerWaalsContact OG1-CB 3.32Å; T597-E600 WeakPolarHBondContact OG1-CB 3.49Å; T597-E600 PolarHBondContact OG1-N 3.43Å; E600-R635 CarbonylContact O-C 3.51Å; E600-R635 WeakPolarHBondContact O-CA 3.46Å; E600-R635 IonicContact OE1-NH1 3.51Å; E600-K636 WeakPolarHBondContact O-CB 3.35Å; E600-K636 PolarHBondContact O-N 3.49Å
601	K	97.9	Very high	93.6	Very high	57 Å²	57	45.5 Å²	45.5	25%	0.248	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	161.3	-173.8	64.5	172.5	-177.6	159.9	0	113.1	G596 T597 E603 W634 R635	G596-K601 CarbonylContact C-O 3.55Å; G596-K601 VanDerWaalsContact CA-O 3.26Å; G596-K601 WeakPolarHBondContact CA-O 3.33Å; T597-K601 PolarHBondContact N-O 2.99Å; T597-K601 PolarHBondContact O-N 2.92Å; T597-K601 VanDerWaalsContact O-O 3.07Å; K601-E603 IonicContact NZ-OE1 3.45Å; K601-E603 PolarHBondContact NZ-OE1 3.08Å; K601-W634 CarbonylContact C-O 3.58Å; K601-W634 VanDerWaalsContact CA-O 3.27Å; K601-W634 WeakPolarHBondContact CA-O 3.23Å; K601-W634 WeakPolarHBondContact CB-O 3.43Å; K601-R635 HydrophobicContact CB-CB 4.45Å
602	M	98.3	Very high	92	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.8	171.3	-73.8	-65	-62.8	0	0	110.5	V433 V579 L594 I633 W634	V433-M602 HydrophobicContact CB-CG 4.22Å; V433-M602 HydrophobicContact CG1-CG 3.8Å; V433-M602 HydrophobicContact CG1-SD 4.01Å; V433-M602 HydrophobicContact CG2-CE 4.48Å; V579-M602 HydrophobicContact CB-SD 4.1Å; V579-M602 HydrophobicContact CG1-CE 4.41Å; V579-M602 HydrophobicContact CG1-SD 4.43Å; L594-M602 HydrophobicContact CB-CE 3.79Å; L594-M602 HydrophobicContact CD2-CE 4.3Å; M602-I633 HydrophobicContact CB-CD1 4.49Å; M602-I633 HydrophobicContact CB-CG1 4.12Å; M602-I633 VanDerWaalsContact O-CG1 3.23Å; M602-I633 WeakPolarHBondContact O-CG1 3.38Å; M602-I633 PolarHBondContact O-N 3.38Å; M602-W634 HydrophobicContact CB-CB 4.39Å; M602-W634 HydrophobicContact CB-CE3 3.9Å; M602-W634 HydrophobicContact CG-CE3 3.65Å; M602-W634 HydrophobicContact CG-CZ3 4.07Å; M602-W634 PolarHBondContact N-O 3.38Å; M602-W634 PolarHBondContact O-N 2.89Å
603	E	98	Very high	89.9	Confident	48 Å²	48	50.1 Å²	50.1	22%	0.224	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	155.3	175	-67.5	167.3	-176.2	0	0	109.7	L594 S595 K601 P630 K631 E632	L594-E603 CarbonylContact C-O 3.59Å; L594-E603 VanDerWaalsContact CA-O 3.27Å; L594-E603 WeakPolarHBondContact CA-O 3.41Å; S595-E603 PolarHBondContact N-O 3.01Å; S595-E603 PolarHBondContact O-N 3.25Å; K601-E603 IonicContact NZ-OE1 3.45Å; K601-E603 PolarHBondContact NZ-OE1 3.08Å; E603-P630 HydrophobicContact CB-CB 4.28Å; E603-K631 CarbonylContact C-O 3.53Å; E603-K631 VanDerWaalsContact CA-O 3.26Å; E603-K631 WeakPolarHBondContact CA-O 3.39Å; E603-E632 HydrophobicContact CG-CB 4.23Å
604	F	96.8	Very high	87.3	Confident	13 Å²	13	59.3 Å²	59.3	6%	0.057	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.2	167.6	77.6	-41.7	0	0	0	111.5	E423 C426 Y592 V593 L594 K631 I633	E423-F604 HydrophobicContact CG-CE2 4.42Å; C426-F604 HydrophobicContact CB-CD2 3.77Å; C426-F604 HydrophobicContact CB-CE2 4.18Å; C426-F604 HydrophobicContact CB-CG 4.42Å; C426-F604 VanDerWaalsContact SG-CD2 3.57Å; Y592-F604 AromaticContact CD1-CD2 3.45Å; Y592-F604 HydrophobicContact CD1-CD2 3.45Å; Y592-F604 VanDerWaalsContact CD1-CD2 3.45Å; Y592-F604 AromaticContact CD1-CE2 3.87Å; Y592-F604 HydrophobicContact CD1-CE2 3.87Å; Y592-F604 HydrophobicContact CD1-CG 4.47Å; Y592-F604 AromaticContact CE1-CD2 3.8Å; Y592-F604 HydrophobicContact CE1-CD2 3.8Å; Y592-F604 AromaticContact CE1-CE2 3.69Å; Y592-F604 HydrophobicContact CE1-CE2 3.69Å; Y592-F604 HydrophobicContact CG-CD2 4.24Å; V593-F604 CarbonylContact O-C 3.47Å; V593-F604 WeakPolarHBondContact O-CA 3.28Å; L594-F604 HydrophobicContact CG-CB 4.07Å; F604-K631 HydrophobicContact CD1-CB 4.02Å; F604-K631 HydrophobicContact CD1-CG 4.49Å; F604-K631 WeakPolarHBondContact CD1-O 3.33Å; F604-K631 HydrophobicContact CE1-CB 3.68Å; F604-K631 HydrophobicContact CE1-CD 3.8Å; F604-K631 HydrophobicContact CE1-CG 3.82Å; F604-K631 HydrophobicContact CZ-CD 4.34Å; F604-K631 PolarHBondContact N-O 3.32Å; F604-K631 PolarHBondContact O-N 3.41Å; F604-I633 HydrophobicContact CB-CD1 4.09Å; F604-I633 HydrophobicContact CD1-CB 4.42Å; F604-I633 HydrophobicContact CD1-CD1 4.42Å; F604-I633 HydrophobicContact CD1-CG2 3.13Å; F604-I633 HydrophobicContact CE1-CG2 3.17Å; F604-I633 HydrophobicContact CG-CD1 4.37Å; F604-I633 HydrophobicContact CG-CG2 3.98Å; F604-I633 HydrophobicContact CZ-CG2 4.07Å
605	S	96.1	Very high	84.7	Confident	5 Å²	5	66.1 Å²	66.1	4%	0.035	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.9	176.9	-50.4	0	0	0	0	109.5	Y592 V593 P630	Y592-S605 WeakPolarHBondContact CA-O 3.49Å; V593-S605 PolarHBondContact N-O 3.13Å; V593-S605 PolarHBondContact O-N 3Å; S605-P630 VanDerWaalsContact OG-CA 3.29Å; S605-P630 WeakPolarHBondContact OG-CA 3.38Å; S605-P630 WeakPolarHBondContact OG-CB 3.18Å
606	R	94.8	Very high	82.2	Confident	143 Å²	143	66.6 Å²	66.6	54%	0.54	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	132.7	173.8	-171.3	176.7	-176.4	165.8	1.5	109.7	Y592 T627 L628	Y592-R606 HydrophobicContact CD1-CB 4.08Å; Y592-R606 HydrophobicContact CD1-CG 4.48Å; Y592-R606 HydrophobicContact CE1-CB 3.81Å; Y592-R606 HydrophobicContact CE1-CG 4.03Å; R606-T627 CarbonylContact O-C 3.51Å; R606-T627 VanDerWaalsContact O-CA 3.25Å; R606-T627 WeakPolarHBondContact O-CA 3.44Å; R606-T627 WeakPolarHBondContact O-CB 3.39Å; R606-L628 HydrophobicContact CB-CD1 4.13Å; R606-L628 HydrophobicContact CB-CG 4.45Å; R606-L628 PolarHBondContact O-N 3.05Å
607	I	93.1	Very high	79.8	Confident	19 Å²	19	73.2 Å²	73.2	10%	0.097	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	129.8	178.5	-60.6	169.5	0	0	0	109.1	A590 H591 V593 Y625 T627	A590-I607 HydrophobicContact CB-CD1 3.51Å; H591-I607 PolarHBondContact O-N 2.9Å; V593-I607 HydrophobicContact CG2-CD1 3.77Å; V593-I607 HydrophobicContact CG2-CG1 3.92Å; I607-Y625 HydrophobicContact CD1-CD1 3.71Å; I607-Y625 HydrophobicContact CD1-CE1 3.98Å; I607-Y625 HydrophobicContact CD1-CG 4.05Å; I607-Y625 HydrophobicContact CG1-CD1 4.23Å; I607-Y625 HydrophobicContact CG1-CG 4.36Å; I607-Y625 HydrophobicContact CG2-CD1 3.89Å; I607-T627 HydrophobicContact CG1-CG2 4.23Å
608	M	88.9	Confident	77.5	Confident	115 Å²	115	79.8 Å²	79.8	57%	0.567	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	-49	174.4	-65.7	-64.4	-71	0	0	110.7	Q626 L628	M608-Q626 PolarHBondContact N-O 2.88Å; M608-L628 HydrophobicContact CE-CD2 4.36Å; M608-L628 HydrophobicContact CG-CD2 3.71Å; M608-L628 HydrophobicContact CG-CG 3.86Å; M608-L628 HydrophobicContact SD-CD1 4.08Å; M608-L628 HydrophobicContact SD-CD2 3.63Å; M608-L628 HydrophobicContact SD-CG 3.75Å
609	Q	80.4	Confident	74.9	Confident	133 Å²	133	83.1 Å²	83.1	62%	0.621	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.4	-179.5	-63.9	-176.6	10.3	0	0	110.1	Q626	Q609-Q626 HydrophobicContact CB-CB 4.43Å; Q609-Q626 PolarHBondContact N-O 2.86Å; Q609-Q626 PolarHBondContact O-N 2.81Å
610	S	78.9	Confident	72.7	Confident	85 Å²	85	89.8 Å²	89.8	59%	0.594	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.5	174.5	60.7	0	0	0	0	109.5
611	S	73.4	Confident	70.6	Confident	69 Å²	69	89.4 Å²	89.4	48%	0.483	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.1	171.2	58.2	0	0	0	0	109.9	V624	S611-V624 PolarHBondContact N-O 3.4Å; S611-V624 PolarHBondContact O-N 2.8Å
612	K	60.4	Low	68.7	Low	131 Å²	131	93.6 Å²	93.6	57%	0.57	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	121.7	168.6	-70.4	-167.2	174.9	-162.4	0	107.3
613	G	53.5	Low	67.5	Low	31 Å²	31	94.2 Å²	94.2	32%	0.32	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-63.2	135.8	172.7	0	0	0	0	0	110.2	R622	G613-R622 PolarHBondContact N-O 2.87Å
614	E	43.7	Very low	66.5	Low	194 Å²	194	93.5 Å²	93.5	91%	0.907	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-63.9	147.1	169.5	-73.4	-174.6	151.6	0	0	110.1	G616	E614-G616 PolarHBondContact O-N 2.69Å
615	N	43.3	Very low	65.9	Low	142 Å²	142	93 Å²	93	76%	0.759	50%	0.496	S	S	*	.			trans	-40.1	103.4	-168.4	-64.9	-32.2	0	0	0	114.1
616	G	43.9	Very low	65.3	Low	49 Å²	49	97 Å²	97	51%	0.505	51%	0.514	S	S	.	.			trans	-62.7	146.6	157.7	0	0	0	0	0	109.5	E614 E618 G619	E614-G616 PolarHBondContact O-N 2.69Å; G616-E618 PolarHBondContact O-N 3.12Å; G616-G619 PolarHBondContact O-N 3.15Å; G616-G619 VanDerWaalsContact O-N 3.17Å
617	T	46.7	Very low	65.2	Low	155 Å²	155	91 Å²	91	95%	0.951	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-3.8	-176.2	41.7	0	0	0	0	115.7
618	E	47.9	Very low	65	Low	155 Å²	155	94 Å²	94	72%	0.724	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	7.6	-179.8	-64.3	-168.2	149.3	0	0	115.4	G616 K620	G616-E618 PolarHBondContact O-N 3.12Å; E618-K620 PolarHBondContact O-N 2.87Å
619	G	43.7	Very low	65.2	Low	71 Å²	71	97.8 Å²	97.8	73%	0.732	52%	0.522	S	S	*	.	S	Bend	trans	67.2	4.1	171.5	0	0	0	0	0	116.4	G616	G616-G619 PolarHBondContact O-N 3.15Å; G616-G619 VanDerWaalsContact O-N 3.17Å
620	K	49.3	Very low	65.8	Low	171 Å²	171	94.3 Å²	94.3	74%	0.743	51%	0.511	S	S	*	.			trans	-94.6	111.6	169.8	-73.7	179	-179.5	170.5	0	109.6	E618 R622	E618-K620 PolarHBondContact O-N 2.87Å; K620-R622 PolarHBondContact O-N 2.87Å; K620-R622 VanDerWaalsContact O-N 3.13Å
621	Q	52.6	Low	66.6	Low	92 Å²	92	95.7 Å²	95.7	43%	0.43	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-57.7	116.4	171.7	-71	-169.4	-16.1	0	0	109.5
622	R	59.7	Low	67.8	Low	144 Å²	144	96.3 Å²	96.3	54%	0.543	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-97.3	121.5	171	-80	-178.7	176.5	158.8	1.6	108.9	T305 G613 K620	T305-R622 HydrophobicContact CG2-CB 4.46Å; G613-R622 PolarHBondContact N-O 2.87Å; K620-R622 PolarHBondContact O-N 2.87Å; K620-R622 VanDerWaalsContact O-N 3.13Å
623	T	72.2	Confident	69.6	Low	14 Å²	14	90.5 Å²	90.5	9%	0.086	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	127.6	169.9	-51.4	0	0	0	0	108.3	Y625	T623-Y625 HydrophobicContact CG2-CD1 4.32Å; T623-Y625 HydrophobicContact CG2-CE1 3.74Å; T623-Y625 HydrophobicContact CG2-CE2 4.13Å
624	V	77.3	Confident	71.7	Confident	32 Å²	32	89.5 Å²	89.5	19%	0.194	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.3	175.4	-176.8	0	0	0	0	107.5	F303 T305 S611	F303-V624 HydrophobicContact CD1-CG1 4.43Å; T305-V624 HydrophobicContact CG2-CG2 4.29Å; S611-V624 PolarHBondContact N-O 3.4Å; S611-V624 PolarHBondContact O-N 2.8Å
625	Y	83.8	Confident	74.3	Confident	2 Å²	2	85.5 Å²	85.5	1%	0.008	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.7	176.6	-63.6	-68.2	0	0	0	109.1	V306 H313 V582 A590 V593 I607 T623	V306-Y625 HydrophobicContact CB-CD2 4.4Å; V306-Y625 HydrophobicContact CB-CE2 4.4Å; V306-Y625 HydrophobicContact CG2-CD2 4.45Å; H313-Y625 PolarHBondContact CE1-OH 2.92Å; H313-Y625 PolarHBondContact NE2-OH 3.07Å; V582-Y625 HydrophobicContact CG2-CE2 4.23Å; A590-Y625 HydrophobicContact CB-CE1 3.75Å; V593-Y625 HydrophobicContact CG2-CD2 3.6Å; V593-Y625 HydrophobicContact CG2-CE2 4.24Å; V593-Y625 HydrophobicContact CG2-CG 3.93Å; I607-Y625 HydrophobicContact CD1-CD1 3.71Å; I607-Y625 HydrophobicContact CD1-CE1 3.98Å; I607-Y625 HydrophobicContact CD1-CG 4.05Å; I607-Y625 HydrophobicContact CG1-CD1 4.23Å; I607-Y625 HydrophobicContact CG1-CG 4.36Å; I607-Y625 HydrophobicContact CG2-CD1 3.89Å; T623-Y625 HydrophobicContact CG2-CD1 4.32Å; T623-Y625 HydrophobicContact CG2-CE1 3.74Å; T623-Y625 HydrophobicContact CG2-CE2 4.13Å
626	Q	84.8	Confident	76.9	Confident	89 Å²	89	80.7 Å²	80.7	42%	0.416	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.3	165.6	-169.4	178.2	13.8	0	0	107.7	M608 Q609	M608-Q626 PolarHBondContact N-O 2.88Å; Q609-Q626 HydrophobicContact CB-CB 4.43Å; Q609-Q626 PolarHBondContact N-O 2.86Å; Q609-Q626 PolarHBondContact O-N 2.81Å
627	T	90.7	Very high	79.5	Confident	17 Å²	17	82 Å²	82	10%	0.104	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	158.5	-172.6	66.8	0	0	0	0	112.1	V593 R606 I607	V593-T627 HydrophobicContact CG2-CG2 4.43Å; R606-T627 CarbonylContact O-C 3.51Å; R606-T627 VanDerWaalsContact O-CA 3.25Å; R606-T627 WeakPolarHBondContact O-CA 3.44Å; R606-T627 WeakPolarHBondContact O-CB 3.39Å; I607-T627 HydrophobicContact CG1-CG2 4.23Å
628	L	90.8	Very high	81.8	Confident	84 Å²	84	79.9 Å²	79.9	44%	0.44	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-67.7	173.4	162.9	-63.8	-177.4	0	0	0	111	R606 M608	R606-L628 HydrophobicContact CB-CD1 4.13Å; R606-L628 HydrophobicContact CB-CG 4.45Å; R606-L628 PolarHBondContact O-N 3.05Å; M608-L628 HydrophobicContact CE-CD2 4.36Å; M608-L628 HydrophobicContact CG-CD2 3.71Å; M608-L628 HydrophobicContact CG-CG 3.86Å; M608-L628 HydrophobicContact SD-CD1 4.08Å; M608-L628 HydrophobicContact SD-CD2 3.63Å; M608-L628 HydrophobicContact SD-CG 3.75Å
629	K	91.4	Very high	84.1	Confident	193 Å²	193	75.3 Å²	75.3	84%	0.839	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-53.6	132.4	175.3	-171.4	178.5	179.6	178.3	0	110.1
630	P	94.3	Very high	86.6	Confident	60 Å²	60	73.2 Å²	73.2	39%	0.39	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-62.5	142.7	176.7	24.4	-32.8	0	0	0	111.1	E603 S605	E603-P630 HydrophobicContact CB-CB 4.28Å; S605-P630 VanDerWaalsContact OG-CA 3.29Å; S605-P630 WeakPolarHBondContact OG-CA 3.38Å; S605-P630 WeakPolarHBondContact OG-CB 3.18Å
631	K	96.2	Very high	88.8	Confident	114 Å²	114	72.6 Å²	72.6	50%	0.496	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.9	171.3	175.8	174.1	172.5	-176.4	0	109.1	E603 F604 I633	E603-K631 CarbonylContact C-O 3.53Å; E603-K631 VanDerWaalsContact CA-O 3.26Å; E603-K631 WeakPolarHBondContact CA-O 3.39Å; F604-K631 HydrophobicContact CD1-CB 4.02Å; F604-K631 HydrophobicContact CD1-CG 4.49Å; F604-K631 WeakPolarHBondContact CD1-O 3.33Å; F604-K631 HydrophobicContact CE1-CB 3.68Å; F604-K631 HydrophobicContact CE1-CD 3.8Å; F604-K631 HydrophobicContact CE1-CG 3.82Å; F604-K631 HydrophobicContact CZ-CD 4.34Å; F604-K631 PolarHBondContact N-O 3.32Å; F604-K631 PolarHBondContact O-N 3.41Å; K631-I633 PolarHBondContact O-N 3.23Å
632	E	97.9	Very high	90.8	Very high	82 Å²	82	69 Å²	69	38%	0.383	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	129.6	173	-172.3	170.7	115.7	0	0	110.2	E603 R635	E603-E632 HydrophobicContact CG-CB 4.23Å; E632-R635 WeakPolarHBondContact OE1-CB 3.41Å; E632-R635 IonicContact OE1-CZ 3.64Å; E632-R635 IonicContact OE1-NE 3.52Å; E632-R635 PolarHBondContact OE1-NE 3.38Å; E632-R635 IonicContact OE1-NH2 3.53Å; E632-R635 IonicContact OE2-CZ 3.96Å; E632-R635 IonicContact OE2-NE 3.53Å; E632-R635 PolarHBondContact OE2-NE 3.29Å; E632-R635 IonicContact OE2-NH2 2.75Å; E632-R635 PolarHBondContact OE2-NH2 2.88Å
633	I	97.8	Very high	92.5	Very high	10 Å²	10	62.2 Å²	62.2	5%	0.051	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-25.1	179.9	51.9	179.7	0	0	0	112.5	L411 Y427 A430 L594 M602 F604 K631	L411-I633 VanDerWaalsContact CD2-O 3.22Å; L411-I633 WeakPolarHBondContact CD2-O 2.99Å; Y427-I633 HydrophobicContact CE1-CG2 4.42Å; A430-I633 HydrophobicContact CB-CD1 3.68Å; A430-I633 HydrophobicContact CB-CG1 4.01Å; L594-I633 HydrophobicContact CD2-CD1 4.04Å; M602-I633 HydrophobicContact CB-CD1 4.49Å; M602-I633 HydrophobicContact CB-CG1 4.12Å; M602-I633 VanDerWaalsContact O-CG1 3.23Å; M602-I633 WeakPolarHBondContact O-CG1 3.38Å; M602-I633 PolarHBondContact O-N 3.38Å; F604-I633 HydrophobicContact CB-CD1 4.09Å; F604-I633 HydrophobicContact CD1-CB 4.42Å; F604-I633 HydrophobicContact CD1-CD1 4.42Å; F604-I633 HydrophobicContact CD1-CG2 3.13Å; F604-I633 HydrophobicContact CE1-CG2 3.17Å; F604-I633 HydrophobicContact CG-CD1 4.37Å; F604-I633 HydrophobicContact CG-CG2 3.98Å; F604-I633 HydrophobicContact CZ-CG2 4.07Å; K631-I633 PolarHBondContact O-N 3.23Å
634	W	98.6	Very high	93.5	Very high	9 Å²	9	65.8 Å²	65.8	3%	0.034	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	145.6	177.1	167.4	75.2	0	0	0	110.8	Y408 L411 A430 S434 T597 W598 K601 M602 K636	Y408-W634 AromaticContact CD1-CD1 3.51Å; Y408-W634 AromaticContact CD1-NE1 3.13Å; Y408-W634 AromaticContact CD2-NE1 3.67Å; Y408-W634 AromaticContact CE1-CD1 3.93Å; Y408-W634 AromaticContact CE1-NE1 3.18Å; Y408-W634 HydrophobicContact CE2-CZ2 4.4Å; Y408-W634 AromaticContact CE2-NE1 3.76Å; Y408-W634 AromaticContact CG-CD1 3.83Å; Y408-W634 AromaticContact CG-NE1 3.4Å; Y408-W634 AromaticContact CZ-NE1 3.55Å; L411-W634 HydrophobicContact CD1-CB 4.17Å; L411-W634 HydrophobicContact CD1-CG 4.16Å; L411-W634 HydrophobicContact CD2-CB 4.22Å; A430-W634 HydrophobicContact CB-CB 4.3Å; S434-W634 VanDerWaalsContact CB-CE2 3.48Å; S434-W634 VanDerWaalsContact CB-NE1 3.34Å; T597-W634 WeakPolarHBondContact O-CZ3 3.5Å; W598-W634 WeakPolarHBondContact O-CH2 3.37Å; K601-W634 CarbonylContact C-O 3.58Å; K601-W634 VanDerWaalsContact CA-O 3.27Å; K601-W634 WeakPolarHBondContact CA-O 3.23Å; K601-W634 WeakPolarHBondContact CB-O 3.43Å; M602-W634 HydrophobicContact CB-CB 4.39Å; M602-W634 HydrophobicContact CB-CE3 3.9Å; M602-W634 HydrophobicContact CG-CE3 3.65Å; M602-W634 HydrophobicContact CG-CZ3 4.07Å; M602-W634 PolarHBondContact N-O 3.38Å; M602-W634 PolarHBondContact O-N 2.89Å; W634-K636 HydrophobicContact CH2-CB 4.17Å; W634-K636 HydrophobicContact CZ2-CB 3.87Å
635	R	98.4	Very high	94.3	Very high	110 Å²	110	67.5 Å²	67.5	42%	0.415	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.4	171.5	177.3	173	-67.1	-87.4	5.7	108.5	E600 K601 E632	E600-R635 CarbonylContact O-C 3.51Å; E600-R635 WeakPolarHBondContact O-CA 3.46Å; E600-R635 IonicContact OE1-NH1 3.51Å; K601-R635 HydrophobicContact CB-CB 4.45Å; E632-R635 WeakPolarHBondContact OE1-CB 3.41Å; E632-R635 IonicContact OE1-CZ 3.64Å; E632-R635 IonicContact OE1-NE 3.52Å; E632-R635 PolarHBondContact OE1-NE 3.38Å; E632-R635 IonicContact OE1-NH2 3.53Å; E632-R635 IonicContact OE2-CZ 3.96Å; E632-R635 IonicContact OE2-NE 3.53Å; E632-R635 PolarHBondContact OE2-NE 3.29Å; E632-R635 IonicContact OE2-NH2 2.75Å; E632-R635 PolarHBondContact OE2-NH2 2.88Å
636	K	98	Very high	94.8	Very high	41 Å²	41	67.5 Å²	67.5	18%	0.178	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-64.7	135.3	177.7	-177.3	-179.3	172.8	168.1	0	110.5	S437 D599 E600 W634	S437-K636 WeakPolarHBondContact O-CE 3.47Å; S437-K636 PolarHBondContact O-NZ 2.71Å; D599-K636 WeakPolarHBondContact O-CD 3.4Å; E600-K636 WeakPolarHBondContact O-CB 3.35Å; E600-K636 PolarHBondContact O-N 3.49Å; W634-K636 HydrophobicContact CH2-CB 4.17Å; W634-K636 HydrophobicContact CZ2-CB 3.87Å
637	N	96.9	Very high	95.2	Very high	76 Å²	76	64.6 Å²	64.6	41%	0.406	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-65.8	138.6	172.4	-67.1	-29	0	0	0	110.5	Y408	Y408-N637 HydrophobicContact CE1-CB 4.37Å; Y408-N637 WeakPolarHBondContact CE1-ND2 3.49Å; Y408-N637 PolarHBondContact OH-N 3.01Å
638	P	96.3	Very high	95.5	Very high	112 Å²	112	67.5 Å²	67.5	73%	0.727	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-61.8	143.5	173.7	27.5	-33.8	0	0	0	110.1
639	L	96.6	Very high	95.8	Very high	58 Å²	58	63.6 Å²	63.6	30%	0.304	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-70.8	147.3	172.8	-69.9	177.5	0	0	0	110.2	A643 Y648	L639-A643 HydrophobicContact CB-CB 3.93Å; L639-A643 HydrophobicContact CD1-CB 4.35Å; L639-Y648 HydrophobicContact CD1-CD1 4.11Å
640	P	95.9	Very high	96.1	Very high	28 Å²	28	54.8 Å²	54.8	18%	0.182	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-56.8	153.1	171.9	-24.4	34.5	0	0	0	112.6	G642 A643 F649 L654	P640-G642 PolarHBondContact O-N 3.27Å; P640-A643 VanDerWaalsContact O-CB 3.23Å; P640-A643 WeakPolarHBondContact O-CB 3.48Å; P640-A643 PolarHBondContact O-N 3.04Å; P640-A643 VanDerWaalsContact O-N 3.14Å; P640-F649 WeakPolarHBondContact CD-O 3.47Å; P640-L654 HydrophobicContact CB-CD1 4.23Å; P640-L654 HydrophobicContact CG-CD1 3.7Å
641	E	95.2	Very high	96.2	Very high	157 Å²	157	55.4 Å²	55.4	73%	0.734	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	128.4	175.8	-174	-174.6	-163.9	0	0	111.3	R360	R360-E641 PolarHBondContact NH1-O 3.29Å; R360-E641 IonicContact NH2-OE2 3.73Å
642	G	94.8	Very high	96.3	Very high	17 Å²	17	51.2 Å²	51.2	18%	0.175	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	16.8	-176.7	0	0	0	0	0	114.1	P640 E644 N645	P640-G642 PolarHBondContact O-N 3.27Å; G642-E644 VanDerWaalsContact C-OE2 3.28Å; G642-E644 WeakPolarHBondContact CA-OE2 3.37Å; G642-E644 PolarHBondContact O-N 2.97Å; G642-E644 VanDerWaalsContact O-N 3.1Å; G642-N645 WeakPolarHBondContact O-CB 3.45Å; G642-N645 PolarHBondContact O-N 3.46Å
643	A	95.3	Very high	96.3	Very high	2 Å²	2	47.3 Å²	47.3	2%	0.017	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-54.3	-29	179.8	0	0	0	0	0	113.4	L639 P640 N645 M646 Y647 Y648	L639-A643 HydrophobicContact CB-CB 3.93Å; L639-A643 HydrophobicContact CD1-CB 4.35Å; P640-A643 VanDerWaalsContact O-CB 3.23Å; P640-A643 WeakPolarHBondContact O-CB 3.48Å; P640-A643 PolarHBondContact O-N 3.04Å; P640-A643 VanDerWaalsContact O-N 3.14Å; A643-N645 PolarHBondContact O-N 3.23Å; A643-M646 CarbonylContact O-C 3.58Å; A643-M646 WeakPolarHBondContact O-CA 3.23Å; A643-M646 PolarHBondContact O-N 3.23Å; A643-Y647 PolarHBondContact O-N 2.94Å; A643-Y648 HydrophobicContact CB-CD1 4.49Å; A643-Y648 VanDerWaalsContact O-CA 3.24Å; A643-Y648 WeakPolarHBondContact O-CA 3.37Å; A643-Y648 PolarHBondContact O-N 2.92Å
644	E	92.6	Very high	96.3	Very high	89 Å²	89	47 Å²	47	42%	0.416	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-58.2	-28.9	174.3	65.9	-80.7	-170.2	0	0	114	G642 Y648	G642-E644 VanDerWaalsContact C-OE2 3.28Å; G642-E644 WeakPolarHBondContact CA-OE2 3.37Å; G642-E644 PolarHBondContact O-N 2.97Å; G642-E644 VanDerWaalsContact O-N 3.1Å; E644-Y648 HydrophobicContact CB-CD1 4.42Å; E644-Y648 HydrophobicContact CB-CE1 3.6Å; E644-Y648 HydrophobicContact CB-CE2 4.26Å; E644-Y648 WeakPolarHBondContact CB-OH 3.26Å
645	N	93.5	Very high	96.3	Very high	67 Å²	67	47 Å²	47	36%	0.358	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-86	-18.8	174.8	-60	-28	0	0	0	111.5	D363 K364 G642 A643	D363-N645 HydrophobicContact CB-CB 4.25Å; D363-N645 WeakPolarHBondContact OD1-CB 3.45Å; K364-N645 WeakPolarHBondContact CB-O 3.25Å; K364-N645 PolarHBondContact N-O 3.15Å; G642-N645 WeakPolarHBondContact O-CB 3.45Å; G642-N645 PolarHBondContact O-N 3.46Å; A643-N645 PolarHBondContact O-N 3.23Å
646	M	95.1	Very high	96.3	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	44.5	-178.9	-60.3	-179.9	-69.9	0	0	111.6	R360 I361 A643 Y648 F649 L654	R360-M646 HydrophobicContact CB-SD 3.84Å; R360-M646 HydrophobicContact CG-CE 4.34Å; R360-M646 HydrophobicContact CG-SD 4.03Å; I361-M646 HydrophobicContact CD1-CB 4.18Å; I361-M646 HydrophobicContact CG1-CB 3.81Å; I361-M646 HydrophobicContact CG1-CG 3.77Å; I361-M646 HydrophobicContact CG1-SD 4.15Å; I361-M646 PolarHBondContact N-SD 3.43Å; A643-M646 CarbonylContact O-C 3.58Å; A643-M646 WeakPolarHBondContact O-CA 3.23Å; A643-M646 PolarHBondContact O-N 3.23Å; M646-Y648 PolarHBondContact O-N 2.94Å; M646-F649 WeakPolarHBondContact O-CB 3.32Å; M646-F649 WeakPolarHBondContact O-CG 3.09Å; M646-F649 PolarHBondContact O-N 3.05Å; M646-L654 HydrophobicContact CB-CD2 4.31Å; M646-L654 HydrophobicContact SD-CD2 4.08Å
647	Y	93.9	Very high	96.3	Very high	27 Å²	27	39.9 Å²	39.9	11%	0.106	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	22	175	-57.7	-93.3	0	0	0	115.1	I361 K364 E394 P395 R442 A643 F649 M677	I361-Y647 HydrophobicContact CD1-CD2 4.11Å; K364-Y647 HydrophobicContact CB-CD2 4.17Å; K364-Y647 HydrophobicContact CB-CE1 4.03Å; K364-Y647 HydrophobicContact CB-CE2 3.54Å; K364-Y647 VanDerWaalsContact CB-CZ 3.47Å; K364-Y647 HydrophobicContact CD-CD1 4.29Å; K364-Y647 HydrophobicContact CD-CE1 4.26Å; E394-Y647 HydrophobicContact CB-CD1 4.09Å; P395-Y647 HydrophobicContact CG-CD2 3.95Å; P395-Y647 HydrophobicContact CG-CE2 3.79Å; R442-Y647 WeakPolarHBondContact CG-O 3.43Å; A643-Y647 PolarHBondContact O-N 2.94Å; Y647-F649 VanDerWaalsContact CB-CE1 3.44Å; Y647-F649 HydrophobicContact CG-CE1 4.32Å; Y647-F649 HydrophobicContact CG-CZ 4.42Å; Y647-F649 PolarHBondContact O-N 3.44Å; Y647-M677 HydrophobicContact CE1-CE 3.96Å
648	Y	95.8	Very high	96.3	Very high	79 Å²	79	37.3 Å²	37.3	31%	0.31	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	35.2	-171.8	-63.4	-81.5	0	0	0	113.7	H441 L639 A643 E644 M646	H441-Y648 HydrophobicContact CB-CD1 3.77Å; H441-Y648 HydrophobicContact CB-CD2 3.61Å; H441-Y648 HydrophobicContact CB-CE1 4.27Å; H441-Y648 HydrophobicContact CB-CE2 4.13Å; H441-Y648 HydrophobicContact CB-CG 3.4Å; L639-Y648 HydrophobicContact CD1-CD1 4.11Å; A643-Y648 HydrophobicContact CB-CD1 4.49Å; A643-Y648 VanDerWaalsContact O-CA 3.24Å; A643-Y648 WeakPolarHBondContact O-CA 3.37Å; A643-Y648 PolarHBondContact O-N 2.92Å; E644-Y648 HydrophobicContact CB-CD1 4.42Å; E644-Y648 HydrophobicContact CB-CE1 3.6Å; E644-Y648 HydrophobicContact CB-CE2 4.26Å; E644-Y648 WeakPolarHBondContact CB-OH 3.26Å; M646-Y648 PolarHBondContact O-N 2.94Å
649	F	97.9	Very high	96.3	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	19%	0.192	C	C	.	.			trans	-66.2	137.6	176.5	-74.2	2.3	0	0	0	111.3	I361 E394 P395 L396 P640 M646 Y647 A653 L654	I361-F649 HydrophobicContact CD1-CD2 3.85Å; I361-F649 HydrophobicContact CD1-CE2 3.88Å; E394-F649 HydrophobicContact CB-CE1 4.19Å; E394-F649 HydrophobicContact CB-CZ 4.25Å; P395-F649 HydrophobicContact CG-CE2 3.94Å; P395-F649 HydrophobicContact CG-CZ 3.86Å; L396-F649 HydrophobicContact CD1-CD2 4.45Å; L396-F649 HydrophobicContact CD1-CE1 3.97Å; L396-F649 HydrophobicContact CD1-CE2 3.87Å; L396-F649 HydrophobicContact CD1-CZ 3.59Å; L396-F649 HydrophobicContact CG-CE1 4.42Å; L396-F649 HydrophobicContact CG-CE2 3.89Å; L396-F649 HydrophobicContact CG-CZ 3.63Å; P640-F649 WeakPolarHBondContact CD-O 3.47Å; M646-F649 WeakPolarHBondContact O-CB 3.32Å; M646-F649 WeakPolarHBondContact O-CG 3.09Å; M646-F649 PolarHBondContact O-N 3.05Å; Y647-F649 VanDerWaalsContact CB-CE1 3.44Å; Y647-F649 HydrophobicContact CG-CE1 4.32Å; Y647-F649 HydrophobicContact CG-CZ 4.42Å; Y647-F649 PolarHBondContact O-N 3.44Å; F649-A653 HydrophobicContact CB-CB 3.82Å; F649-A653 HydrophobicContact CD1-CB 4.39Å; F649-A653 HydrophobicContact CD2-CB 4.42Å; F649-A653 HydrophobicContact CG-CB 3.97Å; F649-L654 HydrophobicContact CB-CD2 3.98Å; F649-L654 HydrophobicContact CB-CG 3.87Å; F649-L654 HydrophobicContact CD2-CD2 4.2Å
650	S	97.7	Very high	96.2	Very high	8 Å²	8	34.3 Å²	34.3	6%	0.056	18%	0.183	C	C	.	.			trans	-69.9	169.6	166	67.5	0	0	0	0	110.6	E407 L652 A653 L654	E407-S650 WeakPolarHBondContact OE2-CB 3.37Å; E407-S650 PolarHBondContact OE2-OG 2.91Å; S650-L652 PolarHBondContact O-N 3.12Å; S650-A653 PolarHBondContact O-N 3.38Å; S650-A653 PolarHBondContact OG-N 3.44Å; S650-L654 WeakPolarHBondContact O-CG 3.46Å; S650-L654 PolarHBondContact O-N 2.85Å
651	S	96.7	Very high	96	Very high	74 Å²	74	42 Å²	42	52%	0.517	22%	0.217	S	C	.	.	H	α-helix	trans	-55.4	-40.8	173.9	-57.1	0	0	0	0	111.8	T655	S651-T655 WeakPolarHBondContact O-CG2 3.41Å
652	L	97.5	Very high	96	Very high	26 Å²	26	36.8 Å²	36.8	14%	0.136	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-51.4	175.3	177.1	61.5	0	0	0	110.9	E407 L457 S650 L654 T655 L656	E407-L652 HydrophobicContact CB-CD2 3.95Å; E407-L652 HydrophobicContact CG-CB 4.42Å; L457-L652 HydrophobicContact CD2-CD1 4.41Å; S650-L652 PolarHBondContact O-N 3.12Å; L652-L654 PolarHBondContact O-N 3.35Å; L652-T655 WeakPolarHBondContact O-CA 3.46Å; L652-T655 PolarHBondContact O-N 3.02Å; L652-T655 PolarHBondContact O-OG1 2.97Å; L652-L656 HydrophobicContact CD1-CD2 4Å; L652-L656 HydrophobicContact CG-CD2 4.15Å; L652-L656 WeakPolarHBondContact O-CG 3.29Å; L652-L656 PolarHBondContact O-N 3.1Å
653	A	98.3	Very high	96.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57	-37	-177.4	0	0	0	0	0	112.6	L396 F649 S650 T655 L656	L396-A653 HydrophobicContact CD1-CB 4.23Å; F649-A653 HydrophobicContact CB-CB 3.82Å; F649-A653 HydrophobicContact CD1-CB 4.39Å; F649-A653 HydrophobicContact CD2-CB 4.42Å; F649-A653 HydrophobicContact CG-CB 3.97Å; S650-A653 PolarHBondContact O-N 3.38Å; S650-A653 PolarHBondContact OG-N 3.44Å; A653-T655 PolarHBondContact O-N 3.27Å; A653-L656 PolarHBondContact O-N 3.29Å
654	L	98.1	Very high	96.2	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-57.9	-36	172.9	-75	168.7	0	0	0	111.9	R358 T359 I361 P640 M646 F649 S650 L652	R358-L654 PolarHBondContact NE-O 2.84Å; R358-L654 PolarHBondContact NH2-O 2.88Å; T359-L654 VanDerWaalsContact O-CD1 3.32Å; T359-L654 WeakPolarHBondContact O-CD1 3.37Å; I361-L654 HydrophobicContact CB-CD2 4.42Å; I361-L654 HydrophobicContact CD1-CD2 4.26Å; I361-L654 HydrophobicContact CG1-CD2 3.88Å; I361-L654 HydrophobicContact CG2-CD2 3.94Å; P640-L654 HydrophobicContact CB-CD1 4.23Å; P640-L654 HydrophobicContact CG-CD1 3.7Å; M646-L654 HydrophobicContact CB-CD2 4.31Å; M646-L654 HydrophobicContact SD-CD2 4.08Å; F649-L654 HydrophobicContact CB-CD2 3.98Å; F649-L654 HydrophobicContact CB-CG 3.87Å; F649-L654 HydrophobicContact CD2-CD2 4.2Å; S650-L654 WeakPolarHBondContact O-CG 3.46Å; S650-L654 PolarHBondContact O-N 2.85Å; L652-L654 PolarHBondContact O-N 3.35Å
655	T	97.8	Very high	96.5	Very high	11 Å²	11	34 Å²	34	7%	0.067	19%	0.192	C	C	.	.	H	α-helix	trans	-81.7	-17.2	-178.4	71.4	0	0	0	0	114.5	R357 R459 S651 L652 A653 N657 E658	R357-T655 HydrophobicContact CB-CG2 3.66Å; R357-T655 HydrophobicContact CG-CG2 4.25Å; R459-T655 PolarHBondContact NH2-OG1 2.91Å; S651-T655 WeakPolarHBondContact O-CG2 3.41Å; L652-T655 WeakPolarHBondContact O-CA 3.46Å; L652-T655 PolarHBondContact O-N 3.02Å; L652-T655 PolarHBondContact O-OG1 2.97Å; A653-T655 PolarHBondContact O-N 3.27Å; T655-N657 VanDerWaalsContact C-N 3.31Å; T655-N657 PolarHBondContact O-N 3.22Å; T655-E658 VanDerWaalsContact O-CB 3.29Å; T655-E658 WeakPolarHBondContact O-CB 3.28Å; T655-E658 PolarHBondContact O-N 3.11Å; T655-E658 VanDerWaalsContact O-N 3.13Å
656	L	98.4	Very high	96.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.1	-30.8	-168.3	-65	-179.1	0	0	0	113.9	L396 Q400 E404 F455 L457 L652 A653	L396-L656 HydrophobicContact CD1-CD1 4.34Å; L396-L656 HydrophobicContact CD2-CB 3.89Å; Q400-L656 HydrophobicContact CB-CB 4.31Å; Q400-L656 HydrophobicContact CB-CD1 4.16Å; Q400-L656 HydrophobicContact CG-CB 4.25Å; Q400-L656 PolarHBondContact NE2-O 3.08Å; Q400-L656 WeakPolarHBondContact O-CD1 3.35Å; E404-L656 HydrophobicContact CG-CD1 3.55Å; F455-L656 HydrophobicContact CE1-CD2 4.23Å; F455-L656 WeakPolarHBondContact CE2-O 3.43Å; F455-L656 HydrophobicContact CZ-CB 4.15Å; F455-L656 HydrophobicContact CZ-CD2 3.95Å; L457-L656 HydrophobicContact CD1-CD2 3.98Å; L457-L656 HydrophobicContact CD2-CD2 4.17Å; L652-L656 HydrophobicContact CD1-CD2 4Å; L652-L656 HydrophobicContact CG-CD2 4.15Å; L652-L656 WeakPolarHBondContact O-CG 3.29Å; L652-L656 PolarHBondContact O-N 3.1Å; A653-L656 PolarHBondContact O-N 3.29Å
657	N	98.3	Very high	96.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	14.9	176.7	-148.9	42.2	0	0	0	113.6	R358 L396 Q400 T655 R669 Q674 R675 E678	R358-N657 VanDerWaalsContact NH2-C 3.33Å; L396-N657 HydrophobicContact CD2-CB 3.92Å; Q400-N657 PolarHBondContact NE2-OD1 2.89Å; T655-N657 VanDerWaalsContact C-N 3.31Å; T655-N657 PolarHBondContact O-N 3.22Å; N657-R669 WeakPolarHBondContact OD1-CA 3.47Å; N657-Q674 PolarHBondContact ND2-NE2 3.39Å; N657-Q674 PolarHBondContact OD1-NE2 3.05Å; N657-R675 PolarHBondContact O-NH1 2.76Å; N657-R675 PolarHBondContact O-NH2 2.7Å; N657-E678 PolarHBondContact ND2-OE2 3.29Å
658	E	97.5	Very high	97.1	Very high	22 Å²	22	29.5 Å²	29.5	10%	0.103	17%	0.169	C	C	.	.	S	Bend	trans	-63.9	129.1	170.5	-171.3	-176.7	148.6	0	0	108.8	R355 R358 T655 E660 R669	R355-E658 IonicContact CZ-OE1 3.84Å; R355-E658 IonicContact NE-OE1 3.02Å; R355-E658 IonicContact NH2-OE1 2.64Å; R355-E658 PolarHBondContact NH2-OE1 2.89Å; R358-E658 HydrophobicContact CG-CB 4.18Å; R358-E658 HydrophobicContact CG-CG 4.13Å; R358-E658 PolarHBondContact N-OE2 3.1Å; T655-E658 VanDerWaalsContact O-CB 3.29Å; T655-E658 WeakPolarHBondContact O-CB 3.28Å; T655-E658 PolarHBondContact O-N 3.11Å; T655-E658 VanDerWaalsContact O-N 3.13Å; E658-E660 WeakPolarHBondContact O-CG 3.27Å; E658-E660 PolarHBondContact O-N 3.37Å; E658-R669 WeakPolarHBondContact O-CD 3.46Å; E658-R669 PolarHBondContact O-NE 3.5Å; E658-R669 VanDerWaalsContact O-NE 3.12Å
659	P	95.8	Very high	97.2	Very high	78 Å²	78	26.2 Å²	26.2	51%	0.506	16%	0.156	S	C	.	.			trans	-54.7	134.9	174.7	-25.7	34.2	0	0	0	112	R355	R355-P659 PolarHBondContact NH2-O 2.82Å
660	E	93.8	Very high	97.2	Very high	28 Å²	28	32.9 Å²	32.9	13%	0.131	18%	0.182	C	C	.	.			trans	-130.8	139.7	176	-55.7	-158.8	-138	0	0	109.3	R355 R357 R459 E658 V663 R669	R355-E660 IonicContact CZ-OE2 3.3Å; R355-E660 IonicContact NH1-OE2 3.98Å; R355-E660 PolarHBondContact NH1-OE2 3.13Å; R357-E660 IonicContact CZ-OE2 2.66Å; R357-E660 IonicContact NH1-OE1 3.66Å; R357-E660 PolarHBondContact NH1-OE1 2.91Å; R357-E660 VanDerWaalsContact NH1-OE1 3.09Å; R357-E660 IonicContact NH1-OE2 3.73Å; R357-E660 PolarHBondContact NH1-OE2 2.91Å; R357-E660 IonicContact NH2-OE2 3.23Å; R459-E660 IonicContact NH1-OE1 2.86Å; E658-E660 WeakPolarHBondContact O-CG 3.27Å; E658-E660 PolarHBondContact O-N 3.37Å; E660-V663 HydrophobicContact CB-CG1 3.84Å; E660-R669 IonicContact OE1-CZ 2.79Å; E660-R669 IonicContact OE1-NE 2.7Å; E660-R669 IonicContact OE1-NH2 3.1Å; E660-R669 PolarHBondContact OE1-NH2 2.92Å
661	E	92.8	Very high	97.2	Very high	189 Å²	189	32.6 Å²	32.6	88%	0.883	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	153.3	176.5	-64.7	-174.3	175.8	0	0	110.9	V663	E661-V663 PolarHBondContact O-N 3.24Å
662	G	93.7	Very high	97.3	Very high	48 Å²	48	30.7 Å²	30.7	50%	0.495	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	6.8	175.4	0	0	0	0	0	115.3	W756	G662-W756 WeakPolarHBondContact O-CZ2 3.37Å
663	V	97.2	Very high	97.3	Very high	12 Å²	12	29.4 Å²	29.4	7%	0.073	16%	0.159	C	C	.	.			trans	-71.3	154.3	173.7	-57	0	0	0	0	112.1	E456 E660 E661 D667 R670	E456-V663 HydrophobicContact CG-CG1 4.29Å; E456-V663 WeakPolarHBondContact OE1-CG1 3.23Å; E660-V663 HydrophobicContact CB-CG1 3.84Å; E661-V663 PolarHBondContact O-N 3.24Å; V663-D667 HydrophobicContact CB-CB 3.87Å; V663-D667 HydrophobicContact CG2-CB 3.88Å; V663-R670 HydrophobicContact CG2-CG 4.03Å
664	A	97.9	Very high	97.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.			trans	-56.7	149.7	176.7	0	0	0	0	0	112.4	T666 D667 R670 Y747 W756	A664-T666 PolarHBondContact O-N 3.23Å; A664-T666 VanDerWaalsContact O-N 3.13Å; A664-D667 VanDerWaalsContact O-CB 3.25Å; A664-D667 WeakPolarHBondContact O-CB 3.45Å; A664-D667 PolarHBondContact O-N 3.08Å; A664-R670 WeakPolarHBondContact O-CD 3.46Å; A664-Y747 HydrophobicContact CB-CE2 4.09Å; A664-W756 HydrophobicContact CB-CD2 4.15Å; A664-W756 HydrophobicContact CB-CE3 3.74Å; A664-W756 HydrophobicContact CB-CH2 3.88Å; A664-W756 HydrophobicContact CB-CZ2 4.27Å; A664-W756 HydrophobicContact CB-CZ3 3.61Å
665	P	98	Very high	97.2	Very high	39 Å²	39	31.4 Å²	31.4	25%	0.253	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-26.9	171.6	-25.1	33.6	0	0	0	114.9	R670 W756 C759 F763	P665-R670 VanDerWaalsContact CA-NH1 3.3Å; P665-W756 VanDerWaalsContact CD-CB 3.48Å; P665-W756 HydrophobicContact CG-CB 3.79Å; P665-W756 HydrophobicContact CG-CG 4.25Å; P665-C759 HydrophobicContact CB-CB 4.45Å; P665-C759 HydrophobicContact CG-CB 4.17Å; P665-F763 WeakPolarHBondContact O-CD2 3.35Å; P665-F763 WeakPolarHBondContact O-CE2 3.12Å
666	T	98.4	Very high	97.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.2	177.8	51.2	0	0	0	0	113.7	G452 E453 T454 A664 C759 P760 I762	G452-T666 WeakPolarHBondContact O-CB 3.2Å; E453-T666 WeakPolarHBondContact CG-O 3.46Å; T454-T666 PolarHBondContact N-O 3.49Å; T454-T666 VanDerWaalsContact OG1-C 3.29Å; T454-T666 PolarHBondContact OG1-O 3.48Å; T454-T666 PolarHBondContact OG1-OG1 3Å; A664-T666 PolarHBondContact O-N 3.23Å; A664-T666 VanDerWaalsContact O-N 3.13Å; T666-C759 HydrophobicContact CG2-CB 4.22Å; T666-P760 HydrophobicContact CG2-CG 4.04Å; T666-P760 WeakPolarHBondContact CG2-O 3.48Å; T666-I762 HydrophobicContact CG2-CD1 3.74Å; T666-I762 HydrophobicContact CG2-CG1 4.03Å
667	D	98.8	Very high	96.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-66.5	135.1	-176.9	-168	-92	0	0	0	112.4	T454 F455 E456 V663 A664 R669 R670 F763	T454-D667 CarbonylContact O-C 3.57Å; T454-D667 WeakPolarHBondContact O-CA 3.46Å; T454-D667 PolarHBondContact OG1-N 3.08Å; F455-D667 WeakPolarHBondContact CA-OD2 3.48Å; E456-D667 WeakPolarHBondContact CG-OD2 3.44Å; E456-D667 PolarHBondContact N-OD2 2.84Å; V663-D667 HydrophobicContact CB-CB 3.87Å; V663-D667 HydrophobicContact CG2-CB 3.88Å; A664-D667 VanDerWaalsContact O-CB 3.25Å; A664-D667 WeakPolarHBondContact O-CB 3.45Å; A664-D667 PolarHBondContact O-N 3.08Å; D667-R669 PolarHBondContact O-N 3.1Å; D667-R669 VanDerWaalsContact OD1-CB 3.25Å; D667-R669 WeakPolarHBondContact OD1-CB 3.27Å; D667-R669 WeakPolarHBondContact OD1-CD 3.48Å; D667-R669 WeakPolarHBondContact OD1-CG 3.39Å; D667-R669 IonicContact OD1-CZ 3.52Å; D667-R669 PolarHBondContact OD1-N 3.29Å; D667-R669 IonicContact OD1-NH1 3.57Å; D667-R669 PolarHBondContact OD1-NH1 2.76Å; D667-R669 IonicContact OD2-NH1 2.79Å; D667-R669 PolarHBondContact OD2-NH1 3.03Å; D667-R670 WeakPolarHBondContact O-CB 3.22Å; D667-R670 PolarHBondContact O-N 3.13Å; D667-F763 WeakPolarHBondContact O-CE2 3.46Å
668	S	98.6	Very high	96.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-53	-26.9	178.9	-64.9	0	0	0	0	113.5	S397 E453 T454 R670 R671	S397-S668 PolarHBondContact OG-OG 2.92Å; E453-S668 WeakPolarHBondContact OE1-CB 3.41Å; E453-S668 PolarHBondContact OE1-OG 3.16Å; T454-S668 PolarHBondContact O-N 3.27Å; T454-S668 PolarHBondContact O-OG 3.09Å; S668-R670 PolarHBondContact O-N 3.14Å; S668-R671 WeakPolarHBondContact O-CB 3.45Å; S668-R671 PolarHBondContact O-N 3.08Å; S668-R671 VanDerWaalsContact O-N 3.15Å
669	R	98.4	Very high	96.7	Very high	10 Å²	10	35.9 Å²	35.9	4%	0.038	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-65.1	-25	176	-66.2	169.3	-176.5	90.9	-8.8	113.7	F455 E456 N657 E658 E660 D667 R675	F455-R669 VanDerWaalsContact CE2-CZ 3.5Å; E456-R669 VanDerWaalsContact O-CZ 3.29Å; E456-R669 PolarHBondContact O-NH1 3.47Å; E456-R669 PolarHBondContact O-NH2 3Å; N657-R669 WeakPolarHBondContact OD1-CA 3.47Å; E658-R669 WeakPolarHBondContact O-CD 3.46Å; E658-R669 PolarHBondContact O-NE 3.5Å; E658-R669 VanDerWaalsContact O-NE 3.12Å; E660-R669 IonicContact OE1-CZ 2.79Å; E660-R669 IonicContact OE1-NE 2.7Å; E660-R669 IonicContact OE1-NH2 3.1Å; E660-R669 PolarHBondContact OE1-NH2 2.92Å; D667-R669 PolarHBondContact O-N 3.1Å; D667-R669 VanDerWaalsContact OD1-CB 3.25Å; D667-R669 WeakPolarHBondContact OD1-CB 3.27Å; D667-R669 WeakPolarHBondContact OD1-CD 3.48Å; D667-R669 WeakPolarHBondContact OD1-CG 3.39Å; D667-R669 IonicContact OD1-CZ 3.52Å; D667-R669 PolarHBondContact OD1-N 3.29Å; D667-R669 IonicContact OD1-NH1 3.57Å; D667-R669 PolarHBondContact OD1-NH1 2.76Å; D667-R669 IonicContact OD2-NH1 2.79Å; D667-R669 PolarHBondContact OD2-NH1 3.03Å; R669-R675 PolarHBondContact O-NH2 3.29Å
670	R	98.1	Very high	96.5	Very high	142 Å²	142	33.7 Å²	33.7	54%	0.536	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-88.5	-5.2	178.2	-61.5	-168.1	64	-177.8	-7.2	112.8	V663 A664 P665 D667 S668 P672 F763	V663-R670 HydrophobicContact CG2-CG 4.03Å; A664-R670 WeakPolarHBondContact O-CD 3.46Å; P665-R670 VanDerWaalsContact CA-NH1 3.3Å; D667-R670 WeakPolarHBondContact O-CB 3.22Å; D667-R670 PolarHBondContact O-N 3.13Å; S668-R670 PolarHBondContact O-N 3.14Å; R670-P672 WeakPolarHBondContact O-CD 3.46Å; R670-F763 HydrophobicContact CB-CD2 4.18Å; R670-F763 HydrophobicContact CB-CE2 3.86Å
671	R	98.2	Very high	96.5	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.008	19%	0.192	C	C	.	.			trans	-69.6	115.2	-179.3	-179	170.5	174.4	160.2	0.8	111.1	N448 E453 S668 D673 Q674 R675 L692 F763	N448-R671 PolarHBondContact O-NH1 3.44Å; E453-R671 IonicContact OE1-NH1 3.67Å; E453-R671 IonicContact OE2-CZ 2.75Å; E453-R671 IonicContact OE2-NH1 3.96Å; E453-R671 PolarHBondContact OE2-NH1 3.19Å; S668-R671 WeakPolarHBondContact O-CB 3.45Å; S668-R671 PolarHBondContact O-N 3.08Å; S668-R671 VanDerWaalsContact O-N 3.15Å; R671-D673 WeakPolarHBondContact CD-OD1 3.33Å; R671-D673 WeakPolarHBondContact CG-OD1 3.32Å; R671-D673 IonicContact CZ-OD1 2.65Å; R671-D673 IonicContact CZ-OD2 3.19Å; R671-D673 IonicContact NE-OD1 2.66Å; R671-D673 PolarHBondContact NE-OD1 2.9Å; R671-D673 IonicContact NE-OD2 2.75Å; R671-D673 PolarHBondContact NE-OD2 3.31Å; R671-D673 IonicContact NH2-OD1 3.39Å; R671-D673 IonicContact NH2-OD2 3.39Å; R671-D673 PolarHBondContact NH2-OD2 2.68Å; R671-Q674 HydrophobicContact CB-CB 4.31Å; R671-Q674 HydrophobicContact CG-CB 4.09Å; R671-R675 PolarHBondContact O-N 3.37Å; R671-R675 VanDerWaalsContact O-N 3.15Å; R671-L692 HydrophobicContact CG-CD1 4.37Å; R671-F763 HydrophobicContact CB-CD1 4.28Å; R671-F763 HydrophobicContact CB-CE1 3.61Å; R671-F763 HydrophobicContact CB-CE2 4.35Å; R671-F763 HydrophobicContact CB-CZ 3.66Å; R671-F763 HydrophobicContact CG-CD1 4.23Å; R671-F763 HydrophobicContact CG-CE1 3.74Å; R671-F763 HydrophobicContact CG-CZ 4.3Å
672	P	97.9	Very high	96.3	Very high	33 Å²	33	29.4 Å²	29.4	21%	0.214	15%	0.153	C	C	.	.	H	α-helix	trans	-75.1	-37.3	-164.9	27.2	-34.8	0	0	0	114.6	R670 Q674 R675 L676 E688 L692	R670-P672 WeakPolarHBondContact O-CD 3.46Å; P672-Q674 VanDerWaalsContact C-N 3.32Å; P672-Q674 PolarHBondContact O-N 3.37Å; P672-R675 PolarHBondContact O-N 3.11Å; P672-L676 WeakPolarHBondContact O-CB 3.4Å; P672-L676 VanDerWaalsContact O-CG 3.28Å; P672-L676 WeakPolarHBondContact O-CG 3.33Å; P672-L676 PolarHBondContact O-N 3.45Å; P672-E688 HydrophobicContact CB-CG 3.82Å; P672-E688 WeakPolarHBondContact CB-OE1 3.38Å; P672-E688 HydrophobicContact CG-CG 3.65Å; P672-E688 WeakPolarHBondContact CG-OE1 3.48Å; P672-L692 HydrophobicContact CG-CD1 4.2Å; P672-L692 HydrophobicContact CG-CD2 4.48Å
673	D	96.8	Very high	96	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-40.6	176.1	61.1	-23.8	0	0	0	111.8	F447 R671 M677 A685 E688 K689 L692	F447-D673 WeakPolarHBondContact CD1-OD2 3.28Å; F447-D673 HydrophobicContact CE1-CB 4.35Å; F447-D673 WeakPolarHBondContact CE1-OD2 3.35Å; R671-D673 WeakPolarHBondContact CD-OD1 3.33Å; R671-D673 WeakPolarHBondContact CG-OD1 3.32Å; R671-D673 IonicContact CZ-OD1 2.65Å; R671-D673 IonicContact CZ-OD2 3.19Å; R671-D673 IonicContact NE-OD1 2.66Å; R671-D673 PolarHBondContact NE-OD1 2.9Å; R671-D673 IonicContact NE-OD2 2.75Å; R671-D673 PolarHBondContact NE-OD2 3.31Å; R671-D673 IonicContact NH2-OD1 3.39Å; R671-D673 IonicContact NH2-OD2 3.39Å; R671-D673 PolarHBondContact NH2-OD2 2.68Å; D673-M677 PolarHBondContact O-N 2.95Å; D673-A685 WeakPolarHBondContact CB-O 3.39Å; D673-A685 WeakPolarHBondContact O-CB 3.44Å; D673-E688 HydrophobicContact CB-CB 4.03Å; D673-E688 HydrophobicContact CB-CG 4.12Å; D673-K689 HydrophobicContact CB-CB 3.91Å; D673-L692 HydrophobicContact CB-CD1 4.05Å; D673-L692 VanDerWaalsContact CG-CD1 3.4Å; D673-L692 WeakPolarHBondContact OD1-CD1 3.47Å
674	Q	96.9	Very high	95.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-43.2	176.1	-173	-179.9	-42.9	0	0	112.3	P395 F447 N657 R671 P672 M677 E678	P395-Q674 PolarHBondContact O-NE2 3.17Å; F447-Q674 HydrophobicContact CD2-CB 4.33Å; F447-Q674 HydrophobicContact CD2-CG 4.07Å; F447-Q674 HydrophobicContact CE2-CB 4.3Å; F447-Q674 HydrophobicContact CE2-CG 4.16Å; N657-Q674 PolarHBondContact ND2-NE2 3.39Å; N657-Q674 PolarHBondContact OD1-NE2 3.05Å; R671-Q674 HydrophobicContact CB-CB 4.31Å; R671-Q674 HydrophobicContact CG-CB 4.09Å; P672-Q674 VanDerWaalsContact C-N 3.32Å; P672-Q674 PolarHBondContact O-N 3.37Å; Q674-M677 PolarHBondContact O-N 3.28Å; Q674-E678 PolarHBondContact O-N 3.02Å; Q674-E678 VanDerWaalsContact O-N 3.09Å
675	R	97.4	Very high	95.6	Very high	44 Å²	44	37.7 Å²	37.7	17%	0.166	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-48.7	176.1	177.7	59.7	60.2	-153.6	-5.8	111.7	N657 R669 R671 P672 M677 E678 E679	N657-R675 PolarHBondContact O-NH1 2.76Å; N657-R675 PolarHBondContact O-NH2 2.7Å; R669-R675 PolarHBondContact O-NH2 3.29Å; R671-R675 PolarHBondContact O-N 3.37Å; R671-R675 VanDerWaalsContact O-N 3.15Å; P672-R675 PolarHBondContact O-N 3.11Å; R675-M677 VanDerWaalsContact C-N 3.27Å; R675-M677 PolarHBondContact O-N 3.12Å; R675-E678 IonicContact CZ-OE2 3.23Å; R675-E678 IonicContact NH1-OE2 3.81Å; R675-E678 PolarHBondContact NH1-OE2 3.26Å; R675-E678 WeakPolarHBondContact O-CB 3.27Å; R675-E678 PolarHBondContact O-N 3Å; R675-E678 VanDerWaalsContact O-N 3.13Å; R675-E679 VanDerWaalsContact CD-OE1 3.25Å; R675-E679 WeakPolarHBondContact CD-OE1 3.28Å; R675-E679 WeakPolarHBondContact CG-OE1 3.4Å; R675-E679 WeakPolarHBondContact O-CG 3.49Å; R675-E679 PolarHBondContact O-N 3.41Å
676	L	96.5	Very high	95.3	Very high	25 Å²	25	37.4 Å²	37.4	13%	0.131	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-38.6	178.2	-71.6	166.6	0	0	0	111.6	P672 E679 G680 R681 E684 A685 E688	P672-L676 WeakPolarHBondContact O-CB 3.4Å; P672-L676 VanDerWaalsContact O-CG 3.28Å; P672-L676 WeakPolarHBondContact O-CG 3.33Å; P672-L676 PolarHBondContact O-N 3.45Å; L676-E679 PolarHBondContact O-N 3.19Å; L676-G680 PolarHBondContact O-N 3.48Å; L676-R681 HydrophobicContact CB-CB 4.36Å; L676-R681 HydrophobicContact CD2-CB 4.16Å; L676-R681 WeakPolarHBondContact O-CA 3.11Å; L676-R681 WeakPolarHBondContact O-CB 3.4Å; L676-R681 PolarHBondContact O-N 3.45Å; L676-E684 HydrophobicContact CD1-CB 4.04Å; L676-E684 HydrophobicContact CD2-CB 4.3Å; L676-A685 HydrophobicContact CB-CB 3.78Å; L676-E688 HydrophobicContact CD1-CB 4.05Å; L676-E688 HydrophobicContact CD1-CG 4.38Å
677	M	94.9	Very high	95	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-45.5	174.9	-179.4	-179.5	-176.8	0	0	111.9	V390 N393 P395 F447 Y647 D673 Q674 R675 E679 G680 W682 A685	V390-M677 HydrophobicContact CG1-CB 3.91Å; V390-M677 HydrophobicContact CG1-CE 4.19Å; V390-M677 HydrophobicContact CG1-CG 3.66Å; V390-M677 HydrophobicContact CG1-SD 3.45Å; V390-M677 WeakPolarHBondContact CG1-SD 3.37Å; V390-M677 VanDerWaalsContact O-CE 3.23Å; V390-M677 WeakPolarHBondContact O-CE 3.39Å; N393-M677 HydrophobicContact CB-CE 3.93Å; N393-M677 HydrophobicContact CB-SD 3.73Å; N393-M677 WeakPolarHBondContact O-CE 3.28Å; P395-M677 HydrophobicContact CB-CG 4.48Å; F447-M677 HydrophobicContact CE2-CB 4.4Å; F447-M677 HydrophobicContact CE2-SD 3.41Å; F447-M677 WeakPolarHBondContact CE2-SD 3.4Å; F447-M677 HydrophobicContact CZ-CB 4.12Å; F447-M677 HydrophobicContact CZ-CG 4.49Å; F447-M677 HydrophobicContact CZ-SD 3.62Å; Y647-M677 HydrophobicContact CE1-CE 3.96Å; D673-M677 PolarHBondContact O-N 2.95Å; Q674-M677 PolarHBondContact O-N 3.28Å; R675-M677 VanDerWaalsContact C-N 3.27Å; R675-M677 PolarHBondContact O-N 3.12Å; M677-E679 PolarHBondContact O-N 3.49Å; M677-G680 PolarHBondContact O-N 3.08Å; M677-W682 HydrophobicContact CE-CZ2 4.49Å; M677-W682 PolarHBondContact O-NE1 2.78Å; M677-A685 HydrophobicContact CB-CB 4.1Å
678	E	95.9	Very high	94.9	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-34.2	179.1	-162.9	177.5	176.6	0	0	112.3	R358 I361 P395 N657 Q674 R675 G680	R358-E678 IonicContact CZ-OE1 3.4Å; R358-E678 IonicContact NH1-OE1 2.74Å; R358-E678 PolarHBondContact NH1-OE1 2.94Å; R358-E678 IonicContact NH1-OE2 2.74Å; R358-E678 IonicContact NH2-OE1 3.86Å; R358-E678 PolarHBondContact NH2-OE1 3.36Å; I361-E678 VanDerWaalsContact CG2-OE1 3.25Å; I361-E678 WeakPolarHBondContact CG2-OE1 3.32Å; P395-E678 HydrophobicContact CB-CB 3.65Å; P395-E678 HydrophobicContact CB-CG 3.93Å; P395-E678 HydrophobicContact CG-CB 4.35Å; P395-E678 HydrophobicContact CG-CG 4.16Å; N657-E678 PolarHBondContact ND2-OE2 3.29Å; Q674-E678 PolarHBondContact O-N 3.02Å; Q674-E678 VanDerWaalsContact O-N 3.09Å; R675-E678 IonicContact CZ-OE2 3.23Å; R675-E678 IonicContact NH1-OE2 3.81Å; R675-E678 PolarHBondContact NH1-OE2 3.26Å; R675-E678 WeakPolarHBondContact O-CB 3.27Å; R675-E678 PolarHBondContact O-N 3Å; R675-E678 VanDerWaalsContact O-N 3.13Å; E678-G680 PolarHBondContact O-N 3.09Å
679	E	95.3	Very high	94.6	Very high	94 Å²	94	43.1 Å²	43.1	44%	0.439	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-0.1	175.2	-67.9	171.9	-174.3	0	0	113.6	R675 L676 M677 R681	R675-E679 VanDerWaalsContact CD-OE1 3.25Å; R675-E679 WeakPolarHBondContact CD-OE1 3.28Å; R675-E679 WeakPolarHBondContact CG-OE1 3.4Å; R675-E679 WeakPolarHBondContact O-CG 3.49Å; R675-E679 PolarHBondContact O-N 3.41Å; L676-E679 PolarHBondContact O-N 3.19Å; M677-E679 PolarHBondContact O-N 3.49Å; E679-R681 VanDerWaalsContact C-N 3.3Å; E679-R681 HydrophobicContact CB-CG 4.4Å; E679-R681 PolarHBondContact O-N 3.4Å; E679-R681 IonicContact OE2-NH1 3.64Å
680	G	91.9	Very high	94.3	Very high	32 Å²	32	49 Å²	49	33%	0.33	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	5	-178.7	0	0	0	0	0	114.8	L676 M677 E678 W682	L676-G680 PolarHBondContact O-N 3.48Å; M677-G680 PolarHBondContact O-N 3.08Å; E678-G680 PolarHBondContact O-N 3.09Å; G680-W682 VanDerWaalsContact C-N 3.28Å; G680-W682 PolarHBondContact O-N 2.92Å
681	R	92.1	Very high	94.2	Very high	111 Å²	111	47.2 Å²	47.2	42%	0.419	24%	0.236	S	C	.	.			trans	-86	61.9	-179.6	-61.8	171.6	68	-175	5.9	111.4	L676 E679 D683 E684 A685	L676-R681 HydrophobicContact CB-CB 4.36Å; L676-R681 HydrophobicContact CD2-CB 4.16Å; L676-R681 WeakPolarHBondContact O-CA 3.11Å; L676-R681 WeakPolarHBondContact O-CB 3.4Å; L676-R681 PolarHBondContact O-N 3.45Å; E679-R681 VanDerWaalsContact C-N 3.3Å; E679-R681 HydrophobicContact CB-CG 4.4Å; E679-R681 PolarHBondContact O-N 3.4Å; E679-R681 IonicContact OE2-NH1 3.64Å; R681-D683 PolarHBondContact O-N 3.48Å; R681-E684 HydrophobicContact CB-CB 4.43Å; R681-E684 IonicContact CZ-OE1 3.76Å; R681-E684 VanDerWaalsContact CZ-OE1 3.23Å; R681-E684 IonicContact CZ-OE2 3.59Å; R681-E684 IonicContact NE-OE1 2.92Å; R681-E684 PolarHBondContact NE-OE1 3.48Å; R681-E684 IonicContact NE-OE2 4Å; R681-E684 IonicContact NH2-OE1 3.51Å; R681-E684 PolarHBondContact NH2-OE1 2.87Å; R681-E684 IonicContact NH2-OE2 3.14Å; R681-E684 PolarHBondContact NH2-OE2 3.31Å; R681-E684 PolarHBondContact O-N 2.92Å; R681-A685 WeakPolarHBondContact O-CB 3.45Å; R681-A685 PolarHBondContact O-N 2.96Å
682	W	88.6	Confident	94.1	Very high	17 Å²	17	47.1 Å²	47.1	6%	0.064	24%	0.236	C	C	.	.	H	α-helix	trans	-66.1	-33.6	-166.9	-71.7	13.9	0	0	0	115	P365 Y367 N391 M677 G680 A685 N686	P365-W682 HydrophobicContact CB-CH2 4.34Å; P365-W682 HydrophobicContact CB-CZ2 4.11Å; P365-W682 HydrophobicContact CG-CD2 4.32Å; P365-W682 HydrophobicContact CG-CZ2 3.95Å; Y367-W682 AromaticContact CD2-CE3 3.74Å; Y367-W682 HydrophobicContact CD2-CE3 3.74Å; Y367-W682 HydrophobicContact CD2-CH2 4.05Å; Y367-W682 AromaticContact CD2-CZ3 3.43Å; Y367-W682 HydrophobicContact CD2-CZ3 3.43Å; Y367-W682 VanDerWaalsContact CD2-CZ3 3.43Å; Y367-W682 HydrophobicContact CE2-CE3 4.09Å; Y367-W682 HydrophobicContact CE2-CZ3 4.23Å; Y367-W682 HydrophobicContact CG-CZ3 4.18Å; N391-W682 HydrophobicContact CB-CE3 3.91Å; N391-W682 HydrophobicContact CB-CH2 4.48Å; N391-W682 HydrophobicContact CB-CZ3 3.58Å; N391-W682 VanDerWaalsContact ND2-CE3 3.34Å; N391-W682 WeakPolarHBondContact ND2-CZ3 3.4Å; M677-W682 HydrophobicContact CE-CZ2 4.49Å; M677-W682 PolarHBondContact O-NE1 2.78Å; G680-W682 VanDerWaalsContact C-N 3.28Å; G680-W682 PolarHBondContact O-N 2.92Å; W682-A685 PolarHBondContact O-N 3.2Å; W682-N686 PolarHBondContact O-N 3.21Å; W682-N686 PolarHBondContact O-ND2 3.06Å
683	D	88.7	Confident	93.8	Very high	141 Å²	141	48.3 Å²	48.3	75%	0.754	24%	0.239	S	C	*	.	H	α-helix	trans	-67.6	-43	177.9	-69.6	-27	0	0	0	111.2	R681 N686 A687	R681-D683 PolarHBondContact O-N 3.48Å; D683-N686 PolarHBondContact O-N 2.77Å; D683-A687 PolarHBondContact O-N 3.42Å
684	E	93.8	Very high	93.7	Very high	92 Å²	92	52.1 Å²	52.1	43%	0.43	26%	0.257	S	S	.	.	H	α-helix	trans	-66.9	-40	175.5	-59.2	-175.5	-110.8	0	0	111.1	L676 R681 N686 A687 E688	L676-E684 HydrophobicContact CD1-CB 4.04Å; L676-E684 HydrophobicContact CD2-CB 4.3Å; R681-E684 HydrophobicContact CB-CB 4.43Å; R681-E684 IonicContact CZ-OE1 3.76Å; R681-E684 VanDerWaalsContact CZ-OE1 3.23Å; R681-E684 IonicContact CZ-OE2 3.59Å; R681-E684 IonicContact NE-OE1 2.92Å; R681-E684 PolarHBondContact NE-OE1 3.48Å; R681-E684 IonicContact NE-OE2 4Å; R681-E684 IonicContact NH2-OE1 3.51Å; R681-E684 PolarHBondContact NH2-OE1 2.87Å; R681-E684 IonicContact NH2-OE2 3.14Å; R681-E684 PolarHBondContact NH2-OE2 3.31Å; R681-E684 PolarHBondContact O-N 2.92Å; E684-N686 VanDerWaalsContact C-N 3.31Å; E684-N686 PolarHBondContact O-N 3.42Å; E684-A687 PolarHBondContact O-N 3.23Å; E684-E688 WeakPolarHBondContact O-CB 3.49Å; E684-E688 PolarHBondContact O-N 3.03Å
685	A	93.4	Very high	93.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.7	-41.6	172.7	0	0	0	0	0	112.1	V390 D673 L676 M677 R681 W682 K689	V390-A685 HydrophobicContact CG1-CB 4.08Å; D673-A685 WeakPolarHBondContact CB-O 3.39Å; D673-A685 WeakPolarHBondContact O-CB 3.44Å; L676-A685 HydrophobicContact CB-CB 3.78Å; M677-A685 HydrophobicContact CB-CB 4.1Å; R681-A685 WeakPolarHBondContact O-CB 3.45Å; R681-A685 PolarHBondContact O-N 2.96Å; W682-A685 PolarHBondContact O-N 3.2Å; A685-K689 VanDerWaalsContact O-CB 3.22Å; A685-K689 WeakPolarHBondContact O-CB 3.42Å; A685-K689 PolarHBondContact O-N 3.01Å
686	N	89.8	Confident	93.4	Very high	34 Å²	34	54.1 Å²	54.1	18%	0.182	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-42.1	176.3	-81.9	-58.9	0	0	0	112	V390 W682 D683 E684 Q690	V390-N686 VanDerWaalsContact CB-OD1 3.27Å; V390-N686 WeakPolarHBondContact CB-OD1 3.49Å; V390-N686 HydrophobicContact CG2-CB 4.46Å; V390-N686 WeakPolarHBondContact CG2-OD1 3.35Å; V390-N686 PolarHBondContact N-OD1 3.22Å; V390-N686 VanDerWaalsContact N-OD1 3.1Å; W682-N686 PolarHBondContact O-N 3.21Å; W682-N686 PolarHBondContact O-ND2 3.06Å; D683-N686 PolarHBondContact O-N 2.77Å; E684-N686 VanDerWaalsContact C-N 3.31Å; E684-N686 PolarHBondContact O-N 3.42Å; N686-Q690 WeakPolarHBondContact O-CG 3.41Å; N686-Q690 PolarHBondContact O-N 3.24Å; N686-Q690 VanDerWaalsContact O-N 3.17Å
687	A	92.7	Very high	93.2	Very high	61 Å²	61	58 Å²	58	50%	0.504	28%	0.28	S	S	.	.	H	α-helix	trans	-63.6	-44.7	176.9	0	0	0	0	0	111.4	D683 E684 Q690 R691	D683-A687 PolarHBondContact O-N 3.42Å; E684-A687 PolarHBondContact O-N 3.23Å; A687-Q690 WeakPolarHBondContact O-CB 3.47Å; A687-Q690 PolarHBondContact O-N 2.91Å; A687-R691 PolarHBondContact O-N 2.94Å; A687-R691 VanDerWaalsContact O-N 3.09Å
688	E	96.2	Very high	93.1	Very high	41 Å²	41	60.1 Å²	60.1	19%	0.192	30%	0.295	C	S	.	.	H	α-helix	trans	-68	-38.9	-179.6	-170.6	68.9	164.4	0	0	112.1	P672 D673 L676 E684 Q690 R691 L692	P672-E688 HydrophobicContact CB-CG 3.82Å; P672-E688 WeakPolarHBondContact CB-OE1 3.38Å; P672-E688 HydrophobicContact CG-CG 3.65Å; P672-E688 WeakPolarHBondContact CG-OE1 3.48Å; D673-E688 HydrophobicContact CB-CB 4.03Å; D673-E688 HydrophobicContact CB-CG 4.12Å; L676-E688 HydrophobicContact CD1-CB 4.05Å; L676-E688 HydrophobicContact CD1-CG 4.38Å; E684-E688 WeakPolarHBondContact O-CB 3.49Å; E684-E688 PolarHBondContact O-N 3.03Å; E688-Q690 VanDerWaalsContact C-N 3.29Å; E688-Q690 PolarHBondContact O-N 3.4Å; E688-R691 WeakPolarHBondContact O-CB 3.46Å; E688-R691 PolarHBondContact O-N 3.22Å; E688-R691 VanDerWaalsContact O-N 3.14Å; E688-R691 IonicContact OE1-CZ 3.72Å; E688-R691 IonicContact OE1-NE 3.64Å; E688-R691 PolarHBondContact OE1-NE 2.96Å; E688-R691 IonicContact OE1-NH2 3.14Å; E688-R691 PolarHBondContact OE1-NH2 3.43Å; E688-R691 IonicContact OE2-CZ 3.03Å; E688-R691 IonicContact OE2-NE 3.82Å; E688-R691 PolarHBondContact OE2-NE 3.09Å; E688-R691 IonicContact OE2-NH2 3.35Å; E688-L692 WeakPolarHBondContact O-CG 3.43Å; E688-L692 PolarHBondContact O-N 3.15Å
689	K	93.1	Very high	92.9	Very high	19 Å²	19	62.4 Å²	62.4	8%	0.083	31%	0.309	C	S	.	.	H	α-helix	trans	-56.9	-43.9	172.4	180	178	179.6	176.5	0	111.6	M388 V390 F447 D673 A685 L692 E693	M388-K689 PolarHBondContact O-NZ 3.46Å; V390-K689 HydrophobicContact CG2-CB 4.41Å; V390-K689 HydrophobicContact CG2-CD 3.61Å; F447-K689 HydrophobicContact CE1-CD 4.34Å; D673-K689 HydrophobicContact CB-CB 3.91Å; A685-K689 VanDerWaalsContact O-CB 3.22Å; A685-K689 WeakPolarHBondContact O-CB 3.42Å; A685-K689 PolarHBondContact O-N 3.01Å; K689-L692 PolarHBondContact O-N 2.79Å; K689-E693 WeakPolarHBondContact CE-OE1 3.27Å; K689-E693 HydrophobicContact CG-CG 4.45Å; K689-E693 WeakPolarHBondContact O-CB 3.49Å; K689-E693 WeakPolarHBondContact O-CG 3.44Å; K689-E693 PolarHBondContact O-N 3.42Å
690	Q	91.8	Very high	92.6	Very high	132 Å²	132	62 Å²	62	62%	0.617	30%	0.304	S	S	*	.	H	α-helix	trans	-63.7	-41.5	177	-71.1	175.8	20.8	0	0	111.9	N686 A687 E688 E693 E694	N686-Q690 WeakPolarHBondContact O-CG 3.41Å; N686-Q690 PolarHBondContact O-N 3.24Å; N686-Q690 VanDerWaalsContact O-N 3.17Å; A687-Q690 WeakPolarHBondContact O-CB 3.47Å; A687-Q690 PolarHBondContact O-N 2.91Å; E688-Q690 VanDerWaalsContact C-N 3.29Å; E688-Q690 PolarHBondContact O-N 3.4Å; Q690-E693 PolarHBondContact O-N 2.97Å; Q690-E694 WeakPolarHBondContact O-CB 3.28Å; Q690-E694 PolarHBondContact O-N 2.97Å
691	R	96.4	Very high	92.4	Very high	105 Å²	105	66.6 Å²	66.6	40%	0.396	31%	0.311	S	S	.	.	H	α-helix	trans	-59.9	-48.3	176.3	-170.9	-173.1	66.9	74.8	-6.8	111.4	A687 E688 E694 K695 F763	A687-R691 PolarHBondContact O-N 2.94Å; A687-R691 VanDerWaalsContact O-N 3.09Å; E688-R691 WeakPolarHBondContact O-CB 3.46Å; E688-R691 PolarHBondContact O-N 3.22Å; E688-R691 VanDerWaalsContact O-N 3.14Å; E688-R691 IonicContact OE1-CZ 3.72Å; E688-R691 IonicContact OE1-NE 3.64Å; E688-R691 PolarHBondContact OE1-NE 2.96Å; E688-R691 IonicContact OE1-NH2 3.14Å; E688-R691 PolarHBondContact OE1-NH2 3.43Å; E688-R691 IonicContact OE2-CZ 3.03Å; E688-R691 IonicContact OE2-NE 3.82Å; E688-R691 PolarHBondContact OE2-NE 3.09Å; E688-R691 IonicContact OE2-NH2 3.35Å; R691-E694 PolarHBondContact O-N 3.05Å; R691-K695 WeakPolarHBondContact O-CB 3.5Å; R691-K695 PolarHBondContact O-N 2.97Å; R691-F763 PolarHBondContact NH1-OXT 3.24Å; R691-F763 PolarHBondContact NH2-OXT 3.34Å
692	L	96.1	Very high	92.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61	-47.9	177.6	-69.2	176	0	0	0	112.2	L450 R671 P672 D673 E688 K689 E694 K695 Q696 F763	L450-L692 HydrophobicContact CD1-CB 4.24Å; L450-L692 HydrophobicContact CD1-CD2 4.12Å; R671-L692 HydrophobicContact CG-CD1 4.37Å; P672-L692 HydrophobicContact CG-CD1 4.2Å; P672-L692 HydrophobicContact CG-CD2 4.48Å; D673-L692 HydrophobicContact CB-CD1 4.05Å; D673-L692 VanDerWaalsContact CG-CD1 3.4Å; D673-L692 WeakPolarHBondContact OD1-CD1 3.47Å; E688-L692 WeakPolarHBondContact O-CG 3.43Å; E688-L692 PolarHBondContact O-N 3.15Å; K689-L692 PolarHBondContact O-N 2.79Å; L692-E694 VanDerWaalsContact C-N 3.33Å; L692-E694 PolarHBondContact O-N 3.35Å; L692-K695 PolarHBondContact O-N 3.45Å; L692-Q696 PolarHBondContact O-N 3.44Å; L692-F763 VanDerWaalsContact CD2-CA 3.49Å; L692-F763 HydrophobicContact CD2-CB 4.16Å; L692-F763 HydrophobicContact CD2-CD1 4.18Å; L692-F763 WeakPolarHBondContact CD2-OXT 3.4Å
693	E	92.1	Very high	92.1	Very high	58 Å²	58	68.5 Å²	68.5	27%	0.271	32%	0.322	S	S	.	.	H	α-helix	trans	-66.2	-33.1	179.6	-73.5	-178.7	-176	0	0	112.4	K689 Q690 R697	K689-E693 WeakPolarHBondContact CE-OE1 3.27Å; K689-E693 HydrophobicContact CG-CG 4.45Å; K689-E693 WeakPolarHBondContact O-CB 3.49Å; K689-E693 WeakPolarHBondContact O-CG 3.44Å; K689-E693 PolarHBondContact O-N 3.42Å; Q690-E693 PolarHBondContact O-N 2.97Å; E693-R697 WeakPolarHBondContact O-CB 3.43Å; E693-R697 VanDerWaalsContact O-CG 3.23Å; E693-R697 WeakPolarHBondContact O-CG 3.4Å; E693-R697 PolarHBondContact O-N 3.43Å; E693-R697 VanDerWaalsContact O-N 3.13Å; E693-R697 PolarHBondContact O-NE 2.9Å
694	E	93.8	Very high	91.9	Very high	80 Å²	80	65.3 Å²	65.3	37%	0.374	30%	0.303	S	S	.	.	H	α-helix	trans	-73.2	-42	172.7	-167.8	67.2	-131.4	0	0	111.9	Q690 R691 L692 Q696 R697 S698 R701	Q690-E694 WeakPolarHBondContact O-CB 3.28Å; Q690-E694 PolarHBondContact O-N 2.97Å; R691-E694 PolarHBondContact O-N 3.05Å; L692-E694 VanDerWaalsContact C-N 3.33Å; L692-E694 PolarHBondContact O-N 3.35Å; E694-Q696 PolarHBondContact O-N 3.13Å; E694-R697 PolarHBondContact O-N 3.5Å; E694-R697 VanDerWaalsContact O-N 3.15Å; E694-R697 IonicContact OE1-NH1 3.75Å; E694-R697 IonicContact OE2-CZ 2.78Å; E694-R697 IonicContact OE2-NE 2.7Å; E694-R697 IonicContact OE2-NH1 3.06Å; E694-R697 PolarHBondContact OE2-NH1 3.47Å; E694-R697 IonicContact OE2-NH2 3.9Å; E694-R697 PolarHBondContact OE2-NH2 3.44Å; E694-S698 PolarHBondContact O-N 2.96Å; E694-S698 PolarHBondContact O-OG 2.91Å; E694-R701 IonicContact OE1-NH1 2.76Å; E694-R701 PolarHBondContact OE1-NH1 3.09Å
695	K	95.8	Very high	91.5	Very high	53 Å²	53	67.8 Å²	67.8	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-54.1	-52.8	173.9	-177.8	175.6	177.1	174.3	0	110	R691 L692 R697 S698 T699 D761 F763	R691-K695 WeakPolarHBondContact O-CB 3.5Å; R691-K695 PolarHBondContact O-N 2.97Å; L692-K695 PolarHBondContact O-N 3.45Å; K695-R697 PolarHBondContact O-N 3.18Å; K695-S698 PolarHBondContact O-N 2.86Å; K695-S698 VanDerWaalsContact O-N 3.11Å; K695-S698 PolarHBondContact O-OG 3.34Å; K695-T699 PolarHBondContact O-N 3.35Å; K695-T699 PolarHBondContact O-OG1 3.29Å; K695-T699 VanDerWaalsContact O-OG1 3.14Å; K695-D761 VanDerWaalsContact CE-O 3.29Å; K695-D761 WeakPolarHBondContact CE-O 3.46Å; K695-D761 PolarHBondContact NZ-O 3.34Å; K695-D761 IonicContact NZ-OD1 3.85Å; K695-D761 PolarHBondContact NZ-OD1 3.1Å; K695-D761 IonicContact NZ-OD2 3.72Å; K695-D761 PolarHBondContact NZ-OD2 3.2Å; K695-F763 PolarHBondContact NZ-O 2.97Å
696	Q	93.5	Very high	91	Very high	34 Å²	34	71.8 Å²	71.8	16%	0.159	33%	0.33	C	S	.	.	H	α-helix	trans	-59.2	-42.3	177	-178.2	173.2	-98.1	0	0	113.2	L450 H474 L692 E694 S698 R700	L450-Q696 HydrophobicContact CD2-CB 4.4Å; H474-Q696 PolarHBondContact CE1-NE2 3.38Å; H474-Q696 PolarHBondContact NE2-NE2 3.41Å; H474-Q696 VanDerWaalsContact NE2-NE2 3.18Å; L692-Q696 PolarHBondContact O-N 3.44Å; E694-Q696 PolarHBondContact O-N 3.13Å; Q696-S698 VanDerWaalsContact C-N 3.32Å; Q696-S698 PolarHBondContact O-N 3.37Å; Q696-R700 WeakPolarHBondContact O-CB 3.46Å; Q696-R700 PolarHBondContact O-N 3.07Å
697	R	91.6	Very high	90.5	Very high	106 Å²	106	72 Å²	72	40%	0.4	34%	0.336	S	S	.	.	H	α-helix	trans	-63	-38.2	176.5	-79.9	-179.7	-74.9	142.1	0.7	111.9	E693 E694 K695 R701	E693-R697 WeakPolarHBondContact O-CB 3.43Å; E693-R697 VanDerWaalsContact O-CG 3.23Å; E693-R697 WeakPolarHBondContact O-CG 3.4Å; E693-R697 PolarHBondContact O-N 3.43Å; E693-R697 VanDerWaalsContact O-N 3.13Å; E693-R697 PolarHBondContact O-NE 2.9Å; E694-R697 PolarHBondContact O-N 3.5Å; E694-R697 VanDerWaalsContact O-N 3.15Å; E694-R697 IonicContact OE1-NH1 3.75Å; E694-R697 IonicContact OE2-CZ 2.78Å; E694-R697 IonicContact OE2-NE 2.7Å; E694-R697 IonicContact OE2-NH1 3.06Å; E694-R697 PolarHBondContact OE2-NH1 3.47Å; E694-R697 IonicContact OE2-NH2 3.9Å; E694-R697 PolarHBondContact OE2-NH2 3.44Å; K695-R697 PolarHBondContact O-N 3.18Å; R697-R701 VanDerWaalsContact O-CG 3.31Å; R697-R701 WeakPolarHBondContact O-CG 3.26Å; R697-R701 PolarHBondContact O-N 3.08Å; R697-R701 VanDerWaalsContact O-N 3.14Å
698	S	92.3	Very high	89.8	Confident	44 Å²	44	73.3 Å²	73.3	31%	0.308	34%	0.338	S	S	.	.	H	α-helix	trans	-67.4	-48.6	177.2	71.1	0	0	0	0	112.2	E694 K695 Q696 R700 R701 E702	E694-S698 PolarHBondContact O-N 2.96Å; E694-S698 PolarHBondContact O-OG 2.91Å; K695-S698 PolarHBondContact O-N 2.86Å; K695-S698 VanDerWaalsContact O-N 3.11Å; K695-S698 PolarHBondContact O-OG 3.34Å; Q696-S698 VanDerWaalsContact C-N 3.32Å; Q696-S698 PolarHBondContact O-N 3.37Å; S698-R700 VanDerWaalsContact C-N 3.31Å; S698-R700 PolarHBondContact O-N 2.93Å; S698-R701 WeakPolarHBondContact O-CB 3.37Å; S698-R701 PolarHBondContact O-N 3.27Å; S698-R701 VanDerWaalsContact O-N 3.13Å; S698-E702 PolarHBondContact O-N 3.35Å
699	T	91.3	Very high	88.9	Confident	56 Å²	56	78.8 Å²	78.8	34%	0.344	36%	0.361	S	S	.	.	H	α-helix	trans	-60.5	-39.7	176.9	-53.1	0	0	0	0	111.8	K695 E702 R703	K695-T699 PolarHBondContact O-N 3.35Å; K695-T699 PolarHBondContact O-OG1 3.29Å; K695-T699 VanDerWaalsContact O-OG1 3.14Å; T699-E702 WeakPolarHBondContact O-CB 3.37Å; T699-E702 PolarHBondContact O-N 3.5Å; T699-R703 WeakPolarHBondContact O-CG 3.35Å; T699-R703 PolarHBondContact O-N 3.26Å
700	R	89.5	Confident	87.9	Confident	85 Å²	85	81.9 Å²	81.9	32%	0.321	39%	0.39	S	S	.	.	H	α-helix	trans	-61.2	-47.6	174.2	-179.3	-178.1	163.6	-149.6	-11.3	111.8	H475 Q696 S698 E702 R703 E704	H475-R700 VanDerWaalsContact CD2-CZ 3.5Å; H475-R700 PolarHBondContact CD2-NH1 3.28Å; H475-R700 PolarHBondContact NE2-NH1 3.43Å; Q696-R700 WeakPolarHBondContact O-CB 3.46Å; Q696-R700 PolarHBondContact O-N 3.07Å; S698-R700 VanDerWaalsContact C-N 3.31Å; S698-R700 PolarHBondContact O-N 2.93Å; R700-E702 PolarHBondContact O-N 2.93Å; R700-R703 PolarHBondContact O-N 3.2Å; R700-E704 HydrophobicContact CG-CG 4.48Å; R700-E704 IonicContact CZ-OE1 2.86Å; R700-E704 IonicContact NE-OE1 2.67Å; R700-E704 PolarHBondContact NE-OE1 3.09Å; R700-E704 IonicContact NH2-OE1 3.42Å; R700-E704 PolarHBondContact NH2-OE1 2.9Å; R700-E704 WeakPolarHBondContact O-CG 3.4Å; R700-E704 PolarHBondContact O-N 3.06Å
701	R	88.9	Confident	86.9	Confident	130 Å²	130	76.9 Å²	76.9	49%	0.491	37%	0.371	S	S	.	.	H	α-helix	trans	-61.6	-34	177.1	-71.2	170.9	-173.6	147.3	0.6	111.9	E694 R697 S698 R705	E694-R701 IonicContact OE1-NH1 2.76Å; E694-R701 PolarHBondContact OE1-NH1 3.09Å; R697-R701 VanDerWaalsContact O-CG 3.31Å; R697-R701 WeakPolarHBondContact O-CG 3.26Å; R697-R701 PolarHBondContact O-N 3.08Å; R697-R701 VanDerWaalsContact O-N 3.14Å; S698-R701 WeakPolarHBondContact O-CB 3.37Å; S698-R701 PolarHBondContact O-N 3.27Å; S698-R701 VanDerWaalsContact O-N 3.13Å; R701-R705 WeakPolarHBondContact O-CB 3.36Å; R701-R705 VanDerWaalsContact O-CG 3.26Å; R701-R705 WeakPolarHBondContact O-CG 3.36Å; R701-R705 PolarHBondContact O-N 2.89Å; R701-R705 PolarHBondContact O-NE 3.05Å
702	E	87.8	Confident	85.3	Confident	92 Å²	92	77.4 Å²	77.4	43%	0.43	39%	0.388	S	S	.	.	H	α-helix	trans	-64.3	-51.2	173.3	-78.8	168.1	-174.5	0	0	111.9	S698 T699 R700 E704 R705 D706	S698-E702 PolarHBondContact O-N 3.35Å; T699-E702 WeakPolarHBondContact O-CB 3.37Å; T699-E702 PolarHBondContact O-N 3.5Å; R700-E702 PolarHBondContact O-N 2.93Å; E702-E704 VanDerWaalsContact C-N 3.33Å; E702-E704 PolarHBondContact O-N 3.39Å; E702-R705 WeakPolarHBondContact O-CB 3.25Å; E702-R705 PolarHBondContact O-N 2.95Å; E702-R705 VanDerWaalsContact O-N 3.12Å; E702-R705 IonicContact OE1-NH2 3.9Å; E702-D706 PolarHBondContact O-N 3.33Å
703	R	86.1	Confident	83.5	Confident	75 Å²	75	80.3 Å²	80.3	28%	0.283	41%	0.406	S	S	.	.	H	α-helix	trans	-59.4	-42.2	176.5	-68.6	-166.8	-52.1	-143.7	-0.3	112.8	T699 R700 R705 D706 A707 D721	T699-R703 WeakPolarHBondContact O-CG 3.35Å; T699-R703 PolarHBondContact O-N 3.26Å; R700-R703 PolarHBondContact O-N 3.2Å; R703-R705 VanDerWaalsContact C-N 3.35Å; R703-D706 PolarHBondContact O-N 3.39Å; R703-A707 VanDerWaalsContact O-CB 3.31Å; R703-A707 WeakPolarHBondContact O-CB 3.38Å; R703-A707 PolarHBondContact O-N 3.4Å; R703-D721 IonicContact CZ-OD1 3.22Å; R703-D721 VanDerWaalsContact CZ-OD1 3.22Å; R703-D721 IonicContact CZ-OD2 3.84Å; R703-D721 IonicContact NE-OD1 3.06Å; R703-D721 PolarHBondContact NE-OD1 3.06Å; R703-D721 IonicContact NH2-OD1 2.75Å; R703-D721 PolarHBondContact NH2-OD1 3.39Å; R703-D721 IonicContact NH2-OD2 3.16Å; R703-D721 PolarHBondContact NH2-OD2 3.05Å
704	E	84.9	Confident	81.9	Confident	75 Å²	75	83.8 Å²	83.8	35%	0.35	43%	0.433	S	S	.	.	H	α-helix	trans	-61.6	-42.8	175.7	-72.9	173.8	174.1	0	0	111.2	R700 E702 V708	R700-E704 HydrophobicContact CG-CG 4.48Å; R700-E704 IonicContact CZ-OE1 2.86Å; R700-E704 IonicContact NE-OE1 2.67Å; R700-E704 PolarHBondContact NE-OE1 3.09Å; R700-E704 IonicContact NH2-OE1 3.42Å; R700-E704 PolarHBondContact NH2-OE1 2.9Å; R700-E704 WeakPolarHBondContact O-CG 3.4Å; R700-E704 PolarHBondContact O-N 3.06Å; E702-E704 VanDerWaalsContact C-N 3.33Å; E702-E704 PolarHBondContact O-N 3.39Å; E704-V708 VanDerWaalsContact O-CG2 3.29Å; E704-V708 WeakPolarHBondContact O-CG2 3.39Å; E704-V708 PolarHBondContact O-N 2.86Å; E704-V708 VanDerWaalsContact O-N 3.1Å
705	R	83.7	Confident	80.1	Confident	143 Å²	143	88.6 Å²	88.6	54%	0.54	46%	0.456	S	S	.	.	H	α-helix	trans	-63.6	-41.7	175.6	-76.9	-175.7	-60.7	178.6	2.3	112.5	R701 E702 R703 V708 K709	R701-R705 WeakPolarHBondContact O-CB 3.36Å; R701-R705 VanDerWaalsContact O-CG 3.26Å; R701-R705 WeakPolarHBondContact O-CG 3.36Å; R701-R705 PolarHBondContact O-N 2.89Å; R701-R705 PolarHBondContact O-NE 3.05Å; E702-R705 WeakPolarHBondContact O-CB 3.25Å; E702-R705 PolarHBondContact O-N 2.95Å; E702-R705 VanDerWaalsContact O-N 3.12Å; E702-R705 IonicContact OE1-NH2 3.9Å; R703-R705 VanDerWaalsContact C-N 3.35Å; R705-V708 PolarHBondContact O-N 3.33Å; R705-K709 WeakPolarHBondContact O-CG 3.4Å; R705-K709 PolarHBondContact O-N 2.88Å; R705-K709 VanDerWaalsContact O-N 3.11Å
706	D	83	Confident	78	Confident	85 Å²	85	91.2 Å²	91.2	46%	0.455	47%	0.469	S	S	.	.	H	α-helix	trans	-74.3	-34.6	-178.2	-68.7	-21.3	0	0	0	112.1	E702 R703 V708 K709 A710	E702-D706 PolarHBondContact O-N 3.33Å; R703-D706 PolarHBondContact O-N 3.39Å; D706-V708 VanDerWaalsContact C-N 3.35Å; D706-V708 PolarHBondContact O-N 2.99Å; D706-K709 PolarHBondContact O-N 3.24Å; D706-K709 IonicContact OD1-NZ 2.85Å; D706-K709 PolarHBondContact OD1-NZ 3.3Å; D706-A710 WeakPolarHBondContact O-CB 3.47Å; D706-A710 PolarHBondContact O-N 3.12Å
707	A	79.3	Confident	75.8	Confident	37 Å²	37	90.8 Å²	90.8	31%	0.306	47%	0.473	S	S	.	.	H	α-helix	trans	-60.7	-42.8	170.4	0	0	0	0	0	111.8	R703 K709 A710 A711	R703-A707 VanDerWaalsContact O-CB 3.31Å; R703-A707 WeakPolarHBondContact O-CB 3.38Å; R703-A707 PolarHBondContact O-N 3.4Å; A707-K709 PolarHBondContact O-N 3.28Å; A707-A710 PolarHBondContact O-N 3.39Å; A707-A711 PolarHBondContact O-N 2.78Å; A707-A711 VanDerWaalsContact O-N 3.09Å
708	V	78.5	Confident	73.6	Confident	90 Å²	90	90 Å²	90	55%	0.545	49%	0.49	S	S	.	.	H	α-helix	trans	-64.4	-38.1	175.7	171.2	0	0	0	0	111.9	E704 R705 D706	E704-V708 VanDerWaalsContact O-CG2 3.29Å; E704-V708 WeakPolarHBondContact O-CG2 3.39Å; E704-V708 PolarHBondContact O-N 2.86Å; E704-V708 VanDerWaalsContact O-N 3.1Å; R705-V708 PolarHBondContact O-N 3.33Å; D706-V708 VanDerWaalsContact C-N 3.35Å; D706-V708 PolarHBondContact O-N 2.99Å
709	K	77.8	Confident	71.6	Confident	156 Å²	156	95 Å²	95	68%	0.678	51%	0.508	S	S	*	.	H	α-helix	trans	-68.7	-33.6	175.8	-69.9	173.4	-161.5	154.6	0	113	R705 D706 A707	R705-K709 WeakPolarHBondContact O-CG 3.4Å; R705-K709 PolarHBondContact O-N 2.88Å; R705-K709 VanDerWaalsContact O-N 3.11Å; D706-K709 PolarHBondContact O-N 3.24Å; D706-K709 IonicContact OD1-NZ 2.85Å; D706-K709 PolarHBondContact OD1-NZ 3.3Å; A707-K709 PolarHBondContact O-N 3.28Å
710	A	72.4	Confident	69.8	Low	83 Å²	83	97 Å²	97	69%	0.686	52%	0.522	S	S	*	.	H	α-helix	trans	-82.2	-14.4	-178.8	0	0	0	0	0	113.2	D706 A707	D706-A710 WeakPolarHBondContact O-CB 3.47Å; D706-A710 PolarHBondContact O-N 3.12Å; A707-A710 PolarHBondContact O-N 3.39Å
711	A	69.4	Low	68.5	Low	28 Å²	28	95.4 Å²	95.4	23%	0.231	52%	0.52	C	S	.	.			trans	-72.2	126.9	-180	0	0	0	0	0	111.3	A707 T713	A707-A711 PolarHBondContact O-N 2.78Å; A707-A711 VanDerWaalsContact O-N 3.09Å; A711-T713 VanDerWaalsContact C-N 3.26Å; A711-T713 PolarHBondContact O-N 2.95Å
712	P	62.9	Low	67.6	Low	115 Å²	115	95.4 Å²	95.4	75%	0.747	53%	0.53	S	S	*	.	S	Bend	trans	-71.4	-17.9	-179.5	25.9	-30.9	0	0	0	113.4
713	T	59.9	Low	67.5	Low	61 Å²	61	93.5 Å²	93.5	37%	0.374	52%	0.519	S	S	.	.	S	Bend	trans	-135.7	147.2	173.4	63.7	0	0	0	0	112	A711 E715 E716	A711-T713 VanDerWaalsContact C-N 3.26Å; A711-T713 PolarHBondContact O-N 2.95Å; T713-E715 PolarHBondContact O-N 3.48Å; T713-E716 PolarHBondContact O-N 3.02Å; T713-E716 WeakPolarHBondContact OG1-CG 3.46Å; T713-E716 PolarHBondContact OG1-OE2 2.98Å
714	P	58.3	Low	67.7	Low	131 Å²	131	98.1 Å²	98.1	85%	0.851	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.5	-179.9	-21	31.9	0	0	0	114.5
715	E	55.3	Low	68.2	Low	182 Å²	182	95 Å²	95	85%	0.85	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-22.4	-178.7	-67.6	-176	167.2	0	0	112.9	T713	T713-E715 PolarHBondContact O-N 3.48Å
716	E	51.5	Low	68.8	Low	108 Å²	108	90 Å²	90	51%	0.505	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-15.9	175.1	-72.9	172.4	150.5	0	0	113.4	T713 A718	T713-E716 PolarHBondContact O-N 3.02Å; T713-E716 WeakPolarHBondContact OG1-CG 3.46Å; T713-E716 PolarHBondContact OG1-OE2 2.98Å; E716-A718 PolarHBondContact O-N 3.28Å; E716-A718 VanDerWaalsContact O-N 3.08Å
717	G	47.4	Very low	69.5	Low	24 Å²	24	86.2 Å²	86.2	25%	0.247	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	4.1	-179.8	0	0	0	0	0	115.5
718	A	45.1	Very low	70.4	Confident	91 Å²	91	84.7 Å²	84.7	75%	0.752	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	13.2	-178.4	0	0	0	0	0	114	E716	E716-A718 PolarHBondContact O-N 3.28Å; E716-A718 VanDerWaalsContact O-N 3.08Å
719	H	51.2	Low	71.2	Confident	147 Å²	147	85.2 Å²	85.2	68%	0.681	48%	0.477	S	S	*	.	S	Bend	trans	-81.3	148.1	177.2	-86.3	-66.8	0	0	0	113.1
720	P	53.9	Low	71.9	Confident	99 Å²	99	84.6 Å²	84.6	64%	0.643	47%	0.474	S	S	*	.			trans	-67.2	148.2	-166.2	28.1	-34.2	0	0	0	112.2	N722	P720-N722 PolarHBondContact O-N 3.18Å; P720-N722 PolarHBondContact O-OD1 3.38Å
721	D	60.8	Low	72.7	Confident	52 Å²	52	83.1 Å²	83.1	28%	0.278	45%	0.454	S	S	.	.			trans	-17.7	101.7	173.3	-164.5	4.8	0	0	0	113.8	R703 Y723	R703-D721 IonicContact CZ-OD1 3.22Å; R703-D721 VanDerWaalsContact CZ-OD1 3.22Å; R703-D721 IonicContact CZ-OD2 3.84Å; R703-D721 IonicContact NE-OD1 3.06Å; R703-D721 PolarHBondContact NE-OD1 3.06Å; R703-D721 IonicContact NH2-OD1 2.75Å; R703-D721 PolarHBondContact NH2-OD1 3.39Å; R703-D721 IonicContact NH2-OD2 3.16Å; R703-D721 PolarHBondContact NH2-OD2 3.05Å; D721-Y723 PolarHBondContact O-N 3.03Å
722	N	70.4	Confident	73.6	Confident	129 Å²	129	87.7 Å²	87.7	69%	0.69	47%	0.47	S	S	*	.			trans	-71.7	27.3	-176.3	-80.4	-15.8	0	0	0	113.4	P720 Q724	P720-N722 PolarHBondContact O-N 3.18Å; P720-N722 PolarHBondContact O-OD1 3.38Å; N722-Q724 PolarHBondContact O-N 2.98Å
723	Y	86.1	Confident	74.5	Confident	52 Å²	52	82.7 Å²	82.7	20%	0.204	44%	0.437	C	S	.	.			trans	-61.9	131.9	176.1	177.5	-102.2	0	0	0	110.4	L451 G452 E470 D721 A725	L451-Y723 HydrophobicContact CD1-CD1 3.6Å; L451-Y723 HydrophobicContact CD1-CE1 3.79Å; L451-Y723 HydrophobicContact CD1-CG 4.16Å; L451-Y723 HydrophobicContact CD2-CD1 3.98Å; L451-Y723 HydrophobicContact CD2-CD2 3.9Å; L451-Y723 HydrophobicContact CD2-CE1 4.5Å; L451-Y723 HydrophobicContact CD2-CE2 4.4Å; L451-Y723 HydrophobicContact CD2-CG 3.64Å; L451-Y723 HydrophobicContact CG-CD1 3.81Å; L451-Y723 HydrophobicContact CG-CD2 4.19Å; L451-Y723 HydrophobicContact CG-CE1 3.9Å; L451-Y723 HydrophobicContact CG-CE2 4.24Å; L451-Y723 HydrophobicContact CG-CG 3.96Å; G452-Y723 WeakPolarHBondContact CA-OH 3.4Å; E470-Y723 PolarHBondContact OE1-OH 2.73Å; D721-Y723 PolarHBondContact O-N 3.03Å; Y723-A725 HydrophobicContact CE1-CB 4.41Å
724	Q	90	Very high	75.4	Confident	172 Å²	172	85 Å²	85	80%	0.804	46%	0.456	S	S	*	.			trans	-110.1	126.3	172	-66	-174.6	-3.1	0	0	108.7	N722	N722-Q724 PolarHBondContact O-N 2.98Å
725	A	94.8	Very high	76.3	Confident	9 Å²	9	81.7 Å²	81.7	7%	0.074	43%	0.434	C	S	.	.			trans	-61	139.8	175.3	0	0	0	0	0	111	E470 V472 Y723 F728 K744	E470-A725 VanDerWaalsContact OE1-CA 3.25Å; E470-A725 WeakPolarHBondContact OE1-CA 3.5Å; E470-A725 WeakPolarHBondContact OE1-CB 3.06Å; V472-A725 HydrophobicContact CB-CB 4.12Å; V472-A725 HydrophobicContact CG1-CB 3.64Å; Y723-A725 HydrophobicContact CE1-CB 4.41Å; A725-F728 HydrophobicContact CB-CB 4.2Å; A725-K744 PolarHBondContact O-NZ 3.47Å
726	L	96.6	Very high	77	Confident	39 Å²	39	74.6 Å²	74.6	20%	0.204	40%	0.404	C	S	.	.	S	Bend	trans	-76.6	-37.9	-173.5	-176.4	59.3	0	0	0	111.5	E470 K744 M758	E470-L726 PolarHBondContact OE1-N 3.14Å; E470-L726 PolarHBondContact OE2-N 3.29Å; L726-K744 WeakPolarHBondContact O-CE 3.25Å; L726-K744 PolarHBondContact O-NZ 3.5Å; L726-M758 HydrophobicContact CD1-CB 4.22Å; L726-M758 HydrophobicContact CD2-CB 4.3Å; L726-M758 WeakPolarHBondContact CD2-O 3.41Å
727	W	97.8	Very high	78.3	Confident	6 Å²	6	71.7 Å²	71.7	2%	0.023	40%	0.403	C	S	.	.	S	Bend	trans	-112.1	-9	-172.2	-51.3	110.9	0	0	0	113.7	L468 E470 Y743 K744 Y747 A750 W756 M758	L468-W727 HydrophobicContact CD2-CB 3.98Å; L468-W727 HydrophobicContact CD2-CG 4.4Å; E470-W727 PolarHBondContact OE2-N 2.79Å; W727-Y743 HydrophobicContact CB-CE2 4.44Å; W727-Y743 VanDerWaalsContact O-CD2 3.26Å; W727-Y743 WeakPolarHBondContact O-CD2 3.32Å; W727-K744 PolarHBondContact O-N 2.94Å; W727-Y747 AromaticContact CD1-CD2 3.87Å; W727-Y747 AromaticContact CD2-CD2 3.65Å; W727-Y747 HydrophobicContact CD2-CD2 3.65Å; W727-Y747 HydrophobicContact CD2-CG 4.28Å; W727-Y747 AromaticContact CE2-CD2 3.52Å; W727-Y747 HydrophobicContact CE3-CD2 4.25Å; W727-Y747 AromaticContact CG-CD2 3.85Å; W727-Y747 HydrophobicContact CG-CD2 3.85Å; W727-Y747 AromaticContact CZ2-CD2 3.97Å; W727-Y747 HydrophobicContact CZ2-CD2 3.97Å; W727-Y747 AromaticContact NE1-CD2 3.65Å; W727-A750 HydrophobicContact CH2-CB 3.95Å; W727-A750 HydrophobicContact CZ3-CB 4.42Å; W727-W756 HydrophobicContact CZ2-CE3 4.48Å; W727-W756 HydrophobicContact CZ2-CZ3 4.21Å; W727-M758 HydrophobicContact CH2-CE 4.19Å; W727-M758 HydrophobicContact CZ3-CE 4.28Å
728	F	97.6	Very high	79.9	Confident	4 Å²	4	73 Å²	73	2%	0.018	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151.3	179.2	-65.9	-102.6	0	0	0	111.1	L468 E470 V472 A480 H482 A725 H741 V742	L468-F728 HydrophobicContact CD2-CE2 4.07Å; L468-F728 HydrophobicContact CD2-CZ 4.4Å; L468-F728 HydrophobicContact CG-CE2 4.12Å; L468-F728 HydrophobicContact CG-CZ 4.3Å; E470-F728 HydrophobicContact CB-CD2 3.6Å; E470-F728 HydrophobicContact CB-CE2 3.6Å; E470-F728 WeakPolarHBondContact OE2-CD2 3.45Å; V472-F728 HydrophobicContact CG1-CB 4.26Å; A480-F728 HydrophobicContact CB-CB 4.34Å; A480-F728 HydrophobicContact CB-CD1 3.46Å; A480-F728 VanDerWaalsContact CB-CD1 3.46Å; A480-F728 HydrophobicContact CB-CD2 4.14Å; A480-F728 HydrophobicContact CB-CE1 3.68Å; A480-F728 HydrophobicContact CB-CE2 4.34Å; A480-F728 HydrophobicContact CB-CG 3.72Å; A480-F728 HydrophobicContact CB-CZ 4.13Å; H482-F728 HydrophobicContact CB-CE1 3.83Å; H482-F728 HydrophobicContact CB-CZ 4.12Å; A725-F728 HydrophobicContact CB-CB 4.2Å; F728-H741 HydrophobicContact CB-CB 4Å; F728-H741 HydrophobicContact CD1-CB 4.42Å; F728-V742 CarbonylContact C-O 3.54Å; F728-V742 VanDerWaalsContact CA-O 3.28Å; F728-V742 WeakPolarHBondContact CA-O 3.43Å
729	E	95.3	Very high	81.9	Confident	102 Å²	102	72.2 Å²	72.2	48%	0.477	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.2	172.4	70.2	-178.6	146.5	0	0	110.6	I731 H741 V742 K744	E729-I731 HydrophobicContact CG-CG2 4Å; E729-H741 CarbonylContact O-C 3.52Å; E729-H741 VanDerWaalsContact O-CA 3.29Å; E729-H741 WeakPolarHBondContact O-CA 3.42Å; E729-V742 PolarHBondContact N-O 3.47Å; E729-V742 PolarHBondContact O-N 3.43Å; E729-K744 HydrophobicContact CB-CB 4.26Å; E729-K744 HydrophobicContact CB-CD 4.21Å; E729-K744 HydrophobicContact CG-CB 3.95Å
730	K	92.6	Very high	83.7	Confident	143 Å²	143	65.6 Å²	65.6	62%	0.622	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	118.3	-177.7	-168.2	172	-174.7	174.6	0	109.8	T739	K730-T739 HydrophobicContact CD-CG2 3.97Å; K730-T739 HydrophobicContact CG-CG2 3.52Å
731	I	90.8	Very high	85.6	Confident	51 Å²	51	62 Å²	62	26%	0.262	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	152.2	177.6	72.3	168.3	0	0	0	111.4	E729 T739 L740 V742	E729-I731 HydrophobicContact CG-CG2 4Å; I731-T739 CarbonylContact O-C 3.56Å; I731-T739 VanDerWaalsContact O-CA 3.3Å; I731-T739 WeakPolarHBondContact O-CA 3.37Å; I731-T739 WeakPolarHBondContact O-CG2 3.4Å; I731-L740 PolarHBondContact N-O 2.95Å; I731-L740 PolarHBondContact O-N 3.15Å; I731-V742 HydrophobicContact CD1-CB 3.93Å; I731-V742 HydrophobicContact CD1-CG1 4.43Å; I731-V742 HydrophobicContact CD1-CG2 3.39Å; I731-V742 HydrophobicContact CG1-CB 4.17Å; I731-V742 HydrophobicContact CG1-CG2 3.6Å
732	H	88.3	Confident	87.2	Confident	124 Å²	124	60.5 Å²	60.5	57%	0.574	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	111.3	166	-174	73.5	0	0	0	108.9	S734 G737	H732-S734 PolarHBondContact O-N 2.77Å; H732-G737 PolarHBondContact CE1-O 3.04Å
733	D	81	Confident	88.5	Confident	10 Å²	10	56 Å²	56	5%	0.053	30%	0.299	C	S	.	.			trans	-80.3	109.7	179.3	177.9	64.9	0	0	0	110	R492 Q515 V735 S736 G737 E738 L740	R492-D733 IonicContact NH2-OD1 2.95Å; R492-D733 PolarHBondContact NH2-OD1 3.4Å; Q515-D733 PolarHBondContact NE2-OD2 3.42Å; D733-V735 PolarHBondContact O-N 3.32Å; D733-V735 VanDerWaalsContact O-N 3.14Å; D733-S736 PolarHBondContact O-N 3.17Å; D733-S736 WeakPolarHBondContact OD2-CB 3.44Å; D733-S736 PolarHBondContact OD2-N 3.38Å; D733-S736 PolarHBondContact OD2-OG 3.45Å; D733-G737 VanDerWaalsContact O-CA 3.3Å; D733-G737 WeakPolarHBondContact O-CA 3.27Å; D733-G737 PolarHBondContact O-N 3.09Å; D733-E738 PolarHBondContact N-O 3.43Å; D733-L740 HydrophobicContact CB-CD2 3.46Å; D733-L740 VanDerWaalsContact CB-CD2 3.46Å
734	S	78.9	Confident	89	Confident	109 Å²	109	58.5 Å²	58.5	76%	0.762	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.1	-176.2	59	0	0	0	0	113.9	H732	H732-S734 PolarHBondContact O-N 2.77Å
735	V	76.4	Confident	89.3	Confident	63 Å²	63	51.6 Å²	51.6	38%	0.382	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-50.4	-178.2	-179.6	0	0	0	0	111	H555 D733	H555-V735 HydrophobicContact CB-CG1 3.41Å; H555-V735 VanDerWaalsContact CB-CG1 3.41Å; H555-V735 VanDerWaalsContact CD2-CG1 3.47Å; H555-V735 WeakPolarHBondContact CD2-CG1 3.32Å; D733-V735 PolarHBondContact O-N 3.32Å; D733-V735 VanDerWaalsContact O-N 3.14Å
736	S	70.4	Confident	89.4	Confident	33 Å²	33	52.4 Å²	52.4	23%	0.231	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-19.7	178	62.9	0	0	0	0	113.8	Q515 D733 E738	Q515-S736 PolarHBondContact NE2-OG 2.92Å; Q515-S736 VanDerWaalsContact NE2-OG 3.15Å; D733-S736 PolarHBondContact O-N 3.17Å; D733-S736 WeakPolarHBondContact OD2-CB 3.44Å; D733-S736 PolarHBondContact OD2-N 3.38Å; D733-S736 PolarHBondContact OD2-OG 3.45Å; S736-E738 PolarHBondContact O-N 2.92Å; S736-E738 PolarHBondContact OG-N 3.2Å
737	G	78.6	Confident	89.5	Confident	47 Å²	47	50.6 Å²	50.6	49%	0.485	29%	0.285	S	S	.	.			trans	71.5	8.6	-170.5	0	0	0	0	0	113.4	H732 D733	H732-G737 PolarHBondContact CE1-O 3.04Å; D733-G737 VanDerWaalsContact O-CA 3.3Å; D733-G737 WeakPolarHBondContact O-CA 3.27Å; D733-G737 PolarHBondContact O-N 3.09Å
738	E	81.1	Confident	89.4	Confident	52 Å²	52	51 Å²	51	24%	0.243	29%	0.287	C	S	.	.			trans	-96.5	152.7	-178.9	-61.2	-170.6	165.7	0	0	111.1	S513 K528 D733 S736	S513-E738 WeakPolarHBondContact CB-OE2 3.39Å; K528-E738 WeakPolarHBondContact CE-OE1 3.32Å; K528-E738 IonicContact NZ-OE1 3.74Å; K528-E738 PolarHBondContact NZ-OE1 2.99Å; D733-E738 PolarHBondContact N-O 3.43Å; S736-E738 PolarHBondContact O-N 2.92Å; S736-E738 PolarHBondContact OG-N 3.2Å
739	T	86.6	Confident	89.4	Confident	73 Å²	73	54.8 Å²	54.8	45%	0.448	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122	171.1	-52	0	0	0	0	107.9	K730 I731	K730-T739 HydrophobicContact CD-CG2 3.97Å; K730-T739 HydrophobicContact CG-CG2 3.52Å; I731-T739 CarbonylContact O-C 3.56Å; I731-T739 VanDerWaalsContact O-CA 3.3Å; I731-T739 WeakPolarHBondContact O-CA 3.37Å; I731-T739 WeakPolarHBondContact O-CG2 3.4Å
740	L	90.1	Very high	89.5	Confident	9 Å²	9	50.3 Å²	50.3	5%	0.047	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	156.9	-178.6	66.5	130.2	0	0	0	112.5	R492 E494 I731 D733 V742	R492-L740 HydrophobicContact CG-CD1 4.36Å; E494-L740 HydrophobicContact CB-CB 4.21Å; E494-L740 VanDerWaalsContact OE2-CA 3.31Å; E494-L740 WeakPolarHBondContact OE2-CA 3.32Å; I731-L740 PolarHBondContact N-O 2.95Å; I731-L740 PolarHBondContact O-N 3.15Å; D733-L740 HydrophobicContact CB-CD2 3.46Å; D733-L740 VanDerWaalsContact CB-CD2 3.46Å; L740-V742 HydrophobicContact CD1-CG2 3.48Å; L740-V742 VanDerWaalsContact CD1-CG2 3.48Å; L740-V742 HydrophobicContact CG-CG2 4.05Å
741	H	94.3	Very high	89.7	Confident	24 Å²	24	45.4 Å²	45.4	11%	0.111	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.9	171.2	-72.3	84.5	0	0	0	111	V472 A480 E494 F728 E729	V472-H741 HydrophobicContact CG1-CB 4.39Å; V472-H741 HydrophobicContact CG2-CB 4.49Å; A480-H741 HydrophobicContact CB-CB 3.63Å; E494-H741 IonicContact OE1-ND1 3.69Å; E494-H741 IonicContact OE2-CE1 3.77Å; E494-H741 IonicContact OE2-CG 3.51Å; E494-H741 PolarHBondContact OE2-N 3.22Å; E494-H741 IonicContact OE2-ND1 2.7Å; E494-H741 PolarHBondContact OE2-ND1 2.96Å; F728-H741 HydrophobicContact CB-CB 4Å; F728-H741 HydrophobicContact CD1-CB 4.42Å; E729-H741 CarbonylContact O-C 3.52Å; E729-H741 VanDerWaalsContact O-CA 3.29Å; E729-H741 WeakPolarHBondContact O-CA 3.42Å
742	V	94.7	Very high	89.9	Confident	19 Å²	19	49.2 Å²	49.2	12%	0.115	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.4	178	176	0	0	0	0	109.7	F728 E729 I731 L740 K744	F728-V742 CarbonylContact C-O 3.54Å; F728-V742 VanDerWaalsContact CA-O 3.28Å; F728-V742 WeakPolarHBondContact CA-O 3.43Å; E729-V742 PolarHBondContact N-O 3.47Å; E729-V742 PolarHBondContact O-N 3.43Å; I731-V742 HydrophobicContact CD1-CB 3.93Å; I731-V742 HydrophobicContact CD1-CG1 4.43Å; I731-V742 HydrophobicContact CD1-CG2 3.39Å; I731-V742 HydrophobicContact CG1-CB 4.17Å; I731-V742 HydrophobicContact CG1-CG2 3.6Å; L740-V742 HydrophobicContact CD1-CG2 3.48Å; L740-V742 VanDerWaalsContact CD1-CG2 3.48Å; L740-V742 HydrophobicContact CG-CG2 4.05Å; V742-K744 PolarHBondContact O-N 3.34Å
743	Y	97.5	Very high	90.3	Very high	36 Å²	36	50 Å²	50	14%	0.141	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	125.2	177.9	176.6	-118.2	0	0	0	110.1	L468 H482 W727 G745 G746 Y747 W748	L468-Y743 HydrophobicContact CD2-CD2 3.84Å; L468-Y743 HydrophobicContact CD2-CE2 3.65Å; H482-Y743 HydrophobicContact CB-CG 4.42Å; H482-Y743 AromaticContact CD2-CD1 3.52Å; H482-Y743 AromaticContact CD2-CG 3.72Å; H482-Y743 VanDerWaalsContact CG-CB 3.49Å; H482-Y743 AromaticContact NE2-CD1 3.72Å; W727-Y743 HydrophobicContact CB-CE2 4.44Å; W727-Y743 VanDerWaalsContact O-CD2 3.26Å; W727-Y743 WeakPolarHBondContact O-CD2 3.32Å; Y743-G745 VanDerWaalsContact OH-C 3.31Å; Y743-G745 WeakPolarHBondContact OH-CA 3.49Å; Y743-G746 PolarHBondContact OH-N 3.42Å; Y743-Y747 PolarHBondContact OH-N 3Å; Y743-W748 AromaticContact CZ-CD1 3.88Å; Y743-W748 VanDerWaalsContact OH-CD1 3.32Å
744	K	96.4	Very high	90.9	Very high	104 Å²	104	52 Å²	52	45%	0.452	31%	0.31	S	S	.	.			trans	-97.8	0.4	-174.8	77.5	-169.7	-177.1	-163.9	0	114	A725 L726 W727 E729 V742	A725-K744 PolarHBondContact O-NZ 3.47Å; L726-K744 WeakPolarHBondContact O-CE 3.25Å; L726-K744 PolarHBondContact O-NZ 3.5Å; W727-K744 PolarHBondContact O-N 2.94Å; E729-K744 HydrophobicContact CB-CB 4.26Å; E729-K744 HydrophobicContact CB-CD 4.21Å; E729-K744 HydrophobicContact CG-CB 3.95Å; V742-K744 PolarHBondContact O-N 3.34Å
745	G	95.9	Very high	91.7	Very high	26 Å²	26	49.3 Å²	49.3	27%	0.268	29%	0.292	S	S	.	.	S	Bend	trans	95	178.3	-174.4	0	0	0	0	0	113.9	Y743 Y747	Y743-G745 VanDerWaalsContact OH-C 3.31Å; Y743-G745 WeakPolarHBondContact OH-CA 3.49Å; G745-Y747 PolarHBondContact O-N 3.46Å
746	G	96.6	Very high	92.7	Very high	27 Å²	27	48.2 Å²	48.2	28%	0.278	28%	0.281	S	S	.	.			trans	89.5	-25.5	171.8	0	0	0	0	0	116.6	Y743 D749 A750	Y743-G746 PolarHBondContact OH-N 3.42Å; G746-D749 VanDerWaalsContact CA-OD2 3.31Å; G746-D749 WeakPolarHBondContact CA-OD2 3.46Å; G746-D749 PolarHBondContact N-OD2 3.22Å; G746-A750 VanDerWaalsContact O-CB 3.22Å; G746-A750 WeakPolarHBondContact O-CB 3.35Å; G746-A750 PolarHBondContact O-N 2.98Å
747	Y	98.1	Very high	93.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.2	-51.2	-178.3	-178.5	-87.8	0	0	0	111.8	E456 L468 A664 W727 Y743 G745 D749 A750 K751 W756	E456-Y747 HydrophobicContact CB-CE1 3.86Å; E456-Y747 WeakPolarHBondContact CB-OH 3.26Å; E456-Y747 HydrophobicContact CG-CE1 4.35Å; E456-Y747 VanDerWaalsContact CG-OH 3.3Å; E456-Y747 WeakPolarHBondContact CG-OH 3.4Å; E456-Y747 VanDerWaalsContact OE2-CE1 3.3Å; E456-Y747 WeakPolarHBondContact OE2-CE1 3.37Å; E456-Y747 PolarHBondContact OE2-OH 3.36Å; L468-Y747 HydrophobicContact CD1-CD1 3.89Å; L468-Y747 HydrophobicContact CD1-CD2 3.73Å; L468-Y747 HydrophobicContact CD1-CE1 3.74Å; L468-Y747 HydrophobicContact CD1-CE2 3.58Å; L468-Y747 HydrophobicContact CD1-CG 3.9Å; L468-Y747 HydrophobicContact CD2-CD1 3.97Å; L468-Y747 HydrophobicContact CD2-CD2 3.82Å; L468-Y747 HydrophobicContact CD2-CG 3.51Å; L468-Y747 HydrophobicContact CG-CD1 4.45Å; L468-Y747 HydrophobicContact CG-CD2 4.45Å; L468-Y747 HydrophobicContact CG-CG 4.33Å; A664-Y747 HydrophobicContact CB-CE2 4.09Å; W727-Y747 AromaticContact CD1-CD2 3.87Å; W727-Y747 AromaticContact CD2-CD2 3.65Å; W727-Y747 HydrophobicContact CD2-CD2 3.65Å; W727-Y747 HydrophobicContact CD2-CG 4.28Å; W727-Y747 AromaticContact CE2-CD2 3.52Å; W727-Y747 HydrophobicContact CE3-CD2 4.25Å; W727-Y747 AromaticContact CG-CD2 3.85Å; W727-Y747 HydrophobicContact CG-CD2 3.85Å; W727-Y747 AromaticContact CZ2-CD2 3.97Å; W727-Y747 HydrophobicContact CZ2-CD2 3.97Å; W727-Y747 AromaticContact NE1-CD2 3.65Å; Y743-Y747 PolarHBondContact OH-N 3Å; G745-Y747 PolarHBondContact O-N 3.46Å; Y747-D749 VanDerWaalsContact C-N 3.32Å; Y747-D749 PolarHBondContact O-N 3.03Å; Y747-A750 PolarHBondContact O-N 3.25Å; Y747-K751 PolarHBondContact O-N 3.26Å; Y747-W756 HydrophobicContact CD2-CZ3 4.34Å; Y747-W756 HydrophobicContact CE1-CH2 4.46Å; Y747-W756 HydrophobicContact CE2-CH2 4.18Å; Y747-W756 HydrophobicContact CE2-CZ3 4.04Å
748	W	97.3	Very high	94.5	Very high	14 Å²	14	59.5 Å²	59.5	5%	0.053	32%	0.319	C	S	.	.	H	α-helix	trans	-67.8	-35	-179.2	-56.1	112.4	0	0	0	111.8	E456 D458 R466 S467 L468 F484 Y743 K751 E752	E456-W748 HydrophobicContact CB-CH2 3.96Å; E456-W748 HydrophobicContact CB-CZ3 4.26Å; D458-W748 HydrophobicContact CB-CZ3 4.19Å; R466-W748 HydrophobicContact CB-CH2 3.84Å; R466-W748 HydrophobicContact CB-CZ2 3.61Å; R466-W748 HydrophobicContact CB-CZ3 4.43Å; R466-W748 HydrophobicContact CG-CH2 4.17Å; R466-W748 HydrophobicContact CG-CZ2 4.32Å; R466-W748 HydrophobicContact CG-CZ3 4.3Å; S467-W748 WeakPolarHBondContact O-CH2 3.48Å; L468-W748 HydrophobicContact CB-CZ2 4Å; F484-W748 AromaticContact CE1-NE1 3.62Å; Y743-W748 AromaticContact CZ-CD1 3.88Å; Y743-W748 VanDerWaalsContact OH-CD1 3.32Å; W748-K751 HydrophobicContact CE3-CD 4.08Å; W748-K751 HydrophobicContact CZ3-CD 4.22Å; W748-K751 WeakPolarHBondContact O-CB 3.23Å; W748-K751 PolarHBondContact O-N 3.5Å; W748-E752 WeakPolarHBondContact O-CB 3.48Å; W748-E752 WeakPolarHBondContact O-CG 3.37Å; W748-E752 PolarHBondContact O-N 3.39Å
749	D	96.8	Very high	95.2	Very high	84 Å²	84	57.9 Å²	57.9	45%	0.449	31%	0.313	S	S	.	.	H	α-helix	trans	-64.1	-44.9	174.2	-51.1	-67.1	0	0	0	111.1	G746 Y747 K751 E752 Q753	G746-D749 VanDerWaalsContact CA-OD2 3.31Å; G746-D749 WeakPolarHBondContact CA-OD2 3.46Å; G746-D749 PolarHBondContact N-OD2 3.22Å; Y747-D749 VanDerWaalsContact C-N 3.32Å; Y747-D749 PolarHBondContact O-N 3.03Å; D749-K751 VanDerWaalsContact C-N 3.33Å; D749-K751 PolarHBondContact O-N 2.96Å; D749-E752 PolarHBondContact O-N 2.97Å; D749-Q753 WeakPolarHBondContact O-CB 3.44Å; D749-Q753 VanDerWaalsContact O-CG 3.28Å; D749-Q753 WeakPolarHBondContact O-CG 3.38Å; D749-Q753 PolarHBondContact O-N 3Å
750	A	97.1	Very high	95.5	Very high	9 Å²	9	56.9 Å²	56.9	7%	0.074	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-40.5	175.6	0	0	0	0	0	111.8	W727 G746 Y747 Q753 G754 S755 W756	W727-A750 HydrophobicContact CH2-CB 3.95Å; W727-A750 HydrophobicContact CZ3-CB 4.42Å; G746-A750 VanDerWaalsContact O-CB 3.22Å; G746-A750 WeakPolarHBondContact O-CB 3.35Å; G746-A750 PolarHBondContact O-N 2.98Å; Y747-A750 PolarHBondContact O-N 3.25Å; A750-Q753 CarbonylContact O-C 3.55Å; A750-Q753 PolarHBondContact O-N 2.94Å; A750-G754 PolarHBondContact O-N 3.47Å; A750-S755 WeakPolarHBondContact CB-O 3.19Å; A750-S755 PolarHBondContact O-N 3.02Å; A750-W756 HydrophobicContact CB-CE3 4.39Å; A750-W756 HydrophobicContact CB-CZ3 4.09Å
751	K	96.4	Very high	95.7	Very high	39 Å²	39	62.4 Å²	62.4	17%	0.17	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-49.4	174.4	-172.7	-172.2	-171.9	171.8	0	112.1	E456 D458 Y747 W748 D749 Q753 G754 W756	E456-K751 VanDerWaalsContact OE1-CE 3.31Å; E456-K751 WeakPolarHBondContact OE1-CE 3.5Å; E456-K751 IonicContact OE1-NZ 2.79Å; E456-K751 PolarHBondContact OE1-NZ 3.48Å; E456-K751 WeakPolarHBondContact OE2-CD 3.35Å; E456-K751 WeakPolarHBondContact OE2-CE 3.33Å; E456-K751 IonicContact OE2-NZ 2.86Å; E456-K751 PolarHBondContact OE2-NZ 2.8Å; D458-K751 IonicContact OD2-NZ 3.66Å; D458-K751 PolarHBondContact OD2-NZ 3.38Å; Y747-K751 PolarHBondContact O-N 3.26Å; W748-K751 HydrophobicContact CE3-CD 4.08Å; W748-K751 HydrophobicContact CZ3-CD 4.22Å; W748-K751 WeakPolarHBondContact O-CB 3.23Å; W748-K751 PolarHBondContact O-N 3.5Å; D749-K751 VanDerWaalsContact C-N 3.33Å; D749-K751 PolarHBondContact O-N 2.96Å; K751-Q753 PolarHBondContact O-N 2.86Å; K751-G754 PolarHBondContact O-N 3.47Å; K751-W756 HydrophobicContact CB-CH2 3.73Å; K751-W756 HydrophobicContact CB-CZ2 3.82Å; K751-W756 HydrophobicContact CG-CH2 4.28Å; K751-W756 HydrophobicContact CG-CZ2 4.02Å
752	E	95.3	Very high	95.8	Very high	131 Å²	131	62.5 Å²	62.5	61%	0.612	34%	0.339	S	S	*	.	H	α-helix	trans	-62.5	-30.3	-179.8	-73.9	172	-166.6	0	0	111.9	R466 W748 D749	R466-E752 IonicContact CZ-OE1 2.78Å; R466-E752 IonicContact NH1-OE1 2.74Å; R466-E752 PolarHBondContact NH1-OE1 3.43Å; R466-E752 VanDerWaalsContact NH1-OE1 3.09Å; R466-E752 IonicContact NH2-OE1 3.81Å; W748-E752 WeakPolarHBondContact O-CB 3.48Å; W748-E752 WeakPolarHBondContact O-CG 3.37Å; W748-E752 PolarHBondContact O-N 3.39Å; D749-E752 PolarHBondContact O-N 2.97Å
753	Q	96.4	Very high	95.9	Very high	140 Å²	140	63 Å²	63	65%	0.654	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.2	175.5	-64.4	169.8	31.2	0	0	114.1	D749 A750 K751 S755	D749-Q753 WeakPolarHBondContact O-CB 3.44Å; D749-Q753 VanDerWaalsContact O-CG 3.28Å; D749-Q753 WeakPolarHBondContact O-CG 3.38Å; D749-Q753 PolarHBondContact O-N 3Å; A750-Q753 CarbonylContact O-C 3.55Å; A750-Q753 PolarHBondContact O-N 2.94Å; K751-Q753 PolarHBondContact O-N 2.86Å; Q753-S755 PolarHBondContact O-N 3.45Å; Q753-S755 PolarHBondContact O-OG 2.78Å
754	G	94.4	Very high	95.8	Very high	52 Å²	52	64.4 Å²	64.4	54%	0.536	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	23.4	-173.2	0	0	0	0	0	114.5	A750 K751	A750-G754 PolarHBondContact O-N 3.47Å; K751-G754 PolarHBondContact O-N 3.47Å
755	S	95.4	Very high	95.8	Very high	54 Å²	54	62.3 Å²	62.3	38%	0.378	34%	0.344	S	S	.	.			trans	-104	95.3	-168	-67.9	0	0	0	0	111.6	A750 Q753	A750-S755 WeakPolarHBondContact CB-O 3.19Å; A750-S755 PolarHBondContact O-N 3.02Å; Q753-S755 PolarHBondContact O-N 3.45Å; Q753-S755 PolarHBondContact O-OG 2.78Å
756	W	96.9	Very high	95.8	Very high	40 Å²	40	64.3 Å²	64.3	15%	0.152	35%	0.348	C	S	.	.			trans	-107.3	16.6	-174.9	-58.5	116.4	0	0	0	114.6	G662 A664 P665 W727 Y747 A750 K751 M758 C759	G662-W756 WeakPolarHBondContact O-CZ2 3.37Å; A664-W756 HydrophobicContact CB-CD2 4.15Å; A664-W756 HydrophobicContact CB-CE3 3.74Å; A664-W756 HydrophobicContact CB-CH2 3.88Å; A664-W756 HydrophobicContact CB-CZ2 4.27Å; A664-W756 HydrophobicContact CB-CZ3 3.61Å; P665-W756 VanDerWaalsContact CD-CB 3.48Å; P665-W756 HydrophobicContact CG-CB 3.79Å; P665-W756 HydrophobicContact CG-CG 4.25Å; W727-W756 HydrophobicContact CZ2-CE3 4.48Å; W727-W756 HydrophobicContact CZ2-CZ3 4.21Å; Y747-W756 HydrophobicContact CD2-CZ3 4.34Å; Y747-W756 HydrophobicContact CE1-CH2 4.46Å; Y747-W756 HydrophobicContact CE2-CH2 4.18Å; Y747-W756 HydrophobicContact CE2-CZ3 4.04Å; A750-W756 HydrophobicContact CB-CE3 4.39Å; A750-W756 HydrophobicContact CB-CZ3 4.09Å; K751-W756 HydrophobicContact CB-CH2 3.73Å; K751-W756 HydrophobicContact CB-CZ2 3.82Å; K751-W756 HydrophobicContact CG-CH2 4.28Å; K751-W756 HydrophobicContact CG-CZ2 4.02Å; W756-M758 PolarHBondContact O-N 3.27Å; W756-M758 VanDerWaalsContact O-N 3.1Å; W756-C759 VanDerWaalsContact O-CB 3.32Å; W756-C759 WeakPolarHBondContact O-CB 3.45Å; W756-C759 PolarHBondContact O-N 3.14Å
757	E	94.1	Very high	95.7	Very high	189 Å²	189	66.5 Å²	66.5	88%	0.883	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.8	-174.4	-60.5	-177.9	172.9	0	0	113.5	C759	E757-C759 VanDerWaalsContact C-N 3.35Å
758	M	93.3	Very high	95.6	Very high	127 Å²	127	70.7 Å²	70.7	63%	0.626	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-13.5	178.4	-54.9	-164.6	-66.9	0	0	113.5	L726 W727 W756	L726-M758 HydrophobicContact CD1-CB 4.22Å; L726-M758 HydrophobicContact CD2-CB 4.3Å; L726-M758 WeakPolarHBondContact CD2-O 3.41Å; W727-M758 HydrophobicContact CH2-CE 4.19Å; W727-M758 HydrophobicContact CZ3-CE 4.28Å; W756-M758 PolarHBondContact O-N 3.27Å; W756-M758 VanDerWaalsContact O-N 3.1Å
759	C	95.2	Very high	95.4	Very high	19 Å²	19	74.5 Å²	74.5	13%	0.128	40%	0.396	C	S	.	.	S	Bend	trans	-73.8	130.7	-177.6	-75.2	0	0	0	0	111.1	P665 T666 W756 E757	P665-C759 HydrophobicContact CB-CB 4.45Å; P665-C759 HydrophobicContact CG-CB 4.17Å; T666-C759 HydrophobicContact CG2-CB 4.22Å; W756-C759 VanDerWaalsContact O-CB 3.32Å; W756-C759 WeakPolarHBondContact O-CB 3.45Å; W756-C759 PolarHBondContact O-N 3.14Å; E757-C759 VanDerWaalsContact C-N 3.35Å
760	P	93.1	Very high	95.3	Very high	52 Å²	52	73.8 Å²	73.8	34%	0.338	39%	0.392	S	S	.	.			trans	-70.5	152.4	175.1	29.3	-34.6	0	0	0	112.1	T666 I762	T666-P760 HydrophobicContact CG2-CG 4.04Å; T666-P760 WeakPolarHBondContact CG2-O 3.48Å; P760-I762 HydrophobicContact CB-CG2 4.03Å; P760-I762 HydrophobicContact CG-CG2 3.91Å; P760-I762 PolarHBondContact O-N 3.44Å
761	D	95.2	Very high	95.2	Very high	125 Å²	125	78.8 Å²	78.8	67%	0.668	42%	0.416	S	S	*	.			trans	-84.4	96.7	170.4	174.8	30.1	0	0	0	111	K695	K695-D761 VanDerWaalsContact CE-O 3.29Å; K695-D761 WeakPolarHBondContact CE-O 3.46Å; K695-D761 PolarHBondContact NZ-O 3.34Å; K695-D761 IonicContact NZ-OD1 3.85Å; K695-D761 PolarHBondContact NZ-OD1 3.1Å; K695-D761 IonicContact NZ-OD2 3.72Å; K695-D761 PolarHBondContact NZ-OD2 3.2Å
762	I	96.2	Very high	95.1	Very high	26 Å²	26	82.1 Å²	82.1	13%	0.133	44%	0.437	C	S	.	.			trans	-106.1	-14.9	-174.9	64.6	175.8	0	0	0	114.3	L450 E453 T666 P760	L450-I762 WeakPolarHBondContact CD1-O 3.22Å; E453-I762 VanDerWaalsContact CA-CD1 3.42Å; E453-I762 HydrophobicContact CB-CD1 3.87Å; E453-I762 HydrophobicContact CG-CD1 4.37Å; T666-I762 HydrophobicContact CG2-CD1 3.74Å; T666-I762 HydrophobicContact CG2-CG1 4.03Å; P760-I762 HydrophobicContact CB-CG2 4.03Å; P760-I762 HydrophobicContact CG-CG2 3.91Å; P760-I762 PolarHBondContact O-N 3.44Å
763	F	95.9	Very high	95.1	Very high	30 Å²	30	77.6 Å²	77.6	13%	0.132	42%	0.421	C	S	.	.			trans	-93.2	0	-179.6	-62.1	-41.7	0	0	0	113.3	L450 E453 P665 D667 R670 R671 R691 L692 K695	L450-F763 HydrophobicContact CD1-CD1 3.86Å; L450-F763 HydrophobicContact CD1-CE1 4.02Å; E453-F763 HydrophobicContact CG-CE1 4.37Å; E453-F763 HydrophobicContact CG-CZ 4.17Å; P665-F763 WeakPolarHBondContact O-CD2 3.35Å; P665-F763 WeakPolarHBondContact O-CE2 3.12Å; D667-F763 WeakPolarHBondContact O-CE2 3.46Å; R670-F763 HydrophobicContact CB-CD2 4.18Å; R670-F763 HydrophobicContact CB-CE2 3.86Å; R671-F763 HydrophobicContact CB-CD1 4.28Å; R671-F763 HydrophobicContact CB-CE1 3.61Å; R671-F763 HydrophobicContact CB-CE2 4.35Å; R671-F763 HydrophobicContact CB-CZ 3.66Å; R671-F763 HydrophobicContact CG-CD1 4.23Å; R671-F763 HydrophobicContact CG-CE1 3.74Å; R671-F763 HydrophobicContact CG-CZ 4.3Å; R691-F763 PolarHBondContact NH1-OXT 3.24Å; R691-F763 PolarHBondContact NH2-OXT 3.34Å; L692-F763 VanDerWaalsContact CD2-CA 3.49Å; L692-F763 HydrophobicContact CD2-CB 4.16Å; L692-F763 HydrophobicContact CD2-CD1 4.18Å; L692-F763 WeakPolarHBondContact CD2-OXT 3.4Å; K695-F763 PolarHBondContact NZ-O 2.97Å

Retrieved 763 of 763 residues in 308.1 ms (Link to these results)

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