A0A087Y3L6_POEFO Loading...

Fibulin-1

Incorporated into fibronectin-containing matrix fibers. May play a role in cell adhesion and migration along protein fibers within the extracellular matrix (ECM). Could be important for certain developmental processes and contribute to the supramolecular organization of ECM architecture, in particular to those of basement membranes.

AlphaFold DB , UniProt , Accession A0A087Y3L6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 668 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	67.1	Low	78.4	Confident	98 Å²	98	72.4 Å²	72.4	81%	0.81	40%	0.396	S	S	*	.				0	-83.8	0	0	0	0	0	0	110.3	D3 D4 C5	A1-D3 VanDerWaalsContact C-N 3.32Å; A1-D3 PolarHBondContact O-N 3.06Å; A1-D4 WeakPolarHBondContact CA-OD2 3.49Å; A1-D4 PolarHBondContact N-OD2 2.95Å; A1-D4 PolarHBondContact O-N 3.01Å; A1-C5 PolarHBondContact O-N 3.43Å; A1-C5 VanDerWaalsContact O-N 3.1Å; A1-C5 PolarHBondContact O-SG 3.01Å
2	V	75.5	Confident	78.1	Confident	72 Å²	72	69.3 Å²	69.3	44%	0.436	38%	0.377	S	S	.	.	H	α-helix	trans	-59.4	-41.9	178.9	-179.1	0	0	0	0	111.6	D4 C5 C6 T30 A34	V2-D4 PolarHBondContact O-N 2.83Å; V2-C5 VanDerWaalsContact O-CB 3.29Å; V2-C5 WeakPolarHBondContact O-CB 3.37Å; V2-C5 PolarHBondContact O-N 2.86Å; V2-C6 PolarHBondContact O-N 3.49Å; V2-T30 HydrophobicContact CG2-CG2 4.44Å; V2-A34 HydrophobicContact CG1-CB 3.69Å
3	D	79.2	Confident	77.5	Confident	111 Å²	111	63.9 Å²	63.9	59%	0.594	35%	0.348	S	S	*	.	H	α-helix	trans	-57.4	-34.4	175.4	-54.3	13	0	0	0	113	A1 C6 K7	A1-D3 VanDerWaalsContact C-N 3.32Å; A1-D3 PolarHBondContact O-N 3.06Å; D3-C6 PolarHBondContact O-N 2.75Å; D3-K7 WeakPolarHBondContact O-CB 3.41Å; D3-K7 WeakPolarHBondContact O-CG 3.42Å; D3-K7 PolarHBondContact O-N 3.46Å
4	D	78.8	Confident	77.3	Confident	88 Å²	88	66.8 Å²	66.8	47%	0.471	36%	0.363	S	S	.	.	H	α-helix	trans	-81.5	-31.2	-177.4	-46.9	-57.5	0	0	0	110.9	A1 V2 K7 N8	A1-D4 WeakPolarHBondContact CA-OD2 3.49Å; A1-D4 PolarHBondContact N-OD2 2.95Å; A1-D4 PolarHBondContact O-N 3.01Å; V2-D4 PolarHBondContact O-N 2.83Å; D4-K7 IonicContact OD1-NZ 2.67Å; D4-K7 PolarHBondContact OD1-NZ 2.93Å; D4-N8 WeakPolarHBondContact O-CB 3.37Å; D4-N8 PolarHBondContact O-N 3.29Å; D4-N8 VanDerWaalsContact O-N 3.16Å
5	C	79.8	Confident	77.1	Confident	19 Å²	19	68.7 Å²	68.7	13%	0.128	37%	0.372	C	S	.	.	H	α-helix	trans	-60.4	-51.3	163.8	-56.3	0	0	0	0	110.2	A1 V2 K7 N8 G9 C31 A34 Q35	A1-C5 PolarHBondContact O-N 3.43Å; A1-C5 VanDerWaalsContact O-N 3.1Å; A1-C5 PolarHBondContact O-SG 3.01Å; V2-C5 VanDerWaalsContact O-CB 3.29Å; V2-C5 WeakPolarHBondContact O-CB 3.37Å; V2-C5 PolarHBondContact O-N 2.86Å; C5-K7 PolarHBondContact O-N 2.89Å; C5-N8 WeakPolarHBondContact O-CB 3.43Å; C5-N8 PolarHBondContact O-N 2.98Å; C5-N8 VanDerWaalsContact O-N 3.12Å; C5-G9 PolarHBondContact O-N 2.04Å; C5-C31 HydrophobicContact CB-CB 4.02Å; C5-C31 WeakPolarHBondContact CB-SG 3.06Å; C5-C31 WeakPolarHBondContact SG-CB 3.44Å; C5-C31 CovalentContact SG-SG 2.04Å; C5-C31 PolarHBondContact SG-SG 3.48Å; C5-A34 HydrophobicContact CB-CB 4.47Å; C5-Q35 HydrophobicContact CB-CG 3.97Å; C5-Q35 WeakPolarHBondContact O-CG 3.48Å
6	C	81.4	Confident	76.1	Confident	26 Å²	26	72.9 Å²	72.9	18%	0.176	40%	0.395	C	S	.	.	H	α-helix	trans	-58	-50.9	178.5	179.1	0	0	0	0	112.4	V2 D3 N8 G9 Q10 C38	V2-C6 PolarHBondContact O-N 3.49Å; D3-C6 PolarHBondContact O-N 2.75Å; C6-N8 PolarHBondContact O-N 2.73Å; C6-G9 PolarHBondContact O-N 3.12Å; C6-Q10 WeakPolarHBondContact O-CG 3.34Å; C6-Q10 PolarHBondContact O-N 2.84Å; C6-C38 HydrophobicContact CB-CB 3.91Å; C6-C38 WeakPolarHBondContact CB-SG 3.31Å; C6-C38 WeakPolarHBondContact SG-CB 3.44Å; C6-C38 CovalentContact SG-SG 2.04Å; C6-C38 PolarHBondContact SG-SG 2.77Å
7	K	83.1	Confident	75.5	Confident	115 Å²	115	72.9 Å²	72.9	50%	0.5	39%	0.394	S	S	.	.	H	α-helix	trans	-54.8	-34.8	175	-72.4	165	-160.4	159.3	0	113	D3 D4 C5 K11	D3-K7 WeakPolarHBondContact O-CB 3.41Å; D3-K7 WeakPolarHBondContact O-CG 3.42Å; D3-K7 PolarHBondContact O-N 3.46Å; D4-K7 IonicContact OD1-NZ 2.67Å; D4-K7 PolarHBondContact OD1-NZ 2.93Å; C5-K7 PolarHBondContact O-N 2.89Å; K7-K11 PolarHBondContact O-N 3.31Å
8	N	78.9	Confident	74.8	Confident	58 Å²	58	72.9 Å²	72.9	31%	0.31	39%	0.394	S	S	.	.	H	α-helix	trans	-71.2	-42.2	177.5	-167.3	-82.5	0	0	0	111.8	D4 C5 C6 K11 H12 I25 Q35	D4-N8 WeakPolarHBondContact O-CB 3.37Å; D4-N8 PolarHBondContact O-N 3.29Å; D4-N8 VanDerWaalsContact O-N 3.16Å; C5-N8 WeakPolarHBondContact O-CB 3.43Å; C5-N8 PolarHBondContact O-N 2.98Å; C5-N8 VanDerWaalsContact O-N 3.12Å; C6-N8 PolarHBondContact O-N 2.73Å; N8-K11 PolarHBondContact O-N 2.64Å; N8-H12 PolarHBondContact O-N 3.04Å; N8-I25 HydrophobicContact CB-CD1 4.35Å; N8-I25 VanDerWaalsContact ND2-CD1 3.33Å; N8-I25 WeakPolarHBondContact ND2-CD1 3.33Å; N8-I25 WeakPolarHBondContact OD1-CD1 2.86Å; N8-Q35 PolarHBondContact OD1-NE2 2.96Å
9	G	76.7	Confident	74.4	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-59.1	-45.1	171	0	0	0	0	0	112.6	C5 C6 K11 H12 A13 C39	C5-G9 PolarHBondContact O-N 2.04Å; C6-G9 PolarHBondContact O-N 3.12Å; G9-K11 VanDerWaalsContact C-N 3.32Å; G9-K11 PolarHBondContact O-N 2.93Å; G9-H12 PolarHBondContact O-N 3.23Å; G9-A13 PolarHBondContact O-N 2.76Å; G9-C39 WeakPolarHBondContact O-CA 3.34Å; G9-C39 WeakPolarHBondContact O-CB 3.48Å
10	Q	81	Confident	73.9	Confident	78 Å²	78	71.1 Å²	71.1	36%	0.364	40%	0.399	S	S	.	.	H	α-helix	trans	-58.3	-41.3	174.3	-65.8	176.5	-31.7	0	0	112.2	C6 N14 C38 V42	C6-Q10 WeakPolarHBondContact O-CG 3.34Å; C6-Q10 PolarHBondContact O-N 2.84Å; Q10-N14 PolarHBondContact O-N 2.87Å; Q10-N14 VanDerWaalsContact O-N 3.1Å; Q10-N14 PolarHBondContact O-ND2 3.39Å; Q10-C38 HydrophobicContact CG-CB 4.02Å; Q10-V42 HydrophobicContact CB-CG2 4.04Å; Q10-V42 HydrophobicContact CG-CG2 3.79Å
11	K	80.5	Confident	73.2	Confident	131 Å²	131	71.5 Å²	71.5	57%	0.57	41%	0.407	S	S	*	.	H	α-helix	trans	-64.2	-46.1	175.8	-172.4	-177.9	174.6	-174	0	111.6	K7 N8 G9 A13 N14 D15	K7-K11 PolarHBondContact O-N 3.31Å; N8-K11 PolarHBondContact O-N 2.64Å; G9-K11 VanDerWaalsContact C-N 3.32Å; G9-K11 PolarHBondContact O-N 2.93Å; K11-A13 VanDerWaalsContact C-N 3.26Å; K11-A13 PolarHBondContact O-N 2.97Å; K11-N14 PolarHBondContact O-N 3.39Å; K11-N14 VanDerWaalsContact O-N 3.07Å; K11-D15 PolarHBondContact O-N 2.81Å
12	H	75.1	Confident	72.9	Confident	35 Å²	35	68.1 Å²	68.1	16%	0.162	38%	0.375	C	S	.	.	H	α-helix	trans	-61.8	-34.8	-178.9	-163.7	67.6	0	0	0	112.7	N8 G9 D15 N17 L22	N8-H12 PolarHBondContact O-N 3.04Å; G9-H12 PolarHBondContact O-N 3.23Å; H12-D15 PolarHBondContact O-N 2.87Å; H12-N17 WeakPolarHBondContact NE2-CB 3.42Å; H12-N17 PolarHBondContact O-N 2.95Å; H12-L22 HydrophobicContact CB-CD2 3.92Å; H12-L22 WeakPolarHBondContact CD2-CD2 3.42Å
13	A	71	Confident	72.1	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-67.2	-40.5	171.5	0	0	0	0	0	113.2	G9 K11 D15 N16 C39 V42 L43	G9-A13 PolarHBondContact O-N 2.76Å; K11-A13 VanDerWaalsContact C-N 3.26Å; K11-A13 PolarHBondContact O-N 2.97Å; A13-D15 VanDerWaalsContact C-N 3.28Å; A13-D15 PolarHBondContact O-N 2.7Å; A13-N16 WeakPolarHBondContact O-CA 3.29Å; A13-N16 PolarHBondContact O-N 2.04Å; A13-C39 VanDerWaalsContact CB-O 3.31Å; A13-C39 WeakPolarHBondContact CB-O 3.31Å; A13-V42 HydrophobicContact CB-CB 3.76Å; A13-V42 HydrophobicContact CB-CG1 3.72Å; A13-L43 HydrophobicContact CB-CD2 3.9Å; A13-L43 HydrophobicContact CB-CG 3.85Å; A13-L43 VanDerWaalsContact O-CD2 3.31Å; A13-L43 WeakPolarHBondContact O-CD2 3.46Å
14	N	74.7	Confident	70.8	Confident	104 Å²	104	69.8 Å²	69.8	56%	0.556	39%	0.385	S	S	*	.	H	α-helix	trans	-67.3	-28.2	174.6	-75.2	-24.3	0	0	0	113	Q10 K11 N16 V42 N46	Q10-N14 PolarHBondContact O-N 2.87Å; Q10-N14 VanDerWaalsContact O-N 3.1Å; Q10-N14 PolarHBondContact O-ND2 3.39Å; K11-N14 PolarHBondContact O-N 3.39Å; K11-N14 VanDerWaalsContact O-N 3.07Å; N14-N16 PolarHBondContact O-N 3.49Å; N14-V42 VanDerWaalsContact OD1-CG1 3.23Å; N14-V42 WeakPolarHBondContact OD1-CG1 3.23Å; N14-N46 PolarHBondContact OD1-ND2 2.94Å
15	D	73.2	Confident	69.7	Low	95 Å²	95	70.5 Å²	70.5	51%	0.508	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	6.6	169.2	-61.7	-34.2	0	0	0	112.3	K11 H12 A13 N17	K11-D15 PolarHBondContact O-N 2.81Å; H12-D15 PolarHBondContact O-N 2.87Å; A13-D15 VanDerWaalsContact C-N 3.28Å; A13-D15 PolarHBondContact O-N 2.7Å; D15-N17 VanDerWaalsContact C-N 3.3Å; D15-N17 VanDerWaalsContact CB-ND2 3.29Å; D15-N17 WeakPolarHBondContact CB-ND2 3.03Å; D15-N17 PolarHBondContact O-N 3.33Å; D15-N17 PolarHBondContact O-ND2 3.28Å
16	N	62.1	Low	68.6	Low	136 Å²	136	72 Å²	72	73%	0.727	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	26.1	175.4	-136.7	18.9	0	0	0	115.6	A13 N14	A13-N16 WeakPolarHBondContact O-CA 3.29Å; A13-N16 PolarHBondContact O-N 2.04Å; N14-N16 PolarHBondContact O-N 3.49Å
17	N	64.6	Low	67.5	Low	73 Å²	73	77 Å²	77	39%	0.39	43%	0.433	S	S	.	.			trans	-89.3	159.2	-179	-65.7	-75.6	0	0	0	112.8	H12 D15 C19	H12-N17 WeakPolarHBondContact NE2-CB 3.42Å; H12-N17 PolarHBondContact O-N 2.95Å; D15-N17 VanDerWaalsContact C-N 3.3Å; D15-N17 VanDerWaalsContact CB-ND2 3.29Å; D15-N17 WeakPolarHBondContact CB-ND2 3.03Å; D15-N17 PolarHBondContact O-N 3.33Å; D15-N17 PolarHBondContact O-ND2 3.28Å; N17-C19 PolarHBondContact O-N 2.76Å
18	D	63.5	Low	67	Low	74 Å²	74	74 Å²	74	40%	0.396	43%	0.427	S	S	.	.			trans	-81.1	116	-176.4	-164.3	55	0	0	0	112.4	A20 S21 K72	D18-A20 PolarHBondContact O-N 3.19Å; D18-S21 PolarHBondContact O-N 2.98Å; D18-S21 PolarHBondContact O-OG 2.73Å; D18-K72 IonicContact OD1-NZ 3.95Å; D18-K72 PolarHBondContact OD1-NZ 2.8Å
19	C	68.1	Low	66.8	Low	13 Å²	13	76.6 Å²	76.6	9%	0.088	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-59.8	-14.2	-174.3	-58.6	0	0	0	0	114.9	N17 S21 L22 C39 V40 L43	N17-C19 PolarHBondContact O-N 2.76Å; C19-S21 PolarHBondContact O-N 3.09Å; C19-L22 VanDerWaalsContact O-CD1 3.3Å; C19-L22 WeakPolarHBondContact O-CD1 3.5Å; C19-L22 WeakPolarHBondContact O-CG 3.08Å; C19-C39 VanDerWaalsContact CA-SG 3.6Å; C19-C39 HydrophobicContact CB-CB 3.81Å; C19-C39 WeakPolarHBondContact CB-SG 3.38Å; C19-C39 WeakPolarHBondContact SG-CB 3.33Å; C19-C39 CovalentContact SG-SG 2.04Å; C19-C39 PolarHBondContact SG-SG 3.07Å; C19-V40 HydrophobicContact CB-CG2 4.14Å; C19-L43 WeakPolarHBondContact SG-CD1 3.49Å
20	A	63.3	Low	66.8	Low	95 Å²	95	80.9 Å²	80.9	79%	0.785	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-71.5	-10.8	172.6	0	0	0	0	0	113.5	D18	D18-A20 PolarHBondContact O-N 3.19Å
21	S	60.3	Low	66.7	Low	81 Å²	81	77.5 Å²	77.5	57%	0.566	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-116	21.7	-173.9	66.2	0	0	0	0	114.8	D18 C19	D18-S21 PolarHBondContact O-N 2.98Å; D18-S21 PolarHBondContact O-OG 2.73Å; C19-S21 PolarHBondContact O-N 3.09Å
22	L	60.3	Low	66.5	Low	27 Å²	27	75.9 Å²	75.9	14%	0.141	44%	0.44	C	S	.	.			trans	-57.6	125.8	-177.3	-77.8	161.6	0	0	0	112.9	H12 C19 Q35 E36 C39	H12-L22 HydrophobicContact CB-CD2 3.92Å; H12-L22 WeakPolarHBondContact CD2-CD2 3.42Å; C19-L22 VanDerWaalsContact O-CD1 3.3Å; C19-L22 WeakPolarHBondContact O-CD1 3.5Å; C19-L22 WeakPolarHBondContact O-CG 3.08Å; L22-Q35 HydrophobicContact CD1-CB 4.13Å; L22-E36 HydrophobicContact CD1-CB 4.46Å; L22-E36 HydrophobicContact CD1-CG 3.97Å; L22-C39 HydrophobicContact CD1-CB 4.24Å
23	P	59.4	Low	66.6	Low	76 Å²	76	77.3 Å²	77.3	49%	0.494	45%	0.448	S	S	.	.			trans	-71	143.2	178.6	28.4	-34.3	0	0	0	112	I25	P23-I25 PolarHBondContact O-N 3.29Å
24	L	51.5	Low	67.1	Low	142 Å²	142	78 Å²	78	74%	0.743	45%	0.453	S	S	*	.			trans	-70	109.5	-177.8	-69.4	171	0	0	0	112.1
25	I	55.4	Low	67.2	Low	102 Å²	102	73.2 Å²	73.2	52%	0.523	43%	0.428	S	S	.	.	S	Bend	trans	-98.6	-19.2	173.9	-50	-171.3	0	0	0	111.6	N8 P23	N8-I25 HydrophobicContact CB-CD1 4.35Å; N8-I25 VanDerWaalsContact ND2-CD1 3.33Å; N8-I25 WeakPolarHBondContact ND2-CD1 3.33Å; N8-I25 WeakPolarHBondContact OD1-CD1 2.86Å; P23-I25 PolarHBondContact O-N 3.29Å
26	S	55.5	Low	67.4	Low	50 Å²	50	72.2 Å²	72.2	35%	0.35	42%	0.42	S	S	.	.			trans	-147.7	151.1	176.1	-170.9	0	0	0	0	111	S28	S26-S28 PolarHBondContact O-N 3.46Å; S26-S28 PolarHBondContact OG-N 3.07Å
27	S	59.3	Low	68.2	Low	132 Å²	132	72.1 Å²	72.1	92%	0.923	42%	0.415	S	S	*	.	S	Bend	trans	-77.3	-4.9	167.3	52.4	0	0	0	0	113.4	M29	S27-M29 PolarHBondContact O-N 2.97Å
28	S	73.3	Confident	69	Low	52 Å²	52	70 Å²	70	36%	0.364	41%	0.406	S	S	.	.			trans	-74.3	116.8	178	179.5	0	0	0	0	111.8	S26 T30 C31 R32	S26-S28 PolarHBondContact O-N 3.46Å; S26-S28 PolarHBondContact OG-N 3.07Å; S28-T30 PolarHBondContact O-N 3.03Å; S28-C31 WeakPolarHBondContact O-CB 3.14Å; S28-C31 PolarHBondContact O-N 2.81Å; S28-R32 PolarHBondContact O-N 3.15Å
29	M	74.3	Confident	69.8	Low	112 Å²	112	66.5 Å²	66.5	55%	0.552	39%	0.387	S	S	*	.	H	α-helix	trans	-51.7	-40.6	173	-171.5	69.3	176.4	0	0	112.2	S27 C31 R32 I33	S27-M29 PolarHBondContact O-N 2.97Å; M29-C31 VanDerWaalsContact C-N 3.35Å; M29-C31 PolarHBondContact O-N 2.96Å; M29-R32 PolarHBondContact O-N 3.32Å; M29-I33 HydrophobicContact CE-CD1 4.23Å; M29-I33 HydrophobicContact CG-CD1 4.02Å; M29-I33 WeakPolarHBondContact O-CG1 3.46Å; M29-I33 PolarHBondContact O-N 3.43Å
30	T	77.3	Confident	70.2	Confident	90 Å²	90	69.2 Å²	69.2	55%	0.552	40%	0.403	S	S	*	.	H	α-helix	trans	-64.3	-36.3	178.5	-41.2	0	0	0	0	112.7	V2 S28 A34	V2-T30 HydrophobicContact CG2-CG2 4.44Å; S28-T30 PolarHBondContact O-N 3.03Å; T30-A34 WeakPolarHBondContact O-CB 3.05Å; T30-A34 PolarHBondContact O-N 2.95Å
31	C	79	Confident	71	Confident	8 Å²	8	67.4 Å²	67.4	5%	0.054	39%	0.385	C	S	.	.	H	α-helix	trans	-66.8	-41.9	174.8	-178.7	0	0	0	0	111.1	C5 S28 M29 A34 Q35	C5-C31 HydrophobicContact CB-CB 4.02Å; C5-C31 WeakPolarHBondContact CB-SG 3.06Å; C5-C31 WeakPolarHBondContact SG-CB 3.44Å; C5-C31 CovalentContact SG-SG 2.04Å; C5-C31 PolarHBondContact SG-SG 3.48Å; S28-C31 WeakPolarHBondContact O-CB 3.14Å; S28-C31 PolarHBondContact O-N 2.81Å; M29-C31 VanDerWaalsContact C-N 3.35Å; M29-C31 PolarHBondContact O-N 2.96Å; C31-A34 PolarHBondContact O-N 2.85Å; C31-Q35 PolarHBondContact O-N 2.81Å
32	R	74.8	Confident	71.9	Confident	96 Å²	96	64.6 Å²	64.6	36%	0.362	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-46.4	179.8	-156.1	-175.1	74.1	-143.6	-0.6	112.2	S28 M29 A34 Q35 E36	S28-R32 PolarHBondContact O-N 3.15Å; M29-R32 PolarHBondContact O-N 3.32Å; R32-A34 VanDerWaalsContact C-N 3.29Å; R32-A34 PolarHBondContact O-N 2.84Å; R32-Q35 WeakPolarHBondContact O-CB 3.46Å; R32-Q35 PolarHBondContact O-N 3.29Å; R32-Q35 VanDerWaalsContact O-N 3.13Å; R32-E36 WeakPolarHBondContact CD-OE1 3.47Å; R32-E36 VanDerWaalsContact CG-OE1 3.32Å; R32-E36 WeakPolarHBondContact CG-OE1 3.28Å; R32-E36 IonicContact CZ-OE1 3.86Å; R32-E36 IonicContact NE-OE1 2.94Å; R32-E36 PolarHBondContact NE-OE1 3.09Å; R32-E36 WeakPolarHBondContact O-CG 3.32Å; R32-E36 PolarHBondContact O-N 3.45Å
33	I	77.2	Confident	72.5	Confident	66 Å²	66	64.7 Å²	64.7	34%	0.338	37%	0.365	S	S	.	.	H	α-helix	trans	-58.5	-42.1	175.7	-65.6	165.1	0	0	0	110.8	M29 E36 Q37	M29-I33 HydrophobicContact CE-CD1 4.23Å; M29-I33 HydrophobicContact CG-CD1 4.02Å; M29-I33 WeakPolarHBondContact O-CG1 3.46Å; M29-I33 PolarHBondContact O-N 3.43Å; I33-E36 PolarHBondContact O-N 2.7Å; I33-Q37 HydrophobicContact CG2-CG 4.44Å; I33-Q37 WeakPolarHBondContact O-CB 3.38Å; I33-Q37 WeakPolarHBondContact O-CG 3.27Å; I33-Q37 PolarHBondContact O-N 2.76Å
34	A	81.5	Confident	73.1	Confident	13 Å²	13	64.7 Å²	64.7	11%	0.107	36%	0.358	C	S	.	.	H	α-helix	trans	-67.6	-35.5	176.7	0	0	0	0	0	113.2	V2 C5 T30 C31 R32 C38	V2-A34 HydrophobicContact CG1-CB 3.69Å; C5-A34 HydrophobicContact CB-CB 4.47Å; T30-A34 WeakPolarHBondContact O-CB 3.05Å; T30-A34 PolarHBondContact O-N 2.95Å; C31-A34 PolarHBondContact O-N 2.85Å; R32-A34 VanDerWaalsContact C-N 3.29Å; R32-A34 PolarHBondContact O-N 2.84Å; A34-C38 VanDerWaalsContact O-CB 3.23Å; A34-C38 WeakPolarHBondContact O-CB 3.39Å; A34-C38 PolarHBondContact O-N 3.26Å; A34-C38 VanDerWaalsContact O-N 3.09Å; A34-C38 PolarHBondContact O-SG 2.88Å
35	Q	78	Confident	74.2	Confident	5 Å²	5	61.9 Å²	61.9	2%	0.023	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-49.7	171.8	-81.3	173.1	-69.9	0	0	111.6	C5 N8 L22 C31 R32 C39	C5-Q35 HydrophobicContact CB-CG 3.97Å; C5-Q35 WeakPolarHBondContact O-CG 3.48Å; N8-Q35 PolarHBondContact OD1-NE2 2.96Å; L22-Q35 HydrophobicContact CD1-CB 4.13Å; C31-Q35 PolarHBondContact O-N 2.81Å; R32-Q35 WeakPolarHBondContact O-CB 3.46Å; R32-Q35 PolarHBondContact O-N 3.29Å; R32-Q35 VanDerWaalsContact O-N 3.13Å; Q35-C39 WeakPolarHBondContact O-CB 3.5Å; Q35-C39 PolarHBondContact O-N 3.4Å
36	E	77.8	Confident	75	Confident	73 Å²	73	60.1 Å²	60.1	34%	0.341	34%	0.336	S	S	.	.	H	α-helix	trans	-58.5	-52.1	179.9	-71.2	164	-167.7	0	0	110.8	L22 R32 I33 C39 V40	L22-E36 HydrophobicContact CD1-CB 4.46Å; L22-E36 HydrophobicContact CD1-CG 3.97Å; R32-E36 WeakPolarHBondContact CD-OE1 3.47Å; R32-E36 VanDerWaalsContact CG-OE1 3.32Å; R32-E36 WeakPolarHBondContact CG-OE1 3.28Å; R32-E36 IonicContact CZ-OE1 3.86Å; R32-E36 IonicContact NE-OE1 2.94Å; R32-E36 PolarHBondContact NE-OE1 3.09Å; R32-E36 WeakPolarHBondContact O-CG 3.32Å; R32-E36 PolarHBondContact O-N 3.45Å; I33-E36 PolarHBondContact O-N 2.7Å; E36-C39 PolarHBondContact O-N 3.31Å; E36-V40 WeakPolarHBondContact O-CG2 3.39Å; E36-V40 PolarHBondContact O-N 2.67Å
37	Q	77.9	Confident	75.8	Confident	135 Å²	135	61 Å²	61	63%	0.631	34%	0.335	S	S	*	.	H	α-helix	trans	-65.8	-43.9	-179	-71.1	-176.7	-18.3	0	0	113.1	I33 C39 V40 S41	I33-Q37 HydrophobicContact CG2-CG 4.44Å; I33-Q37 WeakPolarHBondContact O-CB 3.38Å; I33-Q37 WeakPolarHBondContact O-CG 3.27Å; I33-Q37 PolarHBondContact O-N 2.76Å; Q37-C39 VanDerWaalsContact C-N 3.32Å; Q37-C39 PolarHBondContact O-N 3.1Å; Q37-V40 PolarHBondContact O-N 3.08Å; Q37-S41 PolarHBondContact O-N 2.89Å; Q37-S41 VanDerWaalsContact O-N 3.08Å
38	C	81.1	Confident	76.6	Confident	28 Å²	28	55.5 Å²	55.5	19%	0.189	30%	0.296	C	S	.	.	H	α-helix	trans	-71.2	-26.4	178.4	-67.5	0	0	0	0	113.3	C6 Q10 A34	C6-C38 HydrophobicContact CB-CB 3.91Å; C6-C38 WeakPolarHBondContact CB-SG 3.31Å; C6-C38 WeakPolarHBondContact SG-CB 3.44Å; C6-C38 CovalentContact SG-SG 2.04Å; C6-C38 PolarHBondContact SG-SG 2.77Å; Q10-C38 HydrophobicContact CG-CB 4.02Å; A34-C38 VanDerWaalsContact O-CB 3.23Å; A34-C38 WeakPolarHBondContact O-CB 3.39Å; A34-C38 PolarHBondContact O-N 3.26Å; A34-C38 VanDerWaalsContact O-N 3.09Å; A34-C38 PolarHBondContact O-SG 2.88Å
39	C	80	Confident	76.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-69.3	-49.6	171.9	-174.9	0	0	0	0	110.9	G9 A13 C19 L22 Q35 E36 Q37 S41 V42 L43	G9-C39 WeakPolarHBondContact O-CA 3.34Å; G9-C39 WeakPolarHBondContact O-CB 3.48Å; A13-C39 VanDerWaalsContact CB-O 3.31Å; A13-C39 WeakPolarHBondContact CB-O 3.31Å; C19-C39 VanDerWaalsContact CA-SG 3.6Å; C19-C39 HydrophobicContact CB-CB 3.81Å; C19-C39 WeakPolarHBondContact CB-SG 3.38Å; C19-C39 WeakPolarHBondContact SG-CB 3.33Å; C19-C39 CovalentContact SG-SG 2.04Å; C19-C39 PolarHBondContact SG-SG 3.07Å; L22-C39 HydrophobicContact CD1-CB 4.24Å; Q35-C39 WeakPolarHBondContact O-CB 3.5Å; Q35-C39 PolarHBondContact O-N 3.4Å; E36-C39 PolarHBondContact O-N 3.31Å; Q37-C39 VanDerWaalsContact C-N 3.32Å; Q37-C39 PolarHBondContact O-N 3.1Å; C39-S41 PolarHBondContact O-N 2.91Å; C39-V42 PolarHBondContact O-N 3.04Å; C39-L43 PolarHBondContact O-N 2.98Å
40	V	77.6	Confident	76.8	Confident	71 Å²	71	54.1 Å²	54.1	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-60.1	-45.8	179.7	171.1	0	0	0	0	111.5	C19 E36 Q37 V42 L43 E44	C19-V40 HydrophobicContact CB-CG2 4.14Å; E36-V40 WeakPolarHBondContact O-CG2 3.39Å; E36-V40 PolarHBondContact O-N 2.67Å; Q37-V40 PolarHBondContact O-N 3.08Å; V40-V42 VanDerWaalsContact C-N 3.31Å; V40-V42 PolarHBondContact O-N 2.9Å; V40-L43 PolarHBondContact O-N 3.22Å; V40-E44 HydrophobicContact CG1-CG 4.23Å; V40-E44 WeakPolarHBondContact O-CG 3.35Å; V40-E44 PolarHBondContact O-N 2.82Å
41	S	80.1	Confident	76.5	Confident	57 Å²	57	49.8 Å²	49.8	40%	0.399	27%	0.268	S	S	.	.	H	α-helix	trans	-56.1	-42.9	179.8	-168	0	0	0	0	112.9	Q37 C39 E44 D45	Q37-S41 PolarHBondContact O-N 2.89Å; Q37-S41 VanDerWaalsContact O-N 3.08Å; C39-S41 PolarHBondContact O-N 2.91Å; S41-E44 PolarHBondContact O-N 2.77Å; S41-D45 PolarHBondContact O-N 3.36Å
42	V	79.3	Confident	76.3	Confident	21 Å²	21	50.9 Å²	50.9	13%	0.127	27%	0.273	C	S	.	.	H	α-helix	trans	-72.1	-37.4	-178.6	170.2	0	0	0	0	112	Q10 A13 N14 C39 V40 E44 D45 N46	Q10-V42 HydrophobicContact CB-CG2 4.04Å; Q10-V42 HydrophobicContact CG-CG2 3.79Å; A13-V42 HydrophobicContact CB-CB 3.76Å; A13-V42 HydrophobicContact CB-CG1 3.72Å; N14-V42 VanDerWaalsContact OD1-CG1 3.23Å; N14-V42 WeakPolarHBondContact OD1-CG1 3.23Å; C39-V42 PolarHBondContact O-N 3.04Å; V40-V42 VanDerWaalsContact C-N 3.31Å; V40-V42 PolarHBondContact O-N 2.9Å; V42-E44 VanDerWaalsContact C-N 3.33Å; V42-D45 PolarHBondContact O-N 2.94Å; V42-N46 WeakPolarHBondContact O-CB 3.42Å; V42-N46 VanDerWaalsContact O-CG 3.28Å; V42-N46 PolarHBondContact O-N 3.25Å; V42-N46 PolarHBondContact O-ND2 2.81Å
43	L	73.4	Confident	76.4	Confident	29 Å²	29	50.3 Å²	50.3	15%	0.152	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-42.5	171.8	-70.1	-173.8	0	0	0	111.3	A13 C19 C39 V40 N46 M47	A13-L43 HydrophobicContact CB-CD2 3.9Å; A13-L43 HydrophobicContact CB-CG 3.85Å; A13-L43 VanDerWaalsContact O-CD2 3.31Å; A13-L43 WeakPolarHBondContact O-CD2 3.46Å; C19-L43 WeakPolarHBondContact SG-CD1 3.49Å; C39-L43 PolarHBondContact O-N 2.98Å; V40-L43 PolarHBondContact O-N 3.22Å; L43-N46 PolarHBondContact O-N 2.87Å; L43-M47 WeakPolarHBondContact O-CB 3.41Å; L43-M47 VanDerWaalsContact O-CG 3.31Å; L43-M47 WeakPolarHBondContact O-CG 3.37Å; L43-M47 PolarHBondContact O-N 2.82Å
44	E	72.1	Confident	76.4	Confident	77 Å²	77	48 Å²	48	36%	0.36	27%	0.266	S	S	.	.	H	α-helix	trans	-62.2	-42.1	178.1	-75.3	-163.7	117.5	0	0	113	V40 S41 V42 M47 C48 K75	V40-E44 HydrophobicContact CG1-CG 4.23Å; V40-E44 WeakPolarHBondContact O-CG 3.35Å; V40-E44 PolarHBondContact O-N 2.82Å; S41-E44 PolarHBondContact O-N 2.77Å; V42-E44 VanDerWaalsContact C-N 3.33Å; E44-M47 PolarHBondContact O-N 3.01Å; E44-C48 WeakPolarHBondContact O-CB 3.35Å; E44-C48 PolarHBondContact O-N 2.96Å; E44-K75 HydrophobicContact CB-CD 3.82Å; E44-K75 HydrophobicContact CG-CD 3.85Å; E44-K75 VanDerWaalsContact OE1-CD 3.22Å; E44-K75 WeakPolarHBondContact OE1-CD 3.21Å; E44-K75 IonicContact OE1-NZ 2.7Å; E44-K75 PolarHBondContact OE1-NZ 2.8Å; E44-K75 IonicContact OE2-NZ 2.62Å; E44-K75 PolarHBondContact OE2-NZ 2.86Å
45	D	73.2	Confident	76.1	Confident	83 Å²	83	47.4 Å²	47.4	44%	0.444	26%	0.261	S	S	.	.	H	α-helix	trans	-68.6	-40.3	177.5	-69	-28.1	0	0	0	111.9	S41 V42 C48 S49	S41-D45 PolarHBondContact O-N 3.36Å; V42-D45 PolarHBondContact O-N 2.94Å; D45-C48 PolarHBondContact O-N 2.88Å; D45-S49 WeakPolarHBondContact O-CB 3.33Å; D45-S49 PolarHBondContact O-N 2.79Å; D45-S49 PolarHBondContact O-OG 2.86Å
46	N	73.6	Confident	75.9	Confident	65 Å²	65	50.9 Å²	50.9	35%	0.348	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-40.2	174.2	-75.1	-21.9	0	0	0	111.8	N14 V42 L43 T50	N14-N46 PolarHBondContact OD1-ND2 2.94Å; V42-N46 WeakPolarHBondContact O-CB 3.42Å; V42-N46 VanDerWaalsContact O-CG 3.28Å; V42-N46 PolarHBondContact O-N 3.25Å; V42-N46 PolarHBondContact O-ND2 2.81Å; L43-N46 PolarHBondContact O-N 2.87Å; N46-T50 PolarHBondContact O-N 2.82Å; N46-T50 PolarHBondContact O-OG1 2.99Å
47	M	71.9	Confident	75.7	Confident	67 Å²	67	54.2 Å²	54.2	33%	0.33	30%	0.296	S	S	.	.	H	α-helix	trans	-71.3	-37.9	176.8	-70.6	-163.6	79.1	0	0	112.5	L43 E44 T50 G51 K72 A76	L43-M47 WeakPolarHBondContact O-CB 3.41Å; L43-M47 VanDerWaalsContact O-CG 3.31Å; L43-M47 WeakPolarHBondContact O-CG 3.37Å; L43-M47 PolarHBondContact O-N 2.82Å; E44-M47 PolarHBondContact O-N 3.01Å; M47-T50 WeakPolarHBondContact O-CB 3.33Å; M47-T50 PolarHBondContact O-N 2.8Å; M47-G51 PolarHBondContact O-N 3.12Å; M47-K72 HydrophobicContact CE-CB 4.27Å; M47-K72 WeakPolarHBondContact CE-O 3.3Å; M47-K72 HydrophobicContact SD-CB 4.31Å; M47-A76 HydrophobicContact CB-CB 4.38Å; M47-A76 HydrophobicContact CE-CB 4.43Å; M47-A76 WeakPolarHBondContact O-CB 3.42Å
48	C	75.1	Confident	75.4	Confident	17 Å²	17	53.5 Å²	53.5	12%	0.115	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-44.6	172.8	-174.5	0	0	0	0	111.7	E44 D45 T50 G51 I52 C79	E44-C48 WeakPolarHBondContact O-CB 3.35Å; E44-C48 PolarHBondContact O-N 2.96Å; D45-C48 PolarHBondContact O-N 2.88Å; C48-T50 VanDerWaalsContact C-N 3.29Å; C48-T50 PolarHBondContact O-N 2.64Å; C48-G51 PolarHBondContact O-N 2.77Å; C48-G51 VanDerWaalsContact O-N 3.17Å; C48-I52 WeakPolarHBondContact O-CG1 3.48Å; C48-I52 PolarHBondContact O-N 2.79Å; C48-C79 VanDerWaalsContact CA-SG 3.57Å; C48-C79 HydrophobicContact CB-CB 3.91Å; C48-C79 WeakPolarHBondContact CB-SG 3.02Å; C48-C79 WeakPolarHBondContact O-CB 3.3Å; C48-C79 WeakPolarHBondContact SG-CB 3.42Å; C48-C79 CovalentContact SG-SG 2.04Å; C48-C79 PolarHBondContact SG-SG 2.88Å
49	S	77.2	Confident	74.6	Confident	58 Å²	58	53.9 Å²	53.9	41%	0.406	30%	0.302	S	S	.	.	H	α-helix	trans	-59.7	-38.5	174.5	-57.2	0	0	0	0	112.4	D45 I52 N53	D45-S49 WeakPolarHBondContact O-CB 3.33Å; D45-S49 PolarHBondContact O-N 2.79Å; D45-S49 PolarHBondContact O-OG 2.86Å; S49-I52 PolarHBondContact O-N 2.92Å; S49-N53 PolarHBondContact O-N 2.04Å; S49-N53 VanDerWaalsContact O-N 3.1Å; S49-N53 PolarHBondContact O-ND2 2.89Å
50	T	74.8	Confident	74.3	Confident	77 Å²	77	57.7 Å²	57.7	47%	0.472	33%	0.325	S	S	.	.	H	α-helix	trans	-62.9	-44.6	174.8	-54.9	0	0	0	0	111.5	N46 M47 C48 I52 N53 V54	N46-T50 PolarHBondContact O-N 2.82Å; N46-T50 PolarHBondContact O-OG1 2.99Å; M47-T50 WeakPolarHBondContact O-CB 3.33Å; M47-T50 PolarHBondContact O-N 2.8Å; C48-T50 VanDerWaalsContact C-N 3.29Å; C48-T50 PolarHBondContact O-N 2.64Å; T50-I52 PolarHBondContact O-N 3.45Å; T50-N53 PolarHBondContact O-N 3.14Å; T50-V54 PolarHBondContact O-N 3.07Å; T50-V54 VanDerWaalsContact O-N 3.12Å
51	G	71.3	Confident	74	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-42.2	175.4	0	0	0	0	0	113.5	M47 C48 N53 V54 A55 A76 C80	M47-G51 PolarHBondContact O-N 3.12Å; C48-G51 PolarHBondContact O-N 2.77Å; C48-G51 VanDerWaalsContact O-N 3.17Å; G51-N53 VanDerWaalsContact C-N 3.31Å; G51-N53 PolarHBondContact O-N 2.92Å; G51-V54 PolarHBondContact O-N 3.36Å; G51-A55 PolarHBondContact O-N 3.39Å; G51-A76 WeakPolarHBondContact CA-O 3.31Å; G51-C80 WeakPolarHBondContact O-CA 3.02Å; G51-C80 VanDerWaalsContact O-CB 3.32Å; G51-C80 WeakPolarHBondContact O-CB 3.19Å; G51-C80 PolarHBondContact O-SG 2.83Å
52	I	75.5	Confident	73	Confident	30 Å²	30	57.7 Å²	57.7	15%	0.154	32%	0.318	C	S	.	.	H	α-helix	trans	-58.9	-42.3	174.9	-70.1	166.3	0	0	0	111.2	C48 S49 T50 A55 K56 C79 C83 V109	C48-I52 WeakPolarHBondContact O-CG1 3.48Å; C48-I52 PolarHBondContact O-N 2.79Å; S49-I52 PolarHBondContact O-N 2.92Å; T50-I52 PolarHBondContact O-N 3.45Å; I52-A55 PolarHBondContact O-N 2.81Å; I52-K56 HydrophobicContact CG2-CD 4.2Å; I52-K56 WeakPolarHBondContact O-CG 3.37Å; I52-K56 PolarHBondContact O-N 2.85Å; I52-C79 HydrophobicContact CG1-CB 4.31Å; I52-C83 HydrophobicContact CG1-CB 4.41Å; I52-V109 HydrophobicContact CD1-CB 4.47Å; I52-V109 HydrophobicContact CD1-CG1 3.75Å; I52-V109 HydrophobicContact CD1-CG2 3.97Å; I52-V109 HydrophobicContact CG1-CG1 3.65Å
53	N	76.9	Confident	72	Confident	84 Å²	84	59.7 Å²	59.7	45%	0.449	33%	0.333	S	S	.	.	H	α-helix	trans	-68	-37.4	178.8	-67.2	-17.7	0	0	0	112.1	S49 T50 G51 A55 K56 D57	S49-N53 PolarHBondContact O-N 2.04Å; S49-N53 VanDerWaalsContact O-N 3.1Å; S49-N53 PolarHBondContact O-ND2 2.89Å; T50-N53 PolarHBondContact O-N 3.14Å; G51-N53 VanDerWaalsContact C-N 3.31Å; G51-N53 PolarHBondContact O-N 2.92Å; N53-A55 PolarHBondContact O-N 3.45Å; N53-K56 WeakPolarHBondContact O-CA 3.25Å; N53-K56 WeakPolarHBondContact O-CB 3.14Å; N53-K56 PolarHBondContact O-N 2.85Å; N53-K56 VanDerWaalsContact O-N 3.1Å; N53-D57 WeakPolarHBondContact O-CB 3.17Å; N53-D57 PolarHBondContact O-N 2.03Å
54	V	76.9	Confident	71.2	Confident	19 Å²	19	60.2 Å²	60.2	12%	0.115	34%	0.336	C	S	.	.	H	α-helix	trans	-62.7	-42.7	172.5	175	0	0	0	0	111.5	T50 G51 K56 D57 Q58 G59 L64	T50-V54 PolarHBondContact O-N 3.07Å; T50-V54 VanDerWaalsContact O-N 3.12Å; G51-V54 PolarHBondContact O-N 3.36Å; V54-K56 VanDerWaalsContact C-N 3.27Å; V54-K56 PolarHBondContact O-N 2.92Å; V54-D57 PolarHBondContact O-N 3.33Å; V54-Q58 HydrophobicContact CG1-CB 4.26Å; V54-Q58 HydrophobicContact CG1-CG 4.44Å; V54-Q58 WeakPolarHBondContact O-CB 3.41Å; V54-Q58 PolarHBondContact O-N 3.01Å; V54-G59 PolarHBondContact O-N 3.2Å; V54-L64 HydrophobicContact CG2-CD2 4.3Å
55	A	74.4	Confident	70.2	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-65	-27.9	172.5	0	0	0	0	0	113.4	G51 I52 N53 C80 C83 L84 K87	G51-A55 PolarHBondContact O-N 3.39Å; I52-A55 PolarHBondContact O-N 2.81Å; N53-A55 PolarHBondContact O-N 3.45Å; A55-C80 HydrophobicContact CB-CB 4.44Å; A55-C80 WeakPolarHBondContact CB-O 3.46Å; A55-C83 HydrophobicContact CB-CB 3.66Å; A55-L84 HydrophobicContact CB-CD2 3.81Å; A55-L84 HydrophobicContact CB-CG 3.93Å; A55-K87 PolarHBondContact O-NZ 3.44Å
56	K	74.7	Confident	68.7	Low	78 Å²	78	62.6 Å²	62.6	34%	0.339	36%	0.364	S	S	.	.	H	α-helix	trans	-72.1	-50.6	173.6	-78.7	179	173.8	-171.6	0	112.2	I52 N53 V54 K87 D116	I52-K56 HydrophobicContact CG2-CD 4.2Å; I52-K56 WeakPolarHBondContact O-CG 3.37Å; I52-K56 PolarHBondContact O-N 2.85Å; N53-K56 WeakPolarHBondContact O-CA 3.25Å; N53-K56 WeakPolarHBondContact O-CB 3.14Å; N53-K56 PolarHBondContact O-N 2.85Å; N53-K56 VanDerWaalsContact O-N 3.1Å; V54-K56 VanDerWaalsContact C-N 3.27Å; V54-K56 PolarHBondContact O-N 2.92Å; K56-K87 PolarHBondContact O-NZ 2.9Å; K56-D116 WeakPolarHBondContact CE-OD2 3.42Å; K56-D116 IonicContact NZ-OD2 2.69Å; K56-D116 PolarHBondContact NZ-OD2 2.83Å
57	D	73.6	Confident	67.6	Low	142 Å²	142	62.5 Å²	62.5	76%	0.759	38%	0.378	S	S	*	.	H	α-helix	trans	-94.6	-35.9	-165.7	-60.3	-20.4	0	0	0	114.4	N53 V54	N53-D57 WeakPolarHBondContact O-CB 3.17Å; N53-D57 PolarHBondContact O-N 2.03Å; V54-D57 PolarHBondContact O-N 3.33Å
58	Q	70.5	Confident	66.2	Low	121 Å²	121	65.3 Å²	65.3	57%	0.565	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-26.3	-176.2	-59.2	-176.2	11.1	0	0	112.9	V54 V60 S63	V54-Q58 HydrophobicContact CG1-CB 4.26Å; V54-Q58 HydrophobicContact CG1-CG 4.44Å; V54-Q58 WeakPolarHBondContact O-CB 3.41Å; V54-Q58 PolarHBondContact O-N 3.01Å; Q58-V60 PolarHBondContact O-N 3.12Å; Q58-S63 PolarHBondContact OE1-OG 3.39Å; Q58-S63 VanDerWaalsContact OE1-OG 3.07Å
59	G	65.8	Low	64.5	Low	36 Å²	36	68.8 Å²	68.8	37%	0.371	42%	0.423	S	S	.	.	S	Bend	trans	72	4	177.7	0	0	0	0	0	115.7	V54	V54-G59 PolarHBondContact O-N 3.2Å
60	V	72.4	Confident	63	Low	80 Å²	80	74.6 Å²	74.6	49%	0.485	44%	0.444	S	S	.	.			trans	-142.2	139.6	179.2	-175.7	0	0	0	0	108.5	Q58 D62	Q58-V60 PolarHBondContact O-N 3.12Å; V60-D62 HydrophobicContact CG1-CB 4.38Å
61	C	72.1	Confident	61.7	Low	5 Å²	5	76.2 Å²	76.2	3%	0.034	45%	0.454	C	S	.	.			trans	-101.7	-8	-170.7	-61.4	0	0	0	0	115.3	S63 L64 C80 D81 L84	C61-S63 PolarHBondContact O-N 2.87Å; C61-S63 VanDerWaalsContact O-N 3.12Å; C61-L64 PolarHBondContact O-N 2.84Å; C61-C80 VanDerWaalsContact CA-SG 3.53Å; C61-C80 HydrophobicContact CB-CB 3.77Å; C61-C80 WeakPolarHBondContact CB-SG 3.44Å; C61-C80 WeakPolarHBondContact SG-CB 3.25Å; C61-C80 CovalentContact SG-SG 2.03Å; C61-C80 PolarHBondContact SG-SG 2.91Å; C61-D81 VanDerWaalsContact CB-OD1 3.3Å; C61-D81 WeakPolarHBondContact CB-OD1 3.48Å; C61-L84 WeakPolarHBondContact SG-CD1 3.37Å
62	D	59.3	Low	60.5	Low	122 Å²	122	81 Å²	81	65%	0.652	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-63.6	-17.9	-176.1	-64.9	-46.1	0	0	0	114.6	V60 L64	V60-D62 HydrophobicContact CG1-CB 4.38Å; D62-L64 PolarHBondContact O-N 2.82Å
63	S	57.7	Low	59.6	Low	64 Å²	64	80.6 Å²	80.6	45%	0.448	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-68.7	-12.6	-177.1	55.7	0	0	0	0	114.4	Q58 C61 L65	Q58-S63 PolarHBondContact OE1-OG 3.39Å; Q58-S63 VanDerWaalsContact OE1-OG 3.07Å; C61-S63 PolarHBondContact O-N 2.87Å; C61-S63 VanDerWaalsContact O-N 3.12Å; S63-L65 PolarHBondContact O-N 2.74Å
64	L	56	Low	58.9	Low	39 Å²	39	80.6 Å²	80.6	20%	0.204	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-80.1	-8.6	-173.5	-68.1	171.4	0	0	0	115.3	V54 C61 D62 A66 A76 Q77 C80	V54-L64 HydrophobicContact CG2-CD2 4.3Å; C61-L64 PolarHBondContact O-N 2.84Å; D62-L64 PolarHBondContact O-N 2.82Å; L64-A66 PolarHBondContact O-N 2.96Å; L64-A76 HydrophobicContact CD1-CB 4.38Å; L64-Q77 HydrophobicContact CD1-CB 4.36Å; L64-C80 HydrophobicContact CD1-CB 4.27Å
65	L	51	Low	58.5	Low	111 Å²	111	82.1 Å²	82.1	58%	0.581	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-89.1	8.7	-174.6	-82.6	160.2	0	0	0	115.1	S63 G67	S63-L65 PolarHBondContact O-N 2.74Å; L65-G67 VanDerWaalsContact C-N 3.27Å; L65-G67 PolarHBondContact O-N 3.13Å
66	A	42.9	Very low	58.3	Low	100 Å²	100	82.4 Å²	82.4	83%	0.826	48%	0.484	S	S	*	.	S	Bend	trans	-79.1	57.1	-177	0	0	0	0	0	114.9	L64	L64-A66 PolarHBondContact O-N 2.96Å
67	G	49.1	Very low	58.2	Low	62 Å²	62	80.8 Å²	80.8	64%	0.639	48%	0.477	S	S	*	.	S	Bend	trans	90.5	72.8	154.7	0	0	0	0	0	118.4	L65	L65-G67 VanDerWaalsContact C-N 3.27Å; L65-G67 PolarHBondContact O-N 3.13Å
68	T	42	Very low	58.5	Low	127 Å²	127	77.3 Å²	77.3	78%	0.779	46%	0.458	S	S	*	.	S	Bend	trans	-162.5	173.8	146.1	3.3	0	0	0	0	110.6
69	C	40.7	Very low	58.8	Low	89 Å²	89	71.7 Å²	71.7	60%	0.601	43%	0.431	S	S	*	.			trans	-40.4	132.3	-166.3	-64	0	0	0	0	116.8	T71 K72	C69-T71 PolarHBondContact O-N 3Å; C69-K72 PolarHBondContact O-N 2.82Å
70	E	46.2	Very low	59.5	Low	181 Å²	181	70 Å²	70	85%	0.846	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-18.9	-169.5	-60	174.5	133.8	0	0	116	T74	E70-T74 WeakPolarHBondContact O-CG2 3.48Å
71	T	46.1	Very low	59.9	Low	111 Å²	111	69.5 Å²	69.5	68%	0.681	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-31.2	178.1	51.8	0	0	0	0	113.4	C69 T74	C69-T71 PolarHBondContact O-N 3Å; T71-T74 PolarHBondContact O-OG1 2.82Å
72	K	46.6	Very low	60.3	Low	101 Å²	101	69.4 Å²	69.4	44%	0.439	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-32.9	-172	-67.9	-170.1	175.9	-174.9	0	113.2	D18 M47 C69	D18-K72 IonicContact OD1-NZ 3.95Å; D18-K72 PolarHBondContact OD1-NZ 2.8Å; M47-K72 HydrophobicContact CE-CB 4.27Å; M47-K72 WeakPolarHBondContact CE-O 3.3Å; M47-K72 HydrophobicContact SD-CB 4.31Å; C69-K72 PolarHBondContact O-N 2.82Å
73	T	56.8	Low	61.4	Low	21 Å²	21	63.6 Å²	63.6	13%	0.129	38%	0.377	C	S	.	.	H	α-helix	trans	-69	-31.5	179.6	44.7	0	0	0	0	113.4	K75 A76 Q77	T73-K75 PolarHBondContact O-N 3.11Å; T73-A76 PolarHBondContact O-N 2.68Å; T73-Q77 PolarHBondContact O-N 2.83Å
74	T	62.5	Low	62.5	Low	83 Å²	83	62.6 Å²	62.6	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-56.9	-42.8	-171.8	60.8	0	0	0	0	114.5	E70 T71 Q77 M78	E70-T74 WeakPolarHBondContact O-CG2 3.48Å; T71-T74 PolarHBondContact O-OG1 2.82Å; T74-Q77 PolarHBondContact O-N 3.43Å; T74-M78 WeakPolarHBondContact O-CB 3.4Å; T74-M78 PolarHBondContact O-N 3.17Å
75	K	68	Low	63.6	Low	52 Å²	52	64.4 Å²	64.4	23%	0.226	38%	0.376	C	S	.	.	H	α-helix	trans	-74.5	-34.5	-176.6	-162.2	168	-170.1	168.5	0	112.8	E44 T73 M78 C79	E44-K75 HydrophobicContact CB-CD 3.82Å; E44-K75 HydrophobicContact CG-CD 3.85Å; E44-K75 VanDerWaalsContact OE1-CD 3.22Å; E44-K75 WeakPolarHBondContact OE1-CD 3.21Å; E44-K75 IonicContact OE1-NZ 2.7Å; E44-K75 PolarHBondContact OE1-NZ 2.8Å; E44-K75 IonicContact OE2-NZ 2.62Å; E44-K75 PolarHBondContact OE2-NZ 2.86Å; T73-K75 PolarHBondContact O-N 3.11Å; K75-M78 HydrophobicContact CG-CE 4.29Å; K75-C79 PolarHBondContact O-N 2.97Å; K75-C79 VanDerWaalsContact O-N 3.09Å; K75-C79 PolarHBondContact O-SG 2.86Å; K75-C79 VanDerWaalsContact O-SG 3.38Å
76	A	69.3	Low	64.9	Low	5 Å²	5	59.1 Å²	59.1	4%	0.041	35%	0.348	C	S	.	.	H	α-helix	trans	-66	-45.4	172.2	0	0	0	0	0	111.1	M47 G51 L64 T73 C79 C80	M47-A76 HydrophobicContact CB-CB 4.38Å; M47-A76 HydrophobicContact CE-CB 4.43Å; M47-A76 WeakPolarHBondContact O-CB 3.42Å; G51-A76 WeakPolarHBondContact CA-O 3.31Å; L64-A76 HydrophobicContact CD1-CB 4.38Å; T73-A76 PolarHBondContact O-N 2.68Å; A76-C79 PolarHBondContact O-N 2.92Å; A76-C80 WeakPolarHBondContact O-CB 3.42Å; A76-C80 PolarHBondContact O-N 3.42Å
77	Q	73.8	Confident	66.6	Low	44 Å²	44	58 Å²	58	21%	0.206	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-48.9	177.3	-170.8	168	3.2	0	0	111.4	L64 T73 T74 C79 C80 D81	L64-Q77 HydrophobicContact CD1-CB 4.36Å; T73-Q77 PolarHBondContact O-N 2.83Å; T74-Q77 PolarHBondContact O-N 3.43Å; Q77-C79 VanDerWaalsContact C-N 3.34Å; Q77-C79 PolarHBondContact O-N 2.64Å; Q77-C80 WeakPolarHBondContact O-CA 3.47Å; Q77-C80 VanDerWaalsContact O-CB 3.29Å; Q77-C80 WeakPolarHBondContact O-CB 3.33Å; Q77-C80 PolarHBondContact O-N 2.93Å; Q77-D81 VanDerWaalsContact O-CG 3.28Å; Q77-D81 PolarHBondContact O-N 2.85Å
78	M	79.1	Confident	67.9	Low	70 Å²	70	61 Å²	61	35%	0.345	32%	0.322	S	S	.	.	H	α-helix	trans	-55	-45.2	174.9	-176.2	-167.1	72.1	0	0	112.6	T74 K75 C80 D81 C82	T74-M78 WeakPolarHBondContact O-CB 3.4Å; T74-M78 PolarHBondContact O-N 3.17Å; K75-M78 HydrophobicContact CG-CE 4.29Å; M78-C80 VanDerWaalsContact C-N 3.33Å; M78-C80 PolarHBondContact O-N 2.74Å; M78-D81 PolarHBondContact O-N 2.84Å; M78-C82 WeakPolarHBondContact O-CB 3.44Å; M78-C82 PolarHBondContact O-N 3.41Å; M78-C82 PolarHBondContact O-SG 2.79Å
79	C	77.6	Confident	69.5	Low	2 Å²	2	56 Å²	56	1%	0.014	29%	0.294	C	S	.	.	H	α-helix	trans	-68.5	-31	177.5	-69.4	0	0	0	0	113	C48 I52 K75 A76 Q77 C83 V109	C48-C79 VanDerWaalsContact CA-SG 3.57Å; C48-C79 HydrophobicContact CB-CB 3.91Å; C48-C79 WeakPolarHBondContact CB-SG 3.02Å; C48-C79 WeakPolarHBondContact O-CB 3.3Å; C48-C79 WeakPolarHBondContact SG-CB 3.42Å; C48-C79 CovalentContact SG-SG 2.04Å; C48-C79 PolarHBondContact SG-SG 2.88Å; I52-C79 HydrophobicContact CG1-CB 4.31Å; K75-C79 PolarHBondContact O-N 2.97Å; K75-C79 VanDerWaalsContact O-N 3.09Å; K75-C79 PolarHBondContact O-SG 2.86Å; K75-C79 VanDerWaalsContact O-SG 3.38Å; A76-C79 PolarHBondContact O-N 2.92Å; Q77-C79 VanDerWaalsContact C-N 3.34Å; Q77-C79 PolarHBondContact O-N 2.64Å; C79-C83 VanDerWaalsContact O-CB 3.28Å; C79-C83 WeakPolarHBondContact O-CB 3.09Å; C79-C83 PolarHBondContact O-N 2.94Å; C79-C83 VanDerWaalsContact O-N 3.13Å; C79-V109 WeakPolarHBondContact O-CG1 3.47Å
80	C	81.1	Confident	71	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-52.4	171.9	-171.3	0	0	0	0	110.8	G51 A55 C61 L64 A76 Q77 M78 C82 C83 L84	G51-C80 WeakPolarHBondContact O-CA 3.02Å; G51-C80 VanDerWaalsContact O-CB 3.32Å; G51-C80 WeakPolarHBondContact O-CB 3.19Å; G51-C80 PolarHBondContact O-SG 2.83Å; A55-C80 HydrophobicContact CB-CB 4.44Å; A55-C80 WeakPolarHBondContact CB-O 3.46Å; C61-C80 VanDerWaalsContact CA-SG 3.53Å; C61-C80 HydrophobicContact CB-CB 3.77Å; C61-C80 WeakPolarHBondContact CB-SG 3.44Å; C61-C80 WeakPolarHBondContact SG-CB 3.25Å; C61-C80 CovalentContact SG-SG 2.03Å; C61-C80 PolarHBondContact SG-SG 2.91Å; L64-C80 HydrophobicContact CD1-CB 4.27Å; A76-C80 WeakPolarHBondContact O-CB 3.42Å; A76-C80 PolarHBondContact O-N 3.42Å; Q77-C80 WeakPolarHBondContact O-CA 3.47Å; Q77-C80 VanDerWaalsContact O-CB 3.29Å; Q77-C80 WeakPolarHBondContact O-CB 3.33Å; Q77-C80 PolarHBondContact O-N 2.93Å; M78-C80 VanDerWaalsContact C-N 3.33Å; M78-C80 PolarHBondContact O-N 2.74Å; C80-C82 PolarHBondContact O-N 2.84Å; C80-C83 WeakPolarHBondContact O-CB 3.08Å; C80-C83 PolarHBondContact O-N 2.81Å; C80-C83 VanDerWaalsContact O-N 3.1Å; C80-L84 PolarHBondContact O-N 3.25Å
81	D	79.4	Confident	72.2	Confident	70 Å²	70	49.1 Å²	49.1	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-60.8	-44.9	-179.3	-60.2	-31.7	0	0	0	111.7	C61 Q77 M78 C83 L84 L85	C61-D81 VanDerWaalsContact CB-OD1 3.3Å; C61-D81 WeakPolarHBondContact CB-OD1 3.48Å; Q77-D81 VanDerWaalsContact O-CG 3.28Å; Q77-D81 PolarHBondContact O-N 2.85Å; M78-D81 PolarHBondContact O-N 2.84Å; D81-C83 VanDerWaalsContact C-N 3.29Å; D81-C83 PolarHBondContact O-N 2.94Å; D81-L84 PolarHBondContact O-N 2.82Å; D81-L85 WeakPolarHBondContact O-CG 3.12Å; D81-L85 PolarHBondContact O-N 3.4Å
82	C	81.4	Confident	73.7	Confident	4 Å²	4	49.2 Å²	49.2	3%	0.027	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-32.9	176.2	-64.9	0	0	0	0	112.8	M78 C80 G86 C106 V109 S110	M78-C82 WeakPolarHBondContact O-CB 3.44Å; M78-C82 PolarHBondContact O-N 3.41Å; M78-C82 PolarHBondContact O-SG 2.79Å; C80-C82 PolarHBondContact O-N 2.84Å; C82-G86 PolarHBondContact O-N 2.75Å; C82-C106 HydrophobicContact CB-CB 4.02Å; C82-C106 WeakPolarHBondContact CB-SG 3.28Å; C82-C106 VanDerWaalsContact SG-CA 3.55Å; C82-C106 WeakPolarHBondContact SG-CB 3.42Å; C82-C106 CovalentContact SG-SG 2.03Å; C82-C106 PolarHBondContact SG-SG 3.48Å; C82-V109 HydrophobicContact CB-CB 4.38Å; C82-V109 HydrophobicContact CB-CG1 4.27Å; C82-S110 WeakPolarHBondContact O-CA 3.3Å; C82-S110 WeakPolarHBondContact O-CB 3.37Å; C82-S110 PolarHBondContact O-OG 2.04Å
83	C	81.9	Confident	74.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-71	-39.8	174.8	-177.6	0	0	0	0	111.9	I52 A55 C79 C80 D81 G86 K87 V109 C113	I52-C83 HydrophobicContact CG1-CB 4.41Å; A55-C83 HydrophobicContact CB-CB 3.66Å; C79-C83 VanDerWaalsContact O-CB 3.28Å; C79-C83 WeakPolarHBondContact O-CB 3.09Å; C79-C83 PolarHBondContact O-N 2.94Å; C79-C83 VanDerWaalsContact O-N 3.13Å; C80-C83 WeakPolarHBondContact O-CB 3.08Å; C80-C83 PolarHBondContact O-N 2.81Å; C80-C83 VanDerWaalsContact O-N 3.1Å; D81-C83 VanDerWaalsContact C-N 3.29Å; D81-C83 PolarHBondContact O-N 2.94Å; C83-G86 PolarHBondContact O-N 2.68Å; C83-K87 PolarHBondContact O-N 3.47Å; C83-K87 VanDerWaalsContact O-N 3.13Å; C83-V109 HydrophobicContact CB-CG1 3.93Å; C83-C113 HydrophobicContact CB-CB 3.92Å; C83-C113 WeakPolarHBondContact CB-SG 3.42Å; C83-C113 WeakPolarHBondContact O-CB 3.4Å; C83-C113 WeakPolarHBondContact SG-CB 3.49Å; C83-C113 CovalentContact SG-SG 2.04Å; C83-C113 PolarHBondContact SG-SG 2.84Å
84	L	81	Confident	75.4	Confident	43 Å²	43	54.1 Å²	54.1	23%	0.225	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-42.8	173.5	-68	-175.2	0	0	0	112	A55 C61 C80 D81 G86 K87 E88	A55-L84 HydrophobicContact CB-CD2 3.81Å; A55-L84 HydrophobicContact CB-CG 3.93Å; C61-L84 WeakPolarHBondContact SG-CD1 3.37Å; C80-L84 PolarHBondContact O-N 3.25Å; D81-L84 PolarHBondContact O-N 2.82Å; L84-G86 PolarHBondContact O-N 2.83Å; L84-K87 PolarHBondContact O-N 2.92Å; L84-K87 VanDerWaalsContact O-N 3.09Å; L84-E88 PolarHBondContact O-N 3.48Å
85	L	78.9	Confident	75.7	Confident	76 Å²	76	54.4 Å²	54.4	40%	0.398	30%	0.298	S	S	.	.	H	α-helix	trans	-57.3	-34.9	173.4	-71.8	172.1	0	0	0	112.4	D81 A89	D81-L85 WeakPolarHBondContact O-CG 3.12Å; D81-L85 PolarHBondContact O-N 3.4Å; L85-A89 WeakPolarHBondContact O-CB 3.44Å; L85-A89 PolarHBondContact O-N 2.7Å
86	G	78.4	Confident	75.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-45.9	173.6	0	0	0	0	0	113.1	C82 C83 L84 Q90 S110 C114	C82-G86 PolarHBondContact O-N 2.75Å; C83-G86 PolarHBondContact O-N 2.68Å; L84-G86 PolarHBondContact O-N 2.83Å; G86-Q90 PolarHBondContact O-N 3.38Å; G86-Q90 VanDerWaalsContact O-N 3.11Å; G86-S110 WeakPolarHBondContact CA-O 3.49Å; G86-S110 VanDerWaalsContact CA-OG 3.28Å; G86-S110 WeakPolarHBondContact CA-OG 3.31Å; G86-S110 PolarHBondContact N-OG 2.78Å; G86-C114 VanDerWaalsContact O-CB 3.31Å; G86-C114 WeakPolarHBondContact O-CB 3.23Å
87	K	79.2	Confident	75.1	Confident	78 Å²	78	58.9 Å²	58.9	34%	0.339	33%	0.326	S	S	.	.	H	α-helix	trans	-64.5	-38.6	174.8	-77.3	-177.9	165.4	-173	0	112.7	A55 K56 C83 L84 Q90 G91	A55-K87 PolarHBondContact O-NZ 3.44Å; K56-K87 PolarHBondContact O-NZ 2.9Å; C83-K87 PolarHBondContact O-N 3.47Å; C83-K87 VanDerWaalsContact O-N 3.13Å; L84-K87 PolarHBondContact O-N 2.92Å; L84-K87 VanDerWaalsContact O-N 3.09Å; K87-Q90 WeakPolarHBondContact O-CB 3.13Å; K87-Q90 PolarHBondContact O-N 2.9Å; K87-G91 PolarHBondContact O-N 2.82Å
88	E	76.6	Confident	74.6	Confident	125 Å²	125	63 Å²	63	58%	0.584	35%	0.345	S	S	*	.	H	α-helix	trans	-68.6	-41.8	178.7	-172	173.3	-159.7	0	0	111.5	L84 Q90 G91 L92	L84-E88 PolarHBondContact O-N 3.48Å; E88-Q90 VanDerWaalsContact C-N 3.31Å; E88-Q90 PolarHBondContact O-N 3.42Å; E88-G91 PolarHBondContact O-N 2.84Å; E88-G91 VanDerWaalsContact O-N 3.17Å; E88-L92 HydrophobicContact CG-CD1 4.21Å; E88-L92 WeakPolarHBondContact O-CG 3.48Å; E88-L92 PolarHBondContact O-N 3.06Å
89	A	73.9	Confident	73.5	Confident	22 Å²	22	67.2 Å²	67.2	18%	0.182	37%	0.369	C	S	.	.	H	α-helix	trans	-56.3	-45.7	170.8	0	0	0	0	0	111.5	L85 G91 L92 N93 I94	L85-A89 WeakPolarHBondContact O-CB 3.44Å; L85-A89 PolarHBondContact O-N 2.7Å; A89-G91 PolarHBondContact O-N 2.87Å; A89-L92 CarbonylContact O-C 3.58Å; A89-L92 PolarHBondContact O-N 2.95Å; A89-N93 PolarHBondContact O-N 2.95Å; A89-I94 HydrophobicContact CB-CB 4.13Å; A89-I94 HydrophobicContact CB-CG2 4.19Å; A89-I94 WeakPolarHBondContact O-CB 3.49Å; A89-I94 PolarHBondContact O-N 3.28Å
90	Q	73.8	Confident	72.6	Confident	61 Å²	61	69.7 Å²	69.7	29%	0.285	38%	0.382	S	S	.	.	H	α-helix	trans	-59.4	-46	174.7	-170.6	179.3	38.3	0	0	112.2	G86 K87 E88 L92 N93 C114 G117	G86-Q90 PolarHBondContact O-N 3.38Å; G86-Q90 VanDerWaalsContact O-N 3.11Å; K87-Q90 WeakPolarHBondContact O-CB 3.13Å; K87-Q90 PolarHBondContact O-N 2.9Å; E88-Q90 VanDerWaalsContact C-N 3.31Å; E88-Q90 PolarHBondContact O-N 3.42Å; Q90-L92 PolarHBondContact O-N 2.88Å; Q90-N93 PolarHBondContact O-N 2.79Å; Q90-C114 PolarHBondContact NE2-O 3.36Å; Q90-G117 VanDerWaalsContact NE2-C 3.27Å; Q90-G117 VanDerWaalsContact NE2-CA 3.29Å
91	G	70.9	Confident	71.5	Confident	64 Å²	64	75.8 Å²	75.8	66%	0.66	42%	0.424	S	S	*	.	H	α-helix	trans	-61.1	-25.6	177.3	0	0	0	0	0	114.2	K87 E88 A89	K87-G91 PolarHBondContact O-N 2.82Å; E88-G91 PolarHBondContact O-N 2.84Å; E88-G91 VanDerWaalsContact O-N 3.17Å; A89-G91 PolarHBondContact O-N 2.87Å
92	L	76.4	Confident	70.4	Confident	112 Å²	112	77 Å²	77	59%	0.586	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	6.3	175.5	-65.3	172.3	0	0	0	113.7	E88 A89 Q90 I94	E88-L92 HydrophobicContact CG-CD1 4.21Å; E88-L92 WeakPolarHBondContact O-CG 3.48Å; E88-L92 PolarHBondContact O-N 3.06Å; A89-L92 CarbonylContact O-C 3.58Å; A89-L92 PolarHBondContact O-N 2.95Å; Q90-L92 PolarHBondContact O-N 2.88Å; L92-I94 HydrophobicContact CB-CD1 3.73Å; L92-I94 HydrophobicContact CB-CG1 3.86Å; L92-I94 HydrophobicContact CD1-CD1 4.03Å; L92-I94 PolarHBondContact O-N 2.85Å
93	N	67.4	Low	69.3	Low	155 Å²	155	78.5 Å²	78.5	83%	0.829	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	30.4	-171.6	-68	-73.3	0	0	0	114	A89 Q90	A89-N93 PolarHBondContact O-N 2.95Å; Q90-N93 PolarHBondContact O-N 2.79Å
94	I	73.3	Confident	68.4	Low	71 Å²	71	86.8 Å²	86.8	36%	0.364	48%	0.483	S	S	.	.			trans	-86.8	121.4	176.3	-65.5	175.1	0	0	0	107.7	A89 L92 H98	A89-I94 HydrophobicContact CB-CB 4.13Å; A89-I94 HydrophobicContact CB-CG2 4.19Å; A89-I94 WeakPolarHBondContact O-CB 3.49Å; A89-I94 PolarHBondContact O-N 3.28Å; L92-I94 HydrophobicContact CB-CD1 3.73Å; L92-I94 HydrophobicContact CB-CG1 3.86Å; L92-I94 HydrophobicContact CD1-CD1 4.03Å; L92-I94 PolarHBondContact O-N 2.85Å; I94-H98 WeakPolarHBondContact CG2-CD2 3.36Å
95	P	67.6	Low	67.7	Low	89 Å²	89	89.6 Å²	89.6	58%	0.578	49%	0.494	S	S	*	.			trans	-68.7	136.8	-168.8	27	-34.9	0	0	0	112.5	D97 H98	P95-D97 PolarHBondContact O-N 3.43Å; P95-H98 PolarHBondContact O-CD2 2.91Å
96	C	65.3	Low	67.4	Low	30 Å²	30	86.1 Å²	86.1	20%	0.203	48%	0.476	C	S	.	.	S	Bend	trans	-62.7	-1.8	-163.9	-57.7	0	0	0	0	118.5	H98 R111 C114 M115	C96-H98 PolarHBondContact O-N 3.11Å; C96-R111 VanDerWaalsContact O-CG 3.28Å; C96-R111 WeakPolarHBondContact O-CG 3.44Å; C96-C114 WeakPolarHBondContact CA-SG 3.42Å; C96-C114 HydrophobicContact CB-CB 3.61Å; C96-C114 WeakPolarHBondContact CB-SG 3.49Å; C96-C114 WeakPolarHBondContact SG-CB 3.11Å; C96-C114 PolarHBondContact SG-O 2.91Å; C96-C114 CovalentContact SG-SG 2.04Å; C96-C114 PolarHBondContact SG-SG 3.24Å; C96-M115 HydrophobicContact CB-CE 4.42Å; C96-M115 HydrophobicContact CB-CG 4.09Å
97	D	60.2	Low	66.9	Low	121 Å²	121	86.8 Å²	86.8	65%	0.647	48%	0.481	S	S	*	.			trans	-102.7	58.9	-175.5	-152.1	37.2	0	0	0	112.4	P95 R111	P95-D97 PolarHBondContact O-N 3.43Å; D97-R111 VanDerWaalsContact OD1-CD 3.29Å; D97-R111 WeakPolarHBondContact OD1-CD 3.44Å; D97-R111 IonicContact OD1-CZ 3.53Å; D97-R111 IonicContact OD1-NE 3.59Å; D97-R111 IonicContact OD1-NH1 3.38Å; D97-R111 PolarHBondContact OD1-NH1 2.61Å
98	H	63.1	Low	66.6	Low	130 Å²	130	85.7 Å²	85.7	60%	0.602	48%	0.479	S	S	*	.			trans	-105.2	141.1	177.1	-71.2	-57.4	0	0	0	113.2	I94 P95 C96 L100	I94-H98 WeakPolarHBondContact CG2-CD2 3.36Å; P95-H98 PolarHBondContact O-CD2 2.91Å; C96-H98 PolarHBondContact O-N 3.11Å; H98-L100 PolarHBondContact O-N 3.19Å
99	N	56.1	Low	66.6	Low	159 Å²	159	80.4 Å²	80.4	85%	0.85	46%	0.455	S	S	*	.			trans	-88.4	99.3	176.3	-116.8	-20.3	0	0	0	110.4
100	L	58.8	Low	66.7	Low	54 Å²	54	80 Å²	80	28%	0.283	45%	0.45	S	S	.	.			trans	-72.8	130.6	172.4	-76.2	160.9	0	0	0	110.5	H98 V102 S107	H98-L100 PolarHBondContact O-N 3.19Å; L100-V102 HydrophobicContact CB-CG2 4.45Å; L100-V102 PolarHBondContact O-N 3.01Å; L100-V102 VanDerWaalsContact O-N 3.08Å; L100-S107 PolarHBondContact N-OG 2.87Å; L100-S107 PolarHBondContact O-OG 2.79Å
101	S	57.5	Low	66.8	Low	128 Å²	128	82 Å²	82	90%	0.895	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	5.1	176	-168.5	0	0	0	0	113.9
102	V	57.4	Low	67	Low	95 Å²	95	81.5 Å²	81.5	58%	0.576	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-8.1	-174.7	-165	0	0	0	0	112	L100 C106	L100-V102 HydrophobicContact CB-CG2 4.45Å; L100-V102 PolarHBondContact O-N 3.01Å; L100-V102 VanDerWaalsContact O-N 3.08Å; V102-C106 HydrophobicContact CB-CB 4.29Å; V102-C106 HydrophobicContact CG1-CB 4.46Å
103	G	56.8	Low	67	Low	35 Å²	35	76.4 Å²	76.4	36%	0.361	42%	0.419	S	S	.	.			trans	121.3	153.4	171.5	0	0	0	0	0	113.6	Q105 C106 S107	G103-Q105 VanDerWaalsContact C-N 3.33Å; G103-Q105 PolarHBondContact O-N 3.04Å; G103-C106 WeakPolarHBondContact O-CB 3.44Å; G103-C106 PolarHBondContact O-N 2.79Å; G103-S107 PolarHBondContact O-N 3.37Å; G103-S107 VanDerWaalsContact O-N 3.12Å; G103-S107 PolarHBondContact O-OG 3Å
104	Y	64.4	Low	67.3	Low	175 Å²	175	69.1 Å²	69.1	69%	0.686	38%	0.38	S	S	*	.	H	α-helix	trans	-52.3	-43.9	-168.7	-177.9	-106.1	0	0	0	114.3	S107 L108	Y104-S107 PolarHBondContact O-N 2.91Å; Y104-L108 HydrophobicContact CD1-CD1 4.06Å; Y104-L108 HydrophobicContact CE1-CD1 3.56Å; Y104-L108 HydrophobicContact CE1-CG 4.35Å; Y104-L108 WeakPolarHBondContact O-CG 3.02Å; Y104-L108 PolarHBondContact O-N 2.83Å; Y104-L108 VanDerWaalsContact O-N 3.13Å
105	Q	64.8	Low	67	Low	102 Å²	102	71.3 Å²	71.3	48%	0.477	39%	0.39	S	S	.	.	H	α-helix	trans	-66.5	-39.7	178.7	-64.9	-67.1	6.3	0	0	112.4	G103 S107 L108 V109	G103-Q105 VanDerWaalsContact C-N 3.33Å; G103-Q105 PolarHBondContact O-N 3.04Å; Q105-S107 PolarHBondContact O-N 3.38Å; Q105-L108 PolarHBondContact O-N 3.24Å; Q105-V109 WeakPolarHBondContact O-CG2 3.1Å; Q105-V109 PolarHBondContact O-N 2.69Å
106	C	73.6	Confident	66.8	Low	2 Å²	2	72 Å²	72	1%	0.014	39%	0.389	C	S	.	.	H	α-helix	trans	-62.1	-43.4	175.9	-174.5	0	0	0	0	111.4	C82 V102 G103 L108 V109 S110	C82-C106 HydrophobicContact CB-CB 4.02Å; C82-C106 WeakPolarHBondContact CB-SG 3.28Å; C82-C106 VanDerWaalsContact SG-CA 3.55Å; C82-C106 WeakPolarHBondContact SG-CB 3.42Å; C82-C106 CovalentContact SG-SG 2.03Å; C82-C106 PolarHBondContact SG-SG 3.48Å; V102-C106 HydrophobicContact CB-CB 4.29Å; V102-C106 HydrophobicContact CG1-CB 4.46Å; G103-C106 WeakPolarHBondContact O-CB 3.44Å; G103-C106 PolarHBondContact O-N 2.79Å; C106-L108 VanDerWaalsContact C-N 3.35Å; C106-L108 PolarHBondContact O-N 3.49Å; C106-V109 PolarHBondContact O-N 3.44Å; C106-S110 VanDerWaalsContact O-CB 3.29Å; C106-S110 WeakPolarHBondContact O-CB 3.1Å; C106-S110 PolarHBondContact O-N 2.85Å
107	S	68.3	Low	66.1	Low	14 Å²	14	72.9 Å²	72.9	10%	0.098	40%	0.403	C	S	.	.	H	α-helix	trans	-61.3	-40	176.4	-54.9	0	0	0	0	112.7	L100 G103 Y104 Q105 R111	L100-S107 PolarHBondContact N-OG 2.87Å; L100-S107 PolarHBondContact O-OG 2.79Å; G103-S107 PolarHBondContact O-N 3.37Å; G103-S107 VanDerWaalsContact O-N 3.12Å; G103-S107 PolarHBondContact O-OG 3Å; Y104-S107 PolarHBondContact O-N 2.91Å; Q105-S107 PolarHBondContact O-N 3.38Å; S107-R111 WeakPolarHBondContact O-CB 3.26Å; S107-R111 PolarHBondContact O-N 3.09Å
108	L	72.8	Confident	65.2	Low	56 Å²	56	70.3 Å²	70.3	29%	0.293	40%	0.398	S	S	.	.	H	α-helix	trans	-65.1	-47.3	176.1	-71.3	178.3	0	0	0	112.1	Y104 Q105 C106 R111 A112	Y104-L108 HydrophobicContact CD1-CD1 4.06Å; Y104-L108 HydrophobicContact CE1-CD1 3.56Å; Y104-L108 HydrophobicContact CE1-CG 4.35Å; Y104-L108 WeakPolarHBondContact O-CG 3.02Å; Y104-L108 PolarHBondContact O-N 2.83Å; Y104-L108 VanDerWaalsContact O-N 3.13Å; Q105-L108 PolarHBondContact O-N 3.24Å; C106-L108 VanDerWaalsContact C-N 3.35Å; C106-L108 PolarHBondContact O-N 3.49Å; L108-R111 PolarHBondContact O-N 3.47Å; L108-A112 WeakPolarHBondContact O-CB 3.38Å; L108-A112 PolarHBondContact O-N 2.98Å
109	V	75.7	Confident	63.7	Low	13 Å²	13	69.6 Å²	69.6	8%	0.079	41%	0.408	C	S	.	.	H	α-helix	trans	-64.7	-43.8	179.7	172.9	0	0	0	0	111.6	I52 C79 C82 C83 Q105 C106 A112 C113	I52-V109 HydrophobicContact CD1-CB 4.47Å; I52-V109 HydrophobicContact CD1-CG1 3.75Å; I52-V109 HydrophobicContact CD1-CG2 3.97Å; I52-V109 HydrophobicContact CG1-CG1 3.65Å; C79-V109 WeakPolarHBondContact O-CG1 3.47Å; C82-V109 HydrophobicContact CB-CB 4.38Å; C82-V109 HydrophobicContact CB-CG1 4.27Å; C83-V109 HydrophobicContact CB-CG1 3.93Å; Q105-V109 WeakPolarHBondContact O-CG2 3.1Å; Q105-V109 PolarHBondContact O-N 2.69Å; C106-V109 PolarHBondContact O-N 3.44Å; V109-A112 PolarHBondContact O-N 3.15Å; V109-C113 PolarHBondContact O-N 3.22Å
110	S	76.8	Confident	62.4	Low	13 Å²	13	70 Å²	70	9%	0.091	41%	0.41	C	S	.	.	H	α-helix	trans	-61.2	-46.5	177.1	-173.8	0	0	0	0	111.9	C82 G86 C106 A112 C113 C114	C82-S110 WeakPolarHBondContact O-CA 3.3Å; C82-S110 WeakPolarHBondContact O-CB 3.37Å; C82-S110 PolarHBondContact O-OG 2.04Å; G86-S110 WeakPolarHBondContact CA-O 3.49Å; G86-S110 VanDerWaalsContact CA-OG 3.28Å; G86-S110 WeakPolarHBondContact CA-OG 3.31Å; G86-S110 PolarHBondContact N-OG 2.78Å; C106-S110 VanDerWaalsContact O-CB 3.29Å; C106-S110 WeakPolarHBondContact O-CB 3.1Å; C106-S110 PolarHBondContact O-N 2.85Å; S110-A112 PolarHBondContact O-N 2.83Å; S110-C113 PolarHBondContact O-N 3.25Å; S110-C114 WeakPolarHBondContact O-CB 3.4Å; S110-C114 PolarHBondContact O-N 2.97Å
111	R	76.1	Confident	60.9	Low	105 Å²	105	74.1 Å²	74.1	40%	0.396	43%	0.432	S	S	.	.	H	α-helix	trans	-61.6	-43.2	176.3	-178.7	165.7	66.7	-175.8	0.9	112	C96 D97 S107 L108 C114 M115	C96-R111 VanDerWaalsContact O-CG 3.28Å; C96-R111 WeakPolarHBondContact O-CG 3.44Å; D97-R111 VanDerWaalsContact OD1-CD 3.29Å; D97-R111 WeakPolarHBondContact OD1-CD 3.44Å; D97-R111 IonicContact OD1-CZ 3.53Å; D97-R111 IonicContact OD1-NE 3.59Å; D97-R111 IonicContact OD1-NH1 3.38Å; D97-R111 PolarHBondContact OD1-NH1 2.61Å; S107-R111 WeakPolarHBondContact O-CB 3.26Å; S107-R111 PolarHBondContact O-N 3.09Å; L108-R111 PolarHBondContact O-N 3.47Å; R111-C114 PolarHBondContact O-N 2.72Å; R111-M115 HydrophobicContact CG-CG 4.41Å; R111-M115 WeakPolarHBondContact O-CG 3.44Å; R111-M115 PolarHBondContact O-N 2.88Å; R111-M115 VanDerWaalsContact O-N 3.11Å
112	A	75.2	Confident	59.6	Low	53 Å²	53	76.3 Å²	76.3	44%	0.438	43%	0.428	S	S	.	.	H	α-helix	trans	-59.9	-50.8	177.3	0	0	0	0	0	111.9	L108 V109 S110 C114 M115 D116	L108-A112 WeakPolarHBondContact O-CB 3.38Å; L108-A112 PolarHBondContact O-N 2.98Å; V109-A112 PolarHBondContact O-N 3.15Å; S110-A112 PolarHBondContact O-N 2.83Å; A112-C114 VanDerWaalsContact C-N 3.28Å; A112-C114 PolarHBondContact O-N 2.92Å; A112-M115 PolarHBondContact O-N 2.87Å; A112-M115 VanDerWaalsContact O-N 3.17Å; A112-D116 PolarHBondContact O-N 3.43Å
113	C	75.9	Confident	58.1	Low	5 Å²	5	77.8 Å²	77.8	3%	0.034	44%	0.438	C	S	.	.	H	α-helix	trans	-67.5	-24.5	179.2	-68.6	0	0	0	0	114.1	C83 V109 S110	C83-C113 HydrophobicContact CB-CB 3.92Å; C83-C113 WeakPolarHBondContact CB-SG 3.42Å; C83-C113 WeakPolarHBondContact O-CB 3.4Å; C83-C113 WeakPolarHBondContact SG-CB 3.49Å; C83-C113 CovalentContact SG-SG 2.04Å; C83-C113 PolarHBondContact SG-SG 2.84Å; V109-C113 PolarHBondContact O-N 3.22Å; S110-C113 PolarHBondContact O-N 3.25Å
114	C	74.1	Confident	56.5	Low	2 Å²	2	80.4 Å²	80.4	1%	0.014	46%	0.456	C	S	.	.	H	α-helix	trans	-73.4	-34.7	172.3	-177.2	0	0	0	0	112.5	G86 Q90 C96 S110 R111 A112	G86-C114 VanDerWaalsContact O-CB 3.31Å; G86-C114 WeakPolarHBondContact O-CB 3.23Å; Q90-C114 PolarHBondContact NE2-O 3.36Å; C96-C114 WeakPolarHBondContact CA-SG 3.42Å; C96-C114 HydrophobicContact CB-CB 3.61Å; C96-C114 WeakPolarHBondContact CB-SG 3.49Å; C96-C114 WeakPolarHBondContact SG-CB 3.11Å; C96-C114 PolarHBondContact SG-O 2.91Å; C96-C114 CovalentContact SG-SG 2.04Å; C96-C114 PolarHBondContact SG-SG 3.24Å; S110-C114 WeakPolarHBondContact O-CB 3.4Å; S110-C114 PolarHBondContact O-N 2.97Å; R111-C114 PolarHBondContact O-N 2.72Å; A112-C114 VanDerWaalsContact C-N 3.28Å; A112-C114 PolarHBondContact O-N 2.92Å
115	M	67.3	Low	54.5	Low	116 Å²	116	76.3 Å²	76.3	57%	0.571	46%	0.459	S	S	*	.	H	α-helix	trans	-76.5	-33.3	-179.6	-57	-122.7	70.7	0	0	112.5	C96 R111 A112 G117 A118	C96-M115 HydrophobicContact CB-CE 4.42Å; C96-M115 HydrophobicContact CB-CG 4.09Å; R111-M115 HydrophobicContact CG-CG 4.41Å; R111-M115 WeakPolarHBondContact O-CG 3.44Å; R111-M115 PolarHBondContact O-N 2.88Å; R111-M115 VanDerWaalsContact O-N 3.11Å; A112-M115 PolarHBondContact O-N 2.87Å; A112-M115 VanDerWaalsContact O-N 3.17Å; M115-G117 PolarHBondContact O-N 2.91Å; M115-G117 VanDerWaalsContact O-N 3.08Å; M115-A118 WeakPolarHBondContact O-CB 3.08Å; M115-A118 PolarHBondContact O-N 3.25Å
116	D	62.1	Low	52.5	Low	105 Å²	105	80.1 Å²	80.1	56%	0.561	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.7	-176.1	-100.9	-30.2	0	0	0	115.2	K56 A112 A118	K56-D116 WeakPolarHBondContact CE-OD2 3.42Å; K56-D116 IonicContact NZ-OD2 2.69Å; K56-D116 PolarHBondContact NZ-OD2 2.83Å; A112-D116 PolarHBondContact O-N 3.43Å; D116-A118 VanDerWaalsContact C-N 3.34Å
117	G	52.4	Low	50.1	Low	48 Å²	48	83.2 Å²	83.2	50%	0.495	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.6	175.6	0	0	0	0	0	114.9	Q90 M115 S119	Q90-G117 VanDerWaalsContact NE2-C 3.27Å; Q90-G117 VanDerWaalsContact NE2-CA 3.29Å; M115-G117 PolarHBondContact O-N 2.91Å; M115-G117 VanDerWaalsContact O-N 3.08Å; G117-S119 PolarHBondContact O-N 2.83Å
118	A	39.5	Very low	48	Very low	66 Å²	66	91.1 Å²	91.1	55%	0.545	55%	0.549	S	S	.	.			trans	-79.9	109.4	177.6	0	0	0	0	0	110.9	M115 D116 D120	M115-A118 WeakPolarHBondContact O-CB 3.08Å; M115-A118 PolarHBondContact O-N 3.25Å; D116-A118 VanDerWaalsContact C-N 3.34Å; A118-D120 PolarHBondContact O-N 3.23Å; A118-D120 VanDerWaalsContact O-N 3.08Å
119	S	33.1	Very low	45.6	Very low	115 Å²	115	93.8 Å²	93.8	80%	0.804	57%	0.572	S	S	*	*			trans	-75.3	96.7	178.1	62.5	0	0	0	0	111.7	G117	G117-S119 PolarHBondContact O-N 2.83Å
120	D	29	Very low	43	Very low	167 Å²	167	102.1 Å²	102.1	89%	0.893	61%	0.61	S	S	*	*			trans	-61.6	139.9	172.4	-99.8	-26.3	0	0	0	112	A118	A118-D120 PolarHBondContact O-N 3.23Å; A118-D120 VanDerWaalsContact O-N 3.08Å
121	N	26.9	Very low	40.4	Very low	141 Å²	141	109.4 Å²	109.4	75%	0.754	65%	0.647	S	S	*	*			trans	-153	134.3	-178.4	-158	-14.7	0	0	0	109.8
122	Q	30.1	Very low	38.5	Very low	174 Å²	174	109.1 Å²	109.1	81%	0.813	66%	0.659	S	S	*	*			trans	73.4	139.8	-169.4	-42.7	176.1	17.9	0	0	113.4
123	T	25.5	Very low	36	Very low	126 Å²	126	112.9 Å²	112.9	77%	0.773	67%	0.672	S	S	*	*			cis	-157.7	157.2	4.8	-13.9	0	0	0	0	112.7
124	A	22.7	Very low	33.7	Very low	90 Å²	90	120 Å²	120	74%	0.744	71%	0.705	S	S	*	*			trans	50.2	125.9	153.6	0	0	0	0	0	120.4
125	A	23.3	Very low	31.4	Very low	90 Å²	90	125.4 Å²	125.4	74%	0.744	73%	0.733	S	S	*	*			cis	96.2	117.6	30.1	0	0	0	0	0	115.9
126	L	22.8	Very low	29.7	Very low	182 Å²	182	124.5 Å²	124.5	95%	0.953	74%	0.738	S	S	*	*			trans	167.2	151.8	139	-92.3	162.8	0	0	0	113.6
127	G	23.3	Very low	28.4	Very low	67 Å²	67	124 Å²	124	69%	0.691	74%	0.743	S	S	*	*			trans	93.3	97.5	170.9	0	0	0	0	0	115.1
128	Q	23.6	Very low	27.6	Very low	180 Å²	180	127.3 Å²	127.3	84%	0.841	76%	0.758	S	S	*	*				90.8	108.2	55.1	-73.5	-170.6	-37.9	0	0	116
129	S	21.7	Very low	27.5	Very low	111 Å²	111	130.6 Å²	130.6	78%	0.776	77%	0.771	S	S	*	*			trans	67	152.3	139.5	65.7	0	0	0	0	119.9
130	E	21.6	Very low	27.8	Very low	189 Å²	189	131.6 Å²	131.6	88%	0.883	77%	0.772	S	S	*	*			cis	-135.8	-176.2	17.9	-74.4	-175.3	123.5	0	0	114.7
131	L	22.5	Very low	28.3	Very low	166 Å²	166	128.2 Å²	128.2	87%	0.869	77%	0.768	S	S	*	*			trans	-108.6	-166.4	176.8	-88.3	167.5	0	0	0	109.4
132	P	36.5	Very low	29.1	Very low	98 Å²	98	128.4 Å²	128.4	64%	0.636	77%	0.774	S	S	*	*			cis	-148	-163.9	14.8	44.9	-22.7	0	0	0	118.9
133	N	23	Very low	29.7	Very low	133 Å²	133	123.5 Å²	123.5	71%	0.711	77%	0.77	S	S	*	*			trans	95.2	144.8	167.9	-57.5	-26.2	0	0	0	115.8
134	Q	27.1	Very low	30.9	Very low	155 Å²	155	124.2 Å²	124.2	72%	0.724	77%	0.774	S	S	*	*			cis	-167.6	164.8	-9.8	-114.4	-173.4	-64	0	0	108.3
135	D	24.7	Very low	32.1	Very low	114 Å²	114	126.7 Å²	126.7	61%	0.61	77%	0.774	S	S	*	*			cis	-160.9	165.4	-6.6	-158	-74.8	0	0	0	109.7
136	S	32.1	Very low	33.5	Very low	97 Å²	97	127.8 Å²	127.8	68%	0.678	77%	0.774	S	S	*	*			trans	66.2	161.3	152.9	-84.1	0	0	0	0	121.9
137	S	34.4	Very low	35	Very low	96 Å²	96	125 Å²	125	67%	0.671	77%	0.769	S	S	*	*			cis	-169.6	137.9	-27.5	-98.6	0	0	0	0	112.6
138	S	36.7	Very low	36.6	Very low	116 Å²	116	131.5 Å²	131.5	81%	0.811	78%	0.778	S	S	*	*			trans	64.7	169.5	163.5	71.7	0	0	0	0	118.3
139	V	36.6	Very low	38.1	Very low	135 Å²	135	126.3 Å²	126.3	82%	0.818	77%	0.772	S	S	*	*			cis	-135.8	-175.5	4.6	-141	0	0	0	0	111.2
140	V	39.3	Very low	40.2	Very low	136 Å²	136	128.7 Å²	128.7	82%	0.824	77%	0.769	S	S	*	*			trans	-147.8	143.3	-169.8	-170.5	0	0	0	0	114.3
141	A	38.9	Very low	42.1	Very low	96 Å²	96	121 Å²	121	79%	0.793	74%	0.736	S	S	*	*			trans	-160.9	142.7	166.5	0	0	0	0	0	114.1
142	V	43.8	Very low	44.2	Very low	145 Å²	145	117.3 Å²	117.3	88%	0.879	72%	0.717	S	S	*	*			trans	-158.9	158.1	-175.8	-176.4	0	0	0	0	112.3
143	G	42.9	Very low	45.8	Very low	71 Å²	71	115.3 Å²	115.3	73%	0.732	70%	0.699	S	S	*	*			trans	176.7	147.3	164	0	0	0	0	0	117.9
144	V	50.6	Low	48	Very low	142 Å²	142	111.9 Å²	111.9	86%	0.861	68%	0.682	S	S	*	*			trans	-154.8	172.2	-171.3	-173.8	0	0	0	0	113.9
145	D	48.8	Very low	49.9	Very low	141 Å²	141	108.4 Å²	108.4	75%	0.754	67%	0.674	S	S	*	*			trans	86	160.9	162.4	-134.4	38	0	0	0	115.9
146	P	52.3	Low	51.7	Low	114 Å²	114	107 Å²	107	74%	0.74	67%	0.67	S	S	*	*			cis	-139.5	145	6.5	41.2	-21.7	0	0	0	120.2
147	C	54	Low	52.9	Low	124 Å²	124	104.7 Å²	104.7	84%	0.838	66%	0.662	S	S	*	*			trans	-156.2	139	147.7	-160.9	0	0	0	0	110	G149	C147-G149 PolarHBondContact O-N 2.02Å
148	K	57.4	Low	54	Low	202 Å²	202	106.5 Å²	106.5	88%	0.878	67%	0.674	S	S	*	*			trans	-80.1	41.8	-165.8	-70.3	-163.9	174.8	-174.6	0	116.4	K150	K148-K150 WeakPolarHBondContact O-CG 3.37Å; K148-K150 PolarHBondContact O-N 3.49Å
149	G	55.9	Low	55	Low	71 Å²	71	106.2 Å²	106.2	73%	0.732	66%	0.663	S	S	*	*			trans	23.7	75.3	161.5	0	0	0	0	0	118	C147	C147-G149 PolarHBondContact O-N 2.02Å
150	K	64.8	Low	56.2	Low	162 Å²	162	102.9 Å²	102.9	70%	0.704	65%	0.646	S	S	*	*			trans	-131.2	0.1	179.9	-86.2	-176.5	176.6	-169	0	116	K148	K148-K150 WeakPolarHBondContact O-CG 3.37Å; K148-K150 PolarHBondContact O-N 3.49Å
151	C	62.6	Low	57.7	Low	27 Å²	27	97 Å²	97	18%	0.182	61%	0.611	C	S	.	*	S	Bend	trans	-139.9	140.4	163	-67.2	0	0	0	0	105.8	C155 C161	C151-C155 HydrophobicContact CB-CB 4.41Å; C151-C161 VanDerWaalsContact CA-SG 3.52Å; C151-C161 HydrophobicContact CB-CB 3.66Å; C151-C161 WeakPolarHBondContact CB-SG 3.38Å; C151-C161 VanDerWaalsContact SG-CA 3.56Å; C151-C161 WeakPolarHBondContact SG-CB 3.45Å; C151-C161 CovalentContact SG-SG 2.03Å; C151-C161 PolarHBondContact SG-SG 2.76Å
152	D	66.2	Low	59.2	Low	89 Å²	89	94.3 Å²	94.3	48%	0.476	59%	0.589	S	S	.	*	S	Bend	trans	-74	-35.3	-174.3	-61.6	-16.8	0	0	0	112.9	S175 C176	D152-S175 PolarHBondContact OD1-OG 2.89Å; D152-S175 WeakPolarHBondContact OD2-CA 3.21Å; D152-S175 WeakPolarHBondContact OD2-CB 3.25Å; D152-S175 PolarHBondContact OD2-OG 3.46Å; D152-C176 PolarHBondContact OD2-N 3.33Å; D152-C176 VanDerWaalsContact OD2-N 3.07Å
153	H	69.8	Low	60.6	Low	55 Å²	55	89 Å²	89	26%	0.255	56%	0.558	S	S	.	*	S	Bend	trans	-117.3	-85	-177.6	-67	137.9	0	0	0	113.6	M164 Y167 C176	H153-M164 HydrophobicContact CB-CE 4.08Å; H153-M164 HydrophobicContact CB-CG 4.33Å; H153-Y167 AromaticContact CE1-CD1 3.33Å; H153-Y167 WeakPolarHBondContact CE1-CD1 3.31Å; H153-Y167 AromaticContact CE1-CD2 3.9Å; H153-Y167 AromaticContact CE1-CE1 3.26Å; H153-Y167 WeakPolarHBondContact CE1-CE1 3.48Å; H153-Y167 AromaticContact CE1-CE2 3.84Å; H153-Y167 AromaticContact CE1-CG 3.64Å; H153-Y167 AromaticContact CE1-CZ 3.51Å; H153-Y167 AromaticContact ND1-CG 3.93Å; H153-Y167 AromaticContact NE2-CE1 3.77Å; H153-Y167 AromaticContact NE2-CZ 3.7Å; H153-C176 WeakPolarHBondContact ND1-CB 3.25Å; H153-C176 PolarHBondContact ND1-SG 3.02Å; H153-C176 VanDerWaalsContact ND1-SG 3.38Å
154	V	69.4	Low	61.8	Low	61 Å²	61	90 Å²	90	37%	0.37	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.6	-173.4	-169.9	0	0	0	0	110.2	V156 A162 M164	V154-V156 HydrophobicContact CB-CG2 4.26Å; V154-V156 HydrophobicContact CG1-CG2 3.66Å; V154-V156 PolarHBondContact O-N 2.97Å; V154-A162 PolarHBondContact N-O 2.98Å; V154-A162 VanDerWaalsContact N-O 3.16Å; V154-A162 PolarHBondContact O-N 2.59Å; V154-M164 HydrophobicContact CG2-CG 3.78Å; V154-M164 HydrophobicContact CG2-SD 4.31Å
155	C	66.7	Low	62.7	Low	82 Å²	82	93.2 Å²	93.2	55%	0.554	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	112.6	169.2	-169.9	0	0	0	0	108.8	C151 G157	C151-C155 HydrophobicContact CB-CB 4.41Å; C155-G157 PolarHBondContact SG-O 2.92Å; C155-G157 VanDerWaalsContact SG-O 3.38Å
156	V	62.3	Low	63.7	Low	84 Å²	84	87.1 Å²	87.1	51%	0.509	52%	0.517	S	S	.	.			trans	-114.6	89.1	-176.6	-175.7	0	0	0	0	108.4	V154 S160 A162	V154-V156 HydrophobicContact CB-CG2 4.26Å; V154-V156 HydrophobicContact CG1-CG2 3.66Å; V154-V156 PolarHBondContact O-N 2.97Å; V156-S160 CarbonylContact C-O 3.45Å; V156-S160 PolarHBondContact N-O 2.71Å; V156-S160 PolarHBondContact O-OG 3.26Å; V156-A162 HydrophobicContact CB-CB 4.37Å; V156-A162 HydrophobicContact CG2-CB 3.73Å
157	G	57.3	Low	64.7	Low	50 Å²	50	83.2 Å²	83.2	52%	0.515	49%	0.488	S	S	.	.	S	Bend	trans	88.5	171.2	-173.4	0	0	0	0	0	113.2	C155 D159	C155-G157 PolarHBondContact SG-O 2.92Å; C155-G157 VanDerWaalsContact SG-O 3.38Å; G157-D159 VanDerWaalsContact C-N 3.31Å; G157-D159 PolarHBondContact O-N 2.75Å
158	S	56.8	Low	65.5	Low	133 Å²	133	84.5 Å²	84.5	93%	0.93	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-1.1	-153.5	53.8	0	0	0	0	117.9
159	D	59.3	Low	66.4	Low	110 Å²	110	78.6 Å²	78.6	59%	0.588	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-162.2	30.3	162.6	-142.6	-9.2	0	0	0	112.8	G157 R174	G157-D159 VanDerWaalsContact C-N 3.31Å; G157-D159 PolarHBondContact O-N 2.75Å; D159-R174 VanDerWaalsContact CG-NH2 3.31Å; D159-R174 IonicContact OD1-CZ 2.71Å; D159-R174 IonicContact OD1-NH1 2.75Å; D159-R174 PolarHBondContact OD1-NH1 2.93Å; D159-R174 VanDerWaalsContact OD1-NH1 3.1Å; D159-R174 IonicContact OD1-NH2 3.47Å; D159-R174 PolarHBondContact OD1-NH2 3.29Å; D159-R174 IonicContact OD2-NH2 3.26Å; D159-R174 PolarHBondContact OD2-NH2 3.3Å
160	S	60.5	Low	67.2	Low	65 Å²	65	78.5 Å²	78.5	46%	0.455	43%	0.432	S	S	.	.			trans	-124.8	120.2	-176	41.6	0	0	0	0	112.5	V156	V156-S160 CarbonylContact C-O 3.45Å; V156-S160 PolarHBondContact N-O 2.71Å; V156-S160 PolarHBondContact O-OG 3.26Å
161	C	71.5	Confident	67.5	Low	14 Å²	14	77.8 Å²	77.8	10%	0.095	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	142.7	-178.6	-49.6	0	0	0	0	111.3	C151 L169 R174	C151-C161 VanDerWaalsContact CA-SG 3.52Å; C151-C161 HydrophobicContact CB-CB 3.66Å; C151-C161 WeakPolarHBondContact CB-SG 3.38Å; C151-C161 VanDerWaalsContact SG-CA 3.56Å; C151-C161 WeakPolarHBondContact SG-CB 3.45Å; C151-C161 CovalentContact SG-SG 2.03Å; C151-C161 PolarHBondContact SG-SG 2.76Å; C161-L169 HydrophobicContact CB-CD1 4.49Å; C161-R174 WeakPolarHBondContact CB-O 3.07Å
162	A	70.1	Confident	67.7	Low	38 Å²	38	80.9 Å²	80.9	31%	0.314	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	147	172.9	0	0	0	0	0	110.7	V154 V156	V154-A162 PolarHBondContact N-O 2.98Å; V154-A162 VanDerWaalsContact N-O 3.16Å; V154-A162 PolarHBondContact O-N 2.59Å; V156-A162 HydrophobicContact CB-CB 4.37Å; V156-A162 HydrophobicContact CG2-CB 3.73Å
163	C	73.6	Confident	67.6	Low	34 Å²	34	78.3 Å²	78.3	23%	0.23	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-93.8	146.1	180	-56.3	0	0	0	0	111.4	R168 L169 C176	C163-R168 VanDerWaalsContact SG-C 3.57Å; C163-L169 WeakPolarHBondContact SG-CA 3.5Å; C163-L169 VanDerWaalsContact SG-CD1 3.54Å; C163-L169 PolarHBondContact SG-N 2.76Å; C163-C176 WeakPolarHBondContact CA-SG 3.39Å; C163-C176 HydrophobicContact CB-CB 3.98Å; C163-C176 WeakPolarHBondContact CB-SG 3.35Å; C163-C176 WeakPolarHBondContact SG-CB 3.37Å; C163-C176 CovalentContact SG-SG 2.04Å; C163-C176 PolarHBondContact SG-SG 3.43Å
164	M	69	Low	67.5	Low	92 Å²	92	80.4 Å²	80.4	45%	0.453	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-69.6	159	172.5	-65.9	-174	-73.9	0	0	110.5	H153 V154 G166 Y167	H153-M164 HydrophobicContact CB-CE 4.08Å; H153-M164 HydrophobicContact CB-CG 4.33Å; V154-M164 HydrophobicContact CG2-CG 3.78Å; V154-M164 HydrophobicContact CG2-SD 4.31Å; M164-G166 PolarHBondContact O-N 2.82Å; M164-Y167 HydrophobicContact CB-CD2 4.16Å; M164-Y167 WeakPolarHBondContact O-CB 3.48Å; M164-Y167 PolarHBondContact O-N 3.16Å
165	K	69.1	Low	67.5	Low	209 Å²	209	79 Å²	79	91%	0.909	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	132.8	175.3	-171.3	-177.2	178.1	-170.7	0	109.2
166	G	68.3	Low	68	Low	13 Å²	13	75.7 Å²	75.7	13%	0.134	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.3	-12.6	-167.3	0	0	0	0	0	113.5	M164 I179	M164-G166 PolarHBondContact O-N 2.82Å; G166-I179 VanDerWaalsContact O-CB 3.28Å; G166-I179 WeakPolarHBondContact O-CB 3Å; G166-I179 WeakPolarHBondContact O-CG1 3.47Å; G166-I179 PolarHBondContact O-N 3.32Å
167	Y	74.3	Confident	68.6	Low	33 Å²	33	74.9 Å²	74.9	13%	0.129	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.4	180	-62	-93.8	0	0	0	112.2	H153 M164 E177 D178 E199 G200	H153-Y167 AromaticContact CE1-CD1 3.33Å; H153-Y167 WeakPolarHBondContact CE1-CD1 3.31Å; H153-Y167 AromaticContact CE1-CD2 3.9Å; H153-Y167 AromaticContact CE1-CE1 3.26Å; H153-Y167 WeakPolarHBondContact CE1-CE1 3.48Å; H153-Y167 AromaticContact CE1-CE2 3.84Å; H153-Y167 AromaticContact CE1-CG 3.64Å; H153-Y167 AromaticContact CE1-CZ 3.51Å; H153-Y167 AromaticContact ND1-CG 3.93Å; H153-Y167 AromaticContact NE2-CE1 3.77Å; H153-Y167 AromaticContact NE2-CZ 3.7Å; M164-Y167 HydrophobicContact CB-CD2 4.16Å; M164-Y167 WeakPolarHBondContact O-CB 3.48Å; M164-Y167 PolarHBondContact O-N 3.16Å; Y167-E177 CarbonylContact C-O 3.55Å; Y167-E177 VanDerWaalsContact CA-O 3.3Å; Y167-E177 WeakPolarHBondContact CA-O 3.26Å; Y167-D178 HydrophobicContact CD1-CB 4.13Å; Y167-D178 HydrophobicContact CE1-CB 4.1Å; Y167-E199 HydrophobicContact CE1-CG 4.08Å; Y167-E199 VanDerWaalsContact OH-CB 3.22Å; Y167-E199 WeakPolarHBondContact OH-CB 3.49Å; Y167-E199 PolarHBondContact OH-O 3.17Å; Y167-G200 VanDerWaalsContact CZ-CA 3.5Å; Y167-G200 VanDerWaalsContact CZ-N 3.34Å; Y167-G200 PolarHBondContact OH-N 2.93Å
168	R	71.7	Confident	69.6	Low	151 Å²	151	74.6 Å²	74.6	57%	0.57	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	147.9	170.7	66.7	-177.1	-167.9	-170.4	1.8	111.5	C163 C176 E177 I179	C163-R168 VanDerWaalsContact SG-C 3.57Å; R168-C176 WeakPolarHBondContact O-CA 3.3Å; R168-E177 HydrophobicContact CG-CG 3.75Å; R168-E177 IonicContact CZ-OE1 3.94Å; R168-E177 PolarHBondContact N-O 3.23Å; R168-E177 IonicContact NE-OE1 3.86Å; R168-E177 PolarHBondContact NE-OE1 3.18Å; R168-E177 IonicContact NH2-OE1 3.19Å; R168-E177 PolarHBondContact NH2-OE1 2.97Å; R168-E177 PolarHBondContact O-N 2.9Å; R168-I179 HydrophobicContact CB-CD1 4.13Å; R168-I179 HydrophobicContact CB-CG1 4.14Å; R168-I179 HydrophobicContact CG-CG1 4.19Å
169	L	75.6	Confident	70.5	Confident	77 Å²	77	70.9 Å²	70.9	40%	0.403	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	136.2	178.1	-165.3	73.7	0	0	0	109.9	C161 C163 S175	C161-L169 HydrophobicContact CB-CD1 4.49Å; C163-L169 WeakPolarHBondContact SG-CA 3.5Å; C163-L169 VanDerWaalsContact SG-CD1 3.54Å; C163-L169 PolarHBondContact SG-N 2.76Å; L169-S175 WeakPolarHBondContact CD1-O 3.22Å
170	K	73.2	Confident	71.3	Confident	70 Å²	70	67.9 Å²	67.9	30%	0.304	36%	0.36	S	S	.	.			trans	-75.1	162.4	175.9	-70.5	-179.6	-174.8	167.2	0	111.6	D172 G173 S175 E177	K170-D172 WeakPolarHBondContact CB-OD2 3.36Å; K170-D172 PolarHBondContact O-N 2.99Å; K170-G173 PolarHBondContact O-N 3.37Å; K170-S175 WeakPolarHBondContact CB-O 3.28Å; K170-S175 PolarHBondContact N-O 3.39Å; K170-E177 WeakPolarHBondContact CE-OE2 3.28Å; K170-E177 HydrophobicContact CG-CB 4.48Å; K170-E177 HydrophobicContact CG-CG 3.95Å
171	P	69.7	Low	72.1	Confident	146 Å²	146	66.3 Å²	66.3	95%	0.948	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.3	177.8	-24.2	35.4	0	0	0	115.2	G173	P171-G173 PolarHBondContact O-N 2.04Å
172	D	66.8	Low	72.3	Confident	93 Å²	93	67.3 Å²	67.3	50%	0.497	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.1	171.8	55.7	56.6	0	0	0	114.1	K170 R174 S175	K170-D172 WeakPolarHBondContact CB-OD2 3.36Å; K170-D172 PolarHBondContact O-N 2.99Å; D172-R174 PolarHBondContact O-N 3.25Å; D172-R174 PolarHBondContact OD1-N 2.79Å; D172-S175 PolarHBondContact OD1-N 3.49Å
173	G	65.4	Low	72.5	Confident	35 Å²	35	72.5 Å²	72.5	36%	0.361	37%	0.374	S	S	.	.	S	Bend	trans	71.2	9.6	177.3	0	0	0	0	0	115.3	K170 P171	K170-G173 PolarHBondContact O-N 3.37Å; P171-G173 PolarHBondContact O-N 2.04Å
174	R	66.6	Low	72.2	Confident	98 Å²	98	76.6 Å²	76.6	37%	0.37	39%	0.393	S	S	.	.	S	Bend	trans	-129.9	-36.3	-176.4	-67.9	-174.9	176	-106.9	-7.4	113.9	D159 C161 D172	D159-R174 VanDerWaalsContact CG-NH2 3.31Å; D159-R174 IonicContact OD1-CZ 2.71Å; D159-R174 IonicContact OD1-NH1 2.75Å; D159-R174 PolarHBondContact OD1-NH1 2.93Å; D159-R174 VanDerWaalsContact OD1-NH1 3.1Å; D159-R174 IonicContact OD1-NH2 3.47Å; D159-R174 PolarHBondContact OD1-NH2 3.29Å; D159-R174 IonicContact OD2-NH2 3.26Å; D159-R174 PolarHBondContact OD2-NH2 3.3Å; C161-R174 WeakPolarHBondContact CB-O 3.07Å; D172-R174 PolarHBondContact O-N 3.25Å; D172-R174 PolarHBondContact OD1-N 2.79Å
175	S	69.6	Low	71.8	Confident	32 Å²	32	75.3 Å²	75.3	22%	0.224	40%	0.404	C	S	.	.			trans	-99.2	149.2	-176.1	-85.9	0	0	0	0	113.1	D152 L169 K170 D172	D152-S175 PolarHBondContact OD1-OG 2.89Å; D152-S175 WeakPolarHBondContact OD2-CA 3.21Å; D152-S175 WeakPolarHBondContact OD2-CB 3.25Å; D152-S175 PolarHBondContact OD2-OG 3.46Å; L169-S175 WeakPolarHBondContact CD1-O 3.22Å; K170-S175 WeakPolarHBondContact CB-O 3.28Å; K170-S175 PolarHBondContact N-O 3.39Å; D172-S175 PolarHBondContact OD1-N 3.49Å
176	C	77.1	Confident	71.4	Confident	13 Å²	13	68.8 Å²	68.8	9%	0.088	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	149.2	178.5	-64.8	0	0	0	0	110.6	D152 H153 C163 R168	D152-C176 PolarHBondContact OD2-N 3.33Å; D152-C176 VanDerWaalsContact OD2-N 3.07Å; H153-C176 WeakPolarHBondContact ND1-CB 3.25Å; H153-C176 PolarHBondContact ND1-SG 3.02Å; H153-C176 VanDerWaalsContact ND1-SG 3.38Å; C163-C176 WeakPolarHBondContact CA-SG 3.39Å; C163-C176 HydrophobicContact CB-CB 3.98Å; C163-C176 WeakPolarHBondContact CB-SG 3.35Å; C163-C176 WeakPolarHBondContact SG-CB 3.37Å; C163-C176 CovalentContact SG-SG 2.04Å; C163-C176 PolarHBondContact SG-SG 3.43Å; R168-C176 WeakPolarHBondContact O-CA 3.3Å
177	E	75.7	Confident	71.2	Confident	66 Å²	66	69.8 Å²	69.8	31%	0.308	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.5	165.5	51.2	-177	-141.5	0	0	111	Y167 R168 K170	Y167-E177 CarbonylContact C-O 3.55Å; Y167-E177 VanDerWaalsContact CA-O 3.3Å; Y167-E177 WeakPolarHBondContact CA-O 3.26Å; R168-E177 HydrophobicContact CG-CG 3.75Å; R168-E177 IonicContact CZ-OE1 3.94Å; R168-E177 PolarHBondContact N-O 3.23Å; R168-E177 IonicContact NE-OE1 3.86Å; R168-E177 PolarHBondContact NE-OE1 3.18Å; R168-E177 IonicContact NH2-OE1 3.19Å; R168-E177 PolarHBondContact NH2-OE1 2.97Å; R168-E177 PolarHBondContact O-N 2.9Å; K170-E177 WeakPolarHBondContact CE-OE2 3.28Å; K170-E177 HydrophobicContact CG-CB 4.48Å; K170-E177 HydrophobicContact CG-CG 3.95Å
178	D	77.4	Confident	70.7	Confident	44 Å²	44	75.5 Å²	75.5	24%	0.235	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	141.6	179.4	176.5	67.7	0	0	0	112	Y167 N180 N197 G200	Y167-D178 HydrophobicContact CD1-CB 4.13Å; Y167-D178 HydrophobicContact CE1-CB 4.1Å; D178-N180 PolarHBondContact O-N 2.9Å; D178-N197 PolarHBondContact OD2-ND2 3.38Å; D178-G200 WeakPolarHBondContact OD1-CA 3.4Å; D178-G200 PolarHBondContact OD1-N 3.47Å
179	I	76.8	Confident	70.6	Confident	56 Å²	56	70 Å²	70	29%	0.287	41%	0.406	S	S	.	.			trans	-96.2	89.4	176.3	-57.8	171.9	0	0	0	108	G166 R168 E181 L184	G166-I179 VanDerWaalsContact O-CB 3.28Å; G166-I179 WeakPolarHBondContact O-CB 3Å; G166-I179 WeakPolarHBondContact O-CG1 3.47Å; G166-I179 PolarHBondContact O-N 3.32Å; R168-I179 HydrophobicContact CB-CD1 4.13Å; R168-I179 HydrophobicContact CB-CG1 4.14Å; R168-I179 HydrophobicContact CG-CG1 4.19Å; I179-E181 WeakPolarHBondContact O-CG 3.4Å; I179-E181 PolarHBondContact O-N 3Å; I179-L184 HydrophobicContact CG2-CD1 3.53Å
180	N	75.1	Confident	70.1	Confident	47 Å²	47	75.8 Å²	75.8	25%	0.251	42%	0.423	S	S	.	.			trans	-63.1	98.8	-174.6	-174.4	-45.4	0	0	0	112.8	D178 C182 L183 L184 N197	D178-N180 PolarHBondContact O-N 2.9Å; N180-C182 VanDerWaalsContact C-N 3.33Å; N180-C182 PolarHBondContact O-N 2.81Å; N180-C182 PolarHBondContact OD1-N 3.09Å; N180-L183 HydrophobicContact CB-CB 4.39Å; N180-L183 HydrophobicContact CB-CD1 4.29Å; N180-L183 PolarHBondContact O-N 2.9Å; N180-L183 WeakPolarHBondContact OD1-CG 3.43Å; N180-L183 PolarHBondContact OD1-N 2.84Å; N180-L184 WeakPolarHBondContact O-CG 3.48Å; N180-L184 PolarHBondContact O-N 2.04Å; N180-N197 WeakPolarHBondContact CA-OD1 3.5Å; N180-N197 VanDerWaalsContact CG-OD1 3.26Å; N180-N197 PolarHBondContact ND2-ND2 3.18Å; N180-N197 PolarHBondContact OD1-OD1 3.27Å
181	E	78.8	Confident	69.1	Low	31 Å²	31	76.6 Å²	76.6	15%	0.145	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-22.4	-174	-57.7	111.2	151.1	0	0	113	I179 L183 G185 S186 S187 N197 S201 F202	I179-E181 WeakPolarHBondContact O-CG 3.4Å; I179-E181 PolarHBondContact O-N 3Å; E181-L183 VanDerWaalsContact C-N 3.32Å; E181-G185 PolarHBondContact O-N 2.93Å; E181-S186 PolarHBondContact O-N 2.73Å; E181-S187 PolarHBondContact O-N 2.96Å; E181-N197 PolarHBondContact N-OD1 3.25Å; E181-S201 VanDerWaalsContact OE2-C 3.29Å; E181-S201 WeakPolarHBondContact OE2-CA 3.46Å; E181-F202 HydrophobicContact CB-CB 4.46Å; E181-F202 HydrophobicContact CB-CD1 3.65Å; E181-F202 HydrophobicContact CB-CE1 4.3Å; E181-F202 HydrophobicContact CB-CG 4.33Å; E181-F202 HydrophobicContact CG-CD1 4.08Å; E181-F202 WeakPolarHBondContact OE2-CD1 3.47Å; E181-F202 PolarHBondContact OE2-N 2.04Å
182	C	74.8	Confident	68.7	Low	35 Å²	35	73 Å²	73	24%	0.236	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-34.2	172.5	-59.6	0	0	0	0	111.6	N180 C195 N197	N180-C182 VanDerWaalsContact C-N 3.33Å; N180-C182 PolarHBondContact O-N 2.81Å; N180-C182 PolarHBondContact OD1-N 3.09Å; C182-C195 HydrophobicContact CB-CB 3.95Å; C182-C195 WeakPolarHBondContact CB-SG 3.24Å; C182-C195 WeakPolarHBondContact SG-CB 3.13Å; C182-C195 CovalentContact SG-SG 2.04Å; C182-C195 PolarHBondContact SG-SG 3.08Å; C182-N197 HydrophobicContact CB-CB 4.49Å; C182-N197 PolarHBondContact SG-N 3.47Å
183	L	74	Confident	68.8	Low	147 Å²	147	71.4 Å²	71.4	77%	0.77	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-29.7	176.9	-72.9	177.2	0	0	0	113.3	N180 E181 G185	N180-L183 HydrophobicContact CB-CB 4.39Å; N180-L183 HydrophobicContact CB-CD1 4.29Å; N180-L183 PolarHBondContact O-N 2.9Å; N180-L183 WeakPolarHBondContact OD1-CG 3.43Å; N180-L183 PolarHBondContact OD1-N 2.84Å; E181-L183 VanDerWaalsContact C-N 3.32Å; L183-G185 VanDerWaalsContact C-N 3.26Å; L183-G185 PolarHBondContact O-N 2.79Å
184	L	67.4	Low	69	Low	120 Å²	120	76.9 Å²	76.9	63%	0.628	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-3.5	177.7	-68.5	170	0	0	0	113.6	I179 N180 S186	I179-L184 HydrophobicContact CG2-CD1 3.53Å; N180-L184 WeakPolarHBondContact O-CG 3.48Å; N180-L184 PolarHBondContact O-N 2.04Å; L184-S186 PolarHBondContact O-N 2.85Å
185	G	60.4	Low	69.3	Low	66 Å²	66	74 Å²	74	68%	0.68	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	12.4	178.4	0	0	0	0	0	114.4	E181 L183	E181-G185 PolarHBondContact O-N 2.93Å; L183-G185 VanDerWaalsContact C-N 3.26Å; L183-G185 PolarHBondContact O-N 2.79Å
186	S	61.1	Low	69.5	Low	71 Å²	71	74.9 Å²	74.9	50%	0.497	44%	0.436	S	S	.	.			trans	-94.4	4.7	179.4	52.3	0	0	0	0	113.8	E181 L184 N188	E181-S186 PolarHBondContact O-N 2.73Å; L184-S186 PolarHBondContact O-N 2.85Å; S186-N188 PolarHBondContact O-N 2.85Å
187	S	63.1	Low	69.1	Low	34 Å²	34	76.4 Å²	76.4	24%	0.238	44%	0.443	C	S	.	.			trans	-74.2	114	178.6	56.6	0	0	0	0	112.5	E181 C189 C195	E181-S187 PolarHBondContact O-N 2.96Å; S187-C189 PolarHBondContact O-N 3.09Å; S187-C195 WeakPolarHBondContact CB-SG 3.21Å
188	N	65.1	Low	68.9	Low	154 Å²	154	75.8 Å²	75.8	82%	0.824	44%	0.444	S	S	*	.			trans	-85.9	36.6	-170.4	-151.5	32.1	0	0	0	114.1	S186 F202	S186-N188 PolarHBondContact O-N 2.85Å; N188-F202 HydrophobicContact CB-CZ 4.22Å; N188-F202 VanDerWaalsContact N-CE2 3.32Å; N188-F202 VanDerWaalsContact N-CZ 3.29Å
189	C	68.6	Low	68.5	Low	35 Å²	35	81.2 Å²	81.2	24%	0.236	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-77	156.5	-178.6	-59	0	0	0	0	112.6	S187 E193 C204	S187-C189 PolarHBondContact O-N 3.09Å; C189-E193 HydrophobicContact CB-CB 4.41Å; C189-C204 WeakPolarHBondContact CA-SG 3.02Å; C189-C204 HydrophobicContact CB-CB 3.78Å; C189-C204 WeakPolarHBondContact CB-SG 3.25Å; C189-C204 WeakPolarHBondContact SG-CB 3.26Å; C189-C204 CovalentContact SG-SG 2.04Å; C189-C204 PolarHBondContact SG-SG 3.48Å
190	R	65.7	Low	68.1	Low	199 Å²	199	79.3 Å²	79.3	75%	0.751	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-85.6	155.8	175.4	-62.1	-174.6	174	-152.9	0.2	111.7	G192 E193	R190-G192 PolarHBondContact O-N 3Å; R190-E193 PolarHBondContact N-OE2 3.13Å; R190-E193 WeakPolarHBondContact O-CB 3.43Å; R190-E193 PolarHBondContact O-N 3.12Å
191	G	52.8	Low	68	Low	87 Å²	87	79.8 Å²	79.8	90%	0.897	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	123.4	175.3	0	0	0	0	0	111.6
192	G	60.5	Low	68	Low	70 Å²	70	80.7 Å²	80.7	72%	0.722	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.4	6.5	-172.5	0	0	0	0	0	114.8	R190	R190-G192 PolarHBondContact O-N 3Å
193	E	68.4	Low	67.9	Low	59 Å²	59	84.9 Å²	84.9	28%	0.276	48%	0.484	S	S	.	.			trans	-112.4	140.5	169.2	-65.5	159.5	-173	0	0	110.1	C189 R190 C204 M205 R206	C189-E193 HydrophobicContact CB-CB 4.41Å; R190-E193 PolarHBondContact N-OE2 3.13Å; R190-E193 WeakPolarHBondContact O-CB 3.43Å; R190-E193 PolarHBondContact O-N 3.12Å; E193-C204 HydrophobicContact CB-CB 4.13Å; E193-M205 CarbonylContact C-O 3.55Å; E193-M205 WeakPolarHBondContact CA-O 3.44Å; E193-R206 HydrophobicContact CG-CG 4.22Å
194	R	69.4	Low	67.8	Low	150 Å²	150	80.2 Å²	80.2	57%	0.566	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	124.7	175.7	-173.8	166.7	-177.6	163.8	0.9	110.4	I196 C204 M205 E207	R194-I196 HydrophobicContact CG-CG1 4.43Å; R194-I196 PolarHBondContact O-N 3.25Å; R194-C204 WeakPolarHBondContact O-CA 3.34Å; R194-M205 PolarHBondContact N-O 3.41Å; R194-M205 PolarHBondContact O-N 3.18Å; R194-E207 WeakPolarHBondContact CD-OE1 3.38Å; R194-E207 IonicContact CZ-OE1 3.96Å; R194-E207 IonicContact NE-OE1 3.7Å; R194-E207 IonicContact NH1-OE1 3.5Å; R194-E207 PolarHBondContact NH1-OE1 2.95Å
195	C	73.3	Confident	67.5	Low	37 Å²	37	78.3 Å²	78.3	25%	0.25	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	122.4	168.4	-163.9	0	0	0	0	109.1	C182 S187	C182-C195 HydrophobicContact CB-CB 3.95Å; C182-C195 WeakPolarHBondContact CB-SG 3.24Å; C182-C195 WeakPolarHBondContact SG-CB 3.13Å; C182-C195 CovalentContact SG-SG 2.04Å; C182-C195 PolarHBondContact SG-SG 3.08Å; S187-C195 WeakPolarHBondContact CB-SG 3.21Å
196	I	74.6	Confident	67.5	Low	52 Å²	52	83.8 Å²	83.8	27%	0.267	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.3	169.4	-58.6	178.4	0	0	0	106.6	R194 R203 M205	R194-I196 HydrophobicContact CG-CG1 4.43Å; R194-I196 PolarHBondContact O-N 3.25Å; I196-R203 HydrophobicContact CB-CG 4.44Å; I196-R203 PolarHBondContact N-O 3.22Å; I196-R203 PolarHBondContact O-N 3.11Å; I196-M205 HydrophobicContact CD1-CB 4.49Å; I196-M205 HydrophobicContact CD1-CE 4.1Å
197	N	68.5	Low	67.2	Low	44 Å²	44	86.8 Å²	86.8	24%	0.235	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.2	174.5	-161.4	77.8	0	0	0	109.4	D178 N180 E181 C182	D178-N197 PolarHBondContact OD2-ND2 3.38Å; N180-N197 WeakPolarHBondContact CA-OD1 3.5Å; N180-N197 VanDerWaalsContact CG-OD1 3.26Å; N180-N197 PolarHBondContact ND2-ND2 3.18Å; N180-N197 PolarHBondContact OD1-OD1 3.27Å; E181-N197 PolarHBondContact N-OD1 3.25Å; C182-N197 HydrophobicContact CB-CB 4.49Å; C182-N197 PolarHBondContact SG-N 3.47Å
198	T	70.5	Confident	67	Low	54 Å²	54	91.6 Å²	91.6	33%	0.331	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	163.6	175	44.8	0	0	0	0	109.4	G200 S201 R203	T198-G200 PolarHBondContact O-N 3.41Å; T198-S201 CarbonylContact C-O 3.59Å; T198-S201 VanDerWaalsContact C-O 3.27Å; T198-S201 VanDerWaalsContact CA-O 3.31Å; T198-S201 WeakPolarHBondContact CA-O 3.21Å; T198-S201 WeakPolarHBondContact CB-O 3.48Å; T198-S201 PolarHBondContact N-O 3.04Å; T198-S201 CarbonylContact O-C 3.41Å; T198-S201 PolarHBondContact O-N 3.35Å; T198-S201 PolarHBondContact OG1-O 2.7Å; T198-R203 HydrophobicContact CG2-CG 4.42Å
199	E	69.8	Low	66.7	Low	157 Å²	157	89.4 Å²	89.4	73%	0.734	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	105.9	-173.8	-118.6	-176.8	143.8	0	0	111.4	Y167	Y167-E199 HydrophobicContact CE1-CG 4.08Å; Y167-E199 VanDerWaalsContact OH-CB 3.22Å; Y167-E199 WeakPolarHBondContact OH-CB 3.49Å; Y167-E199 PolarHBondContact OH-O 3.17Å
200	G	67.9	Low	66.4	Low	16 Å²	16	89.1 Å²	89.1	17%	0.165	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	4.4	178.9	0	0	0	0	0	116.1	Y167 D178 T198	Y167-G200 VanDerWaalsContact CZ-CA 3.5Å; Y167-G200 VanDerWaalsContact CZ-N 3.34Å; Y167-G200 PolarHBondContact OH-N 2.93Å; D178-G200 WeakPolarHBondContact OD1-CA 3.4Å; D178-G200 PolarHBondContact OD1-N 3.47Å; T198-G200 PolarHBondContact O-N 3.41Å
201	S	73.9	Confident	66.3	Low	58 Å²	58	82.1 Å²	82.1	41%	0.406	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	152.9	176.5	-178	0	0	0	0	110.7	E181 T198	E181-S201 VanDerWaalsContact OE2-C 3.29Å; E181-S201 WeakPolarHBondContact OE2-CA 3.46Å; T198-S201 CarbonylContact C-O 3.59Å; T198-S201 VanDerWaalsContact C-O 3.27Å; T198-S201 VanDerWaalsContact CA-O 3.31Å; T198-S201 WeakPolarHBondContact CA-O 3.21Å; T198-S201 WeakPolarHBondContact CB-O 3.48Å; T198-S201 PolarHBondContact N-O 3.04Å; T198-S201 CarbonylContact O-C 3.41Å; T198-S201 PolarHBondContact O-N 3.35Å; T198-S201 PolarHBondContact OG1-O 2.7Å
202	F	77.4	Confident	66.8	Low	49 Å²	49	84.4 Å²	84.4	22%	0.215	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	158.4	163.4	70.5	-77.5	0	0	0	113.4	E181 N188	E181-F202 HydrophobicContact CB-CB 4.46Å; E181-F202 HydrophobicContact CB-CD1 3.65Å; E181-F202 HydrophobicContact CB-CE1 4.3Å; E181-F202 HydrophobicContact CB-CG 4.33Å; E181-F202 HydrophobicContact CG-CD1 4.08Å; E181-F202 WeakPolarHBondContact OE2-CD1 3.47Å; E181-F202 PolarHBondContact OE2-N 2.04Å; N188-F202 HydrophobicContact CB-CZ 4.22Å; N188-F202 VanDerWaalsContact N-CE2 3.32Å; N188-F202 VanDerWaalsContact N-CZ 3.29Å
203	R	72.6	Confident	67.2	Low	124 Å²	124	82 Å²	82	47%	0.468	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.5	163.5	72.6	179.3	-175	93.1	-1.4	112.1	I196 T198 M205	I196-R203 HydrophobicContact CB-CG 4.44Å; I196-R203 PolarHBondContact N-O 3.22Å; I196-R203 PolarHBondContact O-N 3.11Å; T198-R203 HydrophobicContact CG2-CG 4.42Å; R203-M205 PolarHBondContact NH1-SD 3.32Å
204	C	72.8	Confident	67.6	Low	48 Å²	48	82.6 Å²	82.6	32%	0.324	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	140.3	178.2	-45.1	0	0	0	0	109.8	C189 E193 R194	C189-C204 WeakPolarHBondContact CA-SG 3.02Å; C189-C204 HydrophobicContact CB-CB 3.78Å; C189-C204 WeakPolarHBondContact CB-SG 3.25Å; C189-C204 WeakPolarHBondContact SG-CB 3.26Å; C189-C204 CovalentContact SG-SG 2.04Å; C189-C204 PolarHBondContact SG-SG 3.48Å; E193-C204 HydrophobicContact CB-CB 4.13Å; R194-C204 WeakPolarHBondContact O-CA 3.34Å
205	M	60.5	Low	67.8	Low	81 Å²	81	79.8 Å²	79.8	40%	0.399	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	142.3	179.5	-160.1	171.9	79.1	0	0	112	E193 R194 I196 R203	E193-M205 CarbonylContact C-O 3.55Å; E193-M205 WeakPolarHBondContact CA-O 3.44Å; R194-M205 PolarHBondContact N-O 3.41Å; R194-M205 PolarHBondContact O-N 3.18Å; I196-M205 HydrophobicContact CD1-CB 4.49Å; I196-M205 HydrophobicContact CD1-CE 4.1Å; R203-M205 PolarHBondContact NH1-SD 3.32Å
206	R	60.2	Low	67.5	Low	181 Å²	181	83.1 Å²	83.1	68%	0.683	45%	0.449	S	S	*	.			trans	-88.8	150.2	171.9	-101.6	177.7	173.6	162.7	-2.6	111.1	E193	E193-R206 HydrophobicContact CG-CG 4.22Å
207	E	55.1	Low	67	Low	133 Å²	133	82.8 Å²	82.8	62%	0.621	45%	0.45	S	S	*	.			trans	-104.3	21.2	-172.3	-64.6	-174.2	142.2	0	0	114.2	R194	R194-E207 WeakPolarHBondContact CD-OE1 3.38Å; R194-E207 IonicContact CZ-OE1 3.96Å; R194-E207 IonicContact NE-OE1 3.7Å; R194-E207 IonicContact NH1-OE1 3.5Å; R194-E207 PolarHBondContact NH1-OE1 2.95Å
208	V	59.7	Low	66.6	Low	136 Å²	136	90.6 Å²	90.6	82%	0.824	49%	0.485	S	S	*	.			trans	-134.5	138.3	-175.8	-164.4	0	0	0	0	112
209	S	58.7	Low	66.1	Low	107 Å²	107	94.5 Å²	94.5	75%	0.748	50%	0.504	S	S	*	.			trans	-105.7	166.2	175.5	58.4	0	0	0	0	112.5	G211	S209-G211 PolarHBondContact O-N 3.2Å; S209-G211 VanDerWaalsContact O-N 3.08Å
210	C	62.7	Low	65.6	Low	30 Å²	30	92.9 Å²	92.9	20%	0.203	50%	0.5	C	S	.	.			trans	-66.5	-5	-175.8	-69.8	0	0	0	0	116.3	L216 C222	C210-L216 WeakPolarHBondContact SG-CD1 3.02Å; C210-C222 VanDerWaalsContact CA-SG 3.59Å; C210-C222 HydrophobicContact CB-CB 3.75Å; C210-C222 WeakPolarHBondContact CB-SG 3.4Å; C210-C222 WeakPolarHBondContact SG-CB 3.24Å; C210-C222 CovalentContact SG-SG 2.04Å; C210-C222 PolarHBondContact SG-SG 2.04Å
211	G	63.7	Low	65.4	Low	51 Å²	51	97.4 Å²	97.4	53%	0.526	52%	0.521	S	S	.	.			trans	78.8	-171.6	-168.5	0	0	0	0	0	113.2	S209	S209-G211 PolarHBondContact O-N 3.2Å; S209-G211 VanDerWaalsContact O-N 3.08Å
212	T	63.6	Low	65.4	Low	136 Å²	136	98 Å²	98	83%	0.834	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	145.7	176.8	49	0	0	0	0	111
213	G	68.6	Low	65.4	Low	18 Å²	18	100.8 Å²	100.8	19%	0.186	54%	0.536	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-1.4	-177.4	0	0	0	0	0	114.7	I225	G213-I225 PolarHBondContact O-N 3.33Å
214	Y	75.3	Confident	65.7	Low	72 Å²	72	96.9 Å²	96.9	28%	0.282	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138	-177.9	-63.2	-92.1	0	0	0	112.3	K223 D224 Q245 G246	Y214-K223 CarbonylContact C-O 3.58Å; Y214-K223 WeakPolarHBondContact CA-O 3.47Å; Y214-D224 HydrophobicContact CD1-CB 4.44Å; Y214-D224 HydrophobicContact CE1-CB 4.25Å; Y214-Q245 PolarHBondContact OH-O 2.03Å; Y214-G246 WeakPolarHBondContact OH-CA 3.31Å; Y214-G246 PolarHBondContact OH-N 3.42Å
215	E	74.6	Confident	66.1	Low	91 Å²	91	97 Å²	97	43%	0.425	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	139.8	170.6	63.1	-178.9	175.8	0	0	111.1	C222 K223 I225	E215-C222 WeakPolarHBondContact O-CA 3.47Å; E215-K223 HydrophobicContact CG-CB 4.02Å; E215-K223 HydrophobicContact CG-CG 4.44Å; E215-K223 PolarHBondContact N-O 3.16Å; E215-K223 PolarHBondContact O-N 3.5Å; E215-K223 WeakPolarHBondContact OE1-CD 3.06Å; E215-K223 IonicContact OE1-NZ 2.7Å; E215-K223 PolarHBondContact OE1-NZ 3.42Å; E215-I225 HydrophobicContact CB-CD1 4.36Å; E215-I225 HydrophobicContact CB-CG1 4.26Å; E215-I225 HydrophobicContact CG-CG1 4.43Å
216	L	67.8	Low	67	Low	107 Å²	107	95.6 Å²	95.6	56%	0.56	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	118.5	174.5	-177.7	73.7	0	0	0	109.3	C210	C210-L216 WeakPolarHBondContact SG-CD1 3.02Å
217	T	64.3	Low	68.2	Low	46 Å²	46	88 Å²	88	28%	0.282	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-79.7	159.5	174.6	65.5	0	0	0	0	111.8	N219 N220 D221 K223	T217-N219 PolarHBondContact O-N 2.99Å; T217-N220 PolarHBondContact O-N 3.25Å; T217-D221 WeakPolarHBondContact CB-O 3.5Å; T217-D221 PolarHBondContact N-O 3.14Å; T217-D221 PolarHBondContact OG1-N 3.15Å; T217-D221 PolarHBondContact OG1-O 3.49Å; T217-K223 HydrophobicContact CG2-CB 4.14Å
218	E	59.5	Low	69.4	Low	207 Å²	207	83.2 Å²	83.2	97%	0.967	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.4	-179.8	-60.6	-171.6	150.1	0	0	114	N220	E218-N220 VanDerWaalsContact C-N 3.35Å
219	N	59.2	Low	70.4	Confident	137 Å²	137	85.1 Å²	85.1	73%	0.733	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	5.3	177.6	-67.1	-27.2	0	0	0	114.3	T217 D221	T217-N219 PolarHBondContact O-N 2.99Å; N219-D221 VanDerWaalsContact C-N 3.3Å
220	N	59.8	Low	71.2	Confident	123 Å²	123	84 Å²	84	66%	0.658	46%	0.457	S	S	*	.	S	Bend	trans	68	14.2	-170.2	-83.3	-40.3	0	0	0	116	T217 E218	T217-N220 PolarHBondContact O-N 3.25Å; E218-N220 VanDerWaalsContact C-N 3.35Å
221	D	63.3	Low	71.6	Confident	111 Å²	111	85.1 Å²	85.1	59%	0.594	47%	0.474	S	S	*	.			trans	-90.5	138.4	171.6	-67.8	-51.4	0	0	0	111.2	T217 N219	T217-D221 WeakPolarHBondContact CB-O 3.5Å; T217-D221 PolarHBondContact N-O 3.14Å; T217-D221 PolarHBondContact OG1-N 3.15Å; T217-D221 PolarHBondContact OG1-O 3.49Å; N219-D221 VanDerWaalsContact C-N 3.3Å
222	C	74.4	Confident	72.1	Confident	70 Å²	70	88 Å²	88	47%	0.473	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	123.8	176.4	-55.4	0	0	0	0	110.6	C210 E215	C210-C222 VanDerWaalsContact CA-SG 3.59Å; C210-C222 HydrophobicContact CB-CB 3.75Å; C210-C222 WeakPolarHBondContact CB-SG 3.4Å; C210-C222 WeakPolarHBondContact SG-CB 3.24Å; C210-C222 CovalentContact SG-SG 2.04Å; C210-C222 PolarHBondContact SG-SG 2.04Å; E215-C222 WeakPolarHBondContact O-CA 3.47Å
223	K	77.5	Confident	72.8	Confident	108 Å²	108	84.6 Å²	84.6	47%	0.47	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	144.5	177.9	173	-180	159.1	-65.2	0	111.1	Y214 E215 T217	Y214-K223 CarbonylContact C-O 3.58Å; Y214-K223 WeakPolarHBondContact CA-O 3.47Å; E215-K223 HydrophobicContact CG-CB 4.02Å; E215-K223 HydrophobicContact CG-CG 4.44Å; E215-K223 PolarHBondContact N-O 3.16Å; E215-K223 PolarHBondContact O-N 3.5Å; E215-K223 WeakPolarHBondContact OE1-CD 3.06Å; E215-K223 IonicContact OE1-NZ 2.7Å; E215-K223 PolarHBondContact OE1-NZ 3.42Å; T217-K223 HydrophobicContact CG2-CB 4.14Å
224	D	79.3	Confident	73.2	Confident	42 Å²	42	90.3 Å²	90.3	23%	0.225	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	144.3	177.3	-166.8	28.9	0	0	0	113.1	Y214 G246	Y214-D224 HydrophobicContact CD1-CB 4.44Å; Y214-D224 HydrophobicContact CE1-CB 4.25Å; D224-G246 WeakPolarHBondContact OD1-CA 3.43Å; D224-G246 PolarHBondContact OD1-N 3.36Å
225	I	81.4	Confident	73.1	Confident	51 Å²	51	87.8 Å²	87.8	26%	0.262	47%	0.47	S	S	.	.			trans	-106	110.7	178.3	-58.5	174	0	0	0	108.8	G213 E215 E227 I232	G213-I225 PolarHBondContact O-N 3.33Å; E215-I225 HydrophobicContact CB-CD1 4.36Å; E215-I225 HydrophobicContact CB-CG1 4.26Å; E215-I225 HydrophobicContact CG-CG1 4.43Å; I225-E227 HydrophobicContact CG2-CG 4.49Å; I225-E227 PolarHBondContact O-N 2.94Å; I225-E227 VanDerWaalsContact O-N 3.09Å; I225-I232 HydrophobicContact CG2-CD1 4.38Å
226	D	79.3	Confident	72.9	Confident	50 Å²	50	85.6 Å²	85.6	27%	0.267	47%	0.471	S	S	.	.			trans	-76.2	98.9	176.6	-164	-54	0	0	0	110.9	C228 E229 T230 N243	D226-C228 PolarHBondContact O-N 2.85Å; D226-C228 WeakPolarHBondContact OD1-CA 3.36Å; D226-C228 WeakPolarHBondContact OD1-CB 3.29Å; D226-C228 PolarHBondContact OD1-N 2.73Å; D226-E229 HydrophobicContact CB-CB 4.4Å; D226-E229 PolarHBondContact OD1-N 2.76Å; D226-T230 WeakPolarHBondContact O-CB 3.49Å; D226-T230 WeakPolarHBondContact O-CG2 3.43Å; D226-T230 PolarHBondContact O-N 2.85Å; D226-T230 VanDerWaalsContact O-N 3.11Å; D226-T230 PolarHBondContact O-OG1 2.82Å; D226-N243 WeakPolarHBondContact CB-ND2 3.39Å; D226-N243 WeakPolarHBondContact OD2-CB 3.32Å; D226-N243 VanDerWaalsContact OD2-CG 3.31Å; D226-N243 PolarHBondContact OD2-ND2 3.37Å
227	E	84.6	Confident	72.9	Confident	21 Å²	21	88.9 Å²	88.9	10%	0.098	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-12.8	-179.9	-53.8	112.9	138.6	0	0	113.2	I225 T230 G231 I232 H233 S247 F248	I225-E227 HydrophobicContact CG2-CG 4.49Å; I225-E227 PolarHBondContact O-N 2.94Å; I225-E227 VanDerWaalsContact O-N 3.09Å; E227-T230 WeakPolarHBondContact CA-OG1 3.31Å; E227-G231 PolarHBondContact O-N 2.86Å; E227-I232 HydrophobicContact CB-CD1 4.3Å; E227-I232 HydrophobicContact CB-CG1 3.67Å; E227-I232 HydrophobicContact CG-CD1 3.91Å; E227-I232 HydrophobicContact CG-CG1 3.8Å; E227-I232 PolarHBondContact O-N 2.99Å; E227-H233 PolarHBondContact O-N 2.92Å; E227-S247 VanDerWaalsContact OE2-C 3.27Å; E227-S247 WeakPolarHBondContact OE2-CA 3.01Å; E227-F248 HydrophobicContact CB-CB 4.22Å; E227-F248 HydrophobicContact CB-CD1 3.55Å; E227-F248 HydrophobicContact CB-CE1 4.28Å; E227-F248 HydrophobicContact CB-CG 4.15Å; E227-F248 HydrophobicContact CG-CD1 3.91Å; E227-F248 PolarHBondContact OE2-N 3.39Å
228	C	80.7	Confident	72.8	Confident	33 Å²	33	93 Å²	93	22%	0.223	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-43	175.9	-61.4	0	0	0	0	112.2	D226 C241 Q242 N243	D226-C228 PolarHBondContact O-N 2.85Å; D226-C228 WeakPolarHBondContact OD1-CA 3.36Å; D226-C228 WeakPolarHBondContact OD1-CB 3.29Å; D226-C228 PolarHBondContact OD1-N 2.73Å; C228-C241 VanDerWaalsContact CA-SG 3.51Å; C228-C241 HydrophobicContact CB-CB 3.88Å; C228-C241 WeakPolarHBondContact CB-SG 3.36Å; C228-C241 VanDerWaalsContact SG-C 3.54Å; C228-C241 WeakPolarHBondContact SG-CB 3.45Å; C228-C241 CovalentContact SG-SG 2.04Å; C228-C241 PolarHBondContact SG-SG 2.03Å; C228-Q242 PolarHBondContact SG-N 3Å; C228-Q242 VanDerWaalsContact SG-N 3.4Å; C228-N243 HydrophobicContact CB-CB 4.48Å; C228-N243 PolarHBondContact SG-N 3.23Å
229	E	80.3	Confident	73.3	Confident	177 Å²	177	85.3 Å²	85.3	83%	0.827	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-37.9	172.1	-78.1	-154.8	137.1	0	0	112.3	D226 G231	D226-E229 HydrophobicContact CB-CB 4.4Å; D226-E229 PolarHBondContact OD1-N 2.76Å; E229-G231 VanDerWaalsContact C-N 3.29Å; E229-G231 PolarHBondContact O-N 2.8Å
230	T	75.4	Confident	74.2	Confident	83 Å²	83	82 Å²	82	51%	0.509	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.7	-178.3	57	0	0	0	0	114.1	D226 E227 I232	D226-T230 WeakPolarHBondContact O-CB 3.49Å; D226-T230 WeakPolarHBondContact O-CG2 3.43Å; D226-T230 PolarHBondContact O-N 2.85Å; D226-T230 VanDerWaalsContact O-N 3.11Å; D226-T230 PolarHBondContact O-OG1 2.82Å; E227-T230 WeakPolarHBondContact CA-OG1 3.31Å; T230-I232 VanDerWaalsContact C-N 3.29Å; T230-I232 PolarHBondContact O-N 3.3Å
231	G	70.2	Confident	75.2	Confident	53 Å²	53	77.4 Å²	77.4	55%	0.546	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	16.1	172.8	0	0	0	0	0	115.2	E227 E229	E227-G231 PolarHBondContact O-N 2.86Å; E229-G231 VanDerWaalsContact C-N 3.29Å; E229-G231 PolarHBondContact O-N 2.8Å
232	I	74.6	Confident	76.1	Confident	112 Å²	112	75.9 Å²	75.9	57%	0.574	41%	0.414	S	S	*	.			trans	-92.3	4.5	179.3	64.1	-174.3	0	0	0	113.3	I225 E227 T230	I225-I232 HydrophobicContact CG2-CD1 4.38Å; E227-I232 HydrophobicContact CB-CD1 4.3Å; E227-I232 HydrophobicContact CB-CG1 3.67Å; E227-I232 HydrophobicContact CG-CD1 3.91Å; E227-I232 HydrophobicContact CG-CG1 3.8Å; E227-I232 PolarHBondContact O-N 2.99Å; T230-I232 VanDerWaalsContact C-N 3.29Å; T230-I232 PolarHBondContact O-N 3.3Å
233	H	77.9	Confident	76.3	Confident	64 Å²	64	74.7 Å²	74.7	30%	0.296	40%	0.404	S	S	.	.			trans	-70.1	151.4	174.6	70.8	72.2	0	0	0	113.3	E227 C241 F248	E227-H233 PolarHBondContact O-N 2.92Å; H233-C241 VanDerWaalsContact CB-SG 3.6Å; H233-C241 VanDerWaalsContact CD2-SG 3.53Å; H233-C241 VanDerWaalsContact CG-SG 3.55Å; H233-F248 HydrophobicContact CB-CD1 4.24Å; H233-F248 HydrophobicContact CB-CD2 3.68Å; H233-F248 HydrophobicContact CB-CE1 4.26Å; H233-F248 HydrophobicContact CB-CE2 3.72Å; H233-F248 HydrophobicContact CB-CG 3.96Å; H233-F248 HydrophobicContact CB-CZ 4.02Å
234	N	77.3	Confident	76.3	Confident	138 Å²	138	72.3 Å²	72.3	74%	0.738	40%	0.398	S	S	*	.			trans	-104.8	14.3	177.9	70.5	-3.5	0	0	0	114.7	G236 F248	N234-G236 PolarHBondContact O-N 3.05Å; N234-F248 WeakPolarHBondContact OD1-CE2 3.1Å; N234-F248 VanDerWaalsContact OD1-CZ 3.3Å; N234-F248 WeakPolarHBondContact OD1-CZ 3.05Å
235	C	75	Confident	76.3	Confident	20 Å²	20	78.1 Å²	78.1	14%	0.135	42%	0.424	C	S	.	.			trans	-58	119.3	176	-56.4	0	0	0	0	112.5	C250	C235-C250 WeakPolarHBondContact CA-SG 3.48Å; C235-C250 HydrophobicContact CB-CB 3.8Å; C235-C250 WeakPolarHBondContact CB-SG 3.2Å; C235-C250 VanDerWaalsContact SG-CA 3.57Å; C235-C250 WeakPolarHBondContact SG-CB 3.39Å; C235-C250 CovalentContact SG-SG 2.04Å; C235-C250 PolarHBondContact SG-SG 3.3Å
236	G	68.5	Low	75.9	Confident	44 Å²	44	76.4 Å²	76.4	45%	0.454	42%	0.419	S	S	.	.			trans	-72	161.6	174.5	0	0	0	0	0	113.5	N234 Q238 F239	N234-G236 PolarHBondContact O-N 3.05Å; G236-Q238 PolarHBondContact O-N 3.47Å; G236-F239 PolarHBondContact O-N 3.12Å
237	E	69.3	Low	75.8	Confident	177 Å²	177	76.7 Å²	76.7	83%	0.827	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.4	-164.8	-60.9	-161.9	152.7	0	0	116.6	F239 K253	E237-F239 PolarHBondContact O-N 2.98Å; E237-K253 PolarHBondContact O-NZ 3.09Å
238	Q	61.5	Low	75.6	Confident	133 Å²	133	77.8 Å²	77.8	62%	0.621	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-7.8	176	-54.5	-59.3	-13	0	0	113.6	G236 K253	G236-Q238 PolarHBondContact O-N 3.47Å; Q238-K253 WeakPolarHBondContact O-CB 3.26Å; Q238-K253 WeakPolarHBondContact O-CG 3.39Å; Q238-K253 PolarHBondContact O-N 3.49Å; Q238-K253 VanDerWaalsContact O-N 3.08Å
239	F	69.4	Low	75.4	Confident	45 Å²	45	83 Å²	83	20%	0.197	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	165	-176.6	-57.4	-98.7	0	0	0	111.2	G236 E237 C250 A251 P252 K253 A264	G236-F239 PolarHBondContact O-N 3.12Å; E237-F239 PolarHBondContact O-N 2.98Å; F239-C250 HydrophobicContact CB-CB 3.95Å; F239-C250 HydrophobicContact CD1-CB 4.4Å; F239-C250 HydrophobicContact CG-CB 4.36Å; F239-A251 CarbonylContact C-O 3.58Å; F239-A251 WeakPolarHBondContact CA-O 3.46Å; F239-P252 HydrophobicContact CD1-CB 4.33Å; F239-P252 HydrophobicContact CD1-CG 4.14Å; F239-P252 HydrophobicContact CE1-CB 4.28Å; F239-P252 HydrophobicContact CE1-CG 3.93Å; F239-K253 WeakPolarHBondContact O-CE 3.22Å; F239-K253 PolarHBondContact O-NZ 3.45Å; F239-A264 WeakPolarHBondContact CZ-O 3.39Å
240	T	78.6	Confident	75.2	Confident	68 Å²	68	77 Å²	77	42%	0.417	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.5	177.3	-57.3	0	0	0	0	108.7	A251 K253	T240-A251 PolarHBondContact N-O 2.85Å; T240-A251 PolarHBondContact O-N 3.13Å; T240-K253 WeakPolarHBondContact OG1-CE 3.37Å; T240-K253 WeakPolarHBondContact OG1-CG 3.49Å
241	C	80.8	Confident	74.8	Confident	26 Å²	26	74.2 Å²	74.2	18%	0.176	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	139	176.5	-162	0	0	0	0	110.7	C228 H233	C228-C241 VanDerWaalsContact CA-SG 3.51Å; C228-C241 HydrophobicContact CB-CB 3.88Å; C228-C241 WeakPolarHBondContact CB-SG 3.36Å; C228-C241 VanDerWaalsContact SG-C 3.54Å; C228-C241 WeakPolarHBondContact SG-CB 3.45Å; C228-C241 CovalentContact SG-SG 2.04Å; C228-C241 PolarHBondContact SG-SG 2.03Å; H233-C241 VanDerWaalsContact CB-SG 3.6Å; H233-C241 VanDerWaalsContact CD2-SG 3.53Å; H233-C241 VanDerWaalsContact CG-SG 3.55Å
242	Q	81.9	Confident	74.6	Confident	78 Å²	78	74.4 Å²	74.4	36%	0.364	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	122.4	167.7	-64	-179.3	-1.6	0	0	107.7	C228 R249	C228-Q242 PolarHBondContact SG-N 3Å; C228-Q242 VanDerWaalsContact SG-N 3.4Å; Q242-R249 HydrophobicContact CB-CG 3.96Å; Q242-R249 PolarHBondContact N-O 3.45Å; Q242-R249 WeakPolarHBondContact O-CG 3.04Å; Q242-R249 PolarHBondContact O-N 2.89Å
243	N	78.7	Confident	74.2	Confident	46 Å²	46	74.7 Å²	74.7	25%	0.246	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	146.1	177.1	-174	26.5	0	0	0	110.7	D226 C228	D226-N243 WeakPolarHBondContact CB-ND2 3.39Å; D226-N243 WeakPolarHBondContact OD2-CB 3.32Å; D226-N243 VanDerWaalsContact OD2-CG 3.31Å; D226-N243 PolarHBondContact OD2-ND2 3.37Å; C228-N243 HydrophobicContact CB-CB 4.48Å; C228-N243 PolarHBondContact SG-N 3.23Å
244	T	78.3	Confident	73.5	Confident	57 Å²	57	77.5 Å²	77.5	35%	0.35	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	158.3	168.6	57.4	0	0	0	0	110.1	G246 S247 R249	T244-G246 PolarHBondContact O-N 3.06Å; T244-S247 CarbonylContact C-O 3.49Å; T244-S247 WeakPolarHBondContact CA-O 3.35Å; T244-S247 WeakPolarHBondContact CB-O 3.43Å; T244-S247 PolarHBondContact N-O 3.13Å; T244-S247 CarbonylContact O-C 3.48Å; T244-S247 PolarHBondContact O-N 3.48Å; T244-S247 PolarHBondContact OG1-O 3.1Å; T244-R249 HydrophobicContact CG2-CG 4.32Å
245	Q	78	Confident	72.7	Confident	164 Å²	164	77 Å²	77	77%	0.766	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	107	-167.9	-165.4	179.6	-6.6	0	0	112.5	Y214	Y214-Q245 PolarHBondContact OH-O 2.03Å
246	G	73.1	Confident	72.3	Confident	16 Å²	16	77.7 Å²	77.7	17%	0.165	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	0.5	-176.9	0	0	0	0	0	116.2	Y214 D224 T244	Y214-G246 WeakPolarHBondContact OH-CA 3.31Å; Y214-G246 PolarHBondContact OH-N 3.42Å; D224-G246 WeakPolarHBondContact OD1-CA 3.43Å; D224-G246 PolarHBondContact OD1-N 3.36Å; T244-G246 PolarHBondContact O-N 3.06Å
247	S	77.3	Confident	72.1	Confident	56 Å²	56	78 Å²	78	39%	0.392	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	151.8	173.1	-152.9	0	0	0	0	113.8	E227 T244	E227-S247 VanDerWaalsContact OE2-C 3.27Å; E227-S247 WeakPolarHBondContact OE2-CA 3.01Å; T244-S247 CarbonylContact C-O 3.49Å; T244-S247 WeakPolarHBondContact CA-O 3.35Å; T244-S247 WeakPolarHBondContact CB-O 3.43Å; T244-S247 PolarHBondContact N-O 3.13Å; T244-S247 CarbonylContact O-C 3.48Å; T244-S247 PolarHBondContact O-N 3.48Å; T244-S247 PolarHBondContact OG1-O 3.1Å
248	F	81.3	Confident	72	Confident	44 Å²	44	75.4 Å²	75.4	19%	0.193	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	159.6	171.5	70	-79.8	0	0	0	115.3	E227 H233 N234	E227-F248 HydrophobicContact CB-CB 4.22Å; E227-F248 HydrophobicContact CB-CD1 3.55Å; E227-F248 HydrophobicContact CB-CE1 4.28Å; E227-F248 HydrophobicContact CB-CG 4.15Å; E227-F248 HydrophobicContact CG-CD1 3.91Å; E227-F248 PolarHBondContact OE2-N 3.39Å; H233-F248 HydrophobicContact CB-CD1 4.24Å; H233-F248 HydrophobicContact CB-CD2 3.68Å; H233-F248 HydrophobicContact CB-CE1 4.26Å; H233-F248 HydrophobicContact CB-CE2 3.72Å; H233-F248 HydrophobicContact CB-CG 3.96Å; H233-F248 HydrophobicContact CB-CZ 4.02Å; N234-F248 WeakPolarHBondContact OD1-CE2 3.1Å; N234-F248 VanDerWaalsContact OD1-CZ 3.3Å; N234-F248 WeakPolarHBondContact OD1-CZ 3.05Å
249	R	75.3	Confident	72.3	Confident	142 Å²	142	69.9 Å²	69.9	54%	0.536	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.6	168.6	70.7	-178.1	-171.2	-165.5	0	112.3	Q242 T244	Q242-R249 HydrophobicContact CB-CG 3.96Å; Q242-R249 PolarHBondContact N-O 3.45Å; Q242-R249 WeakPolarHBondContact O-CG 3.04Å; Q242-R249 PolarHBondContact O-N 2.89Å; T244-R249 HydrophobicContact CG2-CG 4.32Å
250	C	76.9	Confident	72.5	Confident	51 Å²	51	70.8 Å²	70.8	35%	0.345	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117.2	179.6	-50	0	0	0	0	110.9	C235 F239	C235-C250 WeakPolarHBondContact CA-SG 3.48Å; C235-C250 HydrophobicContact CB-CB 3.8Å; C235-C250 WeakPolarHBondContact CB-SG 3.2Å; C235-C250 VanDerWaalsContact SG-CA 3.57Å; C235-C250 WeakPolarHBondContact SG-CB 3.39Å; C235-C250 CovalentContact SG-SG 2.04Å; C235-C250 PolarHBondContact SG-SG 3.3Å; F239-C250 HydrophobicContact CB-CB 3.95Å; F239-C250 HydrophobicContact CD1-CB 4.4Å; F239-C250 HydrophobicContact CG-CB 4.36Å
251	A	67.5	Low	72.3	Confident	25 Å²	25	72.5 Å²	72.5	21%	0.207	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137	179.5	0	0	0	0	0	111.8	F239 T240	F239-A251 CarbonylContact C-O 3.58Å; F239-A251 WeakPolarHBondContact CA-O 3.46Å; T240-A251 PolarHBondContact N-O 2.85Å; T240-A251 PolarHBondContact O-N 3.13Å
252	P	65.7	Low	71.7	Confident	56 Å²	56	74.2 Å²	74.2	36%	0.364	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	144	178.2	-19.2	29.8	0	0	0	112.8	F239	F239-P252 HydrophobicContact CD1-CB 4.33Å; F239-P252 HydrophobicContact CD1-CG 4.14Å; F239-P252 HydrophobicContact CE1-CB 4.28Å; F239-P252 HydrophobicContact CE1-CG 3.93Å
253	K	65.3	Low	70.9	Confident	118 Å²	118	72.9 Å²	72.9	51%	0.513	41%	0.413	S	S	.	.	S	Bend	trans	-76.7	-25.3	176.1	-73.8	171.8	178.8	164.1	0	114.1	E237 Q238 F239 T240	E237-K253 PolarHBondContact O-NZ 3.09Å; Q238-K253 WeakPolarHBondContact O-CB 3.26Å; Q238-K253 WeakPolarHBondContact O-CG 3.39Å; Q238-K253 PolarHBondContact O-N 3.49Å; Q238-K253 VanDerWaalsContact O-N 3.08Å; F239-K253 WeakPolarHBondContact O-CE 3.22Å; F239-K253 PolarHBondContact O-NZ 3.45Å; T240-K253 WeakPolarHBondContact OG1-CE 3.37Å; T240-K253 WeakPolarHBondContact OG1-CG 3.49Å
254	N	64.3	Low	69.8	Low	123 Å²	123	75.2 Å²	75.2	66%	0.658	44%	0.438	S	S	*	.	S	Bend	trans	-120	141	178.4	-63.4	-35.9	0	0	0	109.7	Q262	N254-Q262 PolarHBondContact O-NE2 3.33Å; N254-Q262 PolarHBondContact O-OE1 3.01Å
255	T	60.6	Low	68.8	Low	129 Å²	129	79.6 Å²	79.6	79%	0.791	46%	0.459	S	S	*	.			trans	-112.7	146.3	177.6	46.9	0	0	0	0	112.1
256	C	65.9	Low	68.1	Low	33 Å²	33	73.1 Å²	73.1	22%	0.223	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-74.5	156	179.6	-63.9	0	0	0	0	113.4	F260 Q262 C268	C256-F260 HydrophobicContact CB-CB 4.21Å; C256-Q262 VanDerWaalsContact SG-CB 3.59Å; C256-Q262 VanDerWaalsContact SG-CG 3.55Å; C256-C268 HydrophobicContact CB-CB 3.94Å; C256-C268 WeakPolarHBondContact CB-SG 3.47Å; C256-C268 WeakPolarHBondContact SG-CA 3.28Å; C256-C268 WeakPolarHBondContact SG-CB 3.42Å; C256-C268 CovalentContact SG-SG 2.04Å; C256-C268 PolarHBondContact SG-SG 3.13Å
257	G	65	Low	67.7	Low	50 Å²	50	75.6 Å²	75.6	52%	0.515	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-75.9	165.5	172.9	0	0	0	0	0	113.6	F260	G257-F260 PolarHBondContact O-N 3.46Å
258	S	66.2	Low	67.5	Low	124 Å²	124	76 Å²	76	87%	0.867	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	135.5	174.7	53.5	0	0	0	0	112
259	G	68.3	Low	67.3	Low	16 Å²	16	78 Å²	78	17%	0.165	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	101	-9	-173	0	0	0	0	0	113.7	I271	G259-I271 WeakPolarHBondContact O-CB 3.29Å; G259-I271 WeakPolarHBondContact O-CG1 3.32Å; G259-I271 PolarHBondContact O-N 3.11Å
260	F	74.1	Confident	67.5	Low	65 Å²	65	73.1 Å²	73.1	29%	0.285	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.1	-177.9	-59.5	-95.9	0	0	0	112.2	C256 G257 C268 I269 D270 V291 G292	C256-F260 HydrophobicContact CB-CB 4.21Å; G257-F260 PolarHBondContact O-N 3.46Å; F260-C268 HydrophobicContact CB-CB 3.99Å; F260-C268 HydrophobicContact CD1-CB 4.24Å; F260-C268 HydrophobicContact CG-CB 4.28Å; F260-I269 CarbonylContact C-O 3.51Å; F260-I269 VanDerWaalsContact CA-O 3.22Å; F260-I269 WeakPolarHBondContact CA-O 3.31Å; F260-I269 WeakPolarHBondContact CB-O 3.05Å; F260-D270 HydrophobicContact CD1-CB 4.36Å; F260-D270 HydrophobicContact CE1-CB 4.2Å; F260-V291 HydrophobicContact CE1-CG1 4.01Å; F260-V291 HydrophobicContact CZ-CG1 4Å; F260-G292 VanDerWaalsContact CZ-CA 3.49Å
261	I	73.1	Confident	67.6	Low	103 Å²	103	73 Å²	73	53%	0.528	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	147.9	165.1	46.9	170.1	0	0	0	109.7	I269 I271	I261-I269 HydrophobicContact CG1-CB 4.31Å; I261-I269 PolarHBondContact N-O 3.17Å; I261-I269 PolarHBondContact O-N 3.34Å; I261-I271 HydrophobicContact CB-CG1 4.43Å; I261-I271 HydrophobicContact CG1-CG1 4.24Å; I261-I271 HydrophobicContact CG2-CD1 3.96Å; I261-I271 HydrophobicContact CG2-CG1 3.92Å
262	Q	68.3	Low	68	Low	62 Å²	62	75.1 Å²	75.1	29%	0.29	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.9	-179.5	-159.9	164.7	17.8	0	0	111.1	N254 C256 G266 S267	N254-Q262 PolarHBondContact O-NE2 3.33Å; N254-Q262 PolarHBondContact O-OE1 3.01Å; C256-Q262 VanDerWaalsContact SG-CB 3.59Å; C256-Q262 VanDerWaalsContact SG-CG 3.55Å; Q262-G266 PolarHBondContact NE2-O 3.33Å; Q262-S267 CarbonylContact C-O 3.47Å; Q262-S267 WeakPolarHBondContact CA-O 3.36Å
263	D	65.1	Low	68.9	Low	51 Å²	51	73.5 Å²	73.5	27%	0.273	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-84.6	173.8	174.9	76.7	12.1	0	0	0	113	L265 G266 S267 I269	D263-L265 PolarHBondContact O-N 3.06Å; D263-L265 VanDerWaalsContact O-N 3.14Å; D263-L265 WeakPolarHBondContact OD1-CA 3.29Å; D263-L265 WeakPolarHBondContact OD1-CB 3.48Å; D263-L265 PolarHBondContact OD1-N 2.96Å; D263-G266 PolarHBondContact O-N 3.41Å; D263-G266 PolarHBondContact OD1-N 3Å; D263-S267 PolarHBondContact N-O 3.46Å; D263-S267 PolarHBondContact OD1-N 3.03Å; D263-S267 WeakPolarHBondContact OD2-CB 3.01Å; D263-I269 HydrophobicContact CB-CD1 3.86Å; D263-I269 HydrophobicContact CB-CG1 4.46Å
264	A	56.5	Low	69.4	Low	94 Å²	94	69.7 Å²	69.7	78%	0.777	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-4.6	-179.9	0	0	0	0	0	114.5	F239	F239-A264 WeakPolarHBondContact CZ-O 3.39Å
265	L	58.1	Low	69.9	Low	150 Å²	150	69.6 Å²	69.6	79%	0.785	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-2.9	174	-66.6	166.7	0	0	0	111.9	D263	D263-L265 PolarHBondContact O-N 3.06Å; D263-L265 VanDerWaalsContact O-N 3.14Å; D263-L265 WeakPolarHBondContact OD1-CA 3.29Å; D263-L265 WeakPolarHBondContact OD1-CB 3.48Å; D263-L265 PolarHBondContact OD1-N 2.96Å
266	G	62.1	Low	70.4	Confident	28 Å²	28	67.1 Å²	67.1	29%	0.289	42%	0.419	S	S	.	.	S	Bend	trans	91.8	4.3	179.4	0	0	0	0	0	114.8	Q262 D263	Q262-G266 PolarHBondContact NE2-O 3.33Å; D263-G266 PolarHBondContact O-N 3.41Å; D263-G266 PolarHBondContact OD1-N 3Å
267	S	64.3	Low	70.5	Confident	68 Å²	68	70.9 Å²	70.9	48%	0.476	43%	0.434	S	S	.	.			trans	-79.8	147.6	179.3	-164	0	0	0	0	112	Q262 D263	Q262-S267 CarbonylContact C-O 3.47Å; Q262-S267 WeakPolarHBondContact CA-O 3.36Å; D263-S267 PolarHBondContact N-O 3.46Å; D263-S267 PolarHBondContact OD1-N 3.03Å; D263-S267 WeakPolarHBondContact OD2-CB 3.01Å
268	C	74.6	Confident	70.1	Confident	63 Å²	63	74.4 Å²	74.4	43%	0.426	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	109.8	179.3	-58	0	0	0	0	110.7	C256 F260	C256-C268 HydrophobicContact CB-CB 3.94Å; C256-C268 WeakPolarHBondContact CB-SG 3.47Å; C256-C268 WeakPolarHBondContact SG-CA 3.28Å; C256-C268 WeakPolarHBondContact SG-CB 3.42Å; C256-C268 CovalentContact SG-SG 2.04Å; C256-C268 PolarHBondContact SG-SG 3.13Å; F260-C268 HydrophobicContact CB-CB 3.99Å; F260-C268 HydrophobicContact CD1-CB 4.24Å; F260-C268 HydrophobicContact CG-CB 4.28Å
269	I	77.3	Confident	70	Confident	86 Å²	86	73.6 Å²	73.6	44%	0.441	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	136.2	176.9	-58.4	179.8	0	0	0	109.4	F260 I261 D263	F260-I269 CarbonylContact C-O 3.51Å; F260-I269 VanDerWaalsContact CA-O 3.22Å; F260-I269 WeakPolarHBondContact CA-O 3.31Å; F260-I269 WeakPolarHBondContact CB-O 3.05Å; I261-I269 HydrophobicContact CG1-CB 4.31Å; I261-I269 PolarHBondContact N-O 3.17Å; I261-I269 PolarHBondContact O-N 3.34Å; D263-I269 HydrophobicContact CB-CD1 3.86Å; D263-I269 HydrophobicContact CB-CG1 4.46Å
270	D	79.2	Confident	70.2	Confident	40 Å²	40	74.6 Å²	74.6	21%	0.214	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.3	-179.7	-176.1	49.2	0	0	0	113.4	F260 N289 G292	F260-D270 HydrophobicContact CD1-CB 4.36Å; F260-D270 HydrophobicContact CE1-CB 4.2Å; D270-N289 PolarHBondContact OD2-ND2 3.29Å; D270-G292 WeakPolarHBondContact OD1-CA 3.28Å; D270-G292 PolarHBondContact OD1-N 2.74Å
271	I	78.7	Confident	70.1	Confident	50 Å²	50	72.5 Å²	72.5	26%	0.256	44%	0.442	S	S	.	.			trans	-88.8	108.5	177.5	-60.3	171.3	0	0	0	109.5	G259 I261 E273	G259-I271 WeakPolarHBondContact O-CB 3.29Å; G259-I271 WeakPolarHBondContact O-CG1 3.32Å; G259-I271 PolarHBondContact O-N 3.11Å; I261-I271 HydrophobicContact CB-CG1 4.43Å; I261-I271 HydrophobicContact CG1-CG1 4.24Å; I261-I271 HydrophobicContact CG2-CD1 3.96Å; I261-I271 HydrophobicContact CG2-CG1 3.92Å; I271-E273 HydrophobicContact CG2-CG 4.35Å; I271-E273 PolarHBondContact O-N 3.22Å
272	N	76.4	Confident	70.2	Confident	69 Å²	69	75.1 Å²	75.1	37%	0.369	45%	0.451	S	S	.	.			trans	-71.6	91.4	175.8	-172.2	-24.3	0	0	0	112.3	C274 V275 S276 N289	N272-C274 PolarHBondContact O-N 3.39Å; N272-C274 WeakPolarHBondContact OD1-CB 3.05Å; N272-C274 PolarHBondContact OD1-N 3.08Å; N272-V275 PolarHBondContact O-N 3.02Å; N272-V275 VanDerWaalsContact O-N 3.1Å; N272-V275 PolarHBondContact OD1-N 3.07Å; N272-S276 PolarHBondContact O-N 3.37Å; N272-N289 WeakPolarHBondContact CA-OD1 3.47Å
273	E	83.1	Confident	70	Confident	22 Å²	22	84.6 Å²	84.6	10%	0.103	48%	0.484	C	S	.	.	H	α-helix	trans	-69.6	-21.5	-176.3	-53.7	111.7	138.2	0	0	113.3	I271 V275 S276 Q277 S293 F294	I271-E273 HydrophobicContact CG2-CG 4.35Å; I271-E273 PolarHBondContact O-N 3.22Å; E273-V275 PolarHBondContact O-N 2.85Å; E273-S276 WeakPolarHBondContact CA-OG 3.41Å; E273-S276 PolarHBondContact O-N 3.03Å; E273-Q277 PolarHBondContact O-N 3.08Å; E273-Q277 VanDerWaalsContact O-N 3.13Å; E273-S293 VanDerWaalsContact OE2-C 3.25Å; E273-S293 WeakPolarHBondContact OE2-CA 3.1Å; E273-F294 HydrophobicContact CB-CD1 3.71Å; E273-F294 HydrophobicContact CB-CE1 4.29Å; E273-F294 HydrophobicContact CB-CG 4.34Å; E273-F294 HydrophobicContact CG-CD1 4.09Å; E273-F294 WeakPolarHBondContact OE2-CD1 3.14Å; E273-F294 PolarHBondContact OE2-N 3.31Å
274	C	76.3	Confident	69.9	Low	38 Å²	38	85 Å²	85	26%	0.257	50%	0.501	S	S	.	.	H	α-helix	trans	-65	-15.2	172.5	-54.1	0	0	0	0	113.4	N272 C287	N272-C274 PolarHBondContact O-N 3.39Å; N272-C274 WeakPolarHBondContact OD1-CB 3.05Å; N272-C274 PolarHBondContact OD1-N 3.08Å; C274-C287 WeakPolarHBondContact CA-SG 3.03Å; C274-C287 HydrophobicContact CB-CB 3.65Å; C274-C287 WeakPolarHBondContact CB-SG 3.32Å; C274-C287 WeakPolarHBondContact SG-CB 3.43Å; C274-C287 CovalentContact SG-SG 2.04Å; C274-C287 PolarHBondContact SG-SG 2.93Å
275	V	74.9	Confident	70.7	Confident	120 Å²	120	84.1 Å²	84.1	73%	0.727	48%	0.481	S	S	*	.	H	α-helix	trans	-113.6	-32.9	174.8	-175.8	0	0	0	0	111.8	N272 E273	N272-V275 PolarHBondContact O-N 3.02Å; N272-V275 VanDerWaalsContact O-N 3.1Å; N272-V275 PolarHBondContact OD1-N 3.07Å; E273-V275 PolarHBondContact O-N 2.85Å
276	S	71.2	Confident	71.3	Confident	77 Å²	77	81.2 Å²	81.2	54%	0.538	47%	0.465	S	S	.	.	H	α-helix	trans	-81.4	-21.1	-176.3	76.1	0	0	0	0	114.9	N272 E273	N272-S276 PolarHBondContact O-N 3.37Å; E273-S276 WeakPolarHBondContact CA-OG 3.41Å; E273-S276 PolarHBondContact O-N 3.03Å
277	Q	67.1	Low	72	Confident	113 Å²	113	81.3 Å²	81.3	53%	0.528	46%	0.461	S	S	.	.	S	Bend	trans	-115.8	140.7	176.8	-66.4	-169	54.1	0	0	112.7	E273 S279 P280	E273-Q277 PolarHBondContact O-N 3.08Å; E273-Q277 VanDerWaalsContact O-N 3.13Å; Q277-S279 PolarHBondContact O-N 2.68Å; Q277-P280 HydrophobicContact CB-CB 4.42Å; Q277-P280 WeakPolarHBondContact O-CD 3.43Å
278	S	58.4	Low	72.7	Confident	123 Å²	123	80.9 Å²	80.9	86%	0.86	46%	0.456	S	S	*	.	S	Bend	trans	-82.8	92.9	177.2	49.1	0	0	0	0	111.8
279	S	63.5	Low	72.9	Confident	108 Å²	108	80.1 Å²	80.1	76%	0.755	45%	0.447	S	S	*	.			trans	77.2	65.2	-179.2	-44.3	0	0	0	0	115.8	Q277 C281	Q277-S279 PolarHBondContact O-N 2.68Å; S279-C281 VanDerWaalsContact C-N 3.28Å; S279-C281 PolarHBondContact O-N 2.86Å
280	P	71.4	Confident	72.9	Confident	36 Å²	36	78.6 Å²	78.6	23%	0.234	44%	0.442	C	S	.	.			trans	-72.6	-15.8	175.1	32.4	-37.9	0	0	0	114	Q277 C287 F294	Q277-P280 HydrophobicContact CB-CB 4.42Å; Q277-P280 WeakPolarHBondContact O-CD 3.43Å; P280-C287 HydrophobicContact CG-CB 4.39Å; P280-F294 HydrophobicContact CB-CD2 4.27Å; P280-F294 HydrophobicContact CB-CE1 4.26Å; P280-F294 HydrophobicContact CB-CE2 3.73Å; P280-F294 HydrophobicContact CB-CZ 3.72Å; P280-F294 HydrophobicContact CG-CE2 4.43Å; P280-F294 WeakPolarHBondContact O-CE2 3.42Å
281	C	73.4	Confident	72.8	Confident	22 Å²	22	82.7 Å²	82.7	15%	0.149	47%	0.468	C	S	.	.	S	Bend	trans	-110	155.9	177.2	-65.5	0	0	0	0	112.5	S279 Q285 C296	S279-C281 VanDerWaalsContact C-N 3.28Å; S279-C281 PolarHBondContact O-N 2.86Å; C281-Q285 HydrophobicContact CB-CB 4.1Å; C281-C296 VanDerWaalsContact CA-SG 3.51Å; C281-C296 HydrophobicContact CB-CB 3.81Å; C281-C296 WeakPolarHBondContact CB-SG 3.03Å; C281-C296 VanDerWaalsContact SG-CA 3.56Å; C281-C296 WeakPolarHBondContact SG-CB 3.25Å; C281-C296 CovalentContact SG-SG 2.04Å; C281-C296 PolarHBondContact SG-SG 2.87Å
282	H	74.9	Confident	72.6	Confident	158 Å²	158	81.4 Å²	81.4	73%	0.731	47%	0.467	S	S	*	.			trans	-68.8	154.2	175.7	-73	-50.9	0	0	0	112.5	G284 Q285	H282-G284 PolarHBondContact O-N 2.82Å; H282-Q285 WeakPolarHBondContact O-CB 3.37Å; H282-Q285 PolarHBondContact O-N 2.85Å
283	R	63.2	Low	72.7	Confident	260 Å²	260	80.7 Å²	80.7	98%	0.981	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	123.8	178.8	-75.8	-175	164.8	107.5	0.3	111.3
284	G	64	Low	72.7	Confident	61 Å²	61	82.5 Å²	82.5	63%	0.629	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.5	1.8	-178.3	0	0	0	0	0	115.2	H282 N299	H282-G284 PolarHBondContact O-N 2.82Å; G284-N299 PolarHBondContact O-N 2.88Å
285	Q	73.3	Confident	72.9	Confident	74 Å²	74	85 Å²	85	35%	0.346	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	148.3	171.8	-65.6	171.6	-25.4	0	0	111.1	C281 H282 C296 Q297	C281-Q285 HydrophobicContact CB-CB 4.1Å; H282-Q285 WeakPolarHBondContact O-CB 3.37Å; H282-Q285 PolarHBondContact O-N 2.85Å; Q285-C296 HydrophobicContact CB-CB 4.15Å; Q285-Q297 CarbonylContact C-O 3.3Å; Q285-Q297 WeakPolarHBondContact CA-O 3.35Å; Q285-Q297 WeakPolarHBondContact CB-O 3.42Å
286	I	70.8	Confident	73	Confident	89 Å²	89	81.5 Å²	81.5	46%	0.456	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.2	172.5	-60.7	177.8	0	0	0	107.8	C296 Q297 N299	I286-C296 WeakPolarHBondContact O-CA 3.45Å; I286-Q297 PolarHBondContact N-O 3.48Å; I286-Q297 PolarHBondContact O-N 2.88Å; I286-N299 HydrophobicContact CD1-CB 4.26Å; I286-N299 HydrophobicContact CG1-CB 4.27Å
287	C	76.9	Confident	72.9	Confident	31 Å²	31	83.7 Å²	83.7	21%	0.209	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	128.3	172.7	-170.4	0	0	0	0	109.6	C274 P280	C274-C287 WeakPolarHBondContact CA-SG 3.03Å; C274-C287 HydrophobicContact CB-CB 3.65Å; C274-C287 WeakPolarHBondContact CB-SG 3.32Å; C274-C287 WeakPolarHBondContact SG-CB 3.43Å; C274-C287 CovalentContact SG-SG 2.04Å; C274-C287 PolarHBondContact SG-SG 2.93Å; P280-C287 HydrophobicContact CG-CB 4.39Å
288	V	78.8	Confident	72.8	Confident	59 Å²	59	88.5 Å²	88.5	36%	0.358	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.9	173	-178.6	0	0	0	0	107.7	I295	V288-I295 HydrophobicContact CB-CG1 3.95Å; V288-I295 PolarHBondContact N-O 2.84Å; V288-I295 PolarHBondContact O-N 2.88Å
289	N	77.1	Confident	72.7	Confident	47 Å²	47	86.4 Å²	86.4	25%	0.251	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	142.6	-178.8	-165.5	59.5	0	0	0	111.6	D270 N272	D270-N289 PolarHBondContact OD2-ND2 3.29Å; N272-N289 WeakPolarHBondContact CA-OD1 3.47Å
290	T	79	Confident	72.4	Confident	53 Å²	53	86 Å²	86	33%	0.325	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	163.1	176.4	67	0	0	0	0	110	G292 S293 I295	T290-G292 PolarHBondContact O-N 2.94Å; T290-S293 CarbonylContact C-O 3.59Å; T290-S293 VanDerWaalsContact C-O 3.23Å; T290-S293 VanDerWaalsContact CA-O 3.25Å; T290-S293 WeakPolarHBondContact CA-O 3.31Å; T290-S293 WeakPolarHBondContact CB-O 3.41Å; T290-S293 PolarHBondContact N-O 2.83Å; T290-S293 PolarHBondContact O-N 3.03Å; T290-S293 VanDerWaalsContact O-N 3.16Å; T290-S293 PolarHBondContact OG1-O 3.18Å; T290-I295 HydrophobicContact CG2-CD1 4.16Å; T290-I295 HydrophobicContact CG2-CG1 4.08Å; T290-I295 HydrophobicContact CG2-CG2 4.17Å
291	V	77.3	Confident	71.9	Confident	127 Å²	127	86.9 Å²	86.9	77%	0.77	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	107	-172.6	-176.9	0	0	0	0	110.8	F260	F260-V291 HydrophobicContact CE1-CG1 4.01Å; F260-V291 HydrophobicContact CZ-CG1 4Å
292	G	74.1	Confident	71.5	Confident	23 Å²	23	92.3 Å²	92.3	24%	0.237	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	-0.8	-179.6	0	0	0	0	0	115.8	F260 D270 T290	F260-G292 VanDerWaalsContact CZ-CA 3.49Å; D270-G292 WeakPolarHBondContact OD1-CA 3.28Å; D270-G292 PolarHBondContact OD1-N 2.74Å; T290-G292 PolarHBondContact O-N 2.94Å
293	S	78.5	Confident	71.4	Confident	54 Å²	54	86.4 Å²	86.4	38%	0.378	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	179.1	173.8	-149.7	0	0	0	0	113.3	E273 T290	E273-S293 VanDerWaalsContact OE2-C 3.25Å; E273-S293 WeakPolarHBondContact OE2-CA 3.1Å; T290-S293 CarbonylContact C-O 3.59Å; T290-S293 VanDerWaalsContact C-O 3.23Å; T290-S293 VanDerWaalsContact CA-O 3.25Å; T290-S293 WeakPolarHBondContact CA-O 3.31Å; T290-S293 WeakPolarHBondContact CB-O 3.41Å; T290-S293 PolarHBondContact N-O 2.83Å; T290-S293 PolarHBondContact O-N 3.03Å; T290-S293 VanDerWaalsContact O-N 3.16Å; T290-S293 PolarHBondContact OG1-O 3.18Å
294	F	82.4	Confident	71.9	Confident	59 Å²	59	76.2 Å²	76.2	26%	0.259	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	158	176.8	68.5	-78.6	0	0	0	113.7	E273 P280	E273-F294 HydrophobicContact CB-CD1 3.71Å; E273-F294 HydrophobicContact CB-CE1 4.29Å; E273-F294 HydrophobicContact CB-CG 4.34Å; E273-F294 HydrophobicContact CG-CD1 4.09Å; E273-F294 WeakPolarHBondContact OE2-CD1 3.14Å; E273-F294 PolarHBondContact OE2-N 3.31Å; P280-F294 HydrophobicContact CB-CD2 4.27Å; P280-F294 HydrophobicContact CB-CE1 4.26Å; P280-F294 HydrophobicContact CB-CE2 3.73Å; P280-F294 HydrophobicContact CB-CZ 3.72Å; P280-F294 HydrophobicContact CG-CE2 4.43Å; P280-F294 WeakPolarHBondContact O-CE2 3.42Å
295	I	79.8	Confident	72.6	Confident	90 Å²	90	85 Å²	85	46%	0.462	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.4	170.2	66.2	175.3	0	0	0	111.5	V288 T290	V288-I295 HydrophobicContact CB-CG1 3.95Å; V288-I295 PolarHBondContact N-O 2.84Å; V288-I295 PolarHBondContact O-N 2.88Å; T290-I295 HydrophobicContact CG2-CD1 4.16Å; T290-I295 HydrophobicContact CG2-CG1 4.08Å; T290-I295 HydrophobicContact CG2-CG2 4.17Å
296	C	77.6	Confident	72.8	Confident	48 Å²	48	82 Å²	82	32%	0.324	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	104.6	178.9	-59.5	0	0	0	0	111	C281 Q285 I286	C281-C296 VanDerWaalsContact CA-SG 3.51Å; C281-C296 HydrophobicContact CB-CB 3.81Å; C281-C296 WeakPolarHBondContact CB-SG 3.03Å; C281-C296 VanDerWaalsContact SG-CA 3.56Å; C281-C296 WeakPolarHBondContact SG-CB 3.25Å; C281-C296 CovalentContact SG-SG 2.04Å; C281-C296 PolarHBondContact SG-SG 2.87Å; Q285-C296 HydrophobicContact CB-CB 4.15Å; I286-C296 WeakPolarHBondContact O-CA 3.45Å
297	Q	70.3	Confident	73.4	Confident	122 Å²	122	81.7 Å²	81.7	57%	0.57	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	144.1	177.8	-167.5	171.6	-2.5	0	0	110.7	Q285 I286 N299	Q285-Q297 CarbonylContact C-O 3.3Å; Q285-Q297 WeakPolarHBondContact CA-O 3.35Å; Q285-Q297 WeakPolarHBondContact CB-O 3.42Å; I286-Q297 PolarHBondContact N-O 3.48Å; I286-Q297 PolarHBondContact O-N 2.88Å; Q297-N299 PolarHBondContact O-N 3.03Å
298	R	63.7	Low	73.7	Confident	214 Å²	214	84.4 Å²	84.4	81%	0.808	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	135.9	169	-81.8	-172.5	-179	147.1	1.9	109.7	S300	R298-S300 PolarHBondContact O-N 3.12Å; R298-S300 VanDerWaalsContact O-N 3.09Å
299	N	57.4	Low	73.8	Confident	79 Å²	79	84.9 Å²	84.9	42%	0.422	45%	0.448	S	S	.	.			trans	-64.5	109.8	172.7	-172.6	18	0	0	0	110.3	G284 I286 Q297	G284-N299 PolarHBondContact O-N 2.88Å; I286-N299 HydrophobicContact CD1-CB 4.26Å; I286-N299 HydrophobicContact CG1-CB 4.27Å; Q297-N299 PolarHBondContact O-N 3.03Å
300	S	57.4	Low	73.8	Confident	100 Å²	100	83.4 Å²	83.4	70%	0.699	44%	0.44	S	S	*	.			trans	-82.9	119	165	-166.9	0	0	0	0	107	R298 N302	R298-S300 PolarHBondContact O-N 3.12Å; R298-S300 VanDerWaalsContact O-N 3.09Å; S300-N302 PolarHBondContact O-N 3.31Å
301	V	60.1	Low	73.6	Confident	54 Å²	54	90.9 Å²	90.9	33%	0.327	47%	0.472	S	S	.	.			trans	-60.4	104.8	-169.5	178.8	0	0	0	0	110.3	C303 L309	V301-C303 PolarHBondContact O-N 3.36Å; V301-L309 HydrophobicContact CB-CD2 4.03Å; V301-L309 HydrophobicContact CG1-CD2 4.07Å
302	N	65.5	Low	73.3	Confident	137 Å²	137	91.8 Å²	91.8	73%	0.733	47%	0.468	S	S	*	.			trans	-86.9	102.4	176.1	61.8	-31.7	0	0	0	109.7	S300	S300-N302 PolarHBondContact O-N 3.31Å
303	C	72.1	Confident	73	Confident	33 Å²	33	92.5 Å²	92.5	22%	0.223	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-65.1	139.3	175	-62.2	0	0	0	0	111.3	V301 Y307 L309 C316	V301-C303 PolarHBondContact O-N 3.36Å; C303-Y307 WeakPolarHBondContact CB-O 3.01Å; C303-L309 VanDerWaalsContact SG-CD2 3.54Å; C303-C316 WeakPolarHBondContact CA-SG 3.49Å; C303-C316 HydrophobicContact CB-CB 3.92Å; C303-C316 WeakPolarHBondContact CB-SG 3.4Å; C303-C316 WeakPolarHBondContact SG-CA 3.29Å; C303-C316 WeakPolarHBondContact SG-CB 3.4Å; C303-C316 CovalentContact SG-SG 2.04Å; C303-C316 PolarHBondContact SG-SG 3.49Å
304	G	73.8	Confident	72.6	Confident	47 Å²	47	94 Å²	94	49%	0.485	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-66.7	169.1	174.7	0	0	0	0	0	111.9	G306 Y307	G304-G306 PolarHBondContact O-N 3.09Å; G304-Y307 PolarHBondContact O-N 3.48Å; G304-Y307 VanDerWaalsContact O-N 3.08Å
305	R	78.9	Confident	72.2	Confident	244 Å²	244	98.4 Å²	98.4	92%	0.921	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	139.2	171.5	-63.2	-176.8	-179	-176.5	0.1	109.7
306	G	77.4	Confident	72.3	Confident	13 Å²	13	96.5 Å²	96.5	13%	0.134	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	0.4	-173	0	0	0	0	0	115.2	G304 I319	G304-G306 PolarHBondContact O-N 3.09Å; G306-I319 PolarHBondContact O-N 2.91Å
307	Y	84.1	Confident	72.6	Confident	81 Å²	81	96.3 Å²	96.3	32%	0.318	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.7	-180	-63.3	-93.1	0	0	0	112.7	C303 G304 C316 V317 D318 L338 G339	C303-Y307 WeakPolarHBondContact CB-O 3.01Å; G304-Y307 PolarHBondContact O-N 3.48Å; G304-Y307 VanDerWaalsContact O-N 3.08Å; Y307-C316 HydrophobicContact CD1-CB 4.34Å; Y307-C316 HydrophobicContact CG-CB 4.47Å; Y307-V317 CarbonylContact C-O 3.54Å; Y307-V317 VanDerWaalsContact CA-O 3.27Å; Y307-V317 WeakPolarHBondContact CA-O 3.04Å; Y307-D318 HydrophobicContact CE1-CB 4.41Å; Y307-L338 PolarHBondContact OH-O 3.29Å; Y307-L338 VanDerWaalsContact OH-O 3.12Å; Y307-G339 PolarHBondContact OH-N 3.03Å
308	H	83.1	Confident	73.4	Confident	88 Å²	88	92 Å²	92	41%	0.407	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	161.6	171.7	77.4	94.7	0	0	0	111.4	C316 V317 I319	H308-C316 CarbonylContact O-C 3.23Å; H308-C316 WeakPolarHBondContact O-CA 3.3Å; H308-V317 PolarHBondContact CD2-O 2.97Å; H308-V317 PolarHBondContact N-O 2.04Å; H308-V317 PolarHBondContact O-N 3.34Å; H308-I319 HydrophobicContact CB-CD1 4.33Å; H308-I319 HydrophobicContact CB-CG1 4Å
309	L	79.6	Confident	74.5	Confident	69 Å²	69	85.1 Å²	85.1	36%	0.361	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	141.9	171.1	-76.5	167.9	0	0	0	110.8	V301 C303	V301-L309 HydrophobicContact CB-CD2 4.03Å; V301-L309 HydrophobicContact CG1-CD2 4.07Å; C303-L309 VanDerWaalsContact SG-CD2 3.54Å
310	N	78.5	Confident	75.8	Confident	16 Å²	16	83.7 Å²	83.7	9%	0.086	44%	0.44	C	S	.	.			trans	-63.9	165.2	164.2	71.9	-43.2	0	0	0	111.4	E312 G313 T314 R315 V317	N310-E312 PolarHBondContact ND2-OE2 2.97Å; N310-E312 PolarHBondContact O-N 2.04Å; N310-G313 PolarHBondContact O-N 3.28Å; N310-G313 PolarHBondContact OD1-N 3.38Å; N310-T314 PolarHBondContact ND2-OG1 3.38Å; N310-T314 VanDerWaalsContact ND2-OG1 3.11Å; N310-T314 PolarHBondContact OD1-N 2.03Å; N310-T314 PolarHBondContact OD1-OG1 3.1Å; N310-R315 HydrophobicContact CB-CG 4.04Å; N310-R315 VanDerWaalsContact CG-CG 3.47Å; N310-R315 PolarHBondContact N-O 2.84Å; N310-R315 WeakPolarHBondContact OD1-CG 3.08Å; N310-R315 PolarHBondContact OD1-N 3.46Å; N310-R315 PolarHBondContact OD1-O 2.99Å; N310-R315 VanDerWaalsContact OD1-O 3.08Å; N310-V317 HydrophobicContact CB-CG2 4.04Å
311	E	74.4	Confident	77.2	Confident	210 Å²	210	80.7 Å²	80.7	98%	0.981	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.6	-177.2	-58.9	-178.7	147.4	0	0	114.3
312	E	71.2	Confident	78.3	Confident	147 Å²	147	80.2 Å²	80.2	69%	0.687	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-11.1	177.8	-49.8	168.6	148.1	0	0	113.4	N310 T314	N310-E312 PolarHBondContact ND2-OE2 2.97Å; N310-E312 PolarHBondContact O-N 2.04Å; E312-T314 VanDerWaalsContact C-N 3.3Å; E312-T314 HydrophobicContact CB-CG2 3.98Å; E312-T314 PolarHBondContact O-N 3.22Å; E312-T314 PolarHBondContact OE2-OG1 2.9Å; E312-T314 VanDerWaalsContact OE2-OG1 3.08Å
313	G	67.2	Low	79.2	Confident	37 Å²	37	81.7 Å²	81.7	38%	0.381	41%	0.413	S	S	.	.	S	Bend	trans	70.5	18.3	-175.6	0	0	0	0	0	115.1	N310	N310-G313 PolarHBondContact O-N 3.28Å; N310-G313 PolarHBondContact OD1-N 3.38Å
314	T	69.2	Low	79.3	Confident	87 Å²	87	82.3 Å²	82.3	53%	0.534	43%	0.425	S	S	.	.	S	Bend	trans	-103.2	-26.4	-168.9	52.4	0	0	0	0	114.5	N310 E312	N310-T314 PolarHBondContact ND2-OG1 3.38Å; N310-T314 VanDerWaalsContact ND2-OG1 3.11Å; N310-T314 PolarHBondContact OD1-N 2.03Å; N310-T314 PolarHBondContact OD1-OG1 3.1Å; E312-T314 VanDerWaalsContact C-N 3.3Å; E312-T314 HydrophobicContact CB-CG2 3.98Å; E312-T314 PolarHBondContact O-N 3.22Å; E312-T314 PolarHBondContact OE2-OG1 2.9Å; E312-T314 VanDerWaalsContact OE2-OG1 3.08Å
315	R	74.6	Confident	78.6	Confident	150 Å²	150	85.5 Å²	85.5	57%	0.566	45%	0.447	S	S	*	.	S	Bend	trans	-145.3	150.1	-176.8	59.1	176.5	177.3	109.7	0.6	112.2	N310	N310-R315 HydrophobicContact CB-CG 4.04Å; N310-R315 VanDerWaalsContact CG-CG 3.47Å; N310-R315 PolarHBondContact N-O 2.84Å; N310-R315 WeakPolarHBondContact OD1-CG 3.08Å; N310-R315 PolarHBondContact OD1-N 3.46Å; N310-R315 PolarHBondContact OD1-O 2.99Å; N310-R315 VanDerWaalsContact OD1-O 3.08Å
316	C	81.5	Confident	78	Confident	50 Å²	50	81.8 Å²	81.8	34%	0.338	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	136.1	171.6	-60.3	0	0	0	0	110.9	C303 Y307 H308	C303-C316 WeakPolarHBondContact CA-SG 3.49Å; C303-C316 HydrophobicContact CB-CB 3.92Å; C303-C316 WeakPolarHBondContact CB-SG 3.4Å; C303-C316 WeakPolarHBondContact SG-CA 3.29Å; C303-C316 WeakPolarHBondContact SG-CB 3.4Å; C303-C316 CovalentContact SG-SG 2.04Å; C303-C316 PolarHBondContact SG-SG 3.49Å; Y307-C316 HydrophobicContact CD1-CB 4.34Å; Y307-C316 HydrophobicContact CG-CB 4.47Å; H308-C316 CarbonylContact O-C 3.23Å; H308-C316 WeakPolarHBondContact O-CA 3.3Å
317	V	84.9	Confident	77.6	Confident	44 Å²	44	88.8 Å²	88.8	27%	0.267	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.8	175.8	-177.4	0	0	0	0	107.6	Y307 H308 N310	Y307-V317 CarbonylContact C-O 3.54Å; Y307-V317 VanDerWaalsContact CA-O 3.27Å; Y307-V317 WeakPolarHBondContact CA-O 3.04Å; H308-V317 PolarHBondContact CD2-O 2.97Å; H308-V317 PolarHBondContact N-O 2.04Å; H308-V317 PolarHBondContact O-N 3.34Å; N310-V317 HydrophobicContact CB-CG2 4.04Å
318	D	86.8	Confident	77.4	Confident	33 Å²	33	87.1 Å²	87.1	18%	0.176	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	134.4	177.7	-172.2	49.4	0	0	0	111.6	Y307 D320 N336 L338 G339	Y307-D318 HydrophobicContact CE1-CB 4.41Å; D318-D320 PolarHBondContact O-N 2.69Å; D318-N336 PolarHBondContact OD2-ND2 3.46Å; D318-L338 HydrophobicContact CB-CD2 4.03Å; D318-L338 WeakPolarHBondContact OD1-CA 3.5Å; D318-G339 PolarHBondContact OD1-N 2.63Å
319	I	86.9	Confident	77.3	Confident	68 Å²	68	83 Å²	83	35%	0.349	45%	0.448	S	S	.	.			trans	-85.7	107.1	174.5	-58.4	172.6	0	0	0	107.7	G306 H308 E321	G306-I319 PolarHBondContact O-N 2.91Å; H308-I319 HydrophobicContact CB-CD1 4.33Å; H308-I319 HydrophobicContact CB-CG1 4Å; I319-E321 VanDerWaalsContact C-N 3.29Å; I319-E321 HydrophobicContact CB-CG 4.47Å; I319-E321 HydrophobicContact CG2-CG 3.97Å; I319-E321 VanDerWaalsContact O-CD 3.27Å; I319-E321 WeakPolarHBondContact O-CG 3.2Å; I319-E321 PolarHBondContact O-N 3.45Å
320	D	84.6	Confident	77.2	Confident	49 Å²	49	83.6 Å²	83.6	26%	0.262	46%	0.458	S	S	.	.			trans	-73.6	83.6	175.8	-165.2	-34.5	0	0	0	111	D318 C322 K323	D318-D320 PolarHBondContact O-N 2.69Å; D320-C322 PolarHBondContact O-N 3Å; D320-C322 PolarHBondContact OD1-N 3.06Å; D320-K323 HydrophobicContact CB-CD 4.29Å; D320-K323 PolarHBondContact O-N 3.29Å; D320-K323 PolarHBondContact OD1-N 2.94Å; D320-K323 WeakPolarHBondContact OD2-CE 3.47Å; D320-K323 IonicContact OD2-NZ 3.68Å; D320-K323 PolarHBondContact OD2-NZ 3.02Å
321	E	86.2	Confident	77.1	Confident	37 Å²	37	85.3 Å²	85.3	17%	0.173	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-63.7	-23.9	-174.8	-61.5	121.8	152.4	0	0	112.1	I319 K323 G324 V328 Y341	I319-E321 VanDerWaalsContact C-N 3.29Å; I319-E321 HydrophobicContact CB-CG 4.47Å; I319-E321 HydrophobicContact CG2-CG 3.97Å; I319-E321 VanDerWaalsContact O-CD 3.27Å; I319-E321 WeakPolarHBondContact O-CG 3.2Å; I319-E321 PolarHBondContact O-N 3.45Å; E321-K323 PolarHBondContact O-N 3.4Å; E321-G324 PolarHBondContact O-N 3.03Å; E321-V328 HydrophobicContact CB-CG2 4.47Å; E321-V328 WeakPolarHBondContact O-CG2 3.2Å; E321-Y341 HydrophobicContact CB-CD1 3.84Å; E321-Y341 HydrophobicContact CB-CG 4.33Å; E321-Y341 HydrophobicContact CG-CD1 4.05Å; E321-Y341 VanDerWaalsContact OE2-CD1 3.31Å; E321-Y341 WeakPolarHBondContact OE2-CD1 3.37Å; E321-Y341 PolarHBondContact OE2-N 2.93Å
322	C	84.8	Confident	77.6	Confident	44 Å²	44	76.5 Å²	76.5	30%	0.297	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-72.6	-9.3	175.8	-57.4	0	0	0	0	114.3	D320 C334 I335 N336	D320-C322 PolarHBondContact O-N 3Å; D320-C322 PolarHBondContact OD1-N 3.06Å; C322-C334 WeakPolarHBondContact CA-SG 3.46Å; C322-C334 HydrophobicContact CB-CB 3.72Å; C322-C334 WeakPolarHBondContact CB-SG 3.49Å; C322-C334 WeakPolarHBondContact SG-CB 3.33Å; C322-C334 CovalentContact SG-SG 2.04Å; C322-C334 PolarHBondContact SG-SG 2.92Å; C322-I335 PolarHBondContact SG-N 3.3Å; C322-I335 VanDerWaalsContact SG-N 3.4Å; C322-N336 PolarHBondContact SG-N 2.76Å
323	K	83.1	Confident	78.3	Confident	169 Å²	169	72 Å²	72	74%	0.735	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-102.5	6.5	172.4	-68.4	176.9	-178.5	129.9	0	113.3	D320 E321	D320-K323 HydrophobicContact CB-CD 4.29Å; D320-K323 PolarHBondContact O-N 3.29Å; D320-K323 PolarHBondContact OD1-N 2.94Å; D320-K323 WeakPolarHBondContact OD2-CE 3.47Å; D320-K323 IonicContact OD2-NZ 3.68Å; D320-K323 PolarHBondContact OD2-NZ 3.02Å; E321-K323 PolarHBondContact O-N 3.4Å
324	G	73.6	Confident	79.3	Confident	45 Å²	45	72.2 Å²	72.2	46%	0.464	42%	0.422	S	S	.	.	S	Bend	trans	-64.1	160.7	175.9	0	0	0	0	0	113.5	E321 E326	E321-G324 PolarHBondContact O-N 3.03Å; G324-E326 VanDerWaalsContact C-N 3.29Å
325	A	60.6	Low	80.1	Confident	114 Å²	114	71.1 Å²	71.1	94%	0.942	41%	0.412	S	S	*	.	S	Bend	trans	-75.8	-18	174.7	0	0	0	0	0	113.2
326	E	65.1	Low	80.7	Confident	166 Å²	166	66 Å²	66	78%	0.776	40%	0.396	S	S	*	.	S	Bend	trans	-97.7	133.7	173.8	-63.4	-178.6	165.9	0	0	109.3	G324 V328	G324-E326 VanDerWaalsContact C-N 3.29Å; E326-V328 VanDerWaalsContact C-N 3.35Å; E326-V328 WeakPolarHBondContact O-CG2 3.12Å; E326-V328 PolarHBondContact O-N 2.83Å
327	Q	70.1	Confident	80.9	Confident	160 Å²	160	68.3 Å²	68.3	75%	0.748	40%	0.402	S	S	*	.			trans	-77	83.9	-178.4	-69.7	-177.1	-10.3	0	0	110.8	C329 S330	Q327-C329 VanDerWaalsContact C-N 3.25Å; Q327-C329 PolarHBondContact O-N 2.04Å; Q327-C329 VanDerWaalsContact O-N 3.13Å; Q327-S330 PolarHBondContact O-N 2.03Å
328	V	79.1	Confident	80.9	Confident	46 Å²	46	73 Å²	73	28%	0.279	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-37.6	-170.8	-169.9	0	0	0	0	113.6	E321 E326 S330 Y341 L357	E321-V328 HydrophobicContact CB-CG2 4.47Å; E321-V328 WeakPolarHBondContact O-CG2 3.2Å; E326-V328 VanDerWaalsContact C-N 3.35Å; E326-V328 WeakPolarHBondContact O-CG2 3.12Å; E326-V328 PolarHBondContact O-N 2.83Å; V328-S330 VanDerWaalsContact C-N 3.33Å; V328-S330 PolarHBondContact O-N 2.97Å; V328-Y341 HydrophobicContact CG1-CD1 4.28Å; V328-Y341 HydrophobicContact CG1-CD2 4.14Å; V328-Y341 HydrophobicContact CG1-CE1 3.72Å; V328-Y341 HydrophobicContact CG1-CE2 3.59Å; V328-Y341 HydrophobicContact CG1-CG 4.47Å; V328-L357 WeakPolarHBondContact O-CD2 3.4Å
329	C	80.9	Confident	80.7	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.014	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	21.2	178.3	-66.2	0	0	0	0	114.6	Q327 G331 H332 C334 C343	Q327-C329 VanDerWaalsContact C-N 3.25Å; Q327-C329 PolarHBondContact O-N 2.04Å; Q327-C329 VanDerWaalsContact O-N 3.13Å; C329-G331 PolarHBondContact O-N 2.9Å; C329-H332 HydrophobicContact CB-CB 4.49Å; C329-H332 WeakPolarHBondContact CB-O 3.46Å; C329-H332 PolarHBondContact O-CD2 3.18Å; C329-H332 PolarHBondContact O-N 3.19Å; C329-C334 HydrophobicContact CB-CB 4.27Å; C329-C343 WeakPolarHBondContact CA-SG 3.36Å; C329-C343 HydrophobicContact CB-CB 3.78Å; C329-C343 WeakPolarHBondContact CB-SG 3.47Å; C329-C343 WeakPolarHBondContact SG-CA 3.34Å; C329-C343 WeakPolarHBondContact SG-CB 3.26Å; C329-C343 CovalentContact SG-SG 2.04Å; C329-C343 PolarHBondContact SG-SG 3.17Å
330	S	78.2	Confident	80.6	Confident	82 Å²	82	70.2 Å²	70.2	57%	0.573	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	25.2	174.1	-52.5	0	0	0	0	115.9	Q327 V328	Q327-S330 PolarHBondContact O-N 2.03Å; V328-S330 VanDerWaalsContact C-N 3.33Å; V328-S330 PolarHBondContact O-N 2.97Å
331	G	76.2	Confident	80.6	Confident	52 Å²	52	69.7 Å²	69.7	54%	0.536	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.7	-21.3	-177.8	0	0	0	0	0	114.3	C329	C329-G331 PolarHBondContact O-N 2.9Å
332	H	83.8	Confident	80.5	Confident	24 Å²	24	72 Å²	72	11%	0.111	42%	0.418	C	S	.	.	S	Bend	trans	-78.2	169.5	176.3	-53.5	-72.4	0	0	0	112.5	C329 C334 E346 Y349 C358	C329-H332 HydrophobicContact CB-CB 4.49Å; C329-H332 WeakPolarHBondContact CB-O 3.46Å; C329-H332 PolarHBondContact O-CD2 3.18Å; C329-H332 PolarHBondContact O-N 3.19Å; H332-C334 PolarHBondContact O-N 3.35Å; H332-E346 IonicContact CE1-OE2 3.58Å; H332-E346 IonicContact ND1-OE2 2.67Å; H332-Y349 AromaticContact CE1-CD1 3.84Å; H332-Y349 AromaticContact CE1-CD2 3.57Å; H332-Y349 AromaticContact CE1-CE1 3.89Å; H332-Y349 AromaticContact CE1-CE2 3.63Å; H332-Y349 AromaticContact CE1-CG 3.69Å; H332-Y349 AromaticContact CE1-CZ 3.78Å; H332-Y349 AromaticContact NE2-CD1 3.68Å; H332-Y349 AromaticContact NE2-CE1 3.75Å; H332-Y349 AromaticContact NE2-CG 3.95Å; H332-C358 WeakPolarHBondContact CD2-CB 3.34Å
333	A	86.9	Confident	80.6	Confident	53 Å²	53	70.1 Å²	70.1	44%	0.438	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	129.1	-176.3	0	0	0	0	0	112.2	C343 E344	A333-C343 CarbonylContact O-C 3.49Å; A333-C343 WeakPolarHBondContact O-CA 3.48Å; A333-E344 HydrophobicContact CB-CB 4.26Å; A333-E344 PolarHBondContact N-O 2.94Å; A333-E344 PolarHBondContact O-N 3.03Å
334	C	88	Confident	80.9	Confident	41 Å²	41	66.8 Å²	66.8	28%	0.277	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.7	177.3	-171.6	0	0	0	0	110.4	C322 C329 H332	C322-C334 WeakPolarHBondContact CA-SG 3.46Å; C322-C334 HydrophobicContact CB-CB 3.72Å; C322-C334 WeakPolarHBondContact CB-SG 3.49Å; C322-C334 WeakPolarHBondContact SG-CB 3.33Å; C322-C334 CovalentContact SG-SG 2.04Å; C322-C334 PolarHBondContact SG-SG 2.92Å; C329-C334 HydrophobicContact CB-CB 4.27Å; H332-C334 PolarHBondContact O-N 3.35Å
335	I	87.3	Confident	81.6	Confident	64 Å²	64	66.3 Å²	66.3	33%	0.328	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	112	176.3	-65	169.8	0	0	0	109	C322 R342 E344	C322-I335 PolarHBondContact SG-N 3.3Å; C322-I335 VanDerWaalsContact SG-N 3.4Å; I335-R342 HydrophobicContact CB-CG 4.17Å; I335-R342 PolarHBondContact N-O 3.47Å; I335-R342 PolarHBondContact O-N 2.74Å; I335-E344 HydrophobicContact CD1-CB 4.32Å; I335-E344 WeakPolarHBondContact CD1-OE2 3.37Å
336	N	86.2	Confident	82.9	Confident	43 Å²	43	66.4 Å²	66.4	23%	0.23	36%	0.363	C	S	.	.			trans	-66.4	143.3	179.1	-174.1	31.8	0	0	0	111.6	D318 C322	D318-N336 PolarHBondContact OD2-ND2 3.46Å; C322-N336 PolarHBondContact SG-N 2.76Å
337	Q	85.9	Confident	83.9	Confident	99 Å²	99	65 Å²	65	46%	0.463	37%	0.366	S	S	.	.			trans	-141.2	155.6	172.8	-25.5	-172.4	-95.2	0	0	109.4	G339 S340 R342	Q337-G339 PolarHBondContact O-N 3.2Å; Q337-S340 CarbonylContact C-O 3.57Å; Q337-S340 WeakPolarHBondContact CA-O 3.04Å; Q337-S340 WeakPolarHBondContact CB-O 3.5Å; Q337-S340 WeakPolarHBondContact CG-O 3.5Å; Q337-S340 PolarHBondContact N-O 3.45Å; Q337-S340 CarbonylContact O-C 3.56Å; Q337-S340 VanDerWaalsContact O-C 3.24Å; Q337-S340 PolarHBondContact O-N 3.47Å; Q337-R342 HydrophobicContact CG-CG 4.02Å
338	L	85.1	Confident	84.6	Confident	142 Å²	142	58.2 Å²	58.2	74%	0.743	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	103.8	-170.9	-64.5	175.1	0	0	0	113	Y307 D318	Y307-L338 PolarHBondContact OH-O 3.29Å; Y307-L338 VanDerWaalsContact OH-O 3.12Å; D318-L338 HydrophobicContact CB-CD2 4.03Å; D318-L338 WeakPolarHBondContact OD1-CA 3.5Å
339	G	82.1	Confident	85.2	Confident	18 Å²	18	58.5 Å²	58.5	19%	0.186	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	6.2	-177.8	0	0	0	0	0	115.6	Y307 D318 Q337	Y307-G339 PolarHBondContact OH-N 3.03Å; D318-G339 PolarHBondContact OD1-N 2.63Å; Q337-G339 PolarHBondContact O-N 3.2Å
340	S	84.2	Confident	85.6	Confident	25 Å²	25	61.8 Å²	61.8	18%	0.175	35%	0.353	C	S	.	.			trans	-177.4	128.4	173.7	-176.6	0	0	0	0	111.8	Q337 R356	Q337-S340 CarbonylContact C-O 3.57Å; Q337-S340 WeakPolarHBondContact CA-O 3.04Å; Q337-S340 WeakPolarHBondContact CB-O 3.5Å; Q337-S340 WeakPolarHBondContact CG-O 3.5Å; Q337-S340 PolarHBondContact N-O 3.45Å; Q337-S340 CarbonylContact O-C 3.56Å; Q337-S340 VanDerWaalsContact O-C 3.24Å; Q337-S340 PolarHBondContact O-N 3.47Å; S340-R356 PolarHBondContact OG-NH1 3.39Å
341	Y	85.6	Confident	86.1	Confident	38 Å²	38	62.3 Å²	62.3	15%	0.149	35%	0.345	C	S	.	.			trans	-56.3	161.2	158	71.4	-79.6	0	0	0	114.1	E321 V328	E321-Y341 HydrophobicContact CB-CD1 3.84Å; E321-Y341 HydrophobicContact CB-CG 4.33Å; E321-Y341 HydrophobicContact CG-CD1 4.05Å; E321-Y341 VanDerWaalsContact OE2-CD1 3.31Å; E321-Y341 WeakPolarHBondContact OE2-CD1 3.37Å; E321-Y341 PolarHBondContact OE2-N 2.93Å; V328-Y341 HydrophobicContact CG1-CD1 4.28Å; V328-Y341 HydrophobicContact CG1-CD2 4.14Å; V328-Y341 HydrophobicContact CG1-CE1 3.72Å; V328-Y341 HydrophobicContact CG1-CE2 3.59Å; V328-Y341 HydrophobicContact CG1-CG 4.47Å
342	R	83.8	Confident	86.6	Confident	84 Å²	84	61.6 Å²	61.6	32%	0.317	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.6	156.2	60.8	175.9	-99.1	-89.4	-0.9	110.2	I335 Q337 E344	I335-R342 HydrophobicContact CB-CG 4.17Å; I335-R342 PolarHBondContact N-O 3.47Å; I335-R342 PolarHBondContact O-N 2.74Å; Q337-R342 HydrophobicContact CG-CG 4.02Å; R342-E344 IonicContact CZ-OE2 2.99Å; R342-E344 IonicContact NH1-OE2 2.76Å; R342-E344 IonicContact NH2-OE2 2.65Å; R342-E344 PolarHBondContact NH2-OE2 3.07Å
343	C	87.4	Confident	86.5	Confident	6 Å²	6	65 Å²	65	4%	0.041	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	141.2	168.3	-56.2	0	0	0	0	110.1	C329 A333 F351	C329-C343 WeakPolarHBondContact CA-SG 3.36Å; C329-C343 HydrophobicContact CB-CB 3.78Å; C329-C343 WeakPolarHBondContact CB-SG 3.47Å; C329-C343 WeakPolarHBondContact SG-CA 3.34Å; C329-C343 WeakPolarHBondContact SG-CB 3.26Å; C329-C343 CovalentContact SG-SG 2.04Å; C329-C343 PolarHBondContact SG-SG 3.17Å; A333-C343 CarbonylContact O-C 3.49Å; A333-C343 WeakPolarHBondContact O-CA 3.48Å; C343-F351 HydrophobicContact CB-CD2 4.27Å; C343-F351 HydrophobicContact CB-CE2 4.16Å
344	E	88	Confident	86.3	Confident	99 Å²	99	69.7 Å²	69.7	46%	0.463	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	109.2	171	-171.7	161.7	163.7	0	0	108	A333 I335 R342	A333-E344 HydrophobicContact CB-CB 4.26Å; A333-E344 PolarHBondContact N-O 2.94Å; A333-E344 PolarHBondContact O-N 3.03Å; I335-E344 HydrophobicContact CD1-CB 4.32Å; I335-E344 WeakPolarHBondContact CD1-OE2 3.37Å; R342-E344 IonicContact CZ-OE2 2.99Å; R342-E344 IonicContact NH1-OE2 2.76Å; R342-E344 IonicContact NH2-OE2 2.65Å; R342-E344 PolarHBondContact NH2-OE2 3.07Å
345	C	89.2	Confident	86	Confident	35 Å²	35	70.8 Å²	70.8	24%	0.236	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-81.1	144.1	-167.2	-54.1	0	0	0	0	112.2	C358	C345-C358 WeakPolarHBondContact CA-SG 3.37Å; C345-C358 HydrophobicContact CB-CB 3.71Å; C345-C358 WeakPolarHBondContact CB-SG 3.45Å; C345-C358 WeakPolarHBondContact SG-CA 3.4Å; C345-C358 WeakPolarHBondContact SG-CB 3.27Å; C345-C358 CovalentContact SG-SG 2.04Å; C345-C358 PolarHBondContact SG-SG 2.76Å
346	E	87.7	Confident	85.6	Confident	115 Å²	115	73.2 Å²	73.2	54%	0.537	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-75.1	165.1	177	-65.1	-177.5	152.3	0	0	111.6	H332 G348 Y349	H332-E346 IonicContact CE1-OE2 3.58Å; H332-E346 IonicContact ND1-OE2 2.67Å; E346-G348 PolarHBondContact O-N 3.5Å; E346-Y349 HydrophobicContact CB-CD2 4.4Å; E346-Y349 WeakPolarHBondContact O-CB 3.48Å; E346-Y349 PolarHBondContact O-N 3.4Å
347	T	86.5	Confident	85.5	Confident	137 Å²	137	73.8 Å²	73.8	84%	0.84	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	129	177.7	50.2	0	0	0	0	110.9
348	G	85.3	Confident	85.6	Confident	18 Å²	18	69.7 Å²	69.7	19%	0.186	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.7	-8	-172.2	0	0	0	0	0	114	E346 I361	E346-G348 PolarHBondContact O-N 3.5Å; G348-I361 VanDerWaalsContact O-CB 3.27Å; G348-I361 WeakPolarHBondContact O-CB 3.3Å; G348-I361 WeakPolarHBondContact O-CG1 3.36Å; G348-I361 PolarHBondContact O-N 3.01Å
349	Y	90.4	Very high	85.7	Confident	52 Å²	52	66.2 Å²	66.2	20%	0.204	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147.5	-179.6	-63.3	-97.2	0	0	0	112.1	H332 E346 E359 D360 P380 G381	H332-Y349 AromaticContact CE1-CD1 3.84Å; H332-Y349 AromaticContact CE1-CD2 3.57Å; H332-Y349 AromaticContact CE1-CE1 3.89Å; H332-Y349 AromaticContact CE1-CE2 3.63Å; H332-Y349 AromaticContact CE1-CG 3.69Å; H332-Y349 AromaticContact CE1-CZ 3.78Å; H332-Y349 AromaticContact NE2-CD1 3.68Å; H332-Y349 AromaticContact NE2-CE1 3.75Å; H332-Y349 AromaticContact NE2-CG 3.95Å; E346-Y349 HydrophobicContact CB-CD2 4.4Å; E346-Y349 WeakPolarHBondContact O-CB 3.48Å; E346-Y349 PolarHBondContact O-N 3.4Å; Y349-E359 CarbonylContact C-O 3.33Å; Y349-E359 WeakPolarHBondContact CA-O 3.47Å; Y349-D360 HydrophobicContact CD1-CB 4.32Å; Y349-D360 HydrophobicContact CE1-CB 4.13Å; Y349-P380 VanDerWaalsContact OH-CB 3.32Å; Y349-P380 WeakPolarHBondContact OH-CB 3.28Å; Y349-G381 VanDerWaalsContact CE2-CA 3.42Å; Y349-G381 PolarHBondContact OH-N 3.35Å
350	N	89.6	Confident	86.2	Confident	70 Å²	70	67.9 Å²	67.9	37%	0.374	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	154.7	171	71.8	67.2	0	0	0	110.7	C358 E359 I361	N350-C358 CarbonylContact O-C 3.58Å; N350-C358 VanDerWaalsContact O-CA 3.29Å; N350-C358 WeakPolarHBondContact O-CA 3.44Å; N350-E359 PolarHBondContact N-O 3.41Å; N350-E359 PolarHBondContact O-N 2.92Å; N350-I361 HydrophobicContact CB-CD1 4.19Å; N350-I361 HydrophobicContact CB-CG1 3.9Å
351	F	88	Confident	86.5	Confident	93 Å²	93	69.2 Å²	69.2	41%	0.408	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	111.9	174.1	-179.6	-101.3	0	0	0	110.2	C343 R356	C343-F351 HydrophobicContact CB-CD2 4.27Å; C343-F351 HydrophobicContact CB-CE2 4.16Å; F351-R356 WeakPolarHBondContact CE2-O 3.43Å; F351-R356 HydrophobicContact CZ-CB 4.49Å
352	N	86.9	Confident	86.8	Confident	38 Å²	38	70.6 Å²	70.6	20%	0.203	37%	0.366	C	S	.	.			trans	-84.3	115.4	175.2	179.3	-26.8	0	0	0	109.7	I354 T355 R356 L357 E359	N352-I354 PolarHBondContact O-N 3.25Å; N352-I354 WeakPolarHBondContact OD1-CB 3.34Å; N352-I354 PolarHBondContact OD1-N 3.17Å; N352-T355 VanDerWaalsContact CB-OG1 3.29Å; N352-T355 WeakPolarHBondContact CB-OG1 3.29Å; N352-T355 VanDerWaalsContact CG-OG1 3.23Å; N352-T355 PolarHBondContact OD1-N 3.07Å; N352-R356 VanDerWaalsContact O-CA 3.22Å; N352-R356 WeakPolarHBondContact O-CA 3.02Å; N352-R356 PolarHBondContact O-N 3.12Å; N352-L357 PolarHBondContact N-O 2.99Å; N352-E359 VanDerWaalsContact CB-CD 3.5Å; N352-E359 HydrophobicContact CB-CG 4.2Å; N352-E359 WeakPolarHBondContact CB-OE1 3.45Å; N352-E359 PolarHBondContact ND2-OE1 3.02Å; N352-E359 PolarHBondContact ND2-OE2 3.42Å
353	S	82.8	Confident	87.1	Confident	96 Å²	96	67.8 Å²	67.8	67%	0.671	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.2	-176.2	58	0	0	0	0	115
354	I	82.2	Confident	87.3	Confident	150 Å²	150	68.7 Å²	68.7	77%	0.769	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-49.7	179	-57	175.5	0	0	0	110.2	N352	N352-I354 PolarHBondContact O-N 3.25Å; N352-I354 WeakPolarHBondContact OD1-CB 3.34Å; N352-I354 PolarHBondContact OD1-N 3.17Å
355	T	81.9	Confident	87.4	Confident	65 Å²	65	74.2 Å²	74.2	40%	0.399	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-19.4	178	58.6	0	0	0	0	112.7	N352 L357 E359	N352-T355 VanDerWaalsContact CB-OG1 3.29Å; N352-T355 WeakPolarHBondContact CB-OG1 3.29Å; N352-T355 VanDerWaalsContact CG-OG1 3.23Å; N352-T355 PolarHBondContact OD1-N 3.07Å; T355-L357 PolarHBondContact O-N 3.3Å; T355-E359 WeakPolarHBondContact CB-OE1 3.4Å; T355-E359 VanDerWaalsContact CG2-OE1 3.26Å; T355-E359 WeakPolarHBondContact CG2-OE1 3.44Å; T355-E359 PolarHBondContact OG1-OE1 3.25Å
356	R	79.5	Confident	87.2	Confident	114 Å²	114	78.3 Å²	78.3	43%	0.43	40%	0.395	S	S	.	.			trans	63.6	14.6	-174.9	-57.2	176.5	164.2	-143.7	-10.8	114.6	S340 F351 N352	S340-R356 PolarHBondContact OG-NH1 3.39Å; F351-R356 WeakPolarHBondContact CE2-O 3.43Å; F351-R356 HydrophobicContact CZ-CB 4.49Å; N352-R356 VanDerWaalsContact O-CA 3.22Å; N352-R356 WeakPolarHBondContact O-CA 3.02Å; N352-R356 PolarHBondContact O-N 3.12Å
357	L	82.6	Confident	87.2	Confident	55 Å²	55	78.4 Å²	78.4	29%	0.288	39%	0.391	S	S	.	.	S	Bend	trans	-107.5	165.9	179.6	-65.1	176.9	0	0	0	111	V328 N352 T355	V328-L357 WeakPolarHBondContact O-CD2 3.4Å; N352-L357 PolarHBondContact N-O 2.99Å; T355-L357 PolarHBondContact O-N 3.3Å
358	C	88.1	Confident	86.9	Confident	13 Å²	13	76.4 Å²	76.4	9%	0.088	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.3	168.2	-63.3	0	0	0	0	108.8	H332 C345 N350	H332-C358 WeakPolarHBondContact CD2-CB 3.34Å; C345-C358 WeakPolarHBondContact CA-SG 3.37Å; C345-C358 HydrophobicContact CB-CB 3.71Å; C345-C358 WeakPolarHBondContact CB-SG 3.45Å; C345-C358 WeakPolarHBondContact SG-CA 3.4Å; C345-C358 WeakPolarHBondContact SG-CB 3.27Å; C345-C358 CovalentContact SG-SG 2.04Å; C345-C358 PolarHBondContact SG-SG 2.76Å; N350-C358 CarbonylContact O-C 3.58Å; N350-C358 VanDerWaalsContact O-CA 3.29Å; N350-C358 WeakPolarHBondContact O-CA 3.44Å
359	E	88.5	Confident	86.4	Confident	69 Å²	69	79.4 Å²	79.4	32%	0.322	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.3	-179	-74.7	173	-161.7	0	0	110.2	Y349 N350 N352 T355 I361	Y349-E359 CarbonylContact C-O 3.33Å; Y349-E359 WeakPolarHBondContact CA-O 3.47Å; N350-E359 PolarHBondContact N-O 3.41Å; N350-E359 PolarHBondContact O-N 2.92Å; N352-E359 VanDerWaalsContact CB-CD 3.5Å; N352-E359 HydrophobicContact CB-CG 4.2Å; N352-E359 WeakPolarHBondContact CB-OE1 3.45Å; N352-E359 PolarHBondContact ND2-OE1 3.02Å; N352-E359 PolarHBondContact ND2-OE2 3.42Å; T355-E359 WeakPolarHBondContact CB-OE1 3.4Å; T355-E359 VanDerWaalsContact CG2-OE1 3.26Å; T355-E359 WeakPolarHBondContact CG2-OE1 3.44Å; T355-E359 PolarHBondContact OG1-OE1 3.25Å; E359-I361 PolarHBondContact O-N 2.88Å
360	D	91.5	Very high	86.1	Confident	54 Å²	54	87.6 Å²	87.6	29%	0.289	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	126.5	-175.5	-174.3	70.2	0	0	0	111.6	Y349 N362 N378 P380 G381	Y349-D360 HydrophobicContact CD1-CB 4.32Å; Y349-D360 HydrophobicContact CE1-CB 4.13Å; D360-N362 PolarHBondContact O-N 2.87Å; D360-N362 VanDerWaalsContact O-N 3.13Å; D360-N378 PolarHBondContact OD2-ND2 2.89Å; D360-P380 WeakPolarHBondContact OD1-CA 2.99Å; D360-G381 PolarHBondContact OD1-N 2.86Å
361	I	91	Very high	85.9	Confident	52 Å²	52	85.4 Å²	85.4	27%	0.267	43%	0.43	S	S	.	.			trans	-78.6	100.4	175.7	-59.1	170.4	0	0	0	107.2	G348 N350 E359 E363	G348-I361 VanDerWaalsContact O-CB 3.27Å; G348-I361 WeakPolarHBondContact O-CB 3.3Å; G348-I361 WeakPolarHBondContact O-CG1 3.36Å; G348-I361 PolarHBondContact O-N 3.01Å; N350-I361 HydrophobicContact CB-CD1 4.19Å; N350-I361 HydrophobicContact CB-CG1 3.9Å; E359-I361 PolarHBondContact O-N 2.88Å; I361-E363 HydrophobicContact CG2-CG 4.33Å; I361-E363 WeakPolarHBondContact O-CG 3.43Å; I361-E363 PolarHBondContact O-N 3.44Å
362	N	91.6	Very high	86	Confident	67 Å²	67	81.7 Å²	81.7	36%	0.358	42%	0.415	S	S	.	.			trans	-68.3	89.8	178.1	-171.4	-66.4	0	0	0	111.2	D360 C364 R365 H366 N378	D360-N362 PolarHBondContact O-N 2.87Å; D360-N362 VanDerWaalsContact O-N 3.13Å; N362-C364 VanDerWaalsContact C-N 3.28Å; N362-C364 PolarHBondContact O-N 3.29Å; N362-R365 HydrophobicContact CB-CB 4.28Å; N362-R365 PolarHBondContact O-N 3.46Å; N362-R365 VanDerWaalsContact O-N 3.11Å; N362-R365 WeakPolarHBondContact OD1-CB 3.32Å; N362-R365 PolarHBondContact OD1-N 3.34Å; N362-H366 PolarHBondContact O-N 3.1Å; N362-N378 WeakPolarHBondContact CA-OD1 3.06Å; N362-N378 VanDerWaalsContact CG-CG 3.48Å; N362-N378 VanDerWaalsContact CG-OD1 3.23Å; N362-N378 PolarHBondContact ND2-OD1 2.82Å; N362-N378 PolarHBondContact OD1-OD1 2.72Å
363	E	91.1	Very high	86	Confident	26 Å²	26	82 Å²	82	12%	0.121	43%	0.427	C	S	.	.	H	α-helix	trans	-71.5	-27.7	-169.7	-47.5	104.6	134.9	0	0	111.7	I361 R365 H366 Y367 L371 N378 S382 Y383	I361-E363 HydrophobicContact CG2-CG 4.33Å; I361-E363 WeakPolarHBondContact O-CG 3.43Å; I361-E363 PolarHBondContact O-N 3.44Å; E363-R365 PolarHBondContact O-N 3.21Å; E363-H366 PolarHBondContact O-N 3.47Å; E363-H366 VanDerWaalsContact O-N 3.16Å; E363-Y367 HydrophobicContact CB-CD2 4.21Å; E363-Y367 PolarHBondContact O-N 3.31Å; E363-L371 HydrophobicContact CB-CD2 3.36Å; E363-N378 PolarHBondContact N-OD1 3.47Å; E363-S382 WeakPolarHBondContact OE1-CA 3.45Å; E363-Y383 HydrophobicContact CB-CD1 4.16Å; E363-Y383 HydrophobicContact CG-CD1 4.38Å; E363-Y383 PolarHBondContact OE2-N 2.8Å
364	C	91.3	Very high	86.3	Confident	24 Å²	24	80.7 Å²	80.7	16%	0.162	41%	0.411	C	S	.	.	H	α-helix	trans	-58.4	-36.1	171.8	-61.5	0	0	0	0	112.3	N362 C376	N362-C364 VanDerWaalsContact C-N 3.28Å; N362-C364 PolarHBondContact O-N 3.29Å; C364-C376 WeakPolarHBondContact CA-SG 3.05Å; C364-C376 HydrophobicContact CB-CB 3.75Å; C364-C376 WeakPolarHBondContact CB-SG 3.07Å; C364-C376 WeakPolarHBondContact SG-CB 3.47Å; C364-C376 CovalentContact SG-SG 2.04Å; C364-C376 PolarHBondContact SG-SG 2.75Å
365	R	89.2	Confident	86.8	Confident	215 Å²	215	78.5 Å²	78.5	81%	0.811	40%	0.396	S	S	*	.	H	α-helix	trans	-84.7	-28.4	174	-176.7	174.6	178.4	169.3	0.6	112.8	N362 E363	N362-R365 HydrophobicContact CB-CB 4.28Å; N362-R365 PolarHBondContact O-N 3.46Å; N362-R365 VanDerWaalsContact O-N 3.11Å; N362-R365 WeakPolarHBondContact OD1-CB 3.32Å; N362-R365 PolarHBondContact OD1-N 3.34Å; E363-R365 PolarHBondContact O-N 3.21Å
366	H	86.4	Confident	87.3	Confident	121 Å²	121	77.3 Å²	77.3	56%	0.56	39%	0.389	S	S	*	.	H	α-helix	trans	-79.1	-31	-179.1	-153.2	49.5	0	0	0	112.9	N362 E363 P368	N362-H366 PolarHBondContact O-N 3.1Å; E363-H366 PolarHBondContact O-N 3.47Å; E363-H366 VanDerWaalsContact O-N 3.16Å; H366-P368 VanDerWaalsContact C-CD 3.44Å
367	Y	86.3	Confident	88	Confident	118 Å²	118	74.7 Å²	74.7	46%	0.463	38%	0.384	S	S	.	.	S	Bend	trans	-127.1	57.9	-179.9	-56.2	-62.1	0	0	0	112.5	E363 G369 R370 L371	E363-Y367 HydrophobicContact CB-CD2 4.21Å; E363-Y367 PolarHBondContact O-N 3.31Å; Y367-G369 PolarHBondContact O-N 2.91Å; Y367-R370 PolarHBondContact O-N 3.46Å; Y367-L371 HydrophobicContact CD2-CD1 3.86Å; Y367-L371 HydrophobicContact CD2-CD2 4.33Å; Y367-L371 HydrophobicContact CG-CD1 4.18Å
368	P	80.7	Confident	88.5	Confident	94 Å²	94	74.5 Å²	74.5	61%	0.61	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	131.4	-174.2	25.9	-35.2	0	0	0	111.5	H366 R370	H366-P368 VanDerWaalsContact C-CD 3.44Å; P368-R370 PolarHBondContact O-N 3.47Å
369	G	75	Confident	88.6	Confident	82 Å²	82	76.5 Å²	76.5	85%	0.845	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	10.2	178.2	0	0	0	0	0	116.1	Y367	Y367-G369 PolarHBondContact O-N 2.91Å
370	R	83.4	Confident	88.7	Confident	223 Å²	223	78.5 Å²	78.5	84%	0.842	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-14.2	179.1	-68.8	-171.3	175.5	-156.8	-1	115	Y367 P368	Y367-R370 PolarHBondContact O-N 3.46Å; P368-R370 PolarHBondContact O-N 3.47Å
371	L	85.7	Confident	88.5	Confident	25 Å²	25	77 Å²	77	13%	0.131	41%	0.411	C	S	.	.	S	Bend	trans	-102.1	-27.5	-164.7	-142.9	69.2	0	0	0	114.1	E363 Y367 Y383	E363-L371 HydrophobicContact CB-CD2 3.36Å; Y367-L371 HydrophobicContact CD2-CD1 3.86Å; Y367-L371 HydrophobicContact CD2-CD2 4.33Å; Y367-L371 HydrophobicContact CG-CD1 4.18Å; L371-Y383 HydrophobicContact CB-CE2 4.29Å; L371-Y383 HydrophobicContact CD1-CE1 4.42Å; L371-Y383 HydrophobicContact CD2-CD1 3.51Å; L371-Y383 HydrophobicContact CD2-CD2 3.81Å; L371-Y383 HydrophobicContact CD2-CE1 3.52Å; L371-Y383 HydrophobicContact CD2-CE2 3.79Å; L371-Y383 HydrophobicContact CD2-CG 3.68Å; L371-Y383 HydrophobicContact CG-CD1 4.28Å; L371-Y383 HydrophobicContact CG-CD2 4.15Å; L371-Y383 HydrophobicContact CG-CE1 3.82Å; L371-Y383 HydrophobicContact CG-CE2 3.64Å; L371-Y383 HydrophobicContact CG-CG 4.44Å; L371-Y383 VanDerWaalsContact CG-CZ 3.46Å; L371-Y383 WeakPolarHBondContact O-CE2 3.28Å
372	C	90.1	Very high	88.5	Confident	14 Å²	14	77.1 Å²	77.1	10%	0.095	42%	0.417	C	S	.	.	S	Bend	trans	-138.1	151.5	174.3	-60.8	0	0	0	0	108.3	K375 C376 C385	C372-K375 WeakPolarHBondContact CB-O 3.4Å; C372-C376 HydrophobicContact CB-CB 4.1Å; C372-C376 VanDerWaalsContact SG-SG 3.67Å; C372-C385 WeakPolarHBondContact CA-SG 3Å; C372-C385 HydrophobicContact CB-CB 3.62Å; C372-C385 WeakPolarHBondContact CB-SG 3.47Å; C372-C385 WeakPolarHBondContact SG-CA 3.39Å; C372-C385 WeakPolarHBondContact SG-CB 3.05Å; C372-C385 CovalentContact SG-SG 2.03Å; C372-C385 PolarHBondContact SG-SG 3.33Å
373	G	87.4	Confident	88.5	Confident	44 Å²	44	75.7 Å²	75.7	45%	0.454	41%	0.407	S	S	.	.	S	Bend	trans	-64	-55.3	177.6	0	0	0	0	0	112.7	R398	G373-R398 PolarHBondContact N-O 3.24Å
374	H	89.4	Confident	88.5	Confident	70 Å²	70	81.2 Å²	81.2	32%	0.324	43%	0.43	S	S	.	.	S	Bend	trans	-108.6	-72.3	-176.6	-65.1	-172.9	0	0	0	112.3	T388 F391	H374-T388 HydrophobicContact CB-CG2 4.43Å; H374-T388 PolarHBondContact ND1-OG1 3.03Å; H374-F391 AromaticContact CE1-CD1 3.61Å; H374-F391 AromaticContact CE1-CD2 3.48Å; H374-F391 VanDerWaalsContact CE1-CD2 3.48Å; H374-F391 WeakPolarHBondContact CE1-CD2 3.11Å; H374-F391 AromaticContact CE1-CE1 3.76Å; H374-F391 AromaticContact CE1-CE2 3.61Å; H374-F391 AromaticContact CE1-CG 3.48Å; H374-F391 VanDerWaalsContact CE1-CG 3.48Å; H374-F391 WeakPolarHBondContact CE1-CG 3.39Å; H374-F391 AromaticContact CE1-CZ 3.75Å; H374-F391 AromaticContact ND1-CD2 3.86Å; H374-F391 AromaticContact ND1-CG 3.98Å
375	K	91.4	Very high	88.6	Confident	104 Å²	104	80.3 Å²	80.3	45%	0.452	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.2	-176.3	-178.2	166.7	173.2	-82.8	0	111.9	C372 D377 C385 S386	C372-K375 WeakPolarHBondContact CB-O 3.4Å; K375-D377 IonicContact NZ-OD1 2.65Å; K375-D377 PolarHBondContact NZ-OD1 2.89Å; K375-D377 IonicContact NZ-OD2 2.85Å; K375-D377 PolarHBondContact NZ-OD2 3.45Å; K375-C385 WeakPolarHBondContact O-CA 3.03Å; K375-S386 WeakPolarHBondContact CA-O 3.39Å; K375-S386 WeakPolarHBondContact CB-O 3.49Å; K375-S386 WeakPolarHBondContact CB-OG 3.48Å; K375-S386 WeakPolarHBondContact CG-OG 3.4Å; K375-S386 PolarHBondContact N-O 3.11Å; K375-S386 PolarHBondContact O-N 2.92Å
376	C	93.6	Very high	88.8	Confident	39 Å²	39	71.7 Å²	71.7	26%	0.264	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.9	177.3	-170.1	0	0	0	0	108.6	C364 C372	C364-C376 WeakPolarHBondContact CA-SG 3.05Å; C364-C376 HydrophobicContact CB-CB 3.75Å; C364-C376 WeakPolarHBondContact CB-SG 3.07Å; C364-C376 WeakPolarHBondContact SG-CB 3.47Å; C364-C376 CovalentContact SG-SG 2.04Å; C364-C376 PolarHBondContact SG-SG 2.75Å; C372-C376 HydrophobicContact CB-CB 4.1Å; C372-C376 VanDerWaalsContact SG-SG 3.67Å
377	D	92.8	Very high	89.1	Confident	60 Å²	60	67.6 Å²	67.6	32%	0.321	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.3	176.3	-69.1	-74	0	0	0	108.9	K375 K384 S386	K375-D377 IonicContact NZ-OD1 2.65Å; K375-D377 PolarHBondContact NZ-OD1 2.89Å; K375-D377 IonicContact NZ-OD2 2.85Å; K375-D377 PolarHBondContact NZ-OD2 3.45Å; D377-K384 PolarHBondContact N-O 2.83Å; D377-K384 PolarHBondContact O-N 2.9Å; D377-S386 PolarHBondContact OD2-OG 3.36Å
378	N	93.1	Very high	89.4	Confident	50 Å²	50	65.5 Å²	65.5	27%	0.267	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	142	-176.5	-158.1	84.4	0	0	0	111.7	D360 N362 E363	D360-N378 PolarHBondContact OD2-ND2 2.89Å; N362-N378 WeakPolarHBondContact CA-OD1 3.06Å; N362-N378 VanDerWaalsContact CG-CG 3.48Å; N362-N378 VanDerWaalsContact CG-OD1 3.23Å; N362-N378 PolarHBondContact ND2-OD1 2.82Å; N362-N378 PolarHBondContact OD1-OD1 2.72Å; E363-N378 PolarHBondContact N-OD1 3.47Å
379	T	91.8	Very high	89.8	Confident	56 Å²	56	67.7 Å²	67.7	34%	0.344	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	162.6	178	53.8	0	0	0	0	110.9	G381 S382	T379-G381 PolarHBondContact O-N 2.83Å; T379-G381 VanDerWaalsContact O-N 3.08Å; T379-S382 CarbonylContact C-O 3.57Å; T379-S382 VanDerWaalsContact C-O 3.25Å; T379-S382 VanDerWaalsContact CA-O 3.3Å; T379-S382 WeakPolarHBondContact CA-O 3.19Å; T379-S382 WeakPolarHBondContact CB-O 3.12Å; T379-S382 PolarHBondContact N-O 2.04Å; T379-S382 PolarHBondContact O-N 2.81Å; T379-S382 VanDerWaalsContact OG1-C 3.29Å; T379-S382 PolarHBondContact OG1-O 2.88Å
380	P	89.1	Confident	90.5	Very high	110 Å²	110	64.2 Å²	64.2	71%	0.714	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	115.7	177.6	-24.8	35.9	0	0	0	111.8	Y349 D360 S382	Y349-P380 VanDerWaalsContact OH-CB 3.32Å; Y349-P380 WeakPolarHBondContact OH-CB 3.28Å; D360-P380 WeakPolarHBondContact OD1-CA 2.99Å; P380-S382 PolarHBondContact O-N 3.1Å
381	G	87.3	Confident	91	Very high	22 Å²	22	55 Å²	55	23%	0.227	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	7	177.1	0	0	0	0	0	116.3	Y349 D360 T379	Y349-G381 VanDerWaalsContact CE2-CA 3.42Å; Y349-G381 PolarHBondContact OH-N 3.35Å; D360-G381 PolarHBondContact OD1-N 2.86Å; T379-G381 PolarHBondContact O-N 2.83Å; T379-G381 VanDerWaalsContact O-N 3.08Å
382	S	90.9	Very high	91.3	Very high	55 Å²	55	59.2 Å²	59.2	39%	0.385	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	176.1	-179.9	-169.4	0	0	0	0	111.1	E363 T379 P380	E363-S382 WeakPolarHBondContact OE1-CA 3.45Å; T379-S382 CarbonylContact C-O 3.57Å; T379-S382 VanDerWaalsContact C-O 3.25Å; T379-S382 VanDerWaalsContact CA-O 3.3Å; T379-S382 WeakPolarHBondContact CA-O 3.19Å; T379-S382 WeakPolarHBondContact CB-O 3.12Å; T379-S382 PolarHBondContact N-O 2.04Å; T379-S382 PolarHBondContact O-N 2.81Å; T379-S382 VanDerWaalsContact OG1-C 3.29Å; T379-S382 PolarHBondContact OG1-O 2.88Å; P380-S382 PolarHBondContact O-N 3.1Å
383	Y	91.7	Very high	91.4	Very high	38 Å²	38	62.3 Å²	62.3	15%	0.149	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	163	170.6	67	-76	0	0	0	111.6	E363 L371 R398	E363-Y383 HydrophobicContact CB-CD1 4.16Å; E363-Y383 HydrophobicContact CG-CD1 4.38Å; E363-Y383 PolarHBondContact OE2-N 2.8Å; L371-Y383 HydrophobicContact CB-CE2 4.29Å; L371-Y383 HydrophobicContact CD1-CE1 4.42Å; L371-Y383 HydrophobicContact CD2-CD1 3.51Å; L371-Y383 HydrophobicContact CD2-CD2 3.81Å; L371-Y383 HydrophobicContact CD2-CE1 3.52Å; L371-Y383 HydrophobicContact CD2-CE2 3.79Å; L371-Y383 HydrophobicContact CD2-CG 3.68Å; L371-Y383 HydrophobicContact CG-CD1 4.28Å; L371-Y383 HydrophobicContact CG-CD2 4.15Å; L371-Y383 HydrophobicContact CG-CE1 3.82Å; L371-Y383 HydrophobicContact CG-CE2 3.64Å; L371-Y383 HydrophobicContact CG-CG 4.44Å; L371-Y383 VanDerWaalsContact CG-CZ 3.46Å; L371-Y383 WeakPolarHBondContact O-CE2 3.28Å; Y383-R398 PolarHBondContact OH-NE 3.3Å; Y383-R398 PolarHBondContact OH-NH2 2.96Å
384	K	92.3	Very high	91.6	Very high	141 Å²	141	60.8 Å²	60.8	61%	0.613	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.6	173.1	-178.4	176.3	178.6	-178.3	0	110.5	D377	D377-K384 PolarHBondContact N-O 2.83Å; D377-K384 PolarHBondContact O-N 2.9Å
385	C	93.4	Very high	91.6	Very high	6 Å²	6	70 Å²	70	4%	0.041	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	146.2	171.6	-56.1	0	0	0	0	111.9	C372 K375 L393 G397	C372-C385 WeakPolarHBondContact CA-SG 3Å; C372-C385 HydrophobicContact CB-CB 3.62Å; C372-C385 WeakPolarHBondContact CB-SG 3.47Å; C372-C385 WeakPolarHBondContact SG-CA 3.39Å; C372-C385 WeakPolarHBondContact SG-CB 3.05Å; C372-C385 CovalentContact SG-SG 2.03Å; C372-C385 PolarHBondContact SG-SG 3.33Å; K375-C385 WeakPolarHBondContact O-CA 3.03Å; C385-L393 HydrophobicContact CB-CD1 3.91Å; C385-G397 WeakPolarHBondContact CB-O 3.38Å
386	S	92.8	Very high	91.4	Very high	33 Å²	33	69.2 Å²	69.2	23%	0.231	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.3	170.4	54.4	0	0	0	0	110.5	K375 D377	K375-S386 WeakPolarHBondContact CA-O 3.39Å; K375-S386 WeakPolarHBondContact CB-O 3.49Å; K375-S386 WeakPolarHBondContact CB-OG 3.48Å; K375-S386 WeakPolarHBondContact CG-OG 3.4Å; K375-S386 PolarHBondContact N-O 3.11Å; K375-S386 PolarHBondContact O-N 2.92Å; D377-S386 PolarHBondContact OD2-OG 3.36Å
387	C	93.4	Very high	91.1	Very high	35 Å²	35	68.9 Å²	68.9	24%	0.236	38%	0.377	C	S	.	.			trans	-105.2	154.9	179.5	-60.9	0	0	0	0	110.8	F391 C400	C387-F391 HydrophobicContact CB-CB 3.93Å; C387-C400 WeakPolarHBondContact CA-SG 3.47Å; C387-C400 HydrophobicContact CB-CB 3.9Å; C387-C400 WeakPolarHBondContact CB-SG 3.49Å; C387-C400 WeakPolarHBondContact SG-CA 3.46Å; C387-C400 WeakPolarHBondContact SG-CB 3.45Å; C387-C400 CovalentContact SG-SG 2.04Å; C387-C400 PolarHBondContact SG-SG 3.16Å
388	T	91.7	Very high	90.9	Very high	75 Å²	75	71.9 Å²	71.9	46%	0.46	38%	0.383	S	S	.	.			trans	-75.9	165.5	172.1	47.8	0	0	0	0	110.9	H374 F391	H374-T388 HydrophobicContact CB-CG2 4.43Å; H374-T388 PolarHBondContact ND1-OG1 3.03Å; T388-F391 PolarHBondContact O-N 2.96Å; T388-F391 VanDerWaalsContact OG1-CD2 3.3Å; T388-F391 WeakPolarHBondContact OG1-CD2 3.22Å
389	T	90.6	Very high	90.8	Very high	139 Å²	139	73.7 Å²	73.7	85%	0.853	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	144	167	-35.2	0	0	0	0	110.7	F391	T389-F391 VanDerWaalsContact C-N 3.33Å; T389-F391 WeakPolarHBondContact O-CD2 3.41Å
390	G	89.4	Confident	90.9	Very high	9 Å²	9	71.7 Å²	71.7	9%	0.093	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-4.1	-171.4	0	0	0	0	0	114.8	V403	G390-V403 WeakPolarHBondContact O-CB 3.5Å; G390-V403 PolarHBondContact O-N 3.47Å
391	F	93.2	Very high	91	Very high	29 Å²	29	70.2 Å²	70.2	13%	0.127	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	148.2	-175.4	-59.1	-91.1	0	0	0	113.4	H374 C387 T388 T389 C400 D401 D402 Y419	H374-F391 AromaticContact CE1-CD1 3.61Å; H374-F391 AromaticContact CE1-CD2 3.48Å; H374-F391 VanDerWaalsContact CE1-CD2 3.48Å; H374-F391 WeakPolarHBondContact CE1-CD2 3.11Å; H374-F391 AromaticContact CE1-CE1 3.76Å; H374-F391 AromaticContact CE1-CE2 3.61Å; H374-F391 AromaticContact CE1-CG 3.48Å; H374-F391 VanDerWaalsContact CE1-CG 3.48Å; H374-F391 WeakPolarHBondContact CE1-CG 3.39Å; H374-F391 AromaticContact CE1-CZ 3.75Å; H374-F391 AromaticContact ND1-CD2 3.86Å; H374-F391 AromaticContact ND1-CG 3.98Å; C387-F391 HydrophobicContact CB-CB 3.93Å; T388-F391 PolarHBondContact O-N 2.96Å; T388-F391 VanDerWaalsContact OG1-CD2 3.3Å; T388-F391 WeakPolarHBondContact OG1-CD2 3.22Å; T389-F391 VanDerWaalsContact C-N 3.33Å; T389-F391 WeakPolarHBondContact O-CD2 3.41Å; F391-C400 HydrophobicContact CB-CB 4.04Å; F391-C400 HydrophobicContact CD1-CB 4.4Å; F391-C400 HydrophobicContact CG-CB 4.43Å; F391-D401 CarbonylContact C-O 3.55Å; F391-D401 WeakPolarHBondContact CA-O 3.44Å; F391-D402 HydrophobicContact CD1-CB 4.41Å; F391-D402 HydrophobicContact CE1-CB 4.26Å; F391-Y419 HydrophobicContact CE1-CD1 4.11Å; F391-Y419 HydrophobicContact CE1-CD2 4.17Å; F391-Y419 AromaticContact CE1-CE1 3.65Å; F391-Y419 HydrophobicContact CE1-CE1 3.65Å; F391-Y419 AromaticContact CE1-CE2 3.74Å; F391-Y419 HydrophobicContact CE1-CE2 3.74Å; F391-Y419 HydrophobicContact CE1-CG 4.34Å; F391-Y419 AromaticContact CE1-CZ 3.44Å; F391-Y419 VanDerWaalsContact CE1-CZ 3.44Å; F391-Y419 AromaticContact CZ-CD1 3.67Å; F391-Y419 HydrophobicContact CZ-CD1 3.67Å; F391-Y419 HydrophobicContact CZ-CD2 4.5Å; F391-Y419 AromaticContact CZ-CE1 3.41Å; F391-Y419 HydrophobicContact CZ-CE1 3.41Å; F391-Y419 VanDerWaalsContact CZ-CE1 3.41Å; F391-Y419 HydrophobicContact CZ-CE2 4.31Å; F391-Y419 HydrophobicContact CZ-CG 4.21Å; F391-Y419 AromaticContact CZ-CZ 3.76Å
392	Q	92.6	Very high	91.4	Very high	114 Å²	114	71.5 Å²	71.5	53%	0.533	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	150.6	173.2	63	179.9	-7.7	0	0	111	A394 C400 D401 V403	Q392-A394 PolarHBondContact O-N 3.36Å; Q392-C400 CarbonylContact O-C 3.45Å; Q392-C400 WeakPolarHBondContact O-CA 3.36Å; Q392-D401 HydrophobicContact CG-CB 4.12Å; Q392-D401 PolarHBondContact N-O 3.2Å; Q392-D401 PolarHBondContact O-N 3.03Å; Q392-V403 HydrophobicContact CB-CG2 3.84Å; Q392-V403 HydrophobicContact CG-CG2 3.9Å
393	L	92.6	Very high	91.5	Very high	80 Å²	80	71.2 Å²	71.2	42%	0.419	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	123.7	178.1	-167.5	72.5	0	0	0	110	C385	C385-L393 HydrophobicContact CB-CD1 3.91Å
394	A	91.2	Very high	91.5	Very high	12 Å²	12	72.4 Å²	72.4	10%	0.099	37%	0.374	C	S	.	.			trans	-65.6	166.1	-179.4	0	0	0	0	0	112.1	Q392 D396 G397 N399 D401	Q392-A394 PolarHBondContact O-N 3.36Å; A394-D396 PolarHBondContact O-N 3.19Å; A394-G397 PolarHBondContact O-N 3.08Å; A394-N399 HydrophobicContact CB-CB 3.84Å; A394-N399 WeakPolarHBondContact CB-O 3.37Å; A394-N399 PolarHBondContact N-O 3.34Å; A394-D401 WeakPolarHBondContact CA-OD2 3.5Å; A394-D401 VanDerWaalsContact CB-OD2 3.26Å; A394-D401 WeakPolarHBondContact CB-OD2 3.37Å
395	R	88.7	Confident	91.6	Very high	262 Å²	262	67.8 Å²	67.8	99%	0.989	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.2	-176.8	-65.5	-172.1	-179.8	-148	0.7	115	G397	R395-G397 VanDerWaalsContact C-N 3.3Å
396	D	87.3	Confident	91.6	Very high	88 Å²	88	68.4 Å²	68.4	47%	0.471	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-8	173.6	62	13.1	0	0	0	113.4	A394 R398 N399	A394-D396 PolarHBondContact O-N 3.19Å; D396-R398 PolarHBondContact O-N 3.45Å; D396-R398 PolarHBondContact OD1-N 3.44Å; D396-N399 PolarHBondContact OD1-N 3.44Å; D396-N399 WeakPolarHBondContact OD2-CB 3.41Å
397	G	87.9	Confident	91.5	Very high	33 Å²	33	74 Å²	74	34%	0.34	38%	0.381	S	S	.	.	S	Bend	trans	70.8	13.5	-176.7	0	0	0	0	0	114.3	C385 A394 R395	C385-G397 WeakPolarHBondContact CB-O 3.38Å; A394-G397 PolarHBondContact O-N 3.08Å; R395-G397 VanDerWaalsContact C-N 3.3Å
398	R	88.9	Confident	91.4	Very high	122 Å²	122	76.6 Å²	76.6	46%	0.46	40%	0.4	S	S	.	.	S	Bend	trans	-130.8	-45.9	-172.9	-64.3	-179.3	-177.8	-160.6	-4.8	113.6	G373 Y383 D396	G373-R398 PolarHBondContact N-O 3.24Å; Y383-R398 PolarHBondContact OH-NE 3.3Å; Y383-R398 PolarHBondContact OH-NH2 2.96Å; D396-R398 PolarHBondContact O-N 3.45Å; D396-R398 PolarHBondContact OD1-N 3.44Å
399	N	90.1	Very high	91.2	Very high	88 Å²	88	79.3 Å²	79.3	47%	0.471	41%	0.412	S	S	.	.			trans	-83	161.4	-178.3	-74.8	13.5	0	0	0	111.1	A394 D396	A394-N399 HydrophobicContact CB-CB 3.84Å; A394-N399 WeakPolarHBondContact CB-O 3.37Å; A394-N399 PolarHBondContact N-O 3.34Å; D396-N399 PolarHBondContact OD1-N 3.44Å; D396-N399 WeakPolarHBondContact OD2-CB 3.41Å
400	C	93.1	Very high	91.1	Very high	14 Å²	14	74.4 Å²	74.4	10%	0.095	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	111.2	178.2	-67.9	0	0	0	0	108.4	C387 F391 Q392	C387-C400 WeakPolarHBondContact CA-SG 3.47Å; C387-C400 HydrophobicContact CB-CB 3.9Å; C387-C400 WeakPolarHBondContact CB-SG 3.49Å; C387-C400 WeakPolarHBondContact SG-CA 3.46Å; C387-C400 WeakPolarHBondContact SG-CB 3.45Å; C387-C400 CovalentContact SG-SG 2.04Å; C387-C400 PolarHBondContact SG-SG 3.16Å; F391-C400 HydrophobicContact CB-CB 4.04Å; F391-C400 HydrophobicContact CD1-CB 4.4Å; F391-C400 HydrophobicContact CG-CB 4.43Å; Q392-C400 CarbonylContact O-C 3.45Å; Q392-C400 WeakPolarHBondContact O-CA 3.36Å
401	D	92.8	Very high	91.3	Very high	79 Å²	79	74.7 Å²	74.7	42%	0.422	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	138.7	176.1	-65.7	-33.8	0	0	0	109.1	F391 Q392 A394	F391-D401 CarbonylContact C-O 3.55Å; F391-D401 WeakPolarHBondContact CA-O 3.44Å; Q392-D401 HydrophobicContact CG-CB 4.12Å; Q392-D401 PolarHBondContact N-O 3.2Å; Q392-D401 PolarHBondContact O-N 3.03Å; A394-D401 WeakPolarHBondContact CA-OD2 3.5Å; A394-D401 VanDerWaalsContact CB-OD2 3.26Å; A394-D401 WeakPolarHBondContact CB-OD2 3.37Å
402	D	93.9	Very high	91.2	Very high	50 Å²	50	76.5 Å²	76.5	27%	0.267	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	134.5	178.1	-168.5	60.2	0	0	0	111.3	F391 N417 Y419 G420	F391-D402 HydrophobicContact CD1-CB 4.41Å; F391-D402 HydrophobicContact CE1-CB 4.26Å; D402-N417 PolarHBondContact OD2-ND2 2.84Å; D402-Y419 WeakPolarHBondContact OD1-CA 3.42Å; D402-G420 PolarHBondContact OD1-N 3.33Å
403	V	94	Very high	91.1	Very high	49 Å²	49	73.3 Å²	73.3	30%	0.297	38%	0.384	S	S	.	.			trans	-96.1	110.2	-180	176.7	0	0	0	0	109.6	G390 Q392 E405	G390-V403 WeakPolarHBondContact O-CB 3.5Å; G390-V403 PolarHBondContact O-N 3.47Å; Q392-V403 HydrophobicContact CB-CG2 3.84Å; Q392-V403 HydrophobicContact CG-CG2 3.9Å; V403-E405 VanDerWaalsContact C-N 3.34Å; V403-E405 HydrophobicContact CG1-CG 4.36Å; V403-E405 PolarHBondContact O-N 3.37Å
404	N	92.6	Very high	91.1	Very high	62 Å²	62	73.8 Å²	73.8	33%	0.332	38%	0.384	S	S	.	.			trans	-71	81.8	179.6	-176.2	13.9	0	0	0	112.3	C406 E407 N417	N404-C406 PolarHBondContact O-N 3.09Å; N404-C406 VanDerWaalsContact O-N 3.16Å; N404-E407 HydrophobicContact CB-CG 4.2Å; N404-E407 VanDerWaalsContact ND2-CG 3.29Å; N404-E407 WeakPolarHBondContact ND2-CG 3.38Å; N404-E407 PolarHBondContact ND2-OE1 2.76Å; N404-E407 PolarHBondContact O-N 3.37Å; N404-E407 VanDerWaalsContact O-N 3.15Å; N404-N417 WeakPolarHBondContact CA-OD1 3.45Å; N404-N417 WeakPolarHBondContact OD1-CB 3.15Å
405	E	93.3	Very high	91.3	Very high	44 Å²	44	75.4 Å²	75.4	21%	0.206	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-63.8	-23.2	-176.3	-63.6	117.9	165.1	0	0	112.7	V403 E407 S408 P410 S421 Y422	V403-E405 VanDerWaalsContact C-N 3.34Å; V403-E405 HydrophobicContact CG1-CG 4.36Å; V403-E405 PolarHBondContact O-N 3.37Å; E405-E407 PolarHBondContact O-N 3.41Å; E405-E407 VanDerWaalsContact O-N 3.14Å; E405-S408 WeakPolarHBondContact O-CB 3.39Å; E405-S408 PolarHBondContact O-N 3.41Å; E405-S408 PolarHBondContact O-OG 2.93Å; E405-P410 WeakPolarHBondContact O-CD 3.47Å; E405-S421 VanDerWaalsContact OE2-C 3.31Å; E405-S421 WeakPolarHBondContact OE2-CA 3.49Å; E405-Y422 HydrophobicContact CB-CD1 3.46Å; E405-Y422 VanDerWaalsContact CB-CD1 3.46Å; E405-Y422 HydrophobicContact CB-CE1 4.07Å; E405-Y422 HydrophobicContact CB-CG 4.07Å; E405-Y422 HydrophobicContact CG-CD1 3.99Å; E405-Y422 HydrophobicContact CG-CE1 4.47Å; E405-Y422 WeakPolarHBondContact OE2-CD1 3.49Å; E405-Y422 PolarHBondContact OE2-N 3.07Å
406	C	93.3	Very high	91.5	Very high	19 Å²	19	64.4 Å²	64.4	13%	0.128	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-60.4	-19.8	175.5	-67.9	0	0	0	0	113.9	N404 S408 N409 C415 N417	N404-C406 PolarHBondContact O-N 3.09Å; N404-C406 VanDerWaalsContact O-N 3.16Å; C406-S408 PolarHBondContact O-N 3.29Å; C406-N409 PolarHBondContact O-N 3.39Å; C406-C415 WeakPolarHBondContact CA-SG 3.04Å; C406-C415 HydrophobicContact CB-CB 3.82Å; C406-C415 WeakPolarHBondContact CB-SG 3.02Å; C406-C415 WeakPolarHBondContact SG-CB 3.35Å; C406-C415 CovalentContact SG-SG 2.04Å; C406-C415 PolarHBondContact SG-SG 2.04Å; C406-N417 PolarHBondContact SG-N 2.92Å
407	E	92.2	Very high	91.8	Very high	150 Å²	150	63 Å²	63	70%	0.701	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-62.2	-25.9	173.1	-63.9	-175.4	-170.6	0	0	112.4	N404 E405 N409	N404-E407 HydrophobicContact CB-CG 4.2Å; N404-E407 VanDerWaalsContact ND2-CG 3.29Å; N404-E407 WeakPolarHBondContact ND2-CG 3.38Å; N404-E407 PolarHBondContact ND2-OE1 2.76Å; N404-E407 PolarHBondContact O-N 3.37Å; N404-E407 VanDerWaalsContact O-N 3.15Å; E405-E407 PolarHBondContact O-N 3.41Å; E405-E407 VanDerWaalsContact O-N 3.14Å; E407-N409 VanDerWaalsContact C-N 3.29Å; E407-N409 PolarHBondContact O-N 3.34Å; E407-N409 PolarHBondContact O-ND2 3.01Å
408	S	89.4	Confident	92	Very high	91 Å²	91	64.3 Å²	64.3	64%	0.636	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-79.3	-8.3	174.4	71.1	0	0	0	0	114.2	E405 C406 P410	E405-S408 WeakPolarHBondContact O-CB 3.39Å; E405-S408 PolarHBondContact O-N 3.41Å; E405-S408 PolarHBondContact O-OG 2.93Å; C406-S408 PolarHBondContact O-N 3.29Å; S408-P410 WeakPolarHBondContact OG-CD 3.36Å
409	N	88.6	Confident	92.2	Very high	132 Å²	132	66.4 Å²	66.4	71%	0.706	36%	0.362	S	S	*	.			trans	52	58	-172.5	-59.9	-99.4	0	0	0	113.2	C406 E407	C406-N409 PolarHBondContact O-N 3.39Å; E407-N409 VanDerWaalsContact C-N 3.29Å; E407-N409 PolarHBondContact O-N 3.34Å; E407-N409 PolarHBondContact O-ND2 3.01Å
410	P	89.1	Confident	92.2	Very high	35 Å²	35	63.2 Å²	63.2	23%	0.227	35%	0.349	C	S	.	.			trans	-74.1	-28	-177.1	31.6	-34.6	0	0	0	112.8	E405 S408 Y422 M438	E405-P410 WeakPolarHBondContact O-CD 3.47Å; S408-P410 WeakPolarHBondContact OG-CD 3.36Å; P410-Y422 HydrophobicContact CB-CD2 4.47Å; P410-Y422 HydrophobicContact CB-CE2 3.75Å; P410-Y422 HydrophobicContact CG-CD2 3.63Å; P410-Y422 HydrophobicContact CG-CE1 4.39Å; P410-Y422 HydrophobicContact CG-CE2 3.39Å; P410-Y422 HydrophobicContact CG-CG 4.22Å; P410-M438 HydrophobicContact CB-SD 4.38Å
411	C	91.8	Very high	92.1	Very high	16 Å²	16	65.4 Å²	65.4	11%	0.108	37%	0.365	C	S	.	.	S	Bend	trans	-81.3	141	179.9	-54.2	0	0	0	0	111.9	Q413 C415 C424	C411-Q413 VanDerWaalsContact C-N 3.27Å; C411-Q413 PolarHBondContact O-N 3.29Å; C411-C415 HydrophobicContact CB-CB 3.96Å; C411-C415 VanDerWaalsContact SG-CB 3.52Å; C411-C415 PolarHBondContact SG-SG 2.69Å; C411-C424 VanDerWaalsContact CA-SG 3.51Å; C411-C424 HydrophobicContact CB-CB 3.66Å; C411-C424 WeakPolarHBondContact CB-SG 3.06Å; C411-C424 WeakPolarHBondContact SG-CA 3.45Å; C411-C424 WeakPolarHBondContact SG-CB 3.39Å; C411-C424 CovalentContact SG-SG 2.03Å; C411-C424 PolarHBondContact SG-SG 3.24Å
412	S	92.1	Very high	92.1	Very high	66 Å²	66	64.8 Å²	64.8	46%	0.462	36%	0.357	S	S	.	.	S	Bend	trans	-68.5	-18.5	176.5	59.3	0	0	0	0	115.3	M438 T439 C440	S412-M438 WeakPolarHBondContact CB-O 3.46Å; S412-M438 PolarHBondContact N-O 3.23Å; S412-M438 PolarHBondContact OG-O 3.23Å; S412-T439 WeakPolarHBondContact OG-CA 3.08Å; S412-C440 PolarHBondContact OG-N 3.46Å
413	Q	91.2	Very high	92	Very high	48 Å²	48	67 Å²	67	22%	0.224	37%	0.366	C	S	.	.	S	Bend	trans	-132.6	-91.6	179.2	-63.8	-169.6	14.3	0	0	112.1	C411 Y430 C440	C411-Q413 VanDerWaalsContact C-N 3.27Å; C411-Q413 PolarHBondContact O-N 3.29Å; Q413-Y430 VanDerWaalsContact NE2-CG 3.32Å; Q413-C440 HydrophobicContact CG-CB 3.81Å; Q413-C440 VanDerWaalsContact NE2-CB 3.32Å
414	E	92.1	Very high	92	Very high	90 Å²	90	65.1 Å²	65.1	42%	0.421	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.5	-177.3	-75.6	161.7	-148.9	0	0	110.1	C424 Y425 R427	E414-C424 WeakPolarHBondContact O-CA 3.39Å; E414-Y425 PolarHBondContact N-O 2.88Å; E414-Y425 VanDerWaalsContact N-O 3.09Å; E414-Y425 PolarHBondContact O-N 2.84Å; E414-R427 WeakPolarHBondContact OE1-CG 3.41Å; E414-R427 IonicContact OE1-CZ 3.35Å; E414-R427 IonicContact OE1-NE 2.86Å; E414-R427 PolarHBondContact OE1-NE 3.48Å; E414-R427 IonicContact OE1-NH2 3.85Å; E414-R427 PolarHBondContact OE1-NH2 3.38Å
415	C	94.8	Very high	92	Very high	45 Å²	45	67.5 Å²	67.5	30%	0.304	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.1	-178.4	-168.7	0	0	0	0	108.7	C406 C411	C406-C415 WeakPolarHBondContact CA-SG 3.04Å; C406-C415 HydrophobicContact CB-CB 3.82Å; C406-C415 WeakPolarHBondContact CB-SG 3.02Å; C406-C415 WeakPolarHBondContact SG-CB 3.35Å; C406-C415 CovalentContact SG-SG 2.04Å; C406-C415 PolarHBondContact SG-SG 2.04Å; C411-C415 HydrophobicContact CB-CB 3.96Å; C411-C415 VanDerWaalsContact SG-CB 3.52Å; C411-C415 PolarHBondContact SG-SG 2.69Å
416	A	93.7	Very high	92.1	Very high	31 Å²	31	67.1 Å²	67.1	26%	0.256	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.5	169.7	0	0	0	0	0	109.2	Y422 Q423 Y425	A416-Y422 CarbonylContact O-C 3.4Å; A416-Y422 WeakPolarHBondContact O-CA 3.31Å; A416-Q423 PolarHBondContact N-O 2.9Å; A416-Q423 PolarHBondContact O-N 2.77Å; A416-Y425 HydrophobicContact CB-CD2 4.1Å; A416-Y425 HydrophobicContact CB-CE2 3.54Å
417	N	93.1	Very high	92	Very high	59 Å²	59	72.9 Å²	72.9	32%	0.316	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131.6	171.3	-167.6	59.1	0	0	0	109.6	D402 N404 C406	D402-N417 PolarHBondContact OD2-ND2 2.84Å; N404-N417 WeakPolarHBondContact CA-OD1 3.45Å; N404-N417 WeakPolarHBondContact OD1-CB 3.15Å; C406-N417 PolarHBondContact SG-N 2.92Å
418	V	92.4	Very high	92	Very high	61 Å²	61	77.2 Å²	77.2	37%	0.37	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	155.6	177.9	-169.1	0	0	0	0	107.6	G420 S421 Q423	V418-G420 PolarHBondContact O-N 2.04Å; V418-S421 CarbonylContact C-O 3.24Å; V418-S421 VanDerWaalsContact C-O 3.29Å; V418-S421 VanDerWaalsContact CA-O 3.25Å; V418-S421 WeakPolarHBondContact CA-O 3.43Å; V418-S421 WeakPolarHBondContact CB-O 3.39Å; V418-S421 PolarHBondContact N-O 3.01Å; V418-S421 CarbonylContact O-C 3.52Å; V418-S421 PolarHBondContact O-N 3.38Å; V418-Q423 HydrophobicContact CG2-CB 4.35Å; V418-Q423 HydrophobicContact CG2-CG 4Å
419	Y	91.9	Very high	92	Very high	166 Å²	166	73.6 Å²	73.6	65%	0.651	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	106	-175.4	-170.6	-94.6	0	0	0	111.7	F391 D402	F391-Y419 HydrophobicContact CE1-CD1 4.11Å; F391-Y419 HydrophobicContact CE1-CD2 4.17Å; F391-Y419 AromaticContact CE1-CE1 3.65Å; F391-Y419 HydrophobicContact CE1-CE1 3.65Å; F391-Y419 AromaticContact CE1-CE2 3.74Å; F391-Y419 HydrophobicContact CE1-CE2 3.74Å; F391-Y419 HydrophobicContact CE1-CG 4.34Å; F391-Y419 AromaticContact CE1-CZ 3.44Å; F391-Y419 VanDerWaalsContact CE1-CZ 3.44Å; F391-Y419 AromaticContact CZ-CD1 3.67Å; F391-Y419 HydrophobicContact CZ-CD1 3.67Å; F391-Y419 HydrophobicContact CZ-CD2 4.5Å; F391-Y419 AromaticContact CZ-CE1 3.41Å; F391-Y419 HydrophobicContact CZ-CE1 3.41Å; F391-Y419 VanDerWaalsContact CZ-CE1 3.41Å; F391-Y419 HydrophobicContact CZ-CE2 4.31Å; F391-Y419 HydrophobicContact CZ-CG 4.21Å; F391-Y419 AromaticContact CZ-CZ 3.76Å; D402-Y419 WeakPolarHBondContact OD1-CA 3.42Å
420	G	91	Very high	92.2	Very high	20 Å²	20	70.3 Å²	70.3	21%	0.206	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	7.5	-179.2	0	0	0	0	0	117	D402 V418	D402-G420 PolarHBondContact OD1-N 3.33Å; V418-G420 PolarHBondContact O-N 2.04Å
421	S	92.1	Very high	92.3	Very high	61 Å²	61	73.2 Å²	73.2	43%	0.427	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	147.8	174	-177	0	0	0	0	111.2	E405 V418	E405-S421 VanDerWaalsContact OE2-C 3.31Å; E405-S421 WeakPolarHBondContact OE2-CA 3.49Å; V418-S421 CarbonylContact C-O 3.24Å; V418-S421 VanDerWaalsContact C-O 3.29Å; V418-S421 VanDerWaalsContact CA-O 3.25Å; V418-S421 WeakPolarHBondContact CA-O 3.43Å; V418-S421 WeakPolarHBondContact CB-O 3.39Å; V418-S421 PolarHBondContact N-O 3.01Å; V418-S421 CarbonylContact O-C 3.52Å; V418-S421 PolarHBondContact O-N 3.38Å
422	Y	92.4	Very high	92.3	Very high	66 Å²	66	75.2 Å²	75.2	26%	0.259	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	162	163.7	68.6	-73.3	0	0	0	114	E405 P410 A416 M438	E405-Y422 HydrophobicContact CB-CD1 3.46Å; E405-Y422 VanDerWaalsContact CB-CD1 3.46Å; E405-Y422 HydrophobicContact CB-CE1 4.07Å; E405-Y422 HydrophobicContact CB-CG 4.07Å; E405-Y422 HydrophobicContact CG-CD1 3.99Å; E405-Y422 HydrophobicContact CG-CE1 4.47Å; E405-Y422 WeakPolarHBondContact OE2-CD1 3.49Å; E405-Y422 PolarHBondContact OE2-N 3.07Å; P410-Y422 HydrophobicContact CB-CD2 4.47Å; P410-Y422 HydrophobicContact CB-CE2 3.75Å; P410-Y422 HydrophobicContact CG-CD2 3.63Å; P410-Y422 HydrophobicContact CG-CE1 4.39Å; P410-Y422 HydrophobicContact CG-CE2 3.39Å; P410-Y422 HydrophobicContact CG-CG 4.22Å; A416-Y422 CarbonylContact O-C 3.4Å; A416-Y422 WeakPolarHBondContact O-CA 3.31Å; Y422-M438 HydrophobicContact CE2-CG 4.26Å; Y422-M438 PolarHBondContact OH-SD 3.16Å
423	Q	91.9	Very high	92.2	Very high	95 Å²	95	73.2 Å²	73.2	44%	0.444	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.6	165.6	-69	-172.1	6.3	0	0	110.6	A416 V418 Y425	A416-Q423 PolarHBondContact N-O 2.9Å; A416-Q423 PolarHBondContact O-N 2.77Å; V418-Q423 HydrophobicContact CG2-CB 4.35Å; V418-Q423 HydrophobicContact CG2-CG 4Å; Q423-Y425 HydrophobicContact CB-CE1 4.24Å; Q423-Y425 PolarHBondContact OE1-OH 2.03Å
424	C	94.2	Very high	92	Very high	10 Å²	10	78.7 Å²	78.7	7%	0.068	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	135.1	174.9	-59.8	0	0	0	0	111.3	C411 E414 L432 A437	C411-C424 VanDerWaalsContact CA-SG 3.51Å; C411-C424 HydrophobicContact CB-CB 3.66Å; C411-C424 WeakPolarHBondContact CB-SG 3.06Å; C411-C424 WeakPolarHBondContact SG-CA 3.45Å; C411-C424 WeakPolarHBondContact SG-CB 3.39Å; C411-C424 CovalentContact SG-SG 2.03Å; C411-C424 PolarHBondContact SG-SG 3.24Å; E414-C424 WeakPolarHBondContact O-CA 3.39Å; C424-L432 HydrophobicContact CB-CD1 3.97Å; C424-A437 WeakPolarHBondContact CB-O 3.05Å
425	Y	92.4	Very high	91.7	Very high	113 Å²	113	81.4 Å²	81.4	44%	0.443	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.1	175.2	-59.5	-49	0	0	0	111.1	E414 A416 Q423	E414-Y425 PolarHBondContact N-O 2.88Å; E414-Y425 VanDerWaalsContact N-O 3.09Å; E414-Y425 PolarHBondContact O-N 2.84Å; A416-Y425 HydrophobicContact CB-CD2 4.1Å; A416-Y425 HydrophobicContact CB-CE2 3.54Å; Q423-Y425 HydrophobicContact CB-CE1 4.24Å; Q423-Y425 PolarHBondContact OE1-OH 2.03Å
426	C	93.9	Very high	91.3	Very high	35 Å²	35	83.7 Å²	83.7	24%	0.236	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-102.8	144.6	177.8	-55.5	0	0	0	0	110.3	L432 C440	C426-L432 VanDerWaalsContact SG-CD1 3.57Å; C426-C440 WeakPolarHBondContact CA-SG 3.23Å; C426-C440 HydrophobicContact CB-CB 3.76Å; C426-C440 WeakPolarHBondContact CB-SG 3.07Å; C426-C440 VanDerWaalsContact SG-CA 3.54Å; C426-C440 WeakPolarHBondContact SG-CB 3.31Å; C426-C440 CovalentContact SG-SG 2.04Å; C426-C440 PolarHBondContact SG-SG 3.23Å
427	R	92.3	Very high	90.9	Very high	140 Å²	140	84.9 Å²	84.9	53%	0.528	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-67.3	162.5	174.2	-68.1	172.6	178.6	154.8	9.6	110.6	E414 G429 Y430	E414-R427 WeakPolarHBondContact OE1-CG 3.41Å; E414-R427 IonicContact OE1-CZ 3.35Å; E414-R427 IonicContact OE1-NE 2.86Å; E414-R427 PolarHBondContact OE1-NE 3.48Å; E414-R427 IonicContact OE1-NH2 3.85Å; E414-R427 PolarHBondContact OE1-NH2 3.38Å; R427-G429 PolarHBondContact O-N 2.73Å; R427-Y430 HydrophobicContact CB-CD2 4.2Å; R427-Y430 WeakPolarHBondContact O-CB 3.45Å; R427-Y430 PolarHBondContact O-N 2.9Å
428	R	90.9	Very high	90.7	Very high	242 Å²	242	85 Å²	85	91%	0.913	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	138.4	172.4	-67.9	-179.3	176.2	142.1	1.3	110.1	Y430	R428-Y430 VanDerWaalsContact C-N 3.34Å
429	G	89.1	Confident	90.7	Very high	15 Å²	15	84.7 Å²	84.7	16%	0.155	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-5.8	-171.4	0	0	0	0	0	114.6	R427 I443	R427-G429 PolarHBondContact O-N 2.73Å; G429-I443 WeakPolarHBondContact O-CB 3.38Å; G429-I443 PolarHBondContact O-N 3.07Å
430	Y	93.1	Very high	90.7	Very high	62 Å²	62	77.8 Å²	77.8	24%	0.243	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.7	177.3	-62.8	-89.9	0	0	0	112.1	Q413 R427 R428 E441 D442 P463 G464	Q413-Y430 VanDerWaalsContact NE2-CG 3.32Å; R427-Y430 HydrophobicContact CB-CD2 4.2Å; R427-Y430 WeakPolarHBondContact O-CB 3.45Å; R427-Y430 PolarHBondContact O-N 2.9Å; R428-Y430 VanDerWaalsContact C-N 3.34Å; Y430-E441 CarbonylContact C-O 3.56Å; Y430-E441 WeakPolarHBondContact CA-O 3.05Å; Y430-E441 WeakPolarHBondContact CB-O 3.41Å; Y430-D442 HydrophobicContact CD1-CB 4.49Å; Y430-D442 HydrophobicContact CE1-CB 4.33Å; Y430-P463 VanDerWaalsContact OH-C 3.31Å; Y430-P463 WeakPolarHBondContact OH-CB 3.17Å; Y430-G464 PolarHBondContact OH-N 2.62Å
431	Q	91.4	Very high	90.8	Very high	96 Å²	96	81 Å²	81	45%	0.449	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	153.5	171.7	62.6	178.9	30.9	0	0	110.5	C440 E441 I443	Q431-C440 CarbonylContact O-C 3.45Å; Q431-C440 VanDerWaalsContact O-CA 3.31Å; Q431-C440 WeakPolarHBondContact O-CA 3.06Å; Q431-E441 HydrophobicContact CG-CB 4.49Å; Q431-E441 PolarHBondContact N-O 3.13Å; Q431-E441 PolarHBondContact O-N 2.62Å; Q431-I443 HydrophobicContact CB-CD1 4.07Å; Q431-I443 HydrophobicContact CB-CG1 3.85Å; Q431-I443 HydrophobicContact CG-CG1 3.96Å
432	L	92.2	Very high	90.9	Very high	59 Å²	59	80.6 Å²	80.6	31%	0.309	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	135.9	175.3	-164.5	70.1	0	0	0	109.3	C424 C426 D434 A437	C424-L432 HydrophobicContact CB-CD1 3.97Å; C426-L432 VanDerWaalsContact SG-CD1 3.57Å; L432-D434 PolarHBondContact O-N 3.03Å; L432-A437 HydrophobicContact CD2-CB 4.29Å
433	N	90.9	Very high	90.8	Very high	23 Å²	23	79.6 Å²	79.6	12%	0.123	39%	0.39	C	S	.	.			trans	-67.4	127.1	177.8	176.8	-57.1	0	0	0	110.8	I435 D436 A437 T439 E441	N433-I435 PolarHBondContact O-N 2.87Å; N433-I435 WeakPolarHBondContact OD1-CA 3.38Å; N433-I435 VanDerWaalsContact OD1-CB 3.28Å; N433-I435 WeakPolarHBondContact OD1-CB 3.28Å; N433-I435 PolarHBondContact OD1-N 3.48Å; N433-D436 PolarHBondContact OD1-N 3.32Å; N433-A437 WeakPolarHBondContact O-CA 3.41Å; N433-A437 PolarHBondContact O-N 2.87Å; N433-T439 WeakPolarHBondContact CB-O 3.33Å; N433-T439 VanDerWaalsContact CB-OG1 3.27Å; N433-T439 WeakPolarHBondContact CB-OG1 3.42Å; N433-T439 PolarHBondContact N-O 2.7Å; N433-E441 HydrophobicContact CB-CG 4.42Å; N433-E441 PolarHBondContact ND2-OE1 2.82Å
434	D	86.3	Confident	90.7	Very high	164 Å²	164	78.3 Å²	78.3	88%	0.877	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.5	-175.4	-65.9	-54.5	0	0	0	115.1	L432	L432-D434 PolarHBondContact O-N 3.03Å
435	I	85.4	Confident	90.5	Very high	147 Å²	147	79.2 Å²	79.2	75%	0.754	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-55.7	-176.8	-53.1	173.8	0	0	0	110.5	N433	N433-I435 PolarHBondContact O-N 2.87Å; N433-I435 WeakPolarHBondContact OD1-CA 3.38Å; N433-I435 VanDerWaalsContact OD1-CB 3.28Å; N433-I435 WeakPolarHBondContact OD1-CB 3.28Å; N433-I435 PolarHBondContact OD1-N 3.48Å
436	D	86.9	Confident	90.3	Very high	92 Å²	92	75.6 Å²	75.6	49%	0.492	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-17.7	-170.2	-69.2	-33	0	0	0	113.4	N433 M438	N433-D436 PolarHBondContact OD1-N 3.32Å; D436-M438 HydrophobicContact CB-CE 4.39Å; D436-M438 WeakPolarHBondContact O-CE 3.45Å; D436-M438 WeakPolarHBondContact O-CG 3.3Å; D436-M438 PolarHBondContact O-N 3.33Å
437	A	85.4	Confident	90	Very high	56 Å²	56	77.6 Å²	77.6	46%	0.463	40%	0.399	S	S	.	.	S	Bend	trans	52.2	17.9	-177.7	0	0	0	0	0	116	C424 L432 N433	C424-A437 WeakPolarHBondContact CB-O 3.05Å; L432-A437 HydrophobicContact CD2-CB 4.29Å; N433-A437 WeakPolarHBondContact O-CA 3.41Å; N433-A437 PolarHBondContact O-N 2.87Å
438	M	88.1	Confident	89.4	Confident	63 Å²	63	74.3 Å²	74.3	31%	0.31	39%	0.392	S	S	.	.	S	Bend	trans	-126.6	-28.1	-178.4	-68.3	177.2	-74.1	0	0	113.5	P410 S412 Y422 D436	P410-M438 HydrophobicContact CB-SD 4.38Å; S412-M438 WeakPolarHBondContact CB-O 3.46Å; S412-M438 PolarHBondContact N-O 3.23Å; S412-M438 PolarHBondContact OG-O 3.23Å; Y422-M438 HydrophobicContact CE2-CG 4.26Å; Y422-M438 PolarHBondContact OH-SD 3.16Å; D436-M438 HydrophobicContact CB-CE 4.39Å; D436-M438 WeakPolarHBondContact O-CE 3.45Å; D436-M438 WeakPolarHBondContact O-CG 3.3Å; D436-M438 PolarHBondContact O-N 3.33Å
439	T	91.8	Very high	88.2	Confident	54 Å²	54	69.3 Å²	69.3	33%	0.331	39%	0.391	S	S	.	.			trans	-91.2	129.2	-178.4	38.4	0	0	0	0	110.7	S412 N433	S412-T439 WeakPolarHBondContact OG-CA 3.08Å; N433-T439 WeakPolarHBondContact CB-O 3.33Å; N433-T439 VanDerWaalsContact CB-OG1 3.27Å; N433-T439 WeakPolarHBondContact CB-OG1 3.42Å; N433-T439 PolarHBondContact N-O 2.7Å
440	C	93.9	Very high	86.8	Confident	20 Å²	20	73.7 Å²	73.7	14%	0.135	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	114.9	177.6	-69	0	0	0	0	109.7	S412 Q413 C426 Q431	S412-C440 PolarHBondContact OG-N 3.46Å; Q413-C440 HydrophobicContact CG-CB 3.81Å; Q413-C440 VanDerWaalsContact NE2-CB 3.32Å; C426-C440 WeakPolarHBondContact CA-SG 3.23Å; C426-C440 HydrophobicContact CB-CB 3.76Å; C426-C440 WeakPolarHBondContact CB-SG 3.07Å; C426-C440 VanDerWaalsContact SG-CA 3.54Å; C426-C440 WeakPolarHBondContact SG-CB 3.31Å; C426-C440 CovalentContact SG-SG 2.04Å; C426-C440 PolarHBondContact SG-SG 3.23Å; Q431-C440 CarbonylContact O-C 3.45Å; Q431-C440 VanDerWaalsContact O-CA 3.31Å; Q431-C440 WeakPolarHBondContact O-CA 3.06Å
441	E	92.3	Very high	84.7	Confident	87 Å²	87	70.9 Å²	70.9	41%	0.407	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	151.4	-178.2	-66	-176.8	175.1	0	0	111.2	Y430 Q431 N433	Y430-E441 CarbonylContact C-O 3.56Å; Y430-E441 WeakPolarHBondContact CA-O 3.05Å; Y430-E441 WeakPolarHBondContact CB-O 3.41Å; Q431-E441 HydrophobicContact CG-CB 4.49Å; Q431-E441 PolarHBondContact N-O 3.13Å; Q431-E441 PolarHBondContact O-N 2.62Å; N433-E441 HydrophobicContact CB-CG 4.42Å; N433-E441 PolarHBondContact ND2-OE1 2.82Å
442	D	93.6	Very high	83	Confident	53 Å²	53	69.4 Å²	69.4	28%	0.283	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.7	-177	-169	48.3	0	0	0	111.2	Y430 D444 N461 P463 G464	Y430-D442 HydrophobicContact CD1-CB 4.49Å; Y430-D442 HydrophobicContact CE1-CB 4.33Å; D442-D444 PolarHBondContact O-N 3.42Å; D442-N461 PolarHBondContact OD2-ND2 3.24Å; D442-P463 VanDerWaalsContact OD1-CA 3.31Å; D442-P463 WeakPolarHBondContact OD1-CA 3.32Å; D442-G464 PolarHBondContact OD1-N 2.92Å
443	I	91.3	Very high	81.6	Confident	46 Å²	46	74.2 Å²	74.2	24%	0.236	44%	0.436	C	S	.	.			trans	-85.2	99.8	176.1	-57.2	172.3	0	0	0	108	G429 Q431 E445 L448	G429-I443 WeakPolarHBondContact O-CB 3.38Å; G429-I443 PolarHBondContact O-N 3.07Å; Q431-I443 HydrophobicContact CB-CD1 4.07Å; Q431-I443 HydrophobicContact CB-CG1 3.85Å; Q431-I443 HydrophobicContact CG-CG1 3.96Å; I443-E445 VanDerWaalsContact C-N 3.35Å; I443-E445 HydrophobicContact CG2-CG 4.26Å; I443-E445 WeakPolarHBondContact O-CG 3.2Å; I443-E445 PolarHBondContact O-N 3.45Å; I443-L448 HydrophobicContact CG2-CD1 4.39Å
444	D	90.2	Very high	81.2	Confident	67 Å²	67	74.6 Å²	74.6	36%	0.358	44%	0.437	S	S	.	.			trans	-66.5	92.2	172.6	-172	-28	0	0	0	110.6	D442 C446 A447 L448 N461	D442-D444 PolarHBondContact O-N 3.42Å; D444-C446 PolarHBondContact O-N 2.71Å; D444-C446 WeakPolarHBondContact OD1-CA 3.43Å; D444-C446 VanDerWaalsContact OD1-CB 3.26Å; D444-C446 WeakPolarHBondContact OD1-CB 3.09Å; D444-C446 PolarHBondContact OD1-N 2.95Å; D444-A447 HydrophobicContact CB-CB 3.96Å; D444-A447 PolarHBondContact O-N 2.85Å; D444-A447 VanDerWaalsContact O-N 3.09Å; D444-A447 PolarHBondContact OD1-N 3.03Å; D444-L448 PolarHBondContact O-N 3.46Å; D444-N461 WeakPolarHBondContact CA-ND2 3.11Å
445	E	89.4	Confident	81.3	Confident	29 Å²	29	67.3 Å²	67.3	14%	0.136	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.5	-177.7	-53.2	112.7	136.8	0	0	112.3	I443 A447 L448 G451 I454 F466	I443-E445 VanDerWaalsContact C-N 3.35Å; I443-E445 HydrophobicContact CG2-CG 4.26Å; I443-E445 WeakPolarHBondContact O-CG 3.2Å; I443-E445 PolarHBondContact O-N 3.45Å; E445-A447 VanDerWaalsContact C-N 3.35Å; E445-L448 HydrophobicContact CB-CD1 4.27Å; E445-L448 HydrophobicContact CG-CD1 4.47Å; E445-G451 VanDerWaalsContact O-CA 3.22Å; E445-G451 WeakPolarHBondContact O-CA 3.47Å; E445-I454 HydrophobicContact CB-CD1 4.04Å; E445-F466 HydrophobicContact CB-CB 4.47Å; E445-F466 HydrophobicContact CB-CD1 3.87Å; E445-F466 HydrophobicContact CB-CG 4.39Å; E445-F466 VanDerWaalsContact CD-CD1 3.49Å; E445-F466 HydrophobicContact CG-CD1 4.06Å; E445-F466 WeakPolarHBondContact OE2-CB 3.43Å; E445-F466 WeakPolarHBondContact OE2-CD1 3.3Å; E445-F466 PolarHBondContact OE2-N 3.06Å
446	C	88.3	Confident	81.3	Confident	38 Å²	38	61 Å²	61	26%	0.257	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-26	174.1	-51	0	0	0	0	112.2	D444 C459 H460 N461	D444-C446 PolarHBondContact O-N 2.71Å; D444-C446 WeakPolarHBondContact OD1-CA 3.43Å; D444-C446 VanDerWaalsContact OD1-CB 3.26Å; D444-C446 WeakPolarHBondContact OD1-CB 3.09Å; D444-C446 PolarHBondContact OD1-N 2.95Å; C446-C459 VanDerWaalsContact CA-SG 3.5Å; C446-C459 HydrophobicContact CB-CB 3.75Å; C446-C459 WeakPolarHBondContact CB-SG 3.46Å; C446-C459 VanDerWaalsContact SG-C 3.5Å; C446-C459 WeakPolarHBondContact SG-CB 3.03Å; C446-C459 CovalentContact SG-SG 2.04Å; C446-C459 PolarHBondContact SG-SG 3.35Å; C446-H460 VanDerWaalsContact SG-C 3.56Å; C446-N461 PolarHBondContact SG-N 2.88Å; C446-N461 VanDerWaalsContact SG-N 3.37Å
447	A	86.1	Confident	81.3	Confident	76 Å²	76	61.8 Å²	61.8	63%	0.628	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-10.6	179	0	0	0	0	0	114.6	D444 E445	D444-A447 HydrophobicContact CB-CB 3.96Å; D444-A447 PolarHBondContact O-N 2.85Å; D444-A447 VanDerWaalsContact O-N 3.09Å; D444-A447 PolarHBondContact OD1-N 3.03Å; E445-A447 VanDerWaalsContact C-N 3.35Å
448	L	81.6	Confident	81.4	Confident	71 Å²	71	65.8 Å²	65.8	37%	0.372	37%	0.368	S	S	.	.	S	Bend	trans	-62.9	152.7	-178.9	-68.3	175.9	0	0	0	112.7	I443 D444 E445 T450 G451	I443-L448 HydrophobicContact CG2-CD1 4.39Å; D444-L448 PolarHBondContact O-N 3.46Å; E445-L448 HydrophobicContact CB-CD1 4.27Å; E445-L448 HydrophobicContact CG-CD1 4.47Å; L448-T450 PolarHBondContact O-N 3.23Å; L448-T450 VanDerWaalsContact O-N 3.13Å; L448-G451 WeakPolarHBondContact O-CA 3.48Å; L448-G451 PolarHBondContact O-N 3.45Å
449	P	65.3	Low	81.6	Confident	138 Å²	138	64.2 Å²	64.2	90%	0.896	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.1	176.6	-25.5	35.2	0	0	0	114.6
450	T	59.2	Low	81.5	Confident	106 Å²	106	64.8 Å²	64.8	65%	0.65	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-7.9	171.1	46.4	0	0	0	0	113.2	L448 G452 H453	L448-T450 PolarHBondContact O-N 3.23Å; L448-T450 VanDerWaalsContact O-N 3.13Å; T450-G452 VanDerWaalsContact C-N 3.28Å; T450-G452 PolarHBondContact O-N 3.23Å; T450-H453 PolarHBondContact O-N 3.38Å
451	G	49.8	Very low	81.4	Confident	4 Å²	4	66.1 Å²	66.1	4%	0.041	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-61.2	-31.2	-175.7	0	0	0	0	0	114.1	E445 L448 H453 I454	E445-G451 VanDerWaalsContact O-CA 3.22Å; E445-G451 WeakPolarHBondContact O-CA 3.47Å; L448-G451 WeakPolarHBondContact O-CA 3.48Å; L448-G451 PolarHBondContact O-N 3.45Å; G451-H453 PolarHBondContact O-N 3.03Å; G451-I454 WeakPolarHBondContact O-CB 3.37Å; G451-I454 PolarHBondContact O-N 3.19Å
452	G	54.7	Low	81.4	Confident	64 Å²	64	64.7 Å²	64.7	66%	0.66	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-59.2	-9.3	176.9	0	0	0	0	0	115.8	T450	T450-G452 VanDerWaalsContact C-N 3.28Å; T450-G452 PolarHBondContact O-N 3.23Å
453	H	64.2	Low	81.3	Confident	161 Å²	161	67.1 Å²	67.1	75%	0.745	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-121.3	10.2	174.7	-61.5	-66	0	0	0	114.1	T450 G451	T450-H453 PolarHBondContact O-N 3.38Å; G451-H453 PolarHBondContact O-N 3.03Å
454	I	82.5	Confident	81.3	Confident	30 Å²	30	65.9 Å²	65.9	15%	0.154	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-32.3	179.4	-73.2	-177.4	0	0	0	112.3	E445 G451 F466 R482	E445-I454 HydrophobicContact CB-CD1 4.04Å; G451-I454 WeakPolarHBondContact O-CB 3.37Å; G451-I454 PolarHBondContact O-N 3.19Å; I454-F466 HydrophobicContact CG2-CD1 4.33Å; I454-F466 HydrophobicContact CG2-CD2 3.78Å; I454-F466 HydrophobicContact CG2-CE1 3.85Å; I454-F466 HydrophobicContact CG2-CE2 3.25Å; I454-F466 HydrophobicContact CG2-CG 4.3Å; I454-F466 HydrophobicContact CG2-CZ 3.28Å; I454-R482 WeakPolarHBondContact O-CD 3.42Å
455	C	86.6	Confident	81.3	Confident	12 Å²	12	65.5 Å²	65.5	8%	0.081	39%	0.385	C	S	.	.	S	Bend	trans	-121.1	145.3	175.2	-61	0	0	0	0	110.3	Y457 C459 C468	C455-Y457 PolarHBondContact O-N 2.65Å; C455-C459 HydrophobicContact CB-CB 4.17Å; C455-C459 WeakPolarHBondContact SG-CA 3.27Å; C455-C459 VanDerWaalsContact SG-CB 3.53Å; C455-C468 VanDerWaalsContact CA-SG 3.5Å; C455-C468 HydrophobicContact CB-CB 3.68Å; C455-C468 WeakPolarHBondContact CB-SG 3.43Å; C455-C468 WeakPolarHBondContact SG-CA 3.34Å; C455-C468 WeakPolarHBondContact SG-CB 3.07Å; C455-C468 CovalentContact SG-SG 2.02Å; C455-C468 PolarHBondContact SG-SG 3.12Å
456	S	85.9	Confident	81.4	Confident	14 Å²	14	65.4 Å²	65.4	10%	0.098	38%	0.384	C	S	.	.	S	Bend	trans	-67.1	-34.2	177.1	-78.5	0	0	0	0	113.9	R482 S483 W667 F668	S456-R482 PolarHBondContact N-O 3.02Å; S456-S483 WeakPolarHBondContact OG-CA 3.29Å; S456-W667 PolarHBondContact O-NE1 2.72Å; S456-F668 VanDerWaalsContact O-CD1 3.26Å; S456-F668 WeakPolarHBondContact O-CD1 3.41Å; S456-F668 VanDerWaalsContact O-CE1 3.25Å; S456-F668 WeakPolarHBondContact O-CE1 3.22Å
457	Y	87.1	Confident	81.6	Confident	109 Å²	109	68.1 Å²	68.1	43%	0.427	39%	0.393	S	S	.	.	S	Bend	trans	-120.2	-75.8	-178.7	176.3	-113.8	0	0	0	113.6	C455 S469 P471 F666	C455-Y457 PolarHBondContact O-N 2.65Å; Y457-S469 WeakPolarHBondContact CB-O 3.47Å; Y457-S469 WeakPolarHBondContact CD1-O 3.06Å; Y457-P471 HydrophobicContact CD1-CG 4.25Å; Y457-P471 HydrophobicContact CD2-CG 4.18Å; Y457-P471 HydrophobicContact CE1-CG 4.46Å; Y457-P471 HydrophobicContact CE2-CG 4.39Å; Y457-P471 HydrophobicContact CG-CG 4.11Å; Y457-F666 HydrophobicContact CD2-CD1 4.16Å; Y457-F666 AromaticContact CD2-CE1 3.95Å; Y457-F666 HydrophobicContact CD2-CE1 3.95Å; Y457-F666 HydrophobicContact CE2-CD1 4.38Å; Y457-F666 AromaticContact CE2-CE1 3.74Å; Y457-F666 HydrophobicContact CE2-CE1 3.74Å
458	R	88.3	Confident	81.8	Confident	139 Å²	139	65 Å²	65	53%	0.525	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.2	-179.5	179.3	-173.9	-70.8	-137	3.5	111.8	H460 C468 S469	R458-H460 WeakPolarHBondContact CD-CE1 3.3Å; R458-C468 WeakPolarHBondContact O-CA 3.46Å; R458-S469 PolarHBondContact N-O 3.17Å; R458-S469 PolarHBondContact O-N 3.49Å; R458-S469 PolarHBondContact O-OG 2.96Å
459	C	90.9	Very high	82.3	Confident	31 Å²	31	63.2 Å²	63.2	21%	0.209	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	142.5	168.6	-170.8	0	0	0	0	110.4	C446 C455	C446-C459 VanDerWaalsContact CA-SG 3.5Å; C446-C459 HydrophobicContact CB-CB 3.75Å; C446-C459 WeakPolarHBondContact CB-SG 3.46Å; C446-C459 VanDerWaalsContact SG-C 3.5Å; C446-C459 WeakPolarHBondContact SG-CB 3.03Å; C446-C459 CovalentContact SG-SG 2.04Å; C446-C459 PolarHBondContact SG-SG 3.35Å; C455-C459 HydrophobicContact CB-CB 4.17Å; C455-C459 WeakPolarHBondContact SG-CA 3.27Å; C455-C459 VanDerWaalsContact SG-CB 3.53Å
460	H	91.4	Very high	83.5	Confident	65 Å²	65	57.8 Å²	57.8	30%	0.301	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	119.8	168.6	-50.9	-101.7	0	0	0	108.6	C446 R458 F466 H467 S469	C446-H460 VanDerWaalsContact SG-C 3.56Å; R458-H460 WeakPolarHBondContact CD-CE1 3.3Å; H460-F466 CarbonylContact O-C 3.57Å; H460-F466 VanDerWaalsContact O-CA 3.31Å; H460-F466 WeakPolarHBondContact O-CA 3.38Å; H460-H467 AromaticContact CD2-NE2 3.77Å; H460-H467 PolarHBondContact N-O 2.86Å; H460-H467 PolarHBondContact O-N 3.45Å; H460-S469 PolarHBondContact NE2-OG 3.1Å
461	N	91.3	Very high	85	Confident	49 Å²	49	53.5 Å²	53.5	26%	0.262	30%	0.299	S	S	.	.			trans	-71.6	143.7	175.7	-176.2	29.4	0	0	0	111	D442 D444 C446	D442-N461 PolarHBondContact OD2-ND2 3.24Å; D444-N461 WeakPolarHBondContact CA-ND2 3.11Å; C446-N461 PolarHBondContact SG-N 2.88Å; C446-N461 VanDerWaalsContact SG-N 3.37Å
462	T	91.9	Very high	86.4	Confident	57 Å²	57	58.1 Å²	58.1	35%	0.35	34%	0.337	S	S	.	.			trans	-143.5	155	169	69.9	0	0	0	0	110.1	G464 S465	T462-G464 PolarHBondContact O-N 3.42Å; T462-S465 CarbonylContact C-O 3.52Å; T462-S465 WeakPolarHBondContact CA-O 3.15Å; T462-S465 WeakPolarHBondContact CB-O 3.39Å; T462-S465 PolarHBondContact N-O 3.06Å; T462-S465 VanDerWaalsContact N-O 3.16Å; T462-S465 CarbonylContact O-C 3.58Å; T462-S465 VanDerWaalsContact O-C 3.3Å; T462-S465 PolarHBondContact O-N 2.04Å; T462-S465 PolarHBondContact OG1-O 3.13Å
463	P	91.9	Very high	87.8	Confident	104 Å²	104	61.5 Å²	61.5	68%	0.675	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	110.5	-172.1	-29.9	37.2	0	0	0	114.2	Y430 D442	Y430-P463 VanDerWaalsContact OH-C 3.31Å; Y430-P463 WeakPolarHBondContact OH-CB 3.17Å; D442-P463 VanDerWaalsContact OD1-CA 3.31Å; D442-P463 WeakPolarHBondContact OD1-CA 3.32Å
464	G	89.8	Confident	88.8	Confident	20 Å²	20	54.4 Å²	54.4	21%	0.206	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	3.9	-179.6	0	0	0	0	0	116.4	Y430 D442 T462	Y430-G464 PolarHBondContact OH-N 2.62Å; D442-G464 PolarHBondContact OD1-N 2.92Å; T462-G464 PolarHBondContact O-N 3.42Å
465	S	91.3	Very high	89.1	Confident	59 Å²	59	53.5 Å²	53.5	41%	0.413	31%	0.305	S	S	.	.			trans	-175.7	137.5	174.4	-177.9	0	0	0	0	112.4	T462	T462-S465 CarbonylContact C-O 3.52Å; T462-S465 WeakPolarHBondContact CA-O 3.15Å; T462-S465 WeakPolarHBondContact CB-O 3.39Å; T462-S465 PolarHBondContact N-O 3.06Å; T462-S465 VanDerWaalsContact N-O 3.16Å; T462-S465 CarbonylContact O-C 3.58Å; T462-S465 VanDerWaalsContact O-C 3.3Å; T462-S465 PolarHBondContact O-N 2.04Å; T462-S465 PolarHBondContact OG1-O 3.13Å
466	F	91.4	Very high	89.4	Confident	26 Å²	26	56.5 Å²	56.5	11%	0.114	32%	0.323	C	S	.	.			trans	-69.6	167.8	160.4	73.1	-75.6	0	0	0	114	E445 I454 H460 R482	E445-F466 HydrophobicContact CB-CB 4.47Å; E445-F466 HydrophobicContact CB-CD1 3.87Å; E445-F466 HydrophobicContact CB-CG 4.39Å; E445-F466 VanDerWaalsContact CD-CD1 3.49Å; E445-F466 HydrophobicContact CG-CD1 4.06Å; E445-F466 WeakPolarHBondContact OE2-CB 3.43Å; E445-F466 WeakPolarHBondContact OE2-CD1 3.3Å; E445-F466 PolarHBondContact OE2-N 3.06Å; I454-F466 HydrophobicContact CG2-CD1 4.33Å; I454-F466 HydrophobicContact CG2-CD2 3.78Å; I454-F466 HydrophobicContact CG2-CE1 3.85Å; I454-F466 HydrophobicContact CG2-CE2 3.25Å; I454-F466 HydrophobicContact CG2-CG 4.3Å; I454-F466 HydrophobicContact CG2-CZ 3.28Å; H460-F466 CarbonylContact O-C 3.57Å; H460-F466 VanDerWaalsContact O-CA 3.31Å; H460-F466 WeakPolarHBondContact O-CA 3.38Å; F466-R482 HydrophobicContact CE2-CG 4.41Å
467	H	91.5	Very high	89.6	Confident	96 Å²	96	59.6 Å²	59.6	44%	0.444	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.6	157.9	67.5	-78.3	0	0	0	111.9	H460	H460-H467 AromaticContact CD2-NE2 3.77Å; H460-H467 PolarHBondContact N-O 2.86Å; H460-H467 PolarHBondContact O-N 3.45Å
468	C	91.9	Very high	89.7	Confident	9 Å²	9	55.3 Å²	55.3	6%	0.061	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	152.3	178.1	-57.3	0	0	0	0	112.1	C455 R458 L477 G481	C455-C468 VanDerWaalsContact CA-SG 3.5Å; C455-C468 HydrophobicContact CB-CB 3.68Å; C455-C468 WeakPolarHBondContact CB-SG 3.43Å; C455-C468 WeakPolarHBondContact SG-CA 3.34Å; C455-C468 WeakPolarHBondContact SG-CB 3.07Å; C455-C468 CovalentContact SG-SG 2.02Å; C455-C468 PolarHBondContact SG-SG 3.12Å; R458-C468 WeakPolarHBondContact O-CA 3.46Å; C468-L477 HydrophobicContact CB-CD1 4.06Å; C468-G481 WeakPolarHBondContact CB-O 3.11Å
469	S	91.3	Very high	89.7	Confident	34 Å²	34	56.2 Å²	56.2	24%	0.238	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	154	172.2	60.3	0	0	0	0	110.8	Y457 R458 H460	Y457-S469 WeakPolarHBondContact CB-O 3.47Å; Y457-S469 WeakPolarHBondContact CD1-O 3.06Å; R458-S469 PolarHBondContact N-O 3.17Å; R458-S469 PolarHBondContact O-N 3.49Å; R458-S469 PolarHBondContact O-OG 2.96Å; H460-S469 PolarHBondContact NE2-OG 3.1Å
470	C	91.1	Very high	89.5	Confident	25 Å²	25	59 Å²	59	17%	0.169	36%	0.358	C	S	.	.			trans	-116.2	165.2	-179.1	-65.7	0	0	0	0	111.2	A472 C484	C470-A472 PolarHBondContact O-N 3.38Å; C470-C484 WeakPolarHBondContact CA-SG 3.05Å; C470-C484 HydrophobicContact CB-CB 3.86Å; C470-C484 WeakPolarHBondContact CB-SG 3.48Å; C470-C484 WeakPolarHBondContact SG-CA 3.31Å; C470-C484 WeakPolarHBondContact SG-CB 3.33Å; C470-C484 CovalentContact SG-SG 2.04Å; C470-C484 PolarHBondContact SG-SG 3.22Å
471	P	89.4	Confident	89.2	Confident	15 Å²	15	57.5 Å²	57.5	10%	0.097	36%	0.36	C	S	.	.			trans	-56.4	134.4	170.3	-22.2	33.8	0	0	0	110.6	Y457 N473 Y475 F666 F668	Y457-P471 HydrophobicContact CD1-CG 4.25Å; Y457-P471 HydrophobicContact CD2-CG 4.18Å; Y457-P471 HydrophobicContact CE1-CG 4.46Å; Y457-P471 HydrophobicContact CE2-CG 4.39Å; Y457-P471 HydrophobicContact CG-CG 4.11Å; P471-N473 PolarHBondContact O-N 3.23Å; P471-Y475 HydrophobicContact CB-CD2 4.15Å; P471-Y475 HydrophobicContact CG-CD2 4.08Å; P471-F666 HydrophobicContact CB-CE2 4.1Å; P471-F666 HydrophobicContact CB-CZ 3.92Å; P471-F666 HydrophobicContact CG-CD1 4.08Å; P471-F666 HydrophobicContact CG-CD2 4.2Å; P471-F666 HydrophobicContact CG-CE1 3.66Å; P471-F666 HydrophobicContact CG-CE2 3.77Å; P471-F666 HydrophobicContact CG-CG 4.34Å; P471-F666 HydrophobicContact CG-CZ 3.49Å; P471-F666 VanDerWaalsContact CG-CZ 3.49Å; P471-F668 HydrophobicContact CG-CZ 4.09Å
472	A	80.8	Confident	89.1	Confident	102 Å²	102	60.8 Å²	60.8	84%	0.843	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-8	-176.1	0	0	0	0	0	114.4	C470	C470-A472 PolarHBondContact O-N 3.38Å
473	N	82.3	Confident	89	Confident	135 Å²	135	60.1 Å²	60.1	72%	0.722	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	130.8	177.9	-55.4	-13	0	0	0	107.8	P471 Y475	P471-N473 PolarHBondContact O-N 3.23Å; N473-Y475 PolarHBondContact O-N 3.3Å
474	G	85.3	Confident	88.9	Confident	11 Å²	11	55.6 Å²	55.6	11%	0.113	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	-8.4	173.7	0	0	0	0	0	117.1	V487	G474-V487 PolarHBondContact O-N 3.19Å
475	Y	90.6	Very high	88.9	Confident	12 Å²	12	60.3 Å²	60.3	5%	0.047	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.5	-177.3	-67.8	-84.3	0	0	0	113.6	P471 N473 C484 Q485 D486 Q507 G508 S664 F666 F668	P471-Y475 HydrophobicContact CB-CD2 4.15Å; P471-Y475 HydrophobicContact CG-CD2 4.08Å; N473-Y475 PolarHBondContact O-N 3.3Å; Y475-C484 HydrophobicContact CD1-CB 4.28Å; Y475-Q485 CarbonylContact C-O 3.27Å; Y475-Q485 WeakPolarHBondContact CA-O 3.12Å; Y475-D486 HydrophobicContact CD1-CB 4.44Å; Y475-D486 HydrophobicContact CE1-CB 4.18Å; Y475-Q507 VanDerWaalsContact OH-C 3.26Å; Y475-Q507 PolarHBondContact OH-OE1 2.79Å; Y475-G508 PolarHBondContact OH-N 3.5Å; Y475-S664 PolarHBondContact OH-OG 3.06Å; Y475-S664 VanDerWaalsContact OH-OG 3.11Å; Y475-F666 HydrophobicContact CD2-CD2 4.23Å; Y475-F666 HydrophobicContact CD2-CE2 4.5Å; Y475-F666 AromaticContact CE2-CD2 3.48Å; Y475-F666 HydrophobicContact CE2-CD2 3.48Å; Y475-F666 VanDerWaalsContact CE2-CD2 3.48Å; Y475-F666 HydrophobicContact CE2-CE2 4.05Å; Y475-F666 HydrophobicContact CE2-CG 4.3Å; Y475-F668 HydrophobicContact CD1-CD2 4.05Å; Y475-F668 AromaticContact CD1-CE2 3.64Å; Y475-F668 HydrophobicContact CD1-CE2 3.64Å; Y475-F668 HydrophobicContact CD2-CE2 4.28Å; Y475-F668 AromaticContact CE1-CD2 3.72Å; Y475-F668 HydrophobicContact CE1-CD2 3.72Å; Y475-F668 AromaticContact CE1-CE2 3.54Å; Y475-F668 HydrophobicContact CE1-CE2 3.54Å; Y475-F668 HydrophobicContact CE2-CE2 4.18Å; Y475-F668 HydrophobicContact CG-CE2 4.01Å; Y475-F668 AromaticContact CZ-CE2 3.82Å
476	T	91.2	Very high	88.9	Confident	75 Å²	75	58.7 Å²	58.7	46%	0.46	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	159.4	171.8	48.5	0	0	0	0	111.2	C484 Q485 V487	T476-C484 CarbonylContact O-C 3.59Å; T476-C484 WeakPolarHBondContact O-CA 3.48Å; T476-Q485 PolarHBondContact N-O 2.67Å; T476-Q485 PolarHBondContact O-N 2.94Å; T476-Q485 PolarHBondContact OG1-O 3.44Å; T476-V487 HydrophobicContact CG2-CG2 3.57Å
477	L	91.4	Very high	88.8	Confident	78 Å²	78	59 Å²	59	41%	0.408	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	122.4	174.9	-168	69.8	0	0	0	109.5	C468	C468-L477 HydrophobicContact CB-CD1 4.06Å
478	A	88.6	Confident	88.7	Confident	19 Å²	19	57.1 Å²	57.1	16%	0.157	34%	0.338	C	S	.	.			trans	-67.4	164.9	179.7	0	0	0	0	0	112.1	N480 G481 S483 Q485	A478-N480 PolarHBondContact O-N 3.1Å; A478-G481 PolarHBondContact O-N 3.07Å; A478-S483 WeakPolarHBondContact CB-O 3.47Å; A478-S483 PolarHBondContact N-O 2.92Å; A478-Q485 HydrophobicContact CB-CB 4.35Å
479	V	88.2	Confident	88.6	Confident	158 Å²	158	57.7 Å²	57.7	96%	0.958	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.5	-176.7	-173.4	0	0	0	0	113.6	G481	V479-G481 VanDerWaalsContact C-N 3.27Å; V479-G481 PolarHBondContact O-N 3.32Å
480	N	86.4	Confident	88.4	Confident	91 Å²	91	57.2 Å²	57.2	49%	0.487	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-5	175.5	71.4	0.7	0	0	0	114.5	A478 R482 S483	A478-N480 PolarHBondContact O-N 3.1Å; N480-R482 PolarHBondContact O-N 3.23Å; N480-R482 PolarHBondContact OD1-N 3.49Å; N480-S483 PolarHBondContact ND2-OG 3.07Å; N480-S483 PolarHBondContact OD1-N 3.39Å
481	G	86.7	Confident	88.2	Confident	33 Å²	33	61.7 Å²	61.7	34%	0.34	36%	0.363	S	S	.	.	S	Bend	trans	68.4	12	-179.4	0	0	0	0	0	115	C468 A478 V479	C468-G481 WeakPolarHBondContact CB-O 3.11Å; A478-G481 PolarHBondContact O-N 3.07Å; V479-G481 VanDerWaalsContact C-N 3.27Å; V479-G481 PolarHBondContact O-N 3.32Å
482	R	88.6	Confident	88.1	Confident	117 Å²	117	64.8 Å²	64.8	44%	0.442	38%	0.381	S	S	.	.	S	Bend	trans	-134.4	-39.5	-170.9	-65.7	-178.5	-172.6	-149.8	-0.9	114.8	I454 S456 F466 N480	I454-R482 WeakPolarHBondContact O-CD 3.42Å; S456-R482 PolarHBondContact N-O 3.02Å; F466-R482 HydrophobicContact CE2-CG 4.41Å; N480-R482 PolarHBondContact O-N 3.23Å; N480-R482 PolarHBondContact OD1-N 3.49Å
483	S	89	Confident	88.2	Confident	44 Å²	44	62.3 Å²	62.3	31%	0.308	37%	0.365	S	S	.	.			trans	-89.5	147.4	-179.3	-58.6	0	0	0	0	111	S456 A478 N480	S456-S483 WeakPolarHBondContact OG-CA 3.29Å; A478-S483 WeakPolarHBondContact CB-O 3.47Å; A478-S483 PolarHBondContact N-O 2.92Å; N480-S483 PolarHBondContact ND2-OG 3.07Å; N480-S483 PolarHBondContact OD1-N 3.39Å
484	C	90.8	Very high	88.3	Confident	9 Å²	9	61.4 Å²	61.4	6%	0.061	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.9	170.6	-59.3	0	0	0	0	109	C470 Y475 T476 F668	C470-C484 WeakPolarHBondContact CA-SG 3.05Å; C470-C484 HydrophobicContact CB-CB 3.86Å; C470-C484 WeakPolarHBondContact CB-SG 3.48Å; C470-C484 WeakPolarHBondContact SG-CA 3.31Å; C470-C484 WeakPolarHBondContact SG-CB 3.33Å; C470-C484 CovalentContact SG-SG 2.04Å; C470-C484 PolarHBondContact SG-SG 3.22Å; Y475-C484 HydrophobicContact CD1-CB 4.28Å; T476-C484 CarbonylContact O-C 3.59Å; T476-C484 WeakPolarHBondContact O-CA 3.48Å; C484-F668 HydrophobicContact CB-CD2 3.63Å; C484-F668 HydrophobicContact CB-CE2 3.46Å; C484-F668 VanDerWaalsContact CB-CE2 3.46Å; C484-F668 HydrophobicContact CB-CG 4.26Å; C484-F668 HydrophobicContact CB-CZ 3.96Å
485	Q	89.8	Confident	88.3	Confident	118 Å²	118	64 Å²	64	55%	0.551	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.3	177.3	-178.9	177.8	-17.3	0	0	109.2	Y475 T476 A478	Y475-Q485 CarbonylContact C-O 3.27Å; Y475-Q485 WeakPolarHBondContact CA-O 3.12Å; T476-Q485 PolarHBondContact N-O 2.67Å; T476-Q485 PolarHBondContact O-N 2.94Å; T476-Q485 PolarHBondContact OG1-O 3.44Å; A478-Q485 HydrophobicContact CB-CB 4.35Å
486	D	90.5	Very high	88.3	Confident	26 Å²	26	68.9 Å²	68.9	14%	0.139	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	141.9	174	-173.2	58.6	0	0	0	112.6	Y475 N505 Q507 G508	Y475-D486 HydrophobicContact CD1-CB 4.44Å; Y475-D486 HydrophobicContact CE1-CB 4.18Å; D486-N505 PolarHBondContact OD2-ND2 3.33Å; D486-Q507 WeakPolarHBondContact OD1-CA 3.23Å; D486-G508 PolarHBondContact OD1-N 2.9Å
487	V	89.7	Confident	88.1	Confident	33 Å²	33	66.3 Å²	66.3	20%	0.2	38%	0.384	C	S	.	.			trans	-105	104	-178.7	179.8	0	0	0	0	109	G474 T476 E489	G474-V487 PolarHBondContact O-N 3.19Å; T476-V487 HydrophobicContact CG2-CG2 3.57Å; V487-E489 VanDerWaalsContact O-CD 3.31Å; V487-E489 PolarHBondContact O-N 3.48Å
488	D	89.2	Confident	87.8	Confident	55 Å²	55	66.4 Å²	66.4	29%	0.294	39%	0.389	S	S	.	.			trans	-65.6	95.8	178.4	-168.9	-34.5	0	0	0	111.3	C490 V491 T492 N505	D488-C490 PolarHBondContact O-N 2.94Å; D488-C490 VanDerWaalsContact OD1-CA 3.3Å; D488-C490 WeakPolarHBondContact OD1-CA 3.43Å; D488-C490 VanDerWaalsContact OD1-CB 3.25Å; D488-C490 WeakPolarHBondContact OD1-CB 3.2Å; D488-C490 PolarHBondContact OD1-N 3.06Å; D488-V491 HydrophobicContact CB-CB 4.13Å; D488-V491 HydrophobicContact CB-CG2 4.37Å; D488-V491 PolarHBondContact O-N 3.26Å; D488-V491 PolarHBondContact OD1-N 3.45Å; D488-V491 WeakPolarHBondContact OD2-CG2 3.38Å; D488-T492 WeakPolarHBondContact O-CB 3.12Å; D488-T492 WeakPolarHBondContact O-CG2 3.25Å; D488-T492 PolarHBondContact O-N 2.87Å; D488-T492 PolarHBondContact O-OG1 2.04Å; D488-N505 WeakPolarHBondContact CA-OD1 3.38Å
489	E	89.9	Confident	87.3	Confident	22 Å²	22	75.1 Å²	75.1	10%	0.103	43%	0.426	C	S	.	.	H	α-helix	trans	-70.9	-19.7	178.2	-63.2	113.8	158.9	0	0	112.4	V487 T492 G493 I494 H495 G509 Y510	V487-E489 VanDerWaalsContact O-CD 3.31Å; V487-E489 PolarHBondContact O-N 3.48Å; E489-T492 WeakPolarHBondContact CA-OG1 3.15Å; E489-G493 CarbonylContact O-C 3.53Å; E489-G493 WeakPolarHBondContact O-CA 3.49Å; E489-G493 PolarHBondContact O-N 3.03Å; E489-I494 HydrophobicContact CB-CB 4.36Å; E489-I494 HydrophobicContact CG-CB 4.26Å; E489-I494 PolarHBondContact O-N 2.89Å; E489-I494 VanDerWaalsContact O-N 3.07Å; E489-H495 PolarHBondContact O-CD2 3.05Å; E489-G509 WeakPolarHBondContact OE2-CA 3.46Å; E489-Y510 HydrophobicContact CB-CD1 3.56Å; E489-Y510 HydrophobicContact CB-CE1 4.22Å; E489-Y510 HydrophobicContact CB-CG 4.24Å; E489-Y510 HydrophobicContact CG-CD1 3.93Å; E489-Y510 HydrophobicContact CG-CE1 4.41Å; E489-Y510 WeakPolarHBondContact OE2-CD1 3.13Å; E489-Y510 PolarHBondContact OE2-N 2.83Å
490	C	87.3	Confident	86.8	Confident	23 Å²	23	74.7 Å²	74.7	16%	0.155	42%	0.418	C	S	.	.	H	α-helix	trans	-75.1	-30.2	175.2	-57.8	0	0	0	0	112.9	D488 C503 F504 N505	D488-C490 PolarHBondContact O-N 2.94Å; D488-C490 VanDerWaalsContact OD1-CA 3.3Å; D488-C490 WeakPolarHBondContact OD1-CA 3.43Å; D488-C490 VanDerWaalsContact OD1-CB 3.25Å; D488-C490 WeakPolarHBondContact OD1-CB 3.2Å; D488-C490 PolarHBondContact OD1-N 3.06Å; C490-C503 WeakPolarHBondContact CA-SG 3.08Å; C490-C503 HydrophobicContact CB-CB 3.79Å; C490-C503 WeakPolarHBondContact CB-SG 3.3Å; C490-C503 WeakPolarHBondContact SG-CB 3.03Å; C490-C503 CovalentContact SG-SG 2.04Å; C490-C503 PolarHBondContact SG-SG 3.49Å; C490-F504 PolarHBondContact SG-N 2.04Å; C490-F504 VanDerWaalsContact SG-N 3.44Å; C490-N505 PolarHBondContact SG-N 2.79Å; C490-N505 VanDerWaalsContact SG-N 3.45Å
491	V	87.4	Confident	86.6	Confident	120 Å²	120	73.2 Å²	73.2	73%	0.727	41%	0.408	S	S	*	.	H	α-helix	trans	-89.9	-38.4	174.6	171.1	0	0	0	0	111.8	D488 G493	D488-V491 HydrophobicContact CB-CB 4.13Å; D488-V491 HydrophobicContact CB-CG2 4.37Å; D488-V491 PolarHBondContact O-N 3.26Å; D488-V491 PolarHBondContact OD1-N 3.45Å; D488-V491 WeakPolarHBondContact OD2-CG2 3.38Å; V491-G493 VanDerWaalsContact C-N 3.3Å
492	T	85.5	Confident	86.4	Confident	79 Å²	79	73.7 Å²	73.7	49%	0.485	41%	0.407	S	S	.	.	H	α-helix	trans	-78	-13.8	177.4	56.5	0	0	0	0	113.5	D488 E489	D488-T492 WeakPolarHBondContact O-CB 3.12Å; D488-T492 WeakPolarHBondContact O-CG2 3.25Å; D488-T492 PolarHBondContact O-N 2.87Å; D488-T492 PolarHBondContact O-OG1 2.04Å; E489-T492 WeakPolarHBondContact CA-OG1 3.15Å
493	G	83.3	Confident	86.2	Confident	50 Å²	50	68.3 Å²	68.3	52%	0.515	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	15.2	178.2	0	0	0	0	0	114.3	E489 V491 H495	E489-G493 CarbonylContact O-C 3.53Å; E489-G493 WeakPolarHBondContact O-CA 3.49Å; E489-G493 PolarHBondContact O-N 3.03Å; V491-G493 VanDerWaalsContact C-N 3.3Å; G493-H495 PolarHBondContact O-N 2.96Å; G493-H495 VanDerWaalsContact O-N 3.14Å
494	I	85.3	Confident	86	Confident	116 Å²	116	67.1 Å²	67.1	60%	0.595	38%	0.376	S	S	*	.			trans	-88.7	38.4	-177.7	-45.1	175.4	0	0	0	110.1	E489	E489-I494 HydrophobicContact CB-CB 4.36Å; E489-I494 HydrophobicContact CG-CB 4.26Å; E489-I494 PolarHBondContact O-N 2.89Å; E489-I494 VanDerWaalsContact O-N 3.07Å
495	H	85.9	Confident	85.8	Confident	66 Å²	66	69 Å²	69	31%	0.306	39%	0.386	S	S	.	.			trans	-116	147	-174.1	70.4	64.4	0	0	0	113	E489 G493 Y510	E489-H495 PolarHBondContact O-CD2 3.05Å; G493-H495 PolarHBondContact O-N 2.96Å; G493-H495 VanDerWaalsContact O-N 3.14Å; H495-Y510 HydrophobicContact CB-CD1 4.34Å; H495-Y510 HydrophobicContact CB-CD2 3.88Å; H495-Y510 HydrophobicContact CB-CE1 4.33Å; H495-Y510 HydrophobicContact CB-CE2 3.88Å; H495-Y510 HydrophobicContact CB-CG 4.13Å
496	T	89.4	Confident	85.7	Confident	115 Å²	115	64.1 Å²	64.1	71%	0.706	36%	0.363	S	S	*	.			trans	-94.3	8.7	179.1	55.8	0	0	0	0	114.7	Y510	T496-Y510 WeakPolarHBondContact CG2-OH 3.46Å; T496-Y510 PolarHBondContact N-OH 2.87Å; T496-Y510 VanDerWaalsContact N-OH 3.12Å; T496-Y510 PolarHBondContact OG1-OH 3.2Å
497	C	86.3	Confident	85.5	Confident	20 Å²	20	65.3 Å²	65.3	14%	0.135	37%	0.368	C	S	.	.			trans	-61.3	140.7	-177.3	-49.6	0	0	0	0	113.6	E501 C512	C497-E501 HydrophobicContact CB-CB 4.32Å; C497-C512 WeakPolarHBondContact CA-SG 3.5Å; C497-C512 HydrophobicContact CB-CB 3.61Å; C497-C512 WeakPolarHBondContact CB-SG 3.29Å; C497-C512 PolarHBondContact N-SG 3.18Å; C497-C512 WeakPolarHBondContact SG-CA 3.4Å; C497-C512 WeakPolarHBondContact SG-CB 3.31Å; C497-C512 CovalentContact SG-SG 2.03Å; C497-C512 PolarHBondContact SG-SG 2.98Å
498	T	86.1	Confident	85.4	Confident	81 Å²	81	65.2 Å²	65.2	50%	0.497	37%	0.373	S	S	.	.			trans	-79.8	164.3	176	67	0	0	0	0	112.3	N500 E501	T498-N500 PolarHBondContact O-N 3.33Å; T498-N500 VanDerWaalsContact O-N 3.07Å; T498-E501 WeakPolarHBondContact CB-OE2 3.48Å; T498-E501 WeakPolarHBondContact CG2-OE2 3.22Å; T498-E501 PolarHBondContact N-OE2 3.47Å; T498-E501 PolarHBondContact O-N 3.38Å; T498-E501 VanDerWaalsContact OG1-CD 3.23Å; T498-E501 WeakPolarHBondContact OG1-CG 3.26Å; T498-E501 PolarHBondContact OG1-OE2 3.02Å
499	E	77.4	Confident	85.3	Confident	202 Å²	202	63 Å²	63	94%	0.944	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.8	-177.9	-61.2	-174.2	154.2	0	0	114.5
500	N	79.3	Confident	85.3	Confident	149 Å²	149	64.5 Å²	64.5	80%	0.797	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.9	178.3	-68.9	-24.8	0	0	0	113.4	T498	T498-N500 PolarHBondContact O-N 3.33Å; T498-N500 VanDerWaalsContact O-N 3.07Å
501	E	82	Confident	85.3	Confident	59 Å²	59	68 Å²	68	28%	0.276	38%	0.379	S	S	.	.	S	Bend	trans	-104.9	148.8	-177.6	-68.8	165.2	136.6	0	0	111	C497 T498 C512	C497-E501 HydrophobicContact CB-CB 4.32Å; T498-E501 WeakPolarHBondContact CB-OE2 3.48Å; T498-E501 WeakPolarHBondContact CG2-OE2 3.22Å; T498-E501 PolarHBondContact N-OE2 3.47Å; T498-E501 PolarHBondContact O-N 3.38Å; T498-E501 VanDerWaalsContact OG1-CD 3.23Å; T498-E501 WeakPolarHBondContact OG1-CG 3.26Å; T498-E501 PolarHBondContact OG1-OE2 3.02Å; E501-C512 HydrophobicContact CB-CB 4.19Å; E501-C512 HydrophobicContact CG-CB 4.5Å
502	S	81.5	Confident	85.3	Confident	44 Å²	44	63.8 Å²	63.8	31%	0.308	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.4	165	-72.3	0	0	0	0	109.8	F504 L513	S502-F504 VanDerWaalsContact CB-CE2 3.49Å; S502-F504 VanDerWaalsContact O-CD2 3.28Å; S502-F504 WeakPolarHBondContact O-CD2 3.2Å; S502-F504 WeakPolarHBondContact O-CE2 3.01Å; S502-L513 PolarHBondContact N-O 2.85Å; S502-L513 PolarHBondContact O-N 2.04Å
503	C	85.4	Confident	85.1	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.02	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	126	168.1	-170.7	0	0	0	0	108.6	C490 R533	C490-C503 WeakPolarHBondContact CA-SG 3.08Å; C490-C503 HydrophobicContact CB-CB 3.79Å; C490-C503 WeakPolarHBondContact CB-SG 3.3Å; C490-C503 WeakPolarHBondContact SG-CB 3.03Å; C490-C503 CovalentContact SG-SG 2.04Å; C490-C503 PolarHBondContact SG-SG 3.49Å; C503-R533 PolarHBondContact O-NH1 2.57Å; C503-R533 VanDerWaalsContact O-NH1 3.08Å
504	F	84.8	Confident	85.1	Confident	19 Å²	19	62.8 Å²	62.8	8%	0.083	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.5	170.6	-63.2	-86.7	0	0	0	108.3	C490 S502 Y510 R511 L513 F515 F562	C490-F504 PolarHBondContact SG-N 2.04Å; C490-F504 VanDerWaalsContact SG-N 3.44Å; S502-F504 VanDerWaalsContact CB-CE2 3.49Å; S502-F504 VanDerWaalsContact O-CD2 3.28Å; S502-F504 WeakPolarHBondContact O-CD2 3.2Å; S502-F504 WeakPolarHBondContact O-CE2 3.01Å; F504-Y510 CarbonylContact O-C 3.57Å; F504-Y510 WeakPolarHBondContact O-CA 3.38Å; F504-R511 PolarHBondContact N-O 2.95Å; F504-R511 PolarHBondContact O-N 2.67Å; F504-L513 HydrophobicContact CD2-CB 4.05Å; F504-L513 HydrophobicContact CD2-CD1 3.93Å; F504-L513 HydrophobicContact CD2-CG 4.25Å; F504-L513 HydrophobicContact CE2-CB 3.96Å; F504-L513 HydrophobicContact CE2-CD1 4.36Å; F504-F515 HydrophobicContact CE2-CE2 4.35Å; F504-F562 HydrophobicContact CD1-CB 4.33Å; F504-F562 HydrophobicContact CD1-CD1 4.41Å; F504-F562 AromaticContact CD1-CD2 3.71Å; F504-F562 HydrophobicContact CD1-CD2 3.71Å; F504-F562 HydrophobicContact CD1-CE2 4.24Å; F504-F562 AromaticContact CD1-CG 3.85Å; F504-F562 HydrophobicContact CD1-CG 3.85Å; F504-F562 AromaticContact CE1-CD2 3.36Å; F504-F562 HydrophobicContact CE1-CD2 3.36Å; F504-F562 AromaticContact CE1-CE2 3.52Å; F504-F562 HydrophobicContact CE1-CE2 3.52Å; F504-F562 AromaticContact CE1-CG 3.97Å; F504-F562 HydrophobicContact CE1-CG 3.97Å; F504-F562 HydrophobicContact CE1-CZ 4.21Å; F504-F562 HydrophobicContact CE2-CE1 4.5Å; F504-F562 HydrophobicContact CE2-CE2 4.38Å; F504-F562 HydrophobicContact CE2-CZ 4.29Å; F504-F562 HydrophobicContact CG-CD1 4.5Å; F504-F562 HydrophobicContact CG-CG 4.34Å; F504-F562 AromaticContact CZ-CD2 3.93Å; F504-F562 HydrophobicContact CZ-CD2 3.93Å; F504-F562 HydrophobicContact CZ-CE1 4.47Å; F504-F562 AromaticContact CZ-CE2 3.59Å; F504-F562 HydrophobicContact CZ-CE2 3.59Å; F504-F562 AromaticContact CZ-CZ 3.92Å; F504-F562 HydrophobicContact CZ-CZ 3.92Å
505	N	85.9	Confident	84.6	Confident	50 Å²	50	59 Å²	59	27%	0.267	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	141.2	177.2	-168.3	48.8	0	0	0	110.3	D486 D488 C490 G509	D486-N505 PolarHBondContact OD2-ND2 3.33Å; D488-N505 WeakPolarHBondContact CA-OD1 3.38Å; C490-N505 PolarHBondContact SG-N 2.79Å; C490-N505 VanDerWaalsContact SG-N 3.45Å; N505-G509 PolarHBondContact OD1-O 3.19Å
506	I	87.1	Confident	84.3	Confident	15 Å²	15	63 Å²	63	8%	0.077	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	157.4	175.8	68	160.3	0	0	0	109.9	G508 G509 R511 F662	I506-G508 PolarHBondContact O-N 3.08Å; I506-G509 CarbonylContact C-O 3.52Å; I506-G509 WeakPolarHBondContact CA-O 3.32Å; I506-G509 WeakPolarHBondContact CG1-O 3.01Å; I506-G509 PolarHBondContact N-O 2.81Å; I506-G509 PolarHBondContact O-N 2.83Å; I506-R511 HydrophobicContact CD1-CG 4.1Å; I506-R511 HydrophobicContact CG2-CG 4.29Å; I506-F662 HydrophobicContact CB-CB 4.32Å; I506-F662 HydrophobicContact CD1-CB 4.21Å; I506-F662 HydrophobicContact CD1-CD1 4.32Å; I506-F662 HydrophobicContact CD1-CG 4.41Å; I506-F662 HydrophobicContact CG2-CB 4Å; I506-F662 HydrophobicContact CG2-CD1 4.47Å; I506-F662 HydrophobicContact CG2-CD2 3.83Å; I506-F662 HydrophobicContact CG2-CE2 4.46Å; I506-F662 HydrophobicContact CG2-CG 3.85Å
507	Q	87.4	Confident	83.9	Confident	50 Å²	50	58.9 Å²	58.9	23%	0.234	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	106.1	177.9	-74.1	-66.7	-19.9	0	0	111.1	Y475 D486 S564 S664	Y475-Q507 VanDerWaalsContact OH-C 3.26Å; Y475-Q507 PolarHBondContact OH-OE1 2.79Å; D486-Q507 WeakPolarHBondContact OD1-CA 3.23Å; Q507-S564 PolarHBondContact N-OG 3.45Å; Q507-S664 VanDerWaalsContact O-CB 3.31Å; Q507-S664 WeakPolarHBondContact O-CB 3.39Å; Q507-S664 PolarHBondContact O-OG 2.84Å
508	G	85.9	Confident	83.8	Confident	31 Å²	31	60.9 Å²	60.9	32%	0.32	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	19.5	-177.4	0	0	0	0	0	115.9	Y475 D486 I506	Y475-G508 PolarHBondContact OH-N 3.5Å; D486-G508 PolarHBondContact OD1-N 2.9Å; I506-G508 PolarHBondContact O-N 3.08Å
509	G	88.7	Confident	83.6	Confident	9 Å²	9	64.2 Å²	64.2	9%	0.093	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.1	-163.4	170.4	0	0	0	0	0	114.6	E489 N505 I506	E489-G509 WeakPolarHBondContact OE2-CA 3.46Å; N505-G509 PolarHBondContact OD1-O 3.19Å; I506-G509 CarbonylContact C-O 3.52Å; I506-G509 WeakPolarHBondContact CA-O 3.32Å; I506-G509 WeakPolarHBondContact CG1-O 3.01Å; I506-G509 PolarHBondContact N-O 2.81Å; I506-G509 PolarHBondContact O-N 2.83Å
510	Y	88.8	Confident	83.9	Confident	54 Å²	54	56.8 Å²	56.8	21%	0.212	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	167	177.7	61.6	-83.4	0	0	0	113.8	E489 H495 T496 F504	E489-Y510 HydrophobicContact CB-CD1 3.56Å; E489-Y510 HydrophobicContact CB-CE1 4.22Å; E489-Y510 HydrophobicContact CB-CG 4.24Å; E489-Y510 HydrophobicContact CG-CD1 3.93Å; E489-Y510 HydrophobicContact CG-CE1 4.41Å; E489-Y510 WeakPolarHBondContact OE2-CD1 3.13Å; E489-Y510 PolarHBondContact OE2-N 2.83Å; H495-Y510 HydrophobicContact CB-CD1 4.34Å; H495-Y510 HydrophobicContact CB-CD2 3.88Å; H495-Y510 HydrophobicContact CB-CE1 4.33Å; H495-Y510 HydrophobicContact CB-CE2 3.88Å; H495-Y510 HydrophobicContact CB-CG 4.13Å; T496-Y510 WeakPolarHBondContact CG2-OH 3.46Å; T496-Y510 PolarHBondContact N-OH 2.87Å; T496-Y510 VanDerWaalsContact N-OH 3.12Å; T496-Y510 PolarHBondContact OG1-OH 3.2Å; F504-Y510 CarbonylContact O-C 3.57Å; F504-Y510 WeakPolarHBondContact O-CA 3.38Å
511	R	87.3	Confident	84.2	Confident	96 Å²	96	51.2 Å²	51.2	36%	0.362	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.6	168	-69.4	-68.2	-179	-82.5	-1.2	110.7	F504 I506 L513 E636 F662	F504-R511 PolarHBondContact N-O 2.95Å; F504-R511 PolarHBondContact O-N 2.67Å; I506-R511 HydrophobicContact CD1-CG 4.1Å; I506-R511 HydrophobicContact CG2-CG 4.29Å; R511-L513 HydrophobicContact CB-CD1 4.21Å; R511-L513 HydrophobicContact CB-CG 4.16Å; R511-E636 IonicContact NE-OE2 3.68Å; R511-F662 HydrophobicContact CG-CD1 4.18Å; R511-F662 HydrophobicContact CG-CE1 3.71Å; R511-F662 HydrophobicContact CG-CZ 4.08Å
512	C	87.3	Confident	84.4	Confident	31 Å²	31	56 Å²	56	21%	0.209	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.8	171.5	-52	0	0	0	0	108.1	C497 E501	C497-C512 WeakPolarHBondContact CA-SG 3.5Å; C497-C512 HydrophobicContact CB-CB 3.61Å; C497-C512 WeakPolarHBondContact CB-SG 3.29Å; C497-C512 PolarHBondContact N-SG 3.18Å; C497-C512 WeakPolarHBondContact SG-CA 3.4Å; C497-C512 WeakPolarHBondContact SG-CB 3.31Å; C497-C512 CovalentContact SG-SG 2.03Å; C497-C512 PolarHBondContact SG-SG 2.98Å; E501-C512 HydrophobicContact CB-CB 4.19Å; E501-C512 HydrophobicContact CG-CB 4.5Å
513	L	82.8	Confident	84.4	Confident	38 Å²	38	59.9 Å²	59.9	20%	0.199	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.3	-175.6	-57.3	169.6	0	0	0	111.1	S502 F504 R511 F515 F562 F662	S502-L513 PolarHBondContact N-O 2.85Å; S502-L513 PolarHBondContact O-N 2.04Å; F504-L513 HydrophobicContact CD2-CB 4.05Å; F504-L513 HydrophobicContact CD2-CD1 3.93Å; F504-L513 HydrophobicContact CD2-CG 4.25Å; F504-L513 HydrophobicContact CE2-CB 3.96Å; F504-L513 HydrophobicContact CE2-CD1 4.36Å; R511-L513 HydrophobicContact CB-CD1 4.21Å; R511-L513 HydrophobicContact CB-CG 4.16Å; L513-F515 HydrophobicContact CB-CD2 4.15Å; L513-F515 HydrophobicContact CB-CE2 3.39Å; L513-F515 HydrophobicContact CB-CZ 3.98Å; L513-F515 HydrophobicContact CD1-CE2 3.94Å; L513-F515 HydrophobicContact CD1-CZ 4.07Å; L513-F515 HydrophobicContact CG-CE2 4.24Å; L513-F515 HydrophobicContact CG-CZ 4.49Å; L513-F562 HydrophobicContact CD1-CD1 4.1Å; L513-F562 HydrophobicContact CD1-CE1 3.76Å; L513-F662 HydrophobicContact CD1-CZ 4.19Å
514	S	81.5	Confident	83.8	Confident	71 Å²	71	63.1 Å²	63.1	50%	0.497	32%	0.323	S	S	.	.			trans	-101.1	136.7	169.5	54.1	0	0	0	0	110
515	F	75.4	Confident	82.7	Confident	36 Å²	36	65.3 Å²	65.3	16%	0.158	35%	0.351	C	S	.	.			trans	-133.4	103.2	-176.9	-73.8	-73.9	0	0	0	112.2	F504 L513 R523 V537 H560 F562 H660	F504-F515 HydrophobicContact CE2-CE2 4.35Å; L513-F515 HydrophobicContact CB-CD2 4.15Å; L513-F515 HydrophobicContact CB-CE2 3.39Å; L513-F515 HydrophobicContact CB-CZ 3.98Å; L513-F515 HydrophobicContact CD1-CE2 3.94Å; L513-F515 HydrophobicContact CD1-CZ 4.07Å; L513-F515 HydrophobicContact CG-CE2 4.24Å; L513-F515 HydrophobicContact CG-CZ 4.49Å; F515-R523 PolarHBondContact O-NH2 2.99Å; F515-V537 HydrophobicContact CB-CG1 4.39Å; F515-H560 AromaticContact CE1-ND1 3.97Å; F515-F562 AromaticContact CD2-CZ 3.88Å; F515-F562 HydrophobicContact CD2-CZ 3.88Å; F515-F562 AromaticContact CE2-CE1 3.45Å; F515-F562 HydrophobicContact CE2-CE1 3.45Å; F515-F562 VanDerWaalsContact CE2-CE1 3.45Å; F515-F562 HydrophobicContact CE2-CE2 4.4Å; F515-F562 AromaticContact CE2-CZ 3.21Å; F515-F562 HydrophobicContact CE2-CZ 3.21Å; F515-F562 AromaticContact CZ-CE1 3.58Å; F515-F562 HydrophobicContact CZ-CE1 3.58Å; F515-F562 AromaticContact CZ-CZ 3.65Å; F515-F562 HydrophobicContact CZ-CZ 3.65Å; F515-H660 AromaticContact CE1-CE1 3.66Å; F515-H660 AromaticContact CE1-NE2 3.37Å; F515-H660 WeakPolarHBondContact CE1-NE2 3.29Å; F515-H660 AromaticContact CZ-CE1 3.64Å; F515-H660 AromaticContact CZ-NE2 3.3Å; F515-H660 VanDerWaalsContact CZ-NE2 3.3Å; F515-H660 WeakPolarHBondContact CZ-NE2 3.49Å
516	D	79.1	Confident	81.1	Confident	149 Å²	149	71.4 Å²	71.4	80%	0.797	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-86.5	142.4	169.6	-68.9	-51.7	0	0	0	111.4
517	C	82.1	Confident	78.7	Confident	30 Å²	30	76.3 Å²	76.3	20%	0.203	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-72.5	142.6	173.5	-70.4	0	0	0	0	110.2	Y521 R523 C539	C517-Y521 WeakPolarHBondContact CB-O 3.06Å; C517-R523 VanDerWaalsContact SG-CA 3.6Å; C517-R523 PolarHBondContact SG-N 3.45Å; C517-R523 VanDerWaalsContact SG-N 3.43Å; C517-C539 WeakPolarHBondContact CA-SG 3.26Å; C517-C539 HydrophobicContact CB-CB 3.76Å; C517-C539 WeakPolarHBondContact CB-SG 3.38Å; C517-C539 WeakPolarHBondContact SG-CB 3.37Å; C517-C539 CovalentContact SG-SG 2.04Å; C517-C539 PolarHBondContact SG-SG 3.4Å
518	P	84.1	Confident	76.1	Confident	61 Å²	61	79.4 Å²	79.4	40%	0.396	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-56.6	156.2	175.5	-25.4	34.4	0	0	0	113	N520 Y521	P518-N520 PolarHBondContact O-N 3.5Å; P518-Y521 HydrophobicContact CB-CD2 3.98Å; P518-Y521 WeakPolarHBondContact O-CB 3.39Å; P518-Y521 PolarHBondContact O-N 3.03Å
519	N	81.9	Confident	73.9	Confident	152 Å²	152	84.5 Å²	84.5	81%	0.813	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	135.8	175.3	-71.5	-29.5	0	0	0	111.4	Y521	N519-Y521 VanDerWaalsContact C-N 3.3Å; N519-Y521 WeakPolarHBondContact O-CD2 3.4Å; N519-Y521 PolarHBondContact O-N 3.3Å
520	N	84.7	Confident	71.2	Confident	45 Å²	45	89 Å²	89	24%	0.241	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	16.4	-169.8	-59.5	-62.6	0	0	0	116.7	P518 S542 D547 C550	P518-N520 PolarHBondContact O-N 3.5Å; N520-S542 CarbonylContact O-C 3.49Å; N520-S542 VanDerWaalsContact O-C 3.28Å; N520-S542 WeakPolarHBondContact O-CA 3.05Å; N520-S542 PolarHBondContact O-N 3.32Å; N520-D547 PolarHBondContact ND2-OD2 3.04Å; N520-C550 HydrophobicContact CB-CB 4.22Å; N520-C550 WeakPolarHBondContact CB-SG 3.13Å
521	Y	85.4	Confident	68.8	Low	32 Å²	32	95 Å²	95	13%	0.125	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.8	167.6	-66.9	-108.5	0	0	0	110.5	C517 P518 N519 C539 I540 K541 D553 T555 V558	C517-Y521 WeakPolarHBondContact CB-O 3.06Å; P518-Y521 HydrophobicContact CB-CD2 3.98Å; P518-Y521 WeakPolarHBondContact O-CB 3.39Å; P518-Y521 PolarHBondContact O-N 3.03Å; N519-Y521 VanDerWaalsContact C-N 3.3Å; N519-Y521 WeakPolarHBondContact O-CD2 3.4Å; N519-Y521 PolarHBondContact O-N 3.3Å; Y521-C539 HydrophobicContact CD1-CB 4.49Å; Y521-I540 WeakPolarHBondContact CA-O 3.41Å; Y521-K541 HydrophobicContact CD1-CB 4.23Å; Y521-K541 HydrophobicContact CE1-CB 3.93Å; Y521-D553 PolarHBondContact OH-OD2 2.78Å; Y521-T555 HydrophobicContact CE1-CG2 4.47Å; Y521-T555 VanDerWaalsContact OH-CB 3.27Å; Y521-T555 WeakPolarHBondContact OH-CB 3.29Å; Y521-T555 WeakPolarHBondContact OH-CG2 3.43Å; Y521-T555 PolarHBondContact OH-O 2.65Å; Y521-V558 HydrophobicContact CD1-CG2 4.34Å; Y521-V558 HydrophobicContact CE1-CG2 3.95Å
522	R	84.9	Confident	66.4	Low	160 Å²	160	99.3 Å²	99.3	60%	0.604	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	140	175.2	68.3	-176.9	179.9	157.2	1.1	110.9	C539 I540	R522-C539 CarbonylContact O-C 3.56Å; R522-C539 WeakPolarHBondContact O-CA 3.36Å; R522-I540 PolarHBondContact N-O 3.35Å; R522-I540 PolarHBondContact O-N 3.25Å
523	R	81.2	Confident	64.6	Low	126 Å²	126	103.9 Å²	103.9	48%	0.475	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66	143.6	171.2	-164.1	-174.9	-77.4	-171.6	0.6	109.5	F515 C517 V537 R538	F515-R523 PolarHBondContact O-NH2 2.99Å; C517-R523 VanDerWaalsContact SG-CA 3.6Å; C517-R523 PolarHBondContact SG-N 3.45Å; C517-R523 VanDerWaalsContact SG-N 3.43Å; R523-V537 HydrophobicContact CG-CG1 4.45Å; R523-R538 WeakPolarHBondContact CA-O 3.42Å
524	V	74.4	Confident	63.1	Low	70 Å²	70	106 Å²	106	42%	0.424	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.5	140.4	176.3	177.1	0	0	0	0	109.2	R538 I540	V524-R538 PolarHBondContact N-O 3Å; V524-I540 HydrophobicContact CB-CD1 4.45Å; V524-I540 HydrophobicContact CB-CG1 4.49Å; V524-I540 HydrophobicContact CG2-CB 4.02Å; V524-I540 HydrophobicContact CG2-CD1 3.87Å; V524-I540 HydrophobicContact CG2-CG1 3.77Å
525	G	61.1	Low	62.1	Low	65 Å²	65	107.6 Å²	107.6	67%	0.67	58%	0.578	S	S	*	*			trans	115.3	-2	177.4	0	0	0	0	0	116.1	T527	G525-T527 VanDerWaalsContact C-N 3.33Å; G525-T527 PolarHBondContact O-N 3.16Å
526	Q	51.9	Low	61.9	Low	179 Å²	179	109.2 Å²	109.2	84%	0.836	59%	0.591	S	S	*	*			trans	-81.5	75.2	-178.2	-161.8	171.4	20.9	0	0	112.6
527	T	36.3	Very low	61.9	Low	117 Å²	117	103.1 Å²	103.1	72%	0.718	56%	0.559	S	S	*	*			trans	-128.9	126.8	169.7	44.5	0	0	0	0	110.4	G525	G525-T527 VanDerWaalsContact C-N 3.33Å; G525-T527 PolarHBondContact O-N 3.16Å
528	T	34.5	Very low	62	Low	116 Å²	116	107.5 Å²	107.5	71%	0.712	57%	0.571	S	S	*	*			trans	62	131.6	-180	38.8	0	0	0	0	117.7	T530	T528-T530 PolarHBondContact O-N 2.99Å
529	P	37.8	Very low	62.2	Low	138 Å²	138	104.7 Å²	104.7	90%	0.896	55%	0.553	S	S	*	*			trans	-86.1	52.6	-178.8	37.7	-37.3	0	0	0	112.2
530	T	32.4	Very low	62.5	Low	104 Å²	104	100 Å²	100	64%	0.638	53%	0.527	S	S	*	.	S	Bend	trans	-120.5	78	-174.7	47.7	0	0	0	0	112.1	T528 E532	T528-T530 PolarHBondContact O-N 2.99Å; T530-E532 VanDerWaalsContact C-N 3.29Å; T530-E532 PolarHBondContact O-N 2.87Å
531	L	38	Very low	62.6	Low	180 Å²	180	99.8 Å²	99.8	94%	0.942	52%	0.524	S	S	*	.	S	Bend	trans	44.2	21.3	148	-142.7	76.1	0	0	0	121.4
532	E	36.9	Very low	62.7	Low	186 Å²	186	100.7 Å²	100.7	87%	0.869	54%	0.535	S	S	*	.			trans	-107.4	88.9	158.8	-71.8	-169.8	172	0	0	109.1	T530 S534	T530-E532 VanDerWaalsContact C-N 3.29Å; T530-E532 PolarHBondContact O-N 2.87Å; E532-S534 VanDerWaalsContact C-N 3.34Å; E532-S534 PolarHBondContact O-N 3.42Å
533	R	50.6	Low	62.8	Low	127 Å²	127	94.9 Å²	94.9	48%	0.479	52%	0.518	S	S	.	.			trans	-74.9	83.1	-178.4	-169.3	-170.2	-141.2	151	11	109.4	C503 D535	C503-R533 PolarHBondContact O-NH1 2.57Å; C503-R533 VanDerWaalsContact O-NH1 3.08Å; R533-D535 PolarHBondContact O-N 3.3Å
534	S	51.8	Low	62.8	Low	83 Å²	83	94.9 Å²	94.9	58%	0.58	52%	0.524	S	S	*	.			trans	-56.5	121.6	-176	61.7	0	0	0	0	112.8	E532 T536	E532-S534 VanDerWaalsContact C-N 3.34Å; E532-S534 PolarHBondContact O-N 3.42Å; S534-T536 PolarHBondContact O-N 3.42Å
535	D	60.8	Low	62.9	Low	104 Å²	104	97.3 Å²	97.3	56%	0.556	54%	0.541	S	S	*	.	S	Bend	trans	-67.8	13.9	-179.2	-47.2	-74.9	0	0	0	114.7	R533 F562	R533-D535 PolarHBondContact O-N 3.3Å; D535-F562 WeakPolarHBondContact O-CD2 3.46Å
536	T	70.4	Confident	63.8	Low	70 Å²	70	101.5 Å²	101.5	43%	0.429	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.2	176.9	62.6	0	0	0	0	111	S534 H560 T561	S534-T536 PolarHBondContact O-N 3.42Å; T536-H560 CarbonylContact C-O 3.6Å; T536-H560 WeakPolarHBondContact CA-O 3.36Å; T536-T561 HydrophobicContact CG2-CG2 3.86Å
537	V	78.7	Confident	65.3	Low	20 Å²	20	95.2 Å²	95.2	12%	0.121	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	109.5	171.6	-178.8	0	0	0	0	107.9	F515 R523 A559 H560	F515-V537 HydrophobicContact CB-CG1 4.39Å; R523-V537 HydrophobicContact CG-CG1 4.45Å; V537-A559 CarbonylContact O-C 3.56Å; V537-A559 WeakPolarHBondContact O-CA 3.36Å; V537-H560 HydrophobicContact CB-CB 4.45Å; V537-H560 PolarHBondContact N-O 3.19Å; V537-H560 PolarHBondContact O-N 2.98Å
538	R	84.8	Confident	67.4	Low	122 Å²	122	95.6 Å²	95.6	46%	0.46	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.2	-178.3	-165.2	174.2	-173	177.7	2.9	112.6	R523 V524 I540 S557	R523-R538 WeakPolarHBondContact CA-O 3.42Å; V524-R538 PolarHBondContact N-O 3Å; R538-I540 HydrophobicContact CG-CG1 4.33Å; R538-S557 PolarHBondContact NH2-OG 2.77Å
539	C	87.9	Confident	69.8	Low	2 Å²	2	93.8 Å²	93.8	1%	0.014	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.2	174.2	-59.7	0	0	0	0	109.4	C517 Y521 R522 S557 V558	C517-C539 WeakPolarHBondContact CA-SG 3.26Å; C517-C539 HydrophobicContact CB-CB 3.76Å; C517-C539 WeakPolarHBondContact CB-SG 3.38Å; C517-C539 WeakPolarHBondContact SG-CB 3.37Å; C517-C539 CovalentContact SG-SG 2.04Å; C517-C539 PolarHBondContact SG-SG 3.4Å; Y521-C539 HydrophobicContact CD1-CB 4.49Å; R522-C539 CarbonylContact O-C 3.56Å; R522-C539 WeakPolarHBondContact O-CA 3.36Å; C539-S557 CarbonylContact O-C 3.28Å; C539-S557 VanDerWaalsContact O-CA 3.28Å; C539-S557 WeakPolarHBondContact O-CA 3.37Å; C539-S557 WeakPolarHBondContact O-CB 3.22Å; C539-V558 WeakPolarHBondContact CA-O 3.02Å; C539-V558 HydrophobicContact CB-CB 4.49Å; C539-V558 WeakPolarHBondContact CB-O 3.05Å; C539-V558 PolarHBondContact N-O 2.9Å; C539-V558 PolarHBondContact O-N 3.42Å; C539-V558 VanDerWaalsContact O-O 3.09Å
540	I	87.3	Confident	72	Confident	55 Å²	55	87.7 Å²	87.7	28%	0.282	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.7	177.6	-59.6	-167.5	0	0	0	109.7	Y521 R522 V524 R538 S542	Y521-I540 WeakPolarHBondContact CA-O 3.41Å; R522-I540 PolarHBondContact N-O 3.35Å; R522-I540 PolarHBondContact O-N 3.25Å; V524-I540 HydrophobicContact CB-CD1 4.45Å; V524-I540 HydrophobicContact CB-CG1 4.49Å; V524-I540 HydrophobicContact CG2-CB 4.02Å; V524-I540 HydrophobicContact CG2-CD1 3.87Å; V524-I540 HydrophobicContact CG2-CG1 3.77Å; R538-I540 HydrophobicContact CG-CG1 4.33Å; I540-S542 PolarHBondContact O-N 2.81Å
541	K	88.2	Confident	74.3	Confident	40 Å²	40	87 Å²	87	17%	0.174	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	134.2	178.2	-175.6	-176.7	-174.4	173.2	0	111.4	Y521 C543 C550 V551 D553 T555 L556	Y521-K541 HydrophobicContact CD1-CB 4.23Å; Y521-K541 HydrophobicContact CE1-CB 3.93Å; K541-C543 WeakPolarHBondContact CE-SG 3.4Å; K541-C550 WeakPolarHBondContact CE-O 3.08Å; K541-C550 PolarHBondContact NZ-O 2.04Å; K541-V551 PolarHBondContact NZ-O 3.36Å; K541-D553 PolarHBondContact NZ-O 3.01Å; K541-T555 WeakPolarHBondContact CD-O 3.07Å; K541-L556 VanDerWaalsContact CB-O 3.29Å; K541-L556 WeakPolarHBondContact CB-O 3.33Å; K541-L556 HydrophobicContact CD-CD2 4.42Å; K541-L556 PolarHBondContact N-O 2.04Å
542	S	87.8	Confident	76.5	Confident	51 Å²	51	85 Å²	85	36%	0.357	46%	0.459	S	S	.	.			trans	-154.5	63.8	-171.9	-177.4	0	0	0	0	110.1	N520 I540	N520-S542 CarbonylContact O-C 3.49Å; N520-S542 VanDerWaalsContact O-C 3.28Å; N520-S542 WeakPolarHBondContact O-CA 3.05Å; N520-S542 PolarHBondContact O-N 3.32Å; I540-S542 PolarHBondContact O-N 2.81Å
543	C	85.4	Confident	78.7	Confident	37 Å²	37	78.5 Å²	78.5	25%	0.25	43%	0.43	C	S	.	.			trans	-59.7	147.1	-178.2	-54.1	0	0	0	0	113.4	K541 C550 V551	K541-C543 WeakPolarHBondContact CE-SG 3.4Å; C543-C550 WeakPolarHBondContact CA-SG 3.02Å; C543-C550 HydrophobicContact CB-CB 3.73Å; C543-C550 WeakPolarHBondContact CB-SG 3.42Å; C543-C550 WeakPolarHBondContact SG-CB 3.36Å; C543-C550 CovalentContact SG-SG 2.04Å; C543-C550 PolarHBondContact SG-SG 3.44Å; C543-V551 HydrophobicContact CB-CG2 4.14Å; C543-V551 PolarHBondContact SG-N 3.28Å
544	Q	82.6	Confident	80.3	Confident	127 Å²	127	76 Å²	76	59%	0.593	43%	0.43	S	S	*	.			trans	-68.5	149.9	162.8	-64.5	-62.1	-21.7	0	0	110.9	N546 D547	Q544-N546 PolarHBondContact O-N 2.84Å; Q544-D547 HydrophobicContact CB-CB 4.38Å; Q544-D547 PolarHBondContact O-N 3.26Å
545	P	75.6	Confident	82	Confident	121 Å²	121	72.7 Å²	72.7	79%	0.786	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.5	-173.6	-28.1	35.8	0	0	0	116
546	N	79.3	Confident	83.3	Confident	152 Å²	152	71.5 Å²	71.5	81%	0.813	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-1.9	-178.7	-65.5	-3.1	0	0	0	113.5	Q544 I548	Q544-N546 PolarHBondContact O-N 2.84Å; N546-I548 PolarHBondContact O-N 3.35Å; N546-I548 VanDerWaalsContact O-N 3.12Å
547	D	83.9	Confident	84.2	Confident	47 Å²	47	68.4 Å²	68.4	25%	0.251	38%	0.381	S	S	.	.			trans	-87.3	82.5	-176.9	-166.6	-19.7	0	0	0	111.3	N520 Q544 A549 C550 V551	N520-D547 PolarHBondContact ND2-OD2 3.04Å; Q544-D547 HydrophobicContact CB-CB 4.38Å; Q544-D547 PolarHBondContact O-N 3.26Å; D547-A549 VanDerWaalsContact C-N 3.26Å; D547-A549 PolarHBondContact O-N 2.61Å; D547-A549 PolarHBondContact OD1-N 2.87Å; D547-C550 HydrophobicContact CB-CB 3.89Å; D547-C550 PolarHBondContact O-N 3.25Å; D547-C550 WeakPolarHBondContact OD1-CB 3.14Å; D547-C550 PolarHBondContact OD1-N 3.01Å; D547-V551 WeakPolarHBondContact O-CG2 3.31Å; D547-V551 PolarHBondContact O-N 2.93Å
548	I	81.5	Confident	84.7	Confident	125 Å²	125	68.1 Å²	68.1	64%	0.641	38%	0.379	S	S	*	.	H	α-helix	trans	-61.3	-35.5	178.8	-57.7	172	0	0	0	111.1	N546 V551 L552	N546-I548 PolarHBondContact O-N 3.35Å; N546-I548 VanDerWaalsContact O-N 3.12Å; I548-V551 PolarHBondContact O-N 2.89Å; I548-L552 HydrophobicContact CG2-CD1 3.91Å; I548-L552 HydrophobicContact CG2-CG 4.37Å; I548-L552 WeakPolarHBondContact O-CG 3.49Å; I548-L552 PolarHBondContact O-N 2.82Å
549	A	83.4	Confident	84.8	Confident	78 Å²	78	62.9 Å²	62.9	65%	0.645	36%	0.362	S	S	*	.	H	α-helix	trans	-66.4	-43.6	178.9	0	0	0	0	0	111	D547 L552 D553	D547-A549 VanDerWaalsContact C-N 3.26Å; D547-A549 PolarHBondContact O-N 2.61Å; D547-A549 PolarHBondContact OD1-N 2.87Å; A549-L552 PolarHBondContact O-N 2.9Å; A549-D553 PolarHBondContact O-N 2.04Å
550	C	83.8	Confident	84.7	Confident	10 Å²	10	64.2 Å²	64.2	7%	0.068	37%	0.368	C	S	.	.	H	α-helix	trans	-59.3	-49.9	169.8	179.9	0	0	0	0	111.2	N520 K541 C543 D547 L552 D553	N520-C550 HydrophobicContact CB-CB 4.22Å; N520-C550 WeakPolarHBondContact CB-SG 3.13Å; K541-C550 WeakPolarHBondContact CE-O 3.08Å; K541-C550 PolarHBondContact NZ-O 2.04Å; C543-C550 WeakPolarHBondContact CA-SG 3.02Å; C543-C550 HydrophobicContact CB-CB 3.73Å; C543-C550 WeakPolarHBondContact CB-SG 3.42Å; C543-C550 WeakPolarHBondContact SG-CB 3.36Å; C543-C550 CovalentContact SG-SG 2.04Å; C543-C550 PolarHBondContact SG-SG 3.44Å; D547-C550 HydrophobicContact CB-CB 3.89Å; D547-C550 PolarHBondContact O-N 3.25Å; D547-C550 WeakPolarHBondContact OD1-CB 3.14Å; D547-C550 PolarHBondContact OD1-N 3.01Å; C550-L552 PolarHBondContact O-N 3.13Å; C550-D553 WeakPolarHBondContact O-CB 3.38Å; C550-D553 PolarHBondContact O-N 2.92Å; C550-D553 VanDerWaalsContact O-N 3.09Å
551	V	81.9	Confident	84.6	Confident	91 Å²	91	62.5 Å²	62.5	55%	0.552	36%	0.36	S	S	*	.	H	α-helix	trans	-56.3	-39.4	-177.3	171.3	0	0	0	0	111.7	K541 C543 D547 I548	K541-V551 PolarHBondContact NZ-O 3.36Å; C543-V551 HydrophobicContact CB-CG2 4.14Å; C543-V551 PolarHBondContact SG-N 3.28Å; D547-V551 WeakPolarHBondContact O-CG2 3.31Å; D547-V551 PolarHBondContact O-N 2.93Å; I548-V551 PolarHBondContact O-N 2.89Å
552	L	83.1	Confident	84.3	Confident	136 Å²	136	61.7 Å²	61.7	71%	0.712	36%	0.357	S	S	*	.	H	α-helix	trans	-77	-14.6	180	-66.8	172.7	0	0	0	115.7	I548 A549 C550 P554	I548-L552 HydrophobicContact CG2-CD1 3.91Å; I548-L552 HydrophobicContact CG2-CG 4.37Å; I548-L552 WeakPolarHBondContact O-CG 3.49Å; I548-L552 PolarHBondContact O-N 2.82Å; A549-L552 PolarHBondContact O-N 2.9Å; C550-L552 PolarHBondContact O-N 3.13Å; L552-P554 WeakPolarHBondContact O-CD 3.2Å
553	D	83.5	Confident	84.2	Confident	51 Å²	51	62.3 Å²	62.3	27%	0.273	35%	0.353	S	S	.	.			trans	-60.6	121.1	174.9	176.9	7.2	0	0	0	111	Y521 K541 A549 C550 T555	Y521-D553 PolarHBondContact OH-OD2 2.78Å; K541-D553 PolarHBondContact NZ-O 3.01Å; A549-D553 PolarHBondContact O-N 2.04Å; C550-D553 WeakPolarHBondContact O-CB 3.38Å; C550-D553 PolarHBondContact O-N 2.92Å; C550-D553 VanDerWaalsContact O-N 3.09Å; D553-T555 PolarHBondContact O-N 3.08Å; D553-T555 VanDerWaalsContact O-N 3.15Å; D553-T555 WeakPolarHBondContact OD1-CB 3.45Å; D553-T555 PolarHBondContact OD1-N 3.12Å; D553-T555 PolarHBondContact OD1-OG1 3.29Å
554	P	84.4	Confident	84.2	Confident	74 Å²	74	62.2 Å²	62.2	48%	0.481	35%	0.353	S	S	.	.			trans	-66.1	-13.7	177.6	28.1	-35.6	0	0	0	113.4	L552 L556 G653 Q654	L552-P554 WeakPolarHBondContact O-CD 3.2Å; P554-L556 PolarHBondContact O-N 3.04Å; P554-G653 CarbonylContact O-C 3.54Å; P554-G653 WeakPolarHBondContact O-CA 3.39Å; P554-Q654 PolarHBondContact O-N 3.36Å
555	T	87.9	Confident	84.4	Confident	14 Å²	14	57.3 Å²	57.3	9%	0.086	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	108.2	-177.1	-46.5	0	0	0	0	111.3	Y521 K541 D553 V558 Q654 I656	Y521-T555 HydrophobicContact CE1-CG2 4.47Å; Y521-T555 VanDerWaalsContact OH-CB 3.27Å; Y521-T555 WeakPolarHBondContact OH-CB 3.29Å; Y521-T555 WeakPolarHBondContact OH-CG2 3.43Å; Y521-T555 PolarHBondContact OH-O 2.65Å; K541-T555 WeakPolarHBondContact CD-O 3.07Å; D553-T555 PolarHBondContact O-N 3.08Å; D553-T555 VanDerWaalsContact O-N 3.15Å; D553-T555 WeakPolarHBondContact OD1-CB 3.45Å; D553-T555 PolarHBondContact OD1-N 3.12Å; D553-T555 PolarHBondContact OD1-OG1 3.29Å; T555-V558 HydrophobicContact CG2-CG2 4.04Å; T555-Q654 CarbonylContact C-O 3.29Å; T555-Q654 WeakPolarHBondContact CA-O 3.49Å; T555-I656 HydrophobicContact CG2-CD1 3.85Å; T555-I656 HydrophobicContact CG2-CG1 4.01Å
556	L	87.3	Confident	84.9	Confident	78 Å²	78	53.2 Å²	53.2	41%	0.408	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-31.2	-178	-60.7	-179.8	0	0	0	113.3	K541 P554 Q654	K541-L556 VanDerWaalsContact CB-O 3.29Å; K541-L556 WeakPolarHBondContact CB-O 3.33Å; K541-L556 HydrophobicContact CD-CD2 4.42Å; K541-L556 PolarHBondContact N-O 2.04Å; P554-L556 PolarHBondContact O-N 3.04Å; L556-Q654 PolarHBondContact N-O 3.49Å
557	S	89.2	Confident	85.2	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	148.7	173.1	66.3	0	0	0	0	112.7	R538 C539 S655 I656	R538-S557 PolarHBondContact NH2-OG 2.77Å; C539-S557 CarbonylContact O-C 3.28Å; C539-S557 VanDerWaalsContact O-CA 3.28Å; C539-S557 WeakPolarHBondContact O-CA 3.37Å; C539-S557 WeakPolarHBondContact O-CB 3.22Å; S557-S655 CarbonylContact O-C 3.54Å; S557-S655 VanDerWaalsContact O-CA 3.25Å; S557-S655 WeakPolarHBondContact O-CA 3.25Å; S557-S655 PolarHBondContact OG-OG 2.61Å; S557-I656 PolarHBondContact O-N 2.83Å
558	V	89.1	Confident	84.6	Confident	13 Å²	13	47 Å²	47	8%	0.079	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.7	170.9	-177.4	0	0	0	0	107.4	Y521 C539 T555 I656	Y521-V558 HydrophobicContact CD1-CG2 4.34Å; Y521-V558 HydrophobicContact CE1-CG2 3.95Å; C539-V558 WeakPolarHBondContact CA-O 3.02Å; C539-V558 HydrophobicContact CB-CB 4.49Å; C539-V558 WeakPolarHBondContact CB-O 3.05Å; C539-V558 PolarHBondContact N-O 2.9Å; C539-V558 PolarHBondContact O-N 3.42Å; C539-V558 VanDerWaalsContact O-O 3.09Å; T555-V558 HydrophobicContact CG2-CG2 4.04Å; V558-I656 CarbonylContact C-O 3.48Å; V558-I656 WeakPolarHBondContact CA-O 3.47Å
559	A	88.1	Confident	83.9	Confident	13 Å²	13	52 Å²	52	11%	0.107	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	147.1	174.7	0	0	0	0	0	110.5	V537 I656 I657 N658	V537-A559 CarbonylContact O-C 3.56Å; V537-A559 WeakPolarHBondContact O-CA 3.36Å; A559-I656 PolarHBondContact N-O 3.45Å; A559-I657 HydrophobicContact CB-CG1 4.32Å; A559-I657 HydrophobicContact CB-CG2 4.32Å; A559-I657 WeakPolarHBondContact O-CA 3.45Å; A559-N658 PolarHBondContact O-N 3.2Å
560	H	85.9	Confident	83	Confident	30 Å²	30	56.7 Å²	56.7	14%	0.139	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.1	165.6	-65.8	-100.8	0	0	0	108.9	F515 T536 V537 F562 N658 H660	F515-H560 AromaticContact CE1-ND1 3.97Å; T536-H560 CarbonylContact C-O 3.6Å; T536-H560 WeakPolarHBondContact CA-O 3.36Å; V537-H560 HydrophobicContact CB-CB 4.45Å; V537-H560 PolarHBondContact N-O 3.19Å; V537-H560 PolarHBondContact O-N 2.98Å; H560-F562 HydrophobicContact CB-CZ 4.21Å; H560-N658 WeakPolarHBondContact CA-O 3.49Å; H560-N658 PolarHBondContact CE1-ND2 2.85Å; H560-N658 WeakPolarHBondContact ND1-CB 3.46Å; H560-N658 PolarHBondContact NE2-ND2 2.92Å; H560-H660 AromaticContact CG-NE2 3.91Å; H560-H660 AromaticContact ND1-CE1 3.94Å; H560-H660 AromaticContact ND1-NE2 3.2Å; H560-H660 PolarHBondContact ND1-NE2 2.78Å; H560-H660 VanDerWaalsContact ND1-NE2 3.2Å
561	T	84.3	Confident	82.2	Confident	18 Å²	18	58.6 Å²	58.6	11%	0.11	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	148.7	179.6	-51.9	0	0	0	0	109.1	T536 F563 N658 H660	T536-T561 HydrophobicContact CG2-CG2 3.86Å; T561-F563 HydrophobicContact CG2-CD2 4.11Å; T561-F563 HydrophobicContact CG2-CE2 3.47Å; T561-F563 VanDerWaalsContact CG2-CE2 3.47Å; T561-F563 HydrophobicContact CG2-CZ 4.22Å; T561-N658 PolarHBondContact N-O 2.76Å; T561-H660 PolarHBondContact O-N 2.95Å
562	F	83.1	Confident	81.9	Confident	23 Å²	23	60.6 Å²	60.6	10%	0.101	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.8	-176.4	-51	-85.4	0	0	0	110.5	F504 L513 F515 D535 H560 H660 F662	F504-F562 HydrophobicContact CD1-CB 4.33Å; F504-F562 HydrophobicContact CD1-CD1 4.41Å; F504-F562 AromaticContact CD1-CD2 3.71Å; F504-F562 HydrophobicContact CD1-CD2 3.71Å; F504-F562 HydrophobicContact CD1-CE2 4.24Å; F504-F562 AromaticContact CD1-CG 3.85Å; F504-F562 HydrophobicContact CD1-CG 3.85Å; F504-F562 AromaticContact CE1-CD2 3.36Å; F504-F562 HydrophobicContact CE1-CD2 3.36Å; F504-F562 AromaticContact CE1-CE2 3.52Å; F504-F562 HydrophobicContact CE1-CE2 3.52Å; F504-F562 AromaticContact CE1-CG 3.97Å; F504-F562 HydrophobicContact CE1-CG 3.97Å; F504-F562 HydrophobicContact CE1-CZ 4.21Å; F504-F562 HydrophobicContact CE2-CE1 4.5Å; F504-F562 HydrophobicContact CE2-CE2 4.38Å; F504-F562 HydrophobicContact CE2-CZ 4.29Å; F504-F562 HydrophobicContact CG-CD1 4.5Å; F504-F562 HydrophobicContact CG-CG 4.34Å; F504-F562 AromaticContact CZ-CD2 3.93Å; F504-F562 HydrophobicContact CZ-CD2 3.93Å; F504-F562 HydrophobicContact CZ-CE1 4.47Å; F504-F562 AromaticContact CZ-CE2 3.59Å; F504-F562 HydrophobicContact CZ-CE2 3.59Å; F504-F562 AromaticContact CZ-CZ 3.92Å; F504-F562 HydrophobicContact CZ-CZ 3.92Å; L513-F562 HydrophobicContact CD1-CD1 4.1Å; L513-F562 HydrophobicContact CD1-CE1 3.76Å; F515-F562 AromaticContact CD2-CZ 3.88Å; F515-F562 HydrophobicContact CD2-CZ 3.88Å; F515-F562 AromaticContact CE2-CE1 3.45Å; F515-F562 HydrophobicContact CE2-CE1 3.45Å; F515-F562 VanDerWaalsContact CE2-CE1 3.45Å; F515-F562 HydrophobicContact CE2-CE2 4.4Å; F515-F562 AromaticContact CE2-CZ 3.21Å; F515-F562 HydrophobicContact CE2-CZ 3.21Å; F515-F562 AromaticContact CZ-CE1 3.58Å; F515-F562 HydrophobicContact CZ-CE1 3.58Å; F515-F562 AromaticContact CZ-CZ 3.65Å; F515-F562 HydrophobicContact CZ-CZ 3.65Å; D535-F562 WeakPolarHBondContact O-CD2 3.46Å; H560-F562 HydrophobicContact CB-CZ 4.21Å; F562-H660 HydrophobicContact CD1-CB 3.79Å; F562-H660 AromaticContact CD1-CD2 3.65Å; F562-H660 AromaticContact CD1-CG 3.98Å; F562-H660 HydrophobicContact CE1-CB 4.11Å; F562-H660 AromaticContact CE1-CD2 3.12Å; F562-H660 WeakPolarHBondContact CE1-CD2 3.49Å; F562-H660 AromaticContact CE1-CG 3.77Å; F562-H660 AromaticContact CE1-NE2 3.6Å; F562-H660 AromaticContact CZ-CD2 3.68Å; F562-H660 AromaticContact CZ-NE2 3.97Å; F562-F662 HydrophobicContact CD1-CE2 4.36Å
563	F	84.1	Confident	81.9	Confident	64 Å²	64	63.4 Å²	63.4	28%	0.281	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.5	169.7	-72.3	-91.6	0	0	0	109.5	T561 I577 V578 V659 H660 I661 F662	T561-F563 HydrophobicContact CG2-CD2 4.11Å; T561-F563 HydrophobicContact CG2-CE2 3.47Å; T561-F563 VanDerWaalsContact CG2-CE2 3.47Å; T561-F563 HydrophobicContact CG2-CZ 4.22Å; F563-I577 WeakPolarHBondContact CE1-O 3.33Å; F563-I577 VanDerWaalsContact CZ-O 3.23Å; F563-I577 WeakPolarHBondContact CZ-O 3.42Å; F563-V578 HydrophobicContact CD2-CG2 4.21Å; F563-V578 HydrophobicContact CE2-CB 4.37Å; F563-V578 HydrophobicContact CE2-CG1 4.1Å; F563-V578 HydrophobicContact CE2-CG2 3.6Å; F563-V578 HydrophobicContact CZ-CB 4.4Å; F563-V578 HydrophobicContact CZ-CG1 4.26Å; F563-V578 HydrophobicContact CZ-CG2 3.91Å; F563-V659 HydrophobicContact CD2-CG1 3.49Å; F563-V659 VanDerWaalsContact CD2-CG1 3.49Å; F563-V659 HydrophobicContact CE2-CG1 3.86Å; F563-H660 PolarHBondContact N-O 3.28Å; F563-I661 WeakPolarHBondContact O-CA 3.22Å; F563-F662 PolarHBondContact O-N 3.33Å
564	S	86.3	Confident	82.1	Confident	36 Å²	36	64 Å²	64	25%	0.252	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139.6	163.1	-167.3	0	0	0	0	110.3	Q507 F662	Q507-S564 PolarHBondContact N-OG 3.45Å; S564-F662 CarbonylContact C-O 3.59Å; S564-F662 VanDerWaalsContact CA-O 3.26Å; S564-F662 WeakPolarHBondContact CA-O 3.27Å; S564-F662 PolarHBondContact OG-O 2.04Å
565	L	85.9	Confident	82.2	Confident	24 Å²	24	64.8 Å²	64.8	13%	0.126	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.1	-177.8	-59.7	174.9	0	0	0	109.4	I661 F662 V663 S664	L565-I661 HydrophobicContact CD1-CG2 3.82Å; L565-I661 HydrophobicContact CG-CG2 4.4Å; L565-F662 PolarHBondContact N-O 3.21Å; L565-V663 CarbonylContact O-C 3.49Å; L565-V663 VanDerWaalsContact O-CA 3.3Å; L565-V663 WeakPolarHBondContact O-CA 3.41Å; L565-S664 PolarHBondContact O-N 3.39Å
566	P	85.9	Confident	82.2	Confident	35 Å²	35	67.4 Å²	67.4	23%	0.227	33%	0.327	C	S	.	.			trans	-72.7	162.8	166	30.8	-33.6	0	0	0	111.7	L568 F666 W667	P566-L568 PolarHBondContact O-N 2.85Å; P566-L568 VanDerWaalsContact O-N 3.15Å; P566-F666 CarbonylContact C-O 3.59Å; P566-F666 WeakPolarHBondContact CA-O 3.44Å; P566-W667 WeakPolarHBondContact CB-O 3.32Å
567	T	85.7	Confident	82.1	Confident	19 Å²	19	64.5 Å²	64.5	12%	0.117	31%	0.312	C	S	.	.			trans	-66.2	106.2	166.5	-82.7	0	0	0	0	110	T632 G633 S664 F666 W667	T567-T632 HydrophobicContact CG2-CG2 4.02Å; T567-G633 PolarHBondContact OG1-N 2.86Å; T567-S664 PolarHBondContact OG1-O 2.91Å; T567-F666 PolarHBondContact N-O 3.35Å; T567-W667 VanDerWaalsContact O-CA 3.24Å; T567-W667 WeakPolarHBondContact O-CA 3.46Å; T567-W667 WeakPolarHBondContact O-CB 3.2Å
568	L	72.8	Confident	81.9	Confident	49 Å²	49	64.6 Å²	64.6	26%	0.257	31%	0.312	S	S	.	.			trans	-80.3	124.7	-179.1	-80.3	159.1	0	0	0	111.6	P566 F571 L627 P630	P566-L568 PolarHBondContact O-N 2.85Å; P566-L568 VanDerWaalsContact O-N 3.15Å; L568-F571 HydrophobicContact CD1-CE2 4.44Å; L568-L627 HydrophobicContact CD1-CD2 3.59Å; L568-P630 HydrophobicContact CB-CB 4.29Å; L568-P630 VanDerWaalsContact O-CB 3.24Å; L568-P630 WeakPolarHBondContact O-CB 3.04Å
569	R	65.3	Low	81.9	Confident	229 Å²	229	68.2 Å²	68.2	86%	0.864	33%	0.327	S	S	*	.			trans	-112.7	135.2	171.1	-149.6	176.3	-169.3	-172.5	2.2	109.3
570	E	65.1	Low	81.9	Confident	177 Å²	177	68.3 Å²	68.3	83%	0.827	33%	0.326	S	S	*	.	S	Bend	trans	59.8	86.9	-172.3	-58	-158.8	163.8	0	0	115.3	T572	E570-T572 PolarHBondContact O-N 2.76Å
571	F	67.4	Low	81.9	Confident	51 Å²	51	75 Å²	75	22%	0.224	35%	0.349	C	S	.	.			trans	-91.9	98.3	-177.5	-163.6	-104.1	0	0	0	111.7	L568 R573 E575 L627 P630	L568-F571 HydrophobicContact CD1-CE2 4.44Å; F571-R573 WeakPolarHBondContact CE1-O 3.04Å; F571-R573 WeakPolarHBondContact CZ-O 3.4Å; F571-E575 HydrophobicContact CE2-CB 4.22Å; F571-E575 HydrophobicContact CZ-CB 4.25Å; F571-L627 HydrophobicContact CE2-CB 4.48Å; F571-L627 HydrophobicContact CE2-CD2 3.87Å; F571-L627 HydrophobicContact CE2-CG 4.2Å; F571-L627 HydrophobicContact CZ-CB 4.2Å; F571-L627 HydrophobicContact CZ-CD2 4.35Å; F571-L627 HydrophobicContact CZ-CG 4.17Å; F571-L627 VanDerWaalsContact CZ-O 3.28Å; F571-L627 WeakPolarHBondContact CZ-O 3.44Å; F571-P630 HydrophobicContact CB-CB 4.09Å; F571-P630 HydrophobicContact CB-CG 4Å
572	T	76	Confident	81.9	Confident	133 Å²	133	74.6 Å²	74.6	82%	0.816	35%	0.347	S	S	*	.			trans	-88.1	-19.8	-173.1	55	0	0	0	0	115	E570	E570-T572 PolarHBondContact O-N 2.76Å
573	R	83.6	Confident	81.8	Confident	194 Å²	194	80 Å²	80	73%	0.732	38%	0.383	S	S	*	.	S	Bend	trans	-155.6	150.3	-179.8	64.6	-177.5	-176.1	177.9	1	110.9	F571	F571-R573 WeakPolarHBondContact CE1-O 3.04Å; F571-R573 WeakPolarHBondContact CZ-O 3.4Å
574	P	85.8	Confident	81.5	Confident	64 Å²	64	77.7 Å²	77.7	42%	0.416	37%	0.373	S	S	.	.			trans	-53.7	142.5	168.8	-27.6	36.8	0	0	0	113.1	R626 L627 V628	P574-R626 HydrophobicContact CB-CB 4.43Å; P574-L627 VanDerWaalsContact CA-O 3.25Å; P574-L627 WeakPolarHBondContact CA-O 3.34Å; P574-V628 HydrophobicContact CB-CG1 4.19Å; P574-V628 HydrophobicContact CG-CG1 4.31Å
575	E	86.6	Confident	81.1	Confident	91 Å²	91	79.6 Å²	79.6	43%	0.425	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.9	-176.4	179.9	166.2	-141.9	0	0	110.5	F571 I577 R626 L627	F571-E575 HydrophobicContact CE2-CB 4.22Å; F571-E575 HydrophobicContact CZ-CB 4.25Å; E575-I577 HydrophobicContact CG-CG2 4.36Å; E575-I577 PolarHBondContact O-N 3.38Å; E575-R626 CarbonylContact O-C 3.55Å; E575-R626 WeakPolarHBondContact O-CA 3.37Å; E575-R626 WeakPolarHBondContact O-CB 3.44Å; E575-L627 HydrophobicContact CB-CB 4.45Å; E575-L627 PolarHBondContact N-O 2.91Å; E575-L627 PolarHBondContact O-N 2.97Å
576	E	89.3	Confident	80.5	Confident	69 Å²	69	79.3 Å²	79.3	32%	0.322	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	105.4	-170.2	-50.7	-157.9	148.3	0	0	110.6	F579 R615 V624 R626	E576-F579 HydrophobicContact CB-CE1 4.39Å; E576-F579 HydrophobicContact CB-CE2 4.36Å; E576-F579 HydrophobicContact CB-CZ 3.68Å; E576-R615 VanDerWaalsContact CD-NH2 3.31Å; E576-R615 IonicContact OE1-CZ 3.94Å; E576-R615 IonicContact OE1-NH1 2.64Å; E576-R615 IonicContact OE1-NH2 2.75Å; E576-R615 PolarHBondContact OE1-NH2 2.97Å; E576-R615 IonicContact OE2-CZ 2.82Å; E576-R615 IonicContact OE2-NH1 2.8Å; E576-R615 PolarHBondContact OE2-NH1 2.58Å; E576-R615 IonicContact OE2-NH2 2.74Å; E576-R615 PolarHBondContact OE2-NH2 3.47Å; E576-R615 VanDerWaalsContact OE2-NH2 3.13Å; E576-V624 HydrophobicContact CB-CG1 3.73Å; E576-V624 HydrophobicContact CG-CG1 4.02Å; E576-R626 HydrophobicContact CG-CG 4.11Å
577	I	83.7	Confident	79.7	Confident	16 Å²	16	86.4 Å²	86.4	8%	0.082	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-31.9	-166.7	53.7	157.4	0	0	0	114.6	F563 E575 F610 V625 I661	F563-I577 WeakPolarHBondContact CE1-O 3.33Å; F563-I577 VanDerWaalsContact CZ-O 3.23Å; F563-I577 WeakPolarHBondContact CZ-O 3.42Å; E575-I577 HydrophobicContact CG-CG2 4.36Å; E575-I577 PolarHBondContact O-N 3.38Å; I577-F610 HydrophobicContact CD1-CD1 3.74Å; I577-F610 HydrophobicContact CD1-CE1 3.58Å; I577-V625 HydrophobicContact CD1-CG1 4.06Å; I577-V625 HydrophobicContact CG1-CB 4.3Å; I577-V625 HydrophobicContact CG1-CG1 4.07Å; I577-V625 WeakPolarHBondContact CG1-O 3.41Å; I577-V625 PolarHBondContact N-O 3.06Å; I577-I661 HydrophobicContact CD1-CD1 4.42Å
578	V	85.6	Confident	78.4	Confident	9 Å²	9	88.4 Å²	88.4	6%	0.055	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	133.5	-178.1	-162.5	0	0	0	0	111.3	F563 L580 V624 V625 V659	F563-V578 HydrophobicContact CD2-CG2 4.21Å; F563-V578 HydrophobicContact CE2-CB 4.37Å; F563-V578 HydrophobicContact CE2-CG1 4.1Å; F563-V578 HydrophobicContact CE2-CG2 3.6Å; F563-V578 HydrophobicContact CZ-CB 4.4Å; F563-V578 HydrophobicContact CZ-CG1 4.26Å; F563-V578 HydrophobicContact CZ-CG2 3.91Å; V578-L580 HydrophobicContact CG1-CD2 4.26Å; V578-V624 WeakPolarHBondContact O-CA 3.19Å; V578-V625 HydrophobicContact CB-CB 3.85Å; V578-V625 HydrophobicContact CB-CG2 3.88Å; V578-V625 HydrophobicContact CG2-CB 4.12Å; V578-V625 HydrophobicContact CG2-CG2 4.38Å; V578-V625 PolarHBondContact N-O 2.84Å; V578-V625 PolarHBondContact O-N 2.79Å; V578-V659 HydrophobicContact CG1-CG2 4.41Å; V578-V659 HydrophobicContact CG2-CG1 4.04Å; V578-V659 HydrophobicContact CG2-CG2 4.39Å
579	F	88.6	Confident	77.1	Confident	88 Å²	88	90.7 Å²	90.7	39%	0.386	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	93.5	-175.9	-63.8	-95.4	0	0	0	111.5	E576 R581 V622 V624	E576-F579 HydrophobicContact CB-CE1 4.39Å; E576-F579 HydrophobicContact CB-CE2 4.36Å; E576-F579 HydrophobicContact CB-CZ 3.68Å; F579-R581 PolarHBondContact O-N 2.04Å; F579-V622 HydrophobicContact CB-CG1 4.27Å; F579-V622 HydrophobicContact CD1-CG1 4.39Å; F579-V624 HydrophobicContact CD1-CG1 4.12Å; F579-V624 HydrophobicContact CD1-CG2 3.9Å; F579-V624 HydrophobicContact CE1-CG1 3.75Å; F579-V624 HydrophobicContact CE1-CG2 4.03Å; F579-V624 HydrophobicContact CZ-CG1 4.2Å
580	L	88.1	Confident	76.3	Confident	15 Å²	15	90.6 Å²	90.6	8%	0.079	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	82.7	176.5	-57.2	-174.7	0	0	0	110.9	V578 F599 I612 V622 G623 L641 I657	V578-L580 HydrophobicContact CG1-CD2 4.26Å; L580-F599 HydrophobicContact CB-CD1 4.18Å; L580-F599 HydrophobicContact CB-CE1 3.89Å; L580-F599 HydrophobicContact CD1-CD1 4.04Å; L580-I612 HydrophobicContact CD1-CD1 4.02Å; L580-V622 WeakPolarHBondContact O-CA 3.05Å; L580-G623 WeakPolarHBondContact CB-O 3.41Å; L580-G623 PolarHBondContact N-O 3.08Å; L580-G623 PolarHBondContact O-N 3.31Å; L580-L641 HydrophobicContact CD1-CB 4.24Å; L580-L641 HydrophobicContact CD1-CD1 4.05Å; L580-L641 HydrophobicContact CD2-CD1 4.35Å; L580-L641 HydrophobicContact CG-CD1 4.5Å; L580-I657 HydrophobicContact CD1-CD1 4.21Å; L580-I657 HydrophobicContact CD2-CB 4.28Å; L580-I657 HydrophobicContact CD2-CD1 4.09Å; L580-I657 HydrophobicContact CD2-CG1 4.04Å; L580-I657 HydrophobicContact CD2-CG2 4.21Å
581	R	86.3	Confident	75.6	Confident	170 Å²	170	90.1 Å²	90.1	64%	0.642	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	132.3	178.3	-67.9	-176.2	168	160.3	0.7	112	F579 E617 V622	F579-R581 PolarHBondContact O-N 2.04Å; R581-E617 IonicContact NH2-OE2 3.72Å; R581-V622 HydrophobicContact CG-CG1 4Å; R581-V622 HydrophobicContact CG-CG2 3.99Å
582	T	83.8	Confident	74.9	Confident	11 Å²	11	94.1 Å²	94.1	7%	0.067	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	167.3	177.4	71.2	0	0	0	0	112	V584 V597 F599 Y621 M643	T582-V584 PolarHBondContact OG1-N 2.74Å; T582-V597 HydrophobicContact CG2-CB 4.18Å; T582-V597 HydrophobicContact CG2-CG1 3.82Å; T582-V597 HydrophobicContact CG2-CG2 3.89Å; T582-F599 HydrophobicContact CG2-CE1 3.95Å; T582-F599 HydrophobicContact CG2-CZ 3.53Å; T582-Y621 WeakPolarHBondContact CB-O 3.5Å; T582-Y621 VanDerWaalsContact CG2-O 3.31Å; T582-Y621 WeakPolarHBondContact CG2-O 3.37Å; T582-Y621 PolarHBondContact N-O 2.94Å; T582-Y621 VanDerWaalsContact N-O 3.07Å; T582-Y621 PolarHBondContact OG1-N 3.43Å; T582-Y621 PolarHBondContact OG1-O 3.38Å; T582-M643 HydrophobicContact CG2-CG 4.38Å; T582-M643 HydrophobicContact CG2-SD 3.67Å
583	T	81.3	Confident	73.9	Confident	137 Å²	137	89.7 Å²	89.7	84%	0.84	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	12.9	165.8	59.6	0	0	0	0	112.5
584	V	79.1	Confident	72.6	Confident	14 Å²	14	85.5 Å²	85.5	9%	0.085	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.5	-176.1	-179.7	0	0	0	0	109	T582 A586 V597 V620 Y621	T582-V584 PolarHBondContact OG1-N 2.74Å; V584-A586 PolarHBondContact O-N 3.33Å; V584-V597 HydrophobicContact CB-CG2 3.74Å; V584-V597 HydrophobicContact CG1-CG2 4.11Å; V584-V597 HydrophobicContact CG2-CG2 3.63Å; V584-V620 WeakPolarHBondContact O-CA 3.39Å; V584-Y621 HydrophobicContact CB-CD2 4.29Å; V584-Y621 HydrophobicContact CG1-CD2 4.02Å; V584-Y621 HydrophobicContact CG1-CE2 4.21Å; V584-Y621 PolarHBondContact O-N 2.88Å
585	P	78.4	Confident	71.8	Confident	77 Å²	77	89 Å²	89	50%	0.5	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.1	178.8	29	-33.6	0	0	0	110.5	Y587 G619	P585-Y587 VanDerWaalsContact C-N 3.26Å; P585-Y587 PolarHBondContact O-N 2.93Å; P585-G619 CarbonylContact C-O 3.56Å; P585-G619 WeakPolarHBondContact CA-O 3.5Å
586	A	73.3	Confident	71.7	Confident	17 Å²	17	86.9 Å²	86.9	14%	0.14	45%	0.45	C	S	.	.	S	Bend	trans	-76.5	-13.1	178	0	0	0	0	0	113.4	V584 V616 G619 Y621	V584-A586 PolarHBondContact O-N 3.33Å; A586-V616 HydrophobicContact CB-CB 4.31Å; A586-V616 HydrophobicContact CB-CG1 3.61Å; A586-V616 HydrophobicContact CB-CG2 3.66Å; A586-G619 PolarHBondContact N-O 2.78Å; A586-Y621 HydrophobicContact CB-CD1 4.05Å; A586-Y621 HydrophobicContact CB-CD2 4.42Å; A586-Y621 HydrophobicContact CB-CE1 3.69Å; A586-Y621 HydrophobicContact CB-CE2 4.11Å; A586-Y621 HydrophobicContact CB-CG 4.39Å
587	Y	68.4	Low	71.5	Confident	185 Å²	185	83.6 Å²	83.6	73%	0.725	44%	0.435	S	S	*	.	S	Bend	trans	-127.4	96.9	177.9	-56.4	-72.7	0	0	0	109.5	P585 V616	P585-Y587 VanDerWaalsContact C-N 3.26Å; P585-Y587 PolarHBondContact O-N 2.93Å; Y587-V616 HydrophobicContact CE2-CG1 3.95Å
588	G	57.5	Low	71.8	Confident	61 Å²	61	87.1 Å²	87.1	63%	0.629	45%	0.449	S	S	*	.			trans	-122.8	151.4	179.1	0	0	0	0	0	112.1
589	S	46.9	Very low	72.2	Confident	97 Å²	97	87.7 Å²	87.7	68%	0.678	45%	0.451	S	S	*	.			trans	-74.5	143.1	179.4	55.4	0	0	0	0	112.3	H591	S589-H591 PolarHBondContact O-N 3.17Å
590	Y	47.8	Very low	72.4	Confident	227 Å²	227	85.7 Å²	85.7	89%	0.89	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	10.2	-170	-74.1	-86.8	0	0	0	117.7
591	H	50.3	Low	72.6	Confident	166 Å²	166	87 Å²	87	77%	0.769	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-10.7	-170.1	-69.3	-59.2	0	0	0	116.3	S589	S589-H591 PolarHBondContact O-N 3.17Å
592	L	52.2	Low	73	Confident	135 Å²	135	82.3 Å²	82.3	71%	0.707	44%	0.437	S	S	*	.	S	Bend	trans	-130.4	45.6	174.8	-78	96.8	0	0	0	113.1	Y595	L592-Y595 WeakPolarHBondContact O-CE2 3.45Å
593	G	54.5	Low	73.4	Confident	40 Å²	40	87.1 Å²	87.1	41%	0.412	46%	0.459	S	S	.	.			trans	76	153.3	170.1	0	0	0	0	0	115.3	Y595	G593-Y595 PolarHBondContact O-N 2.81Å
594	T	56.3	Low	73.6	Confident	107 Å²	107	82 Å²	82	66%	0.656	43%	0.433	S	S	*	.			trans	-81.6	97.3	171.7	50.5	0	0	0	0	109.3
595	Y	70.8	Confident	74.2	Confident	137 Å²	137	83.4 Å²	83.4	54%	0.537	44%	0.44	S	S	.	.			trans	-75.7	126.1	164.2	-67.3	-81	0	0	0	109	L592 G593 T647	L592-Y595 WeakPolarHBondContact O-CE2 3.45Å; G593-Y595 PolarHBondContact O-N 2.81Å; Y595-T647 HydrophobicContact CD1-CG2 3.86Å; Y595-T647 HydrophobicContact CE1-CG2 3.78Å
596	D	82.8	Confident	74.5	Confident	47 Å²	47	81.4 Å²	81.4	25%	0.251	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	161.1	177.4	-167.4	46	0	0	0	110.9	K614 L646	D596-K614 IonicContact OD1-NZ 3.75Å; D596-K614 PolarHBondContact OD1-NZ 3Å; D596-K614 IonicContact OD2-NZ 3.36Å; D596-K614 PolarHBondContact OD2-NZ 2.85Å; D596-L646 HydrophobicContact CB-CB 4.25Å; D596-L646 HydrophobicContact CB-CD1 4.49Å; D596-L646 PolarHBondContact N-O 2.04Å; D596-L646 VanDerWaalsContact N-O 3.09Å; D596-L646 WeakPolarHBondContact O-CB 3.3Å; D596-L646 PolarHBondContact O-N 3.4Å
597	V	86.9	Confident	75.1	Confident	0 Å²	0	86.4 Å²	86.4	0%	0	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.8	177	-174.1	0	0	0	0	111.1	T582 V584 F599 K614 Y621 M643 R644	T582-V597 HydrophobicContact CG2-CB 4.18Å; T582-V597 HydrophobicContact CG2-CG1 3.82Å; T582-V597 HydrophobicContact CG2-CG2 3.89Å; V584-V597 HydrophobicContact CB-CG2 3.74Å; V584-V597 HydrophobicContact CG1-CG2 4.11Å; V584-V597 HydrophobicContact CG2-CG2 3.63Å; V597-F599 HydrophobicContact CB-CE2 4.15Å; V597-F599 HydrophobicContact CB-CZ 4.23Å; V597-F599 HydrophobicContact CG1-CD1 4.36Å; V597-F599 HydrophobicContact CG1-CD2 4.3Å; V597-F599 HydrophobicContact CG1-CE1 3.89Å; V597-F599 HydrophobicContact CG1-CE2 3.81Å; V597-F599 HydrophobicContact CG1-CZ 3.59Å; V597-K614 VanDerWaalsContact O-CE 3.3Å; V597-K614 WeakPolarHBondContact O-CE 3.44Å; V597-K614 PolarHBondContact O-NZ 3.28Å; V597-Y621 HydrophobicContact CB-CD2 4.43Å; V597-Y621 HydrophobicContact CG2-CD2 4.12Å; V597-M643 HydrophobicContact CG1-CG 3.76Å; V597-R644 WeakPolarHBondContact CA-O 3.36Å
598	K	89.7	Confident	76.1	Confident	89 Å²	89	83 Å²	83	39%	0.387	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.4	171.3	-156.4	-173.7	-168.3	-164	0	109.5	E600 R644 L646	K598-E600 HydrophobicContact CD-CG 4.39Å; K598-E600 WeakPolarHBondContact CE-OE1 3.36Å; K598-E600 HydrophobicContact CG-CG 4.44Å; K598-E600 IonicContact NZ-OE1 2.76Å; K598-E600 PolarHBondContact NZ-OE1 3.11Å; K598-R644 HydrophobicContact CB-CB 4.42Å; K598-R644 PolarHBondContact N-O 3.14Å; K598-R644 PolarHBondContact O-N 3.06Å; K598-L646 HydrophobicContact CB-CD1 4.19Å; K598-L646 HydrophobicContact CB-CG 4.39Å
599	F	93.3	Very high	77.6	Confident	22 Å²	22	80.1 Å²	80.1	10%	0.096	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.2	174.4	-57	-85.5	0	0	0	109.1	L580 T582 V597 I612 K614 S642 M643	L580-F599 HydrophobicContact CB-CD1 4.18Å; L580-F599 HydrophobicContact CB-CE1 3.89Å; L580-F599 HydrophobicContact CD1-CD1 4.04Å; T582-F599 HydrophobicContact CG2-CE1 3.95Å; T582-F599 HydrophobicContact CG2-CZ 3.53Å; V597-F599 HydrophobicContact CB-CE2 4.15Å; V597-F599 HydrophobicContact CB-CZ 4.23Å; V597-F599 HydrophobicContact CG1-CD1 4.36Å; V597-F599 HydrophobicContact CG1-CD2 4.3Å; V597-F599 HydrophobicContact CG1-CE1 3.89Å; V597-F599 HydrophobicContact CG1-CE2 3.81Å; V597-F599 HydrophobicContact CG1-CZ 3.59Å; F599-I612 HydrophobicContact CB-CD1 3.71Å; F599-I612 HydrophobicContact CB-CG1 4.09Å; F599-K614 HydrophobicContact CD2-CB 4.25Å; F599-K614 HydrophobicContact CD2-CD 4.35Å; F599-K614 HydrophobicContact CD2-CG 4.2Å; F599-K614 HydrophobicContact CE2-CD 4.39Å; F599-K614 HydrophobicContact CE2-CG 4.09Å; F599-S642 WeakPolarHBondContact CA-O 3.36Å; F599-M643 HydrophobicContact CD1-CB 4.21Å; F599-M643 HydrophobicContact CD1-CG 3.95Å; F599-M643 HydrophobicContact CE1-CB 4.34Å; F599-M643 HydrophobicContact CE1-CG 3.64Å; F599-M643 HydrophobicContact CE1-SD 3.91Å
600	E	92.5	Very high	79.7	Confident	46 Å²	46	75.7 Å²	75.7	22%	0.215	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152.1	-178.4	-68.9	172.8	155.6	0	0	111	K598 L641 S642 R644	K598-E600 HydrophobicContact CD-CG 4.39Å; K598-E600 WeakPolarHBondContact CE-OE1 3.36Å; K598-E600 HydrophobicContact CG-CG 4.44Å; K598-E600 IonicContact NZ-OE1 2.76Å; K598-E600 PolarHBondContact NZ-OE1 3.11Å; E600-L641 WeakPolarHBondContact O-CA 3.33Å; E600-S642 PolarHBondContact N-O 2.85Å; E600-S642 PolarHBondContact O-N 2.87Å; E600-R644 IonicContact OE1-NH2 3.76Å; E600-R644 PolarHBondContact OE1-NH2 2.04Å; E600-R644 IonicContact OE2-CZ 3.38Å; E600-R644 IonicContact OE2-NE 3.46Å; E600-R644 PolarHBondContact OE2-NE 2.9Å; E600-R644 IonicContact OE2-NH2 2.74Å; E600-R644 PolarHBondContact OE2-NH2 3.23Å
601	I	93.7	Very high	81.9	Confident	41 Å²	41	67.1 Å²	67.1	21%	0.21	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124	164.2	-51	174.2	0	0	0	106.9	N605 F610 I612 L639 L641	I601-N605 HydrophobicContact CG2-CB 4.02Å; I601-F610 HydrophobicContact CD1-CB 4.09Å; I601-I612 HydrophobicContact CD1-CB 4.44Å; I601-I612 HydrophobicContact CD1-CG2 4.4Å; I601-I612 HydrophobicContact CG1-CB 4.21Å; I601-I612 HydrophobicContact CG1-CG2 3.9Å; I601-L639 HydrophobicContact CG2-CD1 3.54Å; I601-L639 HydrophobicContact CG2-CG 4.27Å; I601-L641 HydrophobicContact CB-CD2 4.27Å; I601-L641 HydrophobicContact CG1-CD2 3.77Å; I601-L641 HydrophobicContact CG2-CD2 4.23Å
602	L	92.9	Very high	84	Confident	73 Å²	73	61 Å²	61	38%	0.382	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-53.6	-179.7	-59.9	-179.7	0	0	0	111.5	K640	L602-K640 HydrophobicContact CB-CD 4.31Å; L602-K640 HydrophobicContact CB-CG 4.33Å; L602-K640 WeakPolarHBondContact CB-O 3.21Å; L602-K640 HydrophobicContact CD1-CD 4.45Å; L602-K640 HydrophobicContact CD1-CG 4.35Å; L602-K640 PolarHBondContact N-O 2.93Å
603	E	92.7	Very high	86	Confident	112 Å²	112	56.8 Å²	56.8	52%	0.523	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	163.5	-171.4	-66.4	157.9	-150.8	0	0	109.4	N605 K640	E603-N605 PolarHBondContact O-N 3.08Å; E603-K640 HydrophobicContact CB-CB 4Å; E603-K640 HydrophobicContact CB-CD 3.94Å; E603-K640 VanDerWaalsContact CD-CD 3.48Å; E603-K640 HydrophobicContact CG-CD 4.12Å; E603-K640 PolarHBondContact N-O 2.71Å; E603-K640 PolarHBondContact O-N 3.49Å; E603-K640 IonicContact OE1-NZ 3.42Å; E603-K640 PolarHBondContact OE1-NZ 2.95Å; E603-K640 WeakPolarHBondContact OE2-CD 3.11Å; E603-K640 WeakPolarHBondContact OE2-CE 3.13Å; E603-K640 IonicContact OE2-NZ 2.68Å; E603-K640 PolarHBondContact OE2-NZ 2.9Å
604	G	86.6	Confident	87.7	Confident	29 Å²	29	59.3 Å²	59.3	30%	0.299	30%	0.298	S	S	.	.			trans	82.3	4.6	173.6	0	0	0	0	0	116.5	I606 I638	G604-I606 VanDerWaalsContact C-N 3.26Å; G604-I606 PolarHBondContact O-N 2.94Å; G604-I638 WeakPolarHBondContact CA-O 3.07Å
605	N	90.4	Very high	89.4	Confident	43 Å²	43	58.1 Å²	58.1	23%	0.23	28%	0.281	C	S	.	.			trans	-74.5	76.5	175	-161.4	-6.2	0	0	0	111.9	I601 E603 E607 N608 A609 F610 L639	I601-N605 HydrophobicContact CG2-CB 4.02Å; E603-N605 PolarHBondContact O-N 3.08Å; N605-E607 PolarHBondContact O-N 2.89Å; N605-N608 PolarHBondContact O-N 3.39Å; N605-N608 WeakPolarHBondContact OD1-CA 3.47Å; N605-A609 PolarHBondContact OD1-N 2.91Å; N605-F610 PolarHBondContact ND2-O 3.46Å; N605-F610 PolarHBondContact OD1-N 3.19Å; N605-F610 PolarHBondContact OD1-O 3.48Å; N605-L639 HydrophobicContact CB-CD1 4.17Å
606	I	85.8	Confident	90.2	Very high	35 Å²	35	54.4 Å²	54.4	18%	0.179	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-52.9	125	176.9	-72.5	-173	0	0	0	110	G604 N608 A609 L631 R635 T637	G604-I606 VanDerWaalsContact C-N 3.26Å; G604-I606 PolarHBondContact O-N 2.94Å; I606-N608 PolarHBondContact O-N 3.08Å; I606-A609 WeakPolarHBondContact O-CB 3.47Å; I606-A609 PolarHBondContact O-N 2.92Å; I606-L631 HydrophobicContact CG2-CD2 4.31Å; I606-R635 VanDerWaalsContact CG2-CZ 3.45Å; I606-R635 VanDerWaalsContact CG2-NH2 3.34Å; I606-T637 HydrophobicContact CD1-CG2 4.16Å; I606-T637 WeakPolarHBondContact CD1-OG1 3.37Å
607	E	85.9	Confident	90.4	Very high	122 Å²	122	54 Å²	54	57%	0.57	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	55.2	16.2	173.4	-68.3	157.8	-132.7	0	0	115.2	N605 A609 K629 R635	N605-E607 PolarHBondContact O-N 2.89Å; E607-A609 VanDerWaalsContact C-N 3.29Å; E607-K629 PolarHBondContact O-NZ 3.01Å; E607-R635 IonicContact OE1-CZ 2.75Å; E607-R635 IonicContact OE1-NH1 2.83Å; E607-R635 PolarHBondContact OE1-NH1 3.3Å; E607-R635 IonicContact OE1-NH2 3.66Å; E607-R635 PolarHBondContact OE1-NH2 3.26Å; E607-R635 IonicContact OE2-NH1 2.68Å
608	N	89.4	Confident	90.3	Very high	113 Å²	113	61.8 Å²	61.8	60%	0.604	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	52.5	46.2	-165.3	-57.9	-46	0	0	0	112	N605 I606 K629	N605-N608 PolarHBondContact O-N 3.39Å; N605-N608 WeakPolarHBondContact OD1-CA 3.47Å; I606-N608 PolarHBondContact O-N 3.08Å; N608-K629 WeakPolarHBondContact O-CD 3.04Å; N608-K629 WeakPolarHBondContact O-CE 3.41Å
609	A	88.6	Confident	90	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.008	31%	0.306	C	S	.	.			trans	-81.4	-15.7	176.9	0	0	0	0	0	113.3	N605 I606 E607 L627 V628 K629 L631	N605-A609 PolarHBondContact OD1-N 2.91Å; I606-A609 WeakPolarHBondContact O-CB 3.47Å; I606-A609 PolarHBondContact O-N 2.92Å; E607-A609 VanDerWaalsContact C-N 3.29Å; A609-L627 HydrophobicContact CB-CD1 4.44Å; A609-V628 VanDerWaalsContact O-CG2 3.26Å; A609-V628 WeakPolarHBondContact O-CG2 3.41Å; A609-V628 PolarHBondContact O-N 2.04Å; A609-K629 HydrophobicContact CB-CB 4.11Å; A609-K629 PolarHBondContact O-N 3.17Å; A609-L631 HydrophobicContact CB-CD2 3.86Å; A609-L631 HydrophobicContact CB-CG 4.16Å
610	F	91.8	Very high	89.7	Confident	5 Å²	5	59.9 Å²	59.9	2%	0.022	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	144	177.6	-54.5	-77.3	0	0	0	112.1	I577 I601 N605 V625 R626 L627 L631 L639 I661	I577-F610 HydrophobicContact CD1-CD1 3.74Å; I577-F610 HydrophobicContact CD1-CE1 3.58Å; I601-F610 HydrophobicContact CD1-CB 4.09Å; N605-F610 PolarHBondContact ND2-O 3.46Å; N605-F610 PolarHBondContact OD1-N 3.19Å; N605-F610 PolarHBondContact OD1-O 3.48Å; F610-V625 HydrophobicContact CB-CG1 4.5Å; F610-R626 CarbonylContact C-O 3.55Å; F610-R626 VanDerWaalsContact CA-O 3.28Å; F610-R626 WeakPolarHBondContact CA-O 3.2Å; F610-L627 HydrophobicContact CD1-CD1 3.91Å; F610-L627 HydrophobicContact CE1-CD1 3.53Å; F610-L627 HydrophobicContact CZ-CD1 4.15Å; F610-L631 HydrophobicContact CE1-CD1 4.3Å; F610-L631 HydrophobicContact CE2-CD1 4.15Å; F610-L631 HydrophobicContact CZ-CD1 3.57Å; F610-L639 HydrophobicContact CB-CD1 4.37Å; F610-L639 HydrophobicContact CB-CD2 4.03Å; F610-L639 HydrophobicContact CD1-CD2 4.13Å; F610-L639 HydrophobicContact CD2-CD1 3.77Å; F610-L639 HydrophobicContact CD2-CD2 3.96Å; F610-L639 HydrophobicContact CD2-CG 4.44Å; F610-L639 HydrophobicContact CE2-CD1 4.41Å; F610-L639 HydrophobicContact CE2-CD2 4.46Å; F610-L639 HydrophobicContact CG-CD1 4.25Å; F610-L639 HydrophobicContact CG-CD2 3.77Å; F610-I661 HydrophobicContact CE1-CD1 3.74Å; F610-I661 HydrophobicContact CE2-CD1 4.14Å; F610-I661 HydrophobicContact CZ-CD1 3.44Å; F610-I661 VanDerWaalsContact CZ-CD1 3.44Å
611	D	93.6	Very high	89.5	Confident	46 Å²	46	59.5 Å²	59.5	25%	0.246	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	170.5	160.7	87.2	8.4	0	0	0	111.6	V625 R626 V628	D611-V625 WeakPolarHBondContact O-CA 3.34Å; D611-R626 PolarHBondContact N-O 2.91Å; D611-R626 PolarHBondContact O-N 2.84Å; D611-R626 WeakPolarHBondContact OD1-CB 3.39Å; D611-R626 IonicContact OD1-CZ 3.1Å; D611-R626 IonicContact OD1-NE 2.83Å; D611-R626 PolarHBondContact OD1-NE 3.42Å; D611-R626 IonicContact OD1-NH2 3.41Å; D611-R626 PolarHBondContact OD1-NH2 3.1Å; D611-R626 IonicContact OD2-CZ 2.64Å; D611-R626 IonicContact OD2-NE 3.43Å; D611-R626 IonicContact OD2-NH2 2.7Å; D611-R626 PolarHBondContact OD2-NH2 2.04Å; D611-V628 HydrophobicContact CB-CG1 4.02Å; D611-V628 HydrophobicContact CB-CG2 4.43Å
612	I	93.7	Very high	89.4	Confident	37 Å²	37	57.5 Å²	57.5	19%	0.19	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.4	174.4	-167.1	165.9	0	0	0	109.4	L580 F599 I601 V624 V625 L641	L580-I612 HydrophobicContact CD1-CD1 4.02Å; F599-I612 HydrophobicContact CB-CD1 3.71Å; F599-I612 HydrophobicContact CB-CG1 4.09Å; I601-I612 HydrophobicContact CD1-CB 4.44Å; I601-I612 HydrophobicContact CD1-CG2 4.4Å; I601-I612 HydrophobicContact CG1-CB 4.21Å; I601-I612 HydrophobicContact CG1-CG2 3.9Å; I612-V624 WeakPolarHBondContact CA-O 3.35Å; I612-V625 HydrophobicContact CD1-CG2 3.87Å; I612-V625 HydrophobicContact CG1-CG2 4.12Å; I612-L641 HydrophobicContact CD1-CD2 4.42Å
613	I	93.4	Very high	89.3	Confident	48 Å²	48	54 Å²	54	25%	0.246	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	153.9	178.1	64.7	167.8	0	0	0	110.8	G623 V624	I613-G623 CarbonylContact O-C 3.25Å; I613-G623 WeakPolarHBondContact O-CA 3.45Å; I613-V624 HydrophobicContact CD1-CB 4.47Å; I613-V624 HydrophobicContact CG1-CB 3.87Å; I613-V624 PolarHBondContact N-O 3.09Å; I613-V624 PolarHBondContact O-N 3.47Å
614	K	91.6	Very high	89.3	Confident	93 Å²	93	48.7 Å²	48.7	40%	0.404	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	117	176.6	178.4	172.3	172.5	179.2	0	109.6	D596 V597 F599 Y621	D596-K614 IonicContact OD1-NZ 3.75Å; D596-K614 PolarHBondContact OD1-NZ 3Å; D596-K614 IonicContact OD2-NZ 3.36Å; D596-K614 PolarHBondContact OD2-NZ 2.85Å; V597-K614 VanDerWaalsContact O-CE 3.3Å; V597-K614 WeakPolarHBondContact O-CE 3.44Å; V597-K614 PolarHBondContact O-NZ 3.28Å; F599-K614 HydrophobicContact CD2-CB 4.25Å; F599-K614 HydrophobicContact CD2-CD 4.35Å; F599-K614 HydrophobicContact CD2-CG 4.2Å; F599-K614 HydrophobicContact CE2-CD 4.39Å; F599-K614 HydrophobicContact CE2-CG 4.09Å; K614-Y621 HydrophobicContact CD-CD1 4.5Å; K614-Y621 HydrophobicContact CG-CD1 4.39Å
615	R	90.8	Very high	89.5	Confident	82 Å²	82	47.3 Å²	47.3	31%	0.309	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	160.4	175.4	-172	178.3	-77.5	153.9	2.8	109.6	E576 E617 V622 V624	E576-R615 VanDerWaalsContact CD-NH2 3.31Å; E576-R615 IonicContact OE1-CZ 3.94Å; E576-R615 IonicContact OE1-NH1 2.64Å; E576-R615 IonicContact OE1-NH2 2.75Å; E576-R615 PolarHBondContact OE1-NH2 2.97Å; E576-R615 IonicContact OE2-CZ 2.82Å; E576-R615 IonicContact OE2-NH1 2.8Å; E576-R615 PolarHBondContact OE2-NH1 2.58Å; E576-R615 IonicContact OE2-NH2 2.74Å; E576-R615 PolarHBondContact OE2-NH2 3.47Å; E576-R615 VanDerWaalsContact OE2-NH2 3.13Å; R615-E617 WeakPolarHBondContact CD-OE1 3.03Å; R615-E617 HydrophobicContact CG-CG 3.91Å; R615-E617 IonicContact NH1-OE1 3.9Å; R615-E617 PolarHBondContact NH1-OE1 3.02Å; R615-V622 PolarHBondContact N-O 3.22Å; R615-V622 PolarHBondContact O-N 2.99Å; R615-V624 HydrophobicContact CB-CG2 4.18Å
616	V	88.1	Confident	89.6	Confident	58 Å²	58	47.9 Å²	47.9	35%	0.352	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.8	163.2	176.8	0	0	0	0	107.6	A586 Y587 V620 Y621	A586-V616 HydrophobicContact CB-CB 4.31Å; A586-V616 HydrophobicContact CB-CG1 3.61Å; A586-V616 HydrophobicContact CB-CG2 3.66Å; Y587-V616 HydrophobicContact CE2-CG1 3.95Å; V616-V620 WeakPolarHBondContact CA-O 3.04Å; V616-Y621 HydrophobicContact CG2-CD1 3.81Å; V616-Y621 HydrophobicContact CG2-CE1 3.85Å
617	E	87.1	Confident	89.7	Confident	39 Å²	39	46.2 Å²	46.2	18%	0.182	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.8	175.4	-59.5	-175.2	168.1	0	0	108.1	R581 R615 G619 V620 V622	R581-E617 IonicContact NH2-OE2 3.72Å; R615-E617 WeakPolarHBondContact CD-OE1 3.03Å; R615-E617 HydrophobicContact CG-CG 3.91Å; R615-E617 IonicContact NH1-OE1 3.9Å; R615-E617 PolarHBondContact NH1-OE1 3.02Å; E617-G619 PolarHBondContact O-N 2.82Å; E617-V620 PolarHBondContact N-O 2.67Å; E617-V620 VanDerWaalsContact O-CG2 3.31Å; E617-V620 WeakPolarHBondContact O-CG2 3.49Å; E617-V620 PolarHBondContact O-N 3.09Å; E617-V622 HydrophobicContact CB-CG2 3.85Å; E617-V622 HydrophobicContact CG-CB 4.4Å; E617-V622 HydrophobicContact CG-CG2 4.02Å
618	N	85.1	Confident	90	Very high	164 Å²	164	42.6 Å²	42.6	88%	0.877	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	29.6	178.6	-59.5	-19.1	0	0	0	115
619	G	82.5	Confident	89.9	Confident	28 Å²	28	41.7 Å²	41.7	29%	0.289	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	5.7	179.7	0	0	0	0	0	116	P585 A586 E617	P585-G619 CarbonylContact C-O 3.56Å; P585-G619 WeakPolarHBondContact CA-O 3.5Å; A586-G619 PolarHBondContact N-O 2.78Å; E617-G619 PolarHBondContact O-N 2.82Å
620	V	87.1	Confident	89.8	Confident	42 Å²	42	44.5 Å²	44.5	26%	0.255	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	158.4	173.6	-64.7	0	0	0	0	112	V584 V616 E617	V584-V620 WeakPolarHBondContact O-CA 3.39Å; V616-V620 WeakPolarHBondContact CA-O 3.04Å; E617-V620 PolarHBondContact N-O 2.67Å; E617-V620 VanDerWaalsContact O-CG2 3.31Å; E617-V620 WeakPolarHBondContact O-CG2 3.49Å; E617-V620 PolarHBondContact O-N 3.09Å
621	Y	88.8	Confident	89.6	Confident	38 Å²	38	44.7 Å²	44.7	15%	0.149	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	137.8	172.5	-64.5	-63.6	0	0	0	111.6	T582 V584 A586 V597 K614 V616	T582-Y621 WeakPolarHBondContact CB-O 3.5Å; T582-Y621 VanDerWaalsContact CG2-O 3.31Å; T582-Y621 WeakPolarHBondContact CG2-O 3.37Å; T582-Y621 PolarHBondContact N-O 2.94Å; T582-Y621 VanDerWaalsContact N-O 3.07Å; T582-Y621 PolarHBondContact OG1-N 3.43Å; T582-Y621 PolarHBondContact OG1-O 3.38Å; V584-Y621 HydrophobicContact CB-CD2 4.29Å; V584-Y621 HydrophobicContact CG1-CD2 4.02Å; V584-Y621 HydrophobicContact CG1-CE2 4.21Å; V584-Y621 PolarHBondContact O-N 2.88Å; A586-Y621 HydrophobicContact CB-CD1 4.05Å; A586-Y621 HydrophobicContact CB-CD2 4.42Å; A586-Y621 HydrophobicContact CB-CE1 3.69Å; A586-Y621 HydrophobicContact CB-CE2 4.11Å; A586-Y621 HydrophobicContact CB-CG 4.39Å; V597-Y621 HydrophobicContact CB-CD2 4.43Å; V597-Y621 HydrophobicContact CG2-CD2 4.12Å; K614-Y621 HydrophobicContact CD-CD1 4.5Å; K614-Y621 HydrophobicContact CG-CD1 4.39Å; V616-Y621 HydrophobicContact CG2-CD1 3.81Å; V616-Y621 HydrophobicContact CG2-CE1 3.85Å
622	V	90.6	Very high	89.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127	175	-174.4	0	0	0	0	109.3	F579 L580 R581 R615 E617 V624	F579-V622 HydrophobicContact CB-CG1 4.27Å; F579-V622 HydrophobicContact CD1-CG1 4.39Å; L580-V622 WeakPolarHBondContact O-CA 3.05Å; R581-V622 HydrophobicContact CG-CG1 4Å; R581-V622 HydrophobicContact CG-CG2 3.99Å; R615-V622 PolarHBondContact N-O 3.22Å; R615-V622 PolarHBondContact O-N 2.99Å; E617-V622 HydrophobicContact CB-CG2 3.85Å; E617-V622 HydrophobicContact CG-CB 4.4Å; E617-V622 HydrophobicContact CG-CG2 4.02Å; V622-V624 HydrophobicContact CG1-CG2 4.16Å
623	G	91.7	Very high	88.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	110.8	170.5	0	0	0	0	0	109.4	L580 I613	L580-G623 WeakPolarHBondContact CB-O 3.41Å; L580-G623 PolarHBondContact N-O 3.08Å; L580-G623 PolarHBondContact O-N 3.31Å; I613-G623 CarbonylContact O-C 3.25Å; I613-G623 WeakPolarHBondContact O-CA 3.45Å
624	V	92.5	Very high	88.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	111.8	179.1	-172.3	0	0	0	0	108.3	E576 V578 F579 I612 I613 R615 V622 R626	E576-V624 HydrophobicContact CB-CG1 3.73Å; E576-V624 HydrophobicContact CG-CG1 4.02Å; V578-V624 WeakPolarHBondContact O-CA 3.19Å; F579-V624 HydrophobicContact CD1-CG1 4.12Å; F579-V624 HydrophobicContact CD1-CG2 3.9Å; F579-V624 HydrophobicContact CE1-CG1 3.75Å; F579-V624 HydrophobicContact CE1-CG2 4.03Å; F579-V624 HydrophobicContact CZ-CG1 4.2Å; I612-V624 WeakPolarHBondContact CA-O 3.35Å; I613-V624 HydrophobicContact CD1-CB 4.47Å; I613-V624 HydrophobicContact CG1-CB 3.87Å; I613-V624 PolarHBondContact N-O 3.09Å; I613-V624 PolarHBondContact O-N 3.47Å; R615-V624 HydrophobicContact CB-CG2 4.18Å; V622-V624 HydrophobicContact CG1-CG2 4.16Å; V624-R626 HydrophobicContact CG1-CG 4.16Å
625	V	91.6	Very high	88.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	132.7	170	-175.6	0	0	0	0	108	I577 V578 F610 D611 I612 L639 L641	I577-V625 HydrophobicContact CD1-CG1 4.06Å; I577-V625 HydrophobicContact CG1-CB 4.3Å; I577-V625 HydrophobicContact CG1-CG1 4.07Å; I577-V625 WeakPolarHBondContact CG1-O 3.41Å; I577-V625 PolarHBondContact N-O 3.06Å; V578-V625 HydrophobicContact CB-CB 3.85Å; V578-V625 HydrophobicContact CB-CG2 3.88Å; V578-V625 HydrophobicContact CG2-CB 4.12Å; V578-V625 HydrophobicContact CG2-CG2 4.38Å; V578-V625 PolarHBondContact N-O 2.84Å; V578-V625 PolarHBondContact O-N 2.79Å; F610-V625 HydrophobicContact CB-CG1 4.5Å; D611-V625 WeakPolarHBondContact O-CA 3.34Å; I612-V625 HydrophobicContact CD1-CG2 3.87Å; I612-V625 HydrophobicContact CG1-CG2 4.12Å; V625-L639 HydrophobicContact CG1-CD2 3.85Å; V625-L641 HydrophobicContact CG2-CD1 3.56Å; V625-L641 HydrophobicContact CG2-CD2 4.22Å
626	R	91.6	Very high	88.4	Confident	54 Å²	54	49.7 Å²	49.7	20%	0.204	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.8	178.5	-47.9	-176.4	-63.5	173.6	4.4	110.9	P574 E575 E576 F610 D611 V624 V628	P574-R626 HydrophobicContact CB-CB 4.43Å; E575-R626 CarbonylContact O-C 3.55Å; E575-R626 WeakPolarHBondContact O-CA 3.37Å; E575-R626 WeakPolarHBondContact O-CB 3.44Å; E576-R626 HydrophobicContact CG-CG 4.11Å; F610-R626 CarbonylContact C-O 3.55Å; F610-R626 VanDerWaalsContact CA-O 3.28Å; F610-R626 WeakPolarHBondContact CA-O 3.2Å; D611-R626 PolarHBondContact N-O 2.91Å; D611-R626 PolarHBondContact O-N 2.84Å; D611-R626 WeakPolarHBondContact OD1-CB 3.39Å; D611-R626 IonicContact OD1-CZ 3.1Å; D611-R626 IonicContact OD1-NE 2.83Å; D611-R626 PolarHBondContact OD1-NE 3.42Å; D611-R626 IonicContact OD1-NH2 3.41Å; D611-R626 PolarHBondContact OD1-NH2 3.1Å; D611-R626 IonicContact OD2-CZ 2.64Å; D611-R626 IonicContact OD2-NE 3.43Å; D611-R626 IonicContact OD2-NH2 2.7Å; D611-R626 PolarHBondContact OD2-NH2 2.04Å; V624-R626 HydrophobicContact CG1-CG 4.16Å; R626-V628 HydrophobicContact CB-CG1 4.43Å
627	L	89.3	Confident	88.5	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132	158.3	-167.1	69.7	0	0	0	107.4	L568 F571 P574 E575 A609 F610 K629 L631	L568-L627 HydrophobicContact CD1-CD2 3.59Å; F571-L627 HydrophobicContact CE2-CB 4.48Å; F571-L627 HydrophobicContact CE2-CD2 3.87Å; F571-L627 HydrophobicContact CE2-CG 4.2Å; F571-L627 HydrophobicContact CZ-CB 4.2Å; F571-L627 HydrophobicContact CZ-CD2 4.35Å; F571-L627 HydrophobicContact CZ-CG 4.17Å; F571-L627 VanDerWaalsContact CZ-O 3.28Å; F571-L627 WeakPolarHBondContact CZ-O 3.44Å; P574-L627 VanDerWaalsContact CA-O 3.25Å; P574-L627 WeakPolarHBondContact CA-O 3.34Å; E575-L627 HydrophobicContact CB-CB 4.45Å; E575-L627 PolarHBondContact N-O 2.91Å; E575-L627 PolarHBondContact O-N 2.97Å; A609-L627 HydrophobicContact CB-CD1 4.44Å; F610-L627 HydrophobicContact CD1-CD1 3.91Å; F610-L627 HydrophobicContact CE1-CD1 3.53Å; F610-L627 HydrophobicContact CZ-CD1 4.15Å; L627-K629 VanDerWaalsContact CD1-O 3.25Å; L627-K629 WeakPolarHBondContact CD1-O 3.48Å; L627-K629 WeakPolarHBondContact CG-O 3.38Å; L627-L631 HydrophobicContact CD1-CD1 3.85Å; L627-L631 HydrophobicContact CD1-CG 4.12Å
628	V	90.6	Very high	88.7	Confident	45 Å²	45	49.9 Å²	49.9	27%	0.273	27%	0.271	S	S	.	.			trans	-124.5	-5.6	179.1	-66.7	0	0	0	0	113.1	P574 A609 D611 R626	P574-V628 HydrophobicContact CB-CG1 4.19Å; P574-V628 HydrophobicContact CG-CG1 4.31Å; A609-V628 VanDerWaalsContact O-CG2 3.26Å; A609-V628 WeakPolarHBondContact O-CG2 3.41Å; A609-V628 PolarHBondContact O-N 2.04Å; D611-V628 HydrophobicContact CB-CG1 4.02Å; D611-V628 HydrophobicContact CB-CG2 4.43Å; R626-V628 HydrophobicContact CB-CG1 4.43Å
629	K	88.4	Confident	89.1	Confident	94 Å²	94	42 Å²	42	41%	0.409	23%	0.229	S	C	.	.	S	Bend	trans	-139.4	146.4	170.4	-57.9	-179.1	-176.3	178.9	0	109.2	E607 N608 A609 L627	E607-K629 PolarHBondContact O-NZ 3.01Å; N608-K629 WeakPolarHBondContact O-CD 3.04Å; N608-K629 WeakPolarHBondContact O-CE 3.41Å; A609-K629 HydrophobicContact CB-CB 4.11Å; A609-K629 PolarHBondContact O-N 3.17Å; L627-K629 VanDerWaalsContact CD1-O 3.25Å; L627-K629 WeakPolarHBondContact CD1-O 3.48Å; L627-K629 WeakPolarHBondContact CG-O 3.38Å
630	P	86.3	Confident	89.6	Confident	60 Å²	60	43.2 Å²	43.2	39%	0.39	23%	0.226	S	C	.	.			trans	-62.2	144.8	172.7	26.6	-31.1	0	0	0	110.4	L568 F571	L568-P630 HydrophobicContact CB-CB 4.29Å; L568-P630 VanDerWaalsContact O-CB 3.24Å; L568-P630 WeakPolarHBondContact O-CB 3.04Å; F571-P630 HydrophobicContact CB-CB 4.09Å; F571-P630 HydrophobicContact CB-CG 4Å
631	L	86.5	Confident	89.9	Confident	9 Å²	9	41.2 Å²	41.2	5%	0.047	21%	0.214	C	C	.	.			trans	-110.5	127.1	170.8	-74.7	170.7	0	0	0	109.2	I606 A609 F610 L627 V663	I606-L631 HydrophobicContact CG2-CD2 4.31Å; A609-L631 HydrophobicContact CB-CD2 3.86Å; A609-L631 HydrophobicContact CB-CG 4.16Å; F610-L631 HydrophobicContact CE1-CD1 4.3Å; F610-L631 HydrophobicContact CE2-CD1 4.15Å; F610-L631 HydrophobicContact CZ-CD1 3.57Å; L627-L631 HydrophobicContact CD1-CD1 3.85Å; L627-L631 HydrophobicContact CD1-CG 4.12Å; L631-V663 HydrophobicContact CB-CG1 4.35Å; L631-V663 HydrophobicContact CB-CG2 4.14Å; L631-V663 HydrophobicContact CD1-CG2 4.19Å
632	T	86.7	Confident	90.1	Very high	99 Å²	99	39.4 Å²	39.4	61%	0.607	21%	0.207	S	C	*	.			trans	-91.3	126.6	169.6	-42	0	0	0	0	109.1	T567	T567-T632 HydrophobicContact CG2-CG2 4.02Å
633	G	84.9	Confident	90.2	Very high	16 Å²	16	40.7 Å²	40.7	17%	0.165	21%	0.213	C	C	.	.	S	Bend	trans	-91.2	-171.9	171.5	0	0	0	0	0	113.3	T567 S664	T567-G633 PolarHBondContact OG1-N 2.86Å; G633-S664 WeakPolarHBondContact CA-O 3.22Å
634	P	89.5	Confident	90	Very high	99 Å²	99	43 Å²	43	64%	0.643	22%	0.222	S	C	*	.	S	Bend	cis	-68.6	128.5	-6.5	28.7	-33.3	0	0	0	110.8	V663 E665	P634-V663 WeakPolarHBondContact CA-O 3.06Å; P634-E665 HydrophobicContact CB-CB 4.34Å; P634-E665 HydrophobicContact CG-CB 4.41Å
635	R	88.1	Confident	89.7	Confident	91 Å²	91	45 Å²	45	34%	0.343	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	145.1	-173.6	-155.9	169.9	-167.8	174	1.3	112.5	I606 E607 V663	I606-R635 VanDerWaalsContact CG2-CZ 3.45Å; I606-R635 VanDerWaalsContact CG2-NH2 3.34Å; E607-R635 IonicContact OE1-CZ 2.75Å; E607-R635 IonicContact OE1-NH1 2.83Å; E607-R635 PolarHBondContact OE1-NH1 3.3Å; E607-R635 IonicContact OE1-NH2 3.66Å; E607-R635 PolarHBondContact OE1-NH2 3.26Å; E607-R635 IonicContact OE2-NH1 2.68Å; R635-V663 HydrophobicContact CB-CB 4.24Å; R635-V663 PolarHBondContact N-O 2.81Å; R635-V663 PolarHBondContact O-N 2.85Å
636	E	89.1	Confident	89.2	Confident	106 Å²	106	47.4 Å²	47.4	50%	0.495	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.6	178.7	-173.2	172.7	142.3	0	0	109.3	R511 I661 F662	R511-E636 IonicContact NE-OE2 3.68Å; E636-I661 WeakPolarHBondContact CA-O 3.33Å; E636-F662 HydrophobicContact CB-CD1 4.39Å; E636-F662 HydrophobicContact CG-CD1 3.77Å; E636-F662 HydrophobicContact CG-CE1 3.63Å; E636-F662 HydrophobicContact CG-CZ 4.47Å; E636-F662 VanDerWaalsContact OE2-CE1 3.31Å; E636-F662 WeakPolarHBondContact OE2-CE1 3.05Å
637	T	89.6	Confident	88.5	Confident	21 Å²	21	46.5 Å²	46.5	13%	0.129	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	158.1	176.3	-164.8	0	0	0	0	112.6	I606 I661	I606-T637 HydrophobicContact CD1-CG2 4.16Å; I606-T637 WeakPolarHBondContact CD1-OG1 3.37Å; T637-I661 HydrophobicContact CG2-CB 3.98Å; T637-I661 PolarHBondContact N-O 2.95Å; T637-I661 PolarHBondContact O-N 2.04Å
638	I	91.6	Very high	87.5	Confident	80 Å²	80	51.4 Å²	51.4	41%	0.41	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	99.5	177.5	-49.8	-179.5	0	0	0	108.1	G604 K640 N658 V659	G604-I638 WeakPolarHBondContact CA-O 3.07Å; I638-K640 PolarHBondContact O-N 3.13Å; I638-N658 HydrophobicContact CG2-CB 4.06Å; I638-V659 CarbonylContact C-O 3.58Å; I638-V659 WeakPolarHBondContact CA-O 3.37Å
639	L	93.2	Very high	86.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	111.1	177.4	-172.9	70.4	0	0	0	109	I601 N605 F610 V625 L641 V659 I661	I601-L639 HydrophobicContact CG2-CD1 3.54Å; I601-L639 HydrophobicContact CG2-CG 4.27Å; N605-L639 HydrophobicContact CB-CD1 4.17Å; F610-L639 HydrophobicContact CB-CD1 4.37Å; F610-L639 HydrophobicContact CB-CD2 4.03Å; F610-L639 HydrophobicContact CD1-CD2 4.13Å; F610-L639 HydrophobicContact CD2-CD1 3.77Å; F610-L639 HydrophobicContact CD2-CD2 3.96Å; F610-L639 HydrophobicContact CD2-CG 4.44Å; F610-L639 HydrophobicContact CE2-CD1 4.41Å; F610-L639 HydrophobicContact CE2-CD2 4.46Å; F610-L639 HydrophobicContact CG-CD1 4.25Å; F610-L639 HydrophobicContact CG-CD2 3.77Å; V625-L639 HydrophobicContact CG1-CD2 3.85Å; L639-L641 HydrophobicContact CD2-CD2 4Å; L639-L641 HydrophobicContact CG-CD2 3.9Å; L639-L641 HydrophobicContact CG-CG 4.45Å; L639-V659 HydrophobicContact CB-CB 4.32Å; L639-V659 PolarHBondContact N-O 2.82Å; L639-V659 PolarHBondContact O-N 2.74Å; L639-I661 HydrophobicContact CB-CD1 4.07Å; L639-I661 HydrophobicContact CD2-CD1 4.27Å
640	K	94.3	Very high	85.4	Confident	52 Å²	52	55.6 Å²	55.6	23%	0.226	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	111.6	-174.1	-173.8	-174	-171.2	179.9	0	110	L602 E603 I638 I656	L602-K640 HydrophobicContact CB-CD 4.31Å; L602-K640 HydrophobicContact CB-CG 4.33Å; L602-K640 WeakPolarHBondContact CB-O 3.21Å; L602-K640 HydrophobicContact CD1-CD 4.45Å; L602-K640 HydrophobicContact CD1-CG 4.35Å; L602-K640 PolarHBondContact N-O 2.93Å; E603-K640 HydrophobicContact CB-CB 4Å; E603-K640 HydrophobicContact CB-CD 3.94Å; E603-K640 VanDerWaalsContact CD-CD 3.48Å; E603-K640 HydrophobicContact CG-CD 4.12Å; E603-K640 PolarHBondContact N-O 2.71Å; E603-K640 PolarHBondContact O-N 3.49Å; E603-K640 IonicContact OE1-NZ 3.42Å; E603-K640 PolarHBondContact OE1-NZ 2.95Å; E603-K640 WeakPolarHBondContact OE2-CD 3.11Å; E603-K640 WeakPolarHBondContact OE2-CE 3.13Å; E603-K640 IonicContact OE2-NZ 2.68Å; E603-K640 PolarHBondContact OE2-NZ 2.9Å; I638-K640 PolarHBondContact O-N 3.13Å; K640-I656 HydrophobicContact CG-CG2 4.09Å
641	L	94.1	Very high	84.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	151.1	-173.9	-53.3	173.6	0	0	0	111.3	L580 E600 I601 I612 V625 L639 I656 I657 V659	L580-L641 HydrophobicContact CD1-CB 4.24Å; L580-L641 HydrophobicContact CD1-CD1 4.05Å; L580-L641 HydrophobicContact CD2-CD1 4.35Å; L580-L641 HydrophobicContact CG-CD1 4.5Å; E600-L641 WeakPolarHBondContact O-CA 3.33Å; I601-L641 HydrophobicContact CB-CD2 4.27Å; I601-L641 HydrophobicContact CG1-CD2 3.77Å; I601-L641 HydrophobicContact CG2-CD2 4.23Å; I612-L641 HydrophobicContact CD1-CD2 4.42Å; V625-L641 HydrophobicContact CG2-CD1 3.56Å; V625-L641 HydrophobicContact CG2-CD2 4.22Å; L639-L641 HydrophobicContact CD2-CD2 4Å; L639-L641 HydrophobicContact CG-CD2 3.9Å; L639-L641 HydrophobicContact CG-CG 4.45Å; L641-I656 WeakPolarHBondContact O-CA 3.44Å; L641-I657 HydrophobicContact CB-CB 4.27Å; L641-I657 PolarHBondContact N-O 2.97Å; L641-I657 PolarHBondContact O-N 3.16Å; L641-V659 HydrophobicContact CD1-CG2 3.59Å; L641-V659 HydrophobicContact CG-CG2 4.31Å
642	S	92.4	Very high	83.8	Confident	1 Å²	1	60 Å²	60	1%	0.007	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132	174.9	-173.8	0	0	0	0	110.7	F599 E600 R644 Q654	F599-S642 WeakPolarHBondContact CA-O 3.36Å; E600-S642 PolarHBondContact N-O 2.85Å; E600-S642 PolarHBondContact O-N 2.87Å; S642-R644 WeakPolarHBondContact OG-CG 3.4Å; S642-Q654 WeakPolarHBondContact OG-CG 3.4Å; S642-Q654 PolarHBondContact OG-NE2 2.88Å; S642-Q654 VanDerWaalsContact OG-NE2 3.11Å
643	M	91.4	Very high	83.5	Confident	26 Å²	26	55.5 Å²	55.5	13%	0.128	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	109	170	-178.7	-179.9	80.6	0	0	108	T582 V597 F599 Q654 S655 I657	T582-M643 HydrophobicContact CG2-CG 4.38Å; T582-M643 HydrophobicContact CG2-SD 3.67Å; V597-M643 HydrophobicContact CG1-CG 3.76Å; F599-M643 HydrophobicContact CD1-CB 4.21Å; F599-M643 HydrophobicContact CD1-CG 3.95Å; F599-M643 HydrophobicContact CE1-CB 4.34Å; F599-M643 HydrophobicContact CE1-CG 3.64Å; F599-M643 HydrophobicContact CE1-SD 3.91Å; M643-Q654 CarbonylContact O-C 3.56Å; M643-Q654 WeakPolarHBondContact O-CA 3.44Å; M643-S655 PolarHBondContact N-O 3.18Å; M643-S655 PolarHBondContact O-N 2.94Å; M643-I657 HydrophobicContact CB-CD1 4.15Å
644	R	89.1	Confident	83.7	Confident	48 Å²	48	56 Å²	56	18%	0.181	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.7	-176	-64.4	-162.9	-92.6	176.4	-7.3	111.8	V597 K598 E600 S642 E651 Q654	V597-R644 WeakPolarHBondContact CA-O 3.36Å; K598-R644 HydrophobicContact CB-CB 4.42Å; K598-R644 PolarHBondContact N-O 3.14Å; K598-R644 PolarHBondContact O-N 3.06Å; E600-R644 IonicContact OE1-NH2 3.76Å; E600-R644 PolarHBondContact OE1-NH2 2.04Å; E600-R644 IonicContact OE2-CZ 3.38Å; E600-R644 IonicContact OE2-NE 3.46Å; E600-R644 PolarHBondContact OE2-NE 2.9Å; E600-R644 IonicContact OE2-NH2 2.74Å; E600-R644 PolarHBondContact OE2-NH2 3.23Å; S642-R644 WeakPolarHBondContact OG-CG 3.4Å; R644-E651 VanDerWaalsContact CD-OE2 3.31Å; R644-E651 WeakPolarHBondContact CD-OE2 3.45Å; R644-E651 IonicContact CZ-OE1 3.62Å; R644-E651 IonicContact CZ-OE2 2.63Å; R644-E651 IonicContact NE-OE1 3.39Å; R644-E651 IonicContact NE-OE2 3.14Å; R644-E651 IonicContact NH1-OE1 3.13Å; R644-E651 PolarHBondContact NH1-OE1 2.84Å; R644-E651 IonicContact NH1-OE2 2.69Å; R644-E651 PolarHBondContact NH1-OE2 3.31Å; R644-Q654 HydrophobicContact CG-CB 4Å; R644-Q654 HydrophobicContact CG-CG 3.85Å
645	N	84.9	Confident	83.7	Confident	43 Å²	43	52 Å²	52	23%	0.23	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	109.5	177.2	-69.6	-9.1	0	0	0	110	S652 G653	N645-S652 VanDerWaalsContact CB-OG 3.23Å; N645-S652 WeakPolarHBondContact CB-OG 3.05Å; N645-S652 PolarHBondContact O-N 3.11Å; N645-S652 PolarHBondContact O-OG 2.69Å; N645-G653 PolarHBondContact N-O 3.29Å
646	L	82.3	Confident	83.9	Confident	50 Å²	50	48.9 Å²	48.9	26%	0.262	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	142.8	177.5	-54.9	-178.8	0	0	0	110.9	D596 K598 E651	D596-L646 HydrophobicContact CB-CB 4.25Å; D596-L646 HydrophobicContact CB-CD1 4.49Å; D596-L646 PolarHBondContact N-O 2.04Å; D596-L646 VanDerWaalsContact N-O 3.09Å; D596-L646 WeakPolarHBondContact O-CB 3.3Å; D596-L646 PolarHBondContact O-N 3.4Å; K598-L646 HydrophobicContact CB-CD1 4.19Å; K598-L646 HydrophobicContact CB-CG 4.39Å; L646-E651 HydrophobicContact CD2-CG 3.97Å
647	T	75.8	Confident	84	Confident	36 Å²	36	44.6 Å²	44.6	22%	0.221	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	169.1	175.5	71.8	0	0	0	0	110.4	Y595 Q649 G650	Y595-T647 HydrophobicContact CD1-CG2 3.86Å; Y595-T647 HydrophobicContact CE1-CG2 3.78Å; T647-Q649 PolarHBondContact O-N 2.95Å; T647-Q649 PolarHBondContact OG1-N 3.35Å; T647-G650 PolarHBondContact N-O 3.43Å; T647-G650 PolarHBondContact O-N 3.3Å; T647-G650 VanDerWaalsContact O-N 3.1Å; T647-G650 PolarHBondContact OG1-N 2.83Å; T647-G650 PolarHBondContact OG1-O 3.35Å
648	T	68.8	Low	84.1	Confident	103 Å²	103	44.6 Å²	44.6	63%	0.632	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-5.2	175.4	54.1	0	0	0	0	114.7
649	Q	66.4	Low	84	Confident	192 Å²	192	40.8 Å²	40.8	90%	0.897	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-1.3	175.4	-65.1	-176	-8.8	0	0	113.6	T647	T647-Q649 PolarHBondContact O-N 2.95Å; T647-Q649 PolarHBondContact OG1-N 3.35Å
650	G	68.1	Low	83.8	Confident	36 Å²	36	41.5 Å²	41.5	37%	0.371	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	128.1	-162.7	-177.4	0	0	0	0	0	113.4	T647	T647-G650 PolarHBondContact N-O 3.43Å; T647-G650 PolarHBondContact O-N 3.3Å; T647-G650 VanDerWaalsContact O-N 3.1Å; T647-G650 PolarHBondContact OG1-N 2.83Å; T647-G650 PolarHBondContact OG1-O 3.35Å
651	E	67.1	Low	83.5	Confident	98 Å²	98	39 Å²	39	46%	0.458	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	123.8	177.4	-50.4	-161.6	148.7	0	0	110.2	R644 L646	R644-E651 VanDerWaalsContact CD-OE2 3.31Å; R644-E651 WeakPolarHBondContact CD-OE2 3.45Å; R644-E651 IonicContact CZ-OE1 3.62Å; R644-E651 IonicContact CZ-OE2 2.63Å; R644-E651 IonicContact NE-OE1 3.39Å; R644-E651 IonicContact NE-OE2 3.14Å; R644-E651 IonicContact NH1-OE1 3.13Å; R644-E651 PolarHBondContact NH1-OE1 2.84Å; R644-E651 IonicContact NH1-OE2 2.69Å; R644-E651 PolarHBondContact NH1-OE2 3.31Å; L646-E651 HydrophobicContact CD2-CG 3.97Å
652	S	72	Confident	83.3	Confident	64 Å²	64	39.3 Å²	39.3	45%	0.448	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-10.1	-178.3	59.6	0	0	0	0	114.1	N645	N645-S652 VanDerWaalsContact CB-OG 3.23Å; N645-S652 WeakPolarHBondContact CB-OG 3.05Å; N645-S652 PolarHBondContact O-N 3.11Å; N645-S652 PolarHBondContact O-OG 2.69Å
653	G	81	Confident	83.2	Confident	3 Å²	3	39.7 Å²	39.7	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.4	156.3	177.5	0	0	0	0	0	112.7	P554 N645	P554-G653 CarbonylContact O-C 3.54Å; P554-G653 WeakPolarHBondContact O-CA 3.39Å; N645-G653 PolarHBondContact N-O 3.29Å
654	Q	88.6	Confident	83.1	Confident	28 Å²	28	38.9 Å²	38.9	13%	0.131	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	149.4	179.2	179.6	168.6	-28.2	0	0	109.9	P554 T555 L556 S642 M643 R644 I656	P554-Q654 PolarHBondContact O-N 3.36Å; T555-Q654 CarbonylContact C-O 3.29Å; T555-Q654 WeakPolarHBondContact CA-O 3.49Å; L556-Q654 PolarHBondContact N-O 3.49Å; S642-Q654 WeakPolarHBondContact OG-CG 3.4Å; S642-Q654 PolarHBondContact OG-NE2 2.88Å; S642-Q654 VanDerWaalsContact OG-NE2 3.11Å; M643-Q654 CarbonylContact O-C 3.56Å; M643-Q654 WeakPolarHBondContact O-CA 3.44Å; R644-Q654 HydrophobicContact CG-CB 4Å; R644-Q654 HydrophobicContact CG-CG 3.85Å; Q654-I656 HydrophobicContact CG-CG1 4.36Å
655	S	90.4	Very high	83	Confident	13 Å²	13	42.6 Å²	42.6	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	140	156.9	-64.6	0	0	0	0	109.5	S557 M643	S557-S655 CarbonylContact O-C 3.54Å; S557-S655 VanDerWaalsContact O-CA 3.25Å; S557-S655 WeakPolarHBondContact O-CA 3.25Å; S557-S655 PolarHBondContact OG-OG 2.61Å; M643-S655 PolarHBondContact N-O 3.18Å; M643-S655 PolarHBondContact O-N 2.94Å
656	I	92	Very high	83	Confident	27 Å²	27	42.5 Å²	42.5	14%	0.138	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.1	177	-62.9	174.6	0	0	0	107.9	T555 S557 V558 A559 K640 L641 Q654	T555-I656 HydrophobicContact CG2-CD1 3.85Å; T555-I656 HydrophobicContact CG2-CG1 4.01Å; S557-I656 PolarHBondContact O-N 2.83Å; V558-I656 CarbonylContact C-O 3.48Å; V558-I656 WeakPolarHBondContact CA-O 3.47Å; A559-I656 PolarHBondContact N-O 3.45Å; K640-I656 HydrophobicContact CG-CG2 4.09Å; L641-I656 WeakPolarHBondContact O-CA 3.44Å; Q654-I656 HydrophobicContact CG-CG1 4.36Å
657	I	91.3	Very high	83	Confident	15 Å²	15	46.4 Å²	46.4	8%	0.077	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	113.9	177.9	-53.4	91.1	0	0	0	108.1	A559 L580 L641 M643 V659	A559-I657 HydrophobicContact CB-CG1 4.32Å; A559-I657 HydrophobicContact CB-CG2 4.32Å; A559-I657 WeakPolarHBondContact O-CA 3.45Å; L580-I657 HydrophobicContact CD1-CD1 4.21Å; L580-I657 HydrophobicContact CD2-CB 4.28Å; L580-I657 HydrophobicContact CD2-CD1 4.09Å; L580-I657 HydrophobicContact CD2-CG1 4.04Å; L580-I657 HydrophobicContact CD2-CG2 4.21Å; L641-I657 HydrophobicContact CB-CB 4.27Å; L641-I657 PolarHBondContact N-O 2.97Å; L641-I657 PolarHBondContact O-N 3.16Å; M643-I657 HydrophobicContact CB-CD1 4.15Å; I657-V659 HydrophobicContact CG2-CG2 4.04Å
658	N	91	Very high	83	Confident	22 Å²	22	47 Å²	47	12%	0.118	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	101.7	178.5	-59.1	-48.3	0	0	0	108.2	A559 H560 T561 I638	A559-N658 PolarHBondContact O-N 3.2Å; H560-N658 WeakPolarHBondContact CA-O 3.49Å; H560-N658 PolarHBondContact CE1-ND2 2.85Å; H560-N658 WeakPolarHBondContact ND1-CB 3.46Å; H560-N658 PolarHBondContact NE2-ND2 2.92Å; T561-N658 PolarHBondContact N-O 2.76Å; I638-N658 HydrophobicContact CG2-CB 4.06Å
659	V	89.9	Confident	83.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	107.3	179.3	-171.3	0	0	0	0	108.6	F563 V578 I638 L639 L641 I657 I661	F563-V659 HydrophobicContact CD2-CG1 3.49Å; F563-V659 VanDerWaalsContact CD2-CG1 3.49Å; F563-V659 HydrophobicContact CE2-CG1 3.86Å; V578-V659 HydrophobicContact CG1-CG2 4.41Å; V578-V659 HydrophobicContact CG2-CG1 4.04Å; V578-V659 HydrophobicContact CG2-CG2 4.39Å; I638-V659 CarbonylContact C-O 3.58Å; I638-V659 WeakPolarHBondContact CA-O 3.37Å; L639-V659 HydrophobicContact CB-CB 4.32Å; L639-V659 PolarHBondContact N-O 2.82Å; L639-V659 PolarHBondContact O-N 2.74Å; L641-V659 HydrophobicContact CD1-CG2 3.59Å; L641-V659 HydrophobicContact CG-CG2 4.31Å; I657-V659 HydrophobicContact CG2-CG2 4.04Å; V659-I661 HydrophobicContact CG1-CD1 4.19Å; V659-I661 HydrophobicContact CG1-CG1 3.83Å
660	H	88.9	Confident	84.7	Confident	14 Å²	14	36.4 Å²	36.4	7%	0.065	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	122.7	172.1	-56.6	-91	0	0	0	108.8	F515 H560 T561 F562 F563 F662	F515-H660 AromaticContact CE1-CE1 3.66Å; F515-H660 AromaticContact CE1-NE2 3.37Å; F515-H660 WeakPolarHBondContact CE1-NE2 3.29Å; F515-H660 AromaticContact CZ-CE1 3.64Å; F515-H660 AromaticContact CZ-NE2 3.3Å; F515-H660 VanDerWaalsContact CZ-NE2 3.3Å; F515-H660 WeakPolarHBondContact CZ-NE2 3.49Å; H560-H660 AromaticContact CG-NE2 3.91Å; H560-H660 AromaticContact ND1-CE1 3.94Å; H560-H660 AromaticContact ND1-NE2 3.2Å; H560-H660 PolarHBondContact ND1-NE2 2.78Å; H560-H660 VanDerWaalsContact ND1-NE2 3.2Å; T561-H660 PolarHBondContact O-N 2.95Å; F562-H660 HydrophobicContact CD1-CB 3.79Å; F562-H660 AromaticContact CD1-CD2 3.65Å; F562-H660 AromaticContact CD1-CG 3.98Å; F562-H660 HydrophobicContact CE1-CB 4.11Å; F562-H660 AromaticContact CE1-CD2 3.12Å; F562-H660 WeakPolarHBondContact CE1-CD2 3.49Å; F562-H660 AromaticContact CE1-CG 3.77Å; F562-H660 AromaticContact CE1-NE2 3.6Å; F562-H660 AromaticContact CZ-CD2 3.68Å; F562-H660 AromaticContact CZ-NE2 3.97Å; F563-H660 PolarHBondContact N-O 3.28Å; H660-F662 HydrophobicContact CB-CE2 3.98Å; H660-F662 HydrophobicContact CB-CZ 4.42Å
661	I	88.8	Confident	85.6	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.8	-175	-56	175.7	0	0	0	108.6	F563 L565 I577 F610 E636 T637 L639 V659 V663	F563-I661 WeakPolarHBondContact O-CA 3.22Å; L565-I661 HydrophobicContact CD1-CG2 3.82Å; L565-I661 HydrophobicContact CG-CG2 4.4Å; I577-I661 HydrophobicContact CD1-CD1 4.42Å; F610-I661 HydrophobicContact CE1-CD1 3.74Å; F610-I661 HydrophobicContact CE2-CD1 4.14Å; F610-I661 HydrophobicContact CZ-CD1 3.44Å; F610-I661 VanDerWaalsContact CZ-CD1 3.44Å; E636-I661 WeakPolarHBondContact CA-O 3.33Å; T637-I661 HydrophobicContact CG2-CB 3.98Å; T637-I661 PolarHBondContact N-O 2.95Å; T637-I661 PolarHBondContact O-N 2.04Å; L639-I661 HydrophobicContact CB-CD1 4.07Å; L639-I661 HydrophobicContact CD2-CD1 4.27Å; V659-I661 HydrophobicContact CG1-CD1 4.19Å; V659-I661 HydrophobicContact CG1-CG1 3.83Å; I661-V663 HydrophobicContact CG2-CG2 4.35Å
662	F	89.9	Confident	86.7	Confident	5 Å²	5	32.8 Å²	32.8	2%	0.022	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.8	176.8	-56.6	-90.9	0	0	0	109.6	I506 R511 L513 F562 F563 S564 L565 E636 H660	I506-F662 HydrophobicContact CB-CB 4.32Å; I506-F662 HydrophobicContact CD1-CB 4.21Å; I506-F662 HydrophobicContact CD1-CD1 4.32Å; I506-F662 HydrophobicContact CD1-CG 4.41Å; I506-F662 HydrophobicContact CG2-CB 4Å; I506-F662 HydrophobicContact CG2-CD1 4.47Å; I506-F662 HydrophobicContact CG2-CD2 3.83Å; I506-F662 HydrophobicContact CG2-CE2 4.46Å; I506-F662 HydrophobicContact CG2-CG 3.85Å; R511-F662 HydrophobicContact CG-CD1 4.18Å; R511-F662 HydrophobicContact CG-CE1 3.71Å; R511-F662 HydrophobicContact CG-CZ 4.08Å; L513-F662 HydrophobicContact CD1-CZ 4.19Å; F562-F662 HydrophobicContact CD1-CE2 4.36Å; F563-F662 PolarHBondContact O-N 3.33Å; S564-F662 CarbonylContact C-O 3.59Å; S564-F662 VanDerWaalsContact CA-O 3.26Å; S564-F662 WeakPolarHBondContact CA-O 3.27Å; S564-F662 PolarHBondContact OG-O 2.04Å; L565-F662 PolarHBondContact N-O 3.21Å; E636-F662 HydrophobicContact CB-CD1 4.39Å; E636-F662 HydrophobicContact CG-CD1 3.77Å; E636-F662 HydrophobicContact CG-CE1 3.63Å; E636-F662 HydrophobicContact CG-CZ 4.47Å; E636-F662 VanDerWaalsContact OE2-CE1 3.31Å; E636-F662 WeakPolarHBondContact OE2-CE1 3.05Å; H660-F662 HydrophobicContact CB-CE2 3.98Å; H660-F662 HydrophobicContact CB-CZ 4.42Å
663	V	89.3	Confident	87.6	Confident	9 Å²	9	30.8 Å²	30.8	6%	0.055	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.9	177.7	-170.5	0	0	0	0	109	L565 L631 P634 R635 I661	L565-V663 CarbonylContact O-C 3.49Å; L565-V663 VanDerWaalsContact O-CA 3.3Å; L565-V663 WeakPolarHBondContact O-CA 3.41Å; L631-V663 HydrophobicContact CB-CG1 4.35Å; L631-V663 HydrophobicContact CB-CG2 4.14Å; L631-V663 HydrophobicContact CD1-CG2 4.19Å; P634-V663 WeakPolarHBondContact CA-O 3.06Å; R635-V663 HydrophobicContact CB-CB 4.24Å; R635-V663 PolarHBondContact N-O 2.81Å; R635-V663 PolarHBondContact O-N 2.85Å; I661-V663 HydrophobicContact CG2-CG2 4.35Å
664	S	88.9	Confident	88	Confident	10 Å²	10	32.7 Å²	32.7	7%	0.07	15%	0.15	C	C	.	.			trans	-65.8	155.5	175.9	-177.4	0	0	0	0	111.9	Y475 Q507 L565 T567 G633 F666	Y475-S664 PolarHBondContact OH-OG 3.06Å; Y475-S664 VanDerWaalsContact OH-OG 3.11Å; Q507-S664 VanDerWaalsContact O-CB 3.31Å; Q507-S664 WeakPolarHBondContact O-CB 3.39Å; Q507-S664 PolarHBondContact O-OG 2.84Å; L565-S664 PolarHBondContact O-N 3.39Å; T567-S664 PolarHBondContact OG1-O 2.91Å; G633-S664 WeakPolarHBondContact CA-O 3.22Å; S664-F666 PolarHBondContact O-N 3.08Å; S664-F666 PolarHBondContact OG-N 2.96Å; S664-F666 VanDerWaalsContact OG-N 3.09Å
665	E	87.1	Confident	88	Confident	125 Å²	125	33 Å²	33	58%	0.584	15%	0.151	S	C	*	.	S	Bend	trans	-64.1	-28.3	165.9	-175.2	175.9	163.8	0	0	111.7	P634	P634-E665 HydrophobicContact CB-CB 4.34Å; P634-E665 HydrophobicContact CG-CB 4.41Å
666	F	86.4	Confident	87.8	Confident	41 Å²	41	34.5 Å²	34.5	18%	0.18	16%	0.156	C	C	.	.	S	Bend	trans	-96.2	157.2	-175.4	-54.5	-71	0	0	0	112.5	Y457 P471 Y475 P566 T567 S664 F668	Y457-F666 HydrophobicContact CD2-CD1 4.16Å; Y457-F666 AromaticContact CD2-CE1 3.95Å; Y457-F666 HydrophobicContact CD2-CE1 3.95Å; Y457-F666 HydrophobicContact CE2-CD1 4.38Å; Y457-F666 AromaticContact CE2-CE1 3.74Å; Y457-F666 HydrophobicContact CE2-CE1 3.74Å; P471-F666 HydrophobicContact CB-CE2 4.1Å; P471-F666 HydrophobicContact CB-CZ 3.92Å; P471-F666 HydrophobicContact CG-CD1 4.08Å; P471-F666 HydrophobicContact CG-CD2 4.2Å; P471-F666 HydrophobicContact CG-CE1 3.66Å; P471-F666 HydrophobicContact CG-CE2 3.77Å; P471-F666 HydrophobicContact CG-CG 4.34Å; P471-F666 HydrophobicContact CG-CZ 3.49Å; P471-F666 VanDerWaalsContact CG-CZ 3.49Å; Y475-F666 HydrophobicContact CD2-CD2 4.23Å; Y475-F666 HydrophobicContact CD2-CE2 4.5Å; Y475-F666 AromaticContact CE2-CD2 3.48Å; Y475-F666 HydrophobicContact CE2-CD2 3.48Å; Y475-F666 VanDerWaalsContact CE2-CD2 3.48Å; Y475-F666 HydrophobicContact CE2-CE2 4.05Å; Y475-F666 HydrophobicContact CE2-CG 4.3Å; P566-F666 CarbonylContact C-O 3.59Å; P566-F666 WeakPolarHBondContact CA-O 3.44Å; T567-F666 PolarHBondContact N-O 3.35Å; S664-F666 PolarHBondContact O-N 3.08Å; S664-F666 PolarHBondContact OG-N 2.96Å; S664-F666 VanDerWaalsContact OG-N 3.09Å; F666-F668 HydrophobicContact CB-CD1 4.29Å; F666-F668 HydrophobicContact CB-CD2 4.16Å; F666-F668 HydrophobicContact CB-CE1 3.81Å; F666-F668 HydrophobicContact CB-CE2 3.64Å; F666-F668 HydrophobicContact CB-CG 4.48Å; F666-F668 HydrophobicContact CB-CZ 3.47Å; F666-F668 VanDerWaalsContact CB-CZ 3.47Å; F666-F668 HydrophobicContact CD1-CE1 4.1Å; F666-F668 AromaticContact CD1-CZ 3.73Å; F666-F668 HydrophobicContact CD1-CZ 3.73Å; F666-F668 HydrophobicContact CD2-CZ 4.46Å; F666-F668 HydrophobicContact CG-CE1 4.21Å; F666-F668 HydrophobicContact CG-CE2 4.04Å; F666-F668 AromaticContact CG-CZ 3.61Å; F666-F668 HydrophobicContact CG-CZ 3.61Å
667	W	81.1	Confident	87.5	Confident	132 Å²	132	35.2 Å²	35.2	50%	0.5	16%	0.157	S	C	.	.			trans	-98.7	-5.9	-171.3	68.8	-89.8	0	0	0	114.7	S456 P566 T567	S456-W667 PolarHBondContact O-NE1 2.72Å; P566-W667 WeakPolarHBondContact CB-O 3.32Å; T567-W667 VanDerWaalsContact O-CA 3.24Å; T567-W667 WeakPolarHBondContact O-CA 3.46Å; T567-W667 WeakPolarHBondContact O-CB 3.2Å
668	F	77	Confident	87.1	Confident	48 Å²	48	37 Å²	37	21%	0.211	16%	0.164	C	C	.	.			trans	-107	0	-174.3	44.9	-105.8	0	0	0	111.7	S456 P471 Y475 C484 F666	S456-F668 VanDerWaalsContact O-CD1 3.26Å; S456-F668 WeakPolarHBondContact O-CD1 3.41Å; S456-F668 VanDerWaalsContact O-CE1 3.25Å; S456-F668 WeakPolarHBondContact O-CE1 3.22Å; P471-F668 HydrophobicContact CG-CZ 4.09Å; Y475-F668 HydrophobicContact CD1-CD2 4.05Å; Y475-F668 AromaticContact CD1-CE2 3.64Å; Y475-F668 HydrophobicContact CD1-CE2 3.64Å; Y475-F668 HydrophobicContact CD2-CE2 4.28Å; Y475-F668 AromaticContact CE1-CD2 3.72Å; Y475-F668 HydrophobicContact CE1-CD2 3.72Å; Y475-F668 AromaticContact CE1-CE2 3.54Å; Y475-F668 HydrophobicContact CE1-CE2 3.54Å; Y475-F668 HydrophobicContact CE2-CE2 4.18Å; Y475-F668 HydrophobicContact CG-CE2 4.01Å; Y475-F668 AromaticContact CZ-CE2 3.82Å; C484-F668 HydrophobicContact CB-CD2 3.63Å; C484-F668 HydrophobicContact CB-CE2 3.46Å; C484-F668 VanDerWaalsContact CB-CE2 3.46Å; C484-F668 HydrophobicContact CB-CG 4.26Å; C484-F668 HydrophobicContact CB-CZ 3.96Å; F666-F668 HydrophobicContact CB-CD1 4.29Å; F666-F668 HydrophobicContact CB-CD2 4.16Å; F666-F668 HydrophobicContact CB-CE1 3.81Å; F666-F668 HydrophobicContact CB-CE2 3.64Å; F666-F668 HydrophobicContact CB-CG 4.48Å; F666-F668 HydrophobicContact CB-CZ 3.47Å; F666-F668 VanDerWaalsContact CB-CZ 3.47Å; F666-F668 HydrophobicContact CD1-CE1 4.1Å; F666-F668 AromaticContact CD1-CZ 3.73Å; F666-F668 HydrophobicContact CD1-CZ 3.73Å; F666-F668 HydrophobicContact CD2-CZ 4.46Å; F666-F668 HydrophobicContact CG-CE1 4.21Å; F666-F668 HydrophobicContact CG-CE2 4.04Å; F666-F668 AromaticContact CG-CZ 3.61Å; F666-F668 HydrophobicContact CG-CZ 3.61Å

Retrieved 668 of 668 residues in 643.8 ms (Link to these results)

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