A0A087XLR7_POEFO Loading...

APG16-like 1

AlphaFold DB , UniProt , Accession A0A087XLR7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 605 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	48.1	Very low	56.5	Low	242 Å²	242	141.8 Å²	141.8	100%	1.192	71%	0.706	S	S	*	*				0	18.3	0	-75	-158.7	-155.1	0	0	113.8
2	A	50.2	Low	58.5	Low	89 Å²	89	144.4 Å²	144.4	74%	0.736	70%	0.702	S	S	*	*			trans	-100.4	-13.4	180	0	0	0	0	0	114.3
3	E	44.5	Very low	60.3	Low	180 Å²	180	142.1 Å²	142.1	84%	0.841	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-10	-176	-76.1	175.7	150.2	0	0	115.2	R5	E3-R5 PolarHBondContact O-N 3.24Å
4	R	48.8	Very low	62.1	Low	235 Å²	235	138 Å²	138	89%	0.887	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	1.1	177.6	-75.5	-170.3	-172.3	-174.5	2.8	115
5	R	49.8	Very low	63.8	Low	228 Å²	228	132 Å²	132	86%	0.86	65%	0.648	S	S	*	*	S	Bend	trans	-98.5	-18.2	179.7	-82.5	-174.3	176.2	-179.7	-0.5	114.6	E3	E3-R5 PolarHBondContact O-N 3.24Å
6	A	51.4	Low	65.3	Low	79 Å²	79	129.5 Å²	129.5	65%	0.653	64%	0.638	S	S	*	*	S	Bend	trans	-81.3	-24	179.8	0	0	0	0	0	113.4	C8	A6-C8 VanDerWaalsContact C-N 3.27Å; A6-C8 PolarHBondContact O-N 2.72Å
7	D	51	Low	66.6	Low	109 Å²	109	127.8 Å²	127.8	58%	0.583	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	2.9	-168.3	-128.2	-2.7	0	0	0	115.6
8	C	56.3	Low	67.7	Low	56 Å²	56	125 Å²	125	38%	0.378	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.7	-4.2	-177.5	-71.4	0	0	0	0	114.1	A6 R12	A6-C8 VanDerWaalsContact C-N 3.27Å; A6-C8 PolarHBondContact O-N 2.72Å; C8-R12 WeakPolarHBondContact O-CG 3.45Å; C8-R12 PolarHBondContact O-N 2.84Å
9	S	65.8	Low	68.7	Low	85 Å²	85	125.1 Å²	125.1	59%	0.594	61%	0.613	S	S	*	*	H	α-helix	trans	-67.3	-52.2	-178	171.3	0	0	0	0	111.4	K11 R12 H13	S9-K11 PolarHBondContact O-N 2.65Å; S9-R12 PolarHBondContact O-N 3.36Å; S9-H13 WeakPolarHBondContact O-CB 3.29Å; S9-H13 PolarHBondContact O-N 3.47Å
10	W	75.8	Confident	69.6	Low	134 Å²	134	123.9 Å²	123.9	51%	0.508	61%	0.608	S	S	.	*	H	α-helix	trans	-67.8	-36.8	-177.9	67.7	-96.1	0	0	0	112.2	R12 H13 I14	W10-R12 PolarHBondContact O-N 3.32Å; W10-H13 PolarHBondContact O-N 3.39Å; W10-I14 HydrophobicContact CE3-CD1 3.68Å; W10-I14 HydrophobicContact CZ3-CD1 3.99Å; W10-I14 WeakPolarHBondContact O-CG1 3.43Å; W10-I14 PolarHBondContact O-N 2.84Å
11	K	80	Confident	70.5	Confident	123 Å²	123	124 Å²	124	54%	0.535	60%	0.602	S	S	.	*	H	α-helix	trans	-63.9	-40.7	175.4	-71.3	-175.5	-178.2	174.8	0	112.3	S9 S15	S9-K11 PolarHBondContact O-N 2.65Å; K11-S15 VanDerWaalsContact O-CB 3.3Å; K11-S15 WeakPolarHBondContact O-CB 3.48Å; K11-S15 PolarHBondContact O-N 2.77Å
12	R	80.6	Confident	72.2	Confident	173 Å²	173	115.8 Å²	115.8	65%	0.653	56%	0.563	S	S	*	*	H	α-helix	trans	-66.4	-45	174	-77	-178.4	-169.8	137.8	1.5	111.1	C8 S9 W10 I14 S15 D16	C8-R12 WeakPolarHBondContact O-CG 3.45Å; C8-R12 PolarHBondContact O-N 2.84Å; S9-R12 PolarHBondContact O-N 3.36Å; W10-R12 PolarHBondContact O-N 3.32Å; R12-I14 PolarHBondContact O-N 3Å; R12-S15 PolarHBondContact O-N 2.78Å; R12-S15 VanDerWaalsContact O-N 3.15Å; R12-D16 WeakPolarHBondContact O-CB 3.3Å; R12-D16 VanDerWaalsContact O-CG 3.27Å; R12-D16 PolarHBondContact O-N 3.39Å
13	H	81.6	Confident	73.8	Confident	114 Å²	114	121 Å²	121	53%	0.528	56%	0.564	S	S	.	*	H	α-helix	trans	-59.5	-46	178.3	-170.1	73.1	0	0	0	112.3	S9 W10 D16 Q17	S9-H13 WeakPolarHBondContact O-CB 3.29Å; S9-H13 PolarHBondContact O-N 3.47Å; W10-H13 PolarHBondContact O-N 3.39Å; H13-D16 PolarHBondContact O-N 3.21Å; H13-Q17 WeakPolarHBondContact O-CB 3.42Å; H13-Q17 VanDerWaalsContact O-CG 3.26Å; H13-Q17 WeakPolarHBondContact O-CG 3.46Å; H13-Q17 PolarHBondContact O-N 2.88Å
14	I	85	Confident	75.6	Confident	85 Å²	85	116.7 Å²	116.7	44%	0.436	55%	0.549	S	S	.	.	H	α-helix	trans	-64.3	-41.9	175.2	-66.8	177.4	0	0	0	110.9	W10 R12 D16 Q17 L18	W10-I14 HydrophobicContact CE3-CD1 3.68Å; W10-I14 HydrophobicContact CZ3-CD1 3.99Å; W10-I14 WeakPolarHBondContact O-CG1 3.43Å; W10-I14 PolarHBondContact O-N 2.84Å; R12-I14 PolarHBondContact O-N 3Å; I14-D16 VanDerWaalsContact C-N 3.32Å; I14-D16 PolarHBondContact O-N 3.31Å; I14-Q17 PolarHBondContact O-N 2.88Å; I14-L18 HydrophobicContact CG2-CD1 3.85Å; I14-L18 HydrophobicContact CG2-CG 4.3Å; I14-L18 WeakPolarHBondContact O-CB 3.37Å; I14-L18 VanDerWaalsContact O-CG 3.29Å; I14-L18 WeakPolarHBondContact O-CG 3.47Å; I14-L18 PolarHBondContact O-N 3.44Å
15	S	88.5	Confident	77.1	Confident	48 Å²	48	110.2 Å²	110.2	34%	0.336	53%	0.529	S	S	.	.	H	α-helix	trans	-61.9	-39.7	177	-173.8	0	0	0	0	112.2	K11 R12 L18 K19	K11-S15 VanDerWaalsContact O-CB 3.3Å; K11-S15 WeakPolarHBondContact O-CB 3.48Å; K11-S15 PolarHBondContact O-N 2.77Å; R12-S15 PolarHBondContact O-N 2.78Å; R12-S15 VanDerWaalsContact O-N 3.15Å; S15-L18 PolarHBondContact O-N 2.9Å; S15-K19 WeakPolarHBondContact O-CB 3.4Å; S15-K19 VanDerWaalsContact O-CG 3.27Å; S15-K19 WeakPolarHBondContact O-CG 3.46Å; S15-K19 PolarHBondContact O-N 2.84Å
16	D	86.6	Confident	78.6	Confident	92 Å²	92	108.3 Å²	108.3	49%	0.492	52%	0.522	S	S	.	.	H	α-helix	trans	-72.3	-38.3	179	-67.5	-23.5	0	0	0	111.5	R12 H13 I14 K19 L20	R12-D16 WeakPolarHBondContact O-CB 3.3Å; R12-D16 VanDerWaalsContact O-CG 3.27Å; R12-D16 PolarHBondContact O-N 3.39Å; H13-D16 PolarHBondContact O-N 3.21Å; I14-D16 VanDerWaalsContact C-N 3.32Å; I14-D16 PolarHBondContact O-N 3.31Å; D16-K19 PolarHBondContact O-N 2.64Å; D16-L20 WeakPolarHBondContact O-CB 3.36Å; D16-L20 PolarHBondContact O-N 2.78Å
17	Q	87.6	Confident	80	Confident	101 Å²	101	111 Å²	111	47%	0.472	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-41.6	172.1	-72.2	-67.8	-12.8	0	0	112	H13 I14 L20 R21	H13-Q17 WeakPolarHBondContact O-CB 3.42Å; H13-Q17 VanDerWaalsContact O-CG 3.26Å; H13-Q17 WeakPolarHBondContact O-CG 3.46Å; H13-Q17 PolarHBondContact O-N 2.88Å; I14-Q17 PolarHBondContact O-N 2.88Å; Q17-L20 PolarHBondContact O-N 3.43Å; Q17-R21 WeakPolarHBondContact O-CB 3.48Å; Q17-R21 PolarHBondContact O-N 2.8Å
18	L	86.8	Confident	81.1	Confident	77 Å²	77	110.1 Å²	110.1	40%	0.403	52%	0.519	S	S	.	.	H	α-helix	trans	-66.2	-42.3	175.6	-73.7	170.7	0	0	0	111.6	I14 S15 L20 R21 D22	I14-L18 HydrophobicContact CG2-CD1 3.85Å; I14-L18 HydrophobicContact CG2-CG 4.3Å; I14-L18 WeakPolarHBondContact O-CB 3.37Å; I14-L18 VanDerWaalsContact O-CG 3.29Å; I14-L18 WeakPolarHBondContact O-CG 3.47Å; I14-L18 PolarHBondContact O-N 3.44Å; S15-L18 PolarHBondContact O-N 2.9Å; L18-L20 VanDerWaalsContact C-N 3.32Å; L18-L20 PolarHBondContact O-N 3.28Å; L18-R21 PolarHBondContact O-N 3.21Å; L18-D22 WeakPolarHBondContact O-CB 2.96Å; L18-D22 PolarHBondContact O-N 3.42Å
19	K	87.7	Confident	82.4	Confident	127 Å²	127	113 Å²	113	55%	0.552	53%	0.526	S	S	*	.	H	α-helix	trans	-63.5	-38	174.5	-75.3	171	-173.7	167.5	0	112.3	S15 D16 R23	S15-K19 WeakPolarHBondContact O-CB 3.4Å; S15-K19 VanDerWaalsContact O-CG 3.27Å; S15-K19 WeakPolarHBondContact O-CG 3.46Å; S15-K19 PolarHBondContact O-N 2.84Å; D16-K19 PolarHBondContact O-N 2.64Å; K19-R23 WeakPolarHBondContact O-CB 3.4Å; K19-R23 PolarHBondContact O-N 2.91Å
20	L	85.1	Confident	83.1	Confident	101 Å²	101	113.1 Å²	113.1	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-66.2	-47.8	176.6	-174.8	66.5	0	0	0	110.5	D16 Q17 L18 D22 R23 V24	D16-L20 WeakPolarHBondContact O-CB 3.36Å; D16-L20 PolarHBondContact O-N 2.78Å; Q17-L20 PolarHBondContact O-N 3.43Å; L18-L20 VanDerWaalsContact C-N 3.32Å; L18-L20 PolarHBondContact O-N 3.28Å; L20-D22 PolarHBondContact O-N 2.89Å; L20-R23 PolarHBondContact O-N 3.32Å; L20-V24 VanDerWaalsContact O-CG2 3.32Å; L20-V24 WeakPolarHBondContact O-CG2 3.25Å; L20-V24 PolarHBondContact O-N 2.92Å
21	R	88.4	Confident	83.4	Confident	125 Å²	125	114 Å²	114	47%	0.472	53%	0.527	S	S	.	.	H	α-helix	trans	-56.7	-49.1	174.2	-174.3	-161.8	69.6	177.5	1.1	111.2	Q17 L18 R23 V24 Q25	Q17-R21 WeakPolarHBondContact O-CB 3.48Å; Q17-R21 PolarHBondContact O-N 2.8Å; L18-R21 PolarHBondContact O-N 3.21Å; R21-R23 VanDerWaalsContact C-N 3.3Å; R21-R23 PolarHBondContact O-N 3.05Å; R21-V24 PolarHBondContact O-N 2.81Å; R21-Q25 HydrophobicContact CG-CG 4.3Å; R21-Q25 WeakPolarHBondContact O-CB 3.49Å; R21-Q25 WeakPolarHBondContact O-CG 3.38Å; R21-Q25 PolarHBondContact O-N 3.37Å
22	D	85	Confident	83.5	Confident	70 Å²	70	113.3 Å²	113.3	37%	0.374	53%	0.527	S	S	.	.	H	α-helix	trans	-65.7	-33.4	-178.9	-70.1	-0.7	0	0	0	111.5	L18 L20 R26	L18-D22 WeakPolarHBondContact O-CB 2.96Å; L18-D22 PolarHBondContact O-N 3.42Å; L20-D22 PolarHBondContact O-N 2.89Å; D22-R26 WeakPolarHBondContact O-CB 3.37Å; D22-R26 PolarHBondContact O-N 2.86Å
23	R	84.2	Confident	83.6	Confident	200 Å²	200	108.8 Å²	108.8	76%	0.755	52%	0.519	S	S	*	.	H	α-helix	trans	-65.1	-49.1	170.9	-104.4	-173.7	-176.1	174.6	1.5	112	K19 L20 R21 R26 H27	K19-R23 WeakPolarHBondContact O-CB 3.4Å; K19-R23 PolarHBondContact O-N 2.91Å; L20-R23 PolarHBondContact O-N 3.32Å; R21-R23 VanDerWaalsContact C-N 3.3Å; R21-R23 PolarHBondContact O-N 3.05Å; R23-R26 PolarHBondContact O-N 3.1Å; R23-H27 VanDerWaalsContact O-CB 3.28Å; R23-H27 WeakPolarHBondContact O-CB 3.41Å; R23-H27 PolarHBondContact O-N 3.43Å
24	V	82.1	Confident	83.5	Confident	88 Å²	88	108 Å²	108	53%	0.533	52%	0.516	S	S	.	.	H	α-helix	trans	-64.1	-46.8	-177.7	172	0	0	0	0	110.3	L20 R21 H27 T28	L20-V24 VanDerWaalsContact O-CG2 3.32Å; L20-V24 WeakPolarHBondContact O-CG2 3.25Å; L20-V24 PolarHBondContact O-N 2.92Å; R21-V24 PolarHBondContact O-N 2.81Å; V24-H27 PolarHBondContact O-N 2.61Å; V24-T28 PolarHBondContact O-N 2.71Å; V24-T28 VanDerWaalsContact O-N 3.16Å; V24-T28 PolarHBondContact O-OG1 3.24Å
25	Q	80.7	Confident	83.4	Confident	100 Å²	100	109.2 Å²	109.2	47%	0.467	52%	0.519	S	S	.	.	H	α-helix	trans	-66.4	-40.8	177.5	-70.7	-177.7	-22.7	0	0	111.8	R21 H27 T28 F29	R21-Q25 HydrophobicContact CG-CG 4.3Å; R21-Q25 WeakPolarHBondContact O-CB 3.49Å; R21-Q25 WeakPolarHBondContact O-CG 3.38Å; R21-Q25 PolarHBondContact O-N 3.37Å; Q25-H27 VanDerWaalsContact C-N 3.33Å; Q25-H27 PolarHBondContact O-N 2.94Å; Q25-T28 PolarHBondContact O-N 3.04Å; Q25-T28 PolarHBondContact O-OG1 3.31Å; Q25-F29 WeakPolarHBondContact O-CD2 3.08Å
26	R	79.8	Confident	83.1	Confident	188 Å²	188	113.8 Å²	113.8	71%	0.709	53%	0.53	S	S	*	.	H	α-helix	trans	-64.9	-39.5	176.3	-172.1	-178	-115.6	115.5	-5.3	111.4	D22 R23 T28 F29 E30	D22-R26 WeakPolarHBondContact O-CB 3.37Å; D22-R26 PolarHBondContact O-N 2.86Å; R23-R26 PolarHBondContact O-N 3.1Å; R26-T28 VanDerWaalsContact C-N 3.34Å; R26-T28 PolarHBondContact O-N 3.47Å; R26-F29 CarbonylContact O-C 3.54Å; R26-F29 PolarHBondContact O-N 3.28Å; R26-F29 VanDerWaalsContact O-N 3.15Å; R26-E30 PolarHBondContact O-N 2.83Å
27	H	80.6	Confident	82.9	Confident	135 Å²	135	113 Å²	113	63%	0.625	53%	0.526	S	S	*	.	H	α-helix	trans	-63.6	-39.1	180	-167.6	54.3	0	0	0	112.1	R23 V24 Q25 F29 E30	R23-H27 VanDerWaalsContact O-CB 3.28Å; R23-H27 WeakPolarHBondContact O-CB 3.41Å; R23-H27 PolarHBondContact O-N 3.43Å; V24-H27 PolarHBondContact O-N 2.61Å; Q25-H27 VanDerWaalsContact C-N 3.33Å; Q25-H27 PolarHBondContact O-N 2.94Å; H27-F29 PolarHBondContact O-N 3.35Å; H27-E30 IonicContact CE1-OE2 3.14Å; H27-E30 IonicContact CG-OE2 3.07Å; H27-E30 IonicContact ND1-OE2 3.67Å; H27-E30 PolarHBondContact ND1-OE2 3.27Å; H27-E30 WeakPolarHBondContact O-CB 3.45Å; H27-E30 PolarHBondContact O-N 3.14Å
28	T	75.9	Confident	82.6	Confident	90 Å²	90	114.8 Å²	114.8	55%	0.552	53%	0.529	S	S	*	.	H	α-helix	trans	-63.5	-22.9	175.9	50.3	0	0	0	0	113.8	V24 Q25 R26	V24-T28 PolarHBondContact O-N 2.71Å; V24-T28 VanDerWaalsContact O-N 3.16Å; V24-T28 PolarHBondContact O-OG1 3.24Å; Q25-T28 PolarHBondContact O-N 3.04Å; Q25-T28 PolarHBondContact O-OG1 3.31Å; R26-T28 VanDerWaalsContact C-N 3.34Å; R26-T28 PolarHBondContact O-N 3.47Å
29	F	82.3	Confident	82.4	Confident	117 Å²	117	116.8 Å²	116.8	51%	0.513	54%	0.539	S	S	.	.	H	α-helix	trans	-106.6	0.6	177.9	-60.9	-68.9	0	0	0	113.4	Q25 R26 H27 E31 I32 V33	Q25-F29 WeakPolarHBondContact O-CD2 3.08Å; R26-F29 CarbonylContact O-C 3.54Å; R26-F29 PolarHBondContact O-N 3.28Å; R26-F29 VanDerWaalsContact O-N 3.15Å; H27-F29 PolarHBondContact O-N 3.35Å; F29-E31 VanDerWaalsContact C-N 3.34Å; F29-E31 PolarHBondContact O-N 3.2Å; F29-I32 HydrophobicContact CD1-CD1 4.06Å; F29-I32 PolarHBondContact O-N 2.91Å; F29-I32 VanDerWaalsContact O-N 3.15Å; F29-V33 WeakPolarHBondContact O-CG2 3.36Å; F29-V33 PolarHBondContact O-N 3.1Å
30	E	81.6	Confident	82.2	Confident	88 Å²	88	114.3 Å²	114.3	41%	0.411	53%	0.532	S	S	.	.	H	α-helix	trans	-64.2	-40.2	-173.7	-168.9	163.5	-158.8	0	0	111.7	R26 H27 V33 Q34	R26-E30 PolarHBondContact O-N 2.83Å; H27-E30 IonicContact CE1-OE2 3.14Å; H27-E30 IonicContact CG-OE2 3.07Å; H27-E30 IonicContact ND1-OE2 3.67Å; H27-E30 PolarHBondContact ND1-OE2 3.27Å; H27-E30 WeakPolarHBondContact O-CB 3.45Å; H27-E30 PolarHBondContact O-N 3.14Å; E30-V33 PolarHBondContact O-N 3.31Å; E30-Q34 WeakPolarHBondContact O-CB 3.32Å; E30-Q34 VanDerWaalsContact O-CG 3.32Å; E30-Q34 WeakPolarHBondContact O-CG 3.48Å; E30-Q34 PolarHBondContact O-N 2.9Å
31	E	80.6	Confident	81.9	Confident	152 Å²	152	115.5 Å²	115.5	71%	0.71	53%	0.534	S	S	*	.	H	α-helix	trans	-63.6	-44.3	173	-65.8	-171.8	167.6	0	0	111.7	F29 V33 Q34 Q35	F29-E31 VanDerWaalsContact C-N 3.34Å; F29-E31 PolarHBondContact O-N 3.2Å; E31-V33 PolarHBondContact O-N 3.39Å; E31-Q34 PolarHBondContact O-N 2.95Å; E31-Q35 VanDerWaalsContact O-CG 3.3Å; E31-Q35 WeakPolarHBondContact O-CG 3.21Å; E31-Q35 PolarHBondContact O-N 2.87Å
32	I	83.6	Confident	81.6	Confident	108 Å²	108	116.6 Å²	116.6	55%	0.554	54%	0.542	S	S	*	.	H	α-helix	trans	-63.4	-43.1	179.1	-68.5	168.8	0	0	0	110.7	F29 Q35 Y36	F29-I32 HydrophobicContact CD1-CD1 4.06Å; F29-I32 PolarHBondContact O-N 2.91Å; F29-I32 VanDerWaalsContact O-N 3.15Å; I32-Q35 PolarHBondContact O-N 3.35Å; I32-Y36 VanDerWaalsContact O-CB 3.27Å; I32-Y36 WeakPolarHBondContact O-CB 3.5Å; I32-Y36 PolarHBondContact O-N 2.83Å
33	V	80.9	Confident	81.3	Confident	79 Å²	79	116.6 Å²	116.6	48%	0.479	55%	0.548	S	S	.	.	H	α-helix	trans	-63.7	-41.9	176.9	171.9	0	0	0	0	111	F29 E30 E31 Y36 N37	F29-V33 WeakPolarHBondContact O-CG2 3.36Å; F29-V33 PolarHBondContact O-N 3.1Å; E30-V33 PolarHBondContact O-N 3.31Å; E31-V33 PolarHBondContact O-N 3.39Å; V33-Y36 PolarHBondContact O-N 2.53Å; V33-N37 WeakPolarHBondContact O-CB 3.41Å; V33-N37 VanDerWaalsContact O-CG 3.3Å; V33-N37 PolarHBondContact O-N 3.39Å; V33-N37 PolarHBondContact O-ND2 3.1Å
34	Q	80.1	Confident	81.1	Confident	97 Å²	97	111.5 Å²	111.5	45%	0.453	54%	0.536	S	S	.	.	H	α-helix	trans	-64	-42.9	175.5	-75	178.9	15.4	0	0	112.3	E30 E31 R38	E30-Q34 WeakPolarHBondContact O-CB 3.32Å; E30-Q34 VanDerWaalsContact O-CG 3.32Å; E30-Q34 WeakPolarHBondContact O-CG 3.48Å; E30-Q34 PolarHBondContact O-N 2.9Å; E31-Q34 PolarHBondContact O-N 2.95Å; Q34-R38 WeakPolarHBondContact O-CG 3.49Å; Q34-R38 PolarHBondContact O-N 3.45Å
35	Q	82.6	Confident	80.8	Confident	110 Å²	110	112.4 Å²	112.4	51%	0.514	54%	0.537	S	S	.	.	H	α-helix	trans	-67.9	-38.5	176.7	-63.2	-55.1	-22	0	0	111.8	E31 I32 R38 L39	E31-Q35 VanDerWaalsContact O-CG 3.3Å; E31-Q35 WeakPolarHBondContact O-CG 3.21Å; E31-Q35 PolarHBondContact O-N 2.87Å; I32-Q35 PolarHBondContact O-N 3.35Å; Q35-R38 PolarHBondContact O-N 2.63Å; Q35-L39 WeakPolarHBondContact O-CB 3.47Å; Q35-L39 PolarHBondContact O-N 2.9Å
36	Y	83.7	Confident	80.6	Confident	145 Å²	145	114.2 Å²	114.2	57%	0.569	55%	0.545	S	S	*	.	H	α-helix	trans	-62.9	-45.5	175.5	-177	-93	0	0	0	111.7	I32 V33 R38 L39 L40	I32-Y36 VanDerWaalsContact O-CB 3.27Å; I32-Y36 WeakPolarHBondContact O-CB 3.5Å; I32-Y36 PolarHBondContact O-N 2.83Å; V33-Y36 PolarHBondContact O-N 2.53Å; Y36-R38 PolarHBondContact O-N 3.3Å; Y36-L39 WeakPolarHBondContact O-CB 3.25Å; Y36-L39 PolarHBondContact O-N 3.5Å; Y36-L39 VanDerWaalsContact O-N 3.14Å; Y36-L40 WeakPolarHBondContact O-CB 3.34Å; Y36-L40 PolarHBondContact O-N 2.97Å
37	N	81.1	Confident	80.4	Confident	76 Å²	76	108 Å²	108	41%	0.406	53%	0.534	S	S	.	.	H	α-helix	trans	-63	-41.1	176.4	-72.6	-20.7	0	0	0	111.9	V33 L39 L40 E41	V33-N37 WeakPolarHBondContact O-CB 3.41Å; V33-N37 VanDerWaalsContact O-CG 3.3Å; V33-N37 PolarHBondContact O-N 3.39Å; V33-N37 PolarHBondContact O-ND2 3.1Å; N37-L39 VanDerWaalsContact C-N 3.3Å; N37-L39 PolarHBondContact O-N 3.2Å; N37-L40 PolarHBondContact O-N 2.99Å; N37-E41 WeakPolarHBondContact O-CG 3.41Å; N37-E41 PolarHBondContact O-N 3.23Å
38	R	81.4	Confident	80.3	Confident	137 Å²	137	105.4 Å²	105.4	52%	0.517	53%	0.528	S	S	.	.	H	α-helix	trans	-62.6	-36.4	172.9	-77	179.3	179.1	166.9	1.8	112.7	Q34 Q35 Y36 K42	Q34-R38 WeakPolarHBondContact O-CG 3.49Å; Q34-R38 PolarHBondContact O-N 3.45Å; Q35-R38 PolarHBondContact O-N 2.63Å; Y36-R38 PolarHBondContact O-N 3.3Å; R38-K42 WeakPolarHBondContact O-CB 3.36Å; R38-K42 WeakPolarHBondContact O-CG 3.12Å; R38-K42 PolarHBondContact O-N 2.92Å; R38-K42 VanDerWaalsContact O-N 3.07Å
39	L	81.8	Confident	80.2	Confident	119 Å²	119	106 Å²	106	62%	0.623	53%	0.527	S	S	*	.	H	α-helix	trans	-69.4	-40.7	176.3	-168.8	76	0	0	0	110.9	Q35 Y36 N37 K42 S43	Q35-L39 WeakPolarHBondContact O-CB 3.47Å; Q35-L39 PolarHBondContact O-N 2.9Å; Y36-L39 WeakPolarHBondContact O-CB 3.25Å; Y36-L39 PolarHBondContact O-N 3.5Å; Y36-L39 VanDerWaalsContact O-N 3.14Å; N37-L39 VanDerWaalsContact C-N 3.3Å; N37-L39 PolarHBondContact O-N 3.2Å; L39-K42 PolarHBondContact O-N 2.86Å; L39-S43 WeakPolarHBondContact O-CB 3.4Å; L39-S43 PolarHBondContact O-N 2.89Å
40	L	83.9	Confident	79.8	Confident	76 Å²	76	103.6 Å²	103.6	40%	0.398	52%	0.522	S	S	.	.	H	α-helix	trans	-62.6	-48.2	175.9	-168.8	69.8	0	0	0	110.9	Y36 N37 K42 S43 D44	Y36-L40 WeakPolarHBondContact O-CB 3.34Å; Y36-L40 PolarHBondContact O-N 2.97Å; N37-L40 PolarHBondContact O-N 2.99Å; L40-K42 VanDerWaalsContact C-N 3.3Å; L40-K42 PolarHBondContact O-N 3.08Å; L40-S43 WeakPolarHBondContact O-CB 3.32Å; L40-S43 PolarHBondContact O-N 3.12Å; L40-S43 VanDerWaalsContact O-N 3.08Å; L40-D44 PolarHBondContact O-N 3.23Å
41	E	80.4	Confident	79.4	Confident	125 Å²	125	105.3 Å²	105.3	58%	0.584	53%	0.53	S	S	*	.	H	α-helix	trans	-57.5	-41.8	174.5	-74.9	173.3	-176.6	0	0	112	N37 D44 L45	N37-E41 WeakPolarHBondContact O-CG 3.41Å; N37-E41 PolarHBondContact O-N 3.23Å; E41-D44 PolarHBondContact O-N 2.94Å; E41-L45 WeakPolarHBondContact O-CB 3.19Å; E41-L45 PolarHBondContact O-N 2.88Å
42	K	80.4	Confident	79	Confident	148 Å²	148	106.7 Å²	106.7	64%	0.643	53%	0.529	S	S	*	.	H	α-helix	trans	-67.3	-37.8	175.2	-77.8	-177.7	178.7	-175.8	0	112.7	R38 L39 L40 L45 Q46	R38-K42 WeakPolarHBondContact O-CB 3.36Å; R38-K42 WeakPolarHBondContact O-CG 3.12Å; R38-K42 PolarHBondContact O-N 2.92Å; R38-K42 VanDerWaalsContact O-N 3.07Å; L39-K42 PolarHBondContact O-N 2.86Å; L40-K42 VanDerWaalsContact C-N 3.3Å; L40-K42 PolarHBondContact O-N 3.08Å; K42-L45 PolarHBondContact O-N 3.33Å; K42-Q46 WeakPolarHBondContact O-CB 3.39Å; K42-Q46 PolarHBondContact O-N 2.95Å
43	S	79.7	Confident	78.4	Confident	70 Å²	70	108.8 Å²	108.8	49%	0.49	53%	0.531	S	S	.	.	H	α-helix	trans	-64.8	-43.3	175.8	-177.8	0	0	0	0	111.1	L39 L40 Q46 A47	L39-S43 WeakPolarHBondContact O-CB 3.4Å; L39-S43 PolarHBondContact O-N 2.89Å; L40-S43 WeakPolarHBondContact O-CB 3.32Å; L40-S43 PolarHBondContact O-N 3.12Å; L40-S43 VanDerWaalsContact O-N 3.08Å; S43-Q46 PolarHBondContact O-N 2.7Å; S43-A47 PolarHBondContact O-N 2.91Å
44	D	79.4	Confident	77.7	Confident	93 Å²	93	110.6 Å²	110.6	50%	0.497	53%	0.534	S	S	.	.	H	α-helix	trans	-65.2	-43.3	176.6	-68.4	-16.2	0	0	0	110.9	L40 E41 Q46 A47 V48	L40-D44 PolarHBondContact O-N 3.23Å; E41-D44 PolarHBondContact O-N 2.94Å; D44-Q46 VanDerWaalsContact C-N 3.29Å; D44-Q46 PolarHBondContact O-N 3.23Å; D44-A47 PolarHBondContact O-N 2.82Å; D44-V48 WeakPolarHBondContact O-CG2 3.33Å; D44-V48 PolarHBondContact O-N 3Å
45	L	75.8	Confident	76.9	Confident	108 Å²	108	110.6 Å²	110.6	57%	0.565	54%	0.536	S	S	*	.	H	α-helix	trans	-57.8	-41.8	171.3	-103.5	143.3	0	0	0	112	E41 K42 V48 L49	E41-L45 WeakPolarHBondContact O-CB 3.19Å; E41-L45 PolarHBondContact O-N 2.88Å; K42-L45 PolarHBondContact O-N 3.33Å; L45-V48 PolarHBondContact O-N 2.83Å; L45-L49 WeakPolarHBondContact O-CB 3.27Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.26Å; L45-L49 PolarHBondContact O-N 2.86Å
46	Q	75.9	Confident	75.7	Confident	137 Å²	137	111.4 Å²	111.4	64%	0.64	54%	0.54	S	S	*	.	H	α-helix	trans	-69.6	-36.4	178.4	-174.3	145.9	-11.8	0	0	112.3	K42 S43 D44 L49 T50	K42-Q46 WeakPolarHBondContact O-CB 3.39Å; K42-Q46 PolarHBondContact O-N 2.95Å; S43-Q46 PolarHBondContact O-N 2.7Å; D44-Q46 VanDerWaalsContact C-N 3.29Å; D44-Q46 PolarHBondContact O-N 3.23Å; Q46-L49 PolarHBondContact O-N 2.96Å; Q46-T50 WeakPolarHBondContact O-CB 3.38Å; Q46-T50 PolarHBondContact O-N 3.29Å; Q46-T50 PolarHBondContact O-OG1 2.78Å
47	A	77.5	Confident	74.4	Confident	58 Å²	58	110.3 Å²	110.3	48%	0.479	54%	0.538	S	S	.	.	H	α-helix	trans	-61.3	-46.7	172.4	0	0	0	0	0	111	S43 D44 L49 T50 E51	S43-A47 PolarHBondContact O-N 2.91Å; D44-A47 PolarHBondContact O-N 2.82Å; A47-L49 PolarHBondContact O-N 3.46Å; A47-T50 PolarHBondContact O-N 3.11Å; A47-E51 WeakPolarHBondContact O-CB 3.5Å; A47-E51 PolarHBondContact O-N 2.97Å
48	V	78.1	Confident	73.1	Confident	80 Å²	80	115.1 Å²	115.1	49%	0.485	55%	0.552	S	S	.	*	H	α-helix	trans	-63.5	-41.2	177.3	173	0	0	0	0	112.1	D44 L45 T50 E51 R52	D44-V48 WeakPolarHBondContact O-CG2 3.33Å; D44-V48 PolarHBondContact O-N 3Å; L45-V48 PolarHBondContact O-N 2.83Å; V48-T50 VanDerWaalsContact C-N 3.35Å; V48-E51 PolarHBondContact O-N 3.35Å; V48-R52 PolarHBondContact O-N 2.82Å
49	L	73.4	Confident	71.7	Confident	103 Å²	103	113.6 Å²	113.6	54%	0.539	55%	0.554	S	S	.	*	H	α-helix	trans	-67.2	-36.8	176.1	-73.3	170.8	0	0	0	111.9	L45 Q46 A47 R52 Y53	L45-L49 WeakPolarHBondContact O-CB 3.27Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.26Å; L45-L49 PolarHBondContact O-N 2.86Å; Q46-L49 PolarHBondContact O-N 2.96Å; A47-L49 PolarHBondContact O-N 3.46Å; L49-R52 PolarHBondContact O-N 3.01Å; L49-Y53 WeakPolarHBondContact O-CB 3.41Å; L49-Y53 PolarHBondContact O-N 2.81Å
50	T	74.1	Confident	70.5	Confident	66 Å²	66	112.4 Å²	112.4	41%	0.405	55%	0.552	S	S	.	*	H	α-helix	trans	-67.6	-40.5	176.4	-54.6	0	0	0	0	111	Q46 A47 V48 Y53 Q54	Q46-T50 WeakPolarHBondContact O-CB 3.38Å; Q46-T50 PolarHBondContact O-N 3.29Å; Q46-T50 PolarHBondContact O-OG1 2.78Å; A47-T50 PolarHBondContact O-N 3.11Å; V48-T50 VanDerWaalsContact C-N 3.35Å; T50-Y53 PolarHBondContact O-N 2.89Å; T50-Q54 WeakPolarHBondContact O-CG 3.28Å; T50-Q54 PolarHBondContact O-N 2.85Å
51	E	73.9	Confident	68.9	Low	124 Å²	124	114.8 Å²	114.8	58%	0.579	56%	0.561	S	S	*	*	H	α-helix	trans	-65.7	-44	175.2	-163.9	174.8	-160.8	0	0	111.2	A47 V48 Y53 Q54 I55	A47-E51 WeakPolarHBondContact O-CB 3.5Å; A47-E51 PolarHBondContact O-N 2.97Å; V48-E51 PolarHBondContact O-N 3.35Å; E51-Y53 PolarHBondContact O-N 3.07Å; E51-Q54 PolarHBondContact O-N 3.23Å; E51-I55 HydrophobicContact CG-CD1 4.4Å; E51-I55 VanDerWaalsContact O-CG1 3.29Å; E51-I55 WeakPolarHBondContact O-CG1 3.46Å; E51-I55 PolarHBondContact O-N 3.43Å
52	R	72.1	Confident	67.3	Low	181 Å²	181	119.3 Å²	119.3	68%	0.683	57%	0.572	S	S	*	*	H	α-helix	trans	-57.7	-46.2	171.1	-95.6	-165.4	-176.9	-169	2.4	112.6	V48 L49 Q54 I55 E56	V48-R52 PolarHBondContact O-N 2.82Å; L49-R52 PolarHBondContact O-N 3.01Å; R52-Q54 VanDerWaalsContact C-N 3.3Å; R52-Q54 PolarHBondContact O-N 2.97Å; R52-I55 PolarHBondContact O-N 2.83Å; R52-E56 WeakPolarHBondContact O-CB 3.45Å; R52-E56 PolarHBondContact O-N 3.46Å
53	Y	70.3	Confident	65.7	Low	152 Å²	152	114.8 Å²	114.8	60%	0.596	57%	0.568	S	S	*	*	H	α-helix	trans	-64.6	-35.6	179.5	-176.5	-101.9	0	0	0	112.1	L49 T50 E51 K57	L49-Y53 WeakPolarHBondContact O-CB 3.41Å; L49-Y53 PolarHBondContact O-N 2.81Å; T50-Y53 PolarHBondContact O-N 2.89Å; E51-Y53 PolarHBondContact O-N 3.07Å; Y53-K57 VanDerWaalsContact O-CB 3.29Å; Y53-K57 WeakPolarHBondContact O-CB 3.44Å; Y53-K57 PolarHBondContact O-N 3.48Å
54	Q	66.1	Low	64.1	Low	118 Å²	118	119.4 Å²	119.4	55%	0.551	58%	0.581	S	S	*	*	H	α-helix	trans	-67.9	-38.6	173.4	-75.7	177.7	2.5	0	0	112.4	T50 E51 R52 K57 Y58	T50-Q54 WeakPolarHBondContact O-CG 3.28Å; T50-Q54 PolarHBondContact O-N 2.85Å; E51-Q54 PolarHBondContact O-N 3.23Å; R52-Q54 VanDerWaalsContact C-N 3.3Å; R52-Q54 PolarHBondContact O-N 2.97Å; Q54-K57 PolarHBondContact O-N 3.41Å; Q54-Y58 PolarHBondContact O-N 3.2Å
55	I	63.6	Low	62.5	Low	96 Å²	96	124 Å²	124	49%	0.492	60%	0.6	S	S	.	*	H	α-helix	trans	-64.1	-45.6	173.4	-67.3	163.2	0	0	0	110.5	E51 R52 K57 Y58 D59	E51-I55 HydrophobicContact CG-CD1 4.4Å; E51-I55 VanDerWaalsContact O-CG1 3.29Å; E51-I55 WeakPolarHBondContact O-CG1 3.46Å; E51-I55 PolarHBondContact O-N 3.43Å; R52-I55 PolarHBondContact O-N 2.83Å; I55-K57 VanDerWaalsContact C-N 3.32Å; I55-K57 PolarHBondContact O-N 2.96Å; I55-Y58 WeakPolarHBondContact O-CB 3.47Å; I55-Y58 PolarHBondContact O-N 3.37Å; I55-Y58 VanDerWaalsContact O-N 3.1Å; I55-D59 PolarHBondContact O-N 2.9Å
56	E	56.6	Low	60.9	Low	127 Å²	127	123.1 Å²	123.1	59%	0.593	61%	0.608	S	S	*	*	H	α-helix	trans	-64.4	-36.4	178.9	-149.6	169.5	-148.8	0	0	111.5	R52 D59 V60	R52-E56 WeakPolarHBondContact O-CB 3.45Å; R52-E56 PolarHBondContact O-N 3.46Å; E56-D59 PolarHBondContact O-N 2.91Å; E56-V60 VanDerWaalsContact O-CG2 3.24Å; E56-V60 WeakPolarHBondContact O-CG2 3.44Å; E56-V60 PolarHBondContact O-N 3.39Å
57	K	56.8	Low	59.3	Low	122 Å²	122	122.1 Å²	122.1	53%	0.53	62%	0.616	S	S	.	*	H	α-helix	trans	-67.8	-35.2	172.3	-166.9	-179.8	-179.4	-177.1	0	112.7	Y53 Q54 I55 Q61	Y53-K57 VanDerWaalsContact O-CB 3.29Å; Y53-K57 WeakPolarHBondContact O-CB 3.44Å; Y53-K57 PolarHBondContact O-N 3.48Å; Q54-K57 PolarHBondContact O-N 3.41Å; I55-K57 VanDerWaalsContact C-N 3.32Å; I55-K57 PolarHBondContact O-N 2.96Å; K57-Q61 WeakPolarHBondContact O-CG 3.37Å; K57-Q61 PolarHBondContact O-N 2.86Å; K57-Q61 VanDerWaalsContact O-N 3.13Å
58	Y	54.2	Low	58	Low	177 Å²	177	123.8 Å²	123.8	69%	0.694	62%	0.624	S	S	*	*	H	α-helix	trans	-70.6	-37.3	174.2	-114.7	-85.8	0	0	0	112.1	Q54 I55 Q61 R62	Q54-Y58 PolarHBondContact O-N 3.2Å; I55-Y58 WeakPolarHBondContact O-CB 3.47Å; I55-Y58 PolarHBondContact O-N 3.37Å; I55-Y58 VanDerWaalsContact O-N 3.1Å; Y58-Q61 PolarHBondContact O-N 2.93Å; Y58-R62 PolarHBondContact O-N 3.49Å; Y58-R62 VanDerWaalsContact O-N 3.08Å
59	D	52.7	Low	56.6	Low	105 Å²	105	128 Å²	128	56%	0.561	64%	0.643	S	S	*	*	H	α-helix	trans	-69.2	-37.6	175.1	-85	-21.6	0	0	0	112.2	I55 E56 Q61 R62 G63	I55-D59 PolarHBondContact O-N 2.9Å; E56-D59 PolarHBondContact O-N 2.91Å; D59-Q61 VanDerWaalsContact C-N 3.32Å; D59-Q61 PolarHBondContact O-N 3.05Å; D59-R62 PolarHBondContact O-N 2.8Å; D59-G63 PolarHBondContact O-N 3.34Å; D59-G63 VanDerWaalsContact O-N 3.1Å
60	V	54.9	Low	55.1	Low	95 Å²	95	128 Å²	128	58%	0.576	64%	0.643	S	S	*	*	H	α-helix	trans	-66.5	-33.3	172.6	171.8	0	0	0	0	111.7	E56 G63	E56-V60 VanDerWaalsContact O-CG2 3.24Å; E56-V60 WeakPolarHBondContact O-CG2 3.44Å; E56-V60 PolarHBondContact O-N 3.39Å; V60-G63 PolarHBondContact O-N 2.99Å
61	Q	50.7	Low	53.9	Low	126 Å²	126	128.7 Å²	128.7	59%	0.589	66%	0.656	S	S	*	*	H	α-helix	trans	-72.9	-25.7	173.8	-78.6	174.8	-22.2	0	0	113.4	K57 Y58 D59	K57-Q61 WeakPolarHBondContact O-CG 3.37Å; K57-Q61 PolarHBondContact O-N 2.86Å; K57-Q61 VanDerWaalsContact O-N 3.13Å; Y58-Q61 PolarHBondContact O-N 2.93Å; D59-Q61 VanDerWaalsContact C-N 3.32Å; D59-Q61 PolarHBondContact O-N 3.05Å
62	R	46.7	Very low	52.8	Low	219 Å²	219	127.1 Å²	127.1	83%	0.826	66%	0.659	S	S	*	*	H	α-helix	trans	-78.5	-22.3	171	-113.3	-175.8	-174.4	-179.2	2.6	113.7	Y58 D59 H64	Y58-R62 PolarHBondContact O-N 3.49Å; Y58-R62 VanDerWaalsContact O-N 3.08Å; D59-R62 PolarHBondContact O-N 2.8Å; R62-H64 VanDerWaalsContact C-N 3.3Å; R62-H64 PolarHBondContact O-N 2.76Å
63	G	48.4	Very low	51.8	Low	53 Å²	53	127.1 Å²	127.1	55%	0.546	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	1.8	177.8	0	0	0	0	0	115.4	D59 V60	D59-G63 PolarHBondContact O-N 3.34Å; D59-G63 VanDerWaalsContact O-N 3.1Å; V60-G63 PolarHBondContact O-N 2.99Å
64	H	45.4	Very low	51	Low	167 Å²	167	122.4 Å²	122.4	77%	0.773	65%	0.648	S	S	*	*			trans	-100.1	41.2	178.1	-90.8	11.9	0	0	0	113.4	R62	R62-H64 VanDerWaalsContact C-N 3.3Å; R62-H64 PolarHBondContact O-N 2.76Å
65	E	46.3	Very low	50.5	Low	191 Å²	191	122.1 Å²	122.1	89%	0.893	65%	0.65	S	S	*	*	S	Bend	trans	-131.8	66.8	155.8	-76.4	-168	169.5	0	0	109.9
66	A	41.4	Very low	50.3	Low	89 Å²	89	120.7 Å²	120.7	74%	0.736	65%	0.649	S	S	*	*	S	Bend	trans	-166.7	113.5	155.6	0	0	0	0	0	112.4
67	S	42.3	Very low	50.6	Low	116 Å²	116	119.5 Å²	119.5	81%	0.811	65%	0.646	S	S	*	*			trans	65.4	124.3	140	-162.8	0	0	0	0	121.1
68	S	50.9	Low	50.8	Low	93 Å²	93	119 Å²	119	65%	0.65	65%	0.646	S	S	*	*			trans	-53.4	162.5	158.9	57.9	0	0	0	0	115.5
69	L	48.8	Very low	51.5	Low	168 Å²	168	116.6 Å²	116.6	88%	0.88	64%	0.641	S	S	*	*			trans	102.8	99.1	162.9	-66	141.7	0	0	0	114.4
70	D	40.9	Very low	52.4	Low	102 Å²	102	117.4 Å²	117.4	55%	0.545	64%	0.641	S	S	.	*				174.7	111.4	118.4	-157.9	-4.2	0	0	0	110.6	S72 S74	D70-S72 VanDerWaalsContact C-N 3.34Å; D70-S72 PolarHBondContact O-N 2.95Å; D70-S74 PolarHBondContact O-N 2.94Å
71	A	49.6	Very low	53	Low	82 Å²	82	117.9 Å²	117.9	68%	0.678	64%	0.638	S	S	*	*	H	α-helix	trans	-73.3	-20.1	-171.1	0	0	0	0	0	114
72	S	50.8	Low	54	Low	91 Å²	91	114.1 Å²	114.1	64%	0.636	63%	0.626	S	S	*	*	H	α-helix	trans	-87.3	-30.1	-178.5	74.7	0	0	0	0	114.1	D70	D70-S72 VanDerWaalsContact C-N 3.34Å; D70-S72 PolarHBondContact O-N 2.95Å
73	R	51.5	Low	55.4	Low	181 Å²	181	108.5 Å²	108.5	68%	0.683	61%	0.609	S	S	*	*	H	α-helix	trans	-77.2	-27.7	169.7	-95	176.9	160.8	179.1	-5	112.5	D75 S76 L77	R73-D75 VanDerWaalsContact C-N 3.33Å; R73-S76 PolarHBondContact O-OG 3.09Å; R73-S76 VanDerWaalsContact O-OG 3.1Å; R73-L77 WeakPolarHBondContact O-CB 3.29Å; R73-L77 PolarHBondContact O-N 3.34Å; R73-L77 VanDerWaalsContact O-N 3.1Å
74	S	53.1	Low	56.6	Low	52 Å²	52	109.8 Å²	109.8	36%	0.364	60%	0.602	S	S	.	*	H	α-helix	trans	-63.2	-37.6	176	-172.1	0	0	0	0	112.3	D70 H78	D70-S74 PolarHBondContact O-N 2.94Å; S74-H78 WeakPolarHBondContact O-CB 3.33Å; S74-H78 PolarHBondContact O-N 3.49Å
75	D	55.1	Low	58	Low	112 Å²	112	109.1 Å²	109.1	60%	0.599	59%	0.593	S	S	*	*	H	α-helix	trans	-73	-38.9	179.5	-89.2	-11.2	0	0	0	112.7	R73 H78 Q79	R73-D75 VanDerWaalsContact C-N 3.33Å; D75-H78 PolarHBondContact O-N 3.45Å; D75-Q79 VanDerWaalsContact O-CB 3.3Å; D75-Q79 WeakPolarHBondContact O-CB 3.43Å; D75-Q79 PolarHBondContact O-N 3.21Å
76	S	59.3	Low	59.6	Low	67 Å²	67	104.7 Å²	104.7	47%	0.469	57%	0.574	S	S	.	*	H	α-helix	trans	-67.2	-42.2	175.1	68.8	0	0	0	0	111.8	R73 Q79 E80	R73-S76 PolarHBondContact O-OG 3.09Å; R73-S76 VanDerWaalsContact O-OG 3.1Å; S76-Q79 PolarHBondContact O-N 2.87Å; S76-E80 WeakPolarHBondContact O-CB 3.39Å; S76-E80 PolarHBondContact O-N 2.94Å
77	L	63.4	Low	61.3	Low	102 Å²	102	107 Å²	107	53%	0.534	56%	0.563	S	S	.	*	H	α-helix	trans	-65.2	-37.6	173.2	-87.3	156.2	0	0	0	112	R73 M81	R73-L77 WeakPolarHBondContact O-CB 3.29Å; R73-L77 PolarHBondContact O-N 3.34Å; R73-L77 VanDerWaalsContact O-N 3.1Å; L77-M81 WeakPolarHBondContact O-CB 3.42Å; L77-M81 VanDerWaalsContact O-CG 3.25Å; L77-M81 WeakPolarHBondContact O-CG 3.43Å; L77-M81 PolarHBondContact O-N 3.26Å
78	H	61.2	Low	63.1	Low	111 Å²	111	106.6 Å²	106.6	51%	0.514	55%	0.549	S	S	.	.	H	α-helix	trans	-67.6	-38.3	174.2	-92.5	-28.1	0	0	0	112.5	S74 D75 S82	S74-H78 WeakPolarHBondContact O-CB 3.33Å; S74-H78 PolarHBondContact O-N 3.49Å; D75-H78 PolarHBondContact O-N 3.45Å; H78-S82 WeakPolarHBondContact O-CB 3.39Å; H78-S82 PolarHBondContact O-N 2.86Å
79	Q	67.7	Low	64.5	Low	126 Å²	126	107.6 Å²	107.6	59%	0.589	54%	0.543	S	S	*	.	H	α-helix	trans	-69.6	-40.1	177.3	-165.6	152.8	14.2	0	0	111.4	D75 S76 S82 Q83	D75-Q79 VanDerWaalsContact O-CB 3.3Å; D75-Q79 WeakPolarHBondContact O-CB 3.43Å; D75-Q79 PolarHBondContact O-N 3.21Å; S76-Q79 PolarHBondContact O-N 2.87Å; Q79-S82 WeakPolarHBondContact CA-OG 3.39Å; Q79-S82 PolarHBondContact O-N 2.99Å; Q79-S82 PolarHBondContact O-OG 2.88Å; Q79-Q83 PolarHBondContact O-N 3.17Å
80	E	72	Confident	66.1	Low	123 Å²	123	105.1 Å²	105.1	58%	0.575	53%	0.527	S	S	*	.	H	α-helix	trans	-66.3	-42.9	174.1	-156.4	167.9	-153.1	0	0	111.5	S76 S82 Q83 M84	S76-E80 WeakPolarHBondContact O-CB 3.39Å; S76-E80 PolarHBondContact O-N 2.94Å; E80-S82 VanDerWaalsContact C-N 3.28Å; E80-S82 PolarHBondContact O-N 2.87Å; E80-Q83 PolarHBondContact O-N 3.4Å; E80-M84 WeakPolarHBondContact O-CB 3.23Å; E80-M84 WeakPolarHBondContact O-CG 3.4Å; E80-M84 PolarHBondContact O-N 3.32Å
81	M	67.8	Low	68.4	Low	105 Å²	105	105.8 Å²	105.8	52%	0.517	53%	0.527	S	S	.	.	H	α-helix	trans	-63.2	-29.6	170.7	-81.3	-73.2	-69.7	0	0	113.4	L77 R85	L77-M81 WeakPolarHBondContact O-CB 3.42Å; L77-M81 VanDerWaalsContact O-CG 3.25Å; L77-M81 WeakPolarHBondContact O-CG 3.43Å; L77-M81 PolarHBondContact O-N 3.26Å; M81-R85 WeakPolarHBondContact O-CB 3.29Å; M81-R85 WeakPolarHBondContact O-CG 3.48Å; M81-R85 PolarHBondContact O-N 2.97Å; M81-R85 VanDerWaalsContact O-N 3.14Å; M81-R85 PolarHBondContact O-NE 3.24Å
82	S	71.4	Confident	70	Confident	47 Å²	47	105.8 Å²	105.8	33%	0.329	52%	0.515	S	S	.	.	H	α-helix	trans	-73.4	-41.7	174.9	79.7	0	0	0	0	111.4	H78 Q79 E80 R85 I86	H78-S82 WeakPolarHBondContact O-CB 3.39Å; H78-S82 PolarHBondContact O-N 2.86Å; Q79-S82 WeakPolarHBondContact CA-OG 3.39Å; Q79-S82 PolarHBondContact O-N 2.99Å; Q79-S82 PolarHBondContact O-OG 2.88Å; E80-S82 VanDerWaalsContact C-N 3.28Å; E80-S82 PolarHBondContact O-N 2.87Å; S82-R85 PolarHBondContact O-N 2.91Å; S82-I86 WeakPolarHBondContact O-CG1 3.29Å; S82-I86 PolarHBondContact O-N 3Å
83	Q	75.2	Confident	71.6	Confident	101 Å²	101	105.1 Å²	105.1	47%	0.472	51%	0.507	S	S	.	.	H	α-helix	trans	-66.4	-40.6	175.3	-75.7	-176.2	-5	0	0	111.9	Q79 E80 R85 I86 R87	Q79-Q83 PolarHBondContact O-N 3.17Å; E80-Q83 PolarHBondContact O-N 3.4Å; Q83-R85 VanDerWaalsContact C-N 3.34Å; Q83-R85 PolarHBondContact O-N 3.37Å; Q83-I86 PolarHBondContact O-N 2.85Å; Q83-R87 PolarHBondContact O-N 2.78Å
84	M	75.3	Confident	73.3	Confident	80 Å²	80	102 Å²	102	39%	0.394	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-39.7	174.2	-73	-62.1	-69.6	0	0	111.9	E80 I86 R87 H88	E80-M84 WeakPolarHBondContact O-CB 3.23Å; E80-M84 WeakPolarHBondContact O-CG 3.4Å; E80-M84 PolarHBondContact O-N 3.32Å; M84-I86 VanDerWaalsContact C-N 3.35Å; M84-I86 PolarHBondContact O-N 2.95Å; M84-R87 PolarHBondContact O-N 3.45Å; M84-H88 WeakPolarHBondContact O-CB 3.36Å; M84-H88 PolarHBondContact O-CD2 3.45Å; M84-H88 PolarHBondContact O-N 2.89Å
85	R	73.6	Confident	74.9	Confident	153 Å²	153	104.8 Å²	104.8	58%	0.577	51%	0.511	S	S	*	.	H	α-helix	trans	-62.3	-40.1	173.3	-88	-176.5	-82.5	-145.6	1.4	112.9	M81 S82 Q83 Q89	M81-R85 WeakPolarHBondContact O-CB 3.29Å; M81-R85 WeakPolarHBondContact O-CG 3.48Å; M81-R85 PolarHBondContact O-N 2.97Å; M81-R85 VanDerWaalsContact O-N 3.14Å; M81-R85 PolarHBondContact O-NE 3.24Å; S82-R85 PolarHBondContact O-N 2.91Å; Q83-R85 VanDerWaalsContact C-N 3.34Å; Q83-R85 PolarHBondContact O-N 3.37Å; R85-Q89 WeakPolarHBondContact O-CB 3.33Å; R85-Q89 PolarHBondContact O-N 2.84Å
86	I	80.2	Confident	76.5	Confident	97 Å²	97	103.9 Å²	103.9	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-65.5	-46.2	176.6	-67.1	164.7	0	0	0	110.3	S82 Q83 M84 H88 Q89 E90	S82-I86 WeakPolarHBondContact O-CG1 3.29Å; S82-I86 PolarHBondContact O-N 3Å; Q83-I86 PolarHBondContact O-N 2.85Å; M84-I86 VanDerWaalsContact C-N 3.35Å; M84-I86 PolarHBondContact O-N 2.95Å; I86-H88 PolarHBondContact O-N 3.08Å; I86-Q89 WeakPolarHBondContact O-CB 3.4Å; I86-Q89 PolarHBondContact O-N 3.2Å; I86-Q89 VanDerWaalsContact O-N 3.1Å; I86-E90 HydrophobicContact CG2-CG 4.44Å; I86-E90 WeakPolarHBondContact O-CG 3.43Å; I86-E90 PolarHBondContact O-N 3.3Å
87	R	78.1	Confident	78	Confident	137 Å²	137	107.4 Å²	107.4	52%	0.517	51%	0.51	S	S	.	.	H	α-helix	trans	-59.6	-44.8	176.2	-73.9	-174.9	-167.9	161.9	6	112.6	Q83 M84 Q89 E90 E91	Q83-R87 PolarHBondContact O-N 2.78Å; M84-R87 PolarHBondContact O-N 3.45Å; R87-Q89 VanDerWaalsContact C-N 3.26Å; R87-Q89 PolarHBondContact O-N 2.79Å; R87-E90 WeakPolarHBondContact O-CB 3.39Å; R87-E90 PolarHBondContact O-N 3.35Å; R87-E91 WeakPolarHBondContact O-CG 3.41Å; R87-E91 PolarHBondContact O-N 3.04Å
88	H	80.1	Confident	79.3	Confident	109 Å²	109	107.7 Å²	107.7	51%	0.505	51%	0.506	S	S	.	.	H	α-helix	trans	-64	-34.2	177	-76.2	-138.6	0	0	0	111.5	M84 I86 L92	M84-H88 WeakPolarHBondContact O-CB 3.36Å; M84-H88 PolarHBondContact O-CD2 3.45Å; M84-H88 PolarHBondContact O-N 2.89Å; I86-H88 PolarHBondContact O-N 3.08Å; H88-L92 VanDerWaalsContact O-CB 3.29Å; H88-L92 WeakPolarHBondContact O-CB 3.47Å; H88-L92 PolarHBondContact O-N 3.22Å
89	Q	79.2	Confident	80.6	Confident	114 Å²	114	110.4 Å²	110.4	53%	0.533	51%	0.512	S	S	.	.	H	α-helix	trans	-69.7	-38.5	174.7	-169.4	65	28.5	0	0	112	R85 I86 R87 L92 T93	R85-Q89 WeakPolarHBondContact O-CB 3.33Å; R85-Q89 PolarHBondContact O-N 2.84Å; I86-Q89 WeakPolarHBondContact O-CB 3.4Å; I86-Q89 PolarHBondContact O-N 3.2Å; I86-Q89 VanDerWaalsContact O-N 3.1Å; R87-Q89 VanDerWaalsContact C-N 3.26Å; R87-Q89 PolarHBondContact O-N 2.79Å; Q89-L92 PolarHBondContact O-N 2.83Å; Q89-T93 WeakPolarHBondContact O-CG2 3.2Å; Q89-T93 PolarHBondContact O-N 2.86Å; Q89-T93 PolarHBondContact O-OG1 3.28Å; Q89-T93 VanDerWaalsContact O-OG1 3.07Å
90	E	83.8	Confident	81.6	Confident	116 Å²	116	106.3 Å²	106.3	54%	0.542	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-46.1	173.3	-72.5	172.3	171.1	0	0	111.3	I86 R87 L92 T93 E94	I86-E90 HydrophobicContact CG2-CG 4.44Å; I86-E90 WeakPolarHBondContact O-CG 3.43Å; I86-E90 PolarHBondContact O-N 3.3Å; R87-E90 WeakPolarHBondContact O-CB 3.39Å; R87-E90 PolarHBondContact O-N 3.35Å; E90-L92 VanDerWaalsContact C-N 3.33Å; E90-L92 PolarHBondContact O-N 3.09Å; E90-T93 WeakPolarHBondContact CA-OG1 3.23Å; E90-T93 PolarHBondContact O-N 3.46Å; E90-T93 PolarHBondContact O-OG1 2.79Å; E90-E94 PolarHBondContact O-N 3.27Å
91	E	87.6	Confident	82.6	Confident	115 Å²	115	105.4 Å²	105.4	54%	0.537	50%	0.499	S	S	.	.	H	α-helix	trans	-61.1	-40.9	174.4	-73.5	177.3	-177.8	0	0	112	R87 T93 E94 L95	R87-E91 WeakPolarHBondContact O-CG 3.41Å; R87-E91 PolarHBondContact O-N 3.04Å; E91-T93 VanDerWaalsContact C-N 3.34Å; E91-T93 PolarHBondContact O-N 3.4Å; E91-E94 PolarHBondContact O-N 3Å; E91-L95 WeakPolarHBondContact O-CB 3.24Å; E91-L95 VanDerWaalsContact O-CG 3.31Å; E91-L95 WeakPolarHBondContact O-CG 3.4Å; E91-L95 PolarHBondContact O-N 3.12Å
92	L	83	Confident	83.7	Confident	83 Å²	83	106 Å²	106	44%	0.435	50%	0.504	S	S	.	.	H	α-helix	trans	-65	-39.4	177.4	-165.7	72.9	0	0	0	111.6	H88 Q89 E90 L95 H96	H88-L92 VanDerWaalsContact O-CB 3.29Å; H88-L92 WeakPolarHBondContact O-CB 3.47Å; H88-L92 PolarHBondContact O-N 3.22Å; Q89-L92 PolarHBondContact O-N 2.83Å; E90-L92 VanDerWaalsContact C-N 3.33Å; E90-L92 PolarHBondContact O-N 3.09Å; L92-L95 PolarHBondContact O-N 2.84Å; L92-H96 PolarHBondContact O-CD2 3.05Å; L92-H96 PolarHBondContact O-N 2.79Å
93	T	84.8	Confident	84.7	Confident	76 Å²	76	106.3 Å²	106.3	47%	0.466	51%	0.509	S	S	.	.	H	α-helix	trans	-69.9	-39	176.5	50.7	0	0	0	0	112.2	Q89 E90 E91 H96 K97	Q89-T93 WeakPolarHBondContact O-CG2 3.2Å; Q89-T93 PolarHBondContact O-N 2.86Å; Q89-T93 PolarHBondContact O-OG1 3.28Å; Q89-T93 VanDerWaalsContact O-OG1 3.07Å; E90-T93 WeakPolarHBondContact CA-OG1 3.23Å; E90-T93 PolarHBondContact O-N 3.46Å; E90-T93 PolarHBondContact O-OG1 2.79Å; E91-T93 VanDerWaalsContact C-N 3.34Å; E91-T93 PolarHBondContact O-N 3.4Å; T93-H96 PolarHBondContact O-N 3.03Å; T93-K97 PolarHBondContact O-N 2.99Å
94	E	88.5	Confident	85.5	Confident	115 Å²	115	108 Å²	108	54%	0.537	52%	0.517	S	S	.	.	H	α-helix	trans	-61.5	-42.6	170.5	-89	-156.5	167.3	0	0	112.6	E90 E91 H96 K97 K98	E90-E94 PolarHBondContact O-N 3.27Å; E91-E94 PolarHBondContact O-N 3Å; E94-H96 VanDerWaalsContact C-N 3.34Å; E94-H96 PolarHBondContact O-N 3.06Å; E94-K97 WeakPolarHBondContact O-CB 3.48Å; E94-K97 PolarHBondContact O-N 3.43Å; E94-K98 WeakPolarHBondContact O-CG 3.44Å; E94-K98 PolarHBondContact O-N 3.42Å; E94-K98 IonicContact OE2-NZ 2.69Å; E94-K98 PolarHBondContact OE2-NZ 2.98Å
95	L	86.7	Confident	86.5	Confident	112 Å²	112	107.6 Å²	107.6	59%	0.586	52%	0.519	S	S	*	.	H	α-helix	trans	-63.3	-41	177.2	-78.3	170.2	0	0	0	111.4	E91 L92 K97 K98 R99	E91-L95 WeakPolarHBondContact O-CB 3.24Å; E91-L95 VanDerWaalsContact O-CG 3.31Å; E91-L95 WeakPolarHBondContact O-CG 3.4Å; E91-L95 PolarHBondContact O-N 3.12Å; L92-L95 PolarHBondContact O-N 2.84Å; L95-K97 VanDerWaalsContact C-N 3.34Å; L95-K98 PolarHBondContact O-N 2.84Å; L95-R99 VanDerWaalsContact O-CB 3.3Å; L95-R99 WeakPolarHBondContact O-CB 3.43Å; L95-R99 PolarHBondContact O-N 2.9Å
96	H	87.4	Confident	87.5	Confident	93 Å²	93	104.9 Å²	104.9	43%	0.431	52%	0.52	S	S	.	.	H	α-helix	trans	-63.9	-39.1	174.1	-79.4	-52.8	0	0	0	112.5	L92 T93 E94 R99 G100	L92-H96 PolarHBondContact O-CD2 3.05Å; L92-H96 PolarHBondContact O-N 2.79Å; T93-H96 PolarHBondContact O-N 3.03Å; E94-H96 VanDerWaalsContact C-N 3.34Å; E94-H96 PolarHBondContact O-N 3.06Å; H96-R99 PolarHBondContact O-N 2.85Å; H96-G100 PolarHBondContact O-N 3.33Å
97	K	91.7	Very high	88.2	Confident	141 Å²	141	105.2 Å²	105.2	61%	0.613	52%	0.521	S	S	*	.	H	α-helix	trans	-63.1	-50.8	174.9	-173.6	-178.2	175.2	-174.1	0	111.5	T93 E94 L95 R99 G100 E101	T93-K97 PolarHBondContact O-N 2.99Å; E94-K97 WeakPolarHBondContact O-CB 3.48Å; E94-K97 PolarHBondContact O-N 3.43Å; L95-K97 VanDerWaalsContact C-N 3.34Å; K97-R99 VanDerWaalsContact C-N 3.28Å; K97-R99 PolarHBondContact O-N 2.84Å; K97-G100 PolarHBondContact O-N 3.15Å; K97-E101 VanDerWaalsContact CE-OE1 3.29Å; K97-E101 WeakPolarHBondContact CE-OE1 3.38Å; K97-E101 WeakPolarHBondContact O-CG 3.25Å; K97-E101 PolarHBondContact O-N 2.51Å
98	K	90.3	Very high	89	Confident	108 Å²	108	104 Å²	104	47%	0.47	52%	0.521	S	S	.	.	H	α-helix	trans	-59.2	-38.4	176.1	-75.4	172.7	178.5	154.4	0	112.1	E94 L95 E101 L102	E94-K98 WeakPolarHBondContact O-CG 3.44Å; E94-K98 PolarHBondContact O-N 3.42Å; E94-K98 IonicContact OE2-NZ 2.69Å; E94-K98 PolarHBondContact OE2-NZ 2.98Å; L95-K98 PolarHBondContact O-N 2.84Å; K98-E101 PolarHBondContact O-N 3.1Å; K98-L102 WeakPolarHBondContact O-CB 2.98Å; K98-L102 WeakPolarHBondContact O-CG 3.43Å; K98-L102 PolarHBondContact O-N 2.86Å
99	R	88.3	Confident	89.7	Confident	168 Å²	168	103.4 Å²	103.4	63%	0.634	52%	0.522	S	S	*	.	H	α-helix	trans	-64.7	-39.8	174.9	-167.3	-177.1	76.5	-179.1	4.7	112	L95 H96 K97 A103	L95-R99 VanDerWaalsContact O-CB 3.3Å; L95-R99 WeakPolarHBondContact O-CB 3.43Å; L95-R99 PolarHBondContact O-N 2.9Å; H96-R99 PolarHBondContact O-N 2.85Å; K97-R99 VanDerWaalsContact C-N 3.28Å; K97-R99 PolarHBondContact O-N 2.84Å; R99-A103 WeakPolarHBondContact O-CB 3.49Å; R99-A103 PolarHBondContact O-N 3.43Å
100	G	89.8	Confident	90.4	Very high	39 Å²	39	102 Å²	102	40%	0.402	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-45.3	174.7	0	0	0	0	0	112.3	H96 K97 A103 Q104	H96-G100 PolarHBondContact O-N 3.33Å; K97-G100 PolarHBondContact O-N 3.15Å; G100-A103 PolarHBondContact O-N 2.95Å; G100-Q104 PolarHBondContact O-N 3.33Å
101	E	91.8	Very high	91	Very high	104 Å²	104	100.4 Å²	100.4	49%	0.486	51%	0.513	S	S	.	.	H	α-helix	trans	-60.8	-45.9	176.3	-69.8	168.9	-176.6	0	0	111.6	K97 K98 A103 Q104 T105	K97-E101 VanDerWaalsContact CE-OE1 3.29Å; K97-E101 WeakPolarHBondContact CE-OE1 3.38Å; K97-E101 WeakPolarHBondContact O-CG 3.25Å; K97-E101 PolarHBondContact O-N 2.51Å; K98-E101 PolarHBondContact O-N 3.1Å; E101-A103 PolarHBondContact O-N 2.96Å; E101-Q104 PolarHBondContact O-N 2.96Å; E101-T105 WeakPolarHBondContact O-CG2 3.44Å; E101-T105 PolarHBondContact O-N 3.42Å
102	L	91.1	Very high	91.3	Very high	117 Å²	117	99.6 Å²	99.6	61%	0.613	51%	0.509	S	S	*	.	H	α-helix	trans	-64.4	-37.6	175.5	-74.4	169.4	0	0	0	112.9	K98 Q104 T105 V106	K98-L102 WeakPolarHBondContact O-CB 2.98Å; K98-L102 WeakPolarHBondContact O-CG 3.43Å; K98-L102 PolarHBondContact O-N 2.86Å; L102-Q104 VanDerWaalsContact C-N 3.28Å; L102-Q104 PolarHBondContact O-N 3.34Å; L102-T105 WeakPolarHBondContact CA-OG1 3.5Å; L102-T105 PolarHBondContact O-N 2.88Å; L102-T105 PolarHBondContact O-OG1 2.84Å; L102-V106 VanDerWaalsContact O-CG2 3.28Å; L102-V106 WeakPolarHBondContact O-CG2 3.45Å; L102-V106 PolarHBondContact O-N 3.47Å; L102-V106 VanDerWaalsContact O-N 3.08Å
103	A	92.2	Very high	91.9	Very high	54 Å²	54	100.1 Å²	100.1	45%	0.446	51%	0.511	S	S	.	.	H	α-helix	trans	-64.3	-38	175.3	0	0	0	0	0	111.2	R99 G100 E101 V106 I107	R99-A103 WeakPolarHBondContact O-CB 3.49Å; R99-A103 PolarHBondContact O-N 3.43Å; G100-A103 PolarHBondContact O-N 2.95Å; E101-A103 PolarHBondContact O-N 2.96Å; A103-V106 PolarHBondContact O-N 2.88Å; A103-I107 WeakPolarHBondContact O-CG1 3.41Å; A103-I107 PolarHBondContact O-N 3.5Å; A103-I107 VanDerWaalsContact O-N 3.17Å
104	Q	92.6	Very high	92.5	Very high	137 Å²	137	100.8 Å²	100.8	64%	0.64	51%	0.509	S	S	*	.	H	α-helix	trans	-69.6	-40.4	178	-169.7	151.1	-6.9	0	0	112.3	G100 E101 L102 V106 I107 E108	G100-Q104 PolarHBondContact O-N 3.33Å; E101-Q104 PolarHBondContact O-N 2.96Å; L102-Q104 VanDerWaalsContact C-N 3.28Å; L102-Q104 PolarHBondContact O-N 3.34Å; Q104-V106 VanDerWaalsContact C-N 3.32Å; Q104-V106 PolarHBondContact O-N 3.24Å; Q104-I107 PolarHBondContact O-N 2.96Å; Q104-E108 PolarHBondContact O-N 3.09Å
105	T	95.1	Very high	92.8	Very high	71 Å²	71	100.3 Å²	100.3	44%	0.436	51%	0.507	S	S	.	.	H	α-helix	trans	-65.1	-35.1	174.9	57	0	0	0	0	112.4	E101 L102 E108 L109	E101-T105 WeakPolarHBondContact O-CG2 3.44Å; E101-T105 PolarHBondContact O-N 3.42Å; L102-T105 WeakPolarHBondContact CA-OG1 3.5Å; L102-T105 PolarHBondContact O-N 2.88Å; L102-T105 PolarHBondContact O-OG1 2.84Å; T105-E108 PolarHBondContact O-N 3.09Å; T105-L109 WeakPolarHBondContact O-CB 3.16Å; T105-L109 WeakPolarHBondContact O-CG 3.38Å; T105-L109 PolarHBondContact O-N 3.13Å
106	V	94.8	Very high	93.2	Very high	97 Å²	97	100.6 Å²	100.6	59%	0.588	50%	0.504	S	S	*	.	H	α-helix	trans	-63.2	-41.4	173.7	169.2	0	0	0	0	111.4	L102 A103 Q104 N110	L102-V106 VanDerWaalsContact O-CG2 3.28Å; L102-V106 WeakPolarHBondContact O-CG2 3.45Å; L102-V106 PolarHBondContact O-N 3.47Å; L102-V106 VanDerWaalsContact O-N 3.08Å; A103-V106 PolarHBondContact O-N 2.88Å; Q104-V106 VanDerWaalsContact C-N 3.32Å; Q104-V106 PolarHBondContact O-N 3.24Å; V106-N110 WeakPolarHBondContact O-CB 3.34Å; V106-N110 PolarHBondContact O-N 3.15Å
107	I	95.6	Very high	93.6	Very high	104 Å²	104	99.8 Å²	99.8	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-64.7	-45.2	176.5	-66.7	165	0	0	0	110.7	A103 Q104 N110 N111	A103-I107 WeakPolarHBondContact O-CG1 3.41Å; A103-I107 PolarHBondContact O-N 3.5Å; A103-I107 VanDerWaalsContact O-N 3.17Å; Q104-I107 PolarHBondContact O-N 2.96Å; I107-N110 PolarHBondContact O-N 3.42Å; I107-N111 PolarHBondContact O-N 2.89Å
108	E	94	Very high	93.8	Very high	111 Å²	111	100.6 Å²	100.6	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-57.9	-49.4	177	-168.2	85.4	-143.2	0	0	111.3	Q104 T105 N110 N111 Q112	Q104-E108 PolarHBondContact O-N 3.09Å; T105-E108 PolarHBondContact O-N 3.09Å; E108-N110 VanDerWaalsContact C-N 3.34Å; E108-N110 PolarHBondContact O-N 2.81Å; E108-N111 WeakPolarHBondContact O-CB 3.19Å; E108-N111 PolarHBondContact O-N 3.19Å; E108-Q112 WeakPolarHBondContact O-CG 3.45Å; E108-Q112 PolarHBondContact O-N 3.49Å
109	L	94.6	Very high	94.1	Very high	97 Å²	97	99 Å²	99	51%	0.508	50%	0.496	S	S	.	.	H	α-helix	trans	-62.8	-39.8	178	-75.3	168.2	0	0	0	111.9	T105 N111 Q112 I113	T105-L109 WeakPolarHBondContact O-CB 3.16Å; T105-L109 WeakPolarHBondContact O-CG 3.38Å; T105-L109 PolarHBondContact O-N 3.13Å; L109-N111 VanDerWaalsContact C-N 3.34Å; L109-N111 PolarHBondContact O-N 3.26Å; L109-Q112 PolarHBondContact O-N 3.35Å; L109-I113 WeakPolarHBondContact O-CG1 3.45Å; L109-I113 PolarHBondContact O-N 3.21Å
110	N	95.5	Very high	94.4	Very high	83 Å²	83	95.2 Å²	95.2	44%	0.444	49%	0.487	S	S	.	.	H	α-helix	trans	-64.7	-38.8	176.8	-167.7	42.5	0	0	0	111.9	V106 I107 E108 I113 Q114	V106-N110 WeakPolarHBondContact O-CB 3.34Å; V106-N110 PolarHBondContact O-N 3.15Å; I107-N110 PolarHBondContact O-N 3.42Å; E108-N110 VanDerWaalsContact C-N 3.34Å; E108-N110 PolarHBondContact O-N 2.81Å; N110-I113 PolarHBondContact O-N 3.15Å; N110-Q114 WeakPolarHBondContact O-CG 3.3Å; N110-Q114 PolarHBondContact O-N 3.16Å
111	N	94.9	Very high	94.7	Very high	84 Å²	84	99.3 Å²	99.3	45%	0.449	50%	0.496	S	S	.	.	H	α-helix	trans	-64.6	-40.4	173.9	-72.4	-22	0	0	0	111.8	I107 E108 L109 Q114 Q115	I107-N111 PolarHBondContact O-N 2.89Å; E108-N111 WeakPolarHBondContact O-CB 3.19Å; E108-N111 PolarHBondContact O-N 3.19Å; L109-N111 VanDerWaalsContact C-N 3.34Å; L109-N111 PolarHBondContact O-N 3.26Å; N111-Q114 PolarHBondContact O-N 3.24Å; N111-Q115 PolarHBondContact O-N 2.76Å
112	Q	95.4	Very high	94.9	Very high	97 Å²	97	97.6 Å²	97.6	45%	0.453	50%	0.495	S	S	.	.	H	α-helix	trans	-64	-41.2	175.5	-71	178.4	15	0	0	112	E108 L109 Q115 K116	E108-Q112 WeakPolarHBondContact O-CG 3.45Å; E108-Q112 PolarHBondContact O-N 3.49Å; L109-Q112 PolarHBondContact O-N 3.35Å; Q112-Q115 PolarHBondContact O-N 3.44Å; Q112-K116 WeakPolarHBondContact O-CG 3.49Å; Q112-K116 PolarHBondContact O-N 3.5Å
113	I	95.7	Very high	95	Very high	94 Å²	94	96.2 Å²	96.2	48%	0.482	49%	0.488	S	S	.	.	H	α-helix	trans	-59.9	-49.6	174.5	-70.6	167.2	0	0	0	110.1	L109 N110 Q115 K116 D117	L109-I113 WeakPolarHBondContact O-CG1 3.45Å; L109-I113 PolarHBondContact O-N 3.21Å; N110-I113 PolarHBondContact O-N 3.15Å; I113-Q115 VanDerWaalsContact C-N 3.25Å; I113-Q115 PolarHBondContact O-N 3.46Å; I113-K116 CarbonylContact O-C 3.47Å; I113-K116 PolarHBondContact O-N 3.12Å; I113-D117 PolarHBondContact O-N 3.12Å
114	Q	95.9	Very high	95.3	Very high	90 Å²	90	98.5 Å²	98.5	42%	0.421	49%	0.49	S	S	.	.	H	α-helix	trans	-62.5	-30.9	178.3	-72.2	-178.3	3.1	0	0	113.7	N110 N111 R118	N110-Q114 WeakPolarHBondContact O-CG 3.3Å; N110-Q114 PolarHBondContact O-N 3.16Å; N111-Q114 PolarHBondContact O-N 3.24Å; Q114-R118 WeakPolarHBondContact O-CG 3.44Å; Q114-R118 PolarHBondContact O-N 2.74Å; Q114-R118 PolarHBondContact O-NE 2.91Å; Q114-R118 VanDerWaalsContact O-NE 3.14Å
115	Q	95	Very high	95.4	Very high	106 Å²	106	94.9 Å²	94.9	50%	0.495	48%	0.483	S	S	.	.	H	α-helix	trans	-70.4	-43.7	173.2	-176.6	174.6	-9	0	0	110.9	N111 Q112 I113 D117 R118 E119	N111-Q115 PolarHBondContact O-N 2.76Å; Q112-Q115 PolarHBondContact O-N 3.44Å; I113-Q115 VanDerWaalsContact C-N 3.25Å; I113-Q115 PolarHBondContact O-N 3.46Å; Q115-D117 PolarHBondContact O-N 3.48Å; Q115-R118 PolarHBondContact O-N 3.36Å; Q115-E119 PolarHBondContact O-N 3.22Å
116	K	95.3	Very high	95.5	Very high	118 Å²	118	97.3 Å²	97.3	51%	0.513	49%	0.485	S	S	.	.	H	α-helix	trans	-64.3	-38.4	177	-70.6	-72.8	161.5	-157.4	0	112.3	Q112 I113 R118 E119 I120	Q112-K116 WeakPolarHBondContact O-CG 3.49Å; Q112-K116 PolarHBondContact O-N 3.5Å; I113-K116 CarbonylContact O-C 3.47Å; I113-K116 PolarHBondContact O-N 3.12Å; K116-R118 VanDerWaalsContact C-N 3.32Å; K116-R118 PolarHBondContact O-N 2.97Å; K116-E119 IonicContact NZ-OE1 3.87Å; K116-E119 IonicContact NZ-OE2 2.88Å; K116-E119 PolarHBondContact NZ-OE2 3.1Å; K116-E119 WeakPolarHBondContact O-CB 3.41Å; K116-E119 PolarHBondContact O-N 3.21Å; K116-I120 VanDerWaalsContact O-CG1 3.3Å; K116-I120 WeakPolarHBondContact O-CG1 3.34Å; K116-I120 PolarHBondContact O-N 2.85Å
117	D	96.4	Very high	95.5	Very high	76 Å²	76	97.8 Å²	97.8	41%	0.406	48%	0.482	S	S	.	.	H	α-helix	trans	-62.2	-39.9	174.9	-72.1	-25	0	0	0	111.9	I113 Q115 I120 Q121	I113-D117 PolarHBondContact O-N 3.12Å; Q115-D117 PolarHBondContact O-N 3.48Å; D117-I120 PolarHBondContact O-N 2.82Å; D117-Q121 WeakPolarHBondContact O-CG 3.28Å; D117-Q121 PolarHBondContact O-N 3.41Å
118	R	96	Very high	95.5	Very high	158 Å²	158	98.3 Å²	98.3	60%	0.596	49%	0.485	S	S	*	.	H	α-helix	trans	-65.5	-40.3	174	-78.1	-179.1	-87.4	164.2	-11.6	112.3	Q114 Q115 K116 S122	Q114-R118 WeakPolarHBondContact O-CG 3.44Å; Q114-R118 PolarHBondContact O-N 2.74Å; Q114-R118 PolarHBondContact O-NE 2.91Å; Q114-R118 VanDerWaalsContact O-NE 3.14Å; Q115-R118 PolarHBondContact O-N 3.36Å; K116-R118 VanDerWaalsContact C-N 3.32Å; K116-R118 PolarHBondContact O-N 2.97Å; R118-S122 WeakPolarHBondContact O-CB 3.32Å; R118-S122 PolarHBondContact O-N 2.96Å
119	E	95.6	Very high	95.6	Very high	75 Å²	75	99 Å²	99	35%	0.35	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-42.1	174.6	-72.6	173.1	-167.5	0	0	111.5	Q115 K116 S122 N123	Q115-E119 PolarHBondContact O-N 3.22Å; K116-E119 IonicContact NZ-OE1 3.87Å; K116-E119 IonicContact NZ-OE2 2.88Å; K116-E119 PolarHBondContact NZ-OE2 3.1Å; K116-E119 WeakPolarHBondContact O-CB 3.41Å; K116-E119 PolarHBondContact O-N 3.21Å; E119-S122 PolarHBondContact O-N 3.07Å; E119-N123 WeakPolarHBondContact O-CB 3.39Å; E119-N123 VanDerWaalsContact O-CG 3.26Å; E119-N123 PolarHBondContact O-N 3.32Å; E119-N123 PolarHBondContact O-ND2 2.86Å
120	I	95.8	Very high	95.6	Very high	87 Å²	87	99.7 Å²	99.7	45%	0.446	49%	0.485	S	S	.	.	H	α-helix	trans	-62.1	-50.1	176.7	-70	166.3	0	0	0	110.4	K116 D117 S122 N123 E124	K116-I120 VanDerWaalsContact O-CG1 3.3Å; K116-I120 WeakPolarHBondContact O-CG1 3.34Å; K116-I120 PolarHBondContact O-N 2.85Å; D117-I120 PolarHBondContact O-N 2.82Å; I120-S122 VanDerWaalsContact C-N 3.3Å; I120-S122 PolarHBondContact O-N 2.84Å; I120-N123 PolarHBondContact O-N 2.83Å; I120-E124 HydrophobicContact CG2-CG 4.33Å; I120-E124 WeakPolarHBondContact O-CG 3.26Å; I120-E124 PolarHBondContact O-N 3.01Å
121	Q	96.2	Very high	95.6	Very high	126 Å²	126	101.7 Å²	101.7	59%	0.589	49%	0.492	S	S	*	.	H	α-helix	trans	-59	-41.3	178.4	-72.5	172.2	11.4	0	0	112.2	D117 N123 E124 A125	D117-Q121 WeakPolarHBondContact O-CG 3.28Å; D117-Q121 PolarHBondContact O-N 3.41Å; Q121-N123 VanDerWaalsContact C-N 3.33Å; Q121-N123 PolarHBondContact O-N 2.91Å; Q121-E124 PolarHBondContact O-N 2.85Å; Q121-A125 PolarHBondContact O-N 3.47Å
122	S	95.3	Very high	95.7	Very high	67 Å²	67	104.8 Å²	104.8	47%	0.469	50%	0.503	S	S	.	.	H	α-helix	trans	-64.4	-38.4	175.5	-177	0	0	0	0	112.2	R118 E119 I120 R126	R118-S122 WeakPolarHBondContact O-CB 3.32Å; R118-S122 PolarHBondContact O-N 2.96Å; E119-S122 PolarHBondContact O-N 3.07Å; I120-S122 VanDerWaalsContact C-N 3.3Å; I120-S122 PolarHBondContact O-N 2.84Å; S122-R126 WeakPolarHBondContact O-CG 3.2Å; S122-R126 PolarHBondContact O-N 2.79Å
123	N	93.9	Very high	95.8	Very high	88 Å²	88	105.5 Å²	105.5	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-71.7	-37.5	177.8	-73.2	-25.4	0	0	0	111.9	E119 I120 Q121 R126 M127	E119-N123 WeakPolarHBondContact O-CB 3.39Å; E119-N123 VanDerWaalsContact O-CG 3.26Å; E119-N123 PolarHBondContact O-N 3.32Å; E119-N123 PolarHBondContact O-ND2 2.86Å; I120-N123 PolarHBondContact O-N 2.83Å; Q121-N123 VanDerWaalsContact C-N 3.33Å; Q121-N123 PolarHBondContact O-N 2.91Å; N123-R126 PolarHBondContact O-N 2.73Å; N123-M127 WeakPolarHBondContact O-CG 3.2Å; N123-M127 PolarHBondContact O-N 2.84Å
124	E	97.1	Very high	95.7	Very high	103 Å²	103	105.5 Å²	105.5	48%	0.481	51%	0.506	S	S	.	.	H	α-helix	trans	-61.2	-43.7	174	-74.8	178.8	165.5	0	0	111.8	I120 Q121 R126 M127 L128	I120-E124 HydrophobicContact CG2-CG 4.33Å; I120-E124 WeakPolarHBondContact O-CG 3.26Å; I120-E124 PolarHBondContact O-N 3.01Å; Q121-E124 PolarHBondContact O-N 2.85Å; E124-R126 VanDerWaalsContact C-N 3.35Å; E124-R126 PolarHBondContact O-N 3.19Å; E124-M127 HydrophobicContact CG-CE 4.11Å; E124-M127 PolarHBondContact O-N 3.07Å; E124-L128 PolarHBondContact O-N 2.73Å
125	A	95.5	Very high	95.7	Very high	61 Å²	61	104 Å²	104	50%	0.504	51%	0.509	S	S	.	.	H	α-helix	trans	-60.3	-43.8	175	0	0	0	0	0	112	Q121 L128 E129	Q121-A125 PolarHBondContact O-N 3.47Å; A125-L128 WeakPolarHBondContact O-CB 3.44Å; A125-L128 PolarHBondContact O-N 2.94Å; A125-E129 PolarHBondContact O-N 3.02Å
126	R	96.5	Very high	95.7	Very high	122 Å²	122	102.3 Å²	102.3	46%	0.46	51%	0.51	S	S	.	.	H	α-helix	trans	-65.1	-37.9	176.2	-72.1	178.3	63.3	171.4	0.1	112.7	S122 N123 E124 L128 E129 Y130	S122-R126 WeakPolarHBondContact O-CG 3.2Å; S122-R126 PolarHBondContact O-N 2.79Å; N123-R126 PolarHBondContact O-N 2.73Å; E124-R126 VanDerWaalsContact C-N 3.35Å; E124-R126 PolarHBondContact O-N 3.19Å; R126-L128 VanDerWaalsContact C-N 3.33Å; R126-E129 PolarHBondContact O-N 2.71Å; R126-Y130 HydrophobicContact CB-CE2 4.4Å; R126-Y130 PolarHBondContact NH2-OH 3.12Å; R126-Y130 WeakPolarHBondContact O-CD2 3.31Å; R126-Y130 PolarHBondContact O-N 3.29Å
127	M	94.8	Very high	95.7	Very high	106 Å²	106	101.1 Å²	101.1	52%	0.522	51%	0.508	S	S	.	.	H	α-helix	trans	-63.1	-41.2	175.5	-76	-165.9	-59.3	0	0	111.6	N123 E124 Y130 Q131	N123-M127 WeakPolarHBondContact O-CG 3.2Å; N123-M127 PolarHBondContact O-N 2.84Å; E124-M127 HydrophobicContact CG-CE 4.11Å; E124-M127 PolarHBondContact O-N 3.07Å; M127-Y130 PolarHBondContact O-N 2.95Å; M127-Q131 WeakPolarHBondContact O-CB 3.43Å; M127-Q131 VanDerWaalsContact O-CG 3.3Å; M127-Q131 WeakPolarHBondContact O-CG 3.36Å; M127-Q131 PolarHBondContact O-N 3.33Å
128	L	96.8	Very high	95.7	Very high	116 Å²	116	102.9 Å²	102.9	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-62.3	-43	175.1	-100.5	143.3	0	0	0	112.2	E124 A125 R126 Q131 Q132	E124-L128 PolarHBondContact O-N 2.73Å; A125-L128 WeakPolarHBondContact O-CB 3.44Å; A125-L128 PolarHBondContact O-N 2.94Å; R126-L128 VanDerWaalsContact C-N 3.33Å; L128-Q131 PolarHBondContact O-N 2.78Å; L128-Q132 PolarHBondContact O-N 3.48Å
129	E	95.4	Very high	95.7	Very high	125 Å²	125	96.3 Å²	96.3	58%	0.584	50%	0.495	S	S	*	.	H	α-helix	trans	-61.8	-45.4	176	-169.5	177.1	-166.7	0	0	111.5	A125 R126 Q131 Q132 Q133	A125-E129 PolarHBondContact O-N 3.02Å; R126-E129 PolarHBondContact O-N 2.71Å; E129-Q131 PolarHBondContact O-N 3.36Å; E129-Q132 PolarHBondContact O-N 2.97Å; E129-Q133 PolarHBondContact O-N 2.84Å
130	Y	94.3	Very high	95.7	Very high	112 Å²	112	96.5 Å²	96.5	44%	0.439	50%	0.499	S	S	.	.	H	α-helix	trans	-64	-38	174.9	-66.6	-39.5	0	0	0	112.7	R126 M127 Q132 Q133 I134	R126-Y130 HydrophobicContact CB-CE2 4.4Å; R126-Y130 PolarHBondContact NH2-OH 3.12Å; R126-Y130 WeakPolarHBondContact O-CD2 3.31Å; R126-Y130 PolarHBondContact O-N 3.29Å; M127-Y130 PolarHBondContact O-N 2.95Å; Y130-Q132 VanDerWaalsContact C-N 3.35Å; Y130-Q133 PolarHBondContact O-N 2.94Å; Y130-I134 WeakPolarHBondContact O-CB 3.41Å; Y130-I134 VanDerWaalsContact O-CG1 3.23Å; Y130-I134 WeakPolarHBondContact O-CG1 3.48Å; Y130-I134 PolarHBondContact O-N 2.81Å
131	Q	96.9	Very high	95.5	Very high	125 Å²	125	95.2 Å²	95.2	58%	0.584	50%	0.497	S	S	*	.	H	α-helix	trans	-62.6	-41.7	174.8	-77.7	175.3	-3.4	0	0	111.9	M127 L128 E129 I134 A135	M127-Q131 WeakPolarHBondContact O-CB 3.43Å; M127-Q131 VanDerWaalsContact O-CG 3.3Å; M127-Q131 WeakPolarHBondContact O-CG 3.36Å; M127-Q131 PolarHBondContact O-N 3.33Å; L128-Q131 PolarHBondContact O-N 2.78Å; E129-Q131 PolarHBondContact O-N 3.36Å; Q131-I134 PolarHBondContact O-N 2.76Å; Q131-A135 PolarHBondContact O-N 2.68Å
132	Q	96.5	Very high	95.6	Very high	149 Å²	149	96.1 Å²	96.1	70%	0.696	50%	0.495	S	S	*	.	H	α-helix	trans	-65.6	-40.8	176.4	-170.4	172.3	19.3	0	0	111.6	L128 E129 Y130 A135 S136	L128-Q132 PolarHBondContact O-N 3.48Å; E129-Q132 PolarHBondContact O-N 2.97Å; Y130-Q132 VanDerWaalsContact C-N 3.35Å; Q132-A135 PolarHBondContact O-N 3.47Å; Q132-S136 PolarHBondContact O-N 3.22Å
133	Q	96.3	Very high	95.6	Very high	112 Å²	112	97.9 Å²	97.9	52%	0.523	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-41.8	176.6	-168.1	175.4	14.8	0	0	112.1	E129 Y130 S136 L137	E129-Q133 PolarHBondContact O-N 2.84Å; Y130-Q133 PolarHBondContact O-N 2.94Å; Q133-S136 PolarHBondContact O-N 3.45Å; Q133-L137 HydrophobicContact CG-CD1 4.24Å; Q133-L137 WeakPolarHBondContact O-CG 3.38Å; Q133-L137 PolarHBondContact O-N 3.44Å
134	I	94.1	Very high	95.5	Very high	93 Å²	93	99.5 Å²	99.5	48%	0.477	51%	0.507	S	S	.	.	H	α-helix	trans	-60.4	-47	174.5	-70.7	164.5	0	0	0	110.2	Y130 Q131 S136 L137 E138	Y130-I134 WeakPolarHBondContact O-CB 3.41Å; Y130-I134 VanDerWaalsContact O-CG1 3.23Å; Y130-I134 WeakPolarHBondContact O-CG1 3.48Å; Y130-I134 PolarHBondContact O-N 2.81Å; Q131-I134 PolarHBondContact O-N 2.76Å; I134-S136 VanDerWaalsContact C-N 3.3Å; I134-S136 PolarHBondContact O-N 3.25Å; I134-L137 PolarHBondContact O-N 3Å; I134-E138 HydrophobicContact CG2-CG 4.27Å; I134-E138 WeakPolarHBondContact O-CB 3.43Å; I134-E138 WeakPolarHBondContact O-CG 3.16Å; I134-E138 PolarHBondContact O-N 3.45Å
135	A	96.6	Very high	95.4	Very high	58 Å²	58	102.8 Å²	102.8	48%	0.479	52%	0.515	S	S	.	.	H	α-helix	trans	-61.3	-38.2	179.1	0	0	0	0	0	112.6	Q131 Q132 G139	Q131-A135 PolarHBondContact O-N 2.68Å; Q132-A135 PolarHBondContact O-N 3.47Å; A135-G139 PolarHBondContact O-N 3.08Å; A135-G139 VanDerWaalsContact O-N 3.16Å
136	S	95.7	Very high	95.5	Very high	72 Å²	72	103.7 Å²	103.7	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-62.8	-50.9	173.6	-169.6	0	0	0	0	111.3	Q132 Q133 I134 E138 G139 D140	Q132-S136 PolarHBondContact O-N 3.22Å; Q133-S136 PolarHBondContact O-N 3.45Å; I134-S136 VanDerWaalsContact C-N 3.3Å; I134-S136 PolarHBondContact O-N 3.25Å; S136-E138 VanDerWaalsContact C-N 3.29Å; S136-E138 PolarHBondContact O-N 3.45Å; S136-G139 WeakPolarHBondContact O-CA 3.49Å; S136-G139 PolarHBondContact O-N 3.47Å; S136-D140 PolarHBondContact O-N 2.92Å
137	L	93.8	Very high	95.4	Very high	92 Å²	92	101.1 Å²	101.1	48%	0.482	51%	0.512	S	S	.	.	H	α-helix	trans	-63	-35.2	-179.7	-72	170.1	0	0	0	112.3	Q133 I134 G139 D140 C141	Q133-L137 HydrophobicContact CG-CD1 4.24Å; Q133-L137 WeakPolarHBondContact O-CG 3.38Å; Q133-L137 PolarHBondContact O-N 3.44Å; I134-L137 PolarHBondContact O-N 3Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.39Å; L137-D140 PolarHBondContact O-N 2.99Å; L137-C141 WeakPolarHBondContact O-CB 3.22Å; L137-C141 PolarHBondContact O-N 3.23Å; L137-C141 PolarHBondContact O-SG 3.17Å
138	E	96.6	Very high	95.3	Very high	114 Å²	114	100.9 Å²	100.9	53%	0.533	51%	0.512	S	S	.	.	H	α-helix	trans	-66	-30.8	173.1	-76.6	-177.7	169.1	0	0	112.8	I134 S136 R142	I134-E138 HydrophobicContact CG2-CG 4.27Å; I134-E138 WeakPolarHBondContact O-CB 3.43Å; I134-E138 WeakPolarHBondContact O-CG 3.16Å; I134-E138 PolarHBondContact O-N 3.45Å; S136-E138 VanDerWaalsContact C-N 3.29Å; S136-E138 PolarHBondContact O-N 3.45Å; E138-R142 PolarHBondContact O-N 3.46Å
139	G	96.5	Very high	95.3	Very high	19 Å²	19	100.8 Å²	100.8	20%	0.196	51%	0.509	C	S	.	.	H	α-helix	trans	-66.3	-54	170.1	0	0	0	0	0	111.2	A135 S136 L137 C141 R142 D143	A135-G139 PolarHBondContact O-N 3.08Å; A135-G139 VanDerWaalsContact O-N 3.16Å; S136-G139 WeakPolarHBondContact O-CA 3.49Å; S136-G139 PolarHBondContact O-N 3.47Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.39Å; G139-C141 VanDerWaalsContact C-N 3.29Å; G139-C141 PolarHBondContact O-N 3Å; G139-R142 WeakPolarHBondContact O-CA 3.49Å; G139-R142 WeakPolarHBondContact O-CB 3.48Å; G139-R142 PolarHBondContact O-N 3.23Å; G139-D143 PolarHBondContact O-N 2.95Å
140	D	94.4	Very high	95.4	Very high	80 Å²	80	101.3 Å²	101.3	43%	0.428	51%	0.511	S	S	.	.	H	α-helix	trans	-58.4	-41.4	180	-60	-23.7	0	0	0	111.7	S136 L137 R142 D143 L144	S136-D140 PolarHBondContact O-N 2.92Å; L137-D140 PolarHBondContact O-N 2.99Å; D140-R142 PolarHBondContact O-N 3.46Å; D140-D143 PolarHBondContact O-N 3.49Å; D140-L144 WeakPolarHBondContact O-CB 3.46Å; D140-L144 WeakPolarHBondContact O-CG 3.49Å; D140-L144 PolarHBondContact O-N 2.72Å
141	C	92.9	Very high	95.4	Very high	59 Å²	59	101.3 Å²	101.3	40%	0.399	52%	0.518	S	S	.	.	H	α-helix	trans	-62.1	-31.5	175.1	-74.5	0	0	0	0	112.6	L137 G139 R145	L137-C141 WeakPolarHBondContact O-CB 3.22Å; L137-C141 PolarHBondContact O-N 3.23Å; L137-C141 PolarHBondContact O-SG 3.17Å; G139-C141 VanDerWaalsContact C-N 3.29Å; G139-C141 PolarHBondContact O-N 3Å; C141-R145 VanDerWaalsContact O-CG 3.26Å; C141-R145 WeakPolarHBondContact O-CG 3.37Å; C141-R145 PolarHBondContact O-N 2.76Å
142	R	97.3	Very high	95.3	Very high	145 Å²	145	101 Å²	101	55%	0.547	52%	0.516	S	S	.	.	H	α-helix	trans	-73.4	-44.7	178.3	-136.1	179	-61.3	154.8	1.5	110.5	E138 G139 D140 R145 N146	E138-R142 PolarHBondContact O-N 3.46Å; G139-R142 WeakPolarHBondContact O-CA 3.49Å; G139-R142 WeakPolarHBondContact O-CB 3.48Å; G139-R142 PolarHBondContact O-N 3.23Å; D140-R142 PolarHBondContact O-N 3.46Å; R142-R145 PolarHBondContact O-N 2.66Å; R142-N146 PolarHBondContact O-N 2.7Å
143	D	95	Very high	95.3	Very high	105 Å²	105	99.8 Å²	99.8	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-65.9	-41.4	179.3	-66.9	-15.4	0	0	0	111.2	G139 D140 R145 N146 S147	G139-D143 PolarHBondContact O-N 2.95Å; D140-D143 PolarHBondContact O-N 3.49Å; D143-R145 VanDerWaalsContact C-N 3.34Å; D143-R145 PolarHBondContact O-N 2.91Å; D143-N146 PolarHBondContact O-N 3.43Å; D143-S147 PolarHBondContact O-N 3.14Å
144	L	93.1	Very high	95.2	Very high	121 Å²	121	96.8 Å²	96.8	63%	0.634	51%	0.507	S	S	*	.	H	α-helix	trans	-61	-40.1	173	-79.1	166.3	0	0	0	112.6	D140 S147 L148	D140-L144 WeakPolarHBondContact O-CB 3.46Å; D140-L144 WeakPolarHBondContact O-CG 3.49Å; D140-L144 PolarHBondContact O-N 2.72Å; L144-S147 PolarHBondContact O-N 3.39Å; L144-L148 WeakPolarHBondContact O-CB 3.3Å; L144-L148 PolarHBondContact O-N 2.82Å
145	R	95.3	Very high	95.1	Very high	172 Å²	172	96.3 Å²	96.3	65%	0.649	51%	0.505	S	S	*	.	H	α-helix	trans	-64.7	-40.8	175.7	-78.3	175.2	-166	148.7	6	112	C141 R142 D143 L148 Q149	C141-R145 VanDerWaalsContact O-CG 3.26Å; C141-R145 WeakPolarHBondContact O-CG 3.37Å; C141-R145 PolarHBondContact O-N 2.76Å; R142-R145 PolarHBondContact O-N 2.66Å; D143-R145 VanDerWaalsContact C-N 3.34Å; D143-R145 PolarHBondContact O-N 2.91Å; R145-L148 PolarHBondContact O-N 2.98Å; R145-Q149 PolarHBondContact O-N 3.12Å
146	N	96.6	Very high	95.1	Very high	81 Å²	81	98.1 Å²	98.1	43%	0.433	50%	0.504	S	S	.	.	H	α-helix	trans	-63.9	-46.1	176.6	-67.8	-17.8	0	0	0	110.8	R142 D143 L148 Q149 E150	R142-N146 PolarHBondContact O-N 2.7Å; D143-N146 PolarHBondContact O-N 3.43Å; N146-L148 VanDerWaalsContact C-N 3.32Å; N146-L148 PolarHBondContact O-N 2.94Å; N146-Q149 WeakPolarHBondContact O-CB 3.4Å; N146-Q149 PolarHBondContact O-N 3.36Å; N146-E150 WeakPolarHBondContact O-CG 3.46Å; N146-E150 PolarHBondContact O-N 2.82Å
147	S	95.2	Very high	95.1	Very high	68 Å²	68	98.3 Å²	98.3	48%	0.476	50%	0.502	S	S	.	.	H	α-helix	trans	-62.6	-38.9	177.1	-172.1	0	0	0	0	112.3	D143 L144 E150 L151	D143-S147 PolarHBondContact O-N 3.14Å; L144-S147 PolarHBondContact O-N 3.39Å; S147-E150 PolarHBondContact O-N 3.29Å; S147-L151 WeakPolarHBondContact O-CB 3.49Å; S147-L151 PolarHBondContact O-N 3.44Å
148	L	92.4	Very high	95.1	Very high	101 Å²	101	98.9 Å²	98.9	53%	0.529	51%	0.505	S	S	.	.	H	α-helix	trans	-60.7	-45.5	174	-171.9	113.2	0	0	0	111.2	L144 R145 N146 E150 L151 E152	L144-L148 WeakPolarHBondContact O-CB 3.3Å; L144-L148 PolarHBondContact O-N 2.82Å; R145-L148 PolarHBondContact O-N 2.98Å; N146-L148 VanDerWaalsContact C-N 3.32Å; N146-L148 PolarHBondContact O-N 2.94Å; L148-E150 PolarHBondContact O-N 3.13Å; L148-L151 PolarHBondContact O-N 2.98Å; L148-E152 WeakPolarHBondContact CD2-OE1 3.31Å; L148-E152 WeakPolarHBondContact O-CB 3.25Å; L148-E152 WeakPolarHBondContact O-CG 3Å; L148-E152 PolarHBondContact O-N 3.48Å
149	Q	97.1	Very high	95.1	Very high	114 Å²	114	99.2 Å²	99.2	53%	0.533	51%	0.505	S	S	.	.	H	α-helix	trans	-62.2	-43	178	-174.4	178.3	1	0	0	112	R145 N146 L151 E152 M153	R145-Q149 PolarHBondContact O-N 3.12Å; N146-Q149 WeakPolarHBondContact O-CB 3.4Å; N146-Q149 PolarHBondContact O-N 3.36Å; Q149-L151 VanDerWaalsContact C-N 3.33Å; Q149-L151 PolarHBondContact O-N 3.08Å; Q149-E152 PolarHBondContact O-N 3.39Å; Q149-M153 WeakPolarHBondContact O-CG 3.48Å; Q149-M153 PolarHBondContact O-N 3.47Å
150	E	96.1	Very high	95.1	Very high	136 Å²	136	102.5 Å²	102.5	64%	0.636	52%	0.518	S	S	*	.	H	α-helix	trans	-61.2	-42.7	175.1	-71.8	176.8	179.2	0	0	111.7	N146 S147 L148 M153 A154	N146-E150 WeakPolarHBondContact O-CG 3.46Å; N146-E150 PolarHBondContact O-N 2.82Å; S147-E150 PolarHBondContact O-N 3.29Å; L148-E150 PolarHBondContact O-N 3.13Å; E150-M153 PolarHBondContact O-N 3.1Å; E150-A154 PolarHBondContact O-N 3.28Å
151	L	94.3	Very high	95.2	Very high	112 Å²	112	103.9 Å²	103.9	59%	0.586	52%	0.522	S	S	*	.	H	α-helix	trans	-70.7	-33.3	179.9	-153.3	75.5	0	0	0	112.5	S147 L148 Q149 N155	S147-L151 WeakPolarHBondContact O-CB 3.49Å; S147-L151 PolarHBondContact O-N 3.44Å; L148-L151 PolarHBondContact O-N 2.98Å; Q149-L151 VanDerWaalsContact C-N 3.33Å; Q149-L151 PolarHBondContact O-N 3.08Å; L151-N155 WeakPolarHBondContact O-CB 3.5Å; L151-N155 PolarHBondContact O-N 3.23Å; L151-N155 PolarHBondContact O-ND2 3.34Å
152	E	95.6	Very high	95.4	Very high	117 Å²	117	108 Å²	108	55%	0.547	53%	0.53	S	S	.	.	H	α-helix	trans	-64.9	-44.4	172.1	-78.1	178.7	167.7	0	0	111.2	L148 Q149 N155 Q156	L148-E152 WeakPolarHBondContact CD2-OE1 3.31Å; L148-E152 WeakPolarHBondContact O-CB 3.25Å; L148-E152 WeakPolarHBondContact O-CG 3Å; L148-E152 PolarHBondContact O-N 3.48Å; Q149-E152 PolarHBondContact O-N 3.39Å; E152-N155 PolarHBondContact O-N 3.13Å; E152-Q156 PolarHBondContact O-N 3.33Å
153	M	96.7	Very high	95.3	Very high	124 Å²	124	105.4 Å²	105.4	61%	0.611	53%	0.527	S	S	*	.	H	α-helix	trans	-60.8	-46.5	174.9	-72.2	-179.4	62.8	0	0	111.5	Q149 E150 N155 Q156 T157	Q149-M153 WeakPolarHBondContact O-CG 3.48Å; Q149-M153 PolarHBondContact O-N 3.47Å; E150-M153 PolarHBondContact O-N 3.1Å; M153-N155 PolarHBondContact O-N 2.76Å; M153-Q156 PolarHBondContact O-N 3.33Å; M153-T157 PolarHBondContact O-N 2.84Å; M153-T157 PolarHBondContact O-OG1 2.85Å
154	A	94.4	Very high	95.4	Very high	49 Å²	49	102.8 Å²	102.8	41%	0.405	52%	0.52	S	S	.	.	H	α-helix	trans	-62.2	-41.2	177.5	0	0	0	0	0	112.5	E150 Q156 T157 L158	E150-A154 PolarHBondContact O-N 3.28Å; A154-Q156 VanDerWaalsContact C-N 3.31Å; A154-Q156 PolarHBondContact O-N 3.41Å; A154-T157 PolarHBondContact O-N 2.89Å; A154-L158 PolarHBondContact O-N 3.19Å
155	N	91.2	Very high	95.5	Very high	84 Å²	84	102.6 Å²	102.6	45%	0.449	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-37	174.9	-90.6	-66.7	0	0	0	112.5	L151 E152 M153 L158 K159	L151-N155 WeakPolarHBondContact O-CB 3.5Å; L151-N155 PolarHBondContact O-N 3.23Å; L151-N155 PolarHBondContact O-ND2 3.34Å; E152-N155 PolarHBondContact O-N 3.13Å; M153-N155 PolarHBondContact O-N 2.76Å; N155-L158 PolarHBondContact O-N 2.83Å; N155-K159 WeakPolarHBondContact O-CG 3.46Å; N155-K159 PolarHBondContact O-N 3.2Å
156	Q	96.3	Very high	95.5	Very high	96 Å²	96	98.3 Å²	98.3	45%	0.449	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-44	176.2	-171.3	56.9	44.4	0	0	110.8	E152 M153 A154 L158 K159 D160	E152-Q156 PolarHBondContact O-N 3.33Å; M153-Q156 PolarHBondContact O-N 3.33Å; A154-Q156 VanDerWaalsContact C-N 3.31Å; A154-Q156 PolarHBondContact O-N 3.41Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; Q156-L158 PolarHBondContact O-N 3Å; Q156-K159 WeakPolarHBondContact O-CB 3.48Å; Q156-K159 PolarHBondContact O-N 2.87Å; Q156-D160 PolarHBondContact NE2-OD1 2.95Å; Q156-D160 VanDerWaalsContact O-CG 3.25Å; Q156-D160 PolarHBondContact O-N 2.77Å
157	T	96.5	Very high	95.5	Very high	76 Å²	76	100.3 Å²	100.3	47%	0.466	52%	0.516	S	S	.	.	H	α-helix	trans	-58.8	-44.2	175.3	-52	0	0	0	0	112.1	M153 A154 K159 D160 E161	M153-T157 PolarHBondContact O-N 2.84Å; M153-T157 PolarHBondContact O-OG1 2.85Å; A154-T157 PolarHBondContact O-N 2.89Å; T157-K159 VanDerWaalsContact C-N 3.32Å; T157-K159 PolarHBondContact O-N 2.82Å; T157-D160 PolarHBondContact O-N 3.41Å; T157-E161 WeakPolarHBondContact O-CG 3.28Å; T157-E161 PolarHBondContact O-N 2.72Å
158	L	94.1	Very high	95.6	Very high	104 Å²	104	101 Å²	101	55%	0.545	52%	0.517	S	S	.	.	H	α-helix	trans	-64.1	-34.7	177.4	-74.2	172.3	0	0	0	113.1	A154 N155 Q156 Y162	A154-L158 PolarHBondContact O-N 3.19Å; N155-L158 PolarHBondContact O-N 2.83Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; Q156-L158 PolarHBondContact O-N 3Å; L158-Y162 WeakPolarHBondContact O-CB 3.38Å; L158-Y162 PolarHBondContact O-N 2.94Å
159	K	95.8	Very high	95.8	Very high	121 Å²	121	101.2 Å²	101.2	53%	0.526	51%	0.514	S	S	.	.	H	α-helix	trans	-65.7	-44.8	173.7	-75.2	174.5	-177.3	173.9	0	111.3	N155 Q156 T157 E161 Y162 D163	N155-K159 WeakPolarHBondContact O-CG 3.46Å; N155-K159 PolarHBondContact O-N 3.2Å; Q156-K159 WeakPolarHBondContact O-CB 3.48Å; Q156-K159 PolarHBondContact O-N 2.87Å; T157-K159 VanDerWaalsContact C-N 3.32Å; T157-K159 PolarHBondContact O-N 2.82Å; K159-E161 VanDerWaalsContact C-N 3.3Å; K159-E161 PolarHBondContact O-N 2.85Å; K159-Y162 WeakPolarHBondContact O-CB 3.34Å; K159-Y162 PolarHBondContact O-N 3.09Å; K159-D163 PolarHBondContact O-N 3.22Å
160	D	97.3	Very high	95.7	Very high	88 Å²	88	98.4 Å²	98.4	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-39.4	178.8	-59.8	-16.9	0	0	0	110.8	Q156 T157 A164	Q156-D160 PolarHBondContact NE2-OD1 2.95Å; Q156-D160 VanDerWaalsContact O-CG 3.25Å; Q156-D160 PolarHBondContact O-N 2.77Å; T157-D160 PolarHBondContact O-N 3.41Å; D160-A164 WeakPolarHBondContact O-CB 3.43Å; D160-A164 PolarHBondContact O-N 3.38Å
161	E	96.8	Very high	95.7	Very high	108 Å²	108	94.4 Å²	94.4	51%	0.505	50%	0.497	S	S	.	.	H	α-helix	trans	-63.3	-44.8	172.6	-73.7	-179.9	-179.6	0	0	112.3	T157 K159 A164 L165	T157-E161 WeakPolarHBondContact O-CG 3.28Å; T157-E161 PolarHBondContact O-N 2.72Å; K159-E161 VanDerWaalsContact C-N 3.3Å; K159-E161 PolarHBondContact O-N 2.85Å; E161-A164 PolarHBondContact O-N 2.93Å; E161-L165 WeakPolarHBondContact O-CD1 3.47Å; E161-L165 PolarHBondContact O-N 3.37Å
162	Y	95.8	Very high	95.8	Very high	145 Å²	145	94.3 Å²	94.3	57%	0.569	50%	0.497	S	S	*	.	H	α-helix	trans	-60.1	-46.3	176.7	174.1	-92.8	0	0	0	111.8	L158 K159 A164 L165 Q166	L158-Y162 WeakPolarHBondContact O-CB 3.38Å; L158-Y162 PolarHBondContact O-N 2.94Å; K159-Y162 WeakPolarHBondContact O-CB 3.34Å; K159-Y162 PolarHBondContact O-N 3.09Å; Y162-A164 VanDerWaalsContact C-N 3.33Å; Y162-A164 PolarHBondContact O-N 3.37Å; Y162-L165 PolarHBondContact O-N 2.83Å; Y162-Q166 WeakPolarHBondContact O-CB 3.46Å; Y162-Q166 PolarHBondContact O-N 2.98Å
163	D	96.1	Very high	95.9	Very high	91 Å²	91	93.7 Å²	93.7	49%	0.487	49%	0.494	S	S	.	.	H	α-helix	trans	-63.6	-40.4	179	-73.6	-18.4	0	0	0	111.1	K159 Q166 I167	K159-D163 PolarHBondContact O-N 3.22Å; D163-Q166 PolarHBondContact O-N 2.98Å; D163-I167 VanDerWaalsContact O-CG1 3.31Å; D163-I167 WeakPolarHBondContact O-CG1 3.35Å; D163-I167 PolarHBondContact O-N 2.95Å
164	A	96.6	Very high	95.9	Very high	51 Å²	51	92.3 Å²	92.3	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-60.9	-45.9	173.2	0	0	0	0	0	111.8	D160 E161 Y162 Q166 I167 T168	D160-A164 WeakPolarHBondContact O-CB 3.43Å; D160-A164 PolarHBondContact O-N 3.38Å; E161-A164 PolarHBondContact O-N 2.93Å; Y162-A164 VanDerWaalsContact C-N 3.33Å; Y162-A164 PolarHBondContact O-N 3.37Å; A164-Q166 VanDerWaalsContact C-N 3.35Å; A164-Q166 PolarHBondContact O-N 2.96Å; A164-I167 PolarHBondContact O-N 3.44Å; A164-T168 WeakPolarHBondContact O-CG2 3.36Å; A164-T168 PolarHBondContact O-N 3.33Å; A164-T168 VanDerWaalsContact O-N 3.11Å
165	L	95.1	Very high	96	Very high	116 Å²	116	96.8 Å²	96.8	61%	0.607	50%	0.496	S	S	*	.	H	α-helix	trans	-61	-43.6	176	-96.6	76	0	0	0	111.5	E161 Y162 I167 T168 F169	E161-L165 WeakPolarHBondContact O-CD1 3.47Å; E161-L165 PolarHBondContact O-N 3.37Å; Y162-L165 PolarHBondContact O-N 2.83Å; L165-I167 VanDerWaalsContact C-N 3.31Å; L165-I167 PolarHBondContact O-N 2.96Å; L165-T168 PolarHBondContact O-N 3.14Å; L165-T168 VanDerWaalsContact O-N 3.12Å; L165-T168 PolarHBondContact O-OG1 2.88Å; L165-F169 WeakPolarHBondContact O-CB 3.49Å; L165-F169 PolarHBondContact O-N 3.27Å
166	Q	96.3	Very high	96.2	Very high	83 Å²	83	98.7 Å²	98.7	39%	0.388	51%	0.506	S	S	.	.	H	α-helix	trans	-60.8	-40.1	179.6	-172.1	64.9	14.6	0	0	112.3	Y162 D163 A164 F169 S170	Y162-Q166 WeakPolarHBondContact O-CB 3.46Å; Y162-Q166 PolarHBondContact O-N 2.98Å; D163-Q166 PolarHBondContact O-N 2.98Å; A164-Q166 VanDerWaalsContact C-N 3.35Å; A164-Q166 PolarHBondContact O-N 2.96Å; Q166-F169 PolarHBondContact O-N 3.38Å; Q166-S170 WeakPolarHBondContact O-CB 3.38Å; Q166-S170 PolarHBondContact O-N 2.83Å; Q166-S170 PolarHBondContact O-OG 3.5Å
167	I	97.1	Very high	96.3	Very high	123 Å²	123	100 Å²	100	63%	0.631	51%	0.507	S	S	*	.	H	α-helix	trans	-62.7	-46.2	174.3	-67.7	165.8	0	0	0	110.4	D163 A164 L165 F169 S170 A171	D163-I167 VanDerWaalsContact O-CG1 3.31Å; D163-I167 WeakPolarHBondContact O-CG1 3.35Å; D163-I167 PolarHBondContact O-N 2.95Å; A164-I167 PolarHBondContact O-N 3.44Å; L165-I167 VanDerWaalsContact C-N 3.31Å; L165-I167 PolarHBondContact O-N 2.96Å; I167-F169 PolarHBondContact O-N 3.47Å; I167-S170 PolarHBondContact O-N 3.16Å; I167-A171 PolarHBondContact O-N 3.06Å
168	T	96.6	Very high	96.3	Very high	81 Å²	81	102.5 Å²	102.5	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-65.5	-37.9	179.1	63.8	0	0	0	0	112.8	A164 L165 A171 L172	A164-T168 WeakPolarHBondContact O-CG2 3.36Å; A164-T168 PolarHBondContact O-N 3.33Å; A164-T168 VanDerWaalsContact O-N 3.11Å; L165-T168 PolarHBondContact O-N 3.14Å; L165-T168 VanDerWaalsContact O-N 3.12Å; L165-T168 PolarHBondContact O-OG1 2.88Å; T168-A171 PolarHBondContact O-N 3.09Å; T168-L172 WeakPolarHBondContact O-CG 3.44Å; T168-L172 PolarHBondContact O-N 3Å
169	F	95.8	Very high	96.4	Very high	106 Å²	106	101 Å²	101	47%	0.465	51%	0.507	S	S	.	.	H	α-helix	trans	-63.2	-48.2	176.6	177.4	-98.9	0	0	0	111	L165 Q166 I167 A171 L172 E173	L165-F169 WeakPolarHBondContact O-CB 3.49Å; L165-F169 PolarHBondContact O-N 3.27Å; Q166-F169 PolarHBondContact O-N 3.38Å; I167-F169 PolarHBondContact O-N 3.47Å; F169-A171 VanDerWaalsContact C-N 3.27Å; F169-A171 PolarHBondContact O-N 3.45Å; F169-L172 WeakPolarHBondContact O-CB 3.25Å; F169-L172 PolarHBondContact O-N 3.04Å; F169-E173 HydrophobicContact CD1-CG 4.23Å; F169-E173 HydrophobicContact CE1-CG 3.74Å; F169-E173 WeakPolarHBondContact CE1-OE1 3.44Å; F169-E173 WeakPolarHBondContact CE1-OE2 3.06Å; F169-E173 HydrophobicContact CE2-CG 4.33Å; F169-E173 VanDerWaalsContact CZ-CD 3.46Å; F169-E173 HydrophobicContact CZ-CG 3.78Å; F169-E173 WeakPolarHBondContact CZ-OE1 2.96Å; F169-E173 PolarHBondContact O-N 2.98Å
170	S	95.5	Very high	96.4	Very high	56 Å²	56	98.8 Å²	98.8	39%	0.392	51%	0.506	S	S	.	.	H	α-helix	trans	-59.8	-39	177.5	-53.9	0	0	0	0	111.7	Q166 I167 L172 E173 E174	Q166-S170 WeakPolarHBondContact O-CB 3.38Å; Q166-S170 PolarHBondContact O-N 2.83Å; Q166-S170 PolarHBondContact O-OG 3.5Å; I167-S170 PolarHBondContact O-N 3.16Å; S170-L172 VanDerWaalsContact C-N 3.34Å; S170-L172 PolarHBondContact O-N 2.93Å; S170-E173 PolarHBondContact O-N 3.25Å; S170-E174 PolarHBondContact O-N 3.01Å; S170-E174 VanDerWaalsContact O-N 3.08Å
171	A	96.8	Very high	96.4	Very high	52 Å²	52	99.2 Å²	99.2	43%	0.43	51%	0.505	S	S	.	.	H	α-helix	trans	-67.3	-32.8	175.5	0	0	0	0	0	113.1	I167 T168 F169 K175	I167-A171 PolarHBondContact O-N 3.06Å; T168-A171 PolarHBondContact O-N 3.09Å; F169-A171 VanDerWaalsContact C-N 3.27Å; F169-A171 PolarHBondContact O-N 3.45Å; A171-K175 WeakPolarHBondContact O-CG 3.33Å; A171-K175 PolarHBondContact O-N 3.48Å
172	L	95.8	Very high	96.3	Very high	109 Å²	109	97.6 Å²	97.6	57%	0.571	50%	0.5	S	S	*	.	H	α-helix	trans	-73.8	-40.9	174.6	-75.9	169.8	0	0	0	112	T168 F169 S170 E174 K175 L176	T168-L172 WeakPolarHBondContact O-CG 3.44Å; T168-L172 PolarHBondContact O-N 3Å; F169-L172 WeakPolarHBondContact O-CB 3.25Å; F169-L172 PolarHBondContact O-N 3.04Å; S170-L172 VanDerWaalsContact C-N 3.34Å; S170-L172 PolarHBondContact O-N 2.93Å; L172-E174 VanDerWaalsContact C-N 3.32Å; L172-E174 PolarHBondContact O-N 3.02Å; L172-K175 PolarHBondContact O-N 3.26Å; L172-L176 PolarHBondContact O-N 3.5Å
173	E	96.9	Very high	96.3	Very high	105 Å²	105	95.5 Å²	95.5	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-59.4	-43.2	174.4	-76.3	-167.6	142.1	0	0	111.6	F169 S170 K175 L176 R177	F169-E173 HydrophobicContact CD1-CG 4.23Å; F169-E173 HydrophobicContact CE1-CG 3.74Å; F169-E173 WeakPolarHBondContact CE1-OE1 3.44Å; F169-E173 WeakPolarHBondContact CE1-OE2 3.06Å; F169-E173 HydrophobicContact CE2-CG 4.33Å; F169-E173 VanDerWaalsContact CZ-CD 3.46Å; F169-E173 HydrophobicContact CZ-CG 3.78Å; F169-E173 WeakPolarHBondContact CZ-OE1 2.96Å; F169-E173 PolarHBondContact O-N 2.98Å; S170-E173 PolarHBondContact O-N 3.25Å; E173-K175 VanDerWaalsContact C-N 3.33Å; E173-K175 PolarHBondContact O-N 3.27Å; E173-L176 WeakPolarHBondContact O-CB 3.5Å; E173-L176 PolarHBondContact O-N 3.32Å; E173-L176 VanDerWaalsContact O-N 3.16Å; E173-R177 WeakPolarHBondContact O-CB 3.44Å; E173-R177 PolarHBondContact O-N 3.38Å
174	E	97.3	Very high	96.3	Very high	95 Å²	95	97.2 Å²	97.2	44%	0.444	50%	0.504	S	S	.	.	H	α-helix	trans	-64.8	-38.1	177.8	-176.9	58.8	-165.7	0	0	112	S170 L172 R177 K178	S170-E174 PolarHBondContact O-N 3.01Å; S170-E174 VanDerWaalsContact O-N 3.08Å; L172-E174 VanDerWaalsContact C-N 3.32Å; L172-E174 PolarHBondContact O-N 3.02Å; E174-R177 PolarHBondContact O-N 3.24Å; E174-R177 IonicContact OE1-CZ 3.74Å; E174-R177 IonicContact OE1-NE 3.97Å; E174-R177 IonicContact OE1-NH2 2.94Å; E174-R177 PolarHBondContact OE1-NH2 3.01Å; E174-R177 IonicContact OE2-CZ 3.06Å; E174-R177 IonicContact OE2-NE 3.94Å; E174-R177 PolarHBondContact OE2-NE 3.37Å; E174-R177 IonicContact OE2-NH2 2.78Å; E174-R177 PolarHBondContact OE2-NH2 2.84Å; E174-K178 WeakPolarHBondContact O-CB 3.26Å; E174-K178 PolarHBondContact O-N 2.89Å
175	K	97.3	Very high	96.3	Very high	143 Å²	143	99.4 Å²	99.4	62%	0.622	51%	0.505	S	S	*	.	H	α-helix	trans	-63.9	-40.6	172.4	-76.1	177.6	-178.7	177.8	0	112	A171 L172 E173 T179	A171-K175 WeakPolarHBondContact O-CG 3.33Å; A171-K175 PolarHBondContact O-N 3.48Å; L172-K175 PolarHBondContact O-N 3.26Å; E173-K175 VanDerWaalsContact C-N 3.33Å; E173-K175 PolarHBondContact O-N 3.27Å; K175-T179 PolarHBondContact O-N 2.84Å; K175-T179 PolarHBondContact O-OG1 2.95Å
176	L	95.6	Very high	96.3	Very high	123 Å²	123	98.8 Å²	98.8	64%	0.644	50%	0.502	S	S	*	.	H	α-helix	trans	-64.7	-43.3	176.7	-177.6	65.7	0	0	0	111.1	L172 E173 T179 S180	L172-L176 PolarHBondContact O-N 3.5Å; E173-L176 WeakPolarHBondContact O-CB 3.5Å; E173-L176 PolarHBondContact O-N 3.32Å; E173-L176 VanDerWaalsContact O-N 3.16Å; L176-T179 WeakPolarHBondContact CA-OG1 3.36Å; L176-T179 PolarHBondContact O-N 3.37Å; L176-T179 PolarHBondContact O-OG1 3.24Å; L176-S180 WeakPolarHBondContact O-CB 3.49Å; L176-S180 PolarHBondContact O-N 3.28Å
177	R	97.2	Very high	96.2	Very high	124 Å²	124	98.5 Å²	98.5	47%	0.468	51%	0.505	S	S	.	.	H	α-helix	trans	-59.1	-50.1	176.1	-171.2	-179.4	73.3	96.8	-5.5	111.1	E173 E174 T179 S180 E181	E173-R177 WeakPolarHBondContact O-CB 3.44Å; E173-R177 PolarHBondContact O-N 3.38Å; E174-R177 PolarHBondContact O-N 3.24Å; E174-R177 IonicContact OE1-CZ 3.74Å; E174-R177 IonicContact OE1-NE 3.97Å; E174-R177 IonicContact OE1-NH2 2.94Å; E174-R177 PolarHBondContact OE1-NH2 3.01Å; E174-R177 IonicContact OE2-CZ 3.06Å; E174-R177 IonicContact OE2-NE 3.94Å; E174-R177 PolarHBondContact OE2-NE 3.37Å; E174-R177 IonicContact OE2-NH2 2.78Å; E174-R177 PolarHBondContact OE2-NH2 2.84Å; R177-T179 PolarHBondContact O-N 2.83Å; R177-S180 WeakPolarHBondContact O-CB 3.36Å; R177-S180 PolarHBondContact O-N 3.15Å; R177-S180 VanDerWaalsContact O-N 3.16Å; R177-E181 IonicContact CZ-OE1 3.24Å; R177-E181 IonicContact NH1-OE1 2.73Å; R177-E181 PolarHBondContact NH1-OE1 3.25Å; R177-E181 IonicContact NH1-OE2 2.68Å; R177-E181 WeakPolarHBondContact O-CG 3.37Å; R177-E181 PolarHBondContact O-N 2.73Å
178	K	97.2	Very high	96.1	Very high	128 Å²	128	95.6 Å²	95.6	56%	0.557	50%	0.496	S	S	*	.	H	α-helix	trans	-60.1	-45.9	179	-171.9	173.4	-177.5	175.8	0	112.5	E174 S180 E181 D182	E174-K178 WeakPolarHBondContact O-CB 3.26Å; E174-K178 PolarHBondContact O-N 2.89Å; K178-S180 VanDerWaalsContact C-N 3.3Å; K178-S180 PolarHBondContact O-N 3.48Å; K178-E181 PolarHBondContact O-N 2.92Å; K178-D182 VanDerWaalsContact O-CG 3.31Å; K178-D182 PolarHBondContact O-N 2.95Å
179	T	95.4	Very high	96.1	Very high	74 Å²	74	98.9 Å²	98.9	45%	0.454	50%	0.5	S	S	.	.	H	α-helix	trans	-65.5	-32.8	177	44.9	0	0	0	0	112.7	K175 L176 R177 N183	K175-T179 PolarHBondContact O-N 2.84Å; K175-T179 PolarHBondContact O-OG1 2.95Å; L176-T179 WeakPolarHBondContact CA-OG1 3.36Å; L176-T179 PolarHBondContact O-N 3.37Å; L176-T179 PolarHBondContact O-OG1 3.24Å; R177-T179 PolarHBondContact O-N 2.83Å; T179-N183 WeakPolarHBondContact O-CB 3.37Å; T179-N183 VanDerWaalsContact O-CG 3.26Å; T179-N183 PolarHBondContact O-N 3.3Å; T179-N183 PolarHBondContact O-ND2 3.4Å
180	S	95.7	Very high	96	Very high	73 Å²	73	100.9 Å²	100.9	51%	0.51	50%	0.504	S	S	.	.	H	α-helix	trans	-67.6	-41.3	172.9	-171	0	0	0	0	112.4	L176 R177 K178 N183 Q184	L176-S180 WeakPolarHBondContact O-CB 3.49Å; L176-S180 PolarHBondContact O-N 3.28Å; R177-S180 WeakPolarHBondContact O-CB 3.36Å; R177-S180 PolarHBondContact O-N 3.15Å; R177-S180 VanDerWaalsContact O-N 3.16Å; K178-S180 VanDerWaalsContact C-N 3.3Å; K178-S180 PolarHBondContact O-N 3.48Å; S180-N183 PolarHBondContact O-N 2.94Å; S180-Q184 WeakPolarHBondContact O-CB 3.27Å; S180-Q184 PolarHBondContact O-N 2.86Å
181	E	96.8	Very high	95.8	Very high	97 Å²	97	103.3 Å²	103.3	45%	0.453	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-47.1	176.1	-73.3	171.8	-172.7	0	0	111.1	R177 K178 N183 Q184 E185	R177-E181 IonicContact CZ-OE1 3.24Å; R177-E181 IonicContact NH1-OE1 2.73Å; R177-E181 PolarHBondContact NH1-OE1 3.25Å; R177-E181 IonicContact NH1-OE2 2.68Å; R177-E181 WeakPolarHBondContact O-CG 3.37Å; R177-E181 PolarHBondContact O-N 2.73Å; K178-E181 PolarHBondContact O-N 2.92Å; E181-N183 VanDerWaalsContact C-N 3.32Å; E181-N183 PolarHBondContact O-N 3.47Å; E181-Q184 PolarHBondContact O-N 3.24Å; E181-Q184 VanDerWaalsContact O-N 3.16Å; E181-E185 PolarHBondContact O-N 2.78Å
182	D	96	Very high	95.7	Very high	75 Å²	75	103.8 Å²	103.8	40%	0.401	51%	0.514	S	S	.	.	H	α-helix	trans	-58.6	-43.7	176.6	-69.2	-19.9	0	0	0	111.3	K178 E185 L186	K178-D182 VanDerWaalsContact O-CG 3.31Å; K178-D182 PolarHBondContact O-N 2.95Å; D182-E185 PolarHBondContact O-N 3.14Å; D182-L186 VanDerWaalsContact O-CG 3.32Å; D182-L186 WeakPolarHBondContact O-CG 3.46Å; D182-L186 PolarHBondContact O-N 2.88Å
183	N	95.6	Very high	95.6	Very high	101 Å²	101	105.1 Å²	105.1	54%	0.54	52%	0.518	S	S	.	.	H	α-helix	trans	-62.9	-43.2	176.1	-79.4	-23.9	0	0	0	112.1	T179 S180 E181 E185 L186 V187	T179-N183 WeakPolarHBondContact O-CB 3.37Å; T179-N183 VanDerWaalsContact O-CG 3.26Å; T179-N183 PolarHBondContact O-N 3.3Å; T179-N183 PolarHBondContact O-ND2 3.4Å; S180-N183 PolarHBondContact O-N 2.94Å; E181-N183 VanDerWaalsContact C-N 3.32Å; E181-N183 PolarHBondContact O-N 3.47Å; N183-E185 VanDerWaalsContact C-N 3.32Å; N183-E185 PolarHBondContact O-N 3.06Å; N183-L186 PolarHBondContact O-N 2.8Å; N183-V187 WeakPolarHBondContact O-CG2 3.44Å; N183-V187 PolarHBondContact O-N 2.6Å
184	Q	95.6	Very high	95.5	Very high	126 Å²	126	104.5 Å²	104.5	59%	0.589	51%	0.514	S	S	*	.	H	α-helix	trans	-63.9	-39.2	178.6	-172.1	64.9	22.7	0	0	111.4	S180 E181 S188	S180-Q184 WeakPolarHBondContact O-CB 3.27Å; S180-Q184 PolarHBondContact O-N 2.86Å; E181-Q184 PolarHBondContact O-N 3.24Å; E181-Q184 VanDerWaalsContact O-N 3.16Å; Q184-S188 WeakPolarHBondContact O-CB 3.35Å; Q184-S188 PolarHBondContact O-N 3.17Å; Q184-S188 PolarHBondContact O-OG 2.95Å
185	E	96.1	Very high	95.2	Very high	97 Å²	97	102.3 Å²	102.3	45%	0.453	51%	0.512	S	S	.	.	H	α-helix	trans	-65.9	-44.7	176.3	-167	-178.6	-176.7	0	0	111.4	E181 D182 N183 V187 S188 R189	E181-E185 PolarHBondContact O-N 2.78Å; D182-E185 PolarHBondContact O-N 3.14Å; N183-E185 VanDerWaalsContact C-N 3.32Å; N183-E185 PolarHBondContact O-N 3.06Å; E185-V187 PolarHBondContact O-N 2.86Å; E185-S188 PolarHBondContact O-N 3.08Å; E185-R189 VanDerWaalsContact CD-NH2 3.35Å; E185-R189 WeakPolarHBondContact O-CG 3.33Å; E185-R189 PolarHBondContact O-N 3.07Å; E185-R189 IonicContact OE1-CZ 3.16Å; E185-R189 VanDerWaalsContact OE1-CZ 3.31Å; E185-R189 IonicContact OE1-NE 2.76Å; E185-R189 PolarHBondContact OE1-NE 2.67Å; E185-R189 IonicContact OE1-NH2 3.75Å; E185-R189 PolarHBondContact OE1-NH2 2.84Å; E185-R189 IonicContact OE2-NH2 3.54Å
186	L	95.9	Very high	95.1	Very high	104 Å²	104	101.6 Å²	101.6	55%	0.545	51%	0.514	S	S	.	.	H	α-helix	trans	-59.1	-45.6	176.2	-74.6	170.6	0	0	0	112	D182 N183 S188 R189 W190	D182-L186 VanDerWaalsContact O-CG 3.32Å; D182-L186 WeakPolarHBondContact O-CG 3.46Å; D182-L186 PolarHBondContact O-N 2.88Å; N183-L186 PolarHBondContact O-N 2.8Å; L186-S188 VanDerWaalsContact C-N 3.32Å; L186-S188 PolarHBondContact O-N 3.27Å; L186-R189 PolarHBondContact O-N 3.32Å; L186-W190 WeakPolarHBondContact O-CB 3.38Å; L186-W190 PolarHBondContact O-N 3.41Å
187	V	95.1	Very high	94.9	Very high	76 Å²	76	100.4 Å²	100.4	46%	0.461	51%	0.505	S	S	.	.	H	α-helix	trans	-61.8	-42.6	175.9	171.4	0	0	0	0	110.8	N183 E185 W190 M191	N183-V187 WeakPolarHBondContact O-CG2 3.44Å; N183-V187 PolarHBondContact O-N 2.6Å; E185-V187 PolarHBondContact O-N 2.86Å; V187-W190 PolarHBondContact O-N 3.46Å; V187-M191 HydrophobicContact CG1-CG 4.34Å; V187-M191 WeakPolarHBondContact O-CB 3.28Å; V187-M191 VanDerWaalsContact O-CG 3.27Å; V187-M191 WeakPolarHBondContact O-CG 3.23Å; V187-M191 PolarHBondContact O-N 3.38Å
188	S	94.6	Very high	94.6	Very high	62 Å²	62	96.5 Å²	96.5	43%	0.434	50%	0.5	S	S	.	.	H	α-helix	trans	-63.9	-44.3	179.3	-59.4	0	0	0	0	112	Q184 E185 L186 M191 A192	Q184-S188 WeakPolarHBondContact O-CB 3.35Å; Q184-S188 PolarHBondContact O-N 3.17Å; Q184-S188 PolarHBondContact O-OG 2.95Å; E185-S188 PolarHBondContact O-N 3.08Å; L186-S188 VanDerWaalsContact C-N 3.32Å; L186-S188 PolarHBondContact O-N 3.27Å; S188-M191 PolarHBondContact O-N 3.23Å; S188-A192 WeakPolarHBondContact O-CB 3.4Å; S188-A192 PolarHBondContact O-N 3.48Å
189	R	95.5	Very high	94.3	Very high	151 Å²	151	95.6 Å²	95.6	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-61.4	-45.4	174.9	-71.7	179.9	-173.8	178.5	2.6	111.4	E185 L186 M191 A192 E193	E185-R189 VanDerWaalsContact CD-NH2 3.35Å; E185-R189 WeakPolarHBondContact O-CG 3.33Å; E185-R189 PolarHBondContact O-N 3.07Å; E185-R189 IonicContact OE1-CZ 3.16Å; E185-R189 VanDerWaalsContact OE1-CZ 3.31Å; E185-R189 IonicContact OE1-NE 2.76Å; E185-R189 PolarHBondContact OE1-NE 2.67Å; E185-R189 IonicContact OE1-NH2 3.75Å; E185-R189 PolarHBondContact OE1-NH2 2.84Å; E185-R189 IonicContact OE2-NH2 3.54Å; L186-R189 PolarHBondContact O-N 3.32Å; R189-M191 PolarHBondContact O-N 2.89Å; R189-A192 PolarHBondContact O-N 2.89Å; R189-E193 PolarHBondContact O-N 2.96Å
190	W	93.6	Very high	94.2	Very high	147 Å²	147	100.2 Å²	100.2	56%	0.557	51%	0.51	S	S	*	.	H	α-helix	trans	-61.4	-42.9	177.6	-179.9	70.7	0	0	0	112.4	L186 V187 E193 K194	L186-W190 WeakPolarHBondContact O-CB 3.38Å; L186-W190 PolarHBondContact O-N 3.41Å; V187-W190 PolarHBondContact O-N 3.46Å; W190-E193 PolarHBondContact O-N 2.95Å; W190-K194 HydrophobicContact CD2-CG 4.39Å; W190-K194 HydrophobicContact CZ2-CG 4.29Å; W190-K194 WeakPolarHBondContact O-CB 3.42Å; W190-K194 WeakPolarHBondContact O-CG 3.45Å; W190-K194 PolarHBondContact O-N 3.26Å
191	M	92.9	Very high	93.9	Very high	107 Å²	107	101.3 Å²	101.3	53%	0.527	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-41.4	176.3	-74.8	-65.2	-68	0	0	112.2	V187 S188 R189 K194 A195	V187-M191 HydrophobicContact CG1-CG 4.34Å; V187-M191 WeakPolarHBondContact O-CB 3.28Å; V187-M191 VanDerWaalsContact O-CG 3.27Å; V187-M191 WeakPolarHBondContact O-CG 3.23Å; V187-M191 PolarHBondContact O-N 3.38Å; S188-M191 PolarHBondContact O-N 3.23Å; R189-M191 PolarHBondContact O-N 2.89Å; M191-K194 PolarHBondContact O-N 3.44Å; M191-A195 WeakPolarHBondContact O-CB 3.5Å; M191-A195 PolarHBondContact O-N 3.45Å
192	A	93.5	Very high	93.6	Very high	62 Å²	62	101.3 Å²	101.3	51%	0.512	51%	0.513	S	S	.	.	H	α-helix	trans	-63.5	-43.5	176.9	0	0	0	0	0	111.9	S188 R189 A195 L196	S188-A192 WeakPolarHBondContact O-CB 3.4Å; S188-A192 PolarHBondContact O-N 3.48Å; R189-A192 PolarHBondContact O-N 2.89Å; A192-A195 PolarHBondContact O-N 3.1Å; A192-L196 PolarHBondContact O-N 3.41Å
193	E	94.1	Very high	93.4	Very high	137 Å²	137	100 Å²	100	64%	0.64	51%	0.512	S	S	*	.	H	α-helix	trans	-62.6	-43.5	176.3	-166.7	177.7	-168.5	0	0	111.3	R189 W190 A195 L196 E197	R189-E193 PolarHBondContact O-N 2.96Å; W190-E193 PolarHBondContact O-N 2.95Å; E193-A195 PolarHBondContact O-N 3.01Å; E193-L196 PolarHBondContact O-N 3.22Å; E193-E197 PolarHBondContact O-N 3.46Å
194	K	93.6	Very high	93.1	Very high	93 Å²	93	99.4 Å²	99.4	40%	0.404	51%	0.506	S	S	.	.	H	α-helix	trans	-63.2	-38.4	175.3	-73.9	-72.5	155.1	-149	0	113	W190 M191 E197 A198	W190-K194 HydrophobicContact CD2-CG 4.39Å; W190-K194 HydrophobicContact CZ2-CG 4.29Å; W190-K194 WeakPolarHBondContact O-CB 3.42Å; W190-K194 WeakPolarHBondContact O-CG 3.45Å; W190-K194 PolarHBondContact O-N 3.26Å; M191-K194 PolarHBondContact O-N 3.44Å; K194-E197 IonicContact NZ-OE2 3.32Å; K194-E197 PolarHBondContact NZ-OE2 2.85Å; K194-E197 PolarHBondContact O-N 2.92Å; K194-A198 WeakPolarHBondContact O-CB 3.44Å; K194-A198 PolarHBondContact O-N 2.87Å
195	A	92.8	Very high	92.7	Very high	49 Å²	49	98 Å²	98	41%	0.405	50%	0.503	S	S	.	.	H	α-helix	trans	-65.8	-40.1	175.8	0	0	0	0	0	111.7	M191 A192 E193 A198 N199	M191-A195 WeakPolarHBondContact O-CB 3.5Å; M191-A195 PolarHBondContact O-N 3.45Å; A192-A195 PolarHBondContact O-N 3.1Å; E193-A195 PolarHBondContact O-N 3.01Å; A195-A198 PolarHBondContact O-N 3.24Å; A195-N199 WeakPolarHBondContact O-CB 3.41Å; A195-N199 VanDerWaalsContact O-CG 3.25Å; A195-N199 PolarHBondContact O-N 3.02Å; A195-N199 PolarHBondContact O-ND2 3.17Å
196	L	93.4	Very high	92.4	Very high	128 Å²	128	98.2 Å²	98.2	67%	0.67	50%	0.504	S	S	*	.	H	α-helix	trans	-65.2	-42	176.6	-164	145.1	0	0	0	111.4	A192 E193 N199 R200	A192-L196 PolarHBondContact O-N 3.41Å; E193-L196 PolarHBondContact O-N 3.22Å; L196-N199 PolarHBondContact O-N 2.88Å; L196-R200 PolarHBondContact O-N 2.94Å
197	E	91.4	Very high	92.1	Very high	97 Å²	97	99.8 Å²	99.8	45%	0.453	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-41.9	174.5	-163.8	172.7	-157.5	0	0	111.9	E193 K194 R200 L201	E193-E197 PolarHBondContact O-N 3.46Å; K194-E197 IonicContact NZ-OE2 3.32Å; K194-E197 PolarHBondContact NZ-OE2 2.85Å; K194-E197 PolarHBondContact O-N 2.92Å; E197-R200 PolarHBondContact O-N 3.41Å; E197-L201 PolarHBondContact O-N 3.21Å
198	A	90.7	Very high	91.8	Very high	43 Å²	43	99.2 Å²	99.2	36%	0.355	50%	0.5	S	S	.	.	H	α-helix	trans	-64	-42.8	174.9	0	0	0	0	0	112.5	K194 A195 R200 L201 N202	K194-A198 WeakPolarHBondContact O-CB 3.44Å; K194-A198 PolarHBondContact O-N 2.87Å; A195-A198 PolarHBondContact O-N 3.24Å; A198-R200 VanDerWaalsContact C-N 3.32Å; A198-R200 PolarHBondContact O-N 3.42Å; A198-L201 PolarHBondContact O-N 2.78Å; A198-N202 WeakPolarHBondContact O-CB 3.44Å; A198-N202 VanDerWaalsContact O-CG 3.29Å; A198-N202 PolarHBondContact O-N 2.83Å; A198-N202 PolarHBondContact O-ND2 2.93Å
199	N	92.4	Very high	91.4	Very high	109 Å²	109	99.4 Å²	99.4	58%	0.583	50%	0.499	S	S	*	.	H	α-helix	trans	-62.8	-39.7	176.6	-74.2	-21.7	0	0	0	111.9	A195 L196 N202 A203	A195-N199 WeakPolarHBondContact O-CB 3.41Å; A195-N199 VanDerWaalsContact O-CG 3.25Å; A195-N199 PolarHBondContact O-N 3.02Å; A195-N199 PolarHBondContact O-ND2 3.17Å; L196-N199 PolarHBondContact O-N 2.88Å; N199-N202 PolarHBondContact O-N 2.89Å; N199-A203 WeakPolarHBondContact O-CB 3.46Å; N199-A203 PolarHBondContact O-N 2.8Å
200	R	93.3	Very high	91.1	Very high	170 Å²	170	99.2 Å²	99.2	64%	0.642	50%	0.498	S	S	*	.	H	α-helix	trans	-61.6	-47.8	174.7	-176.9	-179.5	175.3	154.1	-0.2	111.6	L196 E197 A198 N202 A203 E204	L196-R200 PolarHBondContact O-N 2.94Å; E197-R200 PolarHBondContact O-N 3.41Å; A198-R200 VanDerWaalsContact C-N 3.32Å; A198-R200 PolarHBondContact O-N 3.42Å; R200-N202 VanDerWaalsContact C-N 3.33Å; R200-N202 PolarHBondContact O-N 2.83Å; R200-A203 PolarHBondContact O-N 3.4Å; R200-E204 IonicContact NE-OE1 3.31Å; R200-E204 PolarHBondContact O-N 2.84Å
201	L	89.9	Confident	90.8	Very high	97 Å²	97	100.5 Å²	100.5	51%	0.508	50%	0.503	S	S	.	.	H	α-helix	trans	-61.7	-40.1	177	-77.5	167.9	0	0	0	112.2	E197 A198 E204 N205	E197-L201 PolarHBondContact O-N 3.21Å; A198-L201 PolarHBondContact O-N 2.78Å; L201-E204 PolarHBondContact O-N 2.83Å; L201-N205 WeakPolarHBondContact O-CB 3.45Å; L201-N205 PolarHBondContact O-N 2.88Å
202	N	89.7	Confident	90.5	Very high	97 Å²	97	104 Å²	104	52%	0.519	51%	0.51	S	S	.	.	H	α-helix	trans	-63.7	-42.3	175.8	-73.9	-20.1	0	0	0	111.9	A198 N199 R200 E204 N205 E206	A198-N202 WeakPolarHBondContact O-CB 3.44Å; A198-N202 VanDerWaalsContact O-CG 3.29Å; A198-N202 PolarHBondContact O-N 2.83Å; A198-N202 PolarHBondContact O-ND2 2.93Å; N199-N202 PolarHBondContact O-N 2.89Å; R200-N202 VanDerWaalsContact C-N 3.33Å; R200-N202 PolarHBondContact O-N 2.83Å; N202-E204 VanDerWaalsContact C-N 3.34Å; N202-E204 PolarHBondContact O-N 2.86Å; N202-N205 PolarHBondContact O-N 3.47Å; N202-E206 WeakPolarHBondContact O-CB 3.47Å; N202-E206 PolarHBondContact O-N 2.88Å
203	A	91.3	Very high	90.1	Very high	46 Å²	46	107.4 Å²	107.4	38%	0.38	52%	0.516	S	S	.	.	H	α-helix	trans	-65	-36.1	177	0	0	0	0	0	112.7	N199 R200 K207	N199-A203 WeakPolarHBondContact O-CB 3.46Å; N199-A203 PolarHBondContact O-N 2.8Å; R200-A203 PolarHBondContact O-N 3.4Å; A203-K207 WeakPolarHBondContact O-CG 3.48Å; A203-K207 PolarHBondContact O-N 2.89Å; A203-K207 VanDerWaalsContact O-N 3.13Å
204	E	89.3	Confident	89.7	Confident	89 Å²	89	103.6 Å²	103.6	42%	0.416	51%	0.507	S	S	.	.	H	α-helix	trans	-66.9	-46	173	-74.5	176.2	-172	0	0	111.3	R200 L201 N202 E206 K207 D208	R200-E204 IonicContact NE-OE1 3.31Å; R200-E204 PolarHBondContact O-N 2.84Å; L201-E204 PolarHBondContact O-N 2.83Å; N202-E204 VanDerWaalsContact C-N 3.34Å; N202-E204 PolarHBondContact O-N 2.86Å; E204-E206 VanDerWaalsContact C-N 3.32Å; E204-E206 PolarHBondContact O-N 2.89Å; E204-K207 WeakPolarHBondContact O-CB 3.37Å; E204-K207 PolarHBondContact O-N 3.02Å; E204-D208 PolarHBondContact O-N 3.2Å
205	N	87.9	Confident	89.4	Confident	98 Å²	98	105.9 Å²	105.9	52%	0.524	52%	0.517	S	S	.	.	H	α-helix	trans	-60.5	-38.5	174.6	-82.8	-19.6	0	0	0	112.7	L201 N202 D208 T209	L201-N205 WeakPolarHBondContact O-CB 3.45Å; L201-N205 PolarHBondContact O-N 2.88Å; N202-N205 PolarHBondContact O-N 3.47Å; N205-D208 PolarHBondContact O-N 2.81Å; N205-T209 WeakPolarHBondContact O-CB 3.38Å; N205-T209 WeakPolarHBondContact O-CG2 3.31Å; N205-T209 PolarHBondContact O-N 3.28Å; N205-T209 PolarHBondContact O-OG1 2.97Å
206	E	89.8	Confident	88.9	Confident	101 Å²	101	108.7 Å²	108.7	47%	0.472	53%	0.525	S	S	.	.	H	α-helix	trans	-66.7	-38.5	177.2	-160.1	-174.9	169.7	0	0	111.5	N202 E204 T209 R210	N202-E206 WeakPolarHBondContact O-CB 3.47Å; N202-E206 PolarHBondContact O-N 2.88Å; E204-E206 VanDerWaalsContact C-N 3.32Å; E204-E206 PolarHBondContact O-N 2.89Å; E206-T209 VanDerWaalsContact CA-OG1 3.26Å; E206-T209 WeakPolarHBondContact CA-OG1 3.29Å; E206-T209 PolarHBondContact O-OG1 2.9Å; E206-R210 WeakPolarHBondContact O-CB 3.24Å; E206-R210 VanDerWaalsContact O-CG 3.3Å; E206-R210 WeakPolarHBondContact O-CG 3.42Å; E206-R210 PolarHBondContact O-N 3.34Å; E206-R210 IonicContact OE1-CZ 3.41Å; E206-R210 IonicContact OE1-NE 2.77Å; E206-R210 IonicContact OE1-NH2 3.39Å; E206-R210 PolarHBondContact OE1-NH2 3.01Å
207	K	90.1	Very high	88.3	Confident	136 Å²	136	109.4 Å²	109.4	59%	0.591	53%	0.525	S	S	*	.	H	α-helix	trans	-63.5	-43.4	172.6	-75.4	175.8	-179.2	177.4	0	111.7	A203 E204 R210 R211	A203-K207 WeakPolarHBondContact O-CG 3.48Å; A203-K207 PolarHBondContact O-N 2.89Å; A203-K207 VanDerWaalsContact O-N 3.13Å; E204-K207 WeakPolarHBondContact O-CB 3.37Å; E204-K207 PolarHBondContact O-N 3.02Å; K207-R210 PolarHBondContact O-N 3.41Å; K207-R211 WeakPolarHBondContact O-CG 3.46Å; K207-R211 PolarHBondContact O-N 2.87Å
208	D	87.6	Confident	87.9	Confident	65 Å²	65	111.3 Å²	111.3	35%	0.348	53%	0.532	S	S	.	.	H	α-helix	trans	-69.7	-37.2	-179.5	-80.5	-10.4	0	0	0	112.6	E204 N205 R211 R212	E204-D208 PolarHBondContact O-N 3.2Å; N205-D208 PolarHBondContact O-N 2.81Å; D208-R211 PolarHBondContact O-N 2.94Å; D208-R211 IonicContact OD1-NH1 2.65Å; D208-R211 PolarHBondContact OD1-NH1 3.28Å; D208-R212 WeakPolarHBondContact O-CG 3.29Å; D208-R212 PolarHBondContact O-N 2.88Å
209	T	87.3	Confident	87.4	Confident	66 Å²	66	113.4 Å²	113.4	41%	0.405	54%	0.537	S	S	.	.	H	α-helix	trans	-65.8	-42.7	173	47.5	0	0	0	0	111.8	N205 E206 R211 R212 Q213	N205-T209 WeakPolarHBondContact O-CB 3.38Å; N205-T209 WeakPolarHBondContact O-CG2 3.31Å; N205-T209 PolarHBondContact O-N 3.28Å; N205-T209 PolarHBondContact O-OG1 2.97Å; E206-T209 VanDerWaalsContact CA-OG1 3.26Å; E206-T209 WeakPolarHBondContact CA-OG1 3.29Å; E206-T209 PolarHBondContact O-OG1 2.9Å; T209-R211 VanDerWaalsContact C-N 3.34Å; T209-R211 PolarHBondContact O-N 2.94Å; T209-R212 PolarHBondContact O-N 3.16Å; T209-Q213 WeakPolarHBondContact O-CG 3.03Å; T209-Q213 PolarHBondContact O-N 3.14Å
210	R	87.7	Confident	86.6	Confident	147 Å²	147	113.6 Å²	113.6	56%	0.555	54%	0.537	S	S	*	.	H	α-helix	trans	-60	-41.8	172.5	-74.2	-179.7	-167.4	173.5	4.8	112.4	E206 K207 R212 Q213 A214	E206-R210 WeakPolarHBondContact O-CB 3.24Å; E206-R210 VanDerWaalsContact O-CG 3.3Å; E206-R210 WeakPolarHBondContact O-CG 3.42Å; E206-R210 PolarHBondContact O-N 3.34Å; E206-R210 IonicContact OE1-CZ 3.41Å; E206-R210 IonicContact OE1-NE 2.77Å; E206-R210 IonicContact OE1-NH2 3.39Å; E206-R210 PolarHBondContact OE1-NH2 3.01Å; K207-R210 PolarHBondContact O-N 3.41Å; R210-R212 PolarHBondContact O-N 3.31Å; R210-Q213 PolarHBondContact O-N 3.34Å; R210-A214 WeakPolarHBondContact O-CB 3.4Å; R210-A214 PolarHBondContact O-N 3Å
211	R	88.5	Confident	85.8	Confident	174 Å²	174	108.1 Å²	108.1	66%	0.657	53%	0.529	S	S	*	.	H	α-helix	trans	-60.2	-44.5	174.5	-76.2	170	173.2	175.7	-6.3	111.8	K207 D208 T209 K215	K207-R211 WeakPolarHBondContact O-CG 3.46Å; K207-R211 PolarHBondContact O-N 2.87Å; D208-R211 PolarHBondContact O-N 2.94Å; D208-R211 IonicContact OD1-NH1 2.65Å; D208-R211 PolarHBondContact OD1-NH1 3.28Å; T209-R211 VanDerWaalsContact C-N 3.34Å; T209-R211 PolarHBondContact O-N 2.94Å; R211-K215 WeakPolarHBondContact O-CB 3.45Å; R211-K215 PolarHBondContact O-N 3Å
212	R	87	Confident	85	Confident	180 Å²	180	107.2 Å²	107.2	68%	0.679	52%	0.524	S	S	*	.	H	α-helix	trans	-64.3	-44.7	176.8	-71.6	177.9	-168.3	177	5.3	111.8	D208 T209 R210 K215 L216	D208-R212 WeakPolarHBondContact O-CG 3.29Å; D208-R212 PolarHBondContact O-N 2.88Å; T209-R212 PolarHBondContact O-N 3.16Å; R210-R212 PolarHBondContact O-N 3.31Å; R212-K215 PolarHBondContact O-N 2.85Å; R212-L216 WeakPolarHBondContact O-CB 3.43Å; R212-L216 PolarHBondContact O-N 2.97Å
213	Q	84.8	Confident	84	Confident	134 Å²	134	105.5 Å²	105.5	63%	0.626	52%	0.524	S	S	*	.	H	α-helix	trans	-61.5	-45	176.6	-77.7	-179.9	-13.8	0	0	112	T209 R210 K215 L216 Q217	T209-Q213 WeakPolarHBondContact O-CG 3.03Å; T209-Q213 PolarHBondContact O-N 3.14Å; R210-Q213 PolarHBondContact O-N 3.34Å; Q213-K215 VanDerWaalsContact C-N 3.31Å; Q213-K215 PolarHBondContact O-N 2.87Å; Q213-L216 PolarHBondContact O-N 3.28Å; Q213-Q217 WeakPolarHBondContact O-CB 3.28Å; Q213-Q217 PolarHBondContact O-N 3.36Å
214	A	85.8	Confident	82.5	Confident	56 Å²	56	107.4 Å²	107.4	46%	0.463	54%	0.539	S	S	.	.	H	α-helix	trans	-62.8	-38	176.8	0	0	0	0	0	112.2	R210 Q217 K218	R210-A214 WeakPolarHBondContact O-CB 3.4Å; R210-A214 PolarHBondContact O-N 3Å; A214-Q217 PolarHBondContact O-N 2.87Å; A214-K218 WeakPolarHBondContact O-CB 3.3Å; A214-K218 PolarHBondContact O-N 3.19Å
215	K	85.9	Confident	81.3	Confident	141 Å²	141	111 Å²	111	61%	0.613	55%	0.554	S	S	*	*	H	α-helix	trans	-63.6	-48.7	173.7	-169.6	-179.2	177.7	-176.8	0	111.2	R211 R212 Q213 Q217 K218 D219	R211-K215 WeakPolarHBondContact O-CB 3.45Å; R211-K215 PolarHBondContact O-N 3Å; R212-K215 PolarHBondContact O-N 2.85Å; Q213-K215 VanDerWaalsContact C-N 3.31Å; Q213-K215 PolarHBondContact O-N 2.87Å; K215-Q217 VanDerWaalsContact C-N 3.31Å; K215-Q217 PolarHBondContact O-N 2.94Å; K215-K218 WeakPolarHBondContact O-CB 3.38Å; K215-K218 PolarHBondContact O-N 3.05Å; K215-D219 PolarHBondContact O-N 3.43Å
216	L	82.5	Confident	79.6	Confident	108 Å²	108	113.6 Å²	113.6	57%	0.565	56%	0.562	S	S	*	*	H	α-helix	trans	-59.1	-41	176.8	-120.1	149.3	0	0	0	112.3	R212 Q213 D219 L220	R212-L216 WeakPolarHBondContact O-CB 3.43Å; R212-L216 PolarHBondContact O-N 2.97Å; Q213-L216 PolarHBondContact O-N 3.28Å; L216-D219 PolarHBondContact O-N 2.96Å; L216-L220 HydrophobicContact CD2-CD1 4.34Å; L216-L220 WeakPolarHBondContact O-CB 3.49Å; L216-L220 WeakPolarHBondContact O-CG 3.3Å; L216-L220 PolarHBondContact O-N 3.41Å
217	Q	81.1	Confident	77.7	Confident	144 Å²	144	114.8 Å²	114.8	67%	0.673	58%	0.579	S	S	*	*	H	α-helix	trans	-68.1	-36.6	178	-165.6	178	13.4	0	0	111.9	Q213 A214 K215 A221	Q213-Q217 WeakPolarHBondContact O-CB 3.28Å; Q213-Q217 PolarHBondContact O-N 3.36Å; A214-Q217 PolarHBondContact O-N 2.87Å; K215-Q217 VanDerWaalsContact C-N 3.31Å; K215-Q217 PolarHBondContact O-N 2.94Å; Q217-A221 WeakPolarHBondContact O-CB 3.46Å; Q217-A221 PolarHBondContact O-N 3.08Å
218	K	83.9	Confident	75.9	Confident	137 Å²	137	115.8 Å²	115.8	60%	0.596	59%	0.59	S	S	*	*	H	α-helix	trans	-65.1	-47.4	171.8	-173.4	-173.8	174.9	-172.8	0	111.2	A214 K215 L220 A221 D222	A214-K218 WeakPolarHBondContact O-CB 3.3Å; A214-K218 PolarHBondContact O-N 3.19Å; K215-K218 WeakPolarHBondContact O-CB 3.38Å; K215-K218 PolarHBondContact O-N 3.05Å; K218-L220 VanDerWaalsContact C-N 3.3Å; K218-L220 PolarHBondContact O-N 3.42Å; K218-A221 PolarHBondContact O-N 2.59Å; K218-A221 VanDerWaalsContact O-N 3.12Å; K218-D222 PolarHBondContact O-N 3.16Å
219	D	79.8	Confident	74	Confident	86 Å²	86	118.6 Å²	118.6	46%	0.46	61%	0.612	S	S	.	*	H	α-helix	trans	-62	-38.7	179.7	-62.7	-16.5	0	0	0	111	K215 L216 D222 A223	K215-D219 PolarHBondContact O-N 3.43Å; L216-D219 PolarHBondContact O-N 2.96Å; D219-D222 PolarHBondContact O-N 2.83Å; D219-A223 WeakPolarHBondContact O-CB 3.37Å; D219-A223 PolarHBondContact O-N 2.56Å
220	L	76	Confident	71.8	Confident	114 Å²	114	122.8 Å²	122.8	60%	0.597	63%	0.63	S	S	*	*	H	α-helix	trans	-65.2	-40.1	172.2	-82.4	163.5	0	0	0	113	L216 K218 A223 A224	L216-L220 HydrophobicContact CD2-CD1 4.34Å; L216-L220 WeakPolarHBondContact O-CB 3.49Å; L216-L220 WeakPolarHBondContact O-CG 3.3Å; L216-L220 PolarHBondContact O-N 3.41Å; K218-L220 VanDerWaalsContact C-N 3.3Å; K218-L220 PolarHBondContact O-N 3.42Å; L220-A223 PolarHBondContact O-N 2.88Å; L220-A224 WeakPolarHBondContact O-CB 3.49Å; L220-A224 PolarHBondContact O-N 2.89Å
221	A	75.3	Confident	69.5	Low	55 Å²	55	125 Å²	125	46%	0.455	65%	0.647	S	S	.	*	H	α-helix	trans	-70.2	-32.6	177.7	0	0	0	0	0	112.5	Q217 K218	Q217-A221 WeakPolarHBondContact O-CB 3.46Å; Q217-A221 PolarHBondContact O-N 3.08Å; K218-A221 PolarHBondContact O-N 2.59Å; K218-A221 VanDerWaalsContact O-N 3.12Å
222	D	74.1	Confident	67.1	Low	77 Å²	77	124.9 Å²	124.9	41%	0.412	65%	0.654	S	S	.	*	H	α-helix	trans	-72.1	-39.4	172.4	-75.6	-22.1	0	0	0	110.8	K218 D219 A224 K225	K218-D222 PolarHBondContact O-N 3.16Å; D219-D222 PolarHBondContact O-N 2.83Å; D222-A224 VanDerWaalsContact C-N 3.31Å; D222-A224 PolarHBondContact O-N 3.43Å; D222-K225 PolarHBondContact O-N 3.27Å
223	A	68.1	Low	64.9	Low	62 Å²	62	122.9 Å²	122.9	51%	0.512	66%	0.656	S	S	.	*	H	α-helix	trans	-63.6	-32.9	173	0	0	0	0	0	113.2	D219 L220 K225 E226	D219-A223 WeakPolarHBondContact O-CB 3.37Å; D219-A223 PolarHBondContact O-N 2.56Å; L220-A223 PolarHBondContact O-N 2.88Å; A223-K225 PolarHBondContact O-N 2.78Å; A223-E226 PolarHBondContact O-N 2.75Å
224	A	61.2	Low	62.6	Low	86 Å²	86	123.6 Å²	123.6	71%	0.711	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-6.4	177	0	0	0	0	0	114.5	L220 D222	L220-A224 WeakPolarHBondContact O-CB 3.49Å; L220-A224 PolarHBondContact O-N 2.89Å; D222-A224 VanDerWaalsContact C-N 3.31Å; D222-A224 PolarHBondContact O-N 3.43Å
225	K	63.1	Low	60.4	Low	164 Å²	164	127.2 Å²	127.2	71%	0.713	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-8	174.9	-75.7	175.2	-177.7	162.9	0	113.8	D222 A223 P227	D222-K225 PolarHBondContact O-N 3.27Å; A223-K225 PolarHBondContact O-N 2.78Å; K225-P227 WeakPolarHBondContact O-CD 3.43Å
226	E	53.1	Low	58.2	Low	152 Å²	152	126.9 Å²	126.9	71%	0.71	68%	0.68	S	S	*	*	S	Bend	trans	-85.1	120.5	175	-74.4	-172.1	151	0	0	110.3	A223 L228	A223-E226 PolarHBondContact O-N 2.75Å; E226-L228 PolarHBondContact O-N 3.39Å
227	P	49.7	Very low	56	Low	127 Å²	127	130.1 Å²	130.1	83%	0.825	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-76.1	123.8	173.8	28.3	-29.1	0	0	0	110	K225	K225-P227 WeakPolarHBondContact O-CD 3.43Å
228	L	52.9	Low	53.9	Low	157 Å²	157	128.9 Å²	128.9	82%	0.822	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-91.1	138.2	171.8	-74.2	165.4	0	0	0	110.8	E226	E226-L228 PolarHBondContact O-N 3.39Å
229	P	45.8	Very low	51.4	Low	124 Å²	124	130.1 Å²	130.1	81%	0.805	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-77.9	139.9	173.7	31.5	-30.8	0	0	0	111
230	I	42.1	Very low	49.3	Very low	153 Å²	153	130.6 Å²	130.6	79%	0.785	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-101.3	121.4	177.6	-61.7	167.2	0	0	0	108
231	E	38.5	Very low	47.7	Very low	195 Å²	195	134 Å²	134	91%	0.911	74%	0.735	S	S	*	*			trans	-108.4	136.5	157.2	-74.2	-170.5	164.1	0	0	108.8
232	Q	38	Very low	45.7	Very low	171 Å²	171	139.1 Å²	139.1	80%	0.799	76%	0.755	S	S	*	*			trans	-86.6	139.5	-175.6	-79.2	174.4	-31.6	0	0	111.5
233	D	40.9	Very low	43.7	Very low	137 Å²	137	138.5 Å²	138.5	73%	0.733	77%	0.767	S	S	*	*			trans	44.7	131.6	146.8	-58.8	-24.5	0	0	0	120.6
234	D	36.9	Very low	42	Very low	149 Å²	149	139.3 Å²	139.3	80%	0.797	78%	0.781	S	S	*	*				-171.1	122.4	115.4	-88	-20.2	0	0	0	111.8
235	D	39.1	Very low	40.6	Very low	132 Å²	132	145.7 Å²	145.7	71%	0.706	79%	0.793	S	S	*	*			trans	55.7	115.4	134.7	-67.1	-14.4	0	0	0	126.3
236	I	40.8	Very low	39	Very low	135 Å²	135	141.1 Å²	141.1	69%	0.692	79%	0.793	S	S	*	*				55.6	138.3	124.4	-33.9	175.6	0	0	0	122.3
237	E	35.9	Very low	37.9	Very low	176 Å²	176	139.3 Å²	139.3	82%	0.822	80%	0.803	S	S	*	*			trans	119.4	107.3	143.5	-67.3	-163.2	163.5	0	0	114.6
238	V	36.3	Very low	36.9	Very low	117 Å²	117	136.3 Å²	136.3	71%	0.709	80%	0.795	S	S	*	*				81.5	106.9	66.2	174.3	0	0	0	0	112.6
239	L	33.2	Very low	35.8	Very low	163 Å²	163	137.6 Å²	137.6	85%	0.853	80%	0.797	S	S	*	*			trans	104.7	124.6	147.3	-67.9	164.5	0	0	0	122.8
240	A	34	Very low	35	Very low	97 Å²	97	137.5 Å²	137.5	80%	0.802	79%	0.794	S	S	*	*				90.9	140.3	127.9	0	0	0	0	0	121.4
241	E	43.1	Very low	34.7	Very low	186 Å²	186	135.7 Å²	135.7	87%	0.869	80%	0.795	S	S	*	*			trans	-55.6	161.6	179.8	-53.8	173.3	144.5	0	0	112.4
242	D	33	Very low	35.2	Very low	161 Å²	161	131.6 Å²	131.6	86%	0.861	79%	0.786	S	S	*	*				174.6	167.1	57.5	-170.1	9	0	0	0	108.6
243	G	31.6	Very low	34.8	Very low	65 Å²	65	131.1 Å²	131.1	67%	0.67	79%	0.789	S	S	*	*			trans	84	89.7	144.4	0	0	0	0	0	122.5
244	G	32	Very low	34.3	Very low	78 Å²	78	134.8 Å²	134.8	80%	0.804	79%	0.792	S	S	*	*				68.6	124.6	114.4	0	0	0	0	0	124.5
245	K	32.9	Very low	34.6	Very low	220 Å²	220	132.7 Å²	132.7	96%	0.957	79%	0.787	S	S	*	*			trans	90.9	134	138.7	-71.1	-174.2	176.6	177.3	0	122.2
246	G	30.1	Very low	34.4	Very low	69 Å²	69	133.3 Å²	133.3	71%	0.711	79%	0.788	S	S	*	*			trans	116.2	100.4	146.2	0	0	0	0	0	113.9
247	A	28.8	Very low	33.9	Very low	113 Å²	113	131.4 Å²	131.4	93%	0.934	79%	0.787	S	S	*	*				64.3	128.2	93.5	0	0	0	0	0	112.4
248	G	28.9	Very low	33.6	Very low	64 Å²	64	134 Å²	134	66%	0.66	79%	0.79	S	S	*	*			cis	174	-178.5	6.9	0	0	0	0	0	106.9
249	E	29	Very low	33.2	Very low	185 Å²	185	134.5 Å²	134.5	86%	0.864	79%	0.793	S	S	*	*			trans	72	138.7	158.7	-61.6	-173.4	175.7	0	0	116.4
250	T	29.9	Very low	32.9	Very low	121 Å²	121	131.4 Å²	131.4	74%	0.742	79%	0.791	S	S	*	*			cis	-167.3	142.5	8.2	22.8	0	0	0	0	107.5
251	S	36.3	Very low	32.6	Very low	115 Å²	115	132 Å²	132	80%	0.804	79%	0.789	S	S	*	*			trans	-75.5	157.9	154.9	-62.9	0	0	0	0	110
252	P	48.2	Very low	31.9	Very low	109 Å²	109	134 Å²	134	71%	0.708	79%	0.789	S	S	*	*				-141.1	163.3	115	21.4	0.4	0	0	0	111.1
253	N	30.2	Very low	31.7	Very low	161 Å²	161	135 Å²	135	86%	0.861	79%	0.785	S	S	*	*			cis	-161.2	148.5	26.3	-117.5	-18.7	0	0	0	111.3
254	R	30.6	Very low	31.4	Very low	215 Å²	215	138.9 Å²	138.9	81%	0.811	80%	0.796	S	S	*	*			trans	-78.8	178.5	164.4	-113.5	-179.4	179.6	178.7	1.1	110.2
255	P	41.9	Very low	31.3	Very low	105 Å²	105	140.2 Å²	140.2	68%	0.682	79%	0.793	S	S	*	*			cis	-144.4	150.3	35.3	27.2	0.1	0	0	0	118.7
256	I	36	Very low	31.1	Very low	144 Å²	144	137.8 Å²	137.8	74%	0.738	79%	0.786	S	S	*	*				76.5	124.5	111.3	-58.9	169.2	0	0	0	114.2
257	S	29.2	Very low	30.9	Very low	96 Å²	96	142.6 Å²	142.6	67%	0.671	79%	0.789	S	S	*	*			cis	-156.2	143.9	49.1	58.7	0	0	0	0	116.4
258	R	30.8	Very low	31.7	Very low	231 Å²	231	142 Å²	142	87%	0.872	78%	0.776	S	S	*	*			trans	48.7	136	135.8	-63.7	-177.1	176.5	178.3	-0.7	119.5
259	T	26.4	Very low	31.6	Very low	126 Å²	126	148.1 Å²	148.1	77%	0.773	79%	0.788	S	S	*	*			cis	-173.1	152.3	10.3	16.2	0	0	0	0	109.2
260	A	27.7	Very low	31.5	Very low	99 Å²	99	143 Å²	143	82%	0.818	78%	0.784	S	S	*	*			trans	65.4	140.4	156.6	0	0	0	0	0	118.7
261	S	28.5	Very low	31.4	Very low	109 Å²	109	140.8 Å²	140.8	76%	0.762	79%	0.785	S	S	*	*			cis	-168.9	161.5	5.3	49.6	0	0	0	0	111.2
262	R	27.6	Very low	31.1	Very low	228 Å²	228	143.7 Å²	143.7	86%	0.86	79%	0.791	S	S	*	*			trans	93.8	125.5	143.8	-126.7	178	-175.7	-179.8	1.9	121.6
263	K	28.3	Very low	30.5	Very low	182 Å²	182	146.5 Å²	146.5	79%	0.791	80%	0.799	S	S	*	*			trans	114.8	126.3	138.2	-72	-171.4	177.1	179.4	0	116.9
264	T	26.1	Very low	30.5	Very low	146 Å²	146	146.1 Å²	146.1	90%	0.896	80%	0.797	S	S	*	*			trans	-149.9	128.2	145.4	41.8	0	0	0	0	111.1
265	S	30	Very low	30.6	Very low	106 Å²	106	141.7 Å²	141.7	74%	0.741	80%	0.799	S	S	*	*			trans	-83.8	163.4	155.4	46.9	0	0	0	0	108.9
266	Q	29.6	Very low	30.2	Very low	170 Å²	170	144.7 Å²	144.7	79%	0.794	81%	0.808	S	S	*	*			cis	-169.8	151.2	8.6	-124.8	175.3	6	0	0	108.7
267	Q	25.2	Very low	30	Very low	170 Å²	170	143 Å²	143	79%	0.794	81%	0.809	S	S	*	*			trans	64.9	163.5	148.6	-78.5	-166.2	-5.7	0	0	122.4
268	P	44.5	Very low	30.1	Very low	101 Å²	101	146.1 Å²	146.1	66%	0.656	82%	0.818	S	S	*	*			cis	-139.2	-177.8	-42.2	36.8	-17.8	0	0	0	114.8
269	Q	27.2	Very low	30.2	Very low	192 Å²	192	142.7 Å²	142.7	90%	0.897	82%	0.815	S	S	*	*			trans	97.4	131.8	158.9	-58.1	-152.8	0.7	0	0	120.7
270	G	26.8	Very low	30.4	Very low	77 Å²	77	147 Å²	147	79%	0.794	82%	0.823	S	S	*	*			trans	109.6	95.4	132.8	0	0	0	0	0	118.3
271	G	27.3	Very low	30.4	Very low	74 Å²	74	145.7 Å²	145.7	76%	0.763	82%	0.819	S	S	*	*			trans	78.2	114.6	139.4	0	0	0	0	0	119.1
272	L	31.4	Very low	30.4	Very low	176 Å²	176	152.8 Å²	152.8	92%	0.921	83%	0.829	S	S	*	*			trans	-145	97.8	156.4	-83.6	173.4	0	0	0	109.7
273	L	34.1	Very low	30.5	Very low	169 Å²	169	152.8 Å²	152.8	89%	0.885	83%	0.829	S	S	*	*			trans	-128.7	2.1	168.1	-110.9	179.9	0	0	0	115
274	D	31.2	Very low	30.6	Very low	152 Å²	152	155.6 Å²	155.6	81%	0.813	84%	0.835	S	S	*	*			trans	-125.8	107.4	-178.3	-81	-35.1	0	0	0	111.5
275	S	32.9	Very low	30.6	Very low	123 Å²	123	154.9 Å²	154.9	86%	0.86	84%	0.836	S	S	*	*			trans	-179.8	62.9	147.5	-81.9	0	0	0	0	112.1
276	I	33.8	Very low	30.6	Very low	168 Å²	168	153.7 Å²	153.7	86%	0.862	83%	0.833	S	S	*	*			trans	-129.7	82.8	150.7	-56.6	179.8	0	0	0	106.7
277	S	31.4	Very low	30.5	Very low	108 Å²	108	153.1 Å²	153.1	76%	0.755	84%	0.835	S	S	*	*			trans	-154.5	104.4	168	-76.1	0	0	0	0	106.7
278	N	30.5	Very low	30.7	Very low	162 Å²	162	149.3 Å²	149.3	87%	0.866	83%	0.827	S	S	*	*			trans	154.1	71.1	153.4	-76.8	-19.8	0	0	0	110.7
279	I	34.4	Very low	30	Very low	159 Å²	159	154.4 Å²	154.4	82%	0.815	84%	0.839	S	S	*	*			trans	-128.4	49.7	162.1	-51.6	-179.4	0	0	0	108.9
280	F	29.4	Very low	30.1	Very low	216 Å²	216	149.1 Å²	149.1	95%	0.947	84%	0.836	S	S	*	*			trans	-147	116.5	161.8	-89.7	-75.7	0	0	0	110.7
281	G	28.2	Very low	30.2	Very low	71 Å²	71	152.2 Å²	152.2	73%	0.732	84%	0.84	S	S	*	*			trans	114.6	101	157.2	0	0	0	0	0	115.6
282	R	29.3	Very low	30.3	Very low	258 Å²	258	153.9 Å²	153.9	97%	0.974	84%	0.84	S	S	*	*				179.3	149.4	105.2	-97.4	178	176.4	-139	0.6	112.8
283	R	29.7	Very low	30.5	Very low	228 Å²	228	151.8 Å²	151.8	86%	0.86	84%	0.837	S	S	*	*			trans	-71	151	-178.8	-74.6	173.6	166.3	-179.6	-4.4	113.8
284	R	29.7	Very low	30.2	Very low	242 Å²	242	151.7 Å²	151.7	91%	0.913	83%	0.832	S	S	*	*			trans	56	123	141.5	-73.3	-176.3	172.9	-179.9	-3	120.3
285	S	25.5	Very low	30.3	Very low	130 Å²	130	151.1 Å²	151.1	91%	0.909	83%	0.834	S	S	*	*				-171.7	166.2	112.2	-161.9	0	0	0	0	111.3
286	A	30.2	Very low	30.4	Very low	82 Å²	82	151.2 Å²	151.2	68%	0.678	83%	0.83	S	S	*	*			trans	-99.6	-179	-148	0	0	0	0	0	117.9
287	N	29	Very low	30.2	Very low	158 Å²	158	151.1 Å²	151.1	85%	0.845	83%	0.826	S	S	*	*			trans	95.9	135.7	169.6	-64.2	-1.2	0	0	0	116
288	S	29	Very low	30.2	Very low	89 Å²	89	150.8 Å²	150.8	62%	0.622	82%	0.821	S	S	*	*			cis	-178.3	149	-8.8	51.2	0	0	0	0	109.6
289	F	29.4	Very low	30.3	Very low	208 Å²	208	149.6 Å²	149.6	91%	0.912	82%	0.822	S	S	*	*			trans	84.8	122.4	160.2	-70.9	-76.5	0	0	0	122.1
290	G	28.9	Very low	30.2	Very low	81 Å²	81	146.3 Å²	146.3	84%	0.835	81%	0.813	S	S	*	*			trans	152.9	80.6	162.8	0	0	0	0	0	113.2
291	T	28.5	Very low	30.6	Very low	143 Å²	143	140.3 Å²	140.3	88%	0.877	81%	0.812	S	S	*	*			trans	-83.6	132.7	-172.3	43.4	0	0	0	0	115.2
292	S	28.9	Very low	30.8	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	81%	0.806	S	S	*	*			trans	-146.9	147	142.8	67.5	0	0	0	0	109	E294	S292-E294 PolarHBondContact O-N 3.41Å
293	P	37.5	Very low	31.5	Very low	132 Å²	132	131.4 Å²	131.4	86%	0.857	79%	0.787	S	S	*	*			trans	-88.8	99.1	-166.1	33.5	-29	0	0	0	110.6
294	E	28	Very low	32.9	Very low	168 Å²	168	122.4 Å²	122.4	79%	0.785	76%	0.761	S	S	*	*			trans	-101	107.6	162.4	-142.8	173.5	-166.5	0	0	107.1	S292 T296	S292-E294 PolarHBondContact O-N 3.41Å; E294-T296 VanDerWaalsContact C-N 3.29Å; E294-T296 PolarHBondContact O-N 3.28Å; E294-T296 PolarHBondContact O-OG1 3.15Å
295	T	32.4	Very low	34.9	Very low	139 Å²	139	118.8 Å²	118.8	85%	0.853	75%	0.754	S	S	*	*			trans	-62.8	90.8	174.6	40.6	0	0	0	0	109.3
296	T	34.2	Very low	37.7	Very low	125 Å²	125	113.6 Å²	113.6	77%	0.767	72%	0.717	S	S	*	*			trans	-93.8	92.1	167.1	26.4	0	0	0	0	107.5	E294	E294-T296 VanDerWaalsContact C-N 3.29Å; E294-T296 PolarHBondContact O-N 3.28Å; E294-T296 PolarHBondContact O-OG1 3.15Å
297	E	30.8	Very low	40.4	Very low	167 Å²	167	114.4 Å²	114.4	78%	0.78	70%	0.702	S	S	*	*			trans	-74.6	141.1	159.3	-72.8	-163	157.7	0	0	109.2
298	P	30.2	Very low	43.4	Very low	100 Å²	100	107.9 Å²	107.9	65%	0.649	67%	0.668	S	S	*	*			trans	-67.1	160.6	173	30.9	-33.9	0	0	0	109.9	S300	P298-S300 PolarHBondContact O-N 3.46Å
299	P	33.3	Very low	46.4	Very low	137 Å²	137	103.7 Å²	103.7	89%	0.89	64%	0.639	S	S	*	*			trans	-72.1	83.6	170.7	30.9	-30.9	0	0	0	108.3	G301	P299-G301 PolarHBondContact O-N 2.86Å
300	S	33.1	Very low	49.3	Very low	91 Å²	91	97.1 Å²	97.1	64%	0.636	62%	0.616	S	S	*	*			trans	-65.9	116.7	160.8	41.6	0	0	0	0	107.6	P298 G302	P298-S300 PolarHBondContact O-N 3.46Å; S300-G302 PolarHBondContact O-N 3.01Å
301	G	37.2	Very low	52.3	Low	90 Å²	90	96.2 Å²	96.2	93%	0.928	59%	0.594	S	S	*	*			trans	-66.1	63.9	167.6	0	0	0	0	0	111.6	P299	P299-G301 PolarHBondContact O-N 2.86Å
302	G	31.9	Very low	55.4	Low	58 Å²	58	91 Å²	91	60%	0.598	57%	0.565	S	S	*	*			trans	-84.6	121.8	163	0	0	0	0	0	107.7	S300 A304	S300-G302 PolarHBondContact O-N 3.01Å; G302-A304 PolarHBondContact O-N 3.09Å
303	C	44.3	Very low	58.5	Low	84 Å²	84	88.3 Å²	88.3	57%	0.568	54%	0.543	S	S	*	.			trans	-56.4	105.6	165.3	-157.7	0	0	0	0	107.1	E305 D543	C303-E305 PolarHBondContact O-N 2.84Å; C303-D543 WeakPolarHBondContact SG-CA 3.44Å; C303-D543 WeakPolarHBondContact SG-CB 3.17Å
304	A	58	Low	61.2	Low	38 Å²	38	83.9 Å²	83.9	31%	0.314	51%	0.51	S	S	.	.			trans	-61	136.8	180	0	0	0	0	0	108.5	G302 V306 S586	G302-A304 PolarHBondContact O-N 3.09Å; A304-V306 PolarHBondContact O-N 2.77Å; A304-S586 VanDerWaalsContact CB-O 3.23Å; A304-S586 WeakPolarHBondContact CB-O 3.3Å
305	E	72.4	Confident	64.4	Low	166 Å²	166	78.9 Å²	78.9	78%	0.776	49%	0.491	S	S	*	.			trans	-56	108.5	178.7	-172.8	177.6	-170.1	0	0	109.1	C303 R307	C303-E305 PolarHBondContact O-N 2.84Å; E305-R307 PolarHBondContact O-N 3.39Å
306	V	85.3	Confident	67.4	Low	21 Å²	21	73.3 Å²	73.3	13%	0.127	46%	0.455	C	S	.	.			trans	-73.1	128.2	-176.9	168.7	0	0	0	0	109.3	A304 P542 D543 Y546 W583	A304-V306 PolarHBondContact O-N 2.77Å; V306-P542 HydrophobicContact CG2-CB 4.45Å; V306-P542 HydrophobicContact CG2-CG 4.45Å; V306-D543 HydrophobicContact CB-CB 4.5Å; V306-D543 HydrophobicContact CG2-CB 3.65Å; V306-D543 WeakPolarHBondContact CG2-OD1 3.4Å; V306-Y546 HydrophobicContact CG1-CD2 3.99Å; V306-Y546 HydrophobicContact CG1-CE2 4.46Å; V306-W583 HydrophobicContact CG1-CH2 4.24Å; V306-W583 HydrophobicContact CG1-CZ2 3.54Å
307	R	86.4	Confident	70.4	Confident	99 Å²	99	73.9 Å²	73.9	37%	0.374	45%	0.449	S	S	.	.			trans	-107	122.8	179.3	-67.9	166.5	176.8	-149.3	7.2	109.3	E305 P309 W583 G587 D604	E305-R307 PolarHBondContact O-N 3.39Å; R307-P309 WeakPolarHBondContact O-CD 3.44Å; R307-W583 WeakPolarHBondContact O-CZ2 3.49Å; R307-G587 PolarHBondContact N-O 3.41Å; R307-D604 HydrophobicContact CB-CB 4.39Å; R307-D604 WeakPolarHBondContact CB-OD2 3.16Å; R307-D604 WeakPolarHBondContact CD-OD1 3.4Å; R307-D604 VanDerWaalsContact CD-OD2 3.24Å; R307-D604 WeakPolarHBondContact CD-OD2 3.33Å; R307-D604 WeakPolarHBondContact CG-OD2 3.37Å; R307-D604 IonicContact NE-OD2 3.46Å; R307-D604 IonicContact NH1-OD1 3.49Å; R307-D604 IonicContact NH1-OD2 3.4Å
308	V	91.8	Very high	73.5	Confident	22 Å²	22	66 Å²	66	13%	0.133	41%	0.412	C	S	.	.			trans	-72.4	120.2	177.1	-177.2	0	0	0	0	108.1	Y546 V558 R568	V308-Y546 HydrophobicContact CG2-CD1 4.08Å; V308-Y546 HydrophobicContact CG2-CD2 4.19Å; V308-Y546 HydrophobicContact CG2-CE1 3.55Å; V308-Y546 HydrophobicContact CG2-CE2 3.69Å; V308-Y546 HydrophobicContact CG2-CG 4.37Å; V308-V558 HydrophobicContact CG1-CG1 4.21Å; V308-R568 HydrophobicContact CG1-CB 4.34Å; V308-R568 HydrophobicContact CG1-CG 3.62Å
309	P	92.2	Very high	76.7	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.006	38%	0.382	C	S	.	.			trans	-62.6	143	-177.6	25.2	-34.6	0	0	0	111.6	R307 V558 L570 V590 W602	R307-P309 WeakPolarHBondContact O-CD 3.44Å; P309-V558 HydrophobicContact CG-CG2 4.44Å; P309-L570 HydrophobicContact CB-CD1 3.97Å; P309-L570 HydrophobicContact CG-CD1 3.82Å; P309-V590 HydrophobicContact CB-CG2 4.44Å; P309-V590 HydrophobicContact CG-CB 4.11Å; P309-V590 HydrophobicContact CG-CG2 3.74Å; P309-W602 HydrophobicContact CB-CB 3.64Å; P309-W602 HydrophobicContact CG-CB 4.45Å
310	T	90.3	Very high	79.4	Confident	70 Å²	70	61.5 Å²	61.5	43%	0.429	38%	0.375	S	S	.	.			trans	-124.1	-28	178	53.5	0	0	0	0	113.4	L570 S603 D604	T310-L570 WeakPolarHBondContact O-CD2 3.34Å; T310-S603 PolarHBondContact N-O 3Å; T310-D604 WeakPolarHBondContact OG1-CA 3.48Å
311	T	91.5	Very high	82.2	Confident	62 Å²	62	58.4 Å²	58.4	38%	0.38	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.1	-172.6	55.3	0	0	0	0	110.6	W602 S603 M605	T311-W602 VanDerWaalsContact O-CA 3.29Å; T311-W602 WeakPolarHBondContact O-CA 3.33Å; T311-S603 PolarHBondContact N-O 3.32Å; T311-S603 PolarHBondContact O-N 3.13Å; T311-S603 PolarHBondContact OG1-O 2.65Å; T311-M605 PolarHBondContact OG1-O 3.48Å
312	A	93.9	Very high	85	Confident	32 Å²	32	55.8 Å²	55.8	26%	0.264	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	114.2	168	0	0	0	0	0	108.9	V315 N573 I600 W602	A312-V315 HydrophobicContact CB-CG2 4.34Å; A312-N573 WeakPolarHBondContact CB-ND2 3.24Å; A312-I600 HydrophobicContact CB-CG2 3.74Å; A312-W602 HydrophobicContact CB-CD2 4.41Å; A312-W602 HydrophobicContact CB-CE3 3.81Å; A312-W602 HydrophobicContact CB-CH2 4.36Å; A312-W602 HydrophobicContact CB-CZ3 3.78Å
313	L	93.6	Very high	88.2	Confident	53 Å²	53	53 Å²	53	28%	0.277	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-40.4	179.2	-66.5	-169.9	0	0	0	112.4	G352 Y589 L601 M605	L313-G352 WeakPolarHBondContact CB-O 3.48Å; L313-Y589 HydrophobicContact CD1-CD1 4.22Å; L313-Y589 HydrophobicContact CD1-CE1 3.81Å; L313-L601 PolarHBondContact N-O 3.26Å; L313-M605 HydrophobicContact CD1-CE 4.24Å; L313-M605 WeakPolarHBondContact CD2-O 3.41Å
314	H	94.8	Very high	90.7	Very high	39 Å²	39	49.3 Å²	49.3	18%	0.181	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	120	-178.4	-164.2	172.2	0	0	0	110.1	R353 C354 I600 L601	H314-R353 WeakPolarHBondContact ND1-CA 3.33Å; H314-C354 PolarHBondContact CE1-O 3.25Å; H314-C354 PolarHBondContact ND1-N 3.3Å; H314-I600 WeakPolarHBondContact O-CA 3.29Å; H314-L601 HydrophobicContact CB-CB 4.3Å; H314-L601 PolarHBondContact N-O 3.01Å; H314-L601 PolarHBondContact O-N 2.98Å
315	V	95.3	Very high	92.6	Very high	63 Å²	63	47.7 Å²	47.7	38%	0.382	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.7	168.9	-178.7	0	0	0	0	107.6	A312 N573 I600	A312-V315 HydrophobicContact CB-CG2 4.34Å; V315-N573 HydrophobicContact CG2-CB 4.33Å; V315-I600 HydrophobicContact CB-CG1 4.46Å; V315-I600 HydrophobicContact CG1-CD1 4.43Å; V315-I600 HydrophobicContact CG1-CG1 4.18Å; V315-I600 HydrophobicContact CG2-CD1 4.13Å; V315-I600 HydrophobicContact CG2-CG1 4.08Å; V315-I600 HydrophobicContact CG2-CG2 4.14Å
316	F	95.8	Very high	93.9	Very high	21 Å²	21	40 Å²	40	9%	0.092	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.1	-177.9	62.8	-80.7	0	0	0	111.7	A318 L335 W347 C354 R598 A599	F316-A318 HydrophobicContact CD2-CB 4.34Å; F316-A318 HydrophobicContact CE2-CB 3.97Å; F316-A318 PolarHBondContact O-N 2.94Å; F316-L335 HydrophobicContact CZ-CD2 4.34Å; F316-W347 HydrophobicContact CD2-CD2 4.37Å; F316-W347 AromaticContact CD2-CE3 3.97Å; F316-W347 HydrophobicContact CD2-CE3 3.97Å; F316-W347 AromaticContact CD2-CH2 3.84Å; F316-W347 HydrophobicContact CD2-CH2 3.84Å; F316-W347 HydrophobicContact CD2-CZ2 4.26Å; F316-W347 AromaticContact CD2-CZ3 3.68Å; F316-W347 HydrophobicContact CD2-CZ3 3.68Å; F316-W347 AromaticContact CE2-CD2 3.57Å; F316-W347 HydrophobicContact CE2-CD2 3.57Å; F316-W347 AromaticContact CE2-CE2 3.64Å; F316-W347 AromaticContact CE2-CE3 3.61Å; F316-W347 HydrophobicContact CE2-CE3 3.61Å; F316-W347 HydrophobicContact CE2-CG 4.23Å; F316-W347 AromaticContact CE2-CH2 3.83Å; F316-W347 HydrophobicContact CE2-CH2 3.83Å; F316-W347 AromaticContact CE2-CZ2 3.81Å; F316-W347 HydrophobicContact CE2-CZ2 3.81Å; F316-W347 AromaticContact CE2-CZ3 3.73Å; F316-W347 HydrophobicContact CE2-CZ3 3.73Å; F316-W347 HydrophobicContact CZ-CD2 4.22Å; F316-W347 HydrophobicContact CZ-CE3 4.44Å; F316-W347 HydrophobicContact CZ-CG 4.44Å; F316-C354 HydrophobicContact CD1-CB 4.09Å; F316-C354 HydrophobicContact CE1-CB 3.54Å; F316-C354 HydrophobicContact CE2-CB 4.32Å; F316-C354 HydrophobicContact CZ-CB 3.66Å; F316-R598 WeakPolarHBondContact O-CA 3.42Å; F316-A599 HydrophobicContact CD1-CB 4.4Å; F316-A599 WeakPolarHBondContact CD1-O 3.3Å; F316-A599 HydrophobicContact CD2-CB 4.3Å; F316-A599 HydrophobicContact CE1-CB 3.8Å; F316-A599 HydrophobicContact CE2-CB 3.7Å; F316-A599 HydrophobicContact CZ-CB 3.42Å; F316-A599 VanDerWaalsContact CZ-CB 3.42Å; F316-A599 PolarHBondContact N-O 3.26Å; F316-A599 PolarHBondContact O-N 3.06Å
317	E	96.2	Very high	94.5	Very high	138 Å²	138	41.6 Å²	41.6	65%	0.645	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	108.9	173.2	-60.9	-160.9	144.3	0	0	109.4
318	A	96.2	Very high	95	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.008	21%	0.206	C	C	.	.			trans	-81.3	-46.9	-178.3	0	0	0	0	0	111.2	F316 V323 T337 K345 W347 S597 A599	F316-A318 HydrophobicContact CD2-CB 4.34Å; F316-A318 HydrophobicContact CE2-CB 3.97Å; F316-A318 PolarHBondContact O-N 2.94Å; A318-V323 HydrophobicContact CB-CG2 4.27Å; A318-T337 HydrophobicContact CB-CG2 4.35Å; A318-K345 WeakPolarHBondContact O-CD 3.19Å; A318-K345 WeakPolarHBondContact O-CE 3.33Å; A318-K345 PolarHBondContact O-NZ 3.17Å; A318-W347 VanDerWaalsContact CA-CZ2 3.48Å; A318-W347 HydrophobicContact CB-CH2 4.46Å; A318-W347 HydrophobicContact CB-CZ2 3.82Å; A318-W347 WeakPolarHBondContact O-CZ2 3.49Å; A318-S597 PolarHBondContact N-O 3.41Å; A318-A599 HydrophobicContact CB-CB 3.72Å
319	H	97.1	Very high	95.3	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.014	20%	0.203	C	C	.	.	S	Bend	trans	-133.8	166.8	-175.7	-66.6	-96	0	0	0	112	G321 V323 T337 G339 D341 R343 S597	H319-G321 PolarHBondContact O-N 3.08Å; H319-G321 VanDerWaalsContact O-N 3.07Å; H319-V323 HydrophobicContact CB-CG2 4.05Å; H319-T337 VanDerWaalsContact NE2-C 3.31Å; H319-T337 VanDerWaalsContact NE2-CB 3.34Å; H319-T337 WeakPolarHBondContact NE2-CB 3.42Å; H319-T337 PolarHBondContact NE2-O 3.42Å; H319-T337 PolarHBondContact NE2-OG1 3.48Å; H319-G339 PolarHBondContact CE1-N 3.38Å; H319-D341 IonicContact CE1-OD1 3.91Å; H319-D341 IonicContact CE1-OD2 2.66Å; H319-D341 IonicContact CG-OD1 2.7Å; H319-D341 IonicContact CG-OD2 3.65Å; H319-D341 IonicContact ND1-OD1 2.73Å; H319-D341 PolarHBondContact ND1-OD1 2.97Å; H319-D341 IonicContact ND1-OD2 3.5Å; H319-D341 PolarHBondContact ND1-OD2 2.69Å; H319-R343 PolarHBondContact CE1-O 2.91Å; H319-R343 VanDerWaalsContact CE1-O 3.3Å; H319-S597 PolarHBondContact N-O 3.19Å; H319-S597 WeakPolarHBondContact O-CA 3.46Å; H319-S597 WeakPolarHBondContact O-CB 3.26Å
320	D	90.6	Very high	95.4	Very high	139 Å²	139	39.3 Å²	39.3	74%	0.743	22%	0.22	S	C	*	.	S	Bend	trans	-76.4	6.1	-177.8	-46.8	-17.1	0	0	0	112.4	K345	D320-K345 IonicContact OD1-NZ 3.43Å
321	G	91.8	Very high	95.5	Very high	26 Å²	26	39 Å²	39	27%	0.268	23%	0.231	S	C	.	.	S	Bend	trans	-178.2	-157.1	-177.2	0	0	0	0	0	110.4	H319 V323 G596	H319-G321 PolarHBondContact O-N 3.08Å; H319-G321 VanDerWaalsContact O-N 3.07Å; G321-V323 PolarHBondContact O-N 3.32Å; G321-G596 CarbonylContact C-O 3.6Å
322	E	96.1	Very high	95.6	Very high	35 Å²	35	36.8 Å²	36.8	16%	0.164	22%	0.217	C	C	.	.			trans	-48.2	123.7	-173.4	172.3	164.5	-157.8	0	0	113.9	N324 G339 M340 N579 K595 G596	E322-N324 WeakPolarHBondContact CG-OD1 3.41Å; E322-N324 PolarHBondContact OE1-OD1 3.14Å; E322-G339 CarbonylContact O-C 3.49Å; E322-G339 VanDerWaalsContact O-CA 3.28Å; E322-G339 WeakPolarHBondContact O-CA 3.4Å; E322-M340 HydrophobicContact CB-CB 4.28Å; E322-M340 HydrophobicContact CB-CG 3.77Å; E322-M340 HydrophobicContact CG-CG 3.99Å; E322-M340 PolarHBondContact O-N 2.91Å; E322-N579 WeakPolarHBondContact CG-ND2 3.45Å; E322-N579 PolarHBondContact OE1-ND2 2.93Å; E322-K595 WeakPolarHBondContact CA-O 3.42Å; E322-K595 HydrophobicContact CB-CG 4.5Å; E322-K595 VanDerWaalsContact CB-O 3.22Å; E322-K595 WeakPolarHBondContact CB-O 3.32Å; E322-K595 HydrophobicContact CG-CG 4.15Å; E322-G596 VanDerWaalsContact CA-O 3.3Å; E322-G596 WeakPolarHBondContact CA-O 3.3Å
323	V	98	Very high	95.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117	172.5	-165.2	0	0	0	0	108.6	A318 H319 G321 N579 V593 E594 G596	A318-V323 HydrophobicContact CB-CG2 4.27Å; H319-V323 HydrophobicContact CB-CG2 4.05Å; G321-V323 PolarHBondContact O-N 3.32Å; V323-N579 VanDerWaalsContact O-CB 3.28Å; V323-N579 WeakPolarHBondContact O-CB 3.38Å; V323-N579 PolarHBondContact O-ND2 3.41Å; V323-V593 HydrophobicContact CB-CB 3.82Å; V323-V593 HydrophobicContact CB-CG2 4.13Å; V323-V593 HydrophobicContact CG1-CB 3.58Å; V323-V593 HydrophobicContact CG1-CG1 3.86Å; V323-V593 HydrophobicContact CG1-CG2 3.72Å; V323-E594 PolarHBondContact N-O 3.3Å; V323-E594 VanDerWaalsContact N-O 3.14Å; V323-E594 VanDerWaalsContact O-O 3.12Å; V323-G596 PolarHBondContact N-O 2.98Å
324	N	97.8	Very high	95.6	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.032	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-29.9	-173.3	-70.2	-42	0	0	0	113.1	E322 G338 M340 I367	E322-N324 WeakPolarHBondContact CG-OD1 3.41Å; E322-N324 PolarHBondContact OE1-OD1 3.14Å; N324-G338 PolarHBondContact N-O 2.83Å; N324-M340 PolarHBondContact ND2-SD 2.76Å; N324-I367 WeakPolarHBondContact CB-O 3.42Å; N324-I367 PolarHBondContact ND2-O 3.06Å
325	T	98.2	Very high	95.8	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	147	-169	-172.9	0	0	0	0	111.4	T337 G338 I367 I370	T325-T337 WeakPolarHBondContact O-CA 3.37Å; T325-G338 PolarHBondContact N-O 3.42Å; T325-G338 PolarHBondContact O-N 2.85Å; T325-I367 HydrophobicContact CG2-CG2 4Å; T325-I370 HydrophobicContact CG2-CB 4.32Å; T325-I370 HydrophobicContact CG2-CD1 3.74Å; T325-I370 HydrophobicContact CG2-CG1 3.69Å
326	V	98.6	Very high	95.9	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.03	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	141.8	174.6	61.6	0	0	0	0	109.3	L335 A336 T337 S580 A591 V593	V326-L335 HydrophobicContact CG2-CD1 3.42Å; V326-L335 VanDerWaalsContact CG2-CD1 3.42Å; V326-L335 HydrophobicContact CG2-CD2 4.22Å; V326-L335 HydrophobicContact CG2-CG 3.9Å; V326-A336 CarbonylContact C-O 3.6Å; V326-A336 VanDerWaalsContact CA-O 3.28Å; V326-A336 WeakPolarHBondContact CA-O 3.28Å; V326-T337 HydrophobicContact CB-CG2 4.45Å; V326-T337 HydrophobicContact CG2-CG2 4.02Å; V326-S580 PolarHBondContact N-OG 3.16Å; V326-A591 HydrophobicContact CG2-CB 3.92Å; V326-V593 HydrophobicContact CB-CB 4.46Å; V326-V593 HydrophobicContact CB-CG1 3.64Å; V326-V593 HydrophobicContact CB-CG2 3.94Å; V326-V593 HydrophobicContact CG1-CB 4.5Å; V326-V593 HydrophobicContact CG1-CG1 3.97Å; V326-V593 HydrophobicContact CG1-CG2 3.85Å; V326-V593 HydrophobicContact CG2-CG1 4.05Å
327	R	98.3	Very high	96.1	Very high	54 Å²	54	35.3 Å²	35.3	20%	0.204	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	135.4	174.9	-155.3	175.6	-156.9	100.2	20.7	112.2	A336 I370 D371 F372	R327-A336 PolarHBondContact N-O 3.45Å; R327-A336 PolarHBondContact O-N 2.91Å; R327-I370 HydrophobicContact CB-CB 4.41Å; R327-I370 HydrophobicContact CB-CG2 4.09Å; R327-I370 VanDerWaalsContact CD-O 3.3Å; R327-I370 WeakPolarHBondContact CD-O 3.27Å; R327-I370 PolarHBondContact NH1-O 2.97Å; R327-D371 IonicContact CZ-OD1 2.85Å; R327-D371 IonicContact NE-OD1 3.73Å; R327-D371 PolarHBondContact NE-OD1 2.84Å; R327-D371 IonicContact NH1-OD1 3.13Å; R327-D371 PolarHBondContact NH1-OD1 3.29Å; R327-D371 IonicContact NH2-OD1 3.15Å; R327-F372 HydrophobicContact CB-CE2 4.48Å; R327-F372 HydrophobicContact CG-CD2 4.44Å
328	F	98.1	Very high	96.2	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.035	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	147.8	166.9	-77.5	-85	0	0	0	111.5	L334 L335 V349 F372 S582 S584 A591 L601	F328-L334 WeakPolarHBondContact CA-O 3.33Å; F328-L335 HydrophobicContact CD1-CB 4.48Å; F328-L335 HydrophobicContact CD1-CD1 3.89Å; F328-L335 HydrophobicContact CD2-CD1 3.83Å; F328-L335 HydrophobicContact CE1-CB 4.43Å; F328-L335 HydrophobicContact CE1-CD1 3.85Å; F328-L335 HydrophobicContact CE2-CD1 3.79Å; F328-L335 HydrophobicContact CG-CD1 3.89Å; F328-L335 HydrophobicContact CZ-CD1 3.8Å; F328-V349 HydrophobicContact CE1-CG2 4.13Å; F328-F372 WeakPolarHBondContact O-CD2 3.26Å; F328-S582 WeakPolarHBondContact CE2-O 3.44Å; F328-S582 PolarHBondContact N-OG 3.42Å; F328-S584 VanDerWaalsContact CD2-CA 3.5Å; F328-A591 HydrophobicContact CE2-CB 3.55Å; F328-A591 HydrophobicContact CZ-CB 3.87Å; F328-L601 HydrophobicContact CE1-CD1 4.32Å; F328-L601 HydrophobicContact CZ-CD1 3.7Å
329	S	96.7	Very high	96.2	Very high	11 Å²	11	28.7 Å²	28.7	8%	0.077	16%	0.163	C	C	.	.			trans	-70.1	158	167	70.3	0	0	0	0	111	G331 S332 L334	S329-G331 PolarHBondContact O-N 3.48Å; S329-G331 VanDerWaalsContact O-N 3.13Å; S329-S332 PolarHBondContact O-N 3.24Å; S329-L334 PolarHBondContact N-O 3.2Å; S329-L334 PolarHBondContact OG-N 3.49Å; S329-L334 PolarHBondContact OG-O 3.08Å
330	P	94.2	Very high	96.2	Very high	55 Å²	55	32.8 Å²	32.8	36%	0.357	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.9	179.2	-27.6	35	0	0	0	113.6	S332 F372 D373 P585	P330-S332 VanDerWaalsContact C-N 3.3Å; P330-S332 PolarHBondContact O-N 2.86Å; P330-F372 HydrophobicContact CG-CB 4.27Å; P330-D373 WeakPolarHBondContact CG-O 3.39Å; P330-P585 WeakPolarHBondContact O-CB 3.47Å
331	G	92.5	Very high	96.5	Very high	64 Å²	64	27.3 Å²	27.3	66%	0.66	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	4.8	177.1	0	0	0	0	0	115.4	S329 R333	S329-G331 PolarHBondContact O-N 3.48Å; S329-G331 VanDerWaalsContact O-N 3.13Å; G331-R333 PolarHBondContact O-N 2.88Å
332	S	93.6	Very high	96.8	Very high	14 Å²	14	32.6 Å²	32.6	10%	0.098	17%	0.166	C	C	.	.	S	Bend	trans	57.9	-1.8	-177.1	-55.8	0	0	0	0	117.1	S329 P330 P585 S586	S329-S332 PolarHBondContact O-N 3.24Å; P330-S332 VanDerWaalsContact C-N 3.3Å; P330-S332 PolarHBondContact O-N 2.86Å; S332-P585 VanDerWaalsContact OG-CD 3.28Å; S332-P585 WeakPolarHBondContact OG-CD 3.49Å; S332-S586 WeakPolarHBondContact OG-CB 3.47Å; S332-S586 PolarHBondContact OG-N 3.08Å; S332-S586 PolarHBondContact OG-OG 2.88Å
333	R	92.4	Very high	96.8	Very high	153 Å²	153	36.6 Å²	36.6	58%	0.577	18%	0.179	S	C	*	.	S	Bend	trans	-77.9	-29.2	-179	-177.8	175.4	174.8	-175.2	1.2	113.4	G331 E348 V349	G331-R333 PolarHBondContact O-N 2.88Å; R333-E348 HydrophobicContact CG-CG 4.25Å; R333-E348 IonicContact CZ-OE1 2.76Å; R333-E348 IonicContact NE-OE1 3.2Å; R333-E348 PolarHBondContact NE-OE1 3.45Å; R333-E348 IonicContact NH2-OE1 3.95Å; R333-E348 PolarHBondContact NH2-OE1 3.39Å; R333-V349 PolarHBondContact O-N 2.92Å
334	L	96.3	Very high	96.9	Very high	24 Å²	24	36.6 Å²	36.6	13%	0.126	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140.8	-179	-61.5	177.6	0	0	0	110.5	F328 S329 W347 E348 K357 M393	F328-L334 WeakPolarHBondContact CA-O 3.33Å; S329-L334 PolarHBondContact N-O 3.2Å; S329-L334 PolarHBondContact OG-N 3.49Å; S329-L334 PolarHBondContact OG-O 3.08Å; L334-W347 CarbonylContact C-O 3.59Å; L334-W347 WeakPolarHBondContact CA-O 3.32Å; L334-E348 HydrophobicContact CD2-CB 4.32Å; L334-E348 HydrophobicContact CD2-CG 4.41Å; L334-K357 HydrophobicContact CD2-CD 3.46Å; L334-K357 VanDerWaalsContact CD2-CD 3.46Å; L334-M393 HydrophobicContact CD1-CE 3.91Å
335	L	98.1	Very high	96.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.7	167.7	-175.1	69.5	0	0	0	107.8	F316 V326 F328 L346 W347 V349 A591	F316-L335 HydrophobicContact CZ-CD2 4.34Å; V326-L335 HydrophobicContact CG2-CD1 3.42Å; V326-L335 VanDerWaalsContact CG2-CD1 3.42Å; V326-L335 HydrophobicContact CG2-CD2 4.22Å; V326-L335 HydrophobicContact CG2-CG 3.9Å; F328-L335 HydrophobicContact CD1-CB 4.48Å; F328-L335 HydrophobicContact CD1-CD1 3.89Å; F328-L335 HydrophobicContact CD2-CD1 3.83Å; F328-L335 HydrophobicContact CE1-CB 4.43Å; F328-L335 HydrophobicContact CE1-CD1 3.85Å; F328-L335 HydrophobicContact CE2-CD1 3.79Å; F328-L335 HydrophobicContact CG-CD1 3.89Å; F328-L335 HydrophobicContact CZ-CD1 3.8Å; L335-L346 WeakPolarHBondContact O-CA 3.33Å; L335-W347 HydrophobicContact CB-CB 4.23Å; L335-W347 PolarHBondContact N-O 2.98Å; L335-W347 PolarHBondContact O-N 2.86Å; L335-V349 HydrophobicContact CB-CG2 4.21Å; L335-A591 HydrophobicContact CD1-CB 3.72Å; L335-A591 HydrophobicContact CD2-CB 4.01Å
336	A	98.6	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.5	173	0	0	0	0	0	109.9	V326 R327 V344 K345 L346 I370 F372 L379	V326-A336 CarbonylContact C-O 3.6Å; V326-A336 VanDerWaalsContact CA-O 3.28Å; V326-A336 WeakPolarHBondContact CA-O 3.28Å; R327-A336 PolarHBondContact N-O 3.45Å; R327-A336 PolarHBondContact O-N 2.91Å; A336-V344 HydrophobicContact CB-CG1 4.19Å; A336-K345 WeakPolarHBondContact CA-O 3.31Å; A336-L346 HydrophobicContact CB-CD2 3.75Å; A336-I370 HydrophobicContact CB-CD1 4.11Å; A336-I370 HydrophobicContact CB-CG2 4.04Å; A336-F372 HydrophobicContact CB-CE2 3.83Å; A336-F372 HydrophobicContact CB-CZ 3.79Å; A336-L379 HydrophobicContact CB-CD1 3.72Å
337	T	98.7	Very high	96.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.7	175	60	0	0	0	0	109.8	A318 H319 T325 V326 V344 K345 W347 V593	A318-T337 HydrophobicContact CB-CG2 4.35Å; H319-T337 VanDerWaalsContact NE2-C 3.31Å; H319-T337 VanDerWaalsContact NE2-CB 3.34Å; H319-T337 WeakPolarHBondContact NE2-CB 3.42Å; H319-T337 PolarHBondContact NE2-O 3.42Å; H319-T337 PolarHBondContact NE2-OG1 3.48Å; T325-T337 WeakPolarHBondContact O-CA 3.37Å; V326-T337 HydrophobicContact CB-CG2 4.45Å; V326-T337 HydrophobicContact CG2-CG2 4.02Å; T337-V344 CarbonylContact O-C 3.36Å; T337-V344 VanDerWaalsContact O-CA 3.25Å; T337-V344 WeakPolarHBondContact O-CA 3.39Å; T337-K345 PolarHBondContact N-O 3.26Å; T337-K345 PolarHBondContact O-N 2.84Å; T337-W347 PolarHBondContact OG1-NE1 3.39Å; T337-V593 HydrophobicContact CG2-CG1 4.21Å
338	G	98.4	Very high	96.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.6	178.8	0	0	0	0	0	111	N324 T325	N324-G338 PolarHBondContact N-O 2.83Å; T325-G338 PolarHBondContact N-O 3.42Å; T325-G338 PolarHBondContact O-N 2.85Å
339	G	97.3	Very high	96.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	173.4	-173.9	0	0	0	0	0	115	H319 E322 D341 R342 R343 G366 I367	H319-G339 PolarHBondContact CE1-N 3.38Å; E322-G339 CarbonylContact O-C 3.49Å; E322-G339 VanDerWaalsContact O-CA 3.28Å; E322-G339 WeakPolarHBondContact O-CA 3.4Å; G339-D341 PolarHBondContact O-N 2.92Å; G339-R342 PolarHBondContact O-N 3.07Å; G339-R343 PolarHBondContact N-O 3.38Å; G339-G366 WeakPolarHBondContact O-CA 3.37Å; G339-I367 PolarHBondContact O-N 2.95Å
340	M	97.1	Very high	96.5	Very high	88 Å²	88	41.1 Å²	41.1	43%	0.433	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.6	171.7	-71.7	-65.6	-89.3	0	0	113.1	E322 N324 R342	E322-M340 HydrophobicContact CB-CB 4.28Å; E322-M340 HydrophobicContact CB-CG 3.77Å; E322-M340 HydrophobicContact CG-CG 3.99Å; E322-M340 PolarHBondContact O-N 2.91Å; N324-M340 PolarHBondContact ND2-SD 2.76Å; M340-R342 PolarHBondContact O-N 2.83Å; M340-R342 VanDerWaalsContact O-N 3.12Å
341	D	96.2	Very high	96.1	Very high	25 Å²	25	43.1 Å²	43.1	13%	0.134	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	0.3	168.4	72.5	-7.3	0	0	0	113.7	H319 G339 R343 K345	H319-D341 IonicContact CE1-OD1 3.91Å; H319-D341 IonicContact CE1-OD2 2.66Å; H319-D341 IonicContact CG-OD1 2.7Å; H319-D341 IonicContact CG-OD2 3.65Å; H319-D341 IonicContact ND1-OD1 2.73Å; H319-D341 PolarHBondContact ND1-OD1 2.97Å; H319-D341 IonicContact ND1-OD2 3.5Å; H319-D341 PolarHBondContact ND1-OD2 2.69Å; G339-D341 PolarHBondContact O-N 2.92Å; D341-R343 VanDerWaalsContact C-N 3.28Å; D341-R343 PolarHBondContact O-N 2.79Å; D341-R343 PolarHBondContact OD1-N 2.81Å; D341-K345 WeakPolarHBondContact OD2-CE 3.46Å; D341-K345 IonicContact OD2-NZ 3.38Å
342	R	97.5	Very high	95.9	Very high	136 Å²	136	40.3 Å²	40.3	51%	0.513	20%	0.197	S	C	.	.	S	Bend	trans	73	16.5	175.5	-39.8	172.8	-78.5	-167.6	-2.9	113.8	G339 M340 S363 N364 A365	G339-R342 PolarHBondContact O-N 3.07Å; M340-R342 PolarHBondContact O-N 2.83Å; M340-R342 VanDerWaalsContact O-N 3.12Å; R342-S363 WeakPolarHBondContact CB-O 3.37Å; R342-N364 VanDerWaalsContact CD-C 3.43Å; R342-N364 WeakPolarHBondContact CD-O 3.37Å; R342-A365 WeakPolarHBondContact CA-O 3.39Å; R342-A365 WeakPolarHBondContact CB-O 3.45Å
343	R	97.4	Very high	95.8	Very high	120 Å²	120	47 Å²	47	45%	0.453	22%	0.22	S	C	.	.			trans	-114.4	150.4	-179.5	-61	-176.7	179.5	-169.4	1.5	110.9	H319 G339 D341 I367	H319-R343 PolarHBondContact CE1-O 2.91Å; H319-R343 VanDerWaalsContact CE1-O 3.3Å; G339-R343 PolarHBondContact N-O 3.38Å; D341-R343 VanDerWaalsContact C-N 3.28Å; D341-R343 PolarHBondContact O-N 2.79Å; D341-R343 PolarHBondContact OD1-N 2.81Å; R343-I367 WeakPolarHBondContact O-CG1 3.38Å
344	V	98.6	Very high	96	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.1	156.7	177.5	0	0	0	0	106.8	A336 T337 L346 A359 L360 I367 I370 L379 A381	A336-V344 HydrophobicContact CB-CG1 4.19Å; T337-V344 CarbonylContact O-C 3.36Å; T337-V344 VanDerWaalsContact O-CA 3.25Å; T337-V344 WeakPolarHBondContact O-CA 3.39Å; V344-L346 HydrophobicContact CG1-CD2 4.39Å; V344-A359 CarbonylContact O-C 3.54Å; V344-A359 VanDerWaalsContact O-CA 3.3Å; V344-A359 WeakPolarHBondContact O-CA 3.42Å; V344-L360 HydrophobicContact CB-CB 4.09Å; V344-L360 HydrophobicContact CB-CD1 4.18Å; V344-L360 HydrophobicContact CB-CG 4.38Å; V344-L360 HydrophobicContact CG1-CD1 4.07Å; V344-L360 PolarHBondContact N-O 3.31Å; V344-L360 VanDerWaalsContact N-O 3.15Å; V344-L360 PolarHBondContact O-N 3.29Å; V344-I367 HydrophobicContact CG2-CD1 4.15Å; V344-I367 HydrophobicContact CG2-CG1 3.91Å; V344-I367 HydrophobicContact CG2-CG2 4.06Å; V344-I370 HydrophobicContact CG1-CD1 3.73Å; V344-I370 HydrophobicContact CG1-CG1 4.48Å; V344-I370 HydrophobicContact CG2-CD1 4.13Å; V344-I370 HydrophobicContact CG2-CG1 4.3Å; V344-L379 HydrophobicContact CG1-CD1 3.96Å; V344-L379 HydrophobicContact CG1-CD2 4.17Å; V344-L379 HydrophobicContact CG2-CD2 4.4Å; V344-A381 HydrophobicContact CG2-CB 3.79Å
345	K	98.4	Very high	96	Very high	38 Å²	38	44.2 Å²	44.2	17%	0.165	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	141.5	175.3	-70.1	175.3	-176.9	-174.3	0	109.4	A318 D320 A336 T337 D341 W347 A359	A318-K345 WeakPolarHBondContact O-CD 3.19Å; A318-K345 WeakPolarHBondContact O-CE 3.33Å; A318-K345 PolarHBondContact O-NZ 3.17Å; D320-K345 IonicContact OD1-NZ 3.43Å; A336-K345 WeakPolarHBondContact CA-O 3.31Å; T337-K345 PolarHBondContact N-O 3.26Å; T337-K345 PolarHBondContact O-N 2.84Å; D341-K345 WeakPolarHBondContact OD2-CE 3.46Å; D341-K345 IonicContact OD2-NZ 3.38Å; K345-W347 HydrophobicContact CB-CZ2 3.86Å; K345-W347 HydrophobicContact CD-CZ2 4Å; K345-A359 HydrophobicContact CG-CB 4.19Å
346	L	98.3	Very high	95.9	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	134	-177.5	-61	176.3	0	0	0	109.3	L335 A336 V344 K357 G358 L360 L379 M393 Y396	L335-L346 WeakPolarHBondContact O-CA 3.33Å; A336-L346 HydrophobicContact CB-CD2 3.75Å; V344-L346 HydrophobicContact CG1-CD2 4.39Å; L346-K357 HydrophobicContact CB-CB 4.43Å; L346-K357 PolarHBondContact O-N 2.83Å; L346-G358 PolarHBondContact N-O 2.89Å; L346-G358 PolarHBondContact O-N 2.89Å; L346-L360 HydrophobicContact CD1-CD1 4.48Å; L346-L360 HydrophobicContact CD1-CD2 4.17Å; L346-L360 HydrophobicContact CD1-CG 4.23Å; L346-L379 HydrophobicContact CD2-CD1 3.94Å; L346-M393 HydrophobicContact CD1-CE 3.41Å; L346-M393 VanDerWaalsContact CD1-CE 3.41Å; L346-M393 HydrophobicContact CD1-SD 4.38Å; L346-M393 HydrophobicContact CD2-CE 3.77Å; L346-M393 HydrophobicContact CG-CE 4.23Å; L346-Y396 HydrophobicContact CD1-CD1 3.59Å; L346-Y396 HydrophobicContact CD1-CE1 3.39Å
347	W	98.2	Very high	95.7	Very high	22 Å²	22	51.8 Å²	51.8	8%	0.083	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.2	-177.8	-42	82.7	0	0	0	109.2	F316 A318 L334 L335 T337 K345 C354 E355 A356	F316-W347 HydrophobicContact CD2-CD2 4.37Å; F316-W347 AromaticContact CD2-CE3 3.97Å; F316-W347 HydrophobicContact CD2-CE3 3.97Å; F316-W347 AromaticContact CD2-CH2 3.84Å; F316-W347 HydrophobicContact CD2-CH2 3.84Å; F316-W347 HydrophobicContact CD2-CZ2 4.26Å; F316-W347 AromaticContact CD2-CZ3 3.68Å; F316-W347 HydrophobicContact CD2-CZ3 3.68Å; F316-W347 AromaticContact CE2-CD2 3.57Å; F316-W347 HydrophobicContact CE2-CD2 3.57Å; F316-W347 AromaticContact CE2-CE2 3.64Å; F316-W347 AromaticContact CE2-CE3 3.61Å; F316-W347 HydrophobicContact CE2-CE3 3.61Å; F316-W347 HydrophobicContact CE2-CG 4.23Å; F316-W347 AromaticContact CE2-CH2 3.83Å; F316-W347 HydrophobicContact CE2-CH2 3.83Å; F316-W347 AromaticContact CE2-CZ2 3.81Å; F316-W347 HydrophobicContact CE2-CZ2 3.81Å; F316-W347 AromaticContact CE2-CZ3 3.73Å; F316-W347 HydrophobicContact CE2-CZ3 3.73Å; F316-W347 HydrophobicContact CZ-CD2 4.22Å; F316-W347 HydrophobicContact CZ-CE3 4.44Å; F316-W347 HydrophobicContact CZ-CG 4.44Å; A318-W347 VanDerWaalsContact CA-CZ2 3.48Å; A318-W347 HydrophobicContact CB-CH2 4.46Å; A318-W347 HydrophobicContact CB-CZ2 3.82Å; A318-W347 WeakPolarHBondContact O-CZ2 3.49Å; L334-W347 CarbonylContact C-O 3.59Å; L334-W347 WeakPolarHBondContact CA-O 3.32Å; L335-W347 HydrophobicContact CB-CB 4.23Å; L335-W347 PolarHBondContact N-O 2.98Å; L335-W347 PolarHBondContact O-N 2.86Å; T337-W347 PolarHBondContact OG1-NE1 3.39Å; K345-W347 HydrophobicContact CB-CZ2 3.86Å; K345-W347 HydrophobicContact CD-CZ2 4Å; W347-C354 HydrophobicContact CB-CB 4.04Å; W347-E355 CarbonylContact C-O 3.51Å; W347-E355 WeakPolarHBondContact CA-O 3.23Å; W347-A356 HydrophobicContact CE3-CB 4.02Å; W347-A356 HydrophobicContact CZ3-CB 3.86Å
348	E	96.8	Very high	95.5	Very high	40 Å²	40	53.1 Å²	53.1	19%	0.187	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.9	171.3	-166	159.5	172.7	0	0	109.4	R333 L334 V350 C354 E355 K357	R333-E348 HydrophobicContact CG-CG 4.25Å; R333-E348 IonicContact CZ-OE1 2.76Å; R333-E348 IonicContact NE-OE1 3.2Å; R333-E348 PolarHBondContact NE-OE1 3.45Å; R333-E348 IonicContact NH2-OE1 3.95Å; R333-E348 PolarHBondContact NH2-OE1 3.39Å; L334-E348 HydrophobicContact CD2-CB 4.32Å; L334-E348 HydrophobicContact CD2-CG 4.41Å; E348-V350 HydrophobicContact CB-CG2 4.44Å; E348-V350 HydrophobicContact CG-CG2 3.83Å; E348-C354 CarbonylContact O-C 3.58Å; E348-C354 WeakPolarHBondContact O-CA 3.35Å; E348-E355 PolarHBondContact N-O 2.8Å; E348-E355 PolarHBondContact O-N 3.04Å; E348-K357 HydrophobicContact CB-CD 4.43Å; E348-K357 IonicContact OE2-NZ 3.96Å; E348-K357 PolarHBondContact OE2-NZ 3.45Å
349	V	95.3	Very high	95.4	Very high	17 Å²	17	55 Å²	55	10%	0.103	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	104.7	179.4	-176.5	0	0	0	0	108.7	F328 R333 L335 R353 Y589 L601	F328-V349 HydrophobicContact CE1-CG2 4.13Å; R333-V349 PolarHBondContact O-N 2.92Å; L335-V349 HydrophobicContact CB-CG2 4.21Å; V349-R353 WeakPolarHBondContact CA-O 3.33Å; V349-Y589 HydrophobicContact CG1-CD2 4.02Å; V349-Y589 HydrophobicContact CG1-CE2 3.77Å; V349-L601 HydrophobicContact CG1-CD2 3.88Å
350	V	92.4	Very high	95.4	Very high	66 Å²	66	55.1 Å²	55.1	40%	0.4	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.5	-178.6	-173	0	0	0	0	108.6	E348 G352 R353	E348-V350 HydrophobicContact CB-CG2 4.44Å; E348-V350 HydrophobicContact CG-CG2 3.83Å; V350-G352 VanDerWaalsContact C-N 3.3Å; V350-G352 PolarHBondContact O-N 2.79Å; V350-R353 PolarHBondContact N-O 3.41Å; V350-R353 PolarHBondContact O-N 2.83Å
351	A	86.9	Confident	95.4	Very high	96 Å²	96	54.9 Å²	54.9	79%	0.793	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	47.6	175.7	0	0	0	0	0	114.2	R353	A351-R353 VanDerWaalsContact C-N 3.32Å; A351-R353 PolarHBondContact O-N 3.23Å
352	G	87.1	Confident	95.4	Very high	5 Å²	5	55.4 Å²	55.4	5%	0.052	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	6.8	178.8	0	0	0	0	0	115.6	L313 V350 Y589	L313-G352 WeakPolarHBondContact CB-O 3.48Å; V350-G352 VanDerWaalsContact C-N 3.3Å; V350-G352 PolarHBondContact O-N 2.79Å; G352-Y589 PolarHBondContact N-OH 3.44Å
353	R	92.8	Very high	95.3	Very high	154 Å²	154	49.3 Å²	49.3	58%	0.581	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	137	172.7	-64.8	-175.5	-171	-96.4	-1	111.4	H314 V349 V350 A351	H314-R353 WeakPolarHBondContact ND1-CA 3.33Å; V349-R353 WeakPolarHBondContact CA-O 3.33Å; V350-R353 PolarHBondContact N-O 3.41Å; V350-R353 PolarHBondContact O-N 2.83Å; A351-R353 VanDerWaalsContact C-N 3.32Å; A351-R353 PolarHBondContact O-N 3.23Å
354	C	95.4	Very high	95.3	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.041	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	117.9	165.2	-63.7	0	0	0	0	111.3	H314 F316 W347 E348	H314-C354 PolarHBondContact CE1-O 3.25Å; H314-C354 PolarHBondContact ND1-N 3.3Å; F316-C354 HydrophobicContact CD1-CB 4.09Å; F316-C354 HydrophobicContact CE1-CB 3.54Å; F316-C354 HydrophobicContact CE2-CB 4.32Å; F316-C354 HydrophobicContact CZ-CB 3.66Å; W347-C354 HydrophobicContact CB-CB 4.04Å; E348-C354 CarbonylContact O-C 3.58Å; E348-C354 WeakPolarHBondContact O-CA 3.35Å
355	E	96.1	Very high	95.3	Very high	114 Å²	114	50.5 Å²	50.5	53%	0.533	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136	173.8	-64.7	-173.5	168.1	0	0	110.5	W347 E348 K357	W347-E355 CarbonylContact C-O 3.51Å; W347-E355 WeakPolarHBondContact CA-O 3.23Å; E348-E355 PolarHBondContact N-O 2.8Å; E348-E355 PolarHBondContact O-N 3.04Å; E355-K357 PolarHBondContact O-N 3.21Å
356	A	95.9	Very high	95.3	Very high	84 Å²	84	48.9 Å²	48.9	69%	0.694	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	122	-179.7	0	0	0	0	0	110.9	W347	W347-A356 HydrophobicContact CE3-CB 4.02Å; W347-A356 HydrophobicContact CZ3-CB 3.86Å
357	K	95.1	Very high	95.3	Very high	76 Å²	76	48.9 Å²	48.9	33%	0.33	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-36.1	-177.9	-171.2	178.1	-172.9	128.6	0	113.1	L334 L346 E348 E355 Y396	L334-K357 HydrophobicContact CD2-CD 3.46Å; L334-K357 VanDerWaalsContact CD2-CD 3.46Å; L346-K357 HydrophobicContact CB-CB 4.43Å; L346-K357 PolarHBondContact O-N 2.83Å; E348-K357 HydrophobicContact CB-CD 4.43Å; E348-K357 IonicContact OE2-NZ 3.96Å; E348-K357 PolarHBondContact OE2-NZ 3.45Å; E355-K357 PolarHBondContact O-N 3.21Å; K357-Y396 WeakPolarHBondContact CD-OH 3.45Å; K357-Y396 WeakPolarHBondContact CE-OH 3.25Å; K357-Y396 WeakPolarHBondContact CG-OH 3.3Å
358	G	94	Very high	95.3	Very high	28 Å²	28	48.4 Å²	48.4	29%	0.289	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	174.5	178.8	-178.3	0	0	0	0	0	112.9	L346	L346-G358 PolarHBondContact N-O 2.89Å; L346-G358 PolarHBondContact O-N 2.89Å
359	A	96.3	Very high	95.4	Very high	39 Å²	39	46.6 Å²	46.6	32%	0.322	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	137.1	176.2	0	0	0	0	0	110.8	V344 K345	V344-A359 CarbonylContact O-C 3.54Å; V344-A359 VanDerWaalsContact O-CA 3.3Å; V344-A359 WeakPolarHBondContact O-CA 3.42Å; K345-A359 HydrophobicContact CG-CB 4.19Å
360	L	98	Very high	95.5	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.8	172.6	-46.6	174.1	0	0	0	108.5	V344 L346 L379 W391 Y396	V344-L360 HydrophobicContact CB-CB 4.09Å; V344-L360 HydrophobicContact CB-CD1 4.18Å; V344-L360 HydrophobicContact CB-CG 4.38Å; V344-L360 HydrophobicContact CG1-CD1 4.07Å; V344-L360 PolarHBondContact N-O 3.31Å; V344-L360 VanDerWaalsContact N-O 3.15Å; V344-L360 PolarHBondContact O-N 3.29Å; L346-L360 HydrophobicContact CD1-CD1 4.48Å; L346-L360 HydrophobicContact CD1-CD2 4.17Å; L346-L360 HydrophobicContact CD1-CG 4.23Å; L360-L379 HydrophobicContact CD1-CB 4.25Å; L360-L379 HydrophobicContact CD1-CD1 3.9Å; L360-L379 HydrophobicContact CD1-CD2 3.81Å; L360-L379 HydrophobicContact CD1-CG 4.22Å; L360-W391 HydrophobicContact CB-CD2 3.93Å; L360-W391 HydrophobicContact CB-CG 3.97Å; L360-W391 HydrophobicContact CB-CZ2 4.34Å; L360-W391 HydrophobicContact CD1-CB 3.9Å; L360-W391 HydrophobicContact CD1-CD2 3.98Å; L360-W391 HydrophobicContact CD1-CE3 4.1Å; L360-W391 HydrophobicContact CD1-CG 3.92Å; L360-W391 HydrophobicContact CD2-CB 4Å; L360-W391 HydrophobicContact CD2-CG 4.04Å; L360-W391 HydrophobicContact CG-CB 4.43Å; L360-W391 HydrophobicContact CG-CD2 4.45Å; L360-W391 HydrophobicContact CG-CG 4.2Å; L360-Y396 HydrophobicContact CD2-CD1 3.88Å; L360-Y396 HydrophobicContact CD2-CG 4.24Å
361	T	96.8	Very high	95.8	Very high	83 Å²	83	43.3 Å²	43.3	51%	0.509	27%	0.269	S	S	.	.			trans	-114.5	168.6	-176.6	62.1	0	0	0	0	111	W391	T361-W391 PolarHBondContact O-NE1 3.33Å
362	G	95.3	Very high	96.3	Very high	36 Å²	36	39.5 Å²	39.5	37%	0.371	23%	0.234	S	C	.	.			trans	122.4	-14	176.8	0	0	0	0	0	114.6	R389	G362-R389 PolarHBondContact O-NE 2.81Å; G362-R389 PolarHBondContact O-NH2 3.41Å
363	S	97.2	Very high	96.7	Very high	9 Å²	9	39.7 Å²	39.7	6%	0.063	23%	0.234	C	C	.	.			trans	-76.3	140.2	171.6	-62.7	0	0	0	0	111.6	R342 I367 R389	R342-S363 WeakPolarHBondContact CB-O 3.37Å; S363-I367 VanDerWaalsContact OG-CD1 3.3Å; S363-I367 WeakPolarHBondContact OG-CD1 3.47Å; S363-R389 PolarHBondContact OG-NH1 3.07Å
364	N	97.1	Very high	96.7	Very high	120 Å²	120	36.5 Å²	36.5	64%	0.642	24%	0.236	S	C	*	.	S	Bend	trans	-98.4	-6.7	-177.2	-66.8	-27.7	0	0	0	113.1	R342 D385	R342-N364 VanDerWaalsContact CD-C 3.43Å; R342-N364 WeakPolarHBondContact CD-O 3.37Å; N364-D385 HydrophobicContact CB-CB 3.95Å; N364-D385 WeakPolarHBondContact CB-OD2 3.41Å; N364-D385 PolarHBondContact N-OD2 3.4Å
365	A	98.1	Very high	96.5	Very high	25 Å²	25	39.6 Å²	39.6	21%	0.207	26%	0.262	C	S	.	.	S	Bend	trans	-144.7	178	173.7	0	0	0	0	0	110.1	R342 S383 N384 D385	R342-A365 WeakPolarHBondContact CA-O 3.39Å; R342-A365 WeakPolarHBondContact CB-O 3.45Å; A365-S383 PolarHBondContact O-OG 2.93Å; A365-N384 HydrophobicContact CB-CB 3.67Å; A365-D385 HydrophobicContact CB-CB 3.8Å
366	G	97.6	Very high	96.5	Very high	4 Å²	4	35.1 Å²	35.1	4%	0.041	25%	0.246	C	C	.	.			trans	-58.9	142.5	-175.2	0	0	0	0	0	113.7	G339 S383 N384	G339-G366 WeakPolarHBondContact O-CA 3.37Å; G366-S383 WeakPolarHBondContact O-CA 3.4Å; G366-N384 PolarHBondContact O-N 2.58Å
367	I	98.6	Very high	96.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	136.4	176.3	-54.1	-55.6	0	0	0	109.3	N324 T325 G339 R343 V344 S363 I370 A381 A382	N324-I367 WeakPolarHBondContact CB-O 3.42Å; N324-I367 PolarHBondContact ND2-O 3.06Å; T325-I367 HydrophobicContact CG2-CG2 4Å; G339-I367 PolarHBondContact O-N 2.95Å; R343-I367 WeakPolarHBondContact O-CG1 3.38Å; V344-I367 HydrophobicContact CG2-CD1 4.15Å; V344-I367 HydrophobicContact CG2-CG1 3.91Å; V344-I367 HydrophobicContact CG2-CG2 4.06Å; S363-I367 VanDerWaalsContact OG-CD1 3.3Å; S363-I367 WeakPolarHBondContact OG-CD1 3.47Å; I367-I370 HydrophobicContact CG2-CD1 4.49Å; I367-I370 HydrophobicContact CG2-CG1 4.09Å; I367-A381 HydrophobicContact CG2-CB 3.97Å; I367-A382 WeakPolarHBondContact CA-O 3.43Å
368	T	98.4	Very high	96.5	Very high	11 Å²	11	34.2 Å²	34.2	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-26	-172.9	53.7	0	0	0	0	113.9	A382 N384 V409 L410 R537	T368-A382 PolarHBondContact N-O 3.42Å; T368-A382 VanDerWaalsContact OG1-C 3.26Å; T368-A382 WeakPolarHBondContact OG1-CB 3.39Å; T368-A382 PolarHBondContact OG1-O 3.48Å; T368-N384 VanDerWaalsContact CG2-OD1 3.3Å; T368-N384 WeakPolarHBondContact CG2-OD1 3.35Å; T368-V409 WeakPolarHBondContact CB-O 3.28Å; T368-V409 PolarHBondContact OG1-O 3.07Å; T368-L410 HydrophobicContact CG2-CD2 4.36Å; T368-R537 PolarHBondContact O-NH2 3.37Å
369	S	98.4	Very high	96.7	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	152.8	173.7	67.2	0	0	0	0	110.5	A381 A382 S411 A412	S369-A381 VanDerWaalsContact O-CA 3.25Å; S369-A381 WeakPolarHBondContact O-CA 3.42Å; S369-A382 PolarHBondContact O-N 3.11Å; S369-A382 WeakPolarHBondContact OG-CB 3.38Å; S369-S411 WeakPolarHBondContact OG-CA 3.39Å; S369-A412 PolarHBondContact OG-N 3.49Å; S369-A412 VanDerWaalsContact OG-N 3.16Å
370	I	98.7	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.9	172.8	-68.2	168.3	0	0	0	108.5	T325 R327 A336 V344 I367 L379 L380 A381	T325-I370 HydrophobicContact CG2-CB 4.32Å; T325-I370 HydrophobicContact CG2-CD1 3.74Å; T325-I370 HydrophobicContact CG2-CG1 3.69Å; R327-I370 HydrophobicContact CB-CB 4.41Å; R327-I370 HydrophobicContact CB-CG2 4.09Å; R327-I370 VanDerWaalsContact CD-O 3.3Å; R327-I370 WeakPolarHBondContact CD-O 3.27Å; R327-I370 PolarHBondContact NH1-O 2.97Å; A336-I370 HydrophobicContact CB-CD1 4.11Å; A336-I370 HydrophobicContact CB-CG2 4.04Å; V344-I370 HydrophobicContact CG1-CD1 3.73Å; V344-I370 HydrophobicContact CG1-CG1 4.48Å; V344-I370 HydrophobicContact CG2-CD1 4.13Å; V344-I370 HydrophobicContact CG2-CG1 4.3Å; I367-I370 HydrophobicContact CG2-CD1 4.49Å; I367-I370 HydrophobicContact CG2-CG1 4.09Å; I370-L379 HydrophobicContact CG2-CD1 3.96Å; I370-L379 HydrophobicContact CG2-CD2 4.11Å; I370-L379 HydrophobicContact CG2-CG 3.93Å; I370-L380 CarbonylContact C-O 3.44Å; I370-L380 WeakPolarHBondContact CA-O 3.2Å; I370-A381 HydrophobicContact CG1-CB 4.3Å
371	D	98.2	Very high	96.8	Very high	15 Å²	15	31 Å²	31	8%	0.08	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	141.2	170.9	-153.1	36.9	0	0	0	109.8	R327 L380 R413 F414	R327-D371 IonicContact CZ-OD1 2.85Å; R327-D371 IonicContact NE-OD1 3.73Å; R327-D371 PolarHBondContact NE-OD1 2.84Å; R327-D371 IonicContact NH1-OD1 3.13Å; R327-D371 PolarHBondContact NH1-OD1 3.29Å; R327-D371 IonicContact NH2-OD1 3.15Å; D371-L380 HydrophobicContact CB-CB 4.4Å; D371-L380 HydrophobicContact CB-CD2 4.4Å; D371-L380 PolarHBondContact N-O 3.34Å; D371-L380 PolarHBondContact O-N 2.74Å; D371-R413 VanDerWaalsContact CG-CD 3.45Å; D371-R413 IonicContact OD1-NH1 3.94Å; D371-R413 PolarHBondContact OD1-NH1 2.81Å; D371-R413 WeakPolarHBondContact OD2-CA 3.3Å; D371-R413 WeakPolarHBondContact OD2-CD 3.4Å; D371-F414 HydrophobicContact CB-CD2 4.41Å; D371-F414 PolarHBondContact OD2-N 3.38Å; D371-F414 VanDerWaalsContact OD2-N 3.09Å
372	F	97.5	Very high	96.9	Very high	15 Å²	15	27 Å²	27	7%	0.066	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	147.3	169.8	-75.6	-86.7	0	0	0	108.7	R327 F328 P330 A336 Y378 L379 M393	R327-F372 HydrophobicContact CB-CE2 4.48Å; R327-F372 HydrophobicContact CG-CD2 4.44Å; F328-F372 WeakPolarHBondContact O-CD2 3.26Å; P330-F372 HydrophobicContact CG-CB 4.27Å; A336-F372 HydrophobicContact CB-CE2 3.83Å; A336-F372 HydrophobicContact CB-CZ 3.79Å; F372-Y378 WeakPolarHBondContact CA-O 3.48Å; F372-L379 HydrophobicContact CD1-CB 4.34Å; F372-L379 HydrophobicContact CE1-CB 4.24Å; F372-L379 HydrophobicContact CE1-CD1 3.85Å; F372-L379 HydrophobicContact CE1-CG 4.37Å; F372-L379 HydrophobicContact CE2-CD1 4.31Å; F372-L379 HydrophobicContact CZ-CD1 3.72Å; F372-M393 HydrophobicContact CE1-CE 3.86Å; F372-M393 HydrophobicContact CE1-CG 4.22Å; F372-M393 HydrophobicContact CE1-SD 3.96Å; F372-M393 HydrophobicContact CZ-CE 4.46Å
373	D	95.6	Very high	97.1	Very high	9 Å²	9	25.3 Å²	25.3	5%	0.048	16%	0.159	C	C	.	.			trans	-68.8	167	166	80.3	-48.7	0	0	0	110.5	P330 A375 G376 S377 Y378 F414	P330-D373 WeakPolarHBondContact CG-O 3.39Å; D373-A375 PolarHBondContact O-N 3.43Å; D373-A375 WeakPolarHBondContact OD2-CB 3.47Å; D373-A375 PolarHBondContact OD2-N 2.97Å; D373-G376 PolarHBondContact O-N 3.29Å; D373-G376 VanDerWaalsContact OD1-C 3.28Å; D373-G376 VanDerWaalsContact OD1-CA 3.27Å; D373-G376 WeakPolarHBondContact OD1-CA 3.32Å; D373-G376 PolarHBondContact OD1-N 2.88Å; D373-S377 PolarHBondContact OD1-N 2.84Å; D373-Y378 PolarHBondContact N-O 2.81Å; D373-Y378 VanDerWaalsContact N-O 3.09Å; D373-Y378 PolarHBondContact OD1-N 3.06Å; D373-F414 HydrophobicContact CB-CD2 4.1Å; D373-F414 HydrophobicContact CB-CE1 4.44Å; D373-F414 HydrophobicContact CB-CE2 4.01Å; D373-F414 HydrophobicContact CB-CG 4.35Å; D373-F414 HydrophobicContact CB-CZ 4.19Å
374	S	92.2	Very high	97.2	Very high	88 Å²	88	26.1 Å²	26.1	62%	0.615	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.7	-176	65.5	0	0	0	0	113.6	N418	S374-N418 PolarHBondContact OG-ND2 3.33Å
375	A	92.1	Very high	97.2	Very high	71 Å²	71	22 Å²	22	59%	0.587	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-15.5	176.6	0	0	0	0	0	112.9	D373 S377	D373-A375 PolarHBondContact O-N 3.43Å; D373-A375 WeakPolarHBondContact OD2-CB 3.47Å; D373-A375 PolarHBondContact OD2-N 2.97Å; A375-S377 PolarHBondContact O-N 3.29Å
376	G	94.5	Very high	97.2	Very high	20 Å²	20	25.2 Å²	25.2	21%	0.206	15%	0.15	C	C	.	.	S	Bend	trans	70.7	13.2	-172.2	0	0	0	0	0	113.9	D373 M393	D373-G376 PolarHBondContact O-N 3.29Å; D373-G376 VanDerWaalsContact OD1-C 3.28Å; D373-G376 VanDerWaalsContact OD1-CA 3.27Å; D373-G376 WeakPolarHBondContact OD1-CA 3.32Å; D373-G376 PolarHBondContact OD1-N 2.88Å; G376-M393 WeakPolarHBondContact O-CG 3.28Å
377	S	95.1	Very high	97.3	Very high	45 Å²	45	25.2 Å²	25.2	32%	0.315	15%	0.149	S	C	.	.	S	Bend	trans	-81.4	-23.9	178.3	-59	0	0	0	0	112.5	D373 A375 T392 M393	D373-S377 PolarHBondContact OD1-N 2.84Å; A375-S377 PolarHBondContact O-N 3.29Å; S377-T392 WeakPolarHBondContact O-CA 3.34Å; S377-M393 PolarHBondContact O-N 3.05Å
378	Y	96.8	Very high	97.3	Very high	96 Å²	96	25.1 Å²	25.1	38%	0.376	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.6	180	-64	-84.7	0	0	0	111.6	F372 D373 I390 W391 T392 R399	F372-Y378 WeakPolarHBondContact CA-O 3.48Å; D373-Y378 PolarHBondContact N-O 2.81Å; D373-Y378 VanDerWaalsContact N-O 3.09Å; D373-Y378 PolarHBondContact OD1-N 3.06Å; Y378-I390 HydrophobicContact CD1-CG2 3.82Å; Y378-I390 HydrophobicContact CG-CG2 4.36Å; Y378-W391 WeakPolarHBondContact CA-O 3.43Å; Y378-T392 HydrophobicContact CD1-CG2 3.78Å; Y378-T392 HydrophobicContact CE1-CG2 3.33Å; Y378-R399 HydrophobicContact CE1-CG 4.45Å
379	L	98.4	Very high	97.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129	169.2	-175.3	156.3	0	0	0	109.2	A336 V344 L346 L360 I370 F372 A381 I390 W391 M393	A336-L379 HydrophobicContact CB-CD1 3.72Å; V344-L379 HydrophobicContact CG1-CD1 3.96Å; V344-L379 HydrophobicContact CG1-CD2 4.17Å; V344-L379 HydrophobicContact CG2-CD2 4.4Å; L346-L379 HydrophobicContact CD2-CD1 3.94Å; L360-L379 HydrophobicContact CD1-CB 4.25Å; L360-L379 HydrophobicContact CD1-CD1 3.9Å; L360-L379 HydrophobicContact CD1-CD2 3.81Å; L360-L379 HydrophobicContact CD1-CG 4.22Å; I370-L379 HydrophobicContact CG2-CD1 3.96Å; I370-L379 HydrophobicContact CG2-CD2 4.11Å; I370-L379 HydrophobicContact CG2-CG 3.93Å; F372-L379 HydrophobicContact CD1-CB 4.34Å; F372-L379 HydrophobicContact CE1-CB 4.24Å; F372-L379 HydrophobicContact CE1-CD1 3.85Å; F372-L379 HydrophobicContact CE1-CG 4.37Å; F372-L379 HydrophobicContact CE2-CD1 4.31Å; F372-L379 HydrophobicContact CZ-CD1 3.72Å; L379-A381 HydrophobicContact CD2-CB 4.12Å; L379-I390 CarbonylContact O-C 3.5Å; L379-I390 VanDerWaalsContact O-CA 3.26Å; L379-I390 WeakPolarHBondContact O-CA 3.45Å; L379-W391 HydrophobicContact CD2-CE3 3.98Å; L379-W391 HydrophobicContact CD2-CZ3 4.16Å; L379-W391 PolarHBondContact N-O 3.38Å; L379-W391 PolarHBondContact O-N 3.47Å; L379-M393 HydrophobicContact CB-CG 4.38Å; L379-M393 HydrophobicContact CB-SD 3.47Å; L379-M393 WeakPolarHBondContact CB-SD 3.16Å; L379-M393 HydrophobicContact CD1-SD 4.07Å; L379-M393 HydrophobicContact CG-SD 4.44Å
380	L	98.6	Very high	97.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.8	171.8	170.2	64.2	0	0	0	109.2	I370 D371 R389 I390 A412 F414 I421	I370-L380 CarbonylContact C-O 3.44Å; I370-L380 WeakPolarHBondContact CA-O 3.2Å; D371-L380 HydrophobicContact CB-CB 4.4Å; D371-L380 HydrophobicContact CB-CD2 4.4Å; D371-L380 PolarHBondContact N-O 3.34Å; D371-L380 PolarHBondContact O-N 2.74Å; L380-R389 CarbonylContact C-O 3.58Å; L380-R389 WeakPolarHBondContact CA-O 3.4Å; L380-I390 HydrophobicContact CD1-CG1 3.92Å; L380-A412 HydrophobicContact CD1-CB 4.13Å; L380-A412 VanDerWaalsContact CD2-C 3.45Å; L380-A412 HydrophobicContact CD2-CB 3.77Å; L380-A412 WeakPolarHBondContact CD2-O 3.22Å; L380-A412 HydrophobicContact CG-CB 4.02Å; L380-F414 HydrophobicContact CB-CD2 4.13Å; L380-F414 HydrophobicContact CB-CE2 3.42Å; L380-F414 VanDerWaalsContact CB-CE2 3.42Å; L380-F414 HydrophobicContact CB-CZ 3.75Å; L380-F414 HydrophobicContact CD2-CD2 4.29Å; L380-F414 HydrophobicContact CD2-CE2 4.32Å; L380-I421 HydrophobicContact CD1-CD1 3.81Å; L380-I421 HydrophobicContact CD1-CG2 4.38Å; L380-I421 HydrophobicContact CD2-CD1 3.86Å; L380-I421 HydrophobicContact CD2-CG1 4.36Å; L380-I421 HydrophobicContact CD2-CG2 3.73Å; L380-I421 HydrophobicContact CG-CD1 4.33Å
381	A	98.7	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.1	169.8	0	0	0	0	0	111.8	V344 I367 S369 I370 L379 S388 R389 W391	V344-A381 HydrophobicContact CG2-CB 3.79Å; I367-A381 HydrophobicContact CG2-CB 3.97Å; S369-A381 VanDerWaalsContact O-CA 3.25Å; S369-A381 WeakPolarHBondContact O-CA 3.42Å; I370-A381 HydrophobicContact CG1-CB 4.3Å; L379-A381 HydrophobicContact CD2-CB 4.12Å; A381-S388 CarbonylContact O-C 3.53Å; A381-S388 VanDerWaalsContact O-CA 3.27Å; A381-S388 WeakPolarHBondContact O-CA 3.38Å; A381-R389 PolarHBondContact N-O 3.18Å; A381-R389 PolarHBondContact O-N 3.34Å; A381-W391 HydrophobicContact CB-CH2 4.01Å; A381-W391 HydrophobicContact CB-CZ3 3.56Å
382	A	98.8	Very high	97.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	153.2	169.2	0	0	0	0	0	110.6	I367 T368 S369 V409 A412	I367-A382 WeakPolarHBondContact CA-O 3.43Å; T368-A382 PolarHBondContact N-O 3.42Å; T368-A382 VanDerWaalsContact OG1-C 3.26Å; T368-A382 WeakPolarHBondContact OG1-CB 3.39Å; T368-A382 PolarHBondContact OG1-O 3.48Å; S369-A382 PolarHBondContact O-N 3.11Å; S369-A382 WeakPolarHBondContact OG-CB 3.38Å; A382-V409 HydrophobicContact CB-CB 4.04Å; A382-V409 HydrophobicContact CB-CG1 3.71Å; A382-A412 HydrophobicContact CB-CB 3.96Å
383	S	98.7	Very high	97	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	154.5	-175.8	156.6	0	0	0	0	113.1	A365 G366 D385 F386 A387 V409	A365-S383 PolarHBondContact O-OG 2.93Å; G366-S383 WeakPolarHBondContact O-CA 3.4Å; S383-D385 WeakPolarHBondContact CB-OD1 3.47Å; S383-D385 PolarHBondContact O-N 3.35Å; S383-D385 VanDerWaalsContact O-N 3.17Å; S383-D385 PolarHBondContact OG-N 3.39Å; S383-D385 VanDerWaalsContact OG-N 3.1Å; S383-D385 PolarHBondContact OG-OD1 3.1Å; S383-F386 PolarHBondContact O-N 3.37Å; S383-A387 PolarHBondContact N-O 3.47Å; S383-A387 VanDerWaalsContact N-O 3.11Å; S383-V409 PolarHBondContact O-N 2.8Å; S383-V409 VanDerWaalsContact O-N 3.15Å
384	N	98.4	Very high	96.8	Very high	27 Å²	27	31.4 Å²	31.4	14%	0.144	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-9.1	173.5	-78.6	-38.4	0	0	0	113.7	A365 G366 T368 F386 K408	A365-N384 HydrophobicContact CB-CB 3.67Å; G366-N384 PolarHBondContact O-N 2.58Å; T368-N384 VanDerWaalsContact CG2-OD1 3.3Å; T368-N384 WeakPolarHBondContact CG2-OD1 3.35Å; N384-F386 WeakPolarHBondContact O-CD1 3.28Å; N384-F386 VanDerWaalsContact O-CE1 3.29Å; N384-F386 WeakPolarHBondContact O-CE1 3.48Å; N384-F386 PolarHBondContact O-N 3.17Å; N384-K408 HydrophobicContact CB-CG 4.2Å; N384-K408 VanDerWaalsContact OD1-CD 3.32Å; N384-K408 WeakPolarHBondContact OD1-CD 3.48Å; N384-K408 WeakPolarHBondContact OD1-CG 3.47Å
385	D	98.3	Very high	96.9	Very high	34 Å²	34	30.2 Å²	30.2	18%	0.182	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	14.6	177	73.7	-12.4	0	0	0	113.7	N364 A365 S383 A387 R389	N364-D385 HydrophobicContact CB-CB 3.95Å; N364-D385 WeakPolarHBondContact CB-OD2 3.41Å; N364-D385 PolarHBondContact N-OD2 3.4Å; A365-D385 HydrophobicContact CB-CB 3.8Å; S383-D385 WeakPolarHBondContact CB-OD1 3.47Å; S383-D385 PolarHBondContact O-N 3.35Å; S383-D385 VanDerWaalsContact O-N 3.17Å; S383-D385 PolarHBondContact OG-N 3.39Å; S383-D385 VanDerWaalsContact OG-N 3.1Å; S383-D385 PolarHBondContact OG-OD1 3.1Å; D385-A387 PolarHBondContact O-N 2.88Å; D385-A387 PolarHBondContact OD1-N 3.29Å; D385-R389 IonicContact OD1-NH1 3.74Å; D385-R389 PolarHBondContact OD1-NH1 3.15Å; D385-R389 VanDerWaalsContact OD1-NH1 3.13Å; D385-R389 IonicContact OD2-CZ 3.85Å; D385-R389 IonicContact OD2-NH1 3.53Å; D385-R389 PolarHBondContact OD2-NH1 2.92Å; D385-R389 IonicContact OD2-NH2 2.78Å; D385-R389 PolarHBondContact OD2-NH2 2.83Å
386	F	98.6	Very high	97	Very high	92 Å²	92	30.5 Å²	30.5	40%	0.404	16%	0.155	S	C	.	.	S	Bend	trans	73.1	10.2	174.5	-41	-18.7	0	0	0	113.8	S383 N384 G407 K408	S383-F386 PolarHBondContact O-N 3.37Å; N384-F386 WeakPolarHBondContact O-CD1 3.28Å; N384-F386 VanDerWaalsContact O-CE1 3.29Å; N384-F386 WeakPolarHBondContact O-CE1 3.48Å; N384-F386 PolarHBondContact O-N 3.17Å; F386-G407 WeakPolarHBondContact CA-O 3.39Å; F386-G407 WeakPolarHBondContact CB-O 3.36Å; F386-G407 VanDerWaalsContact CD1-O 3.26Å; F386-G407 WeakPolarHBondContact CD1-O 3.3Å; F386-G407 WeakPolarHBondContact CG-O 3.44Å; F386-K408 VanDerWaalsContact CD1-N 3.28Å; F386-K408 HydrophobicContact CE1-CG 4.16Å
387	A	98.3	Very high	97.1	Very high	3 Å²	3	37.4 Å²	37.4	3%	0.025	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	156	176	0	0	0	0	0	112	S383 D385 T401 L402 T403	S383-A387 PolarHBondContact N-O 3.47Å; S383-A387 VanDerWaalsContact N-O 3.11Å; D385-A387 PolarHBondContact O-N 2.88Å; D385-A387 PolarHBondContact OD1-N 3.29Å; A387-T401 HydrophobicContact CB-CG2 4.11Å; A387-L402 VanDerWaalsContact CA-O 3.31Å; A387-L402 WeakPolarHBondContact CA-O 3.26Å; A387-T403 HydrophobicContact CB-CG2 4.12Å
388	S	98.5	Very high	97.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.5	161.5	-56.4	0	0	0	0	109.1	A381 L402	A381-S388 CarbonylContact O-C 3.53Å; A381-S388 VanDerWaalsContact O-CA 3.27Å; A381-S388 WeakPolarHBondContact O-CA 3.38Å; S388-L402 PolarHBondContact N-O 3.47Å; S388-L402 WeakPolarHBondContact O-CB 3.34Å; S388-L402 PolarHBondContact O-N 2.79Å
389	R	98.5	Very high	97.2	Very high	13 Å²	13	39.4 Å²	39.4	5%	0.049	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	150.6	-176	-77.2	176.3	-172.8	77.3	-5.3	111.1	G362 S363 L380 A381 D385 W391 L398 H400 T401	G362-R389 PolarHBondContact O-NE 2.81Å; G362-R389 PolarHBondContact O-NH2 3.41Å; S363-R389 PolarHBondContact OG-NH1 3.07Å; L380-R389 CarbonylContact C-O 3.58Å; L380-R389 WeakPolarHBondContact CA-O 3.4Å; A381-R389 PolarHBondContact N-O 3.18Å; A381-R389 PolarHBondContact O-N 3.34Å; D385-R389 IonicContact OD1-NH1 3.74Å; D385-R389 PolarHBondContact OD1-NH1 3.15Å; D385-R389 VanDerWaalsContact OD1-NH1 3.13Å; D385-R389 IonicContact OD2-CZ 3.85Å; D385-R389 IonicContact OD2-NH1 3.53Å; D385-R389 PolarHBondContact OD2-NH1 2.92Å; D385-R389 IonicContact OD2-NH2 2.78Å; D385-R389 PolarHBondContact OD2-NH2 2.83Å; R389-W391 HydrophobicContact CB-CE3 4.19Å; R389-W391 HydrophobicContact CB-CH2 3.18Å; R389-W391 HydrophobicContact CB-CZ2 3.6Å; R389-W391 HydrophobicContact CB-CZ3 3.48Å; R389-W391 VanDerWaalsContact CB-CZ3 3.48Å; R389-W391 HydrophobicContact CG-CH2 4.2Å; R389-W391 HydrophobicContact CG-CZ2 4.34Å; R389-W391 VanDerWaalsContact O-CZ3 3.22Å; R389-W391 WeakPolarHBondContact O-CZ3 3.37Å; R389-L398 HydrophobicContact CB-CD1 3.77Å; R389-L398 HydrophobicContact CG-CD1 3.89Å; R389-H400 VanDerWaalsContact CA-O 3.25Å; R389-H400 WeakPolarHBondContact CA-O 3.39Å; R389-T401 HydrophobicContact CG-CG2 3.99Å
390	I	98.4	Very high	97.1	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.1	-179.7	-54.6	169.6	0	0	0	109.1	Y378 L379 L380 R399 H400 F414 I421 L435	Y378-I390 HydrophobicContact CD1-CG2 3.82Å; Y378-I390 HydrophobicContact CG-CG2 4.36Å; L379-I390 CarbonylContact O-C 3.5Å; L379-I390 VanDerWaalsContact O-CA 3.26Å; L379-I390 WeakPolarHBondContact O-CA 3.45Å; L380-I390 HydrophobicContact CD1-CG1 3.92Å; I390-R399 PolarHBondContact O-N 2.92Å; I390-H400 HydrophobicContact CB-CB 4.16Å; I390-H400 HydrophobicContact CD1-CB 3.98Å; I390-H400 HydrophobicContact CG1-CB 4.28Å; I390-H400 PolarHBondContact N-O 3.07Å; I390-H400 PolarHBondContact O-N 3.27Å; I390-F414 HydrophobicContact CG2-CZ 4.5Å; I390-I421 HydrophobicContact CD1-CD1 3.35Å; I390-I421 HydrophobicContact CG1-CD1 3.99Å; I390-L435 HydrophobicContact CD1-CD1 3.88Å; I390-L435 HydrophobicContact CD1-CD2 3.27Å; I390-L435 HydrophobicContact CD1-CG 4.2Å
391	W	98.4	Very high	97.1	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.011	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151.1	174.2	-59.1	-104.9	0	0	0	110.4	L360 T361 Y378 L379 A381 R389 R397 L398	L360-W391 HydrophobicContact CB-CD2 3.93Å; L360-W391 HydrophobicContact CB-CG 3.97Å; L360-W391 HydrophobicContact CB-CZ2 4.34Å; L360-W391 HydrophobicContact CD1-CB 3.9Å; L360-W391 HydrophobicContact CD1-CD2 3.98Å; L360-W391 HydrophobicContact CD1-CE3 4.1Å; L360-W391 HydrophobicContact CD1-CG 3.92Å; L360-W391 HydrophobicContact CD2-CB 4Å; L360-W391 HydrophobicContact CD2-CG 4.04Å; L360-W391 HydrophobicContact CG-CB 4.43Å; L360-W391 HydrophobicContact CG-CD2 4.45Å; L360-W391 HydrophobicContact CG-CG 4.2Å; T361-W391 PolarHBondContact O-NE1 3.33Å; Y378-W391 WeakPolarHBondContact CA-O 3.43Å; L379-W391 HydrophobicContact CD2-CE3 3.98Å; L379-W391 HydrophobicContact CD2-CZ3 4.16Å; L379-W391 PolarHBondContact N-O 3.38Å; L379-W391 PolarHBondContact O-N 3.47Å; A381-W391 HydrophobicContact CB-CH2 4.01Å; A381-W391 HydrophobicContact CB-CZ3 3.56Å; R389-W391 HydrophobicContact CB-CE3 4.19Å; R389-W391 HydrophobicContact CB-CH2 3.18Å; R389-W391 HydrophobicContact CB-CZ2 3.6Å; R389-W391 HydrophobicContact CB-CZ3 3.48Å; R389-W391 VanDerWaalsContact CB-CZ3 3.48Å; R389-W391 HydrophobicContact CG-CH2 4.2Å; R389-W391 HydrophobicContact CG-CZ2 4.34Å; R389-W391 VanDerWaalsContact O-CZ3 3.22Å; R389-W391 WeakPolarHBondContact O-CZ3 3.37Å; W391-R397 VanDerWaalsContact CA-O 3.23Å; W391-R397 WeakPolarHBondContact CA-O 3.25Å; W391-L398 VanDerWaalsContact CD1-CA 3.44Å; W391-L398 HydrophobicContact CD2-CD1 4.13Å; W391-L398 HydrophobicContact CG-CD1 4.41Å; W391-L398 HydrophobicContact CZ2-CD1 4.04Å
392	T	96.5	Very high	97	Very high	10 Å²	10	44.5 Å²	44.5	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	138.4	164.8	31.8	0	0	0	0	110.3	S377 Y378 D395 Y396 R397 R399	S377-T392 WeakPolarHBondContact O-CA 3.34Å; Y378-T392 HydrophobicContact CD1-CG2 3.78Å; Y378-T392 HydrophobicContact CE1-CG2 3.33Å; T392-D395 WeakPolarHBondContact CB-OD1 3.2Å; T392-D395 PolarHBondContact OG1-OD1 3.39Å; T392-Y396 WeakPolarHBondContact O-CA 3.48Å; T392-Y396 PolarHBondContact O-N 2.7Å; T392-R397 PolarHBondContact N-O 2.89Å; T392-R397 PolarHBondContact OG1-O 3.28Å; T392-R399 HydrophobicContact CG2-CG 3.86Å; T392-R399 VanDerWaalsContact CG2-NE 3.32Å; T392-R399 VanDerWaalsContact OG1-CZ 3.3Å; T392-R399 PolarHBondContact OG1-NE 2.98Å; T392-R399 PolarHBondContact OG1-NH2 3.11Å
393	M	94.5	Very high	97	Very high	12 Å²	12	49.3 Å²	49.3	6%	0.059	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-21.3	-175.1	-66.4	-55.5	-58.7	0	0	113.9	L334 L346 F372 G376 S377 L379 Y396	L334-M393 HydrophobicContact CD1-CE 3.91Å; L346-M393 HydrophobicContact CD1-CE 3.41Å; L346-M393 VanDerWaalsContact CD1-CE 3.41Å; L346-M393 HydrophobicContact CD1-SD 4.38Å; L346-M393 HydrophobicContact CD2-CE 3.77Å; L346-M393 HydrophobicContact CG-CE 4.23Å; F372-M393 HydrophobicContact CE1-CE 3.86Å; F372-M393 HydrophobicContact CE1-CG 4.22Å; F372-M393 HydrophobicContact CE1-SD 3.96Å; F372-M393 HydrophobicContact CZ-CE 4.46Å; G376-M393 WeakPolarHBondContact O-CG 3.28Å; S377-M393 PolarHBondContact O-N 3.05Å; L379-M393 HydrophobicContact CB-CG 4.38Å; L379-M393 HydrophobicContact CB-SD 3.47Å; L379-M393 WeakPolarHBondContact CB-SD 3.16Å; L379-M393 HydrophobicContact CD1-SD 4.07Å; L379-M393 HydrophobicContact CG-SD 4.44Å; M393-Y396 WeakPolarHBondContact O-CE1 3.34Å
394	D	91.5	Very high	96.9	Very high	145 Å²	145	51.4 Å²	51.4	78%	0.775	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-34.1	-178.6	-60.4	-36.1	0	0	0	113
395	D	92.8	Very high	96.9	Very high	63 Å²	63	50.7 Å²	50.7	34%	0.337	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	4.2	-175.3	69.2	-3.8	0	0	0	113.7	T392 R397 R399	T392-D395 WeakPolarHBondContact CB-OD1 3.2Å; T392-D395 PolarHBondContact OG1-OD1 3.39Å; D395-R397 HydrophobicContact CB-CG 4.29Å; D395-R397 PolarHBondContact O-N 3.28Å; D395-R397 WeakPolarHBondContact OD1-CB 3.46Å; D395-R397 PolarHBondContact OD1-N 2.88Å; D395-R397 VanDerWaalsContact OD1-N 3.11Å; D395-R397 VanDerWaalsContact OD2-CD 3.3Å; D395-R397 WeakPolarHBondContact OD2-CD 3.45Å; D395-R397 WeakPolarHBondContact OD2-CG 3.28Å; D395-R399 IonicContact OD1-NH2 3.22Å; D395-R399 PolarHBondContact OD1-NH2 2.82Å; D395-R399 IonicContact OD2-CZ 3.19Å; D395-R399 IonicContact OD2-NH2 3.37Å; D395-R399 PolarHBondContact OD2-NH2 3.3Å
396	Y	95.6	Very high	96.9	Very high	77 Å²	77	53.9 Å²	53.9	30%	0.302	28%	0.28	S	S	.	.			trans	57	19.4	-179.8	-49.9	-57.9	0	0	0	114.8	L346 K357 L360 T392 M393	L346-Y396 HydrophobicContact CD1-CD1 3.59Å; L346-Y396 HydrophobicContact CD1-CE1 3.39Å; K357-Y396 WeakPolarHBondContact CD-OH 3.45Å; K357-Y396 WeakPolarHBondContact CE-OH 3.25Å; K357-Y396 WeakPolarHBondContact CG-OH 3.3Å; L360-Y396 HydrophobicContact CD2-CD1 3.88Å; L360-Y396 HydrophobicContact CD2-CG 4.24Å; T392-Y396 WeakPolarHBondContact O-CA 3.48Å; T392-Y396 PolarHBondContact O-N 2.7Å; M393-Y396 WeakPolarHBondContact O-CE1 3.34Å
397	R	95.8	Very high	96.9	Very high	164 Å²	164	49.8 Å²	49.8	62%	0.619	26%	0.264	S	S	*	.			trans	-83.8	134.8	-175.8	-70.4	-169.5	173.3	-177.3	-4.1	112.5	W391 T392 D395 R399	W391-R397 VanDerWaalsContact CA-O 3.23Å; W391-R397 WeakPolarHBondContact CA-O 3.25Å; T392-R397 PolarHBondContact N-O 2.89Å; T392-R397 PolarHBondContact OG1-O 3.28Å; D395-R397 HydrophobicContact CB-CG 4.29Å; D395-R397 PolarHBondContact O-N 3.28Å; D395-R397 WeakPolarHBondContact OD1-CB 3.46Å; D395-R397 PolarHBondContact OD1-N 2.88Å; D395-R397 VanDerWaalsContact OD1-N 3.11Å; D395-R397 VanDerWaalsContact OD2-CD 3.3Å; D395-R397 WeakPolarHBondContact OD2-CD 3.45Å; D395-R397 WeakPolarHBondContact OD2-CG 3.28Å; R397-R399 PolarHBondContact O-N 2.5Å
398	L	97.8	Very high	96.9	Very high	72 Å²	72	54.5 Å²	54.5	38%	0.377	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	123.4	169.2	-179.2	66.1	0	0	0	109.6	R389 W391 H400	R389-L398 HydrophobicContact CB-CD1 3.77Å; R389-L398 HydrophobicContact CG-CD1 3.89Å; W391-L398 VanDerWaalsContact CD1-CA 3.44Å; W391-L398 HydrophobicContact CD2-CD1 4.13Å; W391-L398 HydrophobicContact CG-CD1 4.41Å; W391-L398 HydrophobicContact CZ2-CD1 4.04Å; L398-H400 WeakPolarHBondContact CD1-O 3.3Å
399	R	96.2	Very high	96.9	Very high	111 Å²	111	54.5 Å²	54.5	42%	0.419	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-41.6	-179.9	-60.7	-56.7	-179.4	170.8	-2.6	112.8	Y378 I390 T392 D395 R397	Y378-R399 HydrophobicContact CE1-CG 4.45Å; I390-R399 PolarHBondContact O-N 2.92Å; T392-R399 HydrophobicContact CG2-CG 3.86Å; T392-R399 VanDerWaalsContact CG2-NE 3.32Å; T392-R399 VanDerWaalsContact OG1-CZ 3.3Å; T392-R399 PolarHBondContact OG1-NE 2.98Å; T392-R399 PolarHBondContact OG1-NH2 3.11Å; D395-R399 IonicContact OD1-NH2 3.22Å; D395-R399 PolarHBondContact OD1-NH2 2.82Å; D395-R399 IonicContact OD2-CZ 3.19Å; D395-R399 IonicContact OD2-NH2 3.37Å; D395-R399 PolarHBondContact OD2-NH2 3.3Å; R397-R399 PolarHBondContact O-N 2.5Å
400	H	96.5	Very high	96.9	Very high	36 Å²	36	54.7 Å²	54.7	17%	0.167	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	140.4	-175	-57.7	-83.1	0	0	0	111	R389 I390 L398 L402 L435	R389-H400 VanDerWaalsContact CA-O 3.25Å; R389-H400 WeakPolarHBondContact CA-O 3.39Å; I390-H400 HydrophobicContact CB-CB 4.16Å; I390-H400 HydrophobicContact CD1-CB 3.98Å; I390-H400 HydrophobicContact CG1-CB 4.28Å; I390-H400 PolarHBondContact N-O 3.07Å; I390-H400 PolarHBondContact O-N 3.27Å; L398-H400 WeakPolarHBondContact CD1-O 3.3Å; H400-L402 HydrophobicContact CB-CD2 4.31Å; H400-L435 PolarHBondContact CE1-O 2.98Å
401	T	98	Very high	96.9	Very high	63 Å²	63	54.7 Å²	54.7	39%	0.387	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	110.2	166.2	-53.6	0	0	0	0	107.3	A387 R389 T403	A387-T401 HydrophobicContact CB-CG2 4.11Å; R389-T401 HydrophobicContact CG-CG2 3.99Å; T401-T403 HydrophobicContact CG2-CG2 3.96Å; T401-T403 PolarHBondContact O-N 3.01Å
402	L	97.9	Very high	96.9	Very high	8 Å²	8	54.5 Å²	54.5	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	91.1	-177.4	-53.5	-179.4	0	0	0	108.8	A387 S388 H400 I421 W433	A387-L402 VanDerWaalsContact CA-O 3.31Å; A387-L402 WeakPolarHBondContact CA-O 3.26Å; S388-L402 PolarHBondContact N-O 3.47Å; S388-L402 WeakPolarHBondContact O-CB 3.34Å; S388-L402 PolarHBondContact O-N 2.79Å; H400-L402 HydrophobicContact CB-CD2 4.31Å; L402-I421 HydrophobicContact CD1-CD1 4.14Å; L402-I421 HydrophobicContact CD1-CG2 4.39Å; L402-W433 HydrophobicContact CB-CD2 3.99Å; L402-W433 HydrophobicContact CB-CE3 3.9Å; L402-W433 HydrophobicContact CB-CH2 4.13Å; L402-W433 HydrophobicContact CB-CZ2 4.2Å; L402-W433 HydrophobicContact CB-CZ3 3.96Å; L402-W433 HydrophobicContact CD1-CB 4.18Å; L402-W433 HydrophobicContact CD1-CD2 4.09Å; L402-W433 HydrophobicContact CD1-CG 3.88Å; L402-W433 HydrophobicContact CD2-CD2 4.35Å; L402-W433 HydrophobicContact CD2-CE3 4.04Å; L402-W433 HydrophobicContact CG-CD2 4.36Å; L402-W433 HydrophobicContact CG-CE3 4.38Å
403	T	97.4	Very high	97	Very high	101 Å²	101	55.1 Å²	55.1	62%	0.62	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	142	177.1	52.1	0	0	0	0	111	A387 T401 W433	A387-T403 HydrophobicContact CB-CG2 4.12Å; T401-T403 HydrophobicContact CG2-CG2 3.96Å; T401-T403 PolarHBondContact O-N 3.01Å; T403-W433 VanDerWaalsContact O-CH2 3.3Å; T403-W433 WeakPolarHBondContact O-CH2 3.49Å; T403-W433 WeakPolarHBondContact O-CZ3 3.35Å
404	G	96.5	Very high	97.1	Very high	45 Å²	45	55.2 Å²	55.2	46%	0.464	29%	0.286	S	S	.	.			trans	152.8	-13.8	175.1	0	0	0	0	0	115.2	K431	G404-K431 VanDerWaalsContact C-CE 3.43Å; G404-K431 WeakPolarHBondContact O-CE 3.18Å; G404-K431 PolarHBondContact O-NZ 2.9Å; G404-K431 VanDerWaalsContact O-NZ 3.09Å
405	H	98.4	Very high	97.2	Very high	12 Å²	12	48.4 Å²	48.4	6%	0.056	25%	0.25	C	S	.	.			trans	-71.2	151.5	165.9	-80.9	-67.2	0	0	0	110.6	V409 S423 S425 D427 T429	H405-V409 HydrophobicContact CB-CG2 4.1Å; H405-S423 PolarHBondContact CD2-OG 2.74Å; H405-S423 PolarHBondContact NE2-OG 2.91Å; H405-S425 VanDerWaalsContact CE1-CB 3.47Å; H405-S425 WeakPolarHBondContact CE1-CB 3.35Å; H405-S425 WeakPolarHBondContact ND1-CB 3.42Å; H405-D427 VanDerWaalsContact CA-OD2 3.31Å; H405-D427 WeakPolarHBondContact CA-OD2 3.39Å; H405-D427 VanDerWaalsContact CB-OD2 3.31Å; H405-D427 WeakPolarHBondContact CB-OD2 3.4Å; H405-D427 IonicContact CE1-OD1 2.73Å; H405-D427 IonicContact CE1-OD2 2.79Å; H405-D427 IonicContact CG-OD2 3.89Å; H405-D427 IonicContact ND1-OD1 2.81Å; H405-D427 PolarHBondContact ND1-OD1 3.36Å; H405-D427 IonicContact ND1-OD2 3.88Å; H405-D427 PolarHBondContact ND1-OD2 3.03Å; H405-T429 PolarHBondContact CE1-OG1 2.75Å; H405-T429 PolarHBondContact ND1-OG1 3.46Å
406	S	98.1	Very high	97.1	Very high	100 Å²	100	48.4 Å²	48.4	70%	0.699	25%	0.25	S	C	*	.	S	Bend	trans	-105.6	10.6	177.3	58.6	0	0	0	0	113	D427	S406-D427 PolarHBondContact N-OD2 3.36Å; S406-D427 WeakPolarHBondContact OG-CB 3.45Å
407	G	98.4	Very high	96.7	Very high	7 Å²	7	48.2 Å²	48.2	7%	0.072	25%	0.254	C	S	.	.	S	Bend	trans	-154.1	174.1	178.7	0	0	0	0	0	111.5	F386 V409 S425	F386-G407 WeakPolarHBondContact CA-O 3.39Å; F386-G407 WeakPolarHBondContact CB-O 3.36Å; F386-G407 VanDerWaalsContact CD1-O 3.26Å; F386-G407 WeakPolarHBondContact CD1-O 3.3Å; F386-G407 WeakPolarHBondContact CG-O 3.44Å; G407-V409 PolarHBondContact O-N 2.92Å; G407-S425 VanDerWaalsContact C-OG 3.26Å; G407-S425 PolarHBondContact O-OG 3.26Å
408	K	98.6	Very high	96.1	Very high	102 Å²	102	43.1 Å²	43.1	44%	0.443	24%	0.239	S	C	.	.			trans	-52	124.8	-177.9	-64.7	172.5	174.1	-175.1	0	110.6	N384 F386 L410 S425 Y426	N384-K408 HydrophobicContact CB-CG 4.2Å; N384-K408 VanDerWaalsContact OD1-CD 3.32Å; N384-K408 WeakPolarHBondContact OD1-CD 3.48Å; N384-K408 WeakPolarHBondContact OD1-CG 3.47Å; F386-K408 VanDerWaalsContact CD1-N 3.28Å; F386-K408 HydrophobicContact CE1-CG 4.16Å; K408-L410 HydrophobicContact CB-CD2 4.04Å; K408-L410 PolarHBondContact O-N 3.34Å; K408-S425 CarbonylContact O-C 3.58Å; K408-S425 VanDerWaalsContact O-CA 3.3Å; K408-S425 WeakPolarHBondContact O-CA 3.29Å; K408-S425 PolarHBondContact O-OG 3.15Å; K408-Y426 PolarHBondContact O-N 2.81Å
409	V	98.8	Very high	95.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	118.8	171.7	-168.2	0	0	0	0	107	T368 A382 S383 H405 G407 G424	T368-V409 WeakPolarHBondContact CB-O 3.28Å; T368-V409 PolarHBondContact OG1-O 3.07Å; A382-V409 HydrophobicContact CB-CB 4.04Å; A382-V409 HydrophobicContact CB-CG1 3.71Å; S383-V409 PolarHBondContact O-N 2.8Å; S383-V409 VanDerWaalsContact O-N 3.15Å; H405-V409 HydrophobicContact CB-CG2 4.1Å; G407-V409 PolarHBondContact O-N 2.92Å; V409-G424 WeakPolarHBondContact CG1-O 3.48Å
410	L	98.6	Very high	95.6	Very high	17 Å²	17	39.1 Å²	39.1	9%	0.089	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-24.3	-174.4	-58.5	-180	0	0	0	112	T368 K408 G424 C450 N451 R537	T368-L410 HydrophobicContact CG2-CD2 4.36Å; K408-L410 HydrophobicContact CB-CD2 4.04Å; K408-L410 PolarHBondContact O-N 3.34Å; L410-G424 PolarHBondContact N-O 2.85Å; L410-C450 WeakPolarHBondContact CB-O 3.27Å; L410-C450 WeakPolarHBondContact CD1-O 3.3Å; L410-N451 WeakPolarHBondContact CD1-OD1 3.44Å; L410-R537 PolarHBondContact O-NH2 3.38Å
411	S	98.4	Very high	95.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.3	174	-166.6	0	0	0	0	111.6	S369 S423 G424 D452 I453	S369-S411 WeakPolarHBondContact OG-CA 3.39Å; S411-S423 CarbonylContact O-C 3.54Å; S411-S423 WeakPolarHBondContact O-CA 3.35Å; S411-G424 PolarHBondContact N-O 2.95Å; S411-G424 PolarHBondContact O-N 2.99Å; S411-D452 WeakPolarHBondContact CB-OD1 3.28Å; S411-D452 PolarHBondContact OG-OD1 2.92Å; S411-I453 PolarHBondContact OG-N 3.31Å
412	A	98.4	Very high	95.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	137.2	169.2	0	0	0	0	0	109.6	S369 L380 A382 I421 V422	S369-A412 PolarHBondContact OG-N 3.49Å; S369-A412 VanDerWaalsContact OG-N 3.16Å; L380-A412 HydrophobicContact CD1-CB 4.13Å; L380-A412 VanDerWaalsContact CD2-C 3.45Å; L380-A412 HydrophobicContact CD2-CB 3.77Å; L380-A412 WeakPolarHBondContact CD2-O 3.22Å; L380-A412 HydrophobicContact CG-CB 4.02Å; A382-A412 HydrophobicContact CB-CB 3.96Å; A412-I421 HydrophobicContact CB-CG2 4.48Å; A412-V422 CarbonylContact C-O 3.56Å; A412-V422 VanDerWaalsContact CA-O 3.26Å; A412-V422 WeakPolarHBondContact CA-O 3.39Å
413	R	98.1	Very high	95.7	Very high	22 Å²	22	34.4 Å²	34.4	8%	0.083	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	145	-175.8	-63	-60.2	-173.9	119.2	10.8	112.2	D371 I421 V422 D452 I453	D371-R413 VanDerWaalsContact CG-CD 3.45Å; D371-R413 IonicContact OD1-NH1 3.94Å; D371-R413 PolarHBondContact OD1-NH1 2.81Å; D371-R413 WeakPolarHBondContact OD2-CA 3.3Å; D371-R413 WeakPolarHBondContact OD2-CD 3.4Å; R413-I421 WeakPolarHBondContact O-CA 3.07Å; R413-I421 WeakPolarHBondContact O-CG2 3.31Å; R413-V422 PolarHBondContact N-O 3.4Å; R413-V422 PolarHBondContact O-N 3.26Å; R413-D452 IonicContact NH2-OD1 3.19Å; R413-I453 HydrophobicContact CG-CB 4.38Å; R413-I453 HydrophobicContact CG-CG2 4.38Å; R413-I453 VanDerWaalsContact CG-O 3.24Å; R413-I453 WeakPolarHBondContact CG-O 3.31Å; R413-I453 PolarHBondContact NE-O 3.46Å
414	F	97.1	Very high	95.8	Very high	14 Å²	14	29.6 Å²	29.6	6%	0.061	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	140.5	166.1	-70.5	-78.4	0	0	0	110.3	D371 D373 L380 I390 I421 L435	D371-F414 HydrophobicContact CB-CD2 4.41Å; D371-F414 PolarHBondContact OD2-N 3.38Å; D371-F414 VanDerWaalsContact OD2-N 3.09Å; D373-F414 HydrophobicContact CB-CD2 4.1Å; D373-F414 HydrophobicContact CB-CE1 4.44Å; D373-F414 HydrophobicContact CB-CE2 4.01Å; D373-F414 HydrophobicContact CB-CG 4.35Å; D373-F414 HydrophobicContact CB-CZ 4.19Å; L380-F414 HydrophobicContact CB-CD2 4.13Å; L380-F414 HydrophobicContact CB-CE2 3.42Å; L380-F414 VanDerWaalsContact CB-CE2 3.42Å; L380-F414 HydrophobicContact CB-CZ 3.75Å; L380-F414 HydrophobicContact CD2-CD2 4.29Å; L380-F414 HydrophobicContact CD2-CE2 4.32Å; I390-F414 HydrophobicContact CG2-CZ 4.5Å; F414-I421 HydrophobicContact CD1-CD1 4.01Å; F414-I421 HydrophobicContact CD1-CG1 3.82Å; F414-I421 HydrophobicContact CE1-CD1 3.75Å; F414-I421 HydrophobicContact CE1-CG1 4.07Å; F414-I421 HydrophobicContact CZ-CD1 4.36Å; F414-L435 HydrophobicContact CD1-CD1 4.45Å; F414-L435 HydrophobicContact CE1-CD1 3.95Å
415	L	94.4	Very high	95.9	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.016	15%	0.148	C	C	.	.			trans	-76.4	158.9	159.8	-80.3	73.3	0	0	0	108.8	D417 N418 R420 V422 L432 I474	L415-D417 PolarHBondContact O-N 3.27Å; L415-N418 PolarHBondContact O-N 3.02Å; L415-R420 HydrophobicContact CB-CB 4.29Å; L415-R420 HydrophobicContact CD1-CB 4.12Å; L415-R420 HydrophobicContact CD2-CB 4.09Å; L415-R420 HydrophobicContact CG-CB 4.41Å; L415-R420 PolarHBondContact N-O 2.9Å; L415-V422 HydrophobicContact CD1-CB 4.28Å; L415-V422 HydrophobicContact CD1-CG2 3.46Å; L415-V422 VanDerWaalsContact CD1-CG2 3.46Å; L415-L432 HydrophobicContact CD1-CD1 4.03Å; L415-L432 HydrophobicContact CD2-CD1 4.12Å; L415-I474 HydrophobicContact CD2-CD1 4.18Å; L415-I474 HydrophobicContact CD2-CG2 4.29Å
416	L	89.4	Confident	95.9	Very high	62 Å²	62	33.5 Å²	33.5	33%	0.325	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.9	-177.6	-82.4	72	0	0	0	113.8	N418 C455 E457	L416-N418 PolarHBondContact O-N 2.96Å; L416-C455 HydrophobicContact CD1-CB 4.5Å; L416-E457 HydrophobicContact CB-CG 4.46Å; L416-E457 HydrophobicContact CD2-CG 3.43Å; L416-E457 VanDerWaalsContact CD2-CG 3.43Å; L416-E457 HydrophobicContact CG-CG 4.49Å
417	D	86.9	Confident	95.9	Very high	74 Å²	74	30 Å²	30	40%	0.396	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.7	172	60.4	30.3	0	0	0	113.7	L415 A419 R420	L415-D417 PolarHBondContact O-N 3.27Å; D417-A419 PolarHBondContact O-N 3.04Å; D417-A419 PolarHBondContact OD1-N 3.47Å; D417-R420 PolarHBondContact OD1-N 3.12Å; D417-R420 IonicContact OD2-CZ 2.7Å; D417-R420 IonicContact OD2-NE 3.79Å; D417-R420 PolarHBondContact OD2-NE 3.25Å; D417-R420 IonicContact OD2-NH2 3.28Å; D417-R420 PolarHBondContact OD2-NH2 3.47Å
418	N	83.1	Confident	95.9	Very high	57 Å²	57	35.9 Å²	35.9	31%	0.305	17%	0.165	S	C	.	.	S	Bend	trans	50.2	10.2	-174.2	-64.5	-39.6	0	0	0	114.9	S374 L415 L416	S374-N418 PolarHBondContact OG-ND2 3.33Å; L415-N418 PolarHBondContact O-N 3.02Å; L416-N418 PolarHBondContact O-N 2.96Å
419	A	90.3	Very high	95.9	Very high	35 Å²	35	32.1 Å²	32.1	29%	0.289	15%	0.151	S	C	.	.	S	Bend	trans	-101.5	-24.2	178.8	0	0	0	0	0	110.8	D417 L435	D417-A419 PolarHBondContact O-N 3.04Å; D417-A419 PolarHBondContact OD1-N 3.47Å; A419-L435 WeakPolarHBondContact O-CB 3.47Å; A419-L435 WeakPolarHBondContact O-CG 3.34Å; A419-L435 PolarHBondContact O-N 2.97Å
420	R	94.6	Very high	95.8	Very high	64 Å²	64	32.6 Å²	32.6	24%	0.242	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.6	-176	-59.9	-174.9	-69.9	165.9	2.6	112.1	L415 D417 L432 W433 M441	L415-R420 HydrophobicContact CB-CB 4.29Å; L415-R420 HydrophobicContact CD1-CB 4.12Å; L415-R420 HydrophobicContact CD2-CB 4.09Å; L415-R420 HydrophobicContact CG-CB 4.41Å; L415-R420 PolarHBondContact N-O 2.9Å; D417-R420 PolarHBondContact OD1-N 3.12Å; D417-R420 IonicContact OD2-CZ 2.7Å; D417-R420 IonicContact OD2-NE 3.79Å; D417-R420 PolarHBondContact OD2-NE 3.25Å; D417-R420 IonicContact OD2-NH2 3.28Å; D417-R420 PolarHBondContact OD2-NH2 3.47Å; R420-L432 HydrophobicContact CB-CD1 4.24Å; R420-W433 WeakPolarHBondContact CA-O 3.3Å; R420-W433 WeakPolarHBondContact CB-O 3.43Å; R420-M441 HydrophobicContact CB-CE 4.4Å; R420-M441 HydrophobicContact CG-CE 3.73Å
421	I	97.5	Very high	95.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.1	176.6	-65	-174.5	0	0	0	109.2	L380 I390 L402 A412 R413 F414 L432 W433 L435	L380-I421 HydrophobicContact CD1-CD1 3.81Å; L380-I421 HydrophobicContact CD1-CG2 4.38Å; L380-I421 HydrophobicContact CD2-CD1 3.86Å; L380-I421 HydrophobicContact CD2-CG1 4.36Å; L380-I421 HydrophobicContact CD2-CG2 3.73Å; L380-I421 HydrophobicContact CG-CD1 4.33Å; I390-I421 HydrophobicContact CD1-CD1 3.35Å; I390-I421 HydrophobicContact CG1-CD1 3.99Å; L402-I421 HydrophobicContact CD1-CD1 4.14Å; L402-I421 HydrophobicContact CD1-CG2 4.39Å; A412-I421 HydrophobicContact CB-CG2 4.48Å; R413-I421 WeakPolarHBondContact O-CA 3.07Å; R413-I421 WeakPolarHBondContact O-CG2 3.31Å; F414-I421 HydrophobicContact CD1-CD1 4.01Å; F414-I421 HydrophobicContact CD1-CG1 3.82Å; F414-I421 HydrophobicContact CE1-CD1 3.75Å; F414-I421 HydrophobicContact CE1-CG1 4.07Å; F414-I421 HydrophobicContact CZ-CD1 4.36Å; I421-L432 WeakPolarHBondContact O-CA 3.39Å; I421-W433 HydrophobicContact CB-CB 4.34Å; I421-W433 PolarHBondContact N-O 3.42Å; I421-W433 PolarHBondContact O-N 2.85Å; I421-L435 HydrophobicContact CD1-CD1 3.95Å; I421-L435 HydrophobicContact CD1-CD2 3.69Å; I421-L435 HydrophobicContact CD1-CG 4.23Å; I421-L435 HydrophobicContact CG1-CD1 4.07Å; I421-L435 HydrophobicContact CG1-CD2 4.07Å; I421-L435 HydrophobicContact CG1-CG 4.24Å
422	V	98.1	Very high	95.7	Very high	7 Å²	7	34 Å²	34	4%	0.042	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.2	163	179.8	0	0	0	0	109.3	A412 R413 L415 L430 K431 L432 I453 V460	A412-V422 CarbonylContact C-O 3.56Å; A412-V422 VanDerWaalsContact CA-O 3.26Å; A412-V422 WeakPolarHBondContact CA-O 3.39Å; R413-V422 PolarHBondContact N-O 3.4Å; R413-V422 PolarHBondContact O-N 3.26Å; L415-V422 HydrophobicContact CD1-CB 4.28Å; L415-V422 HydrophobicContact CD1-CG2 3.46Å; L415-V422 VanDerWaalsContact CD1-CG2 3.46Å; V422-L430 HydrophobicContact CG1-CB 4.47Å; V422-K431 CarbonylContact C-O 3.59Å; V422-K431 VanDerWaalsContact CA-O 3.32Å; V422-K431 WeakPolarHBondContact CA-O 3.44Å; V422-L432 HydrophobicContact CG2-CD1 3.7Å; V422-I453 HydrophobicContact CG1-CD1 3.93Å; V422-I453 HydrophobicContact CG1-CG2 4.28Å; V422-V460 HydrophobicContact CG1-CG1 4.11Å; V422-V460 HydrophobicContact CG2-CG1 4.39Å; V422-V460 HydrophobicContact CG2-CG2 3.79Å
423	S	98.6	Very high	95.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.7	168.5	63.1	0	0	0	0	111.4	H405 S411 L430 K431 W433 I453	H405-S423 PolarHBondContact CD2-OG 2.74Å; H405-S423 PolarHBondContact NE2-OG 2.91Å; S411-S423 CarbonylContact O-C 3.54Å; S411-S423 WeakPolarHBondContact O-CA 3.35Å; S423-L430 CarbonylContact O-C 3.6Å; S423-L430 VanDerWaalsContact O-CA 3.28Å; S423-L430 WeakPolarHBondContact O-CA 3.45Å; S423-K431 PolarHBondContact N-O 3.37Å; S423-K431 PolarHBondContact O-N 3.41Å; S423-W433 PolarHBondContact OG-NE1 3.49Å; S423-I453 VanDerWaalsContact C-CD1 3.46Å
424	G	98.6	Very high	95.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.1	-178.7	0	0	0	0	0	110.1	V409 L410 S411	V409-G424 WeakPolarHBondContact CG1-O 3.48Å; L410-G424 PolarHBondContact N-O 2.85Å; S411-G424 PolarHBondContact N-O 2.95Å; S411-G424 PolarHBondContact O-N 2.99Å
425	S	98.7	Very high	95.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	159.4	-167.9	174.4	0	0	0	0	113.3	H405 G407 K408 D427 R428 T429 C450	H405-S425 VanDerWaalsContact CE1-CB 3.47Å; H405-S425 WeakPolarHBondContact CE1-CB 3.35Å; H405-S425 WeakPolarHBondContact ND1-CB 3.42Å; G407-S425 VanDerWaalsContact C-OG 3.26Å; G407-S425 PolarHBondContact O-OG 3.26Å; K408-S425 CarbonylContact O-C 3.58Å; K408-S425 VanDerWaalsContact O-CA 3.3Å; K408-S425 WeakPolarHBondContact O-CA 3.29Å; K408-S425 PolarHBondContact O-OG 3.15Å; S425-D427 VanDerWaalsContact CB-OD1 3.28Å; S425-D427 WeakPolarHBondContact CB-OD1 3.32Å; S425-D427 PolarHBondContact O-N 2.92Å; S425-D427 VanDerWaalsContact OG-CG 3.23Å; S425-D427 PolarHBondContact OG-N 3.48Å; S425-D427 VanDerWaalsContact OG-N 3.08Å; S425-D427 PolarHBondContact OG-OD1 2.75Å; S425-D427 PolarHBondContact OG-OD2 3.16Å; S425-R428 PolarHBondContact O-N 3Å; S425-R428 VanDerWaalsContact O-N 3.17Å; S425-T429 PolarHBondContact N-O 3.13Å; S425-C450 PolarHBondContact O-N 2.84Å; S425-C450 VanDerWaalsContact O-N 3.07Å
426	Y	98.4	Very high	95.3	Very high	140 Å²	140	45.6 Å²	45.6	55%	0.549	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.1	166.6	-167.2	-96.5	0	0	0	112.8	K408 R428 S449	K408-Y426 PolarHBondContact O-N 2.81Å; Y426-R428 PolarHBondContact O-N 3.19Å; Y426-R428 VanDerWaalsContact O-N 3.08Å; Y426-S449 WeakPolarHBondContact CA-OG 3.47Å; Y426-S449 VanDerWaalsContact CD2-OG 3.23Å; Y426-S449 WeakPolarHBondContact CD2-OG 3.22Å
427	D	98.4	Very high	95.4	Very high	27 Å²	27	45.4 Å²	45.4	14%	0.144	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	1.7	172.7	70.1	18.4	0	0	0	114.5	H405 S406 S425 T429	H405-D427 VanDerWaalsContact CA-OD2 3.31Å; H405-D427 WeakPolarHBondContact CA-OD2 3.39Å; H405-D427 VanDerWaalsContact CB-OD2 3.31Å; H405-D427 WeakPolarHBondContact CB-OD2 3.4Å; H405-D427 IonicContact CE1-OD1 2.73Å; H405-D427 IonicContact CE1-OD2 2.79Å; H405-D427 IonicContact CG-OD2 3.89Å; H405-D427 IonicContact ND1-OD1 2.81Å; H405-D427 PolarHBondContact ND1-OD1 3.36Å; H405-D427 IonicContact ND1-OD2 3.88Å; H405-D427 PolarHBondContact ND1-OD2 3.03Å; S406-D427 PolarHBondContact N-OD2 3.36Å; S406-D427 WeakPolarHBondContact OG-CB 3.45Å; S425-D427 VanDerWaalsContact CB-OD1 3.28Å; S425-D427 WeakPolarHBondContact CB-OD1 3.32Å; S425-D427 PolarHBondContact O-N 2.92Å; S425-D427 VanDerWaalsContact OG-CG 3.23Å; S425-D427 PolarHBondContact OG-N 3.48Å; S425-D427 VanDerWaalsContact OG-N 3.08Å; S425-D427 PolarHBondContact OG-OD1 2.75Å; S425-D427 PolarHBondContact OG-OD2 3.16Å; D427-T429 VanDerWaalsContact C-N 3.26Å; D427-T429 VanDerWaalsContact CG-OG1 3.29Å; D427-T429 PolarHBondContact O-N 3.15Å; D427-T429 WeakPolarHBondContact OD1-CA 3.35Å; D427-T429 WeakPolarHBondContact OD1-CB 3.07Å; D427-T429 PolarHBondContact OD1-N 3.2Å; D427-T429 PolarHBondContact OD1-OG1 3.45Å; D427-T429 PolarHBondContact OD2-OG1 3.47Å
428	R	98.4	Very high	95.7	Very high	130 Å²	130	48.9 Å²	48.9	49%	0.491	22%	0.223	S	C	.	.	S	Bend	trans	68.5	22.3	179.6	-43.7	-177.3	-73.1	171.5	-5.1	113.5	S425 Y426 F445 A446 S448	S425-R428 PolarHBondContact O-N 3Å; S425-R428 VanDerWaalsContact O-N 3.17Å; Y426-R428 PolarHBondContact O-N 3.19Å; Y426-R428 VanDerWaalsContact O-N 3.08Å; R428-F445 HydrophobicContact CB-CD2 4.46Å; R428-F445 HydrophobicContact CB-CE2 3.94Å; R428-A446 WeakPolarHBondContact O-CB 3.38Å; R428-A446 PolarHBondContact O-N 2.92Å; R428-S448 WeakPolarHBondContact CA-O 3.32Å
429	T	98.3	Very high	96.2	Very high	22 Å²	22	49.8 Å²	49.8	14%	0.135	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	153.1	174.6	73	0	0	0	0	112.1	H405 S425 D427 T443 V444	H405-T429 PolarHBondContact CE1-OG1 2.75Å; H405-T429 PolarHBondContact ND1-OG1 3.46Å; S425-T429 PolarHBondContact N-O 3.13Å; D427-T429 VanDerWaalsContact C-N 3.26Å; D427-T429 VanDerWaalsContact CG-OG1 3.29Å; D427-T429 PolarHBondContact O-N 3.15Å; D427-T429 WeakPolarHBondContact OD1-CA 3.35Å; D427-T429 WeakPolarHBondContact OD1-CB 3.07Å; D427-T429 PolarHBondContact OD1-N 3.2Å; D427-T429 PolarHBondContact OD1-OG1 3.45Å; D427-T429 PolarHBondContact OD2-OG1 3.47Å; T429-T443 HydrophobicContact CG2-CG2 4.03Å; T429-V444 CarbonylContact C-O 3.59Å; T429-V444 WeakPolarHBondContact CA-O 2.9Å; T429-V444 WeakPolarHBondContact CB-O 3.4Å
430	L	98.3	Very high	96.5	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.1	161.5	-55.8	-175.7	0	0	0	108.5	V422 S423 T443 V444 A446 C450 I453 W472	V422-L430 HydrophobicContact CG1-CB 4.47Å; S423-L430 CarbonylContact O-C 3.6Å; S423-L430 VanDerWaalsContact O-CA 3.28Å; S423-L430 WeakPolarHBondContact O-CA 3.45Å; L430-T443 WeakPolarHBondContact O-CA 3.34Å; L430-V444 PolarHBondContact N-O 3.4Å; L430-V444 PolarHBondContact O-N 3.23Å; L430-A446 HydrophobicContact CG-CB 4.04Å; L430-C450 HydrophobicContact CD2-CB 3.97Å; L430-I453 HydrophobicContact CD2-CD1 4.07Å; L430-I453 HydrophobicContact CD2-CG1 4.37Å; L430-W472 HydrophobicContact CD1-CD2 4.14Å; L430-W472 HydrophobicContact CD1-CG 4.31Å; L430-W472 HydrophobicContact CD1-CZ2 3.99Å
431	K	98	Very high	96.5	Very high	22 Å²	22	51.3 Å²	51.3	10%	0.096	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.3	172.4	-72.5	178.3	-174.3	-88.6	0	110.7	G404 V422 S423 W433 K442 T443	G404-K431 VanDerWaalsContact C-CE 3.43Å; G404-K431 WeakPolarHBondContact O-CE 3.18Å; G404-K431 PolarHBondContact O-NZ 2.9Å; G404-K431 VanDerWaalsContact O-NZ 3.09Å; V422-K431 CarbonylContact C-O 3.59Å; V422-K431 VanDerWaalsContact CA-O 3.32Å; V422-K431 WeakPolarHBondContact CA-O 3.44Å; S423-K431 PolarHBondContact N-O 3.37Å; S423-K431 PolarHBondContact O-N 3.41Å; K431-W433 HydrophobicContact CB-CZ2 3.7Å; K431-W433 HydrophobicContact CD-CH2 3.94Å; K431-W433 HydrophobicContact CD-CZ2 3.52Å; K431-W433 HydrophobicContact CG-CZ2 4.25Å; K431-W433 PolarHBondContact O-NE1 2.88Å; K431-K442 VanDerWaalsContact CA-O 3.31Å; K431-K442 WeakPolarHBondContact CA-O 3.25Å; K431-T443 HydrophobicContact CG-CG2 4.06Å; K431-T443 PolarHBondContact NZ-OG1 2.84Å
432	L	96.9	Very high	96.3	Very high	25 Å²	25	54.4 Å²	54.4	13%	0.131	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.1	173.6	-178.2	68.5	0	0	0	108.3	L415 R420 I421 V422 C440 M441 K442	L415-L432 HydrophobicContact CD1-CD1 4.03Å; L415-L432 HydrophobicContact CD2-CD1 4.12Å; R420-L432 HydrophobicContact CB-CD1 4.24Å; I421-L432 WeakPolarHBondContact O-CA 3.39Å; V422-L432 HydrophobicContact CG2-CD1 3.7Å; L432-C440 CarbonylContact O-C 3.47Å; L432-M441 HydrophobicContact CD1-CE 4.28Å; L432-M441 HydrophobicContact CD2-CE 3.71Å; L432-M441 HydrophobicContact CG-CE 3.53Å; L432-M441 PolarHBondContact O-N 3.35Å; L432-K442 HydrophobicContact CB-CB 4.28Å; L432-K442 PolarHBondContact N-O 2.9Å; L432-K442 PolarHBondContact O-N 3.01Å
433	W	97.4	Very high	96.3	Very high	7 Å²	7	57.4 Å²	57.4	3%	0.027	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.4	-175.4	-48.3	84.5	0	0	0	110	L402 T403 R420 I421 S423 K431 C440	L402-W433 HydrophobicContact CB-CD2 3.99Å; L402-W433 HydrophobicContact CB-CE3 3.9Å; L402-W433 HydrophobicContact CB-CH2 4.13Å; L402-W433 HydrophobicContact CB-CZ2 4.2Å; L402-W433 HydrophobicContact CB-CZ3 3.96Å; L402-W433 HydrophobicContact CD1-CB 4.18Å; L402-W433 HydrophobicContact CD1-CD2 4.09Å; L402-W433 HydrophobicContact CD1-CG 3.88Å; L402-W433 HydrophobicContact CD2-CD2 4.35Å; L402-W433 HydrophobicContact CD2-CE3 4.04Å; L402-W433 HydrophobicContact CG-CD2 4.36Å; L402-W433 HydrophobicContact CG-CE3 4.38Å; T403-W433 VanDerWaalsContact O-CH2 3.3Å; T403-W433 WeakPolarHBondContact O-CH2 3.49Å; T403-W433 WeakPolarHBondContact O-CZ3 3.35Å; R420-W433 WeakPolarHBondContact CA-O 3.3Å; R420-W433 WeakPolarHBondContact CB-O 3.43Å; I421-W433 HydrophobicContact CB-CB 4.34Å; I421-W433 PolarHBondContact N-O 3.42Å; I421-W433 PolarHBondContact O-N 2.85Å; S423-W433 PolarHBondContact OG-NE1 3.49Å; K431-W433 HydrophobicContact CB-CZ2 3.7Å; K431-W433 HydrophobicContact CD-CH2 3.94Å; K431-W433 HydrophobicContact CD-CZ2 3.52Å; K431-W433 HydrophobicContact CG-CZ2 4.25Å; K431-W433 PolarHBondContact O-NE1 2.88Å; W433-C440 HydrophobicContact CD2-CB 4.39Å; W433-C440 HydrophobicContact CE3-CB 3.72Å; W433-C440 HydrophobicContact CH2-CB 4.17Å; W433-C440 HydrophobicContact CZ3-CB 3.6Å
434	D	95.5	Very high	96.2	Very high	34 Å²	34	59 Å²	59	18%	0.182	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.2	166.9	171.8	15.8	0	0	0	109.3	R436 S437 K438 V439 M441	D434-R436 VanDerWaalsContact C-N 3.34Å; D434-R436 WeakPolarHBondContact OD1-CB 3.44Å; D434-R436 PolarHBondContact OD1-N 2.99Å; D434-S437 VanDerWaalsContact CB-OG 3.3Å; D434-S437 WeakPolarHBondContact CB-OG 3.23Å; D434-S437 WeakPolarHBondContact OD2-CB 3.39Å; D434-S437 PolarHBondContact OD2-N 3.36Å; D434-S437 PolarHBondContact OD2-OG 3Å; D434-K438 VanDerWaalsContact O-CA 3.26Å; D434-K438 WeakPolarHBondContact O-CA 3.49Å; D434-K438 PolarHBondContact O-N 3.14Å; D434-V439 PolarHBondContact N-O 2.9Å; D434-V439 VanDerWaalsContact N-O 3.08Å; D434-V439 PolarHBondContact O-N 3.22Å; D434-M441 HydrophobicContact CB-CE 3.73Å; D434-M441 HydrophobicContact CB-CG 3.82Å; D434-M441 HydrophobicContact CB-SD 3.63Å
435	L	93.2	Very high	96.1	Very high	25 Å²	25	65.1 Å²	65.1	13%	0.131	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-25.9	-177.5	-59.1	-175.8	0	0	0	112.9	I390 H400 F414 A419 I421	I390-L435 HydrophobicContact CD1-CD1 3.88Å; I390-L435 HydrophobicContact CD1-CD2 3.27Å; I390-L435 HydrophobicContact CD1-CG 4.2Å; H400-L435 PolarHBondContact CE1-O 2.98Å; F414-L435 HydrophobicContact CD1-CD1 4.45Å; F414-L435 HydrophobicContact CE1-CD1 3.95Å; A419-L435 WeakPolarHBondContact O-CB 3.47Å; A419-L435 WeakPolarHBondContact O-CG 3.34Å; A419-L435 PolarHBondContact O-N 2.97Å; I421-L435 HydrophobicContact CD1-CD1 3.95Å; I421-L435 HydrophobicContact CD1-CD2 3.69Å; I421-L435 HydrophobicContact CD1-CG 4.23Å; I421-L435 HydrophobicContact CG1-CD1 4.07Å; I421-L435 HydrophobicContact CG1-CD2 4.07Å; I421-L435 HydrophobicContact CG1-CG 4.24Å
436	R	92.3	Very high	96	Very high	216 Å²	216	65.2 Å²	65.2	82%	0.815	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-50.4	179.5	-173.8	179.5	-65.4	-176.4	0.9	110.9	D434	D434-R436 VanDerWaalsContact C-N 3.34Å; D434-R436 WeakPolarHBondContact OD1-CB 3.44Å; D434-R436 PolarHBondContact OD1-N 2.99Å
437	S	92.2	Very high	95.8	Very high	59 Å²	59	60 Å²	60	41%	0.413	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.5	178.4	57.6	0	0	0	0	113.3	D434 V439	D434-S437 VanDerWaalsContact CB-OG 3.3Å; D434-S437 WeakPolarHBondContact CB-OG 3.23Å; D434-S437 WeakPolarHBondContact OD2-CB 3.39Å; D434-S437 PolarHBondContact OD2-N 3.36Å; D434-S437 PolarHBondContact OD2-OG 3Å; S437-V439 VanDerWaalsContact C-N 3.26Å; S437-V439 PolarHBondContact O-N 3.33Å; S437-V439 WeakPolarHBondContact OG-CG2 3.26Å
438	K	92.4	Very high	95.8	Very high	147 Å²	147	59.3 Å²	59.3	64%	0.639	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	33.6	178.8	-51.3	177.3	-175.1	178.5	0	113	D434	D434-K438 VanDerWaalsContact O-CA 3.26Å; D434-K438 WeakPolarHBondContact O-CA 3.49Å; D434-K438 PolarHBondContact O-N 3.14Å
439	V	94.1	Very high	95.8	Very high	76 Å²	76	53.5 Å²	53.5	46%	0.461	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	153.8	179.1	-60.2	0	0	0	0	112.3	D434 S437 M441	D434-V439 PolarHBondContact N-O 2.9Å; D434-V439 VanDerWaalsContact N-O 3.08Å; D434-V439 PolarHBondContact O-N 3.22Å; S437-V439 VanDerWaalsContact C-N 3.26Å; S437-V439 PolarHBondContact O-N 3.33Å; S437-V439 WeakPolarHBondContact OG-CG2 3.26Å; V439-M441 PolarHBondContact O-N 3.33Å
440	C	96.9	Very high	95.8	Very high	46 Å²	46	52.5 Å²	52.5	31%	0.311	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	105.1	162.7	177.1	0	0	0	0	108.1	L432 W433 K442	L432-C440 CarbonylContact O-C 3.47Å; W433-C440 HydrophobicContact CD2-CB 4.39Å; W433-C440 HydrophobicContact CE3-CB 3.72Å; W433-C440 HydrophobicContact CH2-CB 4.17Å; W433-C440 HydrophobicContact CZ3-CB 3.6Å; C440-K442 PolarHBondContact SG-O 3.42Å
441	M	94.5	Very high	95.8	Very high	84 Å²	84	52.4 Å²	52.4	41%	0.414	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-41.8	178.8	-69.6	-172.1	-72.9	0	0	111.9	R420 L432 D434 V439	R420-M441 HydrophobicContact CB-CE 4.4Å; R420-M441 HydrophobicContact CG-CE 3.73Å; L432-M441 HydrophobicContact CD1-CE 4.28Å; L432-M441 HydrophobicContact CD2-CE 3.71Å; L432-M441 HydrophobicContact CG-CE 3.53Å; L432-M441 PolarHBondContact O-N 3.35Å; D434-M441 HydrophobicContact CB-CE 3.73Å; D434-M441 HydrophobicContact CB-CG 3.82Å; D434-M441 HydrophobicContact CB-SD 3.63Å; V439-M441 PolarHBondContact O-N 3.33Å
442	K	94.1	Very high	95.8	Very high	65 Å²	65	51.5 Å²	51.5	28%	0.283	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	142.6	-174.8	-161	172.9	-171.2	174.8	0	111.6	K431 L432 C440 V444 E477	K431-K442 VanDerWaalsContact CA-O 3.31Å; K431-K442 WeakPolarHBondContact CA-O 3.25Å; L432-K442 HydrophobicContact CB-CB 4.28Å; L432-K442 PolarHBondContact N-O 2.9Å; L432-K442 PolarHBondContact O-N 3.01Å; C440-K442 PolarHBondContact SG-O 3.42Å; K442-V444 HydrophobicContact CD-CG2 3.79Å; K442-V444 HydrophobicContact CG-CG2 3.83Å; K442-E477 HydrophobicContact CD-CB 4.33Å; K442-E477 WeakPolarHBondContact CD-OE2 3.32Å; K442-E477 WeakPolarHBondContact CE-OE2 3.49Å; K442-E477 PolarHBondContact NZ-O 3.35Å; K442-E477 VanDerWaalsContact NZ-O 3.09Å; K442-E477 IonicContact NZ-OE2 2.74Å; K442-E477 PolarHBondContact NZ-OE2 3.46Å
443	T	96.8	Very high	95.9	Very high	70 Å²	70	50.3 Å²	50.3	43%	0.429	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.4	166.3	-57	0	0	0	0	107.9	T429 L430 K431	T429-T443 HydrophobicContact CG2-CG2 4.03Å; L430-T443 WeakPolarHBondContact O-CA 3.34Å; K431-T443 HydrophobicContact CG-CG2 4.06Å; K431-T443 PolarHBondContact NZ-OG1 2.84Å
444	V	96.4	Very high	95.9	Very high	34 Å²	34	50.1 Å²	50.1	21%	0.206	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.8	-177.8	-175.1	0	0	0	0	109	T429 L430 K442 A446 W472	T429-V444 CarbonylContact C-O 3.59Å; T429-V444 WeakPolarHBondContact CA-O 2.9Å; T429-V444 WeakPolarHBondContact CB-O 3.4Å; L430-V444 PolarHBondContact N-O 3.4Å; L430-V444 PolarHBondContact O-N 3.23Å; K442-V444 HydrophobicContact CD-CG2 3.79Å; K442-V444 HydrophobicContact CG-CG2 3.83Å; V444-A446 PolarHBondContact O-N 3.41Å; V444-W472 HydrophobicContact CG1-CE3 4.06Å; V444-W472 HydrophobicContact CG1-CH2 3.83Å; V444-W472 HydrophobicContact CG1-CZ3 3.35Å
445	F	96.7	Very high	95.9	Very high	129 Å²	129	48.7 Å²	48.7	57%	0.566	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	122.4	173.6	179.4	-114.8	0	0	0	110	R428	R428-F445 HydrophobicContact CB-CD2 4.46Å; R428-F445 HydrophobicContact CB-CE2 3.94Å
446	A	95.6	Very high	96	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	25%	0.249	C	C	.	.			trans	-101.8	7.8	-172.4	0	0	0	0	0	113.6	R428 L430 V444 S448 R470 W472	R428-A446 WeakPolarHBondContact O-CB 3.38Å; R428-A446 PolarHBondContact O-N 2.92Å; L430-A446 HydrophobicContact CG-CB 4.04Å; V444-A446 PolarHBondContact O-N 3.41Å; A446-S448 PolarHBondContact O-N 2.93Å; A446-R470 WeakPolarHBondContact O-CD 3.29Å; A446-R470 PolarHBondContact O-NE 3.43Å; A446-R470 PolarHBondContact O-NH1 3.22Å; A446-R470 VanDerWaalsContact O-NH1 3.15Å; A446-W472 HydrophobicContact CB-CH2 4.29Å; A446-W472 HydrophobicContact CB-CZ2 3.89Å
447	G	95.3	Very high	95.8	Very high	29 Å²	29	45.4 Å²	45.4	30%	0.299	24%	0.244	S	C	.	.	S	Bend	trans	80.5	-43.5	179.1	0	0	0	0	0	114.4
448	S	98.1	Very high	95.7	Very high	14 Å²	14	48.3 Å²	48.3	10%	0.098	25%	0.252	C	S	.	.	S	Bend	trans	-144.4	164.8	-174.2	-174.6	0	0	0	0	112.4	R428 A446 C450 H464 D466	R428-S448 WeakPolarHBondContact CA-O 3.32Å; A446-S448 PolarHBondContact O-N 2.93Å; S448-C450 PolarHBondContact O-N 3.24Å; S448-H464 PolarHBondContact O-ND1 2.96Å; S448-H464 VanDerWaalsContact O-ND1 3.14Å; S448-D466 WeakPolarHBondContact CB-OD2 3.49Å; S448-D466 WeakPolarHBondContact OG-CB 3.25Å; S448-D466 PolarHBondContact OG-N 2.92Å; S448-D466 VanDerWaalsContact OG-N 3.12Å
449	S	98.2	Very high	95.8	Very high	8 Å²	8	42.3 Å²	42.3	6%	0.056	23%	0.228	C	C	.	.			trans	-54.3	127.4	178.2	168.8	0	0	0	0	109.6	Y426 H464 F465	Y426-S449 WeakPolarHBondContact CA-OG 3.47Å; Y426-S449 VanDerWaalsContact CD2-OG 3.23Å; Y426-S449 WeakPolarHBondContact CD2-OG 3.22Å; S449-H464 CarbonylContact O-C 3.57Å; S449-H464 VanDerWaalsContact O-CA 3.23Å; S449-H464 WeakPolarHBondContact O-CA 3.43Å; S449-F465 PolarHBondContact O-N 3.48Å
450	C	98.4	Very high	95.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	117	-178.8	-178.9	0	0	0	0	109.9	L410 S425 L430 S448	L410-C450 WeakPolarHBondContact CB-O 3.27Å; L410-C450 WeakPolarHBondContact CD1-O 3.3Å; S425-C450 PolarHBondContact O-N 2.84Å; S425-C450 VanDerWaalsContact O-N 3.07Å; L430-C450 HydrophobicContact CD2-CB 3.97Å; S448-C450 PolarHBondContact O-N 3.24Å
451	N	98.3	Very high	96	Very high	9 Å²	9	37 Å²	37	5%	0.048	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-38.1	-177.6	-66.5	-14.7	0	0	0	112.1	L410 G463 V489	L410-N451 WeakPolarHBondContact CD1-OD1 3.44Å; N451-G463 PolarHBondContact N-O 2.87Å; N451-V489 WeakPolarHBondContact CB-O 3.41Å; N451-V489 PolarHBondContact ND2-O 2.96Å
452	D	98.5	Very high	96.1	Very high	2 Å²	2	33 Å²	33	1%	0.011	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.4	177.8	-152.2	1.4	0	0	0	113.6	S411 R413 S462 G463 S491 L492 R537	S411-D452 WeakPolarHBondContact CB-OD1 3.28Å; S411-D452 PolarHBondContact OG-OD1 2.92Å; R413-D452 IonicContact NH2-OD1 3.19Å; D452-S462 CarbonylContact O-C 3.49Å; D452-S462 WeakPolarHBondContact O-CA 3.37Å; D452-G463 PolarHBondContact N-O 2.89Å; D452-G463 PolarHBondContact O-N 3.45Å; D452-S491 WeakPolarHBondContact OD2-CA 3.3Å; D452-S491 WeakPolarHBondContact OD2-CB 3.38Å; D452-L492 HydrophobicContact CB-CB 4.36Å; D452-L492 HydrophobicContact CB-CG 4.35Å; D452-L492 PolarHBondContact OD2-N 3.31Å; D452-R537 IonicContact OD1-CZ 2.92Å; D452-R537 IonicContact OD1-NH1 3.22Å; D452-R537 PolarHBondContact OD1-NH1 3.32Å; D452-R537 IonicContact OD2-CZ 3.76Å; D452-R537 IonicContact OD2-NH1 2.8Å; D452-R537 PolarHBondContact OD2-NH1 3.03Å
453	I	98.4	Very high	96.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	142.6	179.3	-63.9	155.8	0	0	0	109.3	S411 R413 V422 S423 L430 V460 M461	S411-I453 PolarHBondContact OG-N 3.31Å; R413-I453 HydrophobicContact CG-CB 4.38Å; R413-I453 HydrophobicContact CG-CG2 4.38Å; R413-I453 VanDerWaalsContact CG-O 3.24Å; R413-I453 WeakPolarHBondContact CG-O 3.31Å; R413-I453 PolarHBondContact NE-O 3.46Å; V422-I453 HydrophobicContact CG1-CD1 3.93Å; V422-I453 HydrophobicContact CG1-CG2 4.28Å; S423-I453 VanDerWaalsContact C-CD1 3.46Å; L430-I453 HydrophobicContact CD2-CD1 4.07Å; L430-I453 HydrophobicContact CD2-CG1 4.37Å; I453-V460 HydrophobicContact CG2-CG1 3.73Å; I453-M461 CarbonylContact C-O 3.58Å; I453-M461 VanDerWaalsContact CA-O 3.26Å; I453-M461 WeakPolarHBondContact CA-O 3.43Å
454	V	98	Very high	96.4	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	153.7	164.8	-66.3	0	0	0	0	110.5	M461 L492 L494 L501	V454-M461 HydrophobicContact CG2-CB 3.84Å; V454-M461 HydrophobicContact CG2-CE 4.15Å; V454-M461 PolarHBondContact N-O 3.46Å; V454-M461 PolarHBondContact O-N 3.38Å; V454-L492 HydrophobicContact CG1-CB 3.84Å; V454-L492 VanDerWaalsContact CG1-O 3.25Å; V454-L492 WeakPolarHBondContact CG1-O 3.22Å; V454-L492 HydrophobicContact CG2-CB 4.02Å; V454-L492 HydrophobicContact CG2-CD1 4.36Å; V454-L494 HydrophobicContact CB-CD1 3.88Å; V454-L494 HydrophobicContact CB-CG 3.91Å; V454-L494 HydrophobicContact CG1-CG 4.45Å; V454-L494 HydrophobicContact CG2-CD1 4.06Å; V454-L494 HydrophobicContact CG2-CD2 4.17Å; V454-L494 HydrophobicContact CG2-CG 3.85Å; V454-L501 HydrophobicContact CG2-CD1 3.58Å
455	C	95.8	Very high	96.5	Very high	5 Å²	5	29 Å²	29	3%	0.034	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.5	-173.4	-58.1	0	0	0	0	111.1	L416 L494 R498	L416-C455 HydrophobicContact CD1-CB 4.5Å; C455-L494 VanDerWaalsContact O-CD1 3.3Å; C455-L494 WeakPolarHBondContact O-CD1 3.13Å; C455-R498 PolarHBondContact O-NH1 3.38Å
456	T	94.5	Very high	96.6	Very high	20 Å²	20	25.3 Å²	25.3	12%	0.123	13%	0.134	C	C	.	.			trans	-108.7	-177.9	160.8	71.2	0	0	0	0	109.2	Q458 C459 M461 I474 L494 R498 L515	T456-Q458 PolarHBondContact O-N 3.16Å; T456-Q458 PolarHBondContact OG1-N 3.37Å; T456-C459 PolarHBondContact N-O 2.88Å; T456-C459 PolarHBondContact OG1-N 3.35Å; T456-C459 PolarHBondContact OG1-O 3.29Å; T456-M461 HydrophobicContact CG2-CE 3.56Å; T456-I474 WeakPolarHBondContact O-CD1 3.18Å; T456-L494 HydrophobicContact CG2-CD1 3.82Å; T456-R498 HydrophobicContact CG2-CB 4.16Å; T456-L515 HydrophobicContact CG2-CD1 4.4Å
457	E	89.3	Confident	96.7	Very high	151 Å²	151	29.1 Å²	29.1	71%	0.706	15%	0.151	S	C	*	.	S	Bend	trans	-63.4	-27	175.3	-61.5	-173.1	169.5	0	0	113.2	L416	L416-E457 HydrophobicContact CB-CG 4.46Å; L416-E457 HydrophobicContact CD2-CG 3.43Å; L416-E457 VanDerWaalsContact CD2-CG 3.43Å; L416-E457 HydrophobicContact CG-CG 4.49Å
458	Q	89.3	Confident	96.8	Very high	121 Å²	121	30.2 Å²	30.2	57%	0.565	15%	0.147	S	C	*	.	S	Bend	trans	-114.9	-26.9	-169.7	-62.2	-178.3	-12.1	0	0	112.7	T456 I474	T456-Q458 PolarHBondContact O-N 3.16Å; T456-Q458 PolarHBondContact OG1-N 3.37Å; Q458-I474 PolarHBondContact O-N 2.93Å
459	C	93.9	Very high	96.8	Very high	21 Å²	21	29.5 Å²	29.5	14%	0.142	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.8	-170.5	-166.4	0	0	0	0	111.6	T456 W472	T456-C459 PolarHBondContact N-O 2.88Å; T456-C459 PolarHBondContact OG1-N 3.35Å; T456-C459 PolarHBondContact OG1-O 3.29Å; C459-W472 CarbonylContact C-O 3.58Å; C459-W472 VanDerWaalsContact CA-O 3.26Å; C459-W472 WeakPolarHBondContact CA-O 3.39Å; C459-W472 PolarHBondContact SG-O 2.88Å; C459-W472 VanDerWaalsContact SG-O 3.35Å
460	V	96.8	Very high	96.8	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.055	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.8	160.4	173.6	0	0	0	0	107.4	V422 I453 W472 I474	V422-V460 HydrophobicContact CG1-CG1 4.11Å; V422-V460 HydrophobicContact CG2-CG1 4.39Å; V422-V460 HydrophobicContact CG2-CG2 3.79Å; I453-V460 HydrophobicContact CG2-CG1 3.73Å; V460-W472 HydrophobicContact CB-CB 4.19Å; V460-W472 PolarHBondContact N-O 2.83Å; V460-W472 VanDerWaalsContact O-CD1 3.31Å; V460-W472 PolarHBondContact O-N 3.46Å; V460-I474 HydrophobicContact CG2-CD1 4.09Å; V460-I474 HydrophobicContact CG2-CG1 3.89Å
461	M	98.1	Very high	96.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.5	175	-71.9	164.7	-87.1	0	0	109.1	I453 V454 T456 R470 F471 L492 L494 L501 L515	I453-M461 CarbonylContact C-O 3.58Å; I453-M461 VanDerWaalsContact CA-O 3.26Å; I453-M461 WeakPolarHBondContact CA-O 3.43Å; V454-M461 HydrophobicContact CG2-CB 3.84Å; V454-M461 HydrophobicContact CG2-CE 4.15Å; V454-M461 PolarHBondContact N-O 3.46Å; V454-M461 PolarHBondContact O-N 3.38Å; T456-M461 HydrophobicContact CG2-CE 3.56Å; M461-R470 CarbonylContact C-O 3.58Å; M461-R470 VanDerWaalsContact CA-O 3.28Å; M461-R470 WeakPolarHBondContact CA-O 3.44Å; M461-F471 HydrophobicContact CG-CD1 3.41Å; M461-F471 VanDerWaalsContact CG-CD1 3.41Å; M461-F471 HydrophobicContact CG-CE1 3.61Å; M461-F471 HydrophobicContact CG-CG 4.13Å; M461-F471 HydrophobicContact CG-CZ 4.47Å; M461-F471 HydrophobicContact SD-CD1 3.75Å; M461-F471 HydrophobicContact SD-CE1 3.43Å; M461-F471 WeakPolarHBondContact SD-CE1 3.5Å; M461-F471 HydrophobicContact SD-CZ 4.38Å; M461-L492 HydrophobicContact CB-CD1 4.44Å; M461-L494 HydrophobicContact CE-CD1 4.27Å; M461-L494 HydrophobicContact CE-CD2 3.79Å; M461-L501 HydrophobicContact SD-CB 4.45Å; M461-L501 HydrophobicContact SD-CD1 4.03Å; M461-L501 HydrophobicContact SD-CD2 3.85Å; M461-L501 HydrophobicContact SD-CG 4.34Å; M461-L515 HydrophobicContact CE-CD1 3.89Å; M461-L515 HydrophobicContact CE-CD2 4.37Å; M461-L515 HydrophobicContact SD-CD1 4.19Å; M461-L515 HydrophobicContact SD-CD2 3.59Å; M461-L515 VanDerWaalsContact SD-CD2 3.59Å
462	S	98.4	Very high	96.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.3	-179.1	59.8	0	0	0	0	111.8	D452 H464 V469 R470 W472	D452-S462 CarbonylContact O-C 3.49Å; D452-S462 WeakPolarHBondContact O-CA 3.37Å; S462-H464 WeakPolarHBondContact CB-NE2 3.15Å; S462-H464 PolarHBondContact O-CD2 2.87Å; S462-H464 PolarHBondContact O-NE2 2.96Å; S462-H464 PolarHBondContact OG-CE1 2.95Å; S462-H464 PolarHBondContact OG-NE2 3.38Å; S462-V469 CarbonylContact O-C 3.58Å; S462-V469 VanDerWaalsContact O-CA 3.31Å; S462-V469 WeakPolarHBondContact O-CA 3.43Å; S462-R470 PolarHBondContact N-O 3.03Å; S462-R470 PolarHBondContact O-N 3.24Å; S462-W472 PolarHBondContact OG-NE1 3.34Å
463	G	98.4	Very high	96.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.9	179.2	0	0	0	0	0	110.7	N451 D452 L492	N451-G463 PolarHBondContact N-O 2.87Å; D452-G463 PolarHBondContact N-O 2.89Å; D452-G463 PolarHBondContact O-N 3.45Å; G463-L492 VanDerWaalsContact N-CD1 3.32Å
464	H	98.6	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	161.4	-166.9	-62	-85.5	0	0	0	115.3	S448 S449 S462 D466 K467 K468 R470 V489	S448-H464 PolarHBondContact O-ND1 2.96Å; S448-H464 VanDerWaalsContact O-ND1 3.14Å; S449-H464 CarbonylContact O-C 3.57Å; S449-H464 VanDerWaalsContact O-CA 3.23Å; S449-H464 WeakPolarHBondContact O-CA 3.43Å; S462-H464 WeakPolarHBondContact CB-NE2 3.15Å; S462-H464 PolarHBondContact O-CD2 2.87Å; S462-H464 PolarHBondContact O-NE2 2.96Å; S462-H464 PolarHBondContact OG-CE1 2.95Å; S462-H464 PolarHBondContact OG-NE2 3.38Å; H464-D466 WeakPolarHBondContact CB-OD1 3.31Å; H464-D466 IonicContact CG-OD1 3.74Å; H464-D466 PolarHBondContact O-N 3.25Å; H464-K467 PolarHBondContact O-N 3.38Å; H464-K468 WeakPolarHBondContact CB-O 3.46Å; H464-K468 PolarHBondContact CD2-O 2.93Å; H464-K468 PolarHBondContact N-O 3.4Å; H464-R470 PolarHBondContact CD2-NH1 3.19Å; H464-V489 PolarHBondContact O-N 3.17Å; H464-V489 VanDerWaalsContact O-N 3.1Å
465	F	97.9	Very high	95.4	Very high	86 Å²	86	44.1 Å²	44.1	38%	0.377	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.7	173.8	-169.4	-81.3	0	0	0	113	S449 K467 R488	S449-F465 PolarHBondContact O-N 3.48Å; F465-K467 PolarHBondContact O-N 3.18Å; F465-K467 VanDerWaalsContact O-N 3.16Å; F465-R488 VanDerWaalsContact O-CG 3.31Å; F465-R488 WeakPolarHBondContact O-CG 3.3Å
466	D	97.8	Very high	94.9	Very high	50 Å²	50	46.8 Å²	46.8	27%	0.267	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	19	176.4	67.8	-13.8	0	0	0	113.1	S448 H464 K468 R470	S448-D466 WeakPolarHBondContact CB-OD2 3.49Å; S448-D466 WeakPolarHBondContact OG-CB 3.25Å; S448-D466 PolarHBondContact OG-N 2.92Å; S448-D466 VanDerWaalsContact OG-N 3.12Å; H464-D466 WeakPolarHBondContact CB-OD1 3.31Å; H464-D466 IonicContact CG-OD1 3.74Å; H464-D466 PolarHBondContact O-N 3.25Å; D466-K468 PolarHBondContact O-N 3.01Å; D466-K468 WeakPolarHBondContact OD1-CB 3.43Å; D466-K468 PolarHBondContact OD1-N 3.41Å; D466-R470 IonicContact OD1-NH1 3.56Å; D466-R470 PolarHBondContact OD1-NH1 2.88Å; D466-R470 IonicContact OD2-CZ 2.8Å; D466-R470 IonicContact OD2-NH1 3.91Å; D466-R470 PolarHBondContact OD2-NH1 3.48Å; D466-R470 VanDerWaalsContact OD2-NH1 3.15Å; D466-R470 IonicContact OD2-NH2 2.81Å; D466-R470 PolarHBondContact OD2-NH2 3.43Å
467	K	97.8	Very high	94.4	Very high	83 Å²	83	50.3 Å²	50.3	36%	0.361	24%	0.238	S	C	.	.	S	Bend	trans	69.7	4.6	178.9	-41.6	177.9	175.6	-168.1	0	114.5	H464 F465 L485 L486 G487	H464-K467 PolarHBondContact O-N 3.38Å; F465-K467 PolarHBondContact O-N 3.18Å; F465-K467 VanDerWaalsContact O-N 3.16Å; K467-L485 WeakPolarHBondContact CB-O 3.43Å; K467-L485 WeakPolarHBondContact O-CB 3.49Å; K467-L485 PolarHBondContact O-N 3.01Å; K467-L486 WeakPolarHBondContact CD-O 3.17Å; K467-L486 WeakPolarHBondContact CE-O 3.3Å; K467-L486 PolarHBondContact NZ-O 3.49Å; K467-G487 WeakPolarHBondContact CA-O 3.43Å; K467-G487 WeakPolarHBondContact CB-O 3.36Å; K467-G487 WeakPolarHBondContact CG-O 2.95Å
468	K	98.1	Very high	94.4	Very high	51 Å²	51	45.7 Å²	45.7	22%	0.222	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	146.2	-178.5	-66.6	178.4	169.2	-165.9	0	112.1	H464 D466 E482 M483 E484	H464-K468 WeakPolarHBondContact CB-O 3.46Å; H464-K468 PolarHBondContact CD2-O 2.93Å; H464-K468 PolarHBondContact N-O 3.4Å; D466-K468 PolarHBondContact O-N 3.01Å; D466-K468 WeakPolarHBondContact OD1-CB 3.43Å; D466-K468 PolarHBondContact OD1-N 3.41Å; K468-E482 WeakPolarHBondContact CD-OE2 3.43Å; K468-E482 IonicContact NZ-OE2 3.88Å; K468-E482 PolarHBondContact NZ-OE2 3.05Å; K468-M483 CarbonylContact C-O 3.58Å; K468-M483 VanDerWaalsContact CA-O 3.23Å; K468-M483 WeakPolarHBondContact CA-O 3.3Å; K468-E484 HydrophobicContact CG-CB 4.29Å; K468-E484 HydrophobicContact CG-CG 4.3Å
469	V	98.1	Very high	94.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125	160.8	-177.8	0	0	0	0	107.5	S462 F471 E482 M483 L485 V489 L492 L501 T503	S462-V469 CarbonylContact O-C 3.58Å; S462-V469 VanDerWaalsContact O-CA 3.31Å; S462-V469 WeakPolarHBondContact O-CA 3.43Å; V469-F471 HydrophobicContact CB-CE2 4.34Å; V469-F471 HydrophobicContact CG1-CE2 3.86Å; V469-F471 HydrophobicContact CG1-CZ 4.08Å; V469-E482 CarbonylContact O-C 3.57Å; V469-E482 WeakPolarHBondContact O-CA 3.32Å; V469-M483 PolarHBondContact N-O 3.36Å; V469-M483 PolarHBondContact O-N 2.98Å; V469-L485 HydrophobicContact CG2-CD1 3.82Å; V469-V489 HydrophobicContact CG2-CG1 4.31Å; V469-V489 HydrophobicContact CG2-CG2 4.05Å; V469-L492 HydrophobicContact CG1-CD1 4.4Å; V469-L492 HydrophobicContact CG1-CD2 4.45Å; V469-L492 HydrophobicContact CG2-CD2 4.16Å; V469-L501 HydrophobicContact CG1-CD2 4.03Å; V469-T503 HydrophobicContact CG2-CG2 4.29Å
470	R	97.9	Very high	94.6	Very high	12 Å²	12	46.2 Å²	46.2	5%	0.045	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.3	-179.1	-63.9	-173.6	167.5	80.7	2.6	110.2	A446 M461 S462 H464 D466 W472 I479 E482	A446-R470 WeakPolarHBondContact O-CD 3.29Å; A446-R470 PolarHBondContact O-NE 3.43Å; A446-R470 PolarHBondContact O-NH1 3.22Å; A446-R470 VanDerWaalsContact O-NH1 3.15Å; M461-R470 CarbonylContact C-O 3.58Å; M461-R470 VanDerWaalsContact CA-O 3.28Å; M461-R470 WeakPolarHBondContact CA-O 3.44Å; S462-R470 PolarHBondContact N-O 3.03Å; S462-R470 PolarHBondContact O-N 3.24Å; H464-R470 PolarHBondContact CD2-NH1 3.19Å; D466-R470 IonicContact OD1-NH1 3.56Å; D466-R470 PolarHBondContact OD1-NH1 2.88Å; D466-R470 IonicContact OD2-CZ 2.8Å; D466-R470 IonicContact OD2-NH1 3.91Å; D466-R470 PolarHBondContact OD2-NH1 3.48Å; D466-R470 VanDerWaalsContact OD2-NH1 3.15Å; D466-R470 IonicContact OD2-NH2 2.81Å; D466-R470 PolarHBondContact OD2-NH2 3.43Å; R470-W472 HydrophobicContact CB-CZ2 4.05Å; R470-I479 HydrophobicContact CB-CD1 3.91Å; R470-I479 HydrophobicContact CB-CG1 4.48Å; R470-I479 HydrophobicContact CG-CD1 3.83Å; R470-E482 HydrophobicContact CG-CG 4.15Å; R470-E482 IonicContact CZ-OE1 3.67Å; R470-E482 IonicContact NE-OE1 3.56Å; R470-E482 PolarHBondContact NE-OE1 3.16Å; R470-E482 IonicContact NH2-OE1 3.93Å; R470-E482 PolarHBondContact NH2-OE1 3.18Å
471	F	97.2	Very high	94.4	Very high	5 Å²	5	50.1 Å²	50.1	2%	0.022	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.6	-179.7	-61.8	-104.8	0	0	0	108.1	M461 V469 I479 V480 R481 M483 L501 L515	M461-F471 HydrophobicContact CG-CD1 3.41Å; M461-F471 VanDerWaalsContact CG-CD1 3.41Å; M461-F471 HydrophobicContact CG-CE1 3.61Å; M461-F471 HydrophobicContact CG-CG 4.13Å; M461-F471 HydrophobicContact CG-CZ 4.47Å; M461-F471 HydrophobicContact SD-CD1 3.75Å; M461-F471 HydrophobicContact SD-CE1 3.43Å; M461-F471 WeakPolarHBondContact SD-CE1 3.5Å; M461-F471 HydrophobicContact SD-CZ 4.38Å; V469-F471 HydrophobicContact CB-CE2 4.34Å; V469-F471 HydrophobicContact CG1-CE2 3.86Å; V469-F471 HydrophobicContact CG1-CZ 4.08Å; F471-I479 WeakPolarHBondContact O-CA 3.2Å; F471-V480 HydrophobicContact CB-CG2 3.9Å; F471-V480 WeakPolarHBondContact O-CG2 3.41Å; F471-V480 PolarHBondContact O-N 2.93Å; F471-R481 HydrophobicContact CB-CB 3.95Å; F471-R481 HydrophobicContact CD2-CB 3.87Å; F471-R481 HydrophobicContact CD2-CG 4.13Å; F471-R481 HydrophobicContact CG-CB 4.11Å; F471-R481 PolarHBondContact N-O 3.38Å; F471-R481 PolarHBondContact O-N 3.39Å; F471-M483 HydrophobicContact CE2-CB 4.27Å; F471-M483 HydrophobicContact CE2-CG 3.78Å; F471-M483 HydrophobicContact CE2-SD 3.66Å; F471-M483 HydrophobicContact CZ-CG 4.45Å; F471-M483 HydrophobicContact CZ-SD 3.72Å; F471-L501 HydrophobicContact CE1-CD2 4.36Å; F471-L501 HydrophobicContact CZ-CD2 4.11Å; F471-L515 HydrophobicContact CE1-CD2 3.69Å; F471-L515 HydrophobicContact CZ-CD2 4.5Å
472	W	96.3	Very high	94.3	Very high	25 Å²	25	54.1 Å²	54.1	10%	0.095	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.2	-176.1	-50	84.7	0	0	0	108.8	L430 V444 A446 C459 V460 S462 R470 I474 S478 I479	L430-W472 HydrophobicContact CD1-CD2 4.14Å; L430-W472 HydrophobicContact CD1-CG 4.31Å; L430-W472 HydrophobicContact CD1-CZ2 3.99Å; V444-W472 HydrophobicContact CG1-CE3 4.06Å; V444-W472 HydrophobicContact CG1-CH2 3.83Å; V444-W472 HydrophobicContact CG1-CZ3 3.35Å; A446-W472 HydrophobicContact CB-CH2 4.29Å; A446-W472 HydrophobicContact CB-CZ2 3.89Å; C459-W472 CarbonylContact C-O 3.58Å; C459-W472 VanDerWaalsContact CA-O 3.26Å; C459-W472 WeakPolarHBondContact CA-O 3.39Å; C459-W472 PolarHBondContact SG-O 2.88Å; C459-W472 VanDerWaalsContact SG-O 3.35Å; V460-W472 HydrophobicContact CB-CB 4.19Å; V460-W472 PolarHBondContact N-O 2.83Å; V460-W472 VanDerWaalsContact O-CD1 3.31Å; V460-W472 PolarHBondContact O-N 3.46Å; S462-W472 PolarHBondContact OG-NE1 3.34Å; R470-W472 HydrophobicContact CB-CZ2 4.05Å; W472-I474 PolarHBondContact O-N 2.83Å; W472-S478 WeakPolarHBondContact CA-O 3.45Å; W472-I479 HydrophobicContact CE3-CB 4.01Å; W472-I479 HydrophobicContact CH2-CB 4.45Å; W472-I479 HydrophobicContact CH2-CD1 4.43Å; W472-I479 HydrophobicContact CZ2-CD1 4.48Å; W472-I479 HydrophobicContact CZ3-CB 3.94Å
473	D	93.1	Very high	94.1	Very high	47 Å²	47	55.8 Å²	55.8	25%	0.251	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	128.3	174.2	-177.2	-67.5	0	0	0	109.4	R475 A476 E477 S478 V480	D473-R475 VanDerWaalsContact C-N 3.31Å; D473-R475 PolarHBondContact O-N 2.95Å; D473-R475 WeakPolarHBondContact OD1-CA 3.26Å; D473-R475 WeakPolarHBondContact OD1-CB 3.27Å; D473-R475 PolarHBondContact OD1-N 3.41Å; D473-A476 HydrophobicContact CB-CB 4.05Å; D473-A476 PolarHBondContact OD1-N 3.46Å; D473-E477 WeakPolarHBondContact O-CA 3.45Å; D473-E477 PolarHBondContact O-N 3.46Å; D473-S478 PolarHBondContact N-O 3.32Å; D473-V480 HydrophobicContact CB-CG1 3.53Å; D473-V480 HydrophobicContact CB-CG2 4.45Å
474	I	88.3	Confident	94	Very high	25 Å²	25	62.5 Å²	62.5	13%	0.128	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-30	-174.7	-65.6	171.5	0	0	0	111.4	L415 T456 Q458 V460 W472	L415-I474 HydrophobicContact CD2-CD1 4.18Å; L415-I474 HydrophobicContact CD2-CG2 4.29Å; T456-I474 WeakPolarHBondContact O-CD1 3.18Å; Q458-I474 PolarHBondContact O-N 2.93Å; V460-I474 HydrophobicContact CG2-CD1 4.09Å; V460-I474 HydrophobicContact CG2-CG1 3.89Å; W472-I474 PolarHBondContact O-N 2.83Å
475	R	86.9	Confident	93.9	Very high	215 Å²	215	62.9 Å²	62.9	81%	0.811	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-43	-178.4	-62.5	-178.1	178.4	-174.4	0.2	111.6	D473 E477	D473-R475 VanDerWaalsContact C-N 3.31Å; D473-R475 PolarHBondContact O-N 2.95Å; D473-R475 WeakPolarHBondContact OD1-CA 3.26Å; D473-R475 WeakPolarHBondContact OD1-CB 3.27Å; D473-R475 PolarHBondContact OD1-N 3.41Å; R475-E477 VanDerWaalsContact C-N 3.26Å
476	A	85.9	Confident	93.8	Very high	61 Å²	61	65 Å²	65	50%	0.504	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.8	177	0	0	0	0	0	112.3	D473 S478	D473-A476 HydrophobicContact CB-CB 4.05Å; D473-A476 PolarHBondContact OD1-N 3.46Å; A476-S478 PolarHBondContact O-N 3.03Å; A476-S478 VanDerWaalsContact O-N 3.09Å
477	E	84.4	Confident	93.7	Very high	93 Å²	93	62.9 Å²	62.9	44%	0.435	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	36	-179	-50.7	-173.6	151.9	0	0	113.8	K442 D473 R475	K442-E477 HydrophobicContact CD-CB 4.33Å; K442-E477 WeakPolarHBondContact CD-OE2 3.32Å; K442-E477 WeakPolarHBondContact CE-OE2 3.49Å; K442-E477 PolarHBondContact NZ-O 3.35Å; K442-E477 VanDerWaalsContact NZ-O 3.09Å; K442-E477 IonicContact NZ-OE2 2.74Å; K442-E477 PolarHBondContact NZ-OE2 3.46Å; D473-E477 WeakPolarHBondContact O-CA 3.45Å; D473-E477 PolarHBondContact O-N 3.46Å; R475-E477 VanDerWaalsContact C-N 3.26Å
478	S	89.3	Confident	93.7	Very high	55 Å²	55	62.2 Å²	62.2	39%	0.385	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	162.7	-176.3	64.7	0	0	0	0	110.4	W472 D473 A476 V480	W472-S478 WeakPolarHBondContact CA-O 3.45Å; D473-S478 PolarHBondContact N-O 3.32Å; A476-S478 PolarHBondContact O-N 3.03Å; A476-S478 VanDerWaalsContact O-N 3.09Å; S478-V480 PolarHBondContact O-N 2.98Å
479	I	92.9	Very high	93.7	Very high	69 Å²	69	59.8 Å²	59.8	35%	0.354	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	123.5	176.4	-164.7	168.9	0	0	0	109.5	R470 F471 W472 E482	R470-I479 HydrophobicContact CB-CD1 3.91Å; R470-I479 HydrophobicContact CB-CG1 4.48Å; R470-I479 HydrophobicContact CG-CD1 3.83Å; F471-I479 WeakPolarHBondContact O-CA 3.2Å; W472-I479 HydrophobicContact CE3-CB 4.01Å; W472-I479 HydrophobicContact CH2-CB 4.45Å; W472-I479 HydrophobicContact CH2-CD1 4.43Å; W472-I479 HydrophobicContact CZ2-CD1 4.48Å; W472-I479 HydrophobicContact CZ3-CB 3.94Å; I479-E482 HydrophobicContact CD1-CG 3.46Å; I479-E482 VanDerWaalsContact CD1-CG 3.46Å; I479-E482 VanDerWaalsContact CD1-OE1 3.25Å; I479-E482 WeakPolarHBondContact CD1-OE1 3.38Å; I479-E482 HydrophobicContact CG1-CG 4.31Å
480	V	93.8	Very high	93.7	Very high	84 Å²	84	59.8 Å²	59.8	51%	0.509	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-24.7	177.4	-66.4	0	0	0	0	112.2	F471 D473 S478	F471-V480 HydrophobicContact CB-CG2 3.9Å; F471-V480 WeakPolarHBondContact O-CG2 3.41Å; F471-V480 PolarHBondContact O-N 2.93Å; D473-V480 HydrophobicContact CB-CG1 3.53Å; D473-V480 HydrophobicContact CB-CG2 4.45Å; S478-V480 PolarHBondContact O-N 2.98Å
481	R	92.8	Very high	93.7	Very high	91 Å²	91	59.2 Å²	59.2	34%	0.343	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	151.2	179.4	-171.4	179.8	-59.4	127.7	-4.9	112.5	F471 M483 N518	F471-R481 HydrophobicContact CB-CB 3.95Å; F471-R481 HydrophobicContact CD2-CB 3.87Å; F471-R481 HydrophobicContact CD2-CG 4.13Å; F471-R481 HydrophobicContact CG-CB 4.11Å; F471-R481 PolarHBondContact N-O 3.38Å; F471-R481 PolarHBondContact O-N 3.39Å; R481-M483 HydrophobicContact CG-CG 4.36Å; R481-N518 VanDerWaalsContact CZ-ND2 3.25Å; R481-N518 PolarHBondContact NH1-ND2 3.41Å; R481-N518 PolarHBondContact NH1-OD1 3.4Å; R481-N518 PolarHBondContact NH2-ND2 2.91Å
482	E	95.7	Very high	93.8	Very high	85 Å²	85	59.1 Å²	59.1	40%	0.397	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.9	161.9	-57.1	-163.6	152.6	0	0	109.8	K468 V469 R470 I479	K468-E482 WeakPolarHBondContact CD-OE2 3.43Å; K468-E482 IonicContact NZ-OE2 3.88Å; K468-E482 PolarHBondContact NZ-OE2 3.05Å; V469-E482 CarbonylContact O-C 3.57Å; V469-E482 WeakPolarHBondContact O-CA 3.32Å; R470-E482 HydrophobicContact CG-CG 4.15Å; R470-E482 IonicContact CZ-OE1 3.67Å; R470-E482 IonicContact NE-OE1 3.56Å; R470-E482 PolarHBondContact NE-OE1 3.16Å; R470-E482 IonicContact NH2-OE1 3.93Å; R470-E482 PolarHBondContact NH2-OE1 3.18Å; I479-E482 HydrophobicContact CD1-CG 3.46Å; I479-E482 VanDerWaalsContact CD1-CG 3.46Å; I479-E482 VanDerWaalsContact CD1-OE1 3.25Å; I479-E482 WeakPolarHBondContact CD1-OE1 3.38Å; I479-E482 HydrophobicContact CG1-CG 4.31Å
483	M	95.4	Very high	93.9	Very high	35 Å²	35	58.8 Å²	58.8	17%	0.172	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.1	170.1	-67.2	-178.8	70.3	0	0	108.8	K468 V469 F471 R481 I513	K468-M483 CarbonylContact C-O 3.58Å; K468-M483 VanDerWaalsContact CA-O 3.23Å; K468-M483 WeakPolarHBondContact CA-O 3.3Å; V469-M483 PolarHBondContact N-O 3.36Å; V469-M483 PolarHBondContact O-N 2.98Å; F471-M483 HydrophobicContact CE2-CB 4.27Å; F471-M483 HydrophobicContact CE2-CG 3.78Å; F471-M483 HydrophobicContact CE2-SD 3.66Å; F471-M483 HydrophobicContact CZ-CG 4.45Å; F471-M483 HydrophobicContact CZ-SD 3.72Å; R481-M483 HydrophobicContact CG-CG 4.36Å; M483-I513 HydrophobicContact CE-CD1 3.89Å; M483-I513 HydrophobicContact CE-CG1 4.36Å; M483-I513 HydrophobicContact CE-CG2 3.89Å; M483-I513 HydrophobicContact SD-CD1 4.25Å; M483-I513 HydrophobicContact SD-CG2 4.06Å
484	E	96.2	Very high	94.1	Very high	140 Å²	140	57.4 Å²	57.4	65%	0.654	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.7	-179.5	-170.7	170.6	166.6	0	0	111	K468	K468-E484 HydrophobicContact CG-CB 4.29Å; K468-E484 HydrophobicContact CG-CG 4.3Å
485	L	95.8	Very high	94.4	Very high	9 Å²	9	56.8 Å²	56.8	5%	0.047	28%	0.281	C	S	.	.			trans	-101.4	168.9	175	-64.4	167.2	0	0	0	109.9	K467 V469 V489 K511	K467-L485 WeakPolarHBondContact CB-O 3.43Å; K467-L485 WeakPolarHBondContact O-CB 3.49Å; K467-L485 PolarHBondContact O-N 3.01Å; V469-L485 HydrophobicContact CG2-CD1 3.82Å; L485-V489 HydrophobicContact CD1-CG2 3.77Å; L485-K511 HydrophobicContact CD2-CD 3.75Å
486	L	95.5	Very high	94.5	Very high	129 Å²	129	53.5 Å²	53.5	68%	0.675	27%	0.274	S	S	*	.	S	Bend	trans	-80.6	-26.7	-177.4	-58.1	172	0	0	0	112.2	K467 D507	K467-L486 WeakPolarHBondContact CD-O 3.17Å; K467-L486 WeakPolarHBondContact CE-O 3.3Å; K467-L486 PolarHBondContact NZ-O 3.49Å; L486-D507 HydrophobicContact CB-CB 4.39Å; L486-D507 WeakPolarHBondContact CB-OD2 3.42Å
487	G	96.3	Very high	94.8	Very high	7 Å²	7	55.5 Å²	55.5	7%	0.072	28%	0.276	C	S	.	.	S	Bend	trans	-117.2	167.3	176.7	0	0	0	0	0	113.5	K467	K467-G487 WeakPolarHBondContact CA-O 3.43Å; K467-G487 WeakPolarHBondContact CB-O 3.36Å; K467-G487 WeakPolarHBondContact CG-O 2.95Å
488	R	97.9	Very high	95.3	Very high	68 Å²	68	56.3 Å²	56.3	26%	0.257	28%	0.275	S	S	.	.			trans	-62.4	135.5	174.7	-55.8	179.9	-83.4	159.8	3.8	109	F465 T490 S505 R506 D534	F465-R488 VanDerWaalsContact O-CG 3.31Å; F465-R488 WeakPolarHBondContact O-CG 3.3Å; R488-T490 PolarHBondContact O-N 3.46Å; R488-S505 CarbonylContact O-C 3.54Å; R488-S505 WeakPolarHBondContact O-CA 3.48Å; R488-S505 WeakPolarHBondContact O-CB 3.36Å; R488-R506 HydrophobicContact CB-CB 4.22Å; R488-R506 HydrophobicContact CB-CG 3.96Å; R488-R506 PolarHBondContact O-N 3.06Å; R488-D534 IonicContact CZ-OD1 3.3Å; R488-D534 IonicContact CZ-OD2 3.62Å; R488-D534 IonicContact NE-OD1 2.87Å; R488-D534 VanDerWaalsContact NH1-CG 3.3Å; R488-D534 IonicContact NH1-OD1 3.54Å; R488-D534 PolarHBondContact NH1-OD1 2.93Å; R488-D534 VanDerWaalsContact NH1-OD1 3.14Å; R488-D534 IonicContact NH1-OD2 2.73Å; R488-D534 PolarHBondContact NH1-OD2 3.18Å; R488-D534 IonicContact NH2-OD1 2.7Å; R488-D534 PolarHBondContact NH2-OD1 3.38Å; R488-D534 IonicContact NH2-OD2 3.52Å
489	V	98.4	Very high	95.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	125	-176.8	-168.4	0	0	0	0	109.2	N451 H464 V469 L485 L492	N451-V489 WeakPolarHBondContact CB-O 3.41Å; N451-V489 PolarHBondContact ND2-O 2.96Å; H464-V489 PolarHBondContact O-N 3.17Å; H464-V489 VanDerWaalsContact O-N 3.1Å; V469-V489 HydrophobicContact CG2-CG1 4.31Å; V469-V489 HydrophobicContact CG2-CG2 4.05Å; L485-V489 HydrophobicContact CD1-CG2 3.77Å; V489-L492 HydrophobicContact CG1-CD2 3.93Å; V489-L492 HydrophobicContact CG1-CG 4.4Å
490	T	98.1	Very high	95.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-41.4	-178	56.9	0	0	0	0	112.1	R488 C504 R506 D534 T536	R488-T490 PolarHBondContact O-N 3.46Å; T490-C504 PolarHBondContact N-O 3.42Å; T490-C504 VanDerWaalsContact OG1-CB 3.32Å; T490-C504 WeakPolarHBondContact OG1-CB 3.45Å; T490-C504 PolarHBondContact OG1-O 2.96Å; T490-C504 VanDerWaalsContact OG1-O 3.09Å; T490-C504 PolarHBondContact OG1-SG 3.24Å; T490-R506 VanDerWaalsContact CG2-CD 3.46Å; T490-R506 HydrophobicContact CG2-CG 3.66Å; T490-D534 WeakPolarHBondContact CA-O 3.39Å; T490-T536 PolarHBondContact OG1-O 3.29Å
491	S	97.8	Very high	95.9	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	158.6	-179.5	53.3	0	0	0	0	113.3	D452 C504 T536 R537 V538	D452-S491 WeakPolarHBondContact OD2-CA 3.3Å; D452-S491 WeakPolarHBondContact OD2-CB 3.38Å; S491-C504 PolarHBondContact O-N 2.88Å; S491-C504 WeakPolarHBondContact OG-CB 3.44Å; S491-T536 VanDerWaalsContact CB-O 3.27Å; S491-T536 WeakPolarHBondContact CB-O 3.46Å; S491-T536 PolarHBondContact OG-O 3.43Å; S491-R537 WeakPolarHBondContact OG-CA 3.29Å; S491-V538 PolarHBondContact OG-N 2.85Å
492	L	98.5	Very high	96.2	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.9	176.1	-62.4	-179.5	0	0	0	109.1	D452 V454 M461 G463 V469 V489 L501 L502 T503	D452-L492 HydrophobicContact CB-CB 4.36Å; D452-L492 HydrophobicContact CB-CG 4.35Å; D452-L492 PolarHBondContact OD2-N 3.31Å; V454-L492 HydrophobicContact CG1-CB 3.84Å; V454-L492 VanDerWaalsContact CG1-O 3.25Å; V454-L492 WeakPolarHBondContact CG1-O 3.22Å; V454-L492 HydrophobicContact CG2-CB 4.02Å; V454-L492 HydrophobicContact CG2-CD1 4.36Å; M461-L492 HydrophobicContact CB-CD1 4.44Å; G463-L492 VanDerWaalsContact N-CD1 3.32Å; V469-L492 HydrophobicContact CG1-CD1 4.4Å; V469-L492 HydrophobicContact CG1-CD2 4.45Å; V469-L492 HydrophobicContact CG2-CD2 4.16Å; V489-L492 HydrophobicContact CG1-CD2 3.93Å; V489-L492 HydrophobicContact CG1-CG 4.4Å; L492-L501 HydrophobicContact CB-CD1 4.23Å; L492-L501 HydrophobicContact CD2-CD1 4.25Å; L492-L501 HydrophobicContact CD2-CD2 4.42Å; L492-L502 WeakPolarHBondContact CA-O 3.35Å; L492-T503 HydrophobicContact CD2-CG2 3.62Å
493	D	98.3	Very high	96.3	Very high	18 Å²	18	40.7 Å²	40.7	10%	0.096	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155.2	170.1	-157.8	25	0	0	0	111	L502 T539 F540	D493-L502 HydrophobicContact CB-CB 4.39Å; D493-L502 HydrophobicContact CB-CD2 4.45Å; D493-L502 PolarHBondContact N-O 3.34Å; D493-L502 PolarHBondContact O-N 3.18Å; D493-T539 WeakPolarHBondContact OD2-CA 3.44Å; D493-T539 WeakPolarHBondContact OD2-CB 3.23Å; D493-T539 PolarHBondContact OD2-OG1 3.5Å; D493-F540 HydrophobicContact CB-CD2 4.37Å; D493-F540 PolarHBondContact OD2-N 3.34Å
494	L	97.4	Very high	96.4	Very high	18 Å²	18	39 Å²	39	9%	0.094	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143.7	177.1	-68.8	170.8	0	0	0	109.6	V454 C455 T456 M461 R498 E500 L501 L515 F540	V454-L494 HydrophobicContact CB-CD1 3.88Å; V454-L494 HydrophobicContact CB-CG 3.91Å; V454-L494 HydrophobicContact CG1-CG 4.45Å; V454-L494 HydrophobicContact CG2-CD1 4.06Å; V454-L494 HydrophobicContact CG2-CD2 4.17Å; V454-L494 HydrophobicContact CG2-CG 3.85Å; C455-L494 VanDerWaalsContact O-CD1 3.3Å; C455-L494 WeakPolarHBondContact O-CD1 3.13Å; T456-L494 HydrophobicContact CG2-CD1 3.82Å; M461-L494 HydrophobicContact CE-CD1 4.27Å; M461-L494 HydrophobicContact CE-CD2 3.79Å; L494-R498 HydrophobicContact CB-CG 4.46Å; L494-R498 HydrophobicContact CD1-CB 4.44Å; L494-R498 HydrophobicContact CD1-CG 4.39Å; L494-E500 WeakPolarHBondContact CD2-O 3.35Å; L494-L501 HydrophobicContact CD2-CB 4.29Å; L494-L501 HydrophobicContact CD2-CD1 3.91Å; L494-L515 HydrophobicContact CD2-CD1 3.97Å; L494-F540 VanDerWaalsContact C-CD2 3.4Å
495	N	95.1	Very high	96.5	Very high	13 Å²	13	32.4 Å²	32.4	7%	0.07	16%	0.159	C	C	.	.			trans	-70.5	171.1	170	68.4	-16.9	0	0	0	110.9	D497 R498 S499 E500 F540	N495-D497 VanDerWaalsContact C-N 3.34Å; N495-D497 PolarHBondContact ND2-OD1 3.47Å; N495-D497 PolarHBondContact O-N 3.19Å; N495-D497 PolarHBondContact OD1-OD1 3.46Å; N495-R498 WeakPolarHBondContact O-CA 3.49Å; N495-R498 PolarHBondContact O-N 2.73Å; N495-R498 VanDerWaalsContact OD1-CA 3.28Å; N495-R498 WeakPolarHBondContact OD1-CA 3.3Å; N495-R498 PolarHBondContact OD1-N 3.12Å; N495-R498 VanDerWaalsContact OD1-N 3.12Å; N495-S499 PolarHBondContact ND2-OG 3.36Å; N495-S499 PolarHBondContact OD1-N 3.21Å; N495-E500 HydrophobicContact CB-CB 4.46Å; N495-E500 PolarHBondContact N-O 2.96Å; N495-E500 WeakPolarHBondContact ND2-CB 3.41Å; N495-E500 WeakPolarHBondContact ND2-CG 3.33Å; N495-E500 PolarHBondContact OD1-N 3.15Å; N495-E500 PolarHBondContact OD1-O 2.93Å; N495-F540 HydrophobicContact CB-CD1 4.21Å; N495-F540 HydrophobicContact CB-CD2 3.99Å; N495-F540 HydrophobicContact CB-CE1 4.17Å; N495-F540 HydrophobicContact CB-CE2 3.89Å; N495-F540 HydrophobicContact CB-CG 4.11Å; N495-F540 HydrophobicContact CB-CZ 3.99Å; N495-F540 VanDerWaalsContact N-CD2 3.33Å
496	H	89.9	Confident	96.6	Very high	145 Å²	145	35.8 Å²	35.8	67%	0.671	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-41.5	-172.4	-179.3	81.7	0	0	0	114.3	R498 P542	H496-R498 VanDerWaalsContact C-N 3.26Å; H496-R498 PolarHBondContact O-N 3.31Å; H496-P542 VanDerWaalsContact CB-O 3.25Å; H496-P542 WeakPolarHBondContact CB-O 3.46Å
497	D	90.9	Very high	96.6	Very high	103 Å²	103	31.8 Å²	31.8	55%	0.551	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-4.1	178.1	71.2	-5.4	0	0	0	113.1	N495 S499	N495-D497 VanDerWaalsContact C-N 3.34Å; N495-D497 PolarHBondContact ND2-OD1 3.47Å; N495-D497 PolarHBondContact O-N 3.19Å; N495-D497 PolarHBondContact OD1-OD1 3.46Å; D497-S499 PolarHBondContact O-N 2.85Å; D497-S499 WeakPolarHBondContact OD1-CB 3.19Å; D497-S499 PolarHBondContact OD1-N 2.92Å; D497-S499 PolarHBondContact OD1-OG 3.47Å; D497-S499 WeakPolarHBondContact OD2-CB 3.03Å; D497-S499 PolarHBondContact OD2-OG 3.11Å
498	R	94.7	Very high	96.6	Very high	110 Å²	110	33.7 Å²	33.7	42%	0.415	16%	0.159	S	C	.	.	S	Bend	trans	56.2	28.9	-177.4	-51.4	177.2	-175.1	-95.7	-5.7	113.2	C455 T456 L494 N495 H496 L515	C455-R498 PolarHBondContact O-NH1 3.38Å; T456-R498 HydrophobicContact CG2-CB 4.16Å; L494-R498 HydrophobicContact CB-CG 4.46Å; L494-R498 HydrophobicContact CD1-CB 4.44Å; L494-R498 HydrophobicContact CD1-CG 4.39Å; N495-R498 WeakPolarHBondContact O-CA 3.49Å; N495-R498 PolarHBondContact O-N 2.73Å; N495-R498 VanDerWaalsContact OD1-CA 3.28Å; N495-R498 WeakPolarHBondContact OD1-CA 3.3Å; N495-R498 PolarHBondContact OD1-N 3.12Å; N495-R498 VanDerWaalsContact OD1-N 3.12Å; H496-R498 VanDerWaalsContact C-N 3.26Å; H496-R498 PolarHBondContact O-N 3.31Å; R498-L515 WeakPolarHBondContact O-CD1 3.49Å
499	S	94.8	Very high	96.6	Very high	44 Å²	44	31.7 Å²	31.7	31%	0.308	15%	0.154	S	C	.	.			trans	-89.9	-19.4	174.9	71.6	0	0	0	0	112.7	N495 D497 L515	N495-S499 PolarHBondContact ND2-OG 3.36Å; N495-S499 PolarHBondContact OD1-N 3.21Å; D497-S499 PolarHBondContact O-N 2.85Å; D497-S499 WeakPolarHBondContact OD1-CB 3.19Å; D497-S499 PolarHBondContact OD1-N 2.92Å; D497-S499 PolarHBondContact OD1-OG 3.47Å; D497-S499 WeakPolarHBondContact OD2-CB 3.03Å; D497-S499 PolarHBondContact OD2-OG 3.11Å; S499-L515 VanDerWaalsContact O-CB 3.25Å; S499-L515 WeakPolarHBondContact O-CB 3.34Å; S499-L515 WeakPolarHBondContact O-CG 3.28Å; S499-L515 PolarHBondContact O-N 2.92Å
500	E	96.6	Very high	96.5	Very high	13 Å²	13	31.7 Å²	31.7	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.6	-177.7	-55.7	-172.6	139.4	0	0	112.2	L494 N495 I512 I513 R521 F540	L494-E500 WeakPolarHBondContact CD2-O 3.35Å; N495-E500 HydrophobicContact CB-CB 4.46Å; N495-E500 PolarHBondContact N-O 2.96Å; N495-E500 WeakPolarHBondContact ND2-CB 3.41Å; N495-E500 WeakPolarHBondContact ND2-CG 3.33Å; N495-E500 PolarHBondContact OD1-N 3.15Å; N495-E500 PolarHBondContact OD1-O 2.93Å; E500-I512 HydrophobicContact CB-CG2 3.88Å; E500-I512 HydrophobicContact CG-CG2 4.28Å; E500-I513 WeakPolarHBondContact CA-O 3.39Å; E500-R521 WeakPolarHBondContact OE1-CD 3.48Å; E500-R521 IonicContact OE1-CZ 3.43Å; E500-R521 IonicContact OE1-NE 3.56Å; E500-R521 IonicContact OE1-NH1 2.64Å; E500-R521 PolarHBondContact OE1-NH1 2.81Å; E500-R521 IonicContact OE2-NH1 3.94Å; E500-F540 HydrophobicContact CB-CZ 4.36Å
501	L	98.1	Very high	96.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.1	177	176.5	72.1	0	0	0	110.1	V454 M461 V469 F471 L492 L494 T503 I512 I513 L515	V454-L501 HydrophobicContact CG2-CD1 3.58Å; M461-L501 HydrophobicContact SD-CB 4.45Å; M461-L501 HydrophobicContact SD-CD1 4.03Å; M461-L501 HydrophobicContact SD-CD2 3.85Å; M461-L501 HydrophobicContact SD-CG 4.34Å; V469-L501 HydrophobicContact CG1-CD2 4.03Å; F471-L501 HydrophobicContact CE1-CD2 4.36Å; F471-L501 HydrophobicContact CZ-CD2 4.11Å; L492-L501 HydrophobicContact CB-CD1 4.23Å; L492-L501 HydrophobicContact CD2-CD1 4.25Å; L492-L501 HydrophobicContact CD2-CD2 4.42Å; L494-L501 HydrophobicContact CD2-CB 4.29Å; L494-L501 HydrophobicContact CD2-CD1 3.91Å; L501-T503 HydrophobicContact CD2-CG2 3.84Å; L501-T503 HydrophobicContact CG-CG2 3.88Å; L501-I512 CarbonylContact O-C 3.58Å; L501-I512 WeakPolarHBondContact O-CA 3.4Å; L501-I513 HydrophobicContact CB-CB 4.38Å; L501-I513 HydrophobicContact CD2-CD1 4.4Å; L501-I513 PolarHBondContact N-O 2.85Å; L501-I513 PolarHBondContact O-N 3.33Å; L501-L515 HydrophobicContact CB-CD2 3.83Å; L501-L515 HydrophobicContact CB-CG 4.29Å
502	L	98.6	Very high	96.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129	167.3	176.2	63.7	0	0	0	109.2	L492 D493 L510 K511 I512 V538 F540 V547	L492-L502 WeakPolarHBondContact CA-O 3.35Å; D493-L502 HydrophobicContact CB-CB 4.39Å; D493-L502 HydrophobicContact CB-CD2 4.45Å; D493-L502 PolarHBondContact N-O 3.34Å; D493-L502 PolarHBondContact O-N 3.18Å; L502-L510 HydrophobicContact CD1-CB 4.13Å; L502-L510 HydrophobicContact CD1-CD2 4.28Å; L502-L510 HydrophobicContact CD1-CG 4.4Å; L502-K511 CarbonylContact C-O 3.55Å; L502-K511 WeakPolarHBondContact CA-O 3.39Å; L502-I512 HydrophobicContact CD1-CG1 4.05Å; L502-V538 HydrophobicContact CD1-CG2 4.49Å; L502-V538 HydrophobicContact CD2-CB 4.16Å; L502-V538 HydrophobicContact CD2-CG2 3.55Å; L502-V538 HydrophobicContact CG-CG2 3.71Å; L502-F540 HydrophobicContact CB-CD2 3.78Å; L502-F540 HydrophobicContact CB-CE1 4.49Å; L502-F540 HydrophobicContact CB-CE2 3.22Å; L502-F540 HydrophobicContact CB-CZ 3.63Å; L502-F540 HydrophobicContact CD2-CD2 4.21Å; L502-F540 HydrophobicContact CD2-CE2 4.39Å; L502-F540 HydrophobicContact CD2-CG 4.47Å; L502-F540 HydrophobicContact CG-CE2 4.39Å; L502-V547 HydrophobicContact CD1-CG1 4.09Å; L502-V547 HydrophobicContact CD2-CB 4.11Å; L502-V547 HydrophobicContact CD2-CG1 3.8Å
503	T	98.3	Very high	96.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.1	175.8	71	0	0	0	0	109.6	V469 L492 L501 L510 K511 I513	V469-T503 HydrophobicContact CG2-CG2 4.29Å; L492-T503 HydrophobicContact CD2-CG2 3.62Å; L501-T503 HydrophobicContact CD2-CG2 3.84Å; L501-T503 HydrophobicContact CG-CG2 3.88Å; T503-L510 CarbonylContact O-C 3.51Å; T503-L510 VanDerWaalsContact O-CA 3.29Å; T503-L510 WeakPolarHBondContact O-CA 3.34Å; T503-K511 PolarHBondContact N-O 3.01Å; T503-K511 PolarHBondContact O-N 2.8Å; T503-K511 PolarHBondContact OG1-O 3.42Å; T503-I513 HydrophobicContact CG2-CD1 3.74Å
504	C	98.2	Very high	96.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.8	167.2	-175.3	0	0	0	0	109.5	T490 S491 L510 V538	T490-C504 PolarHBondContact N-O 3.42Å; T490-C504 VanDerWaalsContact OG1-CB 3.32Å; T490-C504 WeakPolarHBondContact OG1-CB 3.45Å; T490-C504 PolarHBondContact OG1-O 2.96Å; T490-C504 VanDerWaalsContact OG1-O 3.09Å; T490-C504 PolarHBondContact OG1-SG 3.24Å; S491-C504 PolarHBondContact O-N 2.88Å; S491-C504 WeakPolarHBondContact OG-CB 3.44Å; C504-L510 HydrophobicContact CB-CD1 4.37Å; C504-L510 HydrophobicContact CB-CG 4.31Å; C504-V538 HydrophobicContact CB-CB 4.34Å; C504-V538 HydrophobicContact CB-CG1 3.65Å; C504-V538 HydrophobicContact CB-CG2 3.68Å
505	S	97.6	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	158.3	178.8	42.3	0	0	0	0	113.1	R488 D507 D508 V509 C531	R488-S505 CarbonylContact O-C 3.54Å; R488-S505 WeakPolarHBondContact O-CA 3.48Å; R488-S505 WeakPolarHBondContact O-CB 3.36Å; S505-D507 WeakPolarHBondContact CB-OD1 3.36Å; S505-D507 PolarHBondContact O-N 2.83Å; S505-D507 PolarHBondContact OG-OD1 2.88Å; S505-D508 PolarHBondContact O-N 3.16Å; S505-V509 PolarHBondContact N-O 3.41Å; S505-C531 PolarHBondContact O-SG 3.43Å; S505-C531 VanDerWaalsContact O-SG 3.4Å
506	R	97.1	Very high	96.1	Very high	80 Å²	80	43.4 Å²	43.4	30%	0.302	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	2	-178.7	-70.5	-59	-52.5	-101.6	13	115.2	R488 T490 D534	R488-R506 HydrophobicContact CB-CB 4.22Å; R488-R506 HydrophobicContact CB-CG 3.96Å; R488-R506 PolarHBondContact O-N 3.06Å; T490-R506 VanDerWaalsContact CG2-CD 3.46Å; T490-R506 HydrophobicContact CG2-CG 3.66Å; R506-D534 WeakPolarHBondContact CD-OD1 3.32Å; R506-D534 WeakPolarHBondContact CG-OD1 3.05Å; R506-D534 IonicContact CZ-OD1 3.73Å; R506-D534 IonicContact NE-OD1 3.68Å; R506-D534 IonicContact NH1-OD1 2.74Å; R506-D534 PolarHBondContact NH1-OD1 3.46Å; R506-D534 IonicContact NH1-OD2 3.92Å
507	D	95.9	Very high	96.2	Very high	46 Å²	46	39.4 Å²	39.4	25%	0.246	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	7.6	164.5	61.1	-16.7	0	0	0	112	L486 S505 V509	L486-D507 HydrophobicContact CB-CB 4.39Å; L486-D507 WeakPolarHBondContact CB-OD2 3.42Å; S505-D507 WeakPolarHBondContact CB-OD1 3.36Å; S505-D507 PolarHBondContact O-N 2.83Å; S505-D507 PolarHBondContact OG-OD1 2.88Å; D507-V509 VanDerWaalsContact C-N 3.29Å; D507-V509 PolarHBondContact O-N 3.31Å
508	D	96.8	Very high	96	Very high	46 Å²	46	36.3 Å²	36.3	25%	0.246	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	33.4	178.3	-54.7	-37.5	0	0	0	112.8	S505 F529 K530 C531	S505-D508 PolarHBondContact O-N 3.16Å; D508-F529 HydrophobicContact CB-CD1 4.46Å; D508-F529 WeakPolarHBondContact O-CD1 3.47Å; D508-K530 WeakPolarHBondContact OD1-CA 3.41Å; D508-C531 PolarHBondContact OD1-N 3.02Å
509	V	96.9	Very high	95.9	Very high	26 Å²	26	33.5 Å²	33.5	16%	0.158	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.9	-177.9	177.4	0	0	0	0	110.6	S505 D507 K511 T523	S505-V509 PolarHBondContact N-O 3.41Å; D507-V509 VanDerWaalsContact C-N 3.29Å; D507-V509 PolarHBondContact O-N 3.31Å; V509-K511 HydrophobicContact CG1-CG 4.03Å; V509-T523 HydrophobicContact CG1-CG2 3.31Å
510	L	97.9	Very high	95.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	141.6	167.6	-78.7	62.9	0	0	0	109	L502 T503 C504 T523 F524 F529 V538 V547 W559	L502-L510 HydrophobicContact CD1-CB 4.13Å; L502-L510 HydrophobicContact CD1-CD2 4.28Å; L502-L510 HydrophobicContact CD1-CG 4.4Å; T503-L510 CarbonylContact O-C 3.51Å; T503-L510 VanDerWaalsContact O-CA 3.29Å; T503-L510 WeakPolarHBondContact O-CA 3.34Å; C504-L510 HydrophobicContact CB-CD1 4.37Å; C504-L510 HydrophobicContact CB-CG 4.31Å; L510-T523 CarbonylContact O-C 3.54Å; L510-T523 WeakPolarHBondContact O-CA 3.35Å; L510-F524 HydrophobicContact CB-CB 4.17Å; L510-F524 HydrophobicContact CB-CD2 4.01Å; L510-F524 PolarHBondContact N-O 3.46Å; L510-F524 PolarHBondContact O-N 3.24Å; L510-F529 HydrophobicContact CD1-CD1 4.39Å; L510-F529 HydrophobicContact CD1-CE1 3.4Å; L510-F529 VanDerWaalsContact CD1-CE1 3.4Å; L510-F529 HydrophobicContact CD1-CE2 4.48Å; L510-F529 HydrophobicContact CD1-CZ 3.46Å; L510-F529 VanDerWaalsContact CD1-CZ 3.46Å; L510-V538 HydrophobicContact CD1-CG1 4.2Å; L510-V538 HydrophobicContact CD2-CB 4.05Å; L510-V538 HydrophobicContact CD2-CG1 3.85Å; L510-V538 HydrophobicContact CD2-CG2 4.35Å; L510-V538 HydrophobicContact CG-CG1 4.08Å; L510-V538 HydrophobicContact CG-CG2 4.48Å; L510-V547 HydrophobicContact CD2-CG2 4.43Å; L510-W559 HydrophobicContact CD2-CE3 4.29Å; L510-W559 HydrophobicContact CD2-CH2 4.4Å; L510-W559 HydrophobicContact CD2-CZ3 3.87Å
511	K	98	Very high	95.9	Very high	22 Å²	22	41.7 Å²	41.7	10%	0.096	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.7	175.5	-61.6	-178.6	-175.9	173	0	110.6	L485 L502 T503 V509 I520 Q522 T523	L485-K511 HydrophobicContact CD2-CD 3.75Å; L502-K511 CarbonylContact C-O 3.55Å; L502-K511 WeakPolarHBondContact CA-O 3.39Å; T503-K511 PolarHBondContact N-O 3.01Å; T503-K511 PolarHBondContact O-N 2.8Å; T503-K511 PolarHBondContact OG1-O 3.42Å; V509-K511 HydrophobicContact CG1-CG 4.03Å; K511-I520 HydrophobicContact CB-CG2 4.32Å; K511-I520 HydrophobicContact CD-CD1 3.96Å; K511-I520 HydrophobicContact CD-CG1 4.34Å; K511-I520 HydrophobicContact CD-CG2 4.35Å; K511-I520 HydrophobicContact CG-CG2 4.46Å; K511-Q522 WeakPolarHBondContact CA-O 3.47Å; K511-T523 HydrophobicContact CG-CG2 4.24Å
512	I	98.1	Very high	95.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.8	166.8	-70.2	169.5	0	0	0	108.1	E500 L501 L502 I520 R521 Q522 F524 F540 V547 V561	E500-I512 HydrophobicContact CB-CG2 3.88Å; E500-I512 HydrophobicContact CG-CG2 4.28Å; L501-I512 CarbonylContact O-C 3.58Å; L501-I512 WeakPolarHBondContact O-CA 3.4Å; L502-I512 HydrophobicContact CD1-CG1 4.05Å; I512-I520 CarbonylContact O-C 3.55Å; I512-I520 WeakPolarHBondContact O-CA 3.19Å; I512-R521 HydrophobicContact CG2-CB 4.25Å; I512-R521 PolarHBondContact O-N 3.26Å; I512-Q522 HydrophobicContact CB-CB 4.35Å; I512-Q522 PolarHBondContact N-O 2.91Å; I512-Q522 PolarHBondContact O-N 3.06Å; I512-F524 HydrophobicContact CD1-CE2 3.47Å; I512-F524 VanDerWaalsContact CD1-CE2 3.47Å; I512-F524 HydrophobicContact CD1-CZ 3.63Å; I512-F524 HydrophobicContact CG1-CE2 3.79Å; I512-F524 HydrophobicContact CG1-CZ 4.43Å; I512-F540 HydrophobicContact CD1-CE1 3.68Å; I512-F540 HydrophobicContact CD1-CZ 4.03Å; I512-F540 HydrophobicContact CG1-CE1 4.05Å; I512-F540 HydrophobicContact CG1-CZ 3.88Å; I512-F540 HydrophobicContact CG2-CZ 4.48Å; I512-V547 HydrophobicContact CD1-CG1 4.14Å; I512-V561 HydrophobicContact CD1-CB 4.33Å; I512-V561 HydrophobicContact CD1-CG1 3.63Å; I512-V561 HydrophobicContact CD1-CG2 3.83Å
513	I	97.2	Very high	95.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.5	179.2	-58.5	168.5	0	0	0	107.6	M483 E500 L501 T503 L515 A519 I520	M483-I513 HydrophobicContact CE-CD1 3.89Å; M483-I513 HydrophobicContact CE-CG1 4.36Å; M483-I513 HydrophobicContact CE-CG2 3.89Å; M483-I513 HydrophobicContact SD-CD1 4.25Å; M483-I513 HydrophobicContact SD-CG2 4.06Å; E500-I513 WeakPolarHBondContact CA-O 3.39Å; L501-I513 HydrophobicContact CB-CB 4.38Å; L501-I513 HydrophobicContact CD2-CD1 4.4Å; L501-I513 PolarHBondContact N-O 2.85Å; L501-I513 PolarHBondContact O-N 3.33Å; T503-I513 HydrophobicContact CG2-CD1 3.74Å; I513-L515 PolarHBondContact O-N 3.02Å; I513-A519 WeakPolarHBondContact CA-O 3.4Å; I513-I520 HydrophobicContact CG1-CG1 4.34Å
514	D	95.7	Very high	95.7	Very high	30 Å²	30	47.1 Å²	47.1	16%	0.16	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	121.5	171.2	167.1	-1	0	0	0	108.4	R516 S517 N518 A519	D514-R516 VanDerWaalsContact C-N 3.3Å; D514-R516 PolarHBondContact O-N 3.26Å; D514-R516 WeakPolarHBondContact OD1-CA 3.33Å; D514-R516 VanDerWaalsContact OD1-CB 3.29Å; D514-R516 WeakPolarHBondContact OD1-CB 3.32Å; D514-R516 PolarHBondContact OD1-N 3.21Å; D514-R516 IonicContact OD2-NH2 3.98Å; D514-S517 WeakPolarHBondContact CB-OG 3.26Å; D514-S517 PolarHBondContact OD1-N 3.02Å; D514-S517 WeakPolarHBondContact OD2-CB 3.39Å; D514-S517 PolarHBondContact OD2-OG 2.89Å; D514-N518 WeakPolarHBondContact O-CA 3.41Å; D514-N518 PolarHBondContact O-N 3.41Å; D514-A519 PolarHBondContact N-O 3.46Å
515	L	93.9	Very high	95.6	Very high	35 Å²	35	51 Å²	51	18%	0.183	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-19	-175.6	-64.9	177.6	0	0	0	113.6	T456 M461 F471 L494 R498 S499 L501 I513 N518	T456-L515 HydrophobicContact CG2-CD1 4.4Å; M461-L515 HydrophobicContact CE-CD1 3.89Å; M461-L515 HydrophobicContact CE-CD2 4.37Å; M461-L515 HydrophobicContact SD-CD1 4.19Å; M461-L515 HydrophobicContact SD-CD2 3.59Å; M461-L515 VanDerWaalsContact SD-CD2 3.59Å; F471-L515 HydrophobicContact CE1-CD2 3.69Å; F471-L515 HydrophobicContact CZ-CD2 4.5Å; L494-L515 HydrophobicContact CD2-CD1 3.97Å; R498-L515 WeakPolarHBondContact O-CD1 3.49Å; S499-L515 VanDerWaalsContact O-CB 3.25Å; S499-L515 WeakPolarHBondContact O-CB 3.34Å; S499-L515 WeakPolarHBondContact O-CG 3.28Å; S499-L515 PolarHBondContact O-N 2.92Å; L501-L515 HydrophobicContact CB-CD2 3.83Å; L501-L515 HydrophobicContact CB-CG 4.29Å; I513-L515 PolarHBondContact O-N 3.02Å; L515-N518 PolarHBondContact O-OD1 3.37Å
516	R	92.1	Very high	95.3	Very high	210 Å²	210	52.1 Å²	52.1	79%	0.792	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-49.9	176.1	-174.2	-175.7	62	87.9	7.7	110.3	D514 N518	D514-R516 VanDerWaalsContact C-N 3.3Å; D514-R516 PolarHBondContact O-N 3.26Å; D514-R516 WeakPolarHBondContact OD1-CA 3.33Å; D514-R516 VanDerWaalsContact OD1-CB 3.29Å; D514-R516 WeakPolarHBondContact OD1-CB 3.32Å; D514-R516 PolarHBondContact OD1-N 3.21Å; D514-R516 IonicContact OD2-NH2 3.98Å; R516-N518 PolarHBondContact O-ND2 2.98Å
517	S	92.3	Very high	94.9	Very high	62 Å²	62	57.9 Å²	57.9	43%	0.434	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-24.2	-178.6	64.8	0	0	0	0	113.6	D514 A519	D514-S517 WeakPolarHBondContact CB-OG 3.26Å; D514-S517 PolarHBondContact OD1-N 3.02Å; D514-S517 WeakPolarHBondContact OD2-CB 3.39Å; D514-S517 PolarHBondContact OD2-OG 2.89Å; S517-A519 PolarHBondContact O-N 3.46Å
518	N	87.9	Confident	94.6	Very high	38 Å²	38	57.4 Å²	57.4	20%	0.203	30%	0.303	C	S	.	.			trans	62.8	26.3	-176.1	-49.6	-68.3	0	0	0	113.4	R481 D514 L515 R516	R481-N518 VanDerWaalsContact CZ-ND2 3.25Å; R481-N518 PolarHBondContact NH1-ND2 3.41Å; R481-N518 PolarHBondContact NH1-OD1 3.4Å; R481-N518 PolarHBondContact NH2-ND2 2.91Å; D514-N518 WeakPolarHBondContact O-CA 3.41Å; D514-N518 PolarHBondContact O-N 3.41Å; L515-N518 PolarHBondContact O-OD1 3.37Å; R516-N518 PolarHBondContact O-ND2 2.98Å
519	A	92.4	Very high	94.5	Very high	51 Å²	51	55.4 Å²	55.4	42%	0.421	29%	0.292	S	S	.	.	S	Bend	trans	-99.8	148.6	173.9	0	0	0	0	0	110.1	I513 D514 S517 R521	I513-A519 WeakPolarHBondContact CA-O 3.4Å; D514-A519 PolarHBondContact N-O 3.46Å; S517-A519 PolarHBondContact O-N 3.46Å; A519-R521 PolarHBondContact O-N 2.96Å
520	I	95.5	Very high	94.5	Very high	83 Å²	83	60 Å²	60	43%	0.426	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	114.5	168.3	-62.6	161.4	0	0	0	107	K511 I512 I513	K511-I520 HydrophobicContact CB-CG2 4.32Å; K511-I520 HydrophobicContact CD-CD1 3.96Å; K511-I520 HydrophobicContact CD-CG1 4.34Å; K511-I520 HydrophobicContact CD-CG2 4.35Å; K511-I520 HydrophobicContact CG-CG2 4.46Å; I512-I520 CarbonylContact O-C 3.55Å; I512-I520 WeakPolarHBondContact O-CA 3.19Å; I513-I520 HydrophobicContact CG1-CG1 4.34Å
521	R	95.8	Very high	94.4	Very high	146 Å²	146	60.3 Å²	60.3	55%	0.551	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	-44.9	178.3	-179.3	-176	170.5	164.3	-3	111.4	E500 I512 A519	E500-R521 WeakPolarHBondContact OE1-CD 3.48Å; E500-R521 IonicContact OE1-CZ 3.43Å; E500-R521 IonicContact OE1-NE 3.56Å; E500-R521 IonicContact OE1-NH1 2.64Å; E500-R521 PolarHBondContact OE1-NH1 2.81Å; E500-R521 IonicContact OE2-NH1 3.94Å; I512-R521 HydrophobicContact CG2-CB 4.25Å; I512-R521 PolarHBondContact O-N 3.26Å; A519-R521 PolarHBondContact O-N 2.96Å
522	Q	96.4	Very high	94.1	Very high	51 Å²	51	60.6 Å²	60.6	24%	0.238	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	148.2	-176.2	-169.6	60.1	-78.6	0	0	110.7	K511 I512 F524 G564	K511-Q522 WeakPolarHBondContact CA-O 3.47Å; I512-Q522 HydrophobicContact CB-CB 4.35Å; I512-Q522 PolarHBondContact N-O 2.91Å; I512-Q522 PolarHBondContact O-N 3.06Å; Q522-F524 HydrophobicContact CB-CE2 4.12Å; Q522-F524 HydrophobicContact CB-CZ 3.93Å; Q522-F524 HydrophobicContact CG-CD1 4.16Å; Q522-F524 HydrophobicContact CG-CD2 4.43Å; Q522-F524 HydrophobicContact CG-CE1 3.5Å; Q522-F524 VanDerWaalsContact CG-CE1 3.5Å; Q522-F524 HydrophobicContact CG-CE2 3.79Å; Q522-F524 HydrophobicContact CG-CZ 3.28Å; Q522-G564 VanDerWaalsContact NE2-CA 3.28Å
523	T	97.1	Very high	93.9	Very high	62 Å²	62	61.1 Å²	61.1	38%	0.38	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.6	174.6	-60.9	0	0	0	0	108.8	V509 L510 K511	V509-T523 HydrophobicContact CG1-CG2 3.31Å; L510-T523 CarbonylContact O-C 3.54Å; L510-T523 WeakPolarHBondContact O-CA 3.35Å; K511-T523 HydrophobicContact CG-CG2 4.24Å
524	F	97.3	Very high	93.8	Very high	1 Å²	1	62.8 Å²	62.8	0%	0.004	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.1	179.2	-46.3	-88.9	0	0	0	110.4	L510 I512 Q522 V547 W559 V561	L510-F524 HydrophobicContact CB-CB 4.17Å; L510-F524 HydrophobicContact CB-CD2 4.01Å; L510-F524 PolarHBondContact N-O 3.46Å; L510-F524 PolarHBondContact O-N 3.24Å; I512-F524 HydrophobicContact CD1-CE2 3.47Å; I512-F524 VanDerWaalsContact CD1-CE2 3.47Å; I512-F524 HydrophobicContact CD1-CZ 3.63Å; I512-F524 HydrophobicContact CG1-CE2 3.79Å; I512-F524 HydrophobicContact CG1-CZ 4.43Å; Q522-F524 HydrophobicContact CB-CE2 4.12Å; Q522-F524 HydrophobicContact CB-CZ 3.93Å; Q522-F524 HydrophobicContact CG-CD1 4.16Å; Q522-F524 HydrophobicContact CG-CD2 4.43Å; Q522-F524 HydrophobicContact CG-CE1 3.5Å; Q522-F524 VanDerWaalsContact CG-CE1 3.5Å; Q522-F524 HydrophobicContact CG-CE2 3.79Å; Q522-F524 HydrophobicContact CG-CZ 3.28Å; F524-V547 HydrophobicContact CD1-CG2 4.39Å; F524-V547 HydrophobicContact CD2-CG2 3.97Å; F524-V547 HydrophobicContact CE1-CG2 4.24Å; F524-V547 HydrophobicContact CE2-CG2 3.84Å; F524-V547 HydrophobicContact CG-CG2 4.24Å; F524-V547 HydrophobicContact CZ-CG2 3.97Å; F524-W559 HydrophobicContact CB-CD2 4.16Å; F524-W559 HydrophobicContact CB-CG 3.98Å; F524-W559 HydrophobicContact CD1-CB 3.5Å; F524-W559 VanDerWaalsContact CD1-CB 3.5Å; F524-W559 AromaticContact CD1-CG 3.84Å; F524-W559 HydrophobicContact CD1-CG 3.84Å; F524-W559 HydrophobicContact CE1-CB 3.9Å; F524-W559 HydrophobicContact CG-CB 4.16Å; F524-W559 HydrophobicContact CG-CG 4.16Å; F524-V561 HydrophobicContact CZ-CB 4.45Å; F524-V561 HydrophobicContact CZ-CG2 4.16Å
525	S	94.9	Very high	93.7	Very high	82 Å²	82	65.9 Å²	65.9	57%	0.573	34%	0.344	S	S	*	.			trans	-147.2	156.1	169.1	60	0	0	0	0	108.3
526	A	93.1	Very high	93.9	Very high	22 Å²	22	64.2 Å²	64.2	18%	0.182	34%	0.335	C	S	.	.			trans	-142.6	149.5	176.5	0	0	0	0	0	109.7	G528 F529 Y557 W559 L566	A526-G528 PolarHBondContact O-N 3.03Å; A526-G528 VanDerWaalsContact O-N 3.11Å; A526-F529 HydrophobicContact CB-CB 4.04Å; A526-F529 PolarHBondContact O-N 3.37Å; A526-Y557 HydrophobicContact CB-CD1 3.77Å; A526-Y557 HydrophobicContact CB-CE1 3.79Å; A526-W559 HydrophobicContact CB-CZ2 4.05Å; A526-L566 HydrophobicContact CB-CD1 4.42Å; A526-L566 HydrophobicContact CB-CD2 3.93Å
527	Q	87.6	Confident	94.1	Very high	201 Å²	201	55 Å²	55	94%	0.939	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	110.3	171.8	-174.3	174.8	7.6	0	0	108.7
528	G	89.1	Confident	94.4	Very high	36 Å²	36	52.3 Å²	52.3	37%	0.371	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.8	-29.1	-178.9	0	0	0	0	0	113.8	A526 K530 S551 Y557	A526-G528 PolarHBondContact O-N 3.03Å; A526-G528 VanDerWaalsContact O-N 3.11Å; G528-K530 PolarHBondContact O-N 3.46Å; G528-S551 PolarHBondContact O-OG 2.92Å; G528-Y557 VanDerWaalsContact C-OH 3.24Å; G528-Y557 WeakPolarHBondContact CA-OH 3.34Å
529	F	95.4	Very high	94.9	Very high	5 Å²	5	51.2 Å²	51.2	2%	0.022	28%	0.276	C	S	.	.			trans	-64.5	120.6	177.2	177.2	-100.7	0	0	0	110.7	D508 L510 A526 G550 Y557 W559	D508-F529 HydrophobicContact CB-CD1 4.46Å; D508-F529 WeakPolarHBondContact O-CD1 3.47Å; L510-F529 HydrophobicContact CD1-CD1 4.39Å; L510-F529 HydrophobicContact CD1-CE1 3.4Å; L510-F529 VanDerWaalsContact CD1-CE1 3.4Å; L510-F529 HydrophobicContact CD1-CE2 4.48Å; L510-F529 HydrophobicContact CD1-CZ 3.46Å; L510-F529 VanDerWaalsContact CD1-CZ 3.46Å; A526-F529 HydrophobicContact CB-CB 4.04Å; A526-F529 PolarHBondContact O-N 3.37Å; F529-G550 WeakPolarHBondContact CE2-O 3.26Å; F529-Y557 HydrophobicContact CB-CD1 4.24Å; F529-Y557 HydrophobicContact CB-CD2 4.3Å; F529-Y557 HydrophobicContact CB-CE1 4.15Å; F529-Y557 HydrophobicContact CB-CE2 4.21Å; F529-Y557 HydrophobicContact CB-CG 4.34Å; F529-Y557 AromaticContact CD2-CD2 3.82Å; F529-Y557 HydrophobicContact CD2-CD2 3.82Å; F529-Y557 HydrophobicContact CD2-CE2 4.31Å; F529-Y557 HydrophobicContact CD2-CG 4.12Å; F529-Y557 PolarHBondContact N-OH 3.38Å; F529-W559 HydrophobicContact CB-CZ2 4.25Å; F529-W559 HydrophobicContact CD1-CH2 4.34Å; F529-W559 HydrophobicContact CD1-CZ2 4.45Å; F529-W559 AromaticContact CD2-CH2 3.6Å; F529-W559 HydrophobicContact CD2-CH2 3.6Å; F529-W559 HydrophobicContact CD2-CZ2 4.16Å; F529-W559 AromaticContact CE2-CH2 3.83Å; F529-W559 HydrophobicContact CE2-CH2 3.83Å; F529-W559 AromaticContact CG-CH2 3.89Å; F529-W559 HydrophobicContact CG-CH2 3.89Å; F529-W559 HydrophobicContact CG-CZ2 4.01Å; F529-W559 HydrophobicContact CZ-CH2 4.29Å
530	K	96.1	Very high	95.1	Very high	123 Å²	123	49.1 Å²	49.1	54%	0.535	26%	0.258	S	S	.	.			trans	-141.4	140.6	174.6	-65.4	-171	177.3	-178.7	0	111.2	D508 G528 G532 S551 A552	D508-K530 WeakPolarHBondContact OD1-CA 3.41Å; G528-K530 PolarHBondContact O-N 3.46Å; K530-G532 PolarHBondContact O-N 2.88Å; K530-S551 PolarHBondContact N-OG 3.38Å; K530-S551 VanDerWaalsContact N-OG 3.08Å; K530-S551 CarbonylContact O-C 3.54Å; K530-S551 WeakPolarHBondContact O-CA 3.45Å; K530-S551 PolarHBondContact O-OG 3.45Å; K530-A552 HydrophobicContact CB-CB 4.1Å; K530-A552 WeakPolarHBondContact O-CB 3.45Å; K530-A552 PolarHBondContact O-N 2.91Å
531	C	95.9	Very high	95.2	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.034	24%	0.238	C	C	.	.			trans	-72.3	114.9	175.4	-64.2	0	0	0	0	110.6	S505 D508	S505-C531 PolarHBondContact O-SG 3.43Å; S505-C531 VanDerWaalsContact O-SG 3.4Å; D508-C531 PolarHBondContact OD1-N 3.02Å
532	G	93.1	Very high	95.2	Very high	29 Å²	29	39.4 Å²	39.4	30%	0.299	22%	0.219	S	C	.	.			trans	-73.8	-25.6	179.2	0	0	0	0	0	114.6	K530 T536	K530-G532 PolarHBondContact O-N 2.88Å; G532-T536 PolarHBondContact N-OG1 3.26Å
533	A	93.3	Very high	95	Very high	10 Å²	10	39.2 Å²	39.2	8%	0.083	22%	0.22	C	C	.	.	S	Bend	trans	-138.3	164.1	-177.7	0	0	0	0	0	112.3	W535 T536	A533-W535 HydrophobicContact CB-CD2 4.15Å; A533-W535 HydrophobicContact CB-CG 4.2Å; A533-W535 HydrophobicContact CB-CZ2 4.43Å; A533-W535 PolarHBondContact O-N 3.38Å; A533-T536 PolarHBondContact N-OG1 3.5Å; A533-T536 VanDerWaalsContact N-OG1 3.15Å; A533-T536 PolarHBondContact O-N 2.86Å; A533-T536 PolarHBondContact O-OG1 3.21Å
534	D	93.9	Very high	94.9	Very high	36 Å²	36	36.9 Å²	36.9	19%	0.193	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-4.3	171.7	-79.5	-28.8	0	0	0	113.2	R488 T490 R506	R488-D534 IonicContact CZ-OD1 3.3Å; R488-D534 IonicContact CZ-OD2 3.62Å; R488-D534 IonicContact NE-OD1 2.87Å; R488-D534 VanDerWaalsContact NH1-CG 3.3Å; R488-D534 IonicContact NH1-OD1 3.54Å; R488-D534 PolarHBondContact NH1-OD1 2.93Å; R488-D534 VanDerWaalsContact NH1-OD1 3.14Å; R488-D534 IonicContact NH1-OD2 2.73Å; R488-D534 PolarHBondContact NH1-OD2 3.18Å; R488-D534 IonicContact NH2-OD1 2.7Å; R488-D534 PolarHBondContact NH2-OD1 3.38Å; R488-D534 IonicContact NH2-OD2 3.52Å; T490-D534 WeakPolarHBondContact CA-O 3.39Å; R506-D534 WeakPolarHBondContact CD-OD1 3.32Å; R506-D534 WeakPolarHBondContact CG-OD1 3.05Å; R506-D534 IonicContact CZ-OD1 3.73Å; R506-D534 IonicContact NE-OD1 3.68Å; R506-D534 IonicContact NH1-OD1 2.74Å; R506-D534 PolarHBondContact NH1-OD1 3.46Å; R506-D534 IonicContact NH1-OD2 3.92Å
535	W	94.5	Very high	94.8	Very high	96 Å²	96	39.2 Å²	39.2	36%	0.364	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	24.4	179.8	49.3	81.7	0	0	0	112.4	A533 R537	A533-W535 HydrophobicContact CB-CD2 4.15Å; A533-W535 HydrophobicContact CB-CG 4.2Å; A533-W535 HydrophobicContact CB-CZ2 4.43Å; A533-W535 PolarHBondContact O-N 3.38Å; W535-R537 VanDerWaalsContact O-CD 3.29Å; W535-R537 WeakPolarHBondContact O-CD 3.47Å; W535-R537 WeakPolarHBondContact O-CG 3.4Å; W535-R537 PolarHBondContact O-N 2.97Å; W535-R537 VanDerWaalsContact O-N 3.12Å; W535-R537 PolarHBondContact O-NE 2.87Å
536	T	97.3	Very high	94.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.205	C	C	.	.			trans	-56.2	117.3	172.2	-66	0	0	0	0	109.8	T490 S491 G532 A533 G550 N579	T490-T536 PolarHBondContact OG1-O 3.29Å; S491-T536 VanDerWaalsContact CB-O 3.27Å; S491-T536 WeakPolarHBondContact CB-O 3.46Å; S491-T536 PolarHBondContact OG-O 3.43Å; G532-T536 PolarHBondContact N-OG1 3.26Å; A533-T536 PolarHBondContact N-OG1 3.5Å; A533-T536 VanDerWaalsContact N-OG1 3.15Å; A533-T536 PolarHBondContact O-N 2.86Å; A533-T536 PolarHBondContact O-OG1 3.21Å; T536-G550 WeakPolarHBondContact CG2-O 3.3Å; T536-N579 CarbonylContact C-O 3.54Å; T536-N579 VanDerWaalsContact CA-O 3.3Å; T536-N579 WeakPolarHBondContact CA-O 3.41Å
537	R	97.8	Very high	95.1	Very high	16 Å²	16	36.3 Å²	36.3	6%	0.06	20%	0.196	C	C	.	.			trans	-94.6	129.8	-178.3	-46.6	-60.6	-173.6	129.4	-1.1	111.7	T368 L410 D452 S491 W535 N579 S580 V581	T368-R537 PolarHBondContact O-NH2 3.37Å; L410-R537 PolarHBondContact O-NH2 3.38Å; D452-R537 IonicContact OD1-CZ 2.92Å; D452-R537 IonicContact OD1-NH1 3.22Å; D452-R537 PolarHBondContact OD1-NH1 3.32Å; D452-R537 IonicContact OD2-CZ 3.76Å; D452-R537 IonicContact OD2-NH1 2.8Å; D452-R537 PolarHBondContact OD2-NH1 3.03Å; S491-R537 WeakPolarHBondContact OG-CA 3.29Å; W535-R537 VanDerWaalsContact O-CD 3.29Å; W535-R537 WeakPolarHBondContact O-CD 3.47Å; W535-R537 WeakPolarHBondContact O-CG 3.4Å; W535-R537 PolarHBondContact O-N 2.97Å; W535-R537 VanDerWaalsContact O-N 3.12Å; W535-R537 PolarHBondContact O-NE 2.87Å; R537-N579 PolarHBondContact N-O 3.02Å; R537-S580 WeakPolarHBondContact CB-OG 3.43Å; R537-V581 PolarHBondContact O-N 2.91Å
538	V	98	Very high	95.6	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.036	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	159.9	172.6	-56.5	0	0	0	0	109.5	S491 L502 C504 L510 A548	S491-V538 PolarHBondContact OG-N 2.85Å; L502-V538 HydrophobicContact CD1-CG2 4.49Å; L502-V538 HydrophobicContact CD2-CB 4.16Å; L502-V538 HydrophobicContact CD2-CG2 3.55Å; L502-V538 HydrophobicContact CG-CG2 3.71Å; C504-V538 HydrophobicContact CB-CB 4.34Å; C504-V538 HydrophobicContact CB-CG1 3.65Å; C504-V538 HydrophobicContact CB-CG2 3.68Å; L510-V538 HydrophobicContact CD1-CG1 4.2Å; L510-V538 HydrophobicContact CD2-CB 4.05Å; L510-V538 HydrophobicContact CD2-CG1 3.85Å; L510-V538 HydrophobicContact CD2-CG2 4.35Å; L510-V538 HydrophobicContact CG-CG1 4.08Å; L510-V538 HydrophobicContact CG-CG2 4.48Å; V538-A548 WeakPolarHBondContact CA-O 3.33Å; V538-A548 WeakPolarHBondContact CB-O 3.49Å
539	T	97.9	Very high	95.9	Very high	15 Å²	15	25 Å²	25	9%	0.092	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	150.8	-178.1	-165.6	0	0	0	0	112.8	D493 V547 A548 V581 W583	D493-T539 WeakPolarHBondContact OD2-CA 3.44Å; D493-T539 WeakPolarHBondContact OD2-CB 3.23Å; D493-T539 PolarHBondContact OD2-OG1 3.5Å; T539-V547 WeakPolarHBondContact O-CA 3.47Å; T539-A548 HydrophobicContact CG2-CB 4.24Å; T539-A548 PolarHBondContact N-O 3.35Å; T539-A548 PolarHBondContact O-N 3.31Å; T539-V581 HydrophobicContact CG2-CB 4.43Å; T539-V581 HydrophobicContact CG2-CG1 4.08Å; T539-W583 HydrophobicContact CG2-CB 4.27Å
540	F	97.9	Very high	95.9	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.031	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	153.8	165.2	-80.6	-76.9	0	0	0	111.6	D493 L494 N495 E500 L502 I512 V547	D493-F540 HydrophobicContact CB-CD2 4.37Å; D493-F540 PolarHBondContact OD2-N 3.34Å; L494-F540 VanDerWaalsContact C-CD2 3.4Å; N495-F540 HydrophobicContact CB-CD1 4.21Å; N495-F540 HydrophobicContact CB-CD2 3.99Å; N495-F540 HydrophobicContact CB-CE1 4.17Å; N495-F540 HydrophobicContact CB-CE2 3.89Å; N495-F540 HydrophobicContact CB-CG 4.11Å; N495-F540 HydrophobicContact CB-CZ 3.99Å; N495-F540 VanDerWaalsContact N-CD2 3.33Å; E500-F540 HydrophobicContact CB-CZ 4.36Å; L502-F540 HydrophobicContact CB-CD2 3.78Å; L502-F540 HydrophobicContact CB-CE1 4.49Å; L502-F540 HydrophobicContact CB-CE2 3.22Å; L502-F540 HydrophobicContact CB-CZ 3.63Å; L502-F540 HydrophobicContact CD2-CD2 4.21Å; L502-F540 HydrophobicContact CD2-CE2 4.39Å; L502-F540 HydrophobicContact CD2-CG 4.47Å; L502-F540 HydrophobicContact CG-CE2 4.39Å; I512-F540 HydrophobicContact CD1-CE1 3.68Å; I512-F540 HydrophobicContact CD1-CZ 4.03Å; I512-F540 HydrophobicContact CG1-CE1 4.05Å; I512-F540 HydrophobicContact CG1-CZ 3.88Å; I512-F540 HydrophobicContact CG2-CZ 4.48Å; F540-V547 HydrophobicContact CD1-CG1 3.56Å; F540-V547 HydrophobicContact CE1-CG1 3.7Å; F540-V547 HydrophobicContact CG-CG1 4.3Å
541	S	97.1	Very high	95.9	Very high	2 Å²	2	19 Å²	19	1%	0.014	11%	0.108	C	C	.	.			trans	-67.9	155.8	157.2	58.9	0	0	0	0	110.8	D543 G544 S545 Y546	S541-D543 WeakPolarHBondContact CB-OD1 3.37Å; S541-D543 PolarHBondContact O-N 2.87Å; S541-D543 VanDerWaalsContact O-N 3.09Å; S541-D543 PolarHBondContact OG-OD1 3.31Å; S541-G544 PolarHBondContact O-N 3.46Å; S541-G544 PolarHBondContact OG-N 3.39Å; S541-S545 PolarHBondContact OG-N 2.9Å; S541-Y546 PolarHBondContact N-O 3.46Å; S541-Y546 PolarHBondContact OG-N 2.9Å; S541-Y546 PolarHBondContact OG-O 3.44Å
542	P	95.2	Very high	95.9	Very high	22 Å²	22	20.7 Å²	20.7	14%	0.143	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23	-178.4	-24.9	33.3	0	0	0	114.8	V306 H496 W583 S584 P585	V306-P542 HydrophobicContact CG2-CB 4.45Å; V306-P542 HydrophobicContact CG2-CG 4.45Å; H496-P542 VanDerWaalsContact CB-O 3.25Å; H496-P542 WeakPolarHBondContact CB-O 3.46Å; P542-W583 VanDerWaalsContact CD-CD1 3.49Å; P542-W583 HydrophobicContact CG-CG 4.42Å; P542-S584 WeakPolarHBondContact CG-O 3.49Å; P542-P585 WeakPolarHBondContact CB-O 3.27Å
543	D	92.9	Very high	95.8	Very high	48 Å²	48	23.5 Å²	23.5	26%	0.257	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-7.9	176.4	70.4	-16.6	0	0	0	113.8	C303 V306 S541 S545	C303-D543 WeakPolarHBondContact SG-CA 3.44Å; C303-D543 WeakPolarHBondContact SG-CB 3.17Å; V306-D543 HydrophobicContact CB-CB 4.5Å; V306-D543 HydrophobicContact CG2-CB 3.65Å; V306-D543 WeakPolarHBondContact CG2-OD1 3.4Å; S541-D543 WeakPolarHBondContact CB-OD1 3.37Å; S541-D543 PolarHBondContact O-N 2.87Å; S541-D543 VanDerWaalsContact O-N 3.09Å; S541-D543 PolarHBondContact OG-OD1 3.31Å; D543-S545 PolarHBondContact O-N 3.37Å; D543-S545 WeakPolarHBondContact OD1-CB 3.1Å; D543-S545 PolarHBondContact OD1-N 2.95Å; D543-S545 WeakPolarHBondContact OD2-CB 3.11Å; D543-S545 PolarHBondContact OD2-OG 3.37Å
544	G	94.4	Very high	95.8	Very high	13 Å²	13	23 Å²	23	13%	0.134	13%	0.127	C	C	.	.	S	Bend	trans	73.3	5.2	-174.1	0	0	0	0	0	115.1	S541 Y546 V561	S541-G544 PolarHBondContact O-N 3.46Å; S541-G544 PolarHBondContact OG-N 3.39Å; G544-Y546 VanDerWaalsContact C-N 3.34Å; G544-V561 WeakPolarHBondContact O-CG2 3.44Å
545	S	94.9	Very high	95.9	Very high	50 Å²	50	21.4 Å²	21.4	35%	0.35	12%	0.119	S	C	.	.	S	Bend	trans	-76.1	-21.8	-179.8	-60	0	0	0	0	113.4	S541 D543 V561	S541-S545 PolarHBondContact OG-N 2.9Å; D543-S545 PolarHBondContact O-N 3.37Å; D543-S545 WeakPolarHBondContact OD1-CB 3.1Å; D543-S545 PolarHBondContact OD1-N 2.95Å; D543-S545 WeakPolarHBondContact OD2-CB 3.11Å; D543-S545 PolarHBondContact OD2-OG 3.37Å; S545-V561 WeakPolarHBondContact O-CB 3.48Å; S545-V561 PolarHBondContact O-N 2.97Å
546	Y	97.1	Very high	96	Very high	42 Å²	42	16.9 Å²	16.9	17%	0.165	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156.7	-176.5	-62.4	-86.2	0	0	0	111.8	V306 V308 S541 G544 V558 W559 N560 D567 W583	V306-Y546 HydrophobicContact CG1-CD2 3.99Å; V306-Y546 HydrophobicContact CG1-CE2 4.46Å; V308-Y546 HydrophobicContact CG2-CD1 4.08Å; V308-Y546 HydrophobicContact CG2-CD2 4.19Å; V308-Y546 HydrophobicContact CG2-CE1 3.55Å; V308-Y546 HydrophobicContact CG2-CE2 3.69Å; V308-Y546 HydrophobicContact CG2-CG 4.37Å; S541-Y546 PolarHBondContact N-O 3.46Å; S541-Y546 PolarHBondContact OG-N 2.9Å; S541-Y546 PolarHBondContact OG-O 3.44Å; G544-Y546 VanDerWaalsContact C-N 3.34Å; Y546-V558 HydrophobicContact CD1-CG1 3.99Å; Y546-V558 HydrophobicContact CG-CG1 4.38Å; Y546-W559 VanDerWaalsContact CA-O 3.26Å; Y546-W559 WeakPolarHBondContact CA-O 3.39Å; Y546-W559 WeakPolarHBondContact CD1-O 3.39Å; Y546-N560 HydrophobicContact CD1-CB 4.17Å; Y546-N560 HydrophobicContact CE1-CB 3.92Å; Y546-D567 HydrophobicContact CE1-CB 4.38Å; Y546-D567 VanDerWaalsContact CE1-OD2 3.27Å; Y546-D567 WeakPolarHBondContact CE1-OD2 3.43Å; Y546-W583 HydrophobicContact CG-CH2 4.39Å
547	V	97.8	Very high	96	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140	167.1	-65.7	0	0	0	0	109.2	L502 L510 I512 F524 T539 F540 V558 W559 V561	L502-V547 HydrophobicContact CD1-CG1 4.09Å; L502-V547 HydrophobicContact CD2-CB 4.11Å; L502-V547 HydrophobicContact CD2-CG1 3.8Å; L510-V547 HydrophobicContact CD2-CG2 4.43Å; I512-V547 HydrophobicContact CD1-CG1 4.14Å; F524-V547 HydrophobicContact CD1-CG2 4.39Å; F524-V547 HydrophobicContact CD2-CG2 3.97Å; F524-V547 HydrophobicContact CE1-CG2 4.24Å; F524-V547 HydrophobicContact CE2-CG2 3.84Å; F524-V547 HydrophobicContact CG-CG2 4.24Å; F524-V547 HydrophobicContact CZ-CG2 3.97Å; T539-V547 WeakPolarHBondContact O-CA 3.47Å; F540-V547 HydrophobicContact CD1-CG1 3.56Å; F540-V547 HydrophobicContact CE1-CG1 3.7Å; F540-V547 HydrophobicContact CG-CG1 4.3Å; V547-V558 WeakPolarHBondContact O-CA 3.42Å; V547-W559 HydrophobicContact CG2-CB 3.84Å; V547-W559 HydrophobicContact CG2-CE3 4.06Å; V547-W559 PolarHBondContact N-O 3.47Å; V547-W559 PolarHBondContact O-N 3.4Å; V547-V561 HydrophobicContact CG1-CG2 3.81Å
548	A	97.6	Very high	95.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.9	179.7	0	0	0	0	0	110.8	V538 T539 L556 Y557 V558 V581 W583	V538-A548 WeakPolarHBondContact CA-O 3.33Å; V538-A548 WeakPolarHBondContact CB-O 3.49Å; T539-A548 HydrophobicContact CG2-CB 4.24Å; T539-A548 PolarHBondContact N-O 3.35Å; T539-A548 PolarHBondContact O-N 3.31Å; A548-L556 HydrophobicContact CB-CD1 4.41Å; A548-Y557 WeakPolarHBondContact CA-O 3.48Å; A548-V558 HydrophobicContact CB-CG2 4.32Å; A548-V581 HydrophobicContact CB-CG1 3.99Å; A548-W583 HydrophobicContact CB-CE3 4.02Å; A548-W583 HydrophobicContact CB-CZ3 3.96Å
549	G	96.6	Very high	95.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	134.4	-178.6	0	0	0	0	0	112	Y557	G549-Y557 PolarHBondContact N-O 3.47Å; G549-Y557 PolarHBondContact O-N 2.99Å
550	G	95.5	Very high	95.9	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	141.6	175.8	0	0	0	0	0	112.2	F529 T536	F529-G550 WeakPolarHBondContact CE2-O 3.26Å; T536-G550 WeakPolarHBondContact CG2-O 3.3Å
551	S	95.7	Very high	95.8	Very high	1 Å²	1	17 Å²	17	1%	0.007	10%	0.102	C	C	.	.			trans	-110.6	163.6	-177.4	175.2	0	0	0	0	113	G528 K530 D553 G554 A555 Y557 I578	G528-S551 PolarHBondContact O-OG 2.92Å; K530-S551 PolarHBondContact N-OG 3.38Å; K530-S551 VanDerWaalsContact N-OG 3.08Å; K530-S551 CarbonylContact O-C 3.54Å; K530-S551 WeakPolarHBondContact O-CA 3.45Å; K530-S551 PolarHBondContact O-OG 3.45Å; S551-D553 WeakPolarHBondContact CB-OD1 3.46Å; S551-D553 PolarHBondContact O-N 3.46Å; S551-D553 PolarHBondContact OG-OD1 3.29Å; S551-G554 PolarHBondContact O-N 2.93Å; S551-G554 VanDerWaalsContact O-N 3.16Å; S551-A555 WeakPolarHBondContact CB-O 3.45Å; S551-A555 PolarHBondContact N-O 3.29Å; S551-Y557 VanDerWaalsContact CB-CE2 3.42Å; S551-I578 PolarHBondContact O-N 3.07Å
552	A	95	Very high	95.6	Very high	42 Å²	42	23.8 Å²	23.8	35%	0.347	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.7	179.2	0	0	0	0	0	113.5	K530 G554 A577	K530-A552 HydrophobicContact CB-CB 4.1Å; K530-A552 WeakPolarHBondContact O-CB 3.45Å; K530-A552 PolarHBondContact O-N 2.91Å; A552-G554 PolarHBondContact O-N 3.38Å; A552-A577 HydrophobicContact CB-CB 4.48Å
553	D	91.9	Very high	95.6	Very high	87 Å²	87	26.5 Å²	26.5	47%	0.465	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-1.7	175.3	59.7	-1.3	0	0	0	113.3	S551 A555 Y557	S551-D553 WeakPolarHBondContact CB-OD1 3.46Å; S551-D553 PolarHBondContact O-N 3.46Å; S551-D553 PolarHBondContact OG-OD1 3.29Å; D553-A555 VanDerWaalsContact C-N 3.31Å; D553-A555 WeakPolarHBondContact OD1-CB 3.43Å; D553-A555 PolarHBondContact OD1-N 2.98Å; D553-Y557 PolarHBondContact OD2-OH 2.89Å
554	G	93.1	Very high	95.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.01	15%	0.151	C	C	.	.	S	Bend	trans	82.4	7.1	-176.9	0	0	0	0	0	113.8	S551 A552 H574 S576	S551-G554 PolarHBondContact O-N 2.93Å; S551-G554 VanDerWaalsContact O-N 3.16Å; A552-G554 PolarHBondContact O-N 3.38Å; G554-H574 WeakPolarHBondContact O-CB 3.33Å; G554-S576 VanDerWaalsContact CA-O 3.3Å; G554-S576 WeakPolarHBondContact CA-O 3.2Å
555	A	95.1	Very high	95.6	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.017	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-90	143.5	176.1	0	0	0	0	0	111.9	S551 D553 Y557 T569 L570 D571 I578	S551-A555 WeakPolarHBondContact CB-O 3.45Å; S551-A555 PolarHBondContact N-O 3.29Å; D553-A555 VanDerWaalsContact C-N 3.31Å; D553-A555 WeakPolarHBondContact OD1-CB 3.43Å; D553-A555 PolarHBondContact OD1-N 2.98Å; A555-Y557 HydrophobicContact CB-CD2 4.25Å; A555-Y557 HydrophobicContact CB-CE2 3.63Å; A555-T569 HydrophobicContact CB-CG2 4.1Å; A555-L570 WeakPolarHBondContact CA-O 3.39Å; A555-D571 WeakPolarHBondContact CB-OD1 3.38Å; A555-I578 WeakPolarHBondContact O-CD1 3.38Å
556	L	96.4	Very high	95.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.9	172.7	173.3	65.4	0	0	0	109.1	A548 L570 I578 V581 V590 W602	A548-L556 HydrophobicContact CB-CD1 4.41Å; L556-L570 HydrophobicContact CB-CB 4.18Å; L556-L570 HydrophobicContact CD2-CD1 3.89Å; L556-L570 HydrophobicContact CG-CD1 4.33Å; L556-L570 PolarHBondContact N-O 3.39Å; L556-L570 PolarHBondContact O-N 3.35Å; L556-I578 HydrophobicContact CB-CD1 4.1Å; L556-V581 HydrophobicContact CD1-CB 4.43Å; L556-V581 HydrophobicContact CD1-CG1 3.84Å; L556-V581 HydrophobicContact CD1-CG2 3.68Å; L556-V590 HydrophobicContact CD2-CG1 3.98Å; L556-W602 HydrophobicContact CD2-CD2 4.26Å; L556-W602 HydrophobicContact CD2-CG 4.12Å
557	Y	96.9	Very high	95.5	Very high	9 Å²	9	32.8 Å²	32.8	4%	0.035	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.1	-179.6	-69.4	-105.6	0	0	0	109.9	A526 G528 F529 A548 G549 S551 D553 A555 W559 L566 T569	A526-Y557 HydrophobicContact CB-CD1 3.77Å; A526-Y557 HydrophobicContact CB-CE1 3.79Å; G528-Y557 VanDerWaalsContact C-OH 3.24Å; G528-Y557 WeakPolarHBondContact CA-OH 3.34Å; F529-Y557 HydrophobicContact CB-CD1 4.24Å; F529-Y557 HydrophobicContact CB-CD2 4.3Å; F529-Y557 HydrophobicContact CB-CE1 4.15Å; F529-Y557 HydrophobicContact CB-CE2 4.21Å; F529-Y557 HydrophobicContact CB-CG 4.34Å; F529-Y557 AromaticContact CD2-CD2 3.82Å; F529-Y557 HydrophobicContact CD2-CD2 3.82Å; F529-Y557 HydrophobicContact CD2-CE2 4.31Å; F529-Y557 HydrophobicContact CD2-CG 4.12Å; F529-Y557 PolarHBondContact N-OH 3.38Å; A548-Y557 WeakPolarHBondContact CA-O 3.48Å; G549-Y557 PolarHBondContact N-O 3.47Å; G549-Y557 PolarHBondContact O-N 2.99Å; S551-Y557 VanDerWaalsContact CB-CE2 3.42Å; D553-Y557 PolarHBondContact OD2-OH 2.89Å; A555-Y557 HydrophobicContact CB-CD2 4.25Å; A555-Y557 HydrophobicContact CB-CE2 3.63Å; Y557-W559 HydrophobicContact CD1-CZ2 4.16Å; Y557-W559 HydrophobicContact CG-CH2 4.03Å; Y557-W559 HydrophobicContact CG-CZ2 4.09Å; Y557-W559 WeakPolarHBondContact O-CZ3 3.48Å; Y557-L566 HydrophobicContact CD1-CD1 3.71Å; Y557-L566 HydrophobicContact CD1-CD2 4.14Å; Y557-L566 HydrophobicContact CE1-CD2 4.4Å; Y557-L566 HydrophobicContact CG-CD1 4.4Å; Y557-T569 HydrophobicContact CD1-CG2 4.07Å; Y557-T569 HydrophobicContact CD2-CG2 4.49Å; Y557-T569 HydrophobicContact CE1-CG2 3.76Å; Y557-T569 HydrophobicContact CE2-CG2 4.21Å; Y557-T569 HydrophobicContact CG-CG2 4.42Å
558	V	97.3	Very high	95.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.7	176.3	-175.6	0	0	0	0	109.2	V308 P309 Y546 V547 A548 D567 R568 W583	V308-V558 HydrophobicContact CG1-CG1 4.21Å; P309-V558 HydrophobicContact CG-CG2 4.44Å; Y546-V558 HydrophobicContact CD1-CG1 3.99Å; Y546-V558 HydrophobicContact CG-CG1 4.38Å; V547-V558 WeakPolarHBondContact O-CA 3.42Å; A548-V558 HydrophobicContact CB-CG2 4.32Å; V558-D567 PolarHBondContact O-N 2.93Å; V558-R568 HydrophobicContact CB-CB 4.34Å; V558-R568 PolarHBondContact N-O 2.98Å; V558-R568 PolarHBondContact O-N 3.16Å; V558-R568 VanDerWaalsContact O-N 3.08Å; V558-W583 HydrophobicContact CG1-CH2 4.09Å; V558-W583 HydrophobicContact CG1-CZ3 4.17Å
559	W	97.9	Very high	95.1	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.1	178.6	-59.3	-100.1	0	0	0	110.9	L510 F524 A526 F529 Y546 V547 Y557 K565 L566	L510-W559 HydrophobicContact CD2-CE3 4.29Å; L510-W559 HydrophobicContact CD2-CH2 4.4Å; L510-W559 HydrophobicContact CD2-CZ3 3.87Å; F524-W559 HydrophobicContact CB-CD2 4.16Å; F524-W559 HydrophobicContact CB-CG 3.98Å; F524-W559 HydrophobicContact CD1-CB 3.5Å; F524-W559 VanDerWaalsContact CD1-CB 3.5Å; F524-W559 AromaticContact CD1-CG 3.84Å; F524-W559 HydrophobicContact CD1-CG 3.84Å; F524-W559 HydrophobicContact CE1-CB 3.9Å; F524-W559 HydrophobicContact CG-CB 4.16Å; F524-W559 HydrophobicContact CG-CG 4.16Å; A526-W559 HydrophobicContact CB-CZ2 4.05Å; F529-W559 HydrophobicContact CB-CZ2 4.25Å; F529-W559 HydrophobicContact CD1-CH2 4.34Å; F529-W559 HydrophobicContact CD1-CZ2 4.45Å; F529-W559 AromaticContact CD2-CH2 3.6Å; F529-W559 HydrophobicContact CD2-CH2 3.6Å; F529-W559 HydrophobicContact CD2-CZ2 4.16Å; F529-W559 AromaticContact CE2-CH2 3.83Å; F529-W559 HydrophobicContact CE2-CH2 3.83Å; F529-W559 AromaticContact CG-CH2 3.89Å; F529-W559 HydrophobicContact CG-CH2 3.89Å; F529-W559 HydrophobicContact CG-CZ2 4.01Å; F529-W559 HydrophobicContact CZ-CH2 4.29Å; Y546-W559 VanDerWaalsContact CA-O 3.26Å; Y546-W559 WeakPolarHBondContact CA-O 3.39Å; Y546-W559 WeakPolarHBondContact CD1-O 3.39Å; V547-W559 HydrophobicContact CG2-CB 3.84Å; V547-W559 HydrophobicContact CG2-CE3 4.06Å; V547-W559 PolarHBondContact N-O 3.47Å; V547-W559 PolarHBondContact O-N 3.4Å; Y557-W559 HydrophobicContact CD1-CZ2 4.16Å; Y557-W559 HydrophobicContact CG-CH2 4.03Å; Y557-W559 HydrophobicContact CG-CZ2 4.09Å; Y557-W559 WeakPolarHBondContact O-CZ3 3.48Å; W559-K565 WeakPolarHBondContact CA-O 3.47Å; W559-L566 HydrophobicContact CD2-CD1 4.17Å; W559-L566 HydrophobicContact CG-CD1 4.19Å; W559-L566 HydrophobicContact CZ2-CD1 4.45Å
560	N	96.6	Very high	94.9	Very high	30 Å²	30	41 Å²	41	16%	0.16	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.2	172.9	177	-78.1	0	0	0	109.9	Y546 L562 T563 G564 K565 D567	Y546-N560 HydrophobicContact CD1-CB 4.17Å; Y546-N560 HydrophobicContact CE1-CB 3.92Å; N560-L562 PolarHBondContact O-N 3.34Å; N560-L562 PolarHBondContact OD1-N 2.95Å; N560-T563 WeakPolarHBondContact CB-OG1 3.45Å; N560-T563 WeakPolarHBondContact OD1-CG2 3.47Å; N560-T563 PolarHBondContact OD1-N 3.41Å; N560-T563 PolarHBondContact OD1-OG1 3.45Å; N560-G564 WeakPolarHBondContact O-CA 3.31Å; N560-G564 PolarHBondContact O-N 3.37Å; N560-K565 PolarHBondContact N-O 3.18Å; N560-D567 HydrophobicContact CB-CB 4.47Å
561	V	96.3	Very high	94.1	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.042	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-40.7	-172.9	172.1	0	0	0	0	112.2	I512 F524 G544 S545 V547	I512-V561 HydrophobicContact CD1-CB 4.33Å; I512-V561 HydrophobicContact CD1-CG1 3.63Å; I512-V561 HydrophobicContact CD1-CG2 3.83Å; F524-V561 HydrophobicContact CZ-CB 4.45Å; F524-V561 HydrophobicContact CZ-CG2 4.16Å; G544-V561 WeakPolarHBondContact O-CG2 3.44Å; S545-V561 WeakPolarHBondContact O-CB 3.48Å; S545-V561 PolarHBondContact O-N 2.97Å; V547-V561 HydrophobicContact CG1-CG2 3.81Å
562	L	94.3	Very high	92.6	Very high	144 Å²	144	56.1 Å²	56.1	75%	0.754	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-46.4	-178.2	-179.7	64.2	0	0	0	111.9	N560	N560-L562 PolarHBondContact O-N 3.34Å; N560-L562 PolarHBondContact OD1-N 2.95Å
563	T	94.1	Very high	92	Very high	80 Å²	80	57 Å²	57	49%	0.491	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-20.5	-175.9	63.6	0	0	0	0	113.4	N560 K565	N560-T563 WeakPolarHBondContact CB-OG1 3.45Å; N560-T563 WeakPolarHBondContact OD1-CG2 3.47Å; N560-T563 PolarHBondContact OD1-N 3.41Å; N560-T563 PolarHBondContact OD1-OG1 3.45Å; T563-K565 PolarHBondContact O-N 2.98Å; T563-K565 PolarHBondContact OG1-N 3.47Å
564	G	93.3	Very high	92	Very high	19 Å²	19	53.4 Å²	53.4	20%	0.196	26%	0.262	C	S	.	.			trans	72	0.3	-172.4	0	0	0	0	0	114	Q522 N560	Q522-G564 VanDerWaalsContact NE2-CA 3.28Å; N560-G564 WeakPolarHBondContact O-CA 3.31Å; N560-G564 PolarHBondContact O-N 3.37Å
565	K	94.5	Very high	91.8	Very high	149 Å²	149	57.6 Å²	57.6	65%	0.648	29%	0.291	S	S	*	.	S	Bend	trans	-90.4	149.5	-175.3	-65.8	-175.5	-179.7	-179.5	0	111.1	W559 N560 T563 D567	W559-K565 WeakPolarHBondContact CA-O 3.47Å; N560-K565 PolarHBondContact N-O 3.18Å; T563-K565 PolarHBondContact O-N 2.98Å; T563-K565 PolarHBondContact OG1-N 3.47Å; K565-D567 PolarHBondContact O-N 2.75Å
566	L	95.6	Very high	91.8	Very high	68 Å²	68	58.9 Å²	58.9	36%	0.356	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	121.9	166.9	-177.3	65.9	0	0	0	108.6	A526 Y557 W559 R568 T569	A526-L566 HydrophobicContact CB-CD1 4.42Å; A526-L566 HydrophobicContact CB-CD2 3.93Å; Y557-L566 HydrophobicContact CD1-CD1 3.71Å; Y557-L566 HydrophobicContact CD1-CD2 4.14Å; Y557-L566 HydrophobicContact CE1-CD2 4.4Å; Y557-L566 HydrophobicContact CG-CD1 4.4Å; W559-L566 HydrophobicContact CD2-CD1 4.17Å; W559-L566 HydrophobicContact CG-CD1 4.19Å; W559-L566 HydrophobicContact CZ2-CD1 4.45Å; L566-R568 WeakPolarHBondContact CD1-O 3.41Å; L566-T569 WeakPolarHBondContact CD2-OG1 3.46Å
567	D	93.9	Very high	91.7	Very high	48 Å²	48	59.6 Å²	59.6	26%	0.257	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-47.2	178.8	-171.8	18.5	0	0	0	110.2	Y546 V558 N560 K565	Y546-D567 HydrophobicContact CE1-CB 4.38Å; Y546-D567 VanDerWaalsContact CE1-OD2 3.27Å; Y546-D567 WeakPolarHBondContact CE1-OD2 3.43Å; V558-D567 PolarHBondContact O-N 2.93Å; N560-D567 HydrophobicContact CB-CB 4.47Å; K565-D567 PolarHBondContact O-N 2.75Å
568	R	92.9	Very high	91.7	Very high	107 Å²	107	59.1 Å²	59.1	40%	0.404	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.6	179.9	-64.2	-65.7	179.7	-84.8	-8.6	112.4	V308 V558 L566	V308-R568 HydrophobicContact CG1-CB 4.34Å; V308-R568 HydrophobicContact CG1-CG 3.62Å; V558-R568 HydrophobicContact CB-CB 4.34Å; V558-R568 PolarHBondContact N-O 2.98Å; V558-R568 PolarHBondContact O-N 3.16Å; V558-R568 VanDerWaalsContact O-N 3.08Å; L566-R568 WeakPolarHBondContact CD1-O 3.41Å
569	T	93.9	Very high	91.7	Very high	53 Å²	53	59.2 Å²	59.2	33%	0.325	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.8	162.5	-48.6	0	0	0	0	107.1	A555 Y557 L566 D571	A555-T569 HydrophobicContact CB-CG2 4.1Å; Y557-T569 HydrophobicContact CD1-CG2 4.07Å; Y557-T569 HydrophobicContact CD2-CG2 4.49Å; Y557-T569 HydrophobicContact CE1-CG2 3.76Å; Y557-T569 HydrophobicContact CE2-CG2 4.21Å; Y557-T569 HydrophobicContact CG-CG2 4.42Å; L566-T569 WeakPolarHBondContact CD2-OG1 3.46Å; T569-D571 WeakPolarHBondContact CG2-OD1 3.49Å
570	L	91.8	Very high	91.8	Very high	12 Å²	12	59.3 Å²	59.3	6%	0.063	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	101.5	-179.8	-62.2	169.6	0	0	0	108	P309 T310 A555 L556 W602	P309-L570 HydrophobicContact CB-CD1 3.97Å; P309-L570 HydrophobicContact CG-CD1 3.82Å; T310-L570 WeakPolarHBondContact O-CD2 3.34Å; A555-L570 WeakPolarHBondContact CA-O 3.39Å; L556-L570 HydrophobicContact CB-CB 4.18Å; L556-L570 HydrophobicContact CD2-CD1 3.89Å; L556-L570 HydrophobicContact CG-CD1 4.33Å; L556-L570 PolarHBondContact N-O 3.39Å; L556-L570 PolarHBondContact O-N 3.35Å; L570-W602 HydrophobicContact CB-CE3 4.15Å; L570-W602 HydrophobicContact CB-CH2 4.16Å; L570-W602 HydrophobicContact CB-CZ3 3.8Å; L570-W602 HydrophobicContact CD1-CD2 4.24Å; L570-W602 HydrophobicContact CD1-CE3 3.95Å; L570-W602 HydrophobicContact CD1-CZ3 4.45Å; L570-W602 HydrophobicContact CG-CE3 4.47Å
571	D	79.6	Confident	91.8	Very high	92 Å²	92	58.1 Å²	58.1	49%	0.492	30%	0.298	S	S	.	.			trans	-98.4	148.2	-170.2	-75.2	-20	0	0	0	113.4	A555 T569	A555-D571 WeakPolarHBondContact CB-OD1 3.38Å; T569-D571 WeakPolarHBondContact CG2-OD1 3.49Å
572	R	63.8	Low	91.9	Very high	227 Å²	227	58.2 Å²	58.2	86%	0.857	30%	0.3	S	S	*	.	S	Bend	trans	76.1	21.1	154.3	-69.1	-177.7	-169.4	-132	3.3	121.5
573	N	82.3	Confident	92	Very high	62 Å²	62	51.9 Å²	51.9	33%	0.332	27%	0.266	S	S	.	.	S	Bend	trans	-98.6	-28.5	167.1	-69.7	24.4	0	0	0	113.5	A312 V315 R598 I600 W602	A312-N573 WeakPolarHBondContact CB-ND2 3.24Å; V315-N573 HydrophobicContact CG2-CB 4.33Å; N573-R598 PolarHBondContact O-NH1 3.47Å; N573-I600 HydrophobicContact CB-CD1 3.31Å; N573-W602 HydrophobicContact CB-CH2 4.11Å
574	H	91.9	Very high	92.2	Very high	11 Å²	11	48.1 Å²	48.1	5%	0.051	24%	0.242	C	C	.	.			trans	-80.7	139.5	169.6	-76	-64.2	0	0	0	110.6	G554 I578 S592 E594 I600	G554-H574 WeakPolarHBondContact O-CB 3.33Å; H574-I578 HydrophobicContact CB-CG1 4.36Å; H574-S592 PolarHBondContact NE2-OG 2.9Å; H574-E594 WeakPolarHBondContact CA-OE2 3.37Å; H574-E594 HydrophobicContact CB-CB 4.47Å; H574-E594 WeakPolarHBondContact CB-OE2 3.39Å; H574-E594 IonicContact CG-OE2 3.81Å; H574-E594 WeakPolarHBondContact ND1-CB 3.46Å; H574-E594 WeakPolarHBondContact ND1-CG 3.45Å; H574-E594 IonicContact ND1-OE2 3.57Å; H574-E594 PolarHBondContact ND1-OE2 2.87Å; H574-I600 WeakPolarHBondContact NE2-CD1 3.32Å
575	S	90.6	Very high	92.2	Very high	89 Å²	89	50 Å²	50	62%	0.622	25%	0.251	S	S	*	.	S	Bend	trans	-97.9	-4.5	176.9	57.1	0	0	0	0	112.3	E594	S575-E594 PolarHBondContact N-OE2 2.68Å
576	S	93.8	Very high	92.1	Very high	29 Å²	29	44.7 Å²	44.7	20%	0.203	23%	0.233	C	C	.	.	S	Bend	trans	-145.5	174.9	-178.6	61.8	0	0	0	0	111.6	G554 I578 E594 G596	G554-S576 VanDerWaalsContact CA-O 3.3Å; G554-S576 WeakPolarHBondContact CA-O 3.2Å; S576-I578 PolarHBondContact O-N 2.96Å; S576-E594 PolarHBondContact N-OE2 3.18Å; S576-E594 WeakPolarHBondContact OG-CB 3.47Å; S576-E594 PolarHBondContact OG-OE2 2.73Å; S576-G596 PolarHBondContact OG-N 3.24Å
577	A	95.3	Very high	92	Very high	14 Å²	14	41.4 Å²	41.4	12%	0.116	22%	0.216	C	C	.	.			trans	-56.1	134.4	180	0	0	0	0	0	112.4	A552 N579 E594 K595	A552-A577 HydrophobicContact CB-CB 4.48Å; A577-N579 PolarHBondContact O-N 3.25Å; A577-E594 CarbonylContact O-C 3.5Å; A577-E594 VanDerWaalsContact O-CA 3.28Å; A577-E594 WeakPolarHBondContact O-CA 3.44Å; A577-E594 WeakPolarHBondContact O-CB 3.38Å; A577-K595 PolarHBondContact O-N 3.46Å
578	I	97.3	Very high	92	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	122.7	174.2	-59.1	177.9	0	0	0	109.1	S551 A555 L556 H574 S576 V581 V593	S551-I578 PolarHBondContact O-N 3.07Å; A555-I578 WeakPolarHBondContact O-CD1 3.38Å; L556-I578 HydrophobicContact CB-CD1 4.1Å; H574-I578 HydrophobicContact CB-CG1 4.36Å; S576-I578 PolarHBondContact O-N 2.96Å; I578-V581 HydrophobicContact CG2-CG2 3.88Å; I578-V593 CarbonylContact C-O 3.56Å; I578-V593 WeakPolarHBondContact CA-O 3.43Å; I578-V593 WeakPolarHBondContact CG2-O 3.38Å
579	N	97.3	Very high	92.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-37.8	-179.4	-84.8	-17.9	0	0	0	112.2	E322 V323 T536 R537 A577 V593	E322-N579 WeakPolarHBondContact CG-ND2 3.45Å; E322-N579 PolarHBondContact OE1-ND2 2.93Å; V323-N579 VanDerWaalsContact O-CB 3.28Å; V323-N579 WeakPolarHBondContact O-CB 3.38Å; V323-N579 PolarHBondContact O-ND2 3.41Å; T536-N579 CarbonylContact C-O 3.54Å; T536-N579 VanDerWaalsContact CA-O 3.3Å; T536-N579 WeakPolarHBondContact CA-O 3.41Å; R537-N579 PolarHBondContact N-O 3.02Å; A577-N579 PolarHBondContact O-N 3.25Å; N579-V593 PolarHBondContact N-O 3.36Å
580	S	98	Very high	92.3	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	147.3	-176.4	-174.4	0	0	0	0	112	V326 R537 S592 V593	V326-S580 PolarHBondContact N-OG 3.16Å; R537-S580 WeakPolarHBondContact CB-OG 3.43Å; S580-S592 WeakPolarHBondContact O-CA 3.43Å; S580-V593 PolarHBondContact N-O 2.73Å; S580-V593 PolarHBondContact O-N 2.97Å
581	V	97.9	Very high	92.6	Very high	5 Å²	5	34 Å²	34	3%	0.03	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.9	175.6	-175	0	0	0	0	108.6	R537 T539 A548 L556 I578 V590 A591	R537-V581 PolarHBondContact O-N 2.91Å; T539-V581 HydrophobicContact CG2-CB 4.43Å; T539-V581 HydrophobicContact CG2-CG1 4.08Å; A548-V581 HydrophobicContact CB-CG1 3.99Å; L556-V581 HydrophobicContact CD1-CB 4.43Å; L556-V581 HydrophobicContact CD1-CG1 3.84Å; L556-V581 HydrophobicContact CD1-CG2 3.68Å; I578-V581 HydrophobicContact CG2-CG2 3.88Å; V581-V590 HydrophobicContact CG1-CG1 3.67Å; V581-A591 CarbonylContact C-O 3.53Å; V581-A591 VanDerWaalsContact CA-O 3.28Å; V581-A591 WeakPolarHBondContact CA-O 3.27Å
582	S	97.9	Very high	93.4	Very high	10 Å²	10	29.7 Å²	29.7	7%	0.07	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.9	172.1	-173.6	0	0	0	0	109.4	F328 A591	F328-S582 WeakPolarHBondContact CE2-O 3.44Å; F328-S582 PolarHBondContact N-OG 3.42Å; S582-A591 PolarHBondContact N-O 3.43Å; S582-A591 PolarHBondContact O-N 3.45Å
583	W	97.4	Very high	95.1	Very high	11 Å²	11	18.9 Å²	18.9	4%	0.042	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	137.9	167.4	-143.7	-57.6	0	0	0	109.3	V306 R307 T539 P542 Y546 A548 V558 G587 V590	V306-W583 HydrophobicContact CG1-CH2 4.24Å; V306-W583 HydrophobicContact CG1-CZ2 3.54Å; R307-W583 WeakPolarHBondContact O-CZ2 3.49Å; T539-W583 HydrophobicContact CG2-CB 4.27Å; P542-W583 VanDerWaalsContact CD-CD1 3.49Å; P542-W583 HydrophobicContact CG-CG 4.42Å; Y546-W583 HydrophobicContact CG-CH2 4.39Å; A548-W583 HydrophobicContact CB-CE3 4.02Å; A548-W583 HydrophobicContact CB-CZ3 3.96Å; V558-W583 HydrophobicContact CG1-CH2 4.09Å; V558-W583 HydrophobicContact CG1-CZ3 4.17Å; W583-G587 PolarHBondContact NE1-O 3.49Å; W583-V590 HydrophobicContact CD2-CG2 3.42Å; W583-V590 VanDerWaalsContact CD2-CG2 3.42Å; W583-V590 HydrophobicContact CE3-CG2 3.89Å; W583-V590 HydrophobicContact CG-CG2 3.76Å; W583-V590 HydrophobicContact CH2-CG2 4.27Å; W583-V590 HydrophobicContact CZ2-CG2 3.85Å; W583-V590 HydrophobicContact CZ3-CG2 4.29Å
584	S	96.4	Very high	95.7	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.102	C	C	.	.			trans	-68.8	137.5	172.8	62.8	0	0	0	0	110.3	F328 P542 S586 G587 T588 Y589	F328-S584 VanDerWaalsContact CD2-CA 3.5Å; P542-S584 WeakPolarHBondContact CG-O 3.49Å; S584-S586 PolarHBondContact O-N 3.5Å; S584-S586 VanDerWaalsContact O-N 3.1Å; S584-S586 PolarHBondContact OG-OG 3.12Å; S584-G587 PolarHBondContact O-N 2.99Å; S584-T588 PolarHBondContact OG-N 2.84Å; S584-Y589 WeakPolarHBondContact CB-O 3.36Å; S584-Y589 PolarHBondContact N-O 3Å; S584-Y589 PolarHBondContact OG-N 2.97Å; S584-Y589 PolarHBondContact OG-O 3.4Å
585	P	94.9	Very high	95.8	Very high	59 Å²	59	20.8 Å²	20.8	38%	0.383	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.9	176.4	-30.5	36	0	0	0	115	P330 S332 P542 G587	P330-P585 WeakPolarHBondContact O-CB 3.47Å; S332-P585 VanDerWaalsContact OG-CD 3.28Å; S332-P585 WeakPolarHBondContact OG-CD 3.49Å; P542-P585 WeakPolarHBondContact CB-O 3.27Å; P585-G587 PolarHBondContact O-N 3.29Å
586	S	92.7	Very high	95.9	Very high	37 Å²	37	17.6 Å²	17.6	26%	0.259	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-9	173.5	65.1	0	0	0	0	114.2	A304 S332 S584 T588	A304-S586 VanDerWaalsContact CB-O 3.23Å; A304-S586 WeakPolarHBondContact CB-O 3.3Å; S332-S586 WeakPolarHBondContact OG-CB 3.47Å; S332-S586 PolarHBondContact OG-N 3.08Å; S332-S586 PolarHBondContact OG-OG 2.88Å; S584-S586 PolarHBondContact O-N 3.5Å; S584-S586 VanDerWaalsContact O-N 3.1Å; S584-S586 PolarHBondContact OG-OG 3.12Å; S586-T588 PolarHBondContact O-N 3.07Å; S586-T588 VanDerWaalsContact O-N 3.12Å; S586-T588 PolarHBondContact O-OG1 2.89Å; S586-T588 PolarHBondContact OG-N 3.01Å; S586-T588 PolarHBondContact OG-OG1 2.95Å
587	G	93	Very high	95.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	73.1	-4.6	-177.1	0	0	0	0	0	114.8	R307 W583 S584 P585	R307-G587 PolarHBondContact N-O 3.41Å; W583-G587 PolarHBondContact NE1-O 3.49Å; S584-G587 PolarHBondContact O-N 2.99Å; P585-G587 PolarHBondContact O-N 3.29Å
588	T	93.4	Very high	95.9	Very high	34 Å²	34	21 Å²	21	21%	0.209	11%	0.113	C	C	.	.	S	Bend	trans	-80.1	-43.3	-171.5	-55.3	0	0	0	0	112.6	S584 S586 S603 M605	S584-T588 PolarHBondContact OG-N 2.84Å; S586-T588 PolarHBondContact O-N 3.07Å; S586-T588 VanDerWaalsContact O-N 3.12Å; S586-T588 PolarHBondContact O-OG1 2.89Å; S586-T588 PolarHBondContact OG-N 3.01Å; S586-T588 PolarHBondContact OG-OG1 2.95Å; T588-S603 PolarHBondContact O-OG 3.42Å; T588-S603 VanDerWaalsContact O-OG 3.12Å; T588-M605 HydrophobicContact CG2-CE 3.77Å
589	Y	95.7	Very high	95.9	Very high	30 Å²	30	21 Å²	21	12%	0.118	11%	0.114	C	C	.	.			trans	-118.4	149.9	-174.8	-53.6	-74.1	0	0	0	112.7	L313 V349 G352 S584 L601 W602 M605	L313-Y589 HydrophobicContact CD1-CD1 4.22Å; L313-Y589 HydrophobicContact CD1-CE1 3.81Å; V349-Y589 HydrophobicContact CG1-CD2 4.02Å; V349-Y589 HydrophobicContact CG1-CE2 3.77Å; G352-Y589 PolarHBondContact N-OH 3.44Å; S584-Y589 WeakPolarHBondContact CB-O 3.36Å; S584-Y589 PolarHBondContact N-O 3Å; S584-Y589 PolarHBondContact OG-N 2.97Å; S584-Y589 PolarHBondContact OG-O 3.4Å; Y589-L601 HydrophobicContact CD1-CD1 4.37Å; Y589-L601 HydrophobicContact CD1-CD2 3.88Å; Y589-L601 HydrophobicContact CD1-CG 4.05Å; Y589-L601 HydrophobicContact CE1-CD2 4.19Å; Y589-L601 HydrophobicContact CG-CD1 4.19Å; Y589-L601 HydrophobicContact CG-CD2 4.33Å; Y589-L601 HydrophobicContact CG-CG 4.37Å; Y589-W602 WeakPolarHBondContact CA-O 3.39Å; Y589-M605 HydrophobicContact CD1-CE 4.44Å; Y589-M605 HydrophobicContact CE1-CE 3.43Å; Y589-M605 VanDerWaalsContact CE1-CE 3.43Å; Y589-M605 WeakPolarHBondContact OH-CE 3.41Å
590	V	97.3	Very high	95.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137	164.7	179.7	0	0	0	0	108.3	P309 L556 V581 W583 W602	P309-V590 HydrophobicContact CB-CG2 4.44Å; P309-V590 HydrophobicContact CG-CB 4.11Å; P309-V590 HydrophobicContact CG-CG2 3.74Å; L556-V590 HydrophobicContact CD2-CG1 3.98Å; V581-V590 HydrophobicContact CG1-CG1 3.67Å; W583-V590 HydrophobicContact CD2-CG2 3.42Å; W583-V590 VanDerWaalsContact CD2-CG2 3.42Å; W583-V590 HydrophobicContact CE3-CG2 3.89Å; W583-V590 HydrophobicContact CG-CG2 3.76Å; W583-V590 HydrophobicContact CH2-CG2 4.27Å; W583-V590 HydrophobicContact CZ2-CG2 3.85Å; W583-V590 HydrophobicContact CZ3-CG2 4.29Å; V590-W602 HydrophobicContact CB-CB 4.36Å; V590-W602 PolarHBondContact N-O 2.99Å; V590-W602 VanDerWaalsContact O-CD1 3.32Å; V590-W602 PolarHBondContact O-N 2.87Å
591	A	97.8	Very high	95.8	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.008	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.8	175.2	0	0	0	0	0	109.9	V326 F328 L335 V581 S582 I600 L601	V326-A591 HydrophobicContact CG2-CB 3.92Å; F328-A591 HydrophobicContact CE2-CB 3.55Å; F328-A591 HydrophobicContact CZ-CB 3.87Å; L335-A591 HydrophobicContact CD1-CB 3.72Å; L335-A591 HydrophobicContact CD2-CB 4.01Å; V581-A591 CarbonylContact C-O 3.53Å; V581-A591 VanDerWaalsContact CA-O 3.28Å; V581-A591 WeakPolarHBondContact CA-O 3.27Å; S582-A591 PolarHBondContact N-O 3.43Å; S582-A591 PolarHBondContact O-N 3.45Å; A591-I600 CarbonylContact C-O 3.56Å; A591-I600 VanDerWaalsContact CA-O 3.3Å; A591-I600 WeakPolarHBondContact CA-O 3.49Å; A591-L601 HydrophobicContact CB-CD1 4.4Å
592	S	97.8	Very high	95.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.4	171.4	61.9	0	0	0	0	110.9	H574 S580 A599 I600 W602	H574-S592 PolarHBondContact NE2-OG 2.9Å; S580-S592 WeakPolarHBondContact O-CA 3.43Å; S592-A599 CarbonylContact O-C 3.57Å; S592-A599 WeakPolarHBondContact O-CA 3.5Å; S592-I600 PolarHBondContact N-O 3.01Å; S592-I600 PolarHBondContact O-N 3.38Å; S592-W602 PolarHBondContact OG-NE1 2.98Å
593	V	97.7	Very high	95.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.7	178.9	-60.2	0	0	0	0	110.6	V323 V326 T337 I578 N579 S580 A599	V323-V593 HydrophobicContact CB-CB 3.82Å; V323-V593 HydrophobicContact CB-CG2 4.13Å; V323-V593 HydrophobicContact CG1-CB 3.58Å; V323-V593 HydrophobicContact CG1-CG1 3.86Å; V323-V593 HydrophobicContact CG1-CG2 3.72Å; V326-V593 HydrophobicContact CB-CB 4.46Å; V326-V593 HydrophobicContact CB-CG1 3.64Å; V326-V593 HydrophobicContact CB-CG2 3.94Å; V326-V593 HydrophobicContact CG1-CB 4.5Å; V326-V593 HydrophobicContact CG1-CG1 3.97Å; V326-V593 HydrophobicContact CG1-CG2 3.85Å; V326-V593 HydrophobicContact CG2-CG1 4.05Å; T337-V593 HydrophobicContact CG2-CG1 4.21Å; I578-V593 CarbonylContact C-O 3.56Å; I578-V593 WeakPolarHBondContact CA-O 3.43Å; I578-V593 WeakPolarHBondContact CG2-O 3.38Å; N579-V593 PolarHBondContact N-O 3.36Å; S580-V593 PolarHBondContact N-O 2.73Å; S580-V593 PolarHBondContact O-N 2.97Å; V593-A599 HydrophobicContact CG1-CB 3.72Å
594	E	95.3	Very high	95.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	171.8	-172.8	62.1	169.5	-153.2	0	0	113.9	V323 H574 S575 S576 A577 G596 R598	V323-E594 PolarHBondContact N-O 3.3Å; V323-E594 VanDerWaalsContact N-O 3.14Å; V323-E594 VanDerWaalsContact O-O 3.12Å; H574-E594 WeakPolarHBondContact CA-OE2 3.37Å; H574-E594 HydrophobicContact CB-CB 4.47Å; H574-E594 WeakPolarHBondContact CB-OE2 3.39Å; H574-E594 IonicContact CG-OE2 3.81Å; H574-E594 WeakPolarHBondContact ND1-CB 3.46Å; H574-E594 WeakPolarHBondContact ND1-CG 3.45Å; H574-E594 IonicContact ND1-OE2 3.57Å; H574-E594 PolarHBondContact ND1-OE2 2.87Å; S575-E594 PolarHBondContact N-OE2 2.68Å; S576-E594 PolarHBondContact N-OE2 3.18Å; S576-E594 WeakPolarHBondContact OG-CB 3.47Å; S576-E594 PolarHBondContact OG-OE2 2.73Å; A577-E594 CarbonylContact O-C 3.5Å; A577-E594 VanDerWaalsContact O-CA 3.28Å; A577-E594 WeakPolarHBondContact O-CA 3.44Å; A577-E594 WeakPolarHBondContact O-CB 3.38Å; E594-G596 PolarHBondContact O-N 2.7Å; E594-G596 VanDerWaalsContact O-O 3.07Å; E594-R598 HydrophobicContact CG-CB 3.93Å; E594-R598 WeakPolarHBondContact CG-O 3.46Å; E594-R598 PolarHBondContact N-O 3.04Å; E594-R598 WeakPolarHBondContact OE1-CB 3.44Å; E594-R598 WeakPolarHBondContact OE1-CG 3.36Å
595	K	93.8	Very high	93.9	Very high	113 Å²	113	29.1 Å²	29.1	49%	0.491	15%	0.153	S	C	.	.	S	Bend	trans	-65.7	-18.7	172.4	-172.6	167.6	-174.3	-175.6	0	113.5	E322 A577	E322-K595 WeakPolarHBondContact CA-O 3.42Å; E322-K595 HydrophobicContact CB-CG 4.5Å; E322-K595 VanDerWaalsContact CB-O 3.22Å; E322-K595 WeakPolarHBondContact CB-O 3.32Å; E322-K595 HydrophobicContact CG-CG 4.15Å; A577-K595 PolarHBondContact O-N 3.46Å
596	G	93.2	Very high	93.9	Very high	22 Å²	22	27.6 Å²	27.6	23%	0.227	14%	0.142	C	C	.	.	S	Bend	trans	-76.4	-155.7	164.4	0	0	0	0	0	112.3	G321 E322 V323 S576 E594	G321-G596 CarbonylContact C-O 3.6Å; E322-G596 VanDerWaalsContact CA-O 3.3Å; E322-G596 WeakPolarHBondContact CA-O 3.3Å; V323-G596 PolarHBondContact N-O 2.98Å; S576-G596 PolarHBondContact OG-N 3.24Å; E594-G596 PolarHBondContact O-N 2.7Å; E594-G596 VanDerWaalsContact O-O 3.07Å
597	S	93.9	Very high	94	Very high	25 Å²	25	27.1 Å²	27.1	18%	0.175	14%	0.136	C	C	.	.	S	Bend	trans	-85.7	-14	178.8	49.4	0	0	0	0	113.8	A318 H319	A318-S597 PolarHBondContact N-O 3.41Å; H319-S597 PolarHBondContact N-O 3.19Å; H319-S597 WeakPolarHBondContact O-CA 3.46Å; H319-S597 WeakPolarHBondContact O-CB 3.26Å
598	R	95.5	Very high	94	Very high	88 Å²	88	28.6 Å²	28.6	33%	0.332	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	146.5	-161.1	-58.3	178.2	-176.6	176.1	2.7	113.9	F316 N573 E594	F316-R598 WeakPolarHBondContact O-CA 3.42Å; N573-R598 PolarHBondContact O-NH1 3.47Å; E594-R598 HydrophobicContact CG-CB 3.93Å; E594-R598 WeakPolarHBondContact CG-O 3.46Å; E594-R598 PolarHBondContact N-O 3.04Å; E594-R598 WeakPolarHBondContact OE1-CB 3.44Å; E594-R598 WeakPolarHBondContact OE1-CG 3.36Å
599	A	97.1	Very high	94	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.017	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146.9	162.9	0	0	0	0	0	109.4	F316 A318 S592 V593	F316-A599 HydrophobicContact CD1-CB 4.4Å; F316-A599 WeakPolarHBondContact CD1-O 3.3Å; F316-A599 HydrophobicContact CD2-CB 4.3Å; F316-A599 HydrophobicContact CE1-CB 3.8Å; F316-A599 HydrophobicContact CE2-CB 3.7Å; F316-A599 HydrophobicContact CZ-CB 3.42Å; F316-A599 VanDerWaalsContact CZ-CB 3.42Å; F316-A599 PolarHBondContact N-O 3.26Å; F316-A599 PolarHBondContact O-N 3.06Å; A318-A599 HydrophobicContact CB-CB 3.72Å; S592-A599 CarbonylContact O-C 3.57Å; S592-A599 WeakPolarHBondContact O-CA 3.5Å; V593-A599 HydrophobicContact CG1-CB 3.72Å
600	I	97	Very high	93.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.8	179.2	-54.6	-176.3	0	0	0	109.3	A312 H314 V315 N573 H574 A591 S592 W602	A312-I600 HydrophobicContact CB-CG2 3.74Å; H314-I600 WeakPolarHBondContact O-CA 3.29Å; V315-I600 HydrophobicContact CB-CG1 4.46Å; V315-I600 HydrophobicContact CG1-CD1 4.43Å; V315-I600 HydrophobicContact CG1-CG1 4.18Å; V315-I600 HydrophobicContact CG2-CD1 4.13Å; V315-I600 HydrophobicContact CG2-CG1 4.08Å; V315-I600 HydrophobicContact CG2-CG2 4.14Å; N573-I600 HydrophobicContact CB-CD1 3.31Å; H574-I600 WeakPolarHBondContact NE2-CD1 3.32Å; A591-I600 CarbonylContact C-O 3.56Å; A591-I600 VanDerWaalsContact CA-O 3.3Å; A591-I600 WeakPolarHBondContact CA-O 3.49Å; S592-I600 PolarHBondContact N-O 3.01Å; S592-I600 PolarHBondContact O-N 3.38Å; I600-W602 HydrophobicContact CB-CZ2 4.06Å; I600-W602 HydrophobicContact CD1-CH2 4.46Å; I600-W602 HydrophobicContact CD1-CZ2 3.91Å; I600-W602 HydrophobicContact CG2-CD2 3.83Å; I600-W602 HydrophobicContact CG2-CE3 4.44Å; I600-W602 HydrophobicContact CG2-CG 4.22Å; I600-W602 HydrophobicContact CG2-CH2 4.3Å; I600-W602 HydrophobicContact CG2-CZ2 3.65Å
601	L	97	Very high	93.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123.5	168.8	-166.8	73.6	0	0	0	109.2	L313 H314 F328 V349 Y589 A591	L313-L601 PolarHBondContact N-O 3.26Å; H314-L601 HydrophobicContact CB-CB 4.3Å; H314-L601 PolarHBondContact N-O 3.01Å; H314-L601 PolarHBondContact O-N 2.98Å; F328-L601 HydrophobicContact CE1-CD1 4.32Å; F328-L601 HydrophobicContact CZ-CD1 3.7Å; V349-L601 HydrophobicContact CG1-CD2 3.88Å; Y589-L601 HydrophobicContact CD1-CD1 4.37Å; Y589-L601 HydrophobicContact CD1-CD2 3.88Å; Y589-L601 HydrophobicContact CD1-CG 4.05Å; Y589-L601 HydrophobicContact CE1-CD2 4.19Å; Y589-L601 HydrophobicContact CG-CD1 4.19Å; Y589-L601 HydrophobicContact CG-CD2 4.33Å; Y589-L601 HydrophobicContact CG-CG 4.37Å; A591-L601 HydrophobicContact CB-CD1 4.4Å
602	W	95.8	Very high	93.4	Very high	7 Å²	7	32.1 Å²	32.1	3%	0.027	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.7	-179.7	-47.5	83.5	0	0	0	110.7	P309 T311 A312 L556 L570 N573 Y589 V590 S592 I600	P309-W602 HydrophobicContact CB-CB 3.64Å; P309-W602 HydrophobicContact CG-CB 4.45Å; T311-W602 VanDerWaalsContact O-CA 3.29Å; T311-W602 WeakPolarHBondContact O-CA 3.33Å; A312-W602 HydrophobicContact CB-CD2 4.41Å; A312-W602 HydrophobicContact CB-CE3 3.81Å; A312-W602 HydrophobicContact CB-CH2 4.36Å; A312-W602 HydrophobicContact CB-CZ3 3.78Å; L556-W602 HydrophobicContact CD2-CD2 4.26Å; L556-W602 HydrophobicContact CD2-CG 4.12Å; L570-W602 HydrophobicContact CB-CE3 4.15Å; L570-W602 HydrophobicContact CB-CH2 4.16Å; L570-W602 HydrophobicContact CB-CZ3 3.8Å; L570-W602 HydrophobicContact CD1-CD2 4.24Å; L570-W602 HydrophobicContact CD1-CE3 3.95Å; L570-W602 HydrophobicContact CD1-CZ3 4.45Å; L570-W602 HydrophobicContact CG-CE3 4.47Å; N573-W602 HydrophobicContact CB-CH2 4.11Å; Y589-W602 WeakPolarHBondContact CA-O 3.39Å; V590-W602 HydrophobicContact CB-CB 4.36Å; V590-W602 PolarHBondContact N-O 2.99Å; V590-W602 VanDerWaalsContact O-CD1 3.32Å; V590-W602 PolarHBondContact O-N 2.87Å; S592-W602 PolarHBondContact OG-NE1 2.98Å; I600-W602 HydrophobicContact CB-CZ2 4.06Å; I600-W602 HydrophobicContact CD1-CH2 4.46Å; I600-W602 HydrophobicContact CD1-CZ2 3.91Å; I600-W602 HydrophobicContact CG2-CD2 3.83Å; I600-W602 HydrophobicContact CG2-CE3 4.44Å; I600-W602 HydrophobicContact CG2-CG 4.22Å; I600-W602 HydrophobicContact CG2-CH2 4.3Å; I600-W602 HydrophobicContact CG2-CZ2 3.65Å
603	S	93.6	Very high	93.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	176.7	175.2	-157.7	0	0	0	0	109.6	T310 T311 T588 M605	T310-S603 PolarHBondContact N-O 3Å; T311-S603 PolarHBondContact N-O 3.32Å; T311-S603 PolarHBondContact O-N 3.13Å; T311-S603 PolarHBondContact OG1-O 2.65Å; T588-S603 PolarHBondContact O-OG 3.42Å; T588-S603 VanDerWaalsContact O-OG 3.12Å; S603-M605 WeakPolarHBondContact OG-CE 3.48Å
604	D	87.6	Confident	92.7	Very high	58 Å²	58	37.5 Å²	37.5	31%	0.31	19%	0.187	S	C	.	.			trans	-92.7	-0.5	168	68.4	-30.2	0	0	0	114.4	R307 T310	R307-D604 HydrophobicContact CB-CB 4.39Å; R307-D604 WeakPolarHBondContact CB-OD2 3.16Å; R307-D604 WeakPolarHBondContact CD-OD1 3.4Å; R307-D604 VanDerWaalsContact CD-OD2 3.24Å; R307-D604 WeakPolarHBondContact CD-OD2 3.33Å; R307-D604 WeakPolarHBondContact CG-OD2 3.37Å; R307-D604 IonicContact NE-OD2 3.46Å; R307-D604 IonicContact NH1-OD1 3.49Å; R307-D604 IonicContact NH1-OD2 3.4Å; T310-D604 WeakPolarHBondContact OG1-CA 3.48Å
605	M	72.9	Confident	92.5	Very high	133 Å²	133	40.8 Å²	40.8	66%	0.655	20%	0.204	S	C	*	.			trans	-80.1	0	-172.3	-70.1	-170	-74.8	0	0	114.5	T311 L313 T588 Y589 S603	T311-M605 PolarHBondContact OG1-O 3.48Å; L313-M605 HydrophobicContact CD1-CE 4.24Å; L313-M605 WeakPolarHBondContact CD2-O 3.41Å; T588-M605 HydrophobicContact CG2-CE 3.77Å; Y589-M605 HydrophobicContact CD1-CE 4.44Å; Y589-M605 HydrophobicContact CE1-CE 3.43Å; Y589-M605 VanDerWaalsContact CE1-CE 3.43Å; Y589-M605 WeakPolarHBondContact OH-CE 3.41Å; S603-M605 WeakPolarHBondContact OG-CE 3.48Å

Retrieved 605 of 605 residues in 2172.7 ms (Link to these results)

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