A0A5K4EZ05_SCHMA Loading...

Lactadherin

AlphaFold DB , UniProt , Accession A0A5K4EZ05, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 680 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.7	Low	71	Confident	199 Å²	199	130.5 Å²	130.5	98%	0.98	64%	0.635	S	S	*	*				0	-51.6	0	-80.1	-178.2	-160.1	0	0	114.2	S3 L4 L5	M1-S3 PolarHBondContact O-N 3.28Å; M1-L4 PolarHBondContact O-N 3.31Å; M1-L5 PolarHBondContact O-N 3.02Å
2	K	60.6	Low	72.2	Confident	191 Å²	191	130.4 Å²	130.4	83%	0.83	63%	0.629	S	S	*	*	H	α-helix	trans	-60	-35.4	-176.7	-71.8	-176.7	176.5	-179.7	0	115.3	Y6	K2-Y6 PolarHBondContact O-N 3.27Å
3	S	62.1	Low	73	Confident	84 Å²	84	125.2 Å²	125.2	59%	0.587	61%	0.607	S	S	*	*	H	α-helix	trans	-69.8	-36.5	177.2	161	0	0	0	0	113.5	M1 Y6 H7	M1-S3 PolarHBondContact O-N 3.28Å; S3-Y6 PolarHBondContact O-N 3.38Å; S3-H7 PolarHBondContact O-N 3.26Å; S3-H7 VanDerWaalsContact O-N 3.1Å
4	L	64.2	Low	73.7	Confident	122 Å²	122	124.4 Å²	124.4	64%	0.639	60%	0.603	S	S	*	*	H	α-helix	trans	-68.6	-37.5	176.6	-90.2	137.4	0	0	0	112.4	M1 N8	M1-L4 PolarHBondContact O-N 3.31Å; L4-N8 PolarHBondContact O-N 3.1Å
5	L	69	Low	74.5	Confident	125 Å²	125	122 Å²	122	65%	0.654	59%	0.593	S	S	*	*	H	α-helix	trans	-65.1	-38.5	174.5	-84.1	153.1	0	0	0	112.1	M1 Y9	M1-L5 PolarHBondContact O-N 3.02Å; L5-Y9 WeakPolarHBondContact O-CB 3.41Å; L5-Y9 PolarHBondContact O-N 3.06Å
6	Y	76.5	Confident	75.2	Confident	151 Å²	151	118.6 Å²	118.6	59%	0.592	58%	0.578	S	S	*	*	H	α-helix	trans	-69.6	-40.5	178.2	-167.5	-105.4	0	0	0	112.5	K2 S3 Y9 L10	K2-Y6 PolarHBondContact O-N 3.27Å; S3-Y6 PolarHBondContact O-N 3.38Å; Y6-Y9 PolarHBondContact O-N 2.97Å; Y6-L10 HydrophobicContact CD1-CD1 3.62Å; Y6-L10 HydrophobicContact CE1-CD1 3.28Å; Y6-L10 HydrophobicContact CE1-CG 4.33Å; Y6-L10 PolarHBondContact O-N 3.19Å
7	H	74.2	Confident	75.5	Confident	121 Å²	121	117.8 Å²	117.8	56%	0.56	58%	0.576	S	S	*	*	H	α-helix	trans	-64.8	-41.8	174.4	-92.3	-53.6	0	0	0	112.7	S3 Y9 L10 L11	S3-H7 PolarHBondContact O-N 3.26Å; S3-H7 VanDerWaalsContact O-N 3.1Å; H7-Y9 VanDerWaalsContact C-N 3.32Å; H7-Y9 PolarHBondContact O-N 3.38Å; H7-L10 PolarHBondContact O-N 3.46Å; H7-L11 WeakPolarHBondContact O-CB 3.32Å; H7-L11 PolarHBondContact O-N 3.34Å
8	N	76.3	Confident	75.9	Confident	108 Å²	108	116.8 Å²	116.8	58%	0.578	57%	0.573	S	S	*	*	H	α-helix	trans	-64.6	-36.4	175.3	-79.2	-11.6	0	0	0	112.3	L4 L11 F12	L4-N8 PolarHBondContact O-N 3.1Å; N8-L11 PolarHBondContact O-N 3.49Å; N8-F12 WeakPolarHBondContact O-CB 3.49Å; N8-F12 PolarHBondContact O-N 3.47Å
9	Y	82.2	Confident	76.2	Confident	146 Å²	146	115.7 Å²	115.7	57%	0.573	57%	0.57	S	S	*	*	H	α-helix	trans	-67.1	-41	176	-173.8	-100.7	0	0	0	112.7	L5 Y6 H7 F12 N13	L5-Y9 WeakPolarHBondContact O-CB 3.41Å; L5-Y9 PolarHBondContact O-N 3.06Å; Y6-Y9 PolarHBondContact O-N 2.97Å; H7-Y9 VanDerWaalsContact C-N 3.32Å; H7-Y9 PolarHBondContact O-N 3.38Å; Y9-F12 PolarHBondContact O-N 2.96Å; Y9-N13 WeakPolarHBondContact CD1-ND2 3.04Å; Y9-N13 WeakPolarHBondContact CE1-ND2 3.43Å; Y9-N13 VanDerWaalsContact CZ-ND2 3.29Å; Y9-N13 PolarHBondContact O-N 3Å; Y9-N13 PolarHBondContact O-ND2 3.06Å
10	L	78.8	Confident	76.4	Confident	78 Å²	78	115.2 Å²	115.2	41%	0.408	57%	0.568	S	S	.	*	H	α-helix	trans	-64.4	-42.9	173.9	-91.2	157.4	0	0	0	112.1	Y6 H7 F12 N13 M14	Y6-L10 HydrophobicContact CD1-CD1 3.62Å; Y6-L10 HydrophobicContact CE1-CD1 3.28Å; Y6-L10 HydrophobicContact CE1-CG 4.33Å; Y6-L10 PolarHBondContact O-N 3.19Å; H7-L10 PolarHBondContact O-N 3.46Å; L10-F12 VanDerWaalsContact C-N 3.35Å; L10-N13 PolarHBondContact O-N 3.03Å; L10-M14 WeakPolarHBondContact O-CB 3.44Å; L10-M14 PolarHBondContact O-N 3.34Å
11	L	81	Confident	76.5	Confident	111 Å²	111	114.7 Å²	114.7	58%	0.581	57%	0.568	S	S	*	*	H	α-helix	trans	-64.1	-41.8	177.8	-138.9	98.3	0	0	0	111.4	H7 N8 M14 I15	H7-L11 WeakPolarHBondContact O-CB 3.32Å; H7-L11 PolarHBondContact O-N 3.34Å; N8-L11 PolarHBondContact O-N 3.49Å; L11-M14 PolarHBondContact O-N 2.96Å; L11-I15 HydrophobicContact CD2-CD1 4.38Å; L11-I15 VanDerWaalsContact O-CG1 3.3Å; L11-I15 WeakPolarHBondContact O-CG1 3.3Å; L11-I15 PolarHBondContact O-N 3.44Å
12	F	84.7	Confident	77.6	Confident	129 Å²	129	109.4 Å²	109.4	57%	0.566	54%	0.542	S	S	*	.	H	α-helix	trans	-63.5	-43.7	177.8	-172.1	-104.5	0	0	0	112.1	N8 Y9 L10 I15 I16	N8-F12 WeakPolarHBondContact O-CB 3.49Å; N8-F12 PolarHBondContact O-N 3.47Å; Y9-F12 PolarHBondContact O-N 2.96Å; L10-F12 VanDerWaalsContact C-N 3.35Å; F12-I15 PolarHBondContact O-N 3.37Å; F12-I16 HydrophobicContact CD1-CD1 3.74Å; F12-I16 HydrophobicContact CE1-CD1 3.34Å; F12-I16 HydrophobicContact CE1-CG1 4.36Å; F12-I16 HydrophobicContact CZ-CD1 3.87Å; F12-I16 WeakPolarHBondContact O-CG1 3.38Å; F12-I16 PolarHBondContact O-N 3.32Å
13	N	82.6	Confident	78.4	Confident	63 Å²	63	105.1 Å²	105.1	34%	0.337	53%	0.528	S	S	.	.	H	α-helix	trans	-66.5	-37.2	175.6	-79.1	-44	0	0	0	112.9	Y9 L10 I15 I16 L17	Y9-N13 WeakPolarHBondContact CD1-ND2 3.04Å; Y9-N13 WeakPolarHBondContact CE1-ND2 3.43Å; Y9-N13 VanDerWaalsContact CZ-ND2 3.29Å; Y9-N13 PolarHBondContact O-N 3Å; Y9-N13 PolarHBondContact O-ND2 3.06Å; L10-N13 PolarHBondContact O-N 3.03Å; N13-I15 VanDerWaalsContact C-N 3.35Å; N13-I16 PolarHBondContact O-N 3.01Å; N13-L17 PolarHBondContact O-N 2.98Å
14	M	82.9	Confident	78.9	Confident	113 Å²	113	106.6 Å²	106.6	56%	0.557	53%	0.529	S	S	*	.	H	α-helix	trans	-61.9	-41.7	173.7	-85.7	-64.9	-53.8	0	0	112.1	L10 L11 L17 L18	L10-M14 WeakPolarHBondContact O-CB 3.44Å; L10-M14 PolarHBondContact O-N 3.34Å; L11-M14 PolarHBondContact O-N 2.96Å; M14-L17 PolarHBondContact O-N 3.05Å; M14-L18 PolarHBondContact O-N 2.96Å
15	I	86.1	Confident	79.1	Confident	89 Å²	89	107.5 Å²	107.5	46%	0.456	53%	0.53	S	S	.	.	H	α-helix	trans	-65.5	-41.9	177.2	-69.2	164.8	0	0	0	110.9	L11 F12 N13 L18 L19	L11-I15 HydrophobicContact CD2-CD1 4.38Å; L11-I15 VanDerWaalsContact O-CG1 3.3Å; L11-I15 WeakPolarHBondContact O-CG1 3.3Å; L11-I15 PolarHBondContact O-N 3.44Å; F12-I15 PolarHBondContact O-N 3.37Å; N13-I15 VanDerWaalsContact C-N 3.35Å; I15-L18 PolarHBondContact O-N 3.34Å; I15-L19 HydrophobicContact CG2-CD1 3.95Å; I15-L19 WeakPolarHBondContact O-CB 3.49Å; I15-L19 PolarHBondContact O-N 3.03Å
16	I	84.8	Confident	79.1	Confident	67 Å²	67	106.4 Å²	106.4	34%	0.344	53%	0.525	S	S	.	.	H	α-helix	trans	-61.9	-43.8	175.5	-71.6	175.2	0	0	0	111	F12 N13 L18 L19 L20	F12-I16 HydrophobicContact CD1-CD1 3.74Å; F12-I16 HydrophobicContact CE1-CD1 3.34Å; F12-I16 HydrophobicContact CE1-CG1 4.36Å; F12-I16 HydrophobicContact CZ-CD1 3.87Å; F12-I16 WeakPolarHBondContact O-CG1 3.38Å; F12-I16 PolarHBondContact O-N 3.32Å; N13-I16 PolarHBondContact O-N 3.01Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 2.96Å; I16-L19 PolarHBondContact O-N 3.32Å; I16-L20 HydrophobicContact CG2-CD1 3.93Å; I16-L20 HydrophobicContact CG2-CG 4.46Å; I16-L20 WeakPolarHBondContact O-CG 3.47Å; I16-L20 PolarHBondContact O-N 3.44Å
17	L	81.4	Confident	78.7	Confident	106 Å²	106	102.1 Å²	102.1	56%	0.555	52%	0.517	S	S	*	.	H	α-helix	trans	-62.9	-40.5	178.8	-139.8	98.8	0	0	0	111.6	N13 M14 L20 L21	N13-L17 PolarHBondContact O-N 2.98Å; M14-L17 PolarHBondContact O-N 3.05Å; L17-L20 PolarHBondContact O-N 2.94Å; L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.38Å
18	L	82.8	Confident	78.2	Confident	100 Å²	100	102.7 Å²	102.7	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-65.5	-42.5	177.2	-140.2	99.2	0	0	0	111.7	M14 I15 I16 L21 I22	M14-L18 PolarHBondContact O-N 2.96Å; I15-L18 PolarHBondContact O-N 3.34Å; I16-L18 VanDerWaalsContact C-N 3.32Å; I16-L18 PolarHBondContact O-N 2.96Å; L18-L21 PolarHBondContact O-N 3.41Å; L18-I22 HydrophobicContact CD2-CD1 4.29Å; L18-I22 WeakPolarHBondContact O-CD1 3.3Å; L18-I22 VanDerWaalsContact O-CG1 3.27Å; L18-I22 WeakPolarHBondContact O-CG1 3.38Å; L18-I22 PolarHBondContact O-N 3.38Å
19	L	81.4	Confident	77.6	Confident	96 Å²	96	102.2 Å²	102.2	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-41.4	175.4	-92.6	154.6	0	0	0	112.1	I15 I16 I22 L23	I15-L19 HydrophobicContact CG2-CD1 3.95Å; I15-L19 WeakPolarHBondContact O-CB 3.49Å; I15-L19 PolarHBondContact O-N 3.03Å; I16-L19 PolarHBondContact O-N 3.32Å; L19-I22 PolarHBondContact O-N 3.5Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.45Å; L19-L23 PolarHBondContact O-N 3.31Å
20	L	80.9	Confident	76.5	Confident	104 Å²	104	98.4 Å²	98.4	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-65.3	-37.9	176.3	-73.9	168.6	0	0	0	112.2	I16 L17 L23 N24	I16-L20 HydrophobicContact CG2-CD1 3.93Å; I16-L20 HydrophobicContact CG2-CG 4.46Å; I16-L20 WeakPolarHBondContact O-CG 3.47Å; I16-L20 PolarHBondContact O-N 3.44Å; L17-L20 PolarHBondContact O-N 2.94Å; L20-L23 PolarHBondContact O-N 3.29Å; L20-N24 PolarHBondContact O-N 3.03Å
21	L	78.2	Confident	75.5	Confident	106 Å²	106	97.1 Å²	97.1	56%	0.555	51%	0.507	S	S	*	.	H	α-helix	trans	-65.2	-43.8	174.6	-74.7	164.5	0	0	0	111.8	L17 L18 N24 E25	L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.38Å; L18-L21 PolarHBondContact O-N 3.41Å; L21-N24 PolarHBondContact O-N 2.99Å; L21-E25 PolarHBondContact O-N 3.49Å
22	I	80.1	Confident	74.2	Confident	87 Å²	87	96.1 Å²	96.1	45%	0.446	50%	0.501	S	S	.	.	H	α-helix	trans	-64.5	-41.1	177.6	-66.3	163.8	0	0	0	111.1	L18 L19 N24 E25 L26	L18-I22 HydrophobicContact CD2-CD1 4.29Å; L18-I22 WeakPolarHBondContact O-CD1 3.3Å; L18-I22 VanDerWaalsContact O-CG1 3.27Å; L18-I22 WeakPolarHBondContact O-CG1 3.38Å; L18-I22 PolarHBondContact O-N 3.38Å; L19-I22 PolarHBondContact O-N 3.5Å; I22-N24 VanDerWaalsContact C-N 3.35Å; I22-E25 PolarHBondContact O-N 3Å; I22-L26 HydrophobicContact CG2-CD1 3.93Å; I22-L26 HydrophobicContact CG2-CG 4.47Å; I22-L26 WeakPolarHBondContact O-CB 3.34Å; I22-L26 WeakPolarHBondContact O-CG 3.5Å; I22-L26 PolarHBondContact O-N 3.46Å
23	L	76.6	Confident	72.6	Confident	102 Å²	102	94.8 Å²	94.8	53%	0.534	50%	0.5	S	S	.	.	H	α-helix	trans	-64.7	-38.5	176.5	-74.9	167	0	0	0	112.1	L19 L20 L26 S27	L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.45Å; L19-L23 PolarHBondContact O-N 3.31Å; L20-L23 PolarHBondContact O-N 3.29Å; L23-L26 PolarHBondContact O-N 2.94Å; L23-S27 WeakPolarHBondContact O-CB 3.27Å; L23-S27 PolarHBondContact O-N 2.98Å; L23-S27 PolarHBondContact O-OG 3.43Å
24	N	71.6	Confident	71.1	Confident	114 Å²	114	98.5 Å²	98.5	61%	0.61	52%	0.515	S	S	*	.	H	α-helix	trans	-63.8	-45	174.8	-104.8	-0.4	0	0	0	111.7	L20 L21 I22 S27 F28	L20-N24 PolarHBondContact O-N 3.03Å; L21-N24 PolarHBondContact O-N 2.99Å; I22-N24 VanDerWaalsContact C-N 3.35Å; N24-S27 PolarHBondContact O-N 3.38Å; N24-S27 PolarHBondContact O-OG 2.71Å; N24-F28 PolarHBondContact O-N 3.3Å
25	E	69.8	Low	69.5	Low	141 Å²	141	99.3 Å²	99.3	66%	0.659	52%	0.517	S	S	*	.	H	α-helix	trans	-64.6	-40.7	176.7	-73.7	-142.3	166.1	0	0	112.6	L21 I22 S27 F28 I29	L21-E25 PolarHBondContact O-N 3.49Å; I22-E25 PolarHBondContact O-N 3Å; E25-S27 VanDerWaalsContact C-N 3.32Å; E25-S27 PolarHBondContact O-N 3.06Å; E25-F28 PolarHBondContact O-N 3.23Å; E25-I29 VanDerWaalsContact O-CG1 3.28Å; E25-I29 WeakPolarHBondContact O-CG1 3.46Å; E25-I29 PolarHBondContact O-N 3Å
26	L	69.5	Low	67.8	Low	103 Å²	103	98.8 Å²	98.8	54%	0.539	52%	0.518	S	S	.	.	H	α-helix	trans	-63.1	-38.4	175.3	-73.2	168.7	0	0	0	112.1	I22 L23 I29 S30	I22-L26 HydrophobicContact CG2-CD1 3.93Å; I22-L26 HydrophobicContact CG2-CG 4.47Å; I22-L26 WeakPolarHBondContact O-CB 3.34Å; I22-L26 WeakPolarHBondContact O-CG 3.5Å; I22-L26 PolarHBondContact O-N 3.46Å; L23-L26 PolarHBondContact O-N 2.94Å; L26-I29 PolarHBondContact O-N 3.39Å; L26-S30 PolarHBondContact O-N 3.06Å
27	S	66.4	Low	65.7	Low	60 Å²	60	101.5 Å²	101.5	42%	0.42	53%	0.53	S	S	.	.	H	α-helix	trans	-65.5	-39.3	175.1	74.6	0	0	0	0	112.1	L23 N24 E25 S30 S31	L23-S27 WeakPolarHBondContact O-CB 3.27Å; L23-S27 PolarHBondContact O-N 2.98Å; L23-S27 PolarHBondContact O-OG 3.43Å; N24-S27 PolarHBondContact O-N 3.38Å; N24-S27 PolarHBondContact O-OG 2.71Å; E25-S27 VanDerWaalsContact C-N 3.32Å; E25-S27 PolarHBondContact O-N 3.06Å; S27-S30 PolarHBondContact O-N 2.71Å; S27-S30 PolarHBondContact O-OG 3.03Å; S27-S31 PolarHBondContact O-N 3.42Å
28	F	64.4	Low	63.8	Low	134 Å²	134	101.9 Å²	101.9	59%	0.588	53%	0.529	S	S	*	.	H	α-helix	trans	-67.7	-39.3	176.8	-169.8	-102.6	0	0	0	112.3	N24 E25 S30 S31 L32	N24-F28 PolarHBondContact O-N 3.3Å; E25-F28 PolarHBondContact O-N 3.23Å; F28-S30 VanDerWaalsContact C-N 3.33Å; F28-S31 PolarHBondContact O-N 3.05Å; F28-S31 PolarHBondContact O-OG 3.29Å; F28-L32 HydrophobicContact CD1-CD1 3.76Å; F28-L32 HydrophobicContact CD1-CG 4.5Å; F28-L32 HydrophobicContact CE1-CD1 3.53Å; F28-L32 HydrophobicContact CE1-CG 4.27Å; F28-L32 HydrophobicContact CZ-CD1 4.3Å; F28-L32 WeakPolarHBondContact O-CG 3.28Å; F28-L32 PolarHBondContact O-N 2.98Å
29	I	63.7	Low	61.8	Low	97 Å²	97	100.3 Å²	100.3	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-64.4	-40.2	173.6	-66.9	164.9	0	0	0	110.4	E25 L26 L32 N33	E25-I29 VanDerWaalsContact O-CG1 3.28Å; E25-I29 WeakPolarHBondContact O-CG1 3.46Å; E25-I29 PolarHBondContact O-N 3Å; L26-I29 PolarHBondContact O-N 3.39Å; I29-L32 PolarHBondContact O-N 3.45Å; I29-N33 PolarHBondContact O-N 2.9Å
30	S	59.1	Low	60	Low	67 Å²	67	99 Å²	99	47%	0.469	52%	0.522	S	S	.	.	H	α-helix	trans	-64	-41.1	177.3	76.3	0	0	0	0	112.7	L26 S27 F28 N33 E34	L26-S30 PolarHBondContact O-N 3.06Å; S27-S30 PolarHBondContact O-N 2.71Å; S27-S30 PolarHBondContact O-OG 3.03Å; F28-S30 VanDerWaalsContact C-N 3.33Å; S30-N33 PolarHBondContact O-N 3.18Å; S30-E34 PolarHBondContact O-N 2.95Å
31	S	56.9	Low	58.2	Low	51 Å²	51	98.3 Å²	98.3	36%	0.357	52%	0.522	S	S	.	.	H	α-helix	trans	-70.5	-33.3	178.4	80.7	0	0	0	0	112.4	S27 F28 N33 H35	S27-S31 PolarHBondContact O-N 3.42Å; F28-S31 PolarHBondContact O-N 3.05Å; F28-S31 PolarHBondContact O-OG 3.29Å; S31-N33 VanDerWaalsContact C-N 3.35Å; S31-H35 PolarHBondContact O-N 3.11Å; S31-H35 VanDerWaalsContact O-N 3.11Å
32	L	54.9	Low	56.7	Low	89 Å²	89	98.3 Å²	98.3	47%	0.466	52%	0.522	S	S	.	.	H	α-helix	trans	-64.4	-41.2	171.6	-79.5	169.1	0	0	0	111.2	F28 I29 H35 V36	F28-L32 HydrophobicContact CD1-CD1 3.76Å; F28-L32 HydrophobicContact CD1-CG 4.5Å; F28-L32 HydrophobicContact CE1-CD1 3.53Å; F28-L32 HydrophobicContact CE1-CG 4.27Å; F28-L32 HydrophobicContact CZ-CD1 4.3Å; F28-L32 WeakPolarHBondContact O-CG 3.28Å; F28-L32 PolarHBondContact O-N 2.98Å; I29-L32 PolarHBondContact O-N 3.45Å; L32-H35 PolarHBondContact O-N 3.42Å; L32-V36 VanDerWaalsContact O-CG2 3.29Å; L32-V36 WeakPolarHBondContact O-CG2 3.29Å; L32-V36 PolarHBondContact O-N 3.23Å
33	N	51.7	Low	55.1	Low	101 Å²	101	96 Å²	96	54%	0.54	51%	0.51	S	S	.	.	H	α-helix	trans	-68	-37.9	-179.8	-137.2	25.4	0	0	0	112.1	I29 S30 S31 V36 Q37	I29-N33 PolarHBondContact O-N 2.9Å; S30-N33 PolarHBondContact O-N 3.18Å; S31-N33 VanDerWaalsContact C-N 3.35Å; N33-V36 PolarHBondContact O-N 2.92Å; N33-Q37 PolarHBondContact O-N 3.36Å
34	E	50.1	Low	53.6	Low	141 Å²	141	96.7 Å²	96.7	66%	0.659	51%	0.514	S	S	*	.	H	α-helix	trans	-62.5	-44.2	171.5	-84.6	-175.5	157.4	0	0	111.9	S30 V36 Q37 E38	S30-E34 PolarHBondContact O-N 2.95Å; E34-V36 VanDerWaalsContact C-N 3.33Å; E34-V36 PolarHBondContact O-N 3Å; E34-Q37 PolarHBondContact O-N 2.75Å; E34-E38 WeakPolarHBondContact O-CB 3.42Å; E34-E38 PolarHBondContact O-N 3.32Å
35	H	49.3	Very low	52.6	Low	130 Å²	130	99.2 Å²	99.2	60%	0.602	52%	0.52	S	S	*	.	H	α-helix	trans	-65.3	-33.3	175.8	-91.2	-38.8	0	0	0	113.5	S31 L32 E38 S39	S31-H35 PolarHBondContact O-N 3.11Å; S31-H35 VanDerWaalsContact O-N 3.11Å; L32-H35 PolarHBondContact O-N 3.42Å; H35-E38 IonicContact ND1-OE2 3.83Å; H35-S39 WeakPolarHBondContact O-CB 3.39Å; H35-S39 PolarHBondContact O-N 2.86Å; H35-S39 PolarHBondContact O-OG 3.28Å
36	V	50.9	Low	52	Low	79 Å²	79	95.5 Å²	95.5	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-70.4	-40.3	174.1	173.4	0	0	0	0	111.1	L32 N33 E34 S39 T40	L32-V36 VanDerWaalsContact O-CG2 3.29Å; L32-V36 WeakPolarHBondContact O-CG2 3.29Å; L32-V36 PolarHBondContact O-N 3.23Å; N33-V36 PolarHBondContact O-N 2.92Å; E34-V36 VanDerWaalsContact C-N 3.33Å; E34-V36 PolarHBondContact O-N 3Å; V36-S39 WeakPolarHBondContact CA-OG 3.39Å; V36-S39 PolarHBondContact O-OG 3.13Å; V36-T40 WeakPolarHBondContact O-CB 3.34Å; V36-T40 PolarHBondContact O-N 2.69Å; V36-T40 PolarHBondContact O-OG1 2.88Å
37	Q	40.2	Very low	51.7	Low	124 Å²	124	91.8 Å²	91.8	58%	0.579	49%	0.485	S	S	*	.	H	α-helix	trans	-66.6	-37.8	174	-85.8	-178.3	-54.5	0	0	112.6	N33 E34 T40 T41	N33-Q37 PolarHBondContact O-N 3.36Å; E34-Q37 PolarHBondContact O-N 2.75Å; Q37-T40 WeakPolarHBondContact CA-OG1 3.43Å; Q37-T40 PolarHBondContact O-OG1 2.97Å; Q37-T40 VanDerWaalsContact O-OG1 3.13Å; Q37-T41 WeakPolarHBondContact O-CB 3.4Å; Q37-T41 WeakPolarHBondContact O-CG2 3.39Å; Q37-T41 PolarHBondContact O-N 2.95Å; Q37-T41 PolarHBondContact O-OG1 2.9Å
38	E	40.5	Very low	51.5	Low	114 Å²	114	97.3 Å²	97.3	53%	0.533	50%	0.504	S	S	.	.	H	α-helix	trans	-69.6	-39.6	177.6	-154	175.3	-156.5	0	0	111.3	E34 H35 T41 I42	E34-E38 WeakPolarHBondContact O-CB 3.42Å; E34-E38 PolarHBondContact O-N 3.32Å; H35-E38 IonicContact ND1-OE2 3.83Å; E38-T41 WeakPolarHBondContact CA-OG1 3.34Å; E38-T41 PolarHBondContact O-OG1 3.13Å; E38-T41 VanDerWaalsContact O-OG1 3.09Å; E38-I42 HydrophobicContact CG-CD1 4.28Å; E38-I42 WeakPolarHBondContact O-CB 3.48Å; E38-I42 WeakPolarHBondContact O-CD1 3.29Å; E38-I42 WeakPolarHBondContact O-CG1 3.36Å; E38-I42 PolarHBondContact O-N 2.98Å
39	S	42.2	Very low	51.7	Low	67 Å²	67	96.6 Å²	96.6	47%	0.469	51%	0.506	S	S	.	.	H	α-helix	trans	-70.3	-37.1	176	50.6	0	0	0	0	113.5	H35 V36 L43	H35-S39 WeakPolarHBondContact O-CB 3.39Å; H35-S39 PolarHBondContact O-N 2.86Å; H35-S39 PolarHBondContact O-OG 3.28Å; V36-S39 WeakPolarHBondContact CA-OG 3.39Å; V36-S39 PolarHBondContact O-OG 3.13Å; S39-L43 PolarHBondContact O-N 2.98Å
40	T	42.6	Very low	52.2	Low	69 Å²	69	95.4 Å²	95.4	42%	0.423	50%	0.501	S	S	.	.	H	α-helix	trans	-70.8	-38.1	174	42.2	0	0	0	0	112.6	V36 Q37 L43 N44	V36-T40 WeakPolarHBondContact O-CB 3.34Å; V36-T40 PolarHBondContact O-N 2.69Å; V36-T40 PolarHBondContact O-OG1 2.88Å; Q37-T40 WeakPolarHBondContact CA-OG1 3.43Å; Q37-T40 PolarHBondContact O-OG1 2.97Å; Q37-T40 VanDerWaalsContact O-OG1 3.13Å; T40-L43 WeakPolarHBondContact O-CB 3.38Å; T40-L43 PolarHBondContact O-N 3.04Å; T40-N44 PolarHBondContact O-N 2.99Å; T40-N44 VanDerWaalsContact O-N 3.1Å
41	T	42.9	Very low	53.6	Low	89 Å²	89	97 Å²	97	55%	0.546	50%	0.504	S	S	.	.	H	α-helix	trans	-68.8	-34.3	173.9	45.7	0	0	0	0	112.9	Q37 E38 K45	Q37-T41 WeakPolarHBondContact O-CB 3.4Å; Q37-T41 WeakPolarHBondContact O-CG2 3.39Å; Q37-T41 PolarHBondContact O-N 2.95Å; Q37-T41 PolarHBondContact O-OG1 2.9Å; E38-T41 WeakPolarHBondContact CA-OG1 3.34Å; E38-T41 PolarHBondContact O-OG1 3.13Å; E38-T41 VanDerWaalsContact O-OG1 3.09Å; T41-K45 PolarHBondContact O-N 3.23Å
42	I	47.4	Very low	55.4	Low	105 Å²	105	98 Å²	98	54%	0.538	51%	0.509	S	S	.	.	H	α-helix	trans	-67.9	-37.2	172.3	-68.6	165.5	0	0	0	111.3	E38 K45	E38-I42 HydrophobicContact CG-CD1 4.28Å; E38-I42 WeakPolarHBondContact O-CB 3.48Å; E38-I42 WeakPolarHBondContact O-CD1 3.29Å; E38-I42 WeakPolarHBondContact O-CG1 3.36Å; E38-I42 PolarHBondContact O-N 2.98Å; I42-K45 PolarHBondContact O-N 3.09Å
43	L	46.3	Very low	57.3	Low	40 Å²	40	94.3 Å²	94.3	21%	0.209	49%	0.49	C	S	.	.	H	α-helix	trans	-61.8	-44.6	176.1	-155.5	82.9	0	0	0	111.5	S39 T40 K45 E46 L114 P174	S39-L43 PolarHBondContact O-N 2.98Å; T40-L43 WeakPolarHBondContact O-CB 3.38Å; T40-L43 PolarHBondContact O-N 3.04Å; L43-K45 PolarHBondContact O-N 2.67Å; L43-E46 PolarHBondContact O-N 3.1Å; L43-L114 HydrophobicContact CD1-CD1 4.29Å; L43-L114 HydrophobicContact CD2-CD1 4.42Å; L43-L114 HydrophobicContact CG-CD1 4.44Å; L43-L114 HydrophobicContact CG-CD2 4.36Å; L43-P174 HydrophobicContact CD2-CB 4.18Å; L43-P174 HydrophobicContact CD2-CG 4.21Å
44	N	44.3	Very low	59.3	Low	115 Å²	115	89.5 Å²	89.5	62%	0.615	46%	0.464	S	S	*	.	H	α-helix	trans	-67.9	-19.9	-179.9	-70.2	-9.6	0	0	0	113.4	T40	T40-N44 PolarHBondContact O-N 2.99Å; T40-N44 VanDerWaalsContact O-N 3.1Å
45	K	51.7	Low	61.5	Low	167 Å²	167	82.8 Å²	82.8	73%	0.726	43%	0.433	S	S	*	.	H	α-helix	trans	-84.8	-16.6	177.9	-143.4	-178.7	-173.9	-174.5	0	113.6	T41 I42 L43 C47	T41-K45 PolarHBondContact O-N 3.23Å; I42-K45 PolarHBondContact O-N 3.09Å; L43-K45 PolarHBondContact O-N 2.67Å; K45-C47 VanDerWaalsContact C-N 3.26Å; K45-C47 PolarHBondContact O-N 3.03Å
46	E	57.6	Low	63.6	Low	64 Å²	64	80 Å²	80	30%	0.299	42%	0.422	S	S	.	.	S	Bend	trans	-73.9	-19.8	179.6	-76.4	-158.7	126.7	0	0	113.1	L43 R176 K354	L43-E46 PolarHBondContact O-N 3.1Å; E46-R176 IonicContact OE2-CZ 3.26Å; E46-R176 IonicContact OE2-NH1 3.79Å; E46-R176 PolarHBondContact OE2-NH1 3.36Å; E46-R176 VanDerWaalsContact OE2-NH1 3.15Å; E46-R176 IonicContact OE2-NH2 3.73Å; E46-R176 PolarHBondContact OE2-NH2 2.77Å; E46-K354 IonicContact OE1-NZ 2.77Å; E46-K354 PolarHBondContact OE1-NZ 3.32Å
47	C	61.8	Low	65.6	Low	24 Å²	24	80.1 Å²	80.1	16%	0.162	43%	0.426	C	S	.	.			trans	-138.8	73.3	-172.6	-51.4	0	0	0	0	109.6	K45 N49 C200	K45-C47 VanDerWaalsContact C-N 3.26Å; K45-C47 PolarHBondContact O-N 3.03Å; C47-N49 PolarHBondContact O-N 2.88Å; C47-C200 HydrophobicContact CB-CB 3.57Å; C47-C200 WeakPolarHBondContact CB-SG 2.99Å; C47-C200 WeakPolarHBondContact SG-CB 3.12Å; C47-C200 CovalentContact SG-SG 1.95Å; C47-C200 PolarHBondContact SG-SG 2.02Å
48	E	62.6	Low	68.1	Low	176 Å²	176	76.1 Å²	76.1	82%	0.822	42%	0.418	S	S	*	.	S	Bend	trans	-62.2	-20.7	177.1	-159.4	170.2	-161.2	0	0	111.6
49	N	68	Low	70.5	Confident	120 Å²	120	74.4 Å²	74.4	64%	0.642	42%	0.419	S	S	*	.	S	Bend	trans	-139.2	129.9	169.5	-60.6	-66.1	0	0	0	110.5	C47	C47-N49 PolarHBondContact O-N 2.88Å
50	D	76.1	Confident	73.1	Confident	71 Å²	71	71.2 Å²	71.2	38%	0.38	40%	0.396	S	S	.	.			trans	-81	120.3	171.2	-86.8	-5.2	0	0	0	109.9	T116 V198	D50-T116 WeakPolarHBondContact OD1-CG2 3.3Å; D50-T116 PolarHBondContact OD1-OG1 3.48Å; D50-T116 WeakPolarHBondContact OD2-CB 3.3Å; D50-T116 WeakPolarHBondContact OD2-CG2 3.39Å; D50-T116 PolarHBondContact OD2-OG1 2.81Å; D50-V198 HydrophobicContact CB-CG1 3.89Å
51	D	87.8	Confident	75.5	Confident	100 Å²	100	69.2 Å²	69.2	54%	0.535	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	155.1	-176.8	-74.4	-37.5	0	0	0	111.7	L53 G199	D51-L53 PolarHBondContact O-N 2.85Å; D51-G199 PolarHBondContact N-O 2.88Å; D51-G199 PolarHBondContact O-N 3.01Å
52	P	94.1	Very high	78	Confident	72 Å²	72	68.8 Å²	68.8	47%	0.468	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	125.6	167.1	-24.7	35.1	0	0	0	111.8	G54 E196	P52-G54 VanDerWaalsContact C-N 3.27Å; P52-G54 PolarHBondContact O-N 2.86Å; P52-E196 HydrophobicContact CB-CG 3.84Å
53	L	94.8	Very high	80.2	Confident	13 Å²	13	69.6 Å²	69.6	7%	0.068	38%	0.378	C	S	.	.			trans	-76	-13.7	-176.1	-67.9	-177.2	0	0	0	113.8	D51 L109 A113 V115 E196 L197 Q201	D51-L53 PolarHBondContact O-N 2.85Å; L53-L109 HydrophobicContact CB-CD2 4.2Å; L53-L109 HydrophobicContact CD1-CD1 4.05Å; L53-L109 HydrophobicContact CD1-CD2 4.01Å; L53-A113 HydrophobicContact CD1-CB 4.28Å; L53-V115 HydrophobicContact CD1-CG2 3.98Å; L53-E196 PolarHBondContact N-OE1 3.15Å; L53-L197 HydrophobicContact CB-CB 4.23Å; L53-L197 HydrophobicContact CD1-CB 3.9Å; L53-L197 HydrophobicContact CG-CB 4.37Å; L53-L197 PolarHBondContact N-O 2.92Å; L53-Q201 HydrophobicContact CD2-CB 4.05Å
54	G	94.3	Very high	82.6	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.368	C	S	.	.	S	Bend	trans	127.7	24.8	157.3	0	0	0	0	0	116.1	P52 S57 G58 S59 I60 E196	P52-G54 VanDerWaalsContact C-N 3.27Å; P52-G54 PolarHBondContact O-N 2.86Å; G54-S57 VanDerWaalsContact CA-OG 3.25Å; G54-S57 WeakPolarHBondContact CA-OG 3.49Å; G54-G58 PolarHBondContact O-N 3.27Å; G54-G58 VanDerWaalsContact O-N 3.17Å; G54-S59 PolarHBondContact O-N 2.92Å; G54-I60 PolarHBondContact O-N 2.82Å; G54-E196 PolarHBondContact N-OE1 2.98Å; G54-E196 VanDerWaalsContact N-OE1 3.08Å
55	M	96	Very high	85.1	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-42.8	168.2	-67.3	-65.2	-72.4	0	0	111	I60 I65 A84 R85 I107 V195 E196	M55-I60 HydrophobicContact CG-CD1 4Å; M55-I60 HydrophobicContact SD-CB 4.17Å; M55-I60 HydrophobicContact SD-CD1 3.95Å; M55-I60 HydrophobicContact SD-CG2 3.91Å; M55-I65 HydrophobicContact CE-CD1 3.61Å; M55-I65 HydrophobicContact CE-CG1 4.12Å; M55-I65 HydrophobicContact SD-CD1 3.98Å; M55-I65 HydrophobicContact SD-CG1 4.19Å; M55-A84 HydrophobicContact CE-CB 4.4Å; M55-A84 WeakPolarHBondContact CE-O 3.47Å; M55-R85 HydrophobicContact CE-CG 4.31Å; M55-R85 VanDerWaalsContact O-CD 3.24Å; M55-R85 WeakPolarHBondContact O-CD 3.29Å; M55-R85 VanDerWaalsContact O-CG 3.3Å; M55-R85 WeakPolarHBondContact O-CG 3.39Å; M55-R85 PolarHBondContact O-NH1 2.88Å; M55-I107 HydrophobicContact CE-CD1 4.03Å; M55-I107 HydrophobicContact CE-CG1 4.42Å; M55-I107 HydrophobicContact CG-CD1 4.21Å; M55-I107 HydrophobicContact SD-CD1 3.85Å; M55-I107 HydrophobicContact SD-CG1 4.21Å; M55-I107 HydrophobicContact SD-CG2 4.2Å; M55-V195 WeakPolarHBondContact CB-O 3.06Å; M55-V195 HydrophobicContact CE-CG2 3.96Å; M55-E196 HydrophobicContact CB-CB 4.43Å; M55-E196 PolarHBondContact N-OE1 3.13Å; M55-E196 PolarHBondContact N-OE2 2.79Å
56	I	94.4	Very high	87.3	Confident	72 Å²	72	57.4 Å²	57.4	37%	0.369	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-47.3	178.3	-63	163.3	0	0	0	110.4	G58 L86 F87 E196	I56-G58 PolarHBondContact O-N 3.29Å; I56-L86 HydrophobicContact CD1-CB 3.91Å; I56-L86 HydrophobicContact CD1-CD2 3.97Å; I56-L86 HydrophobicContact CG1-CB 3.68Å; I56-F87 HydrophobicContact CD1-CD2 4.11Å; I56-E196 WeakPolarHBondContact CB-OE2 3.42Å; I56-E196 HydrophobicContact CD1-CB 3.89Å; I56-E196 HydrophobicContact CD1-CG 3.75Å; I56-E196 HydrophobicContact CG1-CB 4.14Å; I56-E196 HydrophobicContact CG1-CG 4.18Å; I56-E196 WeakPolarHBondContact CG1-OE2 3.38Å; I56-E196 PolarHBondContact N-OE2 3.24Å
57	S	92.5	Very high	89.2	Confident	80 Å²	80	55.3 Å²	55.3	56%	0.559	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.5	-175.9	69	0	0	0	0	113.6	G54 S59	G54-S57 VanDerWaalsContact CA-OG 3.25Å; G54-S57 WeakPolarHBondContact CA-OG 3.49Å; S57-S59 PolarHBondContact O-N 3.38Å; S57-S59 WeakPolarHBondContact OG-CB 3.49Å; S57-S59 PolarHBondContact OG-N 3.32Å; S57-S59 PolarHBondContact OG-OG 2.82Å
58	G	92	Very high	90.8	Very high	41 Å²	41	56.4 Å²	56.4	42%	0.423	32%	0.323	S	S	.	.	S	Bend	trans	78.7	3.3	-173.6	0	0	0	0	0	113.9	G54 I56 I60	G54-G58 PolarHBondContact O-N 3.27Å; G54-G58 VanDerWaalsContact O-N 3.17Å; I56-G58 PolarHBondContact O-N 3.29Å; G58-I60 CarbonylContact O-C 3.58Å; G58-I60 PolarHBondContact O-N 3.44Å
59	S	91.9	Very high	92.3	Very high	77 Å²	77	48.8 Å²	48.8	54%	0.538	29%	0.289	S	S	.	.			trans	-63.7	-27.8	175	-58.5	0	0	0	0	112.2	G54 S57	G54-S59 PolarHBondContact O-N 2.92Å; S57-S59 PolarHBondContact O-N 3.38Å; S57-S59 WeakPolarHBondContact OG-CB 3.49Å; S57-S59 PolarHBondContact OG-N 3.32Å; S57-S59 PolarHBondContact OG-OG 2.82Å
60	I	95.5	Very high	93.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-84.9	112.6	162.5	-62.4	172.9	0	0	0	107.3	G54 M55 G58 Q64 I65 R85 I107 L109	G54-I60 PolarHBondContact O-N 2.82Å; M55-I60 HydrophobicContact CG-CD1 4Å; M55-I60 HydrophobicContact SD-CB 4.17Å; M55-I60 HydrophobicContact SD-CD1 3.95Å; M55-I60 HydrophobicContact SD-CG2 3.91Å; G58-I60 CarbonylContact O-C 3.58Å; G58-I60 PolarHBondContact O-N 3.44Å; I60-Q64 HydrophobicContact CG2-CB 3.88Å; I60-I65 HydrophobicContact CG2-CG1 4.19Å; I60-R85 PolarHBondContact O-NH1 2.81Å; I60-R85 PolarHBondContact O-NH2 2.83Å; I60-I107 HydrophobicContact CD1-CG2 3.91Å; I60-I107 HydrophobicContact CG2-CG2 4.15Å; I60-L109 HydrophobicContact CD1-CD2 3.78Å
61	A	94.4	Very high	94	Very high	27 Å²	27	44 Å²	44	22%	0.223	26%	0.261	C	S	.	.			trans	-75	157	-176.6	0	0	0	0	0	112.3	W63 Q64	A61-W63 HydrophobicContact CB-CG 4.43Å; A61-W63 VanDerWaalsContact CB-NE1 3.31Å; A61-W63 PolarHBondContact O-N 3.33Å; A61-W63 VanDerWaalsContact O-N 3.14Å; A61-Q64 HydrophobicContact CB-CG 4.45Å; A61-Q64 VanDerWaalsContact O-CB 3.31Å; A61-Q64 WeakPolarHBondContact O-CB 3.49Å; A61-Q64 PolarHBondContact O-N 2.87Å
62	D	94.8	Very high	93.7	Very high	80 Å²	80	41 Å²	41	43%	0.428	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-55.7	-36	-176.3	-69.6	-5.6	0	0	0	113.5	Q64 I65 K82 R85	D62-Q64 PolarHBondContact O-N 2.83Å; D62-I65 PolarHBondContact O-N 3.28Å; D62-K82 HydrophobicContact CB-CB 3.89Å; D62-R85 IonicContact OD1-CZ 2.86Å; D62-R85 IonicContact OD1-NE 2.82Å; D62-R85 IonicContact OD1-NH2 3.18Å; D62-R85 PolarHBondContact OD1-NH2 3Å
63	W	93.5	Very high	93	Very high	122 Å²	122	40.9 Å²	40.9	46%	0.462	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-70.7	-14.7	179.3	65.4	-94.3	0	0	0	113.9	A61 I65 I319 Y321	A61-W63 HydrophobicContact CB-CG 4.43Å; A61-W63 VanDerWaalsContact CB-NE1 3.31Å; A61-W63 PolarHBondContact O-N 3.33Å; A61-W63 VanDerWaalsContact O-N 3.14Å; W63-I65 VanDerWaalsContact C-N 3.29Å; W63-I319 HydrophobicContact CZ2-CB 4.46Å; W63-Y321 AromaticContact CH2-CD2 3.79Å; W63-Y321 HydrophobicContact CH2-CD2 3.79Å; W63-Y321 AromaticContact CH2-CE2 3.56Å; W63-Y321 HydrophobicContact CH2-CE2 3.56Å; W63-Y321 AromaticContact CZ2-CE2 3.93Å; W63-Y321 HydrophobicContact CZ2-CE2 3.93Å
64	Q	96.5	Very high	92.2	Very high	3 Å²	3	45 Å²	45	1%	0.014	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-84.5	-6	177.4	-64	179.8	-105.3	0	0	112.6	I60 A61 D62 D108	I60-Q64 HydrophobicContact CG2-CB 3.88Å; A61-Q64 HydrophobicContact CB-CG 4.45Å; A61-Q64 VanDerWaalsContact O-CB 3.31Å; A61-Q64 WeakPolarHBondContact O-CB 3.49Å; A61-Q64 PolarHBondContact O-N 2.87Å; D62-Q64 PolarHBondContact O-N 2.83Å; Q64-D108 HydrophobicContact CB-CB 4.3Å; Q64-D108 WeakPolarHBondContact CB-O 3.33Å; Q64-D108 PolarHBondContact NE2-O 2.83Å; Q64-D108 PolarHBondContact O-N 2.97Å
65	I	97.6	Very high	91.4	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.041	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.1	-179.2	-47.6	166	0	0	0	107.8	M55 I60 D62 W63 E81 L105 Q106	M55-I65 HydrophobicContact CE-CD1 3.61Å; M55-I65 HydrophobicContact CE-CG1 4.12Å; M55-I65 HydrophobicContact SD-CD1 3.98Å; M55-I65 HydrophobicContact SD-CG1 4.19Å; I60-I65 HydrophobicContact CG2-CG1 4.19Å; D62-I65 PolarHBondContact O-N 3.28Å; W63-I65 VanDerWaalsContact C-N 3.29Å; I65-E81 HydrophobicContact CB-CB 4.45Å; I65-E81 HydrophobicContact CG2-CB 4.05Å; I65-L105 HydrophobicContact CG2-CD1 3.8Å; I65-L105 HydrophobicContact CG2-CG 4.36Å; I65-Q106 WeakPolarHBondContact CA-O 3.43Å
66	T	97.3	Very high	90.4	Very high	56 Å²	56	55.1 Å²	55.1	34%	0.344	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	165.7	178.4	60.8	0	0	0	0	110.2	Q106	T66-Q106 PolarHBondContact N-O 2.72Å; T66-Q106 PolarHBondContact O-N 3.5Å; T66-Q106 VanDerWaalsContact O-O 3.13Å; T66-Q106 WeakPolarHBondContact OG1-CB 3.46Å; T66-Q106 PolarHBondContact OG1-NE2 2.75Å
67	S	96.7	Very high	89.8	Confident	20 Å²	20	60.6 Å²	60.6	14%	0.14	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	166.6	179.8	72.8	0	0	0	0	111.5	S69 T70 E81 W94 W104	S67-S69 VanDerWaalsContact C-N 3.33Å; S67-S69 PolarHBondContact OG-N 3Å; S67-S69 PolarHBondContact OG-O 3.27Å; S67-T70 PolarHBondContact OG-OG1 3.12Å; S67-T70 VanDerWaalsContact OG-OG1 3.06Å; S67-E81 PolarHBondContact OG-OE1 2.8Å; S67-W94 VanDerWaalsContact CB-NE1 3.27Å; S67-W94 PolarHBondContact OG-NE1 2.8Å; S67-W104 VanDerWaalsContact C-CH2 3.49Å; S67-W104 CarbonylContact C-O 3.58Å; S67-W104 VanDerWaalsContact CA-O 3.26Å; S67-W104 WeakPolarHBondContact CA-O 3.46Å; S67-W104 WeakPolarHBondContact CB-O 3.2Å; S67-W104 WeakPolarHBondContact O-CH2 3.47Å
68	S	96.1	Very high	89.3	Confident	46 Å²	46	57.1 Å²	57.1	32%	0.322	32%	0.318	S	S	.	.	S	Bend	trans	-62.1	-44.3	166.7	45.3	0	0	0	0	111.5	E103 W104	S68-E103 WeakPolarHBondContact CB-OE2 3.39Å; S68-E103 WeakPolarHBondContact OG-CA 3.1Å; S68-E103 PolarHBondContact OG-OE2 3.09Å; S68-W104 PolarHBondContact N-O 2.85Å; S68-W104 PolarHBondContact OG-N 2.7Å; S68-W104 PolarHBondContact OG-O 2.84Å
69	S	94.8	Very high	89.3	Confident	17 Å²	17	55.2 Å²	55.2	12%	0.119	30%	0.298	C	S	.	.			trans	-162.7	155.7	-179.5	80.5	0	0	0	0	110.8	S67 W94 K97 E103	S67-S69 VanDerWaalsContact C-N 3.33Å; S67-S69 PolarHBondContact OG-N 3Å; S67-S69 PolarHBondContact OG-O 3.27Å; S69-W94 PolarHBondContact O-NE1 3.25Å; S69-K97 WeakPolarHBondContact OG-CB 3.46Å; S69-K97 PolarHBondContact OG-N 3.27Å; S69-E103 WeakPolarHBondContact CB-OE2 3.44Å; S69-E103 PolarHBondContact OG-OE1 2.75Å; S69-E103 PolarHBondContact OG-OE2 2.96Å
70	T	92.7	Very high	89.4	Confident	30 Å²	30	54.2 Å²	54.2	18%	0.184	29%	0.285	C	S	.	.			trans	-132.8	138.6	177.6	-69.5	0	0	0	0	110	S67 C79 E81 W94 C95	S67-T70 PolarHBondContact OG-OG1 3.12Å; S67-T70 VanDerWaalsContact OG-OG1 3.06Å; T70-C79 WeakPolarHBondContact CG2-O 3.34Å; T70-E81 WeakPolarHBondContact CB-OE1 3.47Å; T70-E81 PolarHBondContact OG1-OE1 3.47Å; T70-W94 PolarHBondContact OG1-NE1 2.94Å; T70-C95 WeakPolarHBondContact CA-O 3.39Å
71	Y	86.8	Confident	89.4	Confident	61 Å²	61	57 Å²	57	24%	0.239	30%	0.298	C	S	.	.			trans	-58.9	129	175.7	-154.3	-90.6	0	0	0	109.6	S73 W75 V76 C95 H190	Y71-S73 PolarHBondContact O-N 2.87Å; Y71-W75 HydrophobicContact CD1-CB 4.13Å; Y71-W75 HydrophobicContact CD1-CE3 4.37Å; Y71-W75 HydrophobicContact CE1-CB 3.55Å; Y71-W75 HydrophobicContact CE1-CD2 4.36Å; Y71-W75 AromaticContact CE1-CE3 3.7Å; Y71-W75 HydrophobicContact CE1-CE3 3.7Å; Y71-W75 HydrophobicContact CE1-CG 4.38Å; Y71-W75 HydrophobicContact CE2-CE3 4.37Å; Y71-W75 AromaticContact CZ-CE3 3.71Å; Y71-V76 HydrophobicContact CD1-CB 4Å; Y71-V76 HydrophobicContact CD1-CG2 3.99Å; Y71-V76 HydrophobicContact CE1-CB 4.13Å; Y71-V76 HydrophobicContact CE1-CG2 3.6Å; Y71-C95 PolarHBondContact N-O 2.8Å; Y71-H190 AromaticContact CD2-CE1 3.68Å; Y71-H190 AromaticContact CD2-NE2 3.65Å; Y71-H190 AromaticContact CE2-CE1 3.75Å
72	P	82.2	Confident	89.4	Confident	35 Å²	35	59.4 Å²	59.4	23%	0.227	30%	0.303	C	S	.	.			trans	-56.2	128.2	-174.2	-23.6	31.9	0	0	0	111.7	S74 W75 V76	P72-S74 PolarHBondContact O-N 2.91Å; P72-S74 VanDerWaalsContact O-N 3.09Å; P72-W75 HydrophobicContact CB-CD2 4.09Å; P72-W75 HydrophobicContact CB-CE3 4.42Å; P72-W75 HydrophobicContact CB-CG 4.15Å; P72-W75 HydrophobicContact CG-CD2 3.86Å; P72-W75 HydrophobicContact CG-CE3 3.77Å; P72-W75 HydrophobicContact CG-CG 4.43Å; P72-W75 HydrophobicContact CG-CH2 4.4Å; P72-W75 HydrophobicContact CG-CZ2 4.46Å; P72-W75 HydrophobicContact CG-CZ3 4.05Å; P72-W75 PolarHBondContact O-N 2.94Å; P72-V76 PolarHBondContact O-N 2.78Å
73	S	77.8	Confident	89.4	Confident	70 Å²	70	55.8 Å²	55.8	49%	0.49	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.3	178.7	60.9	0	0	0	0	113.2	Y71 W75	Y71-S73 PolarHBondContact O-N 2.87Å; S73-W75 VanDerWaalsContact C-N 3.31Å
74	S	78.4	Confident	89.6	Confident	99 Å²	99	50 Å²	50	69%	0.692	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-25.8	172.8	54.4	0	0	0	0	113.6	P72	P72-S74 PolarHBondContact O-N 2.91Å; P72-S74 VanDerWaalsContact O-N 3.09Å
75	W	77.2	Confident	89.6	Confident	172 Å²	172	50.8 Å²	50.8	65%	0.652	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-43.4	-178.8	-63.6	-7.3	0	0	0	111.2	Y71 P72 S73	Y71-W75 HydrophobicContact CD1-CB 4.13Å; Y71-W75 HydrophobicContact CD1-CE3 4.37Å; Y71-W75 HydrophobicContact CE1-CB 3.55Å; Y71-W75 HydrophobicContact CE1-CD2 4.36Å; Y71-W75 AromaticContact CE1-CE3 3.7Å; Y71-W75 HydrophobicContact CE1-CE3 3.7Å; Y71-W75 HydrophobicContact CE1-CG 4.38Å; Y71-W75 HydrophobicContact CE2-CE3 4.37Å; Y71-W75 AromaticContact CZ-CE3 3.71Å; P72-W75 HydrophobicContact CB-CD2 4.09Å; P72-W75 HydrophobicContact CB-CE3 4.42Å; P72-W75 HydrophobicContact CB-CG 4.15Å; P72-W75 HydrophobicContact CG-CD2 3.86Å; P72-W75 HydrophobicContact CG-CE3 3.77Å; P72-W75 HydrophobicContact CG-CG 4.43Å; P72-W75 HydrophobicContact CG-CH2 4.4Å; P72-W75 HydrophobicContact CG-CZ2 4.46Å; P72-W75 HydrophobicContact CG-CZ3 4.05Å; P72-W75 PolarHBondContact O-N 2.94Å; S73-W75 VanDerWaalsContact C-N 3.31Å
76	V	75.5	Confident	89.4	Confident	41 Å²	41	50.6 Å²	50.6	25%	0.248	26%	0.264	C	S	.	.	S	Bend	trans	-136.1	114.4	176.9	178.9	0	0	0	0	108.8	Y71 P72 G78	Y71-V76 HydrophobicContact CD1-CB 4Å; Y71-V76 HydrophobicContact CD1-CG2 3.99Å; Y71-V76 HydrophobicContact CE1-CB 4.13Å; Y71-V76 HydrophobicContact CE1-CG2 3.6Å; P72-V76 PolarHBondContact O-N 2.78Å; V76-G78 PolarHBondContact O-N 2.89Å
77	K	82	Confident	89.3	Confident	187 Å²	187	53.8 Å²	53.8	81%	0.813	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	131.9	175.4	-100.1	-177	175.6	177.9	0	109.5
78	G	83.1	Confident	89	Confident	7 Å²	7	56 Å²	56	7%	0.072	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	-0.9	168.1	0	0	0	0	0	116.8	V76 E80 N83	V76-G78 PolarHBondContact O-N 2.89Å; G78-E80 PolarHBondContact O-N 3.31Å; G78-N83 PolarHBondContact O-ND2 3.3Å
79	C	91.6	Very high	88.6	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.007	31%	0.306	C	S	.	.			trans	-78.9	93.5	165.8	-71.3	0	0	0	0	109.9	T70 A93 C95 R123	T70-C79 WeakPolarHBondContact CG2-O 3.34Å; C79-A93 WeakPolarHBondContact CA-O 3.41Å; C79-C95 VanDerWaalsContact CA-SG 3.57Å; C79-C95 HydrophobicContact CB-CB 3.56Å; C79-C95 WeakPolarHBondContact CB-SG 3.49Å; C79-C95 WeakPolarHBondContact SG-CB 3.22Å; C79-C95 CovalentContact SG-SG 2.05Å; C79-C95 PolarHBondContact SG-SG 2.86Å; C79-R123 PolarHBondContact SG-NH1 2.63Å; C79-R123 VanDerWaalsContact SG-NH1 3.43Å
80	E	93.8	Very high	88.4	Confident	56 Å²	56	63.7 Å²	63.7	26%	0.262	32%	0.32	S	S	.	.			trans	-145.7	149.8	179.7	-63.7	-178.3	-153	0	0	110.6	G78 K82 N83 A93	G78-E80 PolarHBondContact O-N 3.31Å; E80-K82 VanDerWaalsContact C-N 3.27Å; E80-K82 HydrophobicContact CB-CG 4.18Å; E80-K82 PolarHBondContact O-N 2.9Å; E80-K82 IonicContact OE1-NZ 3.59Å; E80-K82 WeakPolarHBondContact OE2-CD 3.18Å; E80-K82 WeakPolarHBondContact OE2-CE 3.5Å; E80-K82 IonicContact OE2-NZ 4Å; E80-K82 PolarHBondContact OE2-NZ 3.16Å; E80-N83 WeakPolarHBondContact O-CB 3.42Å; E80-N83 PolarHBondContact O-N 3.24Å; E80-A93 PolarHBondContact N-O 3.3Å
81	E	95	Very high	88.3	Confident	58 Å²	58	62.6 Å²	62.6	27%	0.271	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-56.6	-42.7	179.6	-64.2	85.8	172.4	0	0	111.8	I65 S67 T70 N83 A84	I65-E81 HydrophobicContact CB-CB 4.45Å; I65-E81 HydrophobicContact CG2-CB 4.05Å; S67-E81 PolarHBondContact OG-OE1 2.8Å; T70-E81 WeakPolarHBondContact CB-OE1 3.47Å; T70-E81 PolarHBondContact OG1-OE1 3.47Å; E81-N83 PolarHBondContact O-N 3.17Å; E81-A84 VanDerWaalsContact O-CB 3.25Å; E81-A84 WeakPolarHBondContact O-CB 3.26Å; E81-A84 PolarHBondContact O-N 2.68Å
82	K	94.5	Very high	88.6	Confident	78 Å²	78	61.2 Å²	61.2	34%	0.339	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-59.6	-20.5	178.6	76.8	-172	-168.5	-145.8	0	113.4	D62 E80 R85 R88	D62-K82 HydrophobicContact CB-CB 3.89Å; E80-K82 VanDerWaalsContact C-N 3.27Å; E80-K82 HydrophobicContact CB-CG 4.18Å; E80-K82 PolarHBondContact O-N 2.9Å; E80-K82 IonicContact OE1-NZ 3.59Å; E80-K82 WeakPolarHBondContact OE2-CD 3.18Å; E80-K82 WeakPolarHBondContact OE2-CE 3.5Å; E80-K82 IonicContact OE2-NZ 4Å; E80-K82 PolarHBondContact OE2-NZ 3.16Å; K82-R85 PolarHBondContact O-NE 3.17Å; K82-R88 PolarHBondContact O-NH1 3.15Å
83	N	95	Very high	89.3	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-87.7	-4.4	179.8	-63.9	-26.7	0	0	0	113.5	G78 E80 E81 R85 R88 L92	G78-N83 PolarHBondContact O-ND2 3.3Å; E80-N83 WeakPolarHBondContact O-CB 3.42Å; E80-N83 PolarHBondContact O-N 3.24Å; E81-N83 PolarHBondContact O-N 3.17Å; N83-R85 PolarHBondContact O-N 3.49Å; N83-R88 PolarHBondContact OD1-NH1 2.72Å; N83-R88 PolarHBondContact OD1-NH2 3.15Å; N83-R88 VanDerWaalsContact OD1-NH2 3.12Å; N83-L92 HydrophobicContact CB-CB 3.96Å; N83-L92 VanDerWaalsContact O-O 3.1Å
84	A	96.5	Very high	90.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.277	C	S	.	.			trans	-70.6	39.6	178.7	0	0	0	0	0	114.7	M55 E81 W94 L105 V195	M55-A84 HydrophobicContact CE-CB 4.4Å; M55-A84 WeakPolarHBondContact CE-O 3.47Å; E81-A84 VanDerWaalsContact O-CB 3.25Å; E81-A84 WeakPolarHBondContact O-CB 3.26Å; E81-A84 PolarHBondContact O-N 2.68Å; A84-W94 HydrophobicContact CB-CB 3.71Å; A84-L105 HydrophobicContact CB-CD1 4.22Å; A84-L105 HydrophobicContact CB-CD2 3.56Å; A84-V195 PolarHBondContact O-N 3.11Å
85	R	96.7	Very high	91	Very high	21 Å²	21	51.5 Å²	51.5	8%	0.079	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-109.5	128.6	-174	-59.9	178.7	-178.2	-86	2.2	110	M55 I60 D62 K82 N83 R88 R194	M55-R85 HydrophobicContact CE-CG 4.31Å; M55-R85 VanDerWaalsContact O-CD 3.24Å; M55-R85 WeakPolarHBondContact O-CD 3.29Å; M55-R85 VanDerWaalsContact O-CG 3.3Å; M55-R85 WeakPolarHBondContact O-CG 3.39Å; M55-R85 PolarHBondContact O-NH1 2.88Å; I60-R85 PolarHBondContact O-NH1 2.81Å; I60-R85 PolarHBondContact O-NH2 2.83Å; D62-R85 IonicContact OD1-CZ 2.86Å; D62-R85 IonicContact OD1-NE 2.82Å; D62-R85 IonicContact OD1-NH2 3.18Å; D62-R85 PolarHBondContact OD1-NH2 3Å; K82-R85 PolarHBondContact O-NE 3.17Å; N83-R85 PolarHBondContact O-N 3.49Å; R85-R88 WeakPolarHBondContact O-CB 3.2Å; R85-R88 PolarHBondContact O-N 3.32Å; R85-R194 WeakPolarHBondContact O-CB 3.26Å; R85-R194 VanDerWaalsContact O-CD 3.3Å; R85-R194 WeakPolarHBondContact O-CD 3.22Å; R85-R194 WeakPolarHBondContact O-CG 3.34Å
86	L	94.6	Very high	91.9	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	147.6	176.4	-150.7	77.8	0	0	0	111.3	I56 R88 M119 Q121 V166 V195 E196	I56-L86 HydrophobicContact CD1-CB 3.91Å; I56-L86 HydrophobicContact CD1-CD2 3.97Å; I56-L86 HydrophobicContact CG1-CB 3.68Å; L86-R88 PolarHBondContact O-N 3.26Å; L86-M119 HydrophobicContact CD1-CB 4.46Å; L86-M119 HydrophobicContact CD2-CB 3.79Å; L86-M119 HydrophobicContact CD2-SD 4.11Å; L86-Q121 HydrophobicContact CD1-CB 3.71Å; L86-Q121 HydrophobicContact CD1-CG 3.69Å; L86-Q121 HydrophobicContact CG-CG 4.41Å; L86-V166 HydrophobicContact CD1-CG1 4.39Å; L86-V166 HydrophobicContact CD2-CG1 3.99Å; L86-V166 HydrophobicContact CD2-CG2 4.3Å; L86-V195 PolarHBondContact N-O 3.32Å; L86-E196 HydrophobicContact CB-CB 4.09Å; L86-E196 HydrophobicContact CD2-CB 4.16Å
87	F	93.8	Very high	92.7	Very high	124 Å²	124	45.9 Å²	45.9	54%	0.544	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	19.8	179.2	-58.8	-62.9	0	0	0	116.6	I56 T89 V166	I56-F87 HydrophobicContact CD1-CD2 4.11Å; F87-T89 PolarHBondContact O-N 3.45Å; F87-V166 HydrophobicContact CE1-CG2 3.6Å; F87-V166 HydrophobicContact CE2-CG2 4.25Å; F87-V166 HydrophobicContact CZ-CG2 3.42Å; F87-V166 VanDerWaalsContact CZ-CG2 3.42Å
88	R	90.6	Very high	93.3	Very high	67 Å²	67	42.4 Å²	42.4	25%	0.253	21%	0.206	S	C	.	.			trans	-61.2	125.8	177.3	-160.4	170	-177.5	141.6	-6.9	111.2	K82 N83 R85 L86 N90 G91	K82-R88 PolarHBondContact O-NH1 3.15Å; N83-R88 PolarHBondContact OD1-NH1 2.72Å; N83-R88 PolarHBondContact OD1-NH2 3.15Å; N83-R88 VanDerWaalsContact OD1-NH2 3.12Å; R85-R88 WeakPolarHBondContact O-CB 3.2Å; R85-R88 PolarHBondContact O-N 3.32Å; L86-R88 PolarHBondContact O-N 3.26Å; R88-N90 VanDerWaalsContact C-N 3.32Å; R88-N90 WeakPolarHBondContact CG-OD1 3.33Å; R88-N90 PolarHBondContact O-N 3.19Å; R88-G91 PolarHBondContact O-N 2.61Å
89	T	87.8	Confident	93.8	Very high	147 Å²	147	48.3 Å²	48.3	90%	0.902	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.7	-167.6	52.2	0	0	0	0	114.6	F87 G91	F87-T89 PolarHBondContact O-N 3.45Å; T89-G91 VanDerWaalsContact C-N 3.26Å; T89-G91 PolarHBondContact O-N 2.73Å
90	N	90.4	Very high	93.8	Very high	76 Å²	76	50.1 Å²	50.1	41%	0.406	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	1.2	177.7	62.6	5.1	0	0	0	113.6	R88 L92	R88-N90 VanDerWaalsContact C-N 3.32Å; R88-N90 WeakPolarHBondContact CG-OD1 3.33Å; R88-N90 PolarHBondContact O-N 3.19Å; N90-L92 HydrophobicContact CB-CG 4.2Å; N90-L92 VanDerWaalsContact CG-CG 3.46Å; N90-L92 WeakPolarHBondContact ND2-CD1 3.26Å; N90-L92 PolarHBondContact O-N 1.95Å; N90-L92 VanDerWaalsContact O-N 3.12Å; N90-L92 WeakPolarHBondContact OD1-CB 3.1Å; N90-L92 WeakPolarHBondContact OD1-CG 3.48Å; N90-L92 PolarHBondContact OD1-N 3.45Å
91	G	90.3	Very high	93.7	Very high	7 Å²	7	50.5 Å²	50.5	7%	0.072	25%	0.251	C	S	.	.			trans	73.5	-6.2	179.7	0	0	0	0	0	115.3	R88 T89 G124	R88-G91 PolarHBondContact O-N 2.61Å; T89-G91 VanDerWaalsContact C-N 3.26Å; T89-G91 PolarHBondContact O-N 2.73Å; G91-G124 WeakPolarHBondContact O-CA 3.27Å; G91-G124 PolarHBondContact O-N 2.91Å
92	L	94.4	Very high	93.6	Very high	32 Å²	32	51.3 Å²	51.3	17%	0.168	26%	0.263	C	S	.	.			trans	-65.1	152.8	-176.3	-58	-176.1	0	0	0	111.9	N83 N90 R194	N83-L92 HydrophobicContact CB-CB 3.96Å; N83-L92 VanDerWaalsContact O-O 3.1Å; N90-L92 HydrophobicContact CB-CG 4.2Å; N90-L92 VanDerWaalsContact CG-CG 3.46Å; N90-L92 WeakPolarHBondContact ND2-CD1 3.26Å; N90-L92 PolarHBondContact O-N 1.95Å; N90-L92 VanDerWaalsContact O-N 3.12Å; N90-L92 WeakPolarHBondContact OD1-CB 3.1Å; N90-L92 WeakPolarHBondContact OD1-CG 3.48Å; N90-L92 PolarHBondContact OD1-N 3.45Å; L92-R194 WeakPolarHBondContact O-CD 3.5Å
93	A	95.9	Very high	93.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.			trans	-141.3	173.2	-173.7	0	0	0	0	0	111.5	C79 E80 R123 R194	C79-A93 WeakPolarHBondContact CA-O 3.41Å; E80-A93 PolarHBondContact N-O 3.3Å; A93-R123 HydrophobicContact CB-CB 3.89Å; A93-R123 HydrophobicContact CB-CG 4.03Å; A93-R194 HydrophobicContact CB-CG 3.86Å
94	W	96.1	Very high	93.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	138.4	156.5	167.4	74.8	0	0	0	108.8	S67 S69 T70 A84 A96 E103 L105 T184 S192 L193	S67-W94 VanDerWaalsContact CB-NE1 3.27Å; S67-W94 PolarHBondContact OG-NE1 2.8Å; S69-W94 PolarHBondContact O-NE1 3.25Å; T70-W94 PolarHBondContact OG1-NE1 2.94Å; A84-W94 HydrophobicContact CB-CB 3.71Å; W94-A96 HydrophobicContact CH2-CB 3.97Å; W94-A96 HydrophobicContact CZ2-CB 3.81Å; W94-E103 HydrophobicContact CH2-CB 4.32Å; W94-L105 HydrophobicContact CB-CD1 4.19Å; W94-L105 HydrophobicContact CD2-CB 4.33Å; W94-L105 HydrophobicContact CD2-CD1 3.92Å; W94-L105 HydrophobicContact CE3-CB 4.06Å; W94-L105 HydrophobicContact CE3-CD1 4.38Å; W94-L105 HydrophobicContact CG-CD1 3.85Å; W94-L105 HydrophobicContact CH2-CB 4.31Å; W94-L105 HydrophobicContact CZ3-CB 4.06Å; W94-T184 HydrophobicContact CH2-CG2 4.1Å; W94-T184 HydrophobicContact CZ3-CG2 3.92Å; W94-S192 CarbonylContact O-C 3.54Å; W94-S192 WeakPolarHBondContact O-CA 3.43Å; W94-L193 HydrophobicContact CE3-CB 4.09Å; W94-L193 HydrophobicContact CE3-CD1 4.37Å; W94-L193 HydrophobicContact CZ3-CD1 4.04Å; W94-L193 PolarHBondContact N-O 2.82Å; W94-L193 PolarHBondContact O-N 3.1Å
95	C	95.7	Very high	93.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.8	174.2	-33.9	0	0	0	0	107.1	T70 Y71 C79 P191	T70-C95 WeakPolarHBondContact CA-O 3.39Å; Y71-C95 PolarHBondContact N-O 2.8Å; C79-C95 VanDerWaalsContact CA-SG 3.57Å; C79-C95 HydrophobicContact CB-CB 3.56Å; C79-C95 WeakPolarHBondContact CB-SG 3.49Å; C79-C95 WeakPolarHBondContact SG-CB 3.22Å; C79-C95 CovalentContact SG-SG 2.05Å; C79-C95 PolarHBondContact SG-SG 2.86Å; C95-P191 WeakPolarHBondContact CA-O 3.43Å
96	A	95.8	Very high	93.9	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.			trans	-63.7	153.7	179	0	0	0	0	0	111.2	W94 E103 H190 P191	W94-A96 HydrophobicContact CH2-CB 3.97Å; W94-A96 HydrophobicContact CZ2-CB 3.81Å; A96-E103 HydrophobicContact CB-CB 3.81Å; A96-E103 HydrophobicContact CB-CG 3.71Å; A96-H190 PolarHBondContact O-NE2 3.28Å; A96-P191 HydrophobicContact CB-CB 4.2Å; A96-P191 HydrophobicContact CB-CG 4.19Å; A96-P191 PolarHBondContact N-O 3.07Å
97	K	94.2	Very high	94.1	Very high	95 Å²	95	50.9 Å²	50.9	41%	0.413	26%	0.261	S	S	.	.	S	Bend	trans	-69.8	-43.3	175.1	-174.2	177.5	172.2	-178.8	0	111.4	S69	S69-K97 WeakPolarHBondContact OG-CB 3.46Å; S69-K97 PolarHBondContact OG-N 3.27Å
98	F	93.5	Very high	94.3	Very high	114 Å²	114	45.7 Å²	45.7	50%	0.5	24%	0.239	S	C	.	.	S	Bend	trans	-106.6	147.7	-176.4	-55.1	-73.1	0	0	0	110.9	S100 E103	F98-S100 VanDerWaalsContact C-N 3.26Å; F98-S100 PolarHBondContact O-N 2.9Å; F98-S100 VanDerWaalsContact O-N 3.1Å; F98-E103 WeakPolarHBondContact CD2-OE1 3.5Å; F98-E103 WeakPolarHBondContact O-CG 3.43Å
99	K	93	Very high	94.6	Very high	131 Å²	131	42.5 Å²	42.5	57%	0.57	23%	0.227	S	C	*	.	S	Bend	trans	-84.6	71.4	171.9	-63.5	-173.2	-178.8	-170.1	0	109	W187 N189 H190	K99-W187 VanDerWaalsContact C-CH2 3.42Å; K99-W187 HydrophobicContact CB-CZ2 3.7Å; K99-W187 VanDerWaalsContact O-CZ2 3.29Å; K99-W187 WeakPolarHBondContact O-CZ2 3.27Å; K99-N189 WeakPolarHBondContact CE-O 3.25Å; K99-N189 PolarHBondContact NZ-O 2.55Å; K99-H190 WeakPolarHBondContact CE-ND1 3.33Å
100	S	92.8	Very high	94.9	Very high	39 Å²	39	35.6 Å²	35.6	27%	0.273	19%	0.185	S	C	.	.	S	Bend	trans	-133.5	148.2	-174.7	-179.2	0	0	0	0	111.5	F98 S102 E103 T184 W187	F98-S100 VanDerWaalsContact C-N 3.26Å; F98-S100 PolarHBondContact O-N 2.9Å; F98-S100 VanDerWaalsContact O-N 3.1Å; S100-S102 WeakPolarHBondContact CB-OG 2.94Å; S100-S102 PolarHBondContact O-N 2.87Å; S100-S102 PolarHBondContact OG-N 2.89Å; S100-S102 PolarHBondContact OG-OG 2.92Å; S100-E103 WeakPolarHBondContact O-CG 2.96Å; S100-E103 PolarHBondContact O-N 2.85Å; S100-T184 PolarHBondContact O-OG1 3.15Å; S100-W187 VanDerWaalsContact C-CH2 3.45Å
101	S	91.5	Very high	95.1	Very high	65 Å²	65	32.8 Å²	32.8	46%	0.455	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-1.8	172.5	55.9	0	0	0	0	113.8	E103 T184	S101-E103 VanDerWaalsContact C-N 3.33Å; S101-T184 CarbonylContact C-O 3.56Å; S101-T184 WeakPolarHBondContact CA-O 3.32Å
102	S	91.8	Very high	95.2	Very high	74 Å²	74	36.5 Å²	36.5	52%	0.517	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.4	173.8	62.5	0	0	0	0	113.8	S100	S100-S102 WeakPolarHBondContact CB-OG 2.94Å; S100-S102 PolarHBondContact O-N 2.87Å; S100-S102 PolarHBondContact OG-N 2.89Å; S100-S102 PolarHBondContact OG-OG 2.92Å
103	E	97	Very high	95.2	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.047	18%	0.18	C	C	.	.			trans	-80.6	140.9	-176.8	-61.1	-64.7	147.3	0	0	111.5	S68 S69 W94 A96 F98 S100 S101 H183 T184	S68-E103 WeakPolarHBondContact CB-OE2 3.39Å; S68-E103 WeakPolarHBondContact OG-CA 3.1Å; S68-E103 PolarHBondContact OG-OE2 3.09Å; S69-E103 WeakPolarHBondContact CB-OE2 3.44Å; S69-E103 PolarHBondContact OG-OE1 2.75Å; S69-E103 PolarHBondContact OG-OE2 2.96Å; W94-E103 HydrophobicContact CH2-CB 4.32Å; A96-E103 HydrophobicContact CB-CB 3.81Å; A96-E103 HydrophobicContact CB-CG 3.71Å; F98-E103 WeakPolarHBondContact CD2-OE1 3.5Å; F98-E103 WeakPolarHBondContact O-CG 3.43Å; S100-E103 WeakPolarHBondContact O-CG 2.96Å; S100-E103 PolarHBondContact O-N 2.85Å; S101-E103 VanDerWaalsContact C-N 3.33Å; E103-H183 WeakPolarHBondContact O-CA 3.45Å; E103-T184 PolarHBondContact O-N 2.86Å; E103-T184 PolarHBondContact O-OG1 2.92Å
104	W	97.3	Very high	95.2	Very high	59 Å²	59	35.7 Å²	35.7	22%	0.223	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	150.1	-178.9	55.8	-99.5	0	0	0	112.9	S67 S68 Q106 K181 I182	S67-W104 VanDerWaalsContact C-CH2 3.49Å; S67-W104 CarbonylContact C-O 3.58Å; S67-W104 VanDerWaalsContact CA-O 3.26Å; S67-W104 WeakPolarHBondContact CA-O 3.46Å; S67-W104 WeakPolarHBondContact CB-O 3.2Å; S67-W104 WeakPolarHBondContact O-CH2 3.47Å; S68-W104 PolarHBondContact N-O 2.85Å; S68-W104 PolarHBondContact OG-N 2.7Å; S68-W104 PolarHBondContact OG-O 2.84Å; W104-Q106 HydrophobicContact CE3-CB 3.7Å; W104-Q106 HydrophobicContact CZ3-CB 3.44Å; W104-Q106 VanDerWaalsContact CZ3-CB 3.44Å; W104-K181 HydrophobicContact CD2-CD 4.14Å; W104-K181 HydrophobicContact CD2-CG 4.45Å; W104-K181 HydrophobicContact CE3-CD 4.21Å; W104-K181 HydrophobicContact CE3-CG 4.14Å; W104-K181 HydrophobicContact CG-CD 4.39Å; W104-I182 CarbonylContact C-O 3.57Å; W104-I182 WeakPolarHBondContact CA-O 3.3Å; W104-I182 WeakPolarHBondContact CB-O 3.22Å
105	L	98	Very high	95.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.5	167.4	-176.3	75.7	0	0	0	108.5	I65 A84 W94 K181 I182 V195	I65-L105 HydrophobicContact CG2-CD1 3.8Å; I65-L105 HydrophobicContact CG2-CG 4.36Å; A84-L105 HydrophobicContact CB-CD1 4.22Å; A84-L105 HydrophobicContact CB-CD2 3.56Å; W94-L105 HydrophobicContact CB-CD1 4.19Å; W94-L105 HydrophobicContact CD2-CB 4.33Å; W94-L105 HydrophobicContact CD2-CD1 3.92Å; W94-L105 HydrophobicContact CE3-CB 4.06Å; W94-L105 HydrophobicContact CE3-CD1 4.38Å; W94-L105 HydrophobicContact CG-CD1 3.85Å; W94-L105 HydrophobicContact CH2-CB 4.31Å; W94-L105 HydrophobicContact CZ3-CB 4.06Å; L105-K181 CarbonylContact O-C 3.56Å; L105-K181 VanDerWaalsContact O-CA 3.3Å; L105-K181 WeakPolarHBondContact O-CA 3.07Å; L105-I182 PolarHBondContact N-O 2.94Å; L105-I182 WeakPolarHBondContact O-CD1 3.47Å; L105-I182 PolarHBondContact O-N 2.75Å; L105-V195 HydrophobicContact CD2-CG2 3.83Å
106	Q	97.8	Very high	95.1	Very high	28 Å²	28	36.3 Å²	36.3	13%	0.131	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.7	178.8	-179.6	-175.5	-66.5	0	0	110.7	I65 T66 W104 W144 V180 K181	I65-Q106 WeakPolarHBondContact CA-O 3.43Å; T66-Q106 PolarHBondContact N-O 2.72Å; T66-Q106 PolarHBondContact O-N 3.5Å; T66-Q106 VanDerWaalsContact O-O 3.13Å; T66-Q106 WeakPolarHBondContact OG1-CB 3.46Å; T66-Q106 PolarHBondContact OG1-NE2 2.75Å; W104-Q106 HydrophobicContact CE3-CB 3.7Å; W104-Q106 HydrophobicContact CZ3-CB 3.44Å; W104-Q106 VanDerWaalsContact CZ3-CB 3.44Å; Q106-W144 HydrophobicContact CG-CH2 4.19Å; Q106-V180 CarbonylContact C-O 3.55Å; Q106-V180 VanDerWaalsContact CA-O 3.32Å; Q106-V180 WeakPolarHBondContact CA-O 3.16Å; Q106-K181 HydrophobicContact CB-CG 3.78Å; Q106-K181 HydrophobicContact CG-CG 3.98Å
107	I	98.3	Very high	95.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.9	175	-60.4	169.1	0	0	0	108.2	M55 I60 L109 F179 V180 I182 V195 L197	M55-I107 HydrophobicContact CE-CD1 4.03Å; M55-I107 HydrophobicContact CE-CG1 4.42Å; M55-I107 HydrophobicContact CG-CD1 4.21Å; M55-I107 HydrophobicContact SD-CD1 3.85Å; M55-I107 HydrophobicContact SD-CG1 4.21Å; M55-I107 HydrophobicContact SD-CG2 4.2Å; I60-I107 HydrophobicContact CD1-CG2 3.91Å; I60-I107 HydrophobicContact CG2-CG2 4.15Å; I107-L109 HydrophobicContact CG2-CD2 4.12Å; I107-F179 WeakPolarHBondContact O-CA 3.5Å; I107-V180 PolarHBondContact N-O 3.21Å; I107-V180 PolarHBondContact O-N 2.8Å; I107-I182 HydrophobicContact CD1-CD1 4.06Å; I107-V195 HydrophobicContact CD1-CG2 3.72Å; I107-L197 HydrophobicContact CB-CD1 4.15Å; I107-L197 HydrophobicContact CD1-CD1 3.85Å; I107-L197 HydrophobicContact CD1-CG 4.09Å; I107-L197 HydrophobicContact CG2-CD1 4.02Å
108	D	97.5	Very high	95.3	Very high	15 Å²	15	31.8 Å²	31.8	8%	0.08	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	111.6	167.7	-178.2	5.5	0	0	0	109.3	Q64 G110 R178 F179	Q64-D108 HydrophobicContact CB-CB 4.3Å; Q64-D108 WeakPolarHBondContact CB-O 3.33Å; Q64-D108 PolarHBondContact NE2-O 2.83Å; Q64-D108 PolarHBondContact O-N 2.97Å; D108-G110 PolarHBondContact O-N 3.33Å; D108-G110 VanDerWaalsContact OD1-CA 3.3Å; D108-G110 WeakPolarHBondContact OD1-CA 3.38Å; D108-G110 PolarHBondContact OD1-N 2.86Å; D108-R178 VanDerWaalsContact OD1-CG 3.32Å; D108-R178 WeakPolarHBondContact OD1-CG 3.32Å; D108-R178 IonicContact OD1-CZ 3.01Å; D108-R178 IonicContact OD1-NE 3.17Å; D108-R178 PolarHBondContact OD1-NE 2.99Å; D108-R178 IonicContact OD1-NH2 3.74Å; D108-R178 IonicContact OD2-CZ 3.01Å; D108-R178 IonicContact OD2-NE 3.07Å; D108-R178 IonicContact OD2-NH2 2.69Å; D108-R178 PolarHBondContact OD2-NH2 2.75Å; D108-F179 HydrophobicContact CB-CD1 3.76Å; D108-F179 HydrophobicContact CB-CE1 3.71Å; D108-F179 WeakPolarHBondContact OD1-CE1 3.26Å; D108-F179 WeakPolarHBondContact OD2-CE1 3.26Å
109	L	96.8	Very high	95.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	-12.5	177.1	-61.2	172.9	0	0	0	112.3	L53 I60 I107 V111 A113 V115 R178 V180 L197 Q201 K204	L53-L109 HydrophobicContact CB-CD2 4.2Å; L53-L109 HydrophobicContact CD1-CD1 4.05Å; L53-L109 HydrophobicContact CD1-CD2 4.01Å; I60-L109 HydrophobicContact CD1-CD2 3.78Å; I107-L109 HydrophobicContact CG2-CD2 4.12Å; L109-V111 PolarHBondContact O-N 2.89Å; L109-A113 HydrophobicContact CD1-CB 3.69Å; L109-V115 HydrophobicContact CD1-CG2 3.92Å; L109-R178 VanDerWaalsContact CB-O 3.27Å; L109-R178 WeakPolarHBondContact CB-O 3.27Å; L109-R178 WeakPolarHBondContact CG-O 3.49Å; L109-R178 PolarHBondContact N-O 3Å; L109-V180 HydrophobicContact CD1-CG2 4.32Å; L109-L197 HydrophobicContact CD2-CD1 3.93Å; L109-Q201 PolarHBondContact O-NE2 2.97Å; L109-K204 PolarHBondContact O-NZ 3.35Å
110	G	94.9	Very high	95.7	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.031	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.7	-47.6	178.9	0	0	0	0	0	113.2	D108 R178 Y321	D108-G110 PolarHBondContact O-N 3.33Å; D108-G110 VanDerWaalsContact OD1-CA 3.3Å; D108-G110 WeakPolarHBondContact OD1-CA 3.38Å; D108-G110 PolarHBondContact OD1-N 2.86Å; G110-R178 WeakPolarHBondContact O-CD 3.38Å; G110-R178 VanDerWaalsContact O-CZ 3.28Å; G110-R178 PolarHBondContact O-NE 2.92Å; G110-R178 VanDerWaalsContact O-NE 3.13Å; G110-Y321 VanDerWaalsContact CA-CE2 3.45Å; G110-Y321 VanDerWaalsContact CA-CG 3.5Å; G110-Y321 VanDerWaalsContact O-CB 3.29Å; G110-Y321 WeakPolarHBondContact O-CB 3.49Å
111	V	93.7	Very high	95.9	Very high	16 Å²	16	20.1 Å²	20.1	10%	0.097	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.1	172.8	-175.6	0	0	0	0	107.8	L109 A113 Q201 C203 K204 T264 Y321	L109-V111 PolarHBondContact O-N 2.89Å; V111-A113 PolarHBondContact O-N 2.93Å; V111-Q201 PolarHBondContact O-NE2 3.11Å; V111-C203 HydrophobicContact CG1-CB 4.33Å; V111-K204 HydrophobicContact CB-CB 4.43Å; V111-K204 HydrophobicContact CG2-CB 4.19Å; V111-K204 HydrophobicContact CG2-CG 4.24Å; V111-T264 HydrophobicContact CG1-CG2 4.06Å; V111-Y321 HydrophobicContact CG2-CD1 3.87Å; V111-Y321 HydrophobicContact CG2-CE1 4.18Å
112	Q	93.6	Very high	96.2	Very high	85 Å²	85	17 Å²	17	40%	0.397	9%	0.09	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	132.8	174	-170.3	-179.4	62.5	0	0	110.3	D139 R176	Q112-D139 PolarHBondContact NE2-OD1 2.92Å; Q112-D139 PolarHBondContact NE2-OD2 3.33Å; Q112-R176 HydrophobicContact CG-CB 4.47Å
113	A	94.5	Very high	96.3	Very high	5 Å²	5	14.3 Å²	14.3	4%	0.041	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	161.6	175.2	0	0	0	0	0	109.5	L53 L109 V111 R176 A177 Q201	L53-A113 HydrophobicContact CD1-CB 4.28Å; L109-A113 HydrophobicContact CD1-CB 3.69Å; V111-A113 PolarHBondContact O-N 2.93Å; A113-R176 WeakPolarHBondContact O-CA 3.45Å; A113-A177 PolarHBondContact N-O 2.93Å; A113-A177 PolarHBondContact O-N 2.91Å; A113-Q201 HydrophobicContact CB-CB 3.88Å; A113-Q201 HydrophobicContact CB-CG 3.77Å
114	L	94.7	Very high	96.1	Very high	11 Å²	11	15.7 Å²	15.7	6%	0.058	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	120.4	163.4	-172.9	79.1	0	0	0	107	L43 P174 I175 R176 G199 C200	L43-L114 HydrophobicContact CD1-CD1 4.29Å; L43-L114 HydrophobicContact CD2-CD1 4.42Å; L43-L114 HydrophobicContact CG-CD1 4.44Å; L43-L114 HydrophobicContact CG-CD2 4.36Å; L114-P174 HydrophobicContact CD1-CB 3.76Å; L114-P174 HydrophobicContact CD2-CB 4.07Å; L114-P174 HydrophobicContact CG-CB 3.84Å; L114-I175 CarbonylContact C-O 3.4Å; L114-I175 WeakPolarHBondContact CA-O 3.48Å; L114-R176 HydrophobicContact CD1-CG 3.52Å; L114-G199 WeakPolarHBondContact O-CA 3.13Å; L114-C200 PolarHBondContact N-O 3.28Å; L114-C200 PolarHBondContact O-N 3.13Å
115	V	95.9	Very high	95.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.1	-178.4	-171.2	0	0	0	0	107.7	L53 L109 F171 I175 V180 L197 V198	L53-V115 HydrophobicContact CD1-CG2 3.98Å; L109-V115 HydrophobicContact CD1-CG2 3.92Å; V115-F171 HydrophobicContact CB-CE2 4.44Å; V115-F171 HydrophobicContact CG1-CE2 3.9Å; V115-I175 HydrophobicContact CB-CD1 4.27Å; V115-I175 HydrophobicContact CB-CG1 3.75Å; V115-I175 HydrophobicContact CG2-CG1 4.43Å; V115-I175 PolarHBondContact N-O 2.82Å; V115-I175 PolarHBondContact O-N 3Å; V115-V180 HydrophobicContact CG2-CG2 4.24Å; V115-L197 HydrophobicContact CG1-CB 4.43Å; V115-L197 HydrophobicContact CG1-CD2 4.35Å; V115-V198 WeakPolarHBondContact CA-O 3.48Å; V115-V198 WeakPolarHBondContact CG1-O 3.47Å
116	T	95.4	Very high	95.4	Very high	12 Å²	12	17.7 Å²	17.7	7%	0.074	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-16.1	-176.1	58.1	0	0	0	0	112.3	D50 Y170 F171 P174 V198 G199	D50-T116 WeakPolarHBondContact OD1-CG2 3.3Å; D50-T116 PolarHBondContact OD1-OG1 3.48Å; D50-T116 WeakPolarHBondContact OD2-CB 3.3Å; D50-T116 WeakPolarHBondContact OD2-CG2 3.39Å; D50-T116 PolarHBondContact OD2-OG1 2.81Å; T116-Y170 WeakPolarHBondContact O-CA 3.45Å; T116-F171 PolarHBondContact O-N 3.25Å; T116-P174 HydrophobicContact CG2-CB 4.06Å; T116-P174 HydrophobicContact CG2-CG 4.16Å; T116-V198 PolarHBondContact N-O 2.75Å; T116-V198 PolarHBondContact OG1-O 2.9Å; T116-G199 WeakPolarHBondContact OG1-CA 3.23Å
117	G	95.3	Very high	95.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	-179.3	177.2	0	0	0	0	0	114.7	N169 V198	G117-N169 CarbonylContact C-O 3.46Å; G117-N169 WeakPolarHBondContact CA-O 3.4Å; G117-V198 PolarHBondContact N-O 2.82Å; G117-V198 PolarHBondContact O-N 2.84Å
118	I	97.6	Very high	95	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	137.9	178.9	-172.3	168.7	0	0	0	110.5	T120 F133 N169 F171 I182 V195 E196 L197	I118-T120 HydrophobicContact CD1-CG2 4.3Å; I118-T120 HydrophobicContact CG1-CG2 4.14Å; I118-F133 HydrophobicContact CD1-CE2 4.39Å; I118-F133 HydrophobicContact CG2-CE2 3.78Å; I118-F133 HydrophobicContact CG2-CZ 3.68Å; I118-N169 HydrophobicContact CG2-CB 3.95Å; I118-N169 PolarHBondContact N-O 2.03Å; I118-N169 PolarHBondContact O-N 3.42Å; I118-F171 HydrophobicContact CG2-CE1 4.29Å; I118-F171 HydrophobicContact CG2-CZ 4.49Å; I118-I182 HydrophobicContact CD1-CD1 4.12Å; I118-I182 HydrophobicContact CD1-CG1 3.43Å; I118-I182 VanDerWaalsContact CD1-CG1 3.43Å; I118-V195 HydrophobicContact CD1-CG1 4.48Å; I118-E196 WeakPolarHBondContact CA-O 3.5Å; I118-L197 HydrophobicContact CB-CD2 4.23Å; I118-L197 HydrophobicContact CD1-CD2 3.97Å; I118-L197 HydrophobicContact CG1-CD2 4.01Å
119	M	97.8	Very high	95	Very high	30 Å²	30	21.7 Å²	21.7	15%	0.148	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	133.9	170.8	-57.2	-178.2	-174.1	0	0	109.1	L86 V166 K167 H168 V195 E196 V198	L86-M119 HydrophobicContact CD1-CB 4.46Å; L86-M119 HydrophobicContact CD2-CB 3.79Å; L86-M119 HydrophobicContact CD2-SD 4.11Å; M119-V166 HydrophobicContact CB-CG1 3.94Å; M119-V166 HydrophobicContact CG-CG1 4.5Å; M119-K167 CarbonylContact C-O 3.53Å; M119-K167 VanDerWaalsContact CA-O 3.3Å; M119-K167 WeakPolarHBondContact CA-O 3.37Å; M119-H168 VanDerWaalsContact CE-CD2 3.47Å; M119-H168 WeakPolarHBondContact CE-CD2 3.49Å; M119-V195 CarbonylContact O-C 3.51Å; M119-V195 VanDerWaalsContact O-CA 3.27Å; M119-V195 WeakPolarHBondContact O-CA 3.16Å; M119-E196 HydrophobicContact CB-CB 4.35Å; M119-E196 PolarHBondContact N-O 2.82Å; M119-E196 PolarHBondContact O-N 3Å; M119-V198 HydrophobicContact CE-CG2 3.51Å; M119-V198 HydrophobicContact CG-CG2 3.93Å; M119-V198 HydrophobicContact SD-CG2 4.23Å
120	T	98.1	Very high	95.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.7	-180	67.3	0	0	0	0	111.8	I118 F133 N160 V166 K167 L193 R194 V195	I118-T120 HydrophobicContact CD1-CG2 4.3Å; I118-T120 HydrophobicContact CG1-CG2 4.14Å; T120-F133 HydrophobicContact CG2-CE1 3.87Å; T120-F133 HydrophobicContact CG2-CZ 3.97Å; T120-N160 WeakPolarHBondContact CB-OD1 3.23Å; T120-N160 PolarHBondContact O-ND2 3.09Å; T120-N160 PolarHBondContact O-OD1 2.92Å; T120-N160 PolarHBondContact OG1-OD1 2.81Å; T120-V166 WeakPolarHBondContact O-CA 3.44Å; T120-K167 PolarHBondContact N-O 3.37Å; T120-K167 PolarHBondContact O-N 2.64Å; T120-L193 HydrophobicContact CG2-CD2 4.37Å; T120-R194 CarbonylContact C-O 3.54Å; T120-R194 WeakPolarHBondContact CA-O 3.33Å; T120-V195 HydrophobicContact CG2-CG1 4.19Å
121	Q	96.9	Very high	95.2	Very high	8 Å²	8	23.7 Å²	23.7	4%	0.037	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	151	168.7	-91.5	176	-23.5	0	0	109.8	L86 N160 Y164 S165 V166 R194	L86-Q121 HydrophobicContact CD1-CB 3.71Å; L86-Q121 HydrophobicContact CD1-CG 3.69Å; L86-Q121 HydrophobicContact CG-CG 4.41Å; Q121-N160 WeakPolarHBondContact CA-ND2 2.97Å; Q121-Y164 PolarHBondContact NE2-O 3.1Å; Q121-S165 WeakPolarHBondContact CG-O 3.32Å; Q121-V166 HydrophobicContact CG-CB 4.32Å; Q121-V166 HydrophobicContact CG-CG2 3.74Å; Q121-R194 HydrophobicContact CB-CB 4.01Å; Q121-R194 PolarHBondContact N-O 2.68Å; Q121-R194 PolarHBondContact O-N 2.88Å
122	G	96.4	Very high	95.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.142	C	C	.	.			trans	-69.6	-176.3	166.1	0	0	0	0	0	113.1	S163 R194	G122-S163 CarbonylContact C-O 3.57Å; G122-R194 PolarHBondContact O-NE 2.89Å; G122-R194 PolarHBondContact O-NH2 2.92Å
123	R	95.1	Very high	95.6	Very high	17 Å²	17	19.6 Å²	19.6	6%	0.064	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-77.7	121.8	173.5	179.5	176.8	176.1	-177.1	-0.7	110.3	C79 A93 D125 G126 E128 S163	C79-R123 PolarHBondContact SG-NH1 2.63Å; C79-R123 VanDerWaalsContact SG-NH1 3.43Å; A93-R123 HydrophobicContact CB-CB 3.89Å; A93-R123 HydrophobicContact CB-CG 4.03Å; R123-D125 WeakPolarHBondContact CD-OD1 3.42Å; R123-D125 WeakPolarHBondContact CG-OD1 3.36Å; R123-D125 IonicContact CZ-OD1 3.92Å; R123-D125 IonicContact CZ-OD2 3.53Å; R123-D125 VanDerWaalsContact NE-CG 3.32Å; R123-D125 IonicContact NE-OD1 3.35Å; R123-D125 PolarHBondContact NE-OD1 3.2Å; R123-D125 IonicContact NE-OD2 2.63Å; R123-D125 PolarHBondContact NE-OD2 2.81Å; R123-D125 IonicContact NH2-OD1 2.69Å; R123-D125 IonicContact NH2-OD2 2.87Å; R123-D125 PolarHBondContact NH2-OD2 2.72Å; R123-G126 PolarHBondContact O-N 2.84Å; R123-E128 HydrophobicContact CB-CB 4.27Å; R123-E128 VanDerWaalsContact CD-OE2 3.24Å; R123-E128 WeakPolarHBondContact CD-OE2 3.02Å; R123-E128 IonicContact CZ-OE2 3.92Å; R123-E128 PolarHBondContact N-O 2.93Å; R123-E128 IonicContact NH1-OE1 3.68Å; R123-E128 IonicContact NH1-OE2 2.97Å; R123-E128 PolarHBondContact NH1-OE2 3.43Å; R123-S163 VanDerWaalsContact O-CB 3.26Å; R123-S163 WeakPolarHBondContact O-CB 3.41Å
124	G	91.8	Very high	95.8	Very high	39 Å²	39	20.5 Å²	20.5	40%	0.402	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-23.1	-173.1	0	0	0	0	0	115.4	G91	G91-G124 WeakPolarHBondContact O-CA 3.27Å; G91-G124 PolarHBondContact O-N 2.91Å
125	D	91.2	Very high	95.9	Very high	76 Å²	76	20 Å²	20	41%	0.406	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5.8	176.6	65.8	-47.6	0	0	0	113.5	R123	R123-D125 WeakPolarHBondContact CD-OD1 3.42Å; R123-D125 WeakPolarHBondContact CG-OD1 3.36Å; R123-D125 IonicContact CZ-OD1 3.92Å; R123-D125 IonicContact CZ-OD2 3.53Å; R123-D125 VanDerWaalsContact NE-CG 3.32Å; R123-D125 IonicContact NE-OD1 3.35Å; R123-D125 PolarHBondContact NE-OD1 3.2Å; R123-D125 IonicContact NE-OD2 2.63Å; R123-D125 PolarHBondContact NE-OD2 2.81Å; R123-D125 IonicContact NH2-OD1 2.69Å; R123-D125 IonicContact NH2-OD2 2.87Å; R123-D125 PolarHBondContact NH2-OD2 2.72Å
126	G	89.1	Confident	96	Very high	26 Å²	26	20.1 Å²	20.1	27%	0.268	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-152.7	175.5	-178.2	0	0	0	0	0	113.1	R123 E128 S163	R123-G126 PolarHBondContact O-N 2.84Å; G126-E128 PolarHBondContact O-N 3.26Å; G126-S163 WeakPolarHBondContact O-CB 3.39Å; G126-S163 PolarHBondContact O-OG 2.84Å
127	S	94.1	Very high	96.2	Very high	60 Å²	60	21.9 Å²	21.9	42%	0.42	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	57.1	177.8	-167	0	0	0	0	110.9	W129 S163 H188 N189	S127-W129 VanDerWaalsContact C-CZ3 3.49Å; S127-W129 VanDerWaalsContact OG-CZ3 3.26Å; S127-W129 WeakPolarHBondContact OG-CZ3 3.38Å; S127-S163 WeakPolarHBondContact CA-OG 3.04Å; S127-H188 PolarHBondContact O-ND1 2.86Å; S127-N189 WeakPolarHBondContact O-CB 3.4Å; S127-N189 PolarHBondContact O-ND2 3.33Å
128	E	95.1	Very high	96.3	Very high	43 Å²	43	22.1 Å²	22.1	20%	0.201	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-132.5	127.9	-173.2	-61.6	172.6	168.4	0	0	110.5	R123 G126 N189 H190 S192	R123-E128 HydrophobicContact CB-CB 4.27Å; R123-E128 VanDerWaalsContact CD-OE2 3.24Å; R123-E128 WeakPolarHBondContact CD-OE2 3.02Å; R123-E128 IonicContact CZ-OE2 3.92Å; R123-E128 PolarHBondContact N-O 2.93Å; R123-E128 IonicContact NH1-OE1 3.68Å; R123-E128 IonicContact NH1-OE2 2.97Å; R123-E128 PolarHBondContact NH1-OE2 3.43Å; G126-E128 PolarHBondContact O-N 3.26Å; E128-N189 HydrophobicContact CG-CB 4.18Å; E128-H190 HydrophobicContact CB-CB 4.3Å; E128-H190 HydrophobicContact CG-CB 3.89Å; E128-S192 PolarHBondContact OE2-OG 3.43Å; E128-S192 VanDerWaalsContact OE2-OG 3.13Å
129	W	97.4	Very high	96.1	Very high	23 Å²	23	26 Å²	26	9%	0.087	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	157.1	178.7	57.4	89.2	0	0	0	111.9	S127 N160 S161 D162 S163 W187 H188	S127-W129 VanDerWaalsContact C-CZ3 3.49Å; S127-W129 VanDerWaalsContact OG-CZ3 3.26Å; S127-W129 WeakPolarHBondContact OG-CZ3 3.38Å; W129-N160 HydrophobicContact CB-CB 4.06Å; W129-N160 HydrophobicContact CG-CB 4.22Å; W129-N160 PolarHBondContact NE1-O 2.82Å; W129-S161 VanDerWaalsContact CZ2-O 3.23Å; W129-S161 WeakPolarHBondContact CZ2-O 3.33Å; W129-S161 PolarHBondContact NE1-O 3.08Å; W129-D162 VanDerWaalsContact CE3-C 3.46Å; W129-S163 WeakPolarHBondContact CZ3-OG 3.43Å; W129-W187 CarbonylContact O-C 3.56Å; W129-W187 VanDerWaalsContact O-CA 3.31Å; W129-W187 WeakPolarHBondContact O-CA 3.46Å; W129-W187 VanDerWaalsContact O-CB 3.31Å; W129-W187 WeakPolarHBondContact O-CB 3.45Å; W129-H188 HydrophobicContact CD2-CB 3.88Å; W129-H188 AromaticContact CE2-CG 3.64Å; W129-H188 AromaticContact CE2-ND1 3.83Å; W129-H188 HydrophobicContact CG-CB 4.21Å; W129-H188 HydrophobicContact CH2-CB 4.42Å; W129-H188 AromaticContact CH2-CE1 3.54Å; W129-H188 AromaticContact CH2-CG 3.8Å; W129-H188 AromaticContact CH2-ND1 3.26Å; W129-H188 VanDerWaalsContact CH2-ND1 3.26Å; W129-H188 WeakPolarHBondContact CH2-ND1 3.35Å; W129-H188 HydrophobicContact CZ2-CB 3.68Å; W129-H188 AromaticContact CZ2-CD2 3.9Å; W129-H188 AromaticContact CZ2-CE1 3.86Å; W129-H188 AromaticContact CZ2-CG 3.37Å; W129-H188 AromaticContact CZ2-ND1 3.37Å; W129-H188 WeakPolarHBondContact CZ2-ND1 3.37Å; W129-H188 AromaticContact CZ3-ND1 3.65Å; W129-H188 PolarHBondContact N-O 3.29Å; W129-H188 PolarHBondContact O-N 3.01Å
130	V	98.1	Very high	95.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127.1	172.8	173	0	0	0	0	109.5	S132 F133 N160 T184 T186 W187 P191 S192 L193	V130-S132 WeakPolarHBondContact CG1-O 3.43Å; V130-F133 HydrophobicContact CG1-CB 4.08Å; V130-N160 PolarHBondContact O-N 2.96Å; V130-T184 HydrophobicContact CG1-CG2 4.49Å; V130-T184 HydrophobicContact CG2-CG2 3.74Å; V130-T186 WeakPolarHBondContact CG1-O 3.39Å; V130-W187 HydrophobicContact CG2-CB 4.47Å; V130-P191 HydrophobicContact CG2-CB 4.23Å; V130-S192 PolarHBondContact N-O 2.53Å; V130-L193 HydrophobicContact CB-CD2 3.75Å; V130-L193 HydrophobicContact CB-CG 4.07Å; V130-L193 HydrophobicContact CG1-CD2 4.48Å; V130-L193 HydrophobicContact CG2-CD1 4.06Å; V130-L193 HydrophobicContact CG2-CD2 3.9Å; V130-L193 HydrophobicContact CG2-CG 3.63Å
131	T	98.2	Very high	95.4	Very high	46 Å²	46	29.8 Å²	29.8	28%	0.282	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-20.2	-178.1	51.2	0	0	0	0	112.7	G159 T186 W187 H188	T131-G159 WeakPolarHBondContact O-CA 3.48Å; T131-G159 PolarHBondContact O-N 3.48Å; T131-T186 PolarHBondContact N-O 3.25Å; T131-T186 WeakPolarHBondContact OG1-CB 3.18Å; T131-T186 PolarHBondContact OG1-O 3.01Å; T131-T186 PolarHBondContact OG1-OG1 2.91Å; T131-W187 PolarHBondContact OG1-N 2.69Å; T131-H188 HydrophobicContact CG2-CB 4.31Å
132	S	98.1	Very high	95.2	Very high	14 Å²	14	36.4 Å²	36.4	10%	0.098	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	153.3	165.9	67.1	0	0	0	0	112	V130 F157 Y185 T186	V130-S132 WeakPolarHBondContact CG1-O 3.43Å; S132-F157 WeakPolarHBondContact CA-O 3.29Å; S132-F157 WeakPolarHBondContact CB-O 3.12Å; S132-Y185 WeakPolarHBondContact O-CA 3.11Å; S132-Y185 WeakPolarHBondContact O-CB 3.5Å; S132-Y185 PolarHBondContact O-N 2.99Å; S132-Y185 WeakPolarHBondContact OG-CD1 3.15Å; S132-T186 PolarHBondContact N-O 3.25Å; S132-T186 VanDerWaalsContact N-O 3.16Å; S132-T186 PolarHBondContact N-OG1 2.86Å; S132-T186 PolarHBondContact O-N 2.94Å; S132-T186 VanDerWaalsContact O-N 3.15Å; S132-T186 PolarHBondContact OG-N 3.4Å; S132-T186 PolarHBondContact OG-OG1 3.06Å
133	F	98	Very high	95.1	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	164.2	-176.2	64.2	-87.5	0	0	0	112.1	I118 T120 V130 V135 F157 N169 I182 H183	I118-F133 HydrophobicContact CD1-CE2 4.39Å; I118-F133 HydrophobicContact CG2-CE2 3.78Å; I118-F133 HydrophobicContact CG2-CZ 3.68Å; T120-F133 HydrophobicContact CG2-CE1 3.87Å; T120-F133 HydrophobicContact CG2-CZ 3.97Å; V130-F133 HydrophobicContact CG1-CB 4.08Å; F133-V135 HydrophobicContact CD2-CG2 3.92Å; F133-V135 HydrophobicContact CE2-CG2 3.72Å; F133-F157 HydrophobicContact CD1-CB 4.21Å; F133-F157 HydrophobicContact CD2-CB 4.06Å; F133-F157 HydrophobicContact CD2-CD2 4.26Å; F133-F157 HydrophobicContact CE1-CB 3.79Å; F133-F157 HydrophobicContact CE2-CB 3.64Å; F133-F157 AromaticContact CE2-CD2 3.92Å; F133-F157 HydrophobicContact CE2-CD2 3.92Å; F133-F157 AromaticContact CE2-CG 3.92Å; F133-F157 HydrophobicContact CE2-CG 3.92Å; F133-F157 HydrophobicContact CG-CB 4.33Å; F133-F157 HydrophobicContact CZ-CB 3.48Å; F133-F157 VanDerWaalsContact CZ-CB 3.48Å; F133-F157 HydrophobicContact CZ-CG 4.1Å; F133-F157 PolarHBondContact N-O 2.97Å; F133-F157 VanDerWaalsContact N-O 3.09Å; F133-F157 PolarHBondContact O-N 2.86Å; F133-N169 HydrophobicContact CZ-CB 4.43Å; F133-I182 HydrophobicContact CB-CG2 4.12Å; F133-I182 HydrophobicContact CD2-CG2 3.78Å; F133-I182 HydrophobicContact CE2-CG2 4.49Å; F133-I182 HydrophobicContact CG-CG2 4.08Å; F133-H183 CarbonylContact C-O 3.17Å; F133-H183 VanDerWaalsContact CA-O 3.22Å; F133-H183 WeakPolarHBondContact CA-O 3.43Å; F133-H183 VanDerWaalsContact CB-O 3.24Å; F133-H183 WeakPolarHBondContact CB-O 3.3Å
134	M	97.4	Very high	95.2	Very high	25 Å²	25	45.2 Å²	45.2	12%	0.123	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	156.1	171	-64.5	178.9	-71.3	0	0	109.8	F146 Q154 I156 H183 Y185	M134-F146 HydrophobicContact CB-CD1 4.44Å; M134-F146 HydrophobicContact CB-CE1 4.43Å; M134-Q154 HydrophobicContact SD-CB 4.35Å; M134-I156 HydrophobicContact CG-CG1 4.02Å; M134-I156 HydrophobicContact SD-CG1 4.25Å; M134-H183 HydrophobicContact CB-CB 4.39Å; M134-H183 PolarHBondContact N-O 2.77Å; M134-H183 PolarHBondContact O-N 3.48Å; M134-Y185 HydrophobicContact CE-CD2 3.85Å; M134-Y185 HydrophobicContact CE-CE2 4.37Å
135	V	98.1	Very high	95.5	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.2	178.5	-178.4	0	0	0	0	109.8	F133 F146 V147 F157 F171 V180 K181	F133-V135 HydrophobicContact CD2-CG2 3.92Å; F133-V135 HydrophobicContact CE2-CG2 3.72Å; V135-F146 WeakPolarHBondContact O-CA 3.31Å; V135-V147 HydrophobicContact CB-CB 4.45Å; V135-V147 HydrophobicContact CB-CG2 3.85Å; V135-V147 HydrophobicContact CG1-CG2 3.9Å; V135-V147 PolarHBondContact O-N 2.72Å; V135-F157 HydrophobicContact CB-CE2 4.19Å; V135-F157 HydrophobicContact CG2-CD2 4.03Å; V135-F157 HydrophobicContact CG2-CE2 3.91Å; V135-F171 HydrophobicContact CB-CZ 4.43Å; V135-F171 HydrophobicContact CG1-CZ 4.11Å; V135-F171 HydrophobicContact CG2-CE1 4.3Å; V135-F171 HydrophobicContact CG2-CZ 4.26Å; V135-V180 HydrophobicContact CG1-CG1 3.78Å; V135-K181 WeakPolarHBondContact CA-O 3.09Å
136	S	97.7	Very high	95.8	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	153.4	167.1	82.5	0	0	0	0	111.3	K145 K181 H183	S136-K145 CarbonylContact C-O 3.5Å; S136-K145 WeakPolarHBondContact CA-O 3.49Å; S136-K145 VanDerWaalsContact CB-O 3.26Å; S136-K145 WeakPolarHBondContact CB-O 3.42Å; S136-K181 PolarHBondContact N-O 2.93Å; S136-K181 PolarHBondContact O-N 3.21Å; S136-H183 PolarHBondContact OG-NE2 2.94Å
137	Y	98.3	Very high	96.1	Very high	48 Å²	48	48.6 Å²	48.6	19%	0.188	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.6	-172.9	65	-88.9	0	0	0	112	W144 K145 V147 I175 A177 F179	Y137-W144 WeakPolarHBondContact O-CA 3.36Å; Y137-K145 HydrophobicContact CD1-CB 4.44Å; Y137-K145 WeakPolarHBondContact CD1-O 3.31Å; Y137-K145 HydrophobicContact CD2-CB 4.5Å; Y137-K145 HydrophobicContact CE1-CB 3.9Å; Y137-K145 HydrophobicContact CE2-CB 3.96Å; Y137-K145 HydrophobicContact CE2-CD 4.16Å; Y137-K145 PolarHBondContact N-O 3.06Å; Y137-K145 PolarHBondContact O-N 2.98Å; Y137-V147 HydrophobicContact CD1-CG2 3.98Å; Y137-V147 HydrophobicContact CE1-CG2 4.16Å; Y137-I175 HydrophobicContact CD1-CB 4.34Å; Y137-I175 HydrophobicContact CD1-CD1 3.79Å; Y137-I175 HydrophobicContact CD1-CG2 4.17Å; Y137-I175 HydrophobicContact CD2-CB 4.46Å; Y137-I175 HydrophobicContact CE1-CB 4.34Å; Y137-I175 HydrophobicContact CE1-CG2 3.86Å; Y137-I175 HydrophobicContact CE2-CB 4.46Å; Y137-I175 HydrophobicContact CG-CB 4.4Å; Y137-I175 HydrophobicContact CG-CD1 3.87Å; Y137-A177 HydrophobicContact CD2-CB 4.03Å; Y137-A177 HydrophobicContact CG-CB 4.27Å; Y137-F179 CarbonylContact C-O 3.6Å; Y137-F179 VanDerWaalsContact CA-O 3.27Å; Y137-F179 WeakPolarHBondContact CA-O 3.27Å
138	S	97.5	Very high	96.2	Very high	5 Å²	5	48.9 Å²	48.9	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	154.5	-176.7	-177.9	0	0	0	0	111.5	D140 A141 H143 R178 F179	S138-D140 PolarHBondContact OG-N 3.25Å; S138-D140 PolarHBondContact OG-OD1 3.37Å; S138-A141 WeakPolarHBondContact OG-CA 3.13Å; S138-A141 PolarHBondContact OG-N 2.95Å; S138-H143 WeakPolarHBondContact CB-O 3.24Å; S138-H143 PolarHBondContact OG-O 2.68Å; S138-R178 PolarHBondContact O-N 2.94Å; S138-R178 VanDerWaalsContact O-N 3.1Å; S138-F179 PolarHBondContact N-O 3.26Å; S138-F179 PolarHBondContact O-N 2.9Å
139	D	93.1	Very high	96	Very high	84 Å²	84	48.7 Å²	48.7	45%	0.449	24%	0.244	S	C	.	.	S	Bend	trans	-97.8	-23.2	170.5	-73.6	-38.8	0	0	0	113.1	Q112 A177 R178 F179	Q112-D139 PolarHBondContact NE2-OD1 2.92Å; Q112-D139 PolarHBondContact NE2-OD2 3.33Å; D139-A177 WeakPolarHBondContact OD1-CA 3.44Å; D139-R178 PolarHBondContact OD1-N 2.83Å; D139-F179 WeakPolarHBondContact O-CE2 3.45Å
140	D	90.6	Very high	95.5	Very high	73 Å²	73	54.8 Å²	54.8	39%	0.39	27%	0.274	S	S	.	.	S	Bend	trans	-119.6	-2.1	-172.4	67.2	0.1	0	0	0	113.9	S138 M142 H143	S138-D140 PolarHBondContact OG-N 3.25Å; S138-D140 PolarHBondContact OG-OD1 3.37Å; D140-M142 PolarHBondContact O-N 3.14Å; D140-M142 VanDerWaalsContact O-N 3.15Å; D140-M142 PolarHBondContact OD1-N 3.02Å; D140-H143 PolarHBondContact OD1-N 2.77Å; D140-H143 IonicContact OD1-ND1 2.72Å; D140-H143 IonicContact OD2-CE1 3.3Å; D140-H143 IonicContact OD2-CG 3.15Å; D140-H143 IonicContact OD2-ND1 3.4Å; D140-H143 PolarHBondContact OD2-ND1 3.25Å
141	A	92.1	Very high	95.2	Very high	36 Å²	36	62.5 Å²	62.5	30%	0.298	30%	0.304	S	S	.	.	S	Bend	trans	60.7	8.3	-172.8	0	0	0	0	0	115.3	S138 W144 F179	S138-A141 WeakPolarHBondContact OG-CA 3.13Å; S138-A141 PolarHBondContact OG-N 2.95Å; A141-W144 HydrophobicContact CB-CZ2 4.17Å; A141-W144 PolarHBondContact O-NE1 2.04Å; A141-F179 HydrophobicContact CB-CD1 4.13Å; A141-F179 HydrophobicContact CB-CD2 3.8Å; A141-F179 HydrophobicContact CB-CE1 4.08Å; A141-F179 HydrophobicContact CB-CE2 3.76Å; A141-F179 HydrophobicContact CB-CG 3.98Å; A141-F179 HydrophobicContact CB-CZ 3.91Å
142	M	91.8	Very high	94.7	Very high	147 Å²	147	64 Å²	64	72%	0.724	32%	0.321	S	S	*	.	S	Bend	trans	-107.2	-48.2	176.3	-63.4	-154.8	-62.4	0	0	111.5	D140	D140-M142 PolarHBondContact O-N 3.14Å; D140-M142 VanDerWaalsContact O-N 3.15Å; D140-M142 PolarHBondContact OD1-N 3.02Å
143	H	95.5	Very high	94.5	Very high	138 Å²	138	68 Å²	68	64%	0.639	34%	0.341	S	S	*	.	S	Bend	trans	-98.4	114.6	179.1	-58.7	93.7	0	0	0	109.5	S138 D140	S138-H143 WeakPolarHBondContact CB-O 3.24Å; S138-H143 PolarHBondContact OG-O 2.68Å; D140-H143 PolarHBondContact OD1-N 2.77Å; D140-H143 IonicContact OD1-ND1 2.72Å; D140-H143 IonicContact OD2-CE1 3.3Å; D140-H143 IonicContact OD2-CG 3.15Å; D140-H143 IonicContact OD2-ND1 3.4Å; D140-H143 PolarHBondContact OD2-ND1 3.25Å
144	W	97	Very high	94.3	Very high	64 Å²	64	73.2 Å²	73.2	24%	0.242	37%	0.366	C	S	.	.			trans	-110	137.2	-176.4	-66.1	84	0	0	0	110.9	Q106 Y137 A141 F179 K181	Q106-W144 HydrophobicContact CG-CH2 4.19Å; Y137-W144 WeakPolarHBondContact O-CA 3.36Å; A141-W144 HydrophobicContact CB-CZ2 4.17Å; A141-W144 PolarHBondContact O-NE1 2.04Å; W144-F179 HydrophobicContact CH2-CB 3.63Å; W144-F179 HydrophobicContact CZ2-CB 4.37Å; W144-F179 HydrophobicContact CZ3-CB 4.14Å; W144-K181 HydrophobicContact CD2-CD 4.16Å; W144-K181 HydrophobicContact CE3-CB 4.4Å; W144-K181 HydrophobicContact CE3-CD 3.86Å; W144-K181 HydrophobicContact CE3-CG 4.23Å; W144-K181 HydrophobicContact CH2-CB 4.42Å; W144-K181 HydrophobicContact CH2-CD 3.51Å; W144-K181 HydrophobicContact CH2-CG 3.55Å; W144-K181 HydrophobicContact CZ2-CD 3.83Å; W144-K181 HydrophobicContact CZ2-CG 4.36Å; W144-K181 VanDerWaalsContact CZ2-NZ 3.3Å; W144-K181 HydrophobicContact CZ3-CB 3.86Å; W144-K181 HydrophobicContact CZ3-CD 3.53Å; W144-K181 HydrophobicContact CZ3-CG 3.48Å; W144-K181 VanDerWaalsContact CZ3-CG 3.48Å
145	K	97.2	Very high	94.2	Very high	137 Å²	137	75 Å²	75	60%	0.596	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	145.2	172	-64.5	179.7	-177.6	178.7	0	109.3	S136 Y137	S136-K145 CarbonylContact C-O 3.5Å; S136-K145 WeakPolarHBondContact CA-O 3.49Å; S136-K145 VanDerWaalsContact CB-O 3.26Å; S136-K145 WeakPolarHBondContact CB-O 3.42Å; Y137-K145 HydrophobicContact CD1-CB 4.44Å; Y137-K145 WeakPolarHBondContact CD1-O 3.31Å; Y137-K145 HydrophobicContact CD2-CB 4.5Å; Y137-K145 HydrophobicContact CE1-CB 3.9Å; Y137-K145 HydrophobicContact CE2-CB 3.96Å; Y137-K145 HydrophobicContact CE2-CD 4.16Å; Y137-K145 PolarHBondContact N-O 3.06Å; Y137-K145 PolarHBondContact O-N 2.98Å
146	F	97.1	Very high	94.2	Very high	65 Å²	65	78.8 Å²	78.8	29%	0.285	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	148	172.2	-77.7	-89.1	0	0	0	110.3	M134 V135 Q154 H183	M134-F146 HydrophobicContact CB-CD1 4.44Å; M134-F146 HydrophobicContact CB-CE1 4.43Å; V135-F146 WeakPolarHBondContact O-CA 3.31Å; F146-Q154 HydrophobicContact CB-CG 3.92Å; F146-Q154 HydrophobicContact CD2-CG 4.46Å; F146-Q154 HydrophobicContact CG-CG 4.07Å; F146-H183 AromaticContact CE1-CD2 3.88Å; F146-H183 AromaticContact CE1-NE2 3.97Å
147	V	97	Very high	94.1	Very high	10 Å²	10	79.1 Å²	79.1	6%	0.061	39%	0.393	C	S	.	.			trans	-66.8	131.6	165.2	-177.6	0	0	0	0	107.7	V135 Y137 K155 F157 F171 I175	V135-V147 HydrophobicContact CB-CB 4.45Å; V135-V147 HydrophobicContact CB-CG2 3.85Å; V135-V147 HydrophobicContact CG1-CG2 3.9Å; V135-V147 PolarHBondContact O-N 2.72Å; Y137-V147 HydrophobicContact CD1-CG2 3.98Å; Y137-V147 HydrophobicContact CE1-CG2 4.16Å; V147-K155 WeakPolarHBondContact O-CB 3.45Å; V147-K155 PolarHBondContact O-N 2.73Å; V147-F157 HydrophobicContact CB-CE2 4.29Å; V147-F157 HydrophobicContact CB-CZ 4.34Å; V147-F157 HydrophobicContact CG1-CE2 4.31Å; V147-F157 HydrophobicContact CG1-CZ 3.87Å; V147-F171 HydrophobicContact CG1-CD1 4.27Å; V147-F171 HydrophobicContact CG1-CG 4.39Å; V147-F171 HydrophobicContact CG2-CZ 4.45Å; V147-I175 HydrophobicContact CG2-CD1 4.02Å; V147-I175 HydrophobicContact CG2-CG2 4.17Å
148	T	95	Very high	94.1	Very high	66 Å²	66	82.8 Å²	82.8	41%	0.405	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-108.5	156.7	-176.5	52.5	0	0	0	0	111.9	N153	T148-N153 CarbonylContact C-O 2.74Å; T148-N153 WeakPolarHBondContact CA-O 3.28Å; T148-N153 WeakPolarHBondContact CB-O 3.17Å
149	D	90.4	Very high	94.1	Very high	38 Å²	38	82.6 Å²	82.6	20%	0.203	41%	0.411	C	S	.	.			trans	-79.7	179	166.3	67.8	10.7	0	0	0	111.6	Y151 A152 N153 K155	D149-Y151 PolarHBondContact O-N 3.31Å; D149-Y151 VanDerWaalsContact OD1-C 3.25Å; D149-Y151 VanDerWaalsContact OD1-CA 3.29Å; D149-Y151 WeakPolarHBondContact OD1-CA 3.43Å; D149-Y151 WeakPolarHBondContact OD1-CB 3.41Å; D149-Y151 PolarHBondContact OD1-N 2.94Å; D149-A152 PolarHBondContact O-N 3.32Å; D149-A152 PolarHBondContact OD1-N 2.91Å; D149-A152 VanDerWaalsContact OD1-N 3.13Å; D149-N153 PolarHBondContact N-O 2.84Å; D149-N153 PolarHBondContact OD1-N 2.99Å; D149-K155 HydrophobicContact CB-CD 3.74Å
150	Q	88.7	Confident	94.3	Very high	151 Å²	151	78.8 Å²	78.8	71%	0.706	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-11.4	174.9	68.1	-171.5	12	0	0	114.8
151	Y	90	Very high	94.6	Very high	163 Å²	163	79.7 Å²	79.7	64%	0.639	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	13.8	177.9	-53.8	-68.2	0	0	0	112.5	D149 N153	D149-Y151 PolarHBondContact O-N 3.31Å; D149-Y151 VanDerWaalsContact OD1-C 3.25Å; D149-Y151 VanDerWaalsContact OD1-CA 3.29Å; D149-Y151 WeakPolarHBondContact OD1-CA 3.43Å; D149-Y151 WeakPolarHBondContact OD1-CB 3.41Å; D149-Y151 PolarHBondContact OD1-N 2.94Å; Y151-N153 PolarHBondContact O-N 3.32Å
152	A	88.9	Confident	94.8	Very high	78 Å²	78	79.2 Å²	79.2	65%	0.645	40%	0.395	S	S	*	.	S	Bend	trans	62.5	16.3	-178	0	0	0	0	0	115.3	D149	D149-A152 PolarHBondContact O-N 3.32Å; D149-A152 PolarHBondContact OD1-N 2.91Å; D149-A152 VanDerWaalsContact OD1-N 3.13Å
153	N	92.9	Very high	94.9	Very high	97 Å²	97	72.9 Å²	72.9	52%	0.519	37%	0.365	S	S	.	.	S	Bend	trans	-87.7	156.4	172.7	-61.6	-59.6	0	0	0	110.6	T148 D149 Y151 K155	T148-N153 CarbonylContact C-O 2.74Å; T148-N153 WeakPolarHBondContact CA-O 3.28Å; T148-N153 WeakPolarHBondContact CB-O 3.17Å; D149-N153 PolarHBondContact N-O 2.84Å; D149-N153 PolarHBondContact OD1-N 2.99Å; Y151-N153 PolarHBondContact O-N 3.32Å; N153-K155 PolarHBondContact O-N 2.82Å; N153-K155 VanDerWaalsContact O-N 3.15Å
154	Q	94.5	Very high	94.8	Very high	109 Å²	109	74.4 Å²	74.4	51%	0.509	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-58.4	120.2	175.5	-64	-179.2	-4.8	0	0	110.4	M134 F146 I156	M134-Q154 HydrophobicContact SD-CB 4.35Å; F146-Q154 HydrophobicContact CB-CG 3.92Å; F146-Q154 HydrophobicContact CD2-CG 4.46Å; F146-Q154 HydrophobicContact CG-CG 4.07Å; Q154-I156 PolarHBondContact O-N 3.32Å
155	K	95.8	Very high	94.7	Very high	64 Å²	64	73.2 Å²	73.2	28%	0.278	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-74.7	121.6	-177.9	-174.7	74.7	177.5	-154.3	0	110.1	V147 D149 N153 F157 D172	V147-K155 WeakPolarHBondContact O-CB 3.45Å; V147-K155 PolarHBondContact O-N 2.73Å; D149-K155 HydrophobicContact CB-CD 3.74Å; N153-K155 PolarHBondContact O-N 2.82Å; N153-K155 VanDerWaalsContact O-N 3.15Å; K155-F157 HydrophobicContact CB-CE2 3.95Å; K155-F157 HydrophobicContact CB-CZ 4.05Å; K155-F157 HydrophobicContact CG-CD1 4.22Å; K155-F157 HydrophobicContact CG-CD2 4.18Å; K155-F157 HydrophobicContact CG-CE1 3.81Å; K155-F157 HydrophobicContact CG-CE2 3.75Å; K155-F157 HydrophobicContact CG-CG 4.4Å; K155-F157 HydrophobicContact CG-CZ 3.55Å; K155-D172 IonicContact NZ-OD2 3.47Å
156	I	96.4	Very high	94.7	Very high	80 Å²	80	68.4 Å²	68.4	41%	0.41	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	119.1	166.2	-58.2	173.7	0	0	0	107.7	M134 Q154 Y185	M134-I156 HydrophobicContact CG-CG1 4.02Å; M134-I156 HydrophobicContact SD-CG1 4.25Å; Q154-I156 PolarHBondContact O-N 3.32Å; I156-Y185 HydrophobicContact CD1-CD1 4.26Å; I156-Y185 HydrophobicContact CD1-CE1 3.84Å; I156-Y185 HydrophobicContact CG2-CD1 4.21Å
157	F	97.5	Very high	94.7	Very high	8 Å²	8	67.9 Å²	67.9	4%	0.035	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	143.3	176.9	-65.1	-84.6	0	0	0	110.8	S132 F133 V135 V147 K155 N169 F171	S132-F157 WeakPolarHBondContact CA-O 3.29Å; S132-F157 WeakPolarHBondContact CB-O 3.12Å; F133-F157 HydrophobicContact CD1-CB 4.21Å; F133-F157 HydrophobicContact CD2-CB 4.06Å; F133-F157 HydrophobicContact CD2-CD2 4.26Å; F133-F157 HydrophobicContact CE1-CB 3.79Å; F133-F157 HydrophobicContact CE2-CB 3.64Å; F133-F157 AromaticContact CE2-CD2 3.92Å; F133-F157 HydrophobicContact CE2-CD2 3.92Å; F133-F157 AromaticContact CE2-CG 3.92Å; F133-F157 HydrophobicContact CE2-CG 3.92Å; F133-F157 HydrophobicContact CG-CB 4.33Å; F133-F157 HydrophobicContact CZ-CB 3.48Å; F133-F157 VanDerWaalsContact CZ-CB 3.48Å; F133-F157 HydrophobicContact CZ-CG 4.1Å; F133-F157 PolarHBondContact N-O 2.97Å; F133-F157 VanDerWaalsContact N-O 3.09Å; F133-F157 PolarHBondContact O-N 2.86Å; V135-F157 HydrophobicContact CB-CE2 4.19Å; V135-F157 HydrophobicContact CG2-CD2 4.03Å; V135-F157 HydrophobicContact CG2-CE2 3.91Å; V147-F157 HydrophobicContact CB-CE2 4.29Å; V147-F157 HydrophobicContact CB-CZ 4.34Å; V147-F157 HydrophobicContact CG1-CE2 4.31Å; V147-F157 HydrophobicContact CG1-CZ 3.87Å; K155-F157 HydrophobicContact CB-CE2 3.95Å; K155-F157 HydrophobicContact CB-CZ 4.05Å; K155-F157 HydrophobicContact CG-CD1 4.22Å; K155-F157 HydrophobicContact CG-CD2 4.18Å; K155-F157 HydrophobicContact CG-CE1 3.81Å; K155-F157 HydrophobicContact CG-CE2 3.75Å; K155-F157 HydrophobicContact CG-CG 4.4Å; K155-F157 HydrophobicContact CG-CZ 3.55Å; F157-N169 HydrophobicContact CD1-CB 3.86Å; F157-F171 AromaticContact CE1-CD1 3.67Å; F157-F171 HydrophobicContact CE1-CD1 3.67Å; F157-F171 AromaticContact CE1-CE1 3.88Å; F157-F171 HydrophobicContact CE1-CE1 3.88Å; F157-F171 HydrophobicContact CE2-CD1 4.43Å; F157-F171 HydrophobicContact CE2-CE1 4.08Å; F157-F171 AromaticContact CZ-CD1 3.44Å; F157-F171 HydrophobicContact CZ-CD1 3.44Å; F157-F171 VanDerWaalsContact CZ-CD1 3.44Å; F157-F171 AromaticContact CZ-CE1 3.49Å; F157-F171 HydrophobicContact CZ-CE1 3.49Å; F157-F171 VanDerWaalsContact CZ-CE1 3.49Å
158	E	97.6	Very high	94.7	Very high	125 Å²	125	71.6 Å²	71.6	58%	0.584	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	126.6	172.4	-165.9	-161.5	146	0	0	109.4	K167 N169	E158-K167 WeakPolarHBondContact O-CG 3.26Å; E158-K167 IonicContact OE1-NZ 2.86Å; E158-K167 PolarHBondContact OE1-NZ 2.84Å; E158-K167 IonicContact OE2-NZ 2.79Å; E158-K167 PolarHBondContact OE2-NZ 2.83Å; E158-N169 PolarHBondContact O-ND2 3.32Å; E158-N169 PolarHBondContact O-OD1 3Å
159	G	97	Very high	94.8	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.01	35%	0.35	C	S	.	.			trans	-90.4	-148.3	179.9	0	0	0	0	0	113.2	T131 K167	T131-G159 WeakPolarHBondContact O-CA 3.48Å; T131-G159 PolarHBondContact O-N 3.48Å; G159-K167 WeakPolarHBondContact O-CD 3.43Å; G159-K167 VanDerWaalsContact O-CG 3.3Å; G159-K167 WeakPolarHBondContact O-CG 3.3Å
160	N	98.1	Very high	95	Very high	5 Å²	5	74 Å²	74	3%	0.027	37%	0.365	C	S	.	.			trans	-84.5	151.4	-177.6	-64.8	89.4	0	0	0	112	T120 Q121 W129 V130 D162 S165	T120-N160 WeakPolarHBondContact CB-OD1 3.23Å; T120-N160 PolarHBondContact O-ND2 3.09Å; T120-N160 PolarHBondContact O-OD1 2.92Å; T120-N160 PolarHBondContact OG1-OD1 2.81Å; Q121-N160 WeakPolarHBondContact CA-ND2 2.97Å; W129-N160 HydrophobicContact CB-CB 4.06Å; W129-N160 HydrophobicContact CG-CB 4.22Å; W129-N160 PolarHBondContact NE1-O 2.82Å; V130-N160 PolarHBondContact O-N 2.96Å; N160-D162 WeakPolarHBondContact CB-O 3.49Å; N160-S165 PolarHBondContact ND2-O 2.83Å
161	S	97	Very high	95.2	Very high	91 Å²	91	67.5 Å²	67.5	64%	0.636	34%	0.335	S	S	*	.	S	Bend	trans	-96.5	-15	170.6	50.8	0	0	0	0	113.3	W129	W129-S161 VanDerWaalsContact CZ2-O 3.23Å; W129-S161 WeakPolarHBondContact CZ2-O 3.33Å; W129-S161 PolarHBondContact NE1-O 3.08Å
162	D	96.1	Very high	95.2	Very high	27 Å²	27	65 Å²	65	14%	0.144	33%	0.333	C	S	.	.	S	Bend	trans	-154.6	-178.3	-177.8	65.3	62.4	0	0	0	111.4	W129 N160 Y164 S165	W129-D162 VanDerWaalsContact CE3-C 3.46Å; N160-D162 WeakPolarHBondContact CB-O 3.49Å; D162-Y164 HydrophobicContact CB-CD1 4.42Å; D162-Y164 HydrophobicContact CB-CE1 4.03Å; D162-Y164 PolarHBondContact OD1-N 3.33Å; D162-S165 WeakPolarHBondContact OD1-CB 3.27Å; D162-S165 PolarHBondContact OD1-N 2.82Å; D162-S165 PolarHBondContact OD1-OG 3.45Å; D162-S165 WeakPolarHBondContact OD2-CB 3.4Å; D162-S165 PolarHBondContact OD2-OG 2.85Å
163	S	94.2	Very high	95.2	Very high	14 Å²	14	68.6 Å²	68.6	10%	0.098	34%	0.336	C	S	.	.	S	Bend	trans	-74.8	-21.1	-176.4	-60	0	0	0	0	116.2	G122 R123 G126 S127 W129 R194	G122-S163 CarbonylContact C-O 3.57Å; R123-S163 VanDerWaalsContact O-CB 3.26Å; R123-S163 WeakPolarHBondContact O-CB 3.41Å; G126-S163 WeakPolarHBondContact O-CB 3.39Å; G126-S163 PolarHBondContact O-OG 2.84Å; S127-S163 WeakPolarHBondContact CA-OG 3.04Å; W129-S163 WeakPolarHBondContact CZ3-OG 3.43Å; S163-R194 PolarHBondContact O-NH2 2.95Å
164	Y	92	Very high	95.2	Very high	170 Å²	170	66 Å²	66	67%	0.667	33%	0.325	S	S	*	.	S	Bend	trans	-125.8	-31.1	-161.3	53.4	-93.4	0	0	0	114.4	Q121 D162	Q121-Y164 PolarHBondContact NE2-O 3.1Å; D162-Y164 HydrophobicContact CB-CD1 4.42Å; D162-Y164 HydrophobicContact CB-CE1 4.03Å; D162-Y164 PolarHBondContact OD1-N 3.33Å
165	S	95.3	Very high	95.2	Very high	39 Å²	39	61.4 Å²	61.4	27%	0.273	30%	0.303	S	S	.	.	S	Bend	trans	-67.9	141.2	176.5	65.3	0	0	0	0	110.8	Q121 N160 D162	Q121-S165 WeakPolarHBondContact CG-O 3.32Å; N160-S165 PolarHBondContact ND2-O 2.83Å; D162-S165 WeakPolarHBondContact OD1-CB 3.27Å; D162-S165 PolarHBondContact OD1-N 2.82Å; D162-S165 PolarHBondContact OD1-OG 3.45Å; D162-S165 WeakPolarHBondContact OD2-CB 3.4Å; D162-S165 PolarHBondContact OD2-OG 2.85Å
166	V	97.2	Very high	95.1	Very high	35 Å²	35	63.2 Å²	63.2	21%	0.212	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-88.6	124.8	175.6	-176.3	0	0	0	0	109	L86 F87 M119 T120 Q121 H168	L86-V166 HydrophobicContact CD1-CG1 4.39Å; L86-V166 HydrophobicContact CD2-CG1 3.99Å; L86-V166 HydrophobicContact CD2-CG2 4.3Å; F87-V166 HydrophobicContact CE1-CG2 3.6Å; F87-V166 HydrophobicContact CE2-CG2 4.25Å; F87-V166 HydrophobicContact CZ-CG2 3.42Å; F87-V166 VanDerWaalsContact CZ-CG2 3.42Å; M119-V166 HydrophobicContact CB-CG1 3.94Å; M119-V166 HydrophobicContact CG-CG1 4.5Å; T120-V166 WeakPolarHBondContact O-CA 3.44Å; Q121-V166 HydrophobicContact CG-CB 4.32Å; Q121-V166 HydrophobicContact CG-CG2 3.74Å; V166-H168 VanDerWaalsContact CG1-CE1 3.46Å; V166-H168 WeakPolarHBondContact CG1-CE1 3.45Å
167	K	97.7	Very high	95.1	Very high	55 Å²	55	59.4 Å²	59.4	24%	0.239	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.8	167.5	-173.5	75.5	176	-167.2	0	109.2	M119 T120 E158 G159	M119-K167 CarbonylContact C-O 3.53Å; M119-K167 VanDerWaalsContact CA-O 3.3Å; M119-K167 WeakPolarHBondContact CA-O 3.37Å; T120-K167 PolarHBondContact N-O 3.37Å; T120-K167 PolarHBondContact O-N 2.64Å; E158-K167 WeakPolarHBondContact O-CG 3.26Å; E158-K167 IonicContact OE1-NZ 2.86Å; E158-K167 PolarHBondContact OE1-NZ 2.84Å; E158-K167 IonicContact OE2-NZ 2.79Å; E158-K167 PolarHBondContact OE2-NZ 2.83Å; G159-K167 WeakPolarHBondContact O-CD 3.43Å; G159-K167 VanDerWaalsContact O-CG 3.3Å; G159-K167 WeakPolarHBondContact O-CG 3.3Å
168	H	96.9	Very high	95	Very high	87 Å²	87	61 Å²	61	40%	0.403	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130	175	-62	67.9	0	0	0	108.7	M119 V166 Y170	M119-H168 VanDerWaalsContact CE-CD2 3.47Å; M119-H168 WeakPolarHBondContact CE-CD2 3.49Å; V166-H168 VanDerWaalsContact CG1-CE1 3.46Å; V166-H168 WeakPolarHBondContact CG1-CE1 3.45Å; H168-Y170 HydrophobicContact CB-CE2 4.26Å
169	N	96.5	Very high	95.1	Very high	20 Å²	20	56.1 Å²	56.1	11%	0.107	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	113.3	174	-75.2	-76.7	0	0	0	108.9	G117 I118 F133 F157 E158	G117-N169 CarbonylContact C-O 3.46Å; G117-N169 WeakPolarHBondContact CA-O 3.4Å; I118-N169 HydrophobicContact CG2-CB 3.95Å; I118-N169 PolarHBondContact N-O 2.03Å; I118-N169 PolarHBondContact O-N 3.42Å; F133-N169 HydrophobicContact CZ-CB 4.43Å; F157-N169 HydrophobicContact CD1-CB 3.86Å; E158-N169 PolarHBondContact O-ND2 3.32Å; E158-N169 PolarHBondContact O-OD1 3Å
170	Y	94.3	Very high	95.1	Very high	134 Å²	134	56 Å²	56	53%	0.525	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	148	172.7	-61	-76.2	0	0	0	109.9	T116 H168	T116-Y170 WeakPolarHBondContact O-CA 3.45Å; H168-Y170 HydrophobicContact CB-CE2 4.26Å
171	F	93.4	Very high	95.1	Very high	15 Å²	15	57.1 Å²	57.1	7%	0.066	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	138.4	175.8	-55.8	-28.5	0	0	0	109.5	V115 T116 I118 V135 V147 F157 E173 I175	V115-F171 HydrophobicContact CB-CE2 4.44Å; V115-F171 HydrophobicContact CG1-CE2 3.9Å; T116-F171 PolarHBondContact O-N 3.25Å; I118-F171 HydrophobicContact CG2-CE1 4.29Å; I118-F171 HydrophobicContact CG2-CZ 4.49Å; V135-F171 HydrophobicContact CB-CZ 4.43Å; V135-F171 HydrophobicContact CG1-CZ 4.11Å; V135-F171 HydrophobicContact CG2-CE1 4.3Å; V135-F171 HydrophobicContact CG2-CZ 4.26Å; V147-F171 HydrophobicContact CG1-CD1 4.27Å; V147-F171 HydrophobicContact CG1-CG 4.39Å; V147-F171 HydrophobicContact CG2-CZ 4.45Å; F157-F171 AromaticContact CE1-CD1 3.67Å; F157-F171 HydrophobicContact CE1-CD1 3.67Å; F157-F171 AromaticContact CE1-CE1 3.88Å; F157-F171 HydrophobicContact CE1-CE1 3.88Å; F157-F171 HydrophobicContact CE2-CD1 4.43Å; F157-F171 HydrophobicContact CE2-CE1 4.08Å; F157-F171 AromaticContact CZ-CD1 3.44Å; F157-F171 HydrophobicContact CZ-CD1 3.44Å; F157-F171 VanDerWaalsContact CZ-CD1 3.44Å; F157-F171 AromaticContact CZ-CE1 3.49Å; F157-F171 HydrophobicContact CZ-CE1 3.49Å; F157-F171 VanDerWaalsContact CZ-CE1 3.49Å; F171-E173 WeakPolarHBondContact CB-O 3.44Å; F171-E173 PolarHBondContact O-N 2.82Å; F171-I175 HydrophobicContact CD2-CD1 4.1Å; F171-I175 HydrophobicContact CD2-CG1 4.05Å; F171-I175 HydrophobicContact CD2-CG2 4.45Å; F171-I175 HydrophobicContact CE2-CD1 3.59Å; F171-I175 HydrophobicContact CE2-CG1 3.94Å; F171-I175 HydrophobicContact CZ-CD1 4.45Å
172	D	89.3	Confident	95.2	Very high	112 Å²	112	52.8 Å²	52.8	60%	0.599	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	-37.1	176.2	-60	-37.7	0	0	0	110.3	K155	K155-D172 IonicContact NZ-OD2 3.47Å
173	E	89.9	Confident	95.3	Very high	153 Å²	153	52.8 Å²	52.8	72%	0.715	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.6	171.1	-66.5	-173.8	175.4	0	0	111	F171	F171-E173 WeakPolarHBondContact CB-O 3.44Å; F171-E173 PolarHBondContact O-N 2.82Å
174	P	92.3	Very high	95.4	Very high	43 Å²	43	52.1 Å²	52.1	28%	0.279	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	136	173.5	-25.5	35.6	0	0	0	112.5	L43 L114 T116	L43-P174 HydrophobicContact CD2-CB 4.18Å; L43-P174 HydrophobicContact CD2-CG 4.21Å; L114-P174 HydrophobicContact CD1-CB 3.76Å; L114-P174 HydrophobicContact CD2-CB 4.07Å; L114-P174 HydrophobicContact CG-CB 3.84Å; T116-P174 HydrophobicContact CG2-CB 4.06Å; T116-P174 HydrophobicContact CG2-CG 4.16Å
175	I	94.8	Very high	95.6	Very high	12 Å²	12	48.9 Å²	48.9	6%	0.062	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136.6	179.9	63.4	178	0	0	0	111.3	L114 V115 Y137 V147 F171	L114-I175 CarbonylContact C-O 3.4Å; L114-I175 WeakPolarHBondContact CA-O 3.48Å; V115-I175 HydrophobicContact CB-CD1 4.27Å; V115-I175 HydrophobicContact CB-CG1 3.75Å; V115-I175 HydrophobicContact CG2-CG1 4.43Å; V115-I175 PolarHBondContact N-O 2.82Å; V115-I175 PolarHBondContact O-N 3Å; Y137-I175 HydrophobicContact CD1-CB 4.34Å; Y137-I175 HydrophobicContact CD1-CD1 3.79Å; Y137-I175 HydrophobicContact CD1-CG2 4.17Å; Y137-I175 HydrophobicContact CD2-CB 4.46Å; Y137-I175 HydrophobicContact CE1-CB 4.34Å; Y137-I175 HydrophobicContact CE1-CG2 3.86Å; Y137-I175 HydrophobicContact CE2-CB 4.46Å; Y137-I175 HydrophobicContact CG-CB 4.4Å; Y137-I175 HydrophobicContact CG-CD1 3.87Å; V147-I175 HydrophobicContact CG2-CD1 4.02Å; V147-I175 HydrophobicContact CG2-CG2 4.17Å; F171-I175 HydrophobicContact CD2-CD1 4.1Å; F171-I175 HydrophobicContact CD2-CG1 4.05Å; F171-I175 HydrophobicContact CD2-CG2 4.45Å; F171-I175 HydrophobicContact CE2-CD1 3.59Å; F171-I175 HydrophobicContact CE2-CG1 3.94Å; F171-I175 HydrophobicContact CZ-CD1 4.45Å
176	R	94.8	Very high	95.7	Very high	101 Å²	101	50 Å²	50	38%	0.381	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118.2	168.5	-69.9	-177	-175.6	-104.5	-2.6	109.2	E46 Q112 A113 L114	E46-R176 IonicContact OE2-CZ 3.26Å; E46-R176 IonicContact OE2-NH1 3.79Å; E46-R176 PolarHBondContact OE2-NH1 3.36Å; E46-R176 VanDerWaalsContact OE2-NH1 3.15Å; E46-R176 IonicContact OE2-NH2 3.73Å; E46-R176 PolarHBondContact OE2-NH2 2.77Å; Q112-R176 HydrophobicContact CG-CB 4.47Å; A113-R176 WeakPolarHBondContact O-CA 3.45Å; L114-R176 HydrophobicContact CD1-CG 3.52Å
177	A	95.7	Very high	95.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	151.9	-177.2	0	0	0	0	0	112.6	A113 Y137 D139 V180	A113-A177 PolarHBondContact N-O 2.93Å; A113-A177 PolarHBondContact O-N 2.91Å; Y137-A177 HydrophobicContact CD2-CB 4.03Å; Y137-A177 HydrophobicContact CG-CB 4.27Å; D139-A177 WeakPolarHBondContact OD1-CA 3.44Å; A177-V180 HydrophobicContact CB-CG2 4.42Å
178	R	95.8	Very high	95.7	Very high	43 Å²	43	52.4 Å²	52.4	16%	0.162	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-40	164.4	174.9	177.3	166.6	175.7	-1.9	111.8	D108 L109 G110 S138 D139	D108-R178 VanDerWaalsContact OD1-CG 3.32Å; D108-R178 WeakPolarHBondContact OD1-CG 3.32Å; D108-R178 IonicContact OD1-CZ 3.01Å; D108-R178 IonicContact OD1-NE 3.17Å; D108-R178 PolarHBondContact OD1-NE 2.99Å; D108-R178 IonicContact OD1-NH2 3.74Å; D108-R178 IonicContact OD2-CZ 3.01Å; D108-R178 IonicContact OD2-NE 3.07Å; D108-R178 IonicContact OD2-NH2 2.69Å; D108-R178 PolarHBondContact OD2-NH2 2.75Å; L109-R178 VanDerWaalsContact CB-O 3.27Å; L109-R178 WeakPolarHBondContact CB-O 3.27Å; L109-R178 WeakPolarHBondContact CG-O 3.49Å; L109-R178 PolarHBondContact N-O 3Å; G110-R178 WeakPolarHBondContact O-CD 3.38Å; G110-R178 VanDerWaalsContact O-CZ 3.28Å; G110-R178 PolarHBondContact O-NE 2.92Å; G110-R178 VanDerWaalsContact O-NE 3.13Å; S138-R178 PolarHBondContact O-N 2.94Å; S138-R178 VanDerWaalsContact O-N 3.1Å; D139-R178 PolarHBondContact OD1-N 2.83Å
179	F	98	Very high	95.6	Very high	21 Å²	21	52.5 Å²	52.5	9%	0.092	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.2	-177.2	-55.8	-87.3	0	0	0	109.8	I107 D108 Y137 S138 D139 A141 W144	I107-F179 WeakPolarHBondContact O-CA 3.5Å; D108-F179 HydrophobicContact CB-CD1 3.76Å; D108-F179 HydrophobicContact CB-CE1 3.71Å; D108-F179 WeakPolarHBondContact OD1-CE1 3.26Å; D108-F179 WeakPolarHBondContact OD2-CE1 3.26Å; Y137-F179 CarbonylContact C-O 3.6Å; Y137-F179 VanDerWaalsContact CA-O 3.27Å; Y137-F179 WeakPolarHBondContact CA-O 3.27Å; S138-F179 PolarHBondContact N-O 3.26Å; S138-F179 PolarHBondContact O-N 2.9Å; D139-F179 WeakPolarHBondContact O-CE2 3.45Å; A141-F179 HydrophobicContact CB-CD1 4.13Å; A141-F179 HydrophobicContact CB-CD2 3.8Å; A141-F179 HydrophobicContact CB-CE1 4.08Å; A141-F179 HydrophobicContact CB-CE2 3.76Å; A141-F179 HydrophobicContact CB-CG 3.98Å; A141-F179 HydrophobicContact CB-CZ 3.91Å; W144-F179 HydrophobicContact CH2-CB 3.63Å; W144-F179 HydrophobicContact CZ2-CB 4.37Å; W144-F179 HydrophobicContact CZ3-CB 4.14Å
180	V	98.4	Very high	95.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.9	176.3	-178.4	0	0	0	0	108.7	Q106 I107 L109 V115 V135 A177 I182 L197	Q106-V180 CarbonylContact C-O 3.55Å; Q106-V180 VanDerWaalsContact CA-O 3.32Å; Q106-V180 WeakPolarHBondContact CA-O 3.16Å; I107-V180 PolarHBondContact N-O 3.21Å; I107-V180 PolarHBondContact O-N 2.8Å; L109-V180 HydrophobicContact CD1-CG2 4.32Å; V115-V180 HydrophobicContact CG2-CG2 4.24Å; V135-V180 HydrophobicContact CG1-CG1 3.78Å; A177-V180 HydrophobicContact CB-CG2 4.42Å; V180-I182 HydrophobicContact CG1-CD1 4.48Å; V180-L197 HydrophobicContact CB-CD1 4.01Å; V180-L197 HydrophobicContact CG1-CD1 4.32Å; V180-L197 HydrophobicContact CG1-CD2 4.07Å; V180-L197 HydrophobicContact CG2-CD1 4.08Å
181	K	98	Very high	95.6	Very high	28 Å²	28	45.8 Å²	45.8	12%	0.122	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.9	174.2	-84.8	177.2	-177.8	170.2	0	110.3	W104 L105 Q106 V135 S136 W144	W104-K181 HydrophobicContact CD2-CD 4.14Å; W104-K181 HydrophobicContact CD2-CG 4.45Å; W104-K181 HydrophobicContact CE3-CD 4.21Å; W104-K181 HydrophobicContact CE3-CG 4.14Å; W104-K181 HydrophobicContact CG-CD 4.39Å; L105-K181 CarbonylContact O-C 3.56Å; L105-K181 VanDerWaalsContact O-CA 3.3Å; L105-K181 WeakPolarHBondContact O-CA 3.07Å; Q106-K181 HydrophobicContact CB-CG 3.78Å; Q106-K181 HydrophobicContact CG-CG 3.98Å; V135-K181 WeakPolarHBondContact CA-O 3.09Å; S136-K181 PolarHBondContact N-O 2.93Å; S136-K181 PolarHBondContact O-N 3.21Å; W144-K181 HydrophobicContact CD2-CD 4.16Å; W144-K181 HydrophobicContact CE3-CB 4.4Å; W144-K181 HydrophobicContact CE3-CD 3.86Å; W144-K181 HydrophobicContact CE3-CG 4.23Å; W144-K181 HydrophobicContact CH2-CB 4.42Å; W144-K181 HydrophobicContact CH2-CD 3.51Å; W144-K181 HydrophobicContact CH2-CG 3.55Å; W144-K181 HydrophobicContact CZ2-CD 3.83Å; W144-K181 HydrophobicContact CZ2-CG 4.36Å; W144-K181 VanDerWaalsContact CZ2-NZ 3.3Å; W144-K181 HydrophobicContact CZ3-CB 3.86Å; W144-K181 HydrophobicContact CZ3-CD 3.53Å; W144-K181 HydrophobicContact CZ3-CG 3.48Å; W144-K181 VanDerWaalsContact CZ3-CG 3.48Å
182	I	98.3	Very high	95.7	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	111.8	171	-56	82.4	0	0	0	106.9	W104 L105 I107 I118 F133 V180 L193	W104-I182 CarbonylContact C-O 3.57Å; W104-I182 WeakPolarHBondContact CA-O 3.3Å; W104-I182 WeakPolarHBondContact CB-O 3.22Å; L105-I182 PolarHBondContact N-O 2.94Å; L105-I182 WeakPolarHBondContact O-CD1 3.47Å; L105-I182 PolarHBondContact O-N 2.75Å; I107-I182 HydrophobicContact CD1-CD1 4.06Å; I118-I182 HydrophobicContact CD1-CD1 4.12Å; I118-I182 HydrophobicContact CD1-CG1 3.43Å; I118-I182 VanDerWaalsContact CD1-CG1 3.43Å; F133-I182 HydrophobicContact CB-CG2 4.12Å; F133-I182 HydrophobicContact CD2-CG2 3.78Å; F133-I182 HydrophobicContact CE2-CG2 4.49Å; F133-I182 HydrophobicContact CG-CG2 4.08Å; V180-I182 HydrophobicContact CG1-CD1 4.48Å; I182-L193 HydrophobicContact CG2-CD1 3.85Å
183	H	97.7	Very high	96.1	Very high	26 Å²	26	39.7 Å²	39.7	12%	0.12	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.2	178.3	-59.8	-98.8	0	0	0	109.2	E103 F133 M134 S136 F146	E103-H183 WeakPolarHBondContact O-CA 3.45Å; F133-H183 CarbonylContact C-O 3.17Å; F133-H183 VanDerWaalsContact CA-O 3.22Å; F133-H183 WeakPolarHBondContact CA-O 3.43Å; F133-H183 VanDerWaalsContact CB-O 3.24Å; F133-H183 WeakPolarHBondContact CB-O 3.3Å; M134-H183 HydrophobicContact CB-CB 4.39Å; M134-H183 PolarHBondContact N-O 2.77Å; M134-H183 PolarHBondContact O-N 3.48Å; S136-H183 PolarHBondContact OG-NE2 2.94Å; F146-H183 AromaticContact CE1-CD2 3.88Å; F146-H183 AromaticContact CE1-NE2 3.97Å
184	T	97	Very high	96.4	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	134.2	178.8	60.3	0	0	0	0	109.9	W94 S100 S101 E103 V130 P191 L193	W94-T184 HydrophobicContact CH2-CG2 4.1Å; W94-T184 HydrophobicContact CZ3-CG2 3.92Å; S100-T184 PolarHBondContact O-OG1 3.15Å; S101-T184 CarbonylContact C-O 3.56Å; S101-T184 WeakPolarHBondContact CA-O 3.32Å; E103-T184 PolarHBondContact O-N 2.86Å; E103-T184 PolarHBondContact O-OG1 2.92Å; V130-T184 HydrophobicContact CG1-CG2 4.49Å; V130-T184 HydrophobicContact CG2-CG2 3.74Å; T184-P191 HydrophobicContact CG2-CB 4.04Å; T184-L193 HydrophobicContact CG2-CD1 4.21Å
185	Y	96.2	Very high	96.7	Very high	103 Å²	103	31 Å²	31	40%	0.404	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-54.7	179.5	-168.9	-110.4	0	0	0	111.7	S132 M134 I156 W187	S132-Y185 WeakPolarHBondContact O-CA 3.11Å; S132-Y185 WeakPolarHBondContact O-CB 3.5Å; S132-Y185 PolarHBondContact O-N 2.99Å; S132-Y185 WeakPolarHBondContact OG-CD1 3.15Å; M134-Y185 HydrophobicContact CE-CD2 3.85Å; M134-Y185 HydrophobicContact CE-CE2 4.37Å; I156-Y185 HydrophobicContact CD1-CD1 4.26Å; I156-Y185 HydrophobicContact CD1-CE1 3.84Å; I156-Y185 HydrophobicContact CG2-CD1 4.21Å; Y185-W187 WeakPolarHBondContact O-CZ3 3.15Å
186	T	97.8	Very high	96.8	Very high	62 Å²	62	30.4 Å²	30.4	38%	0.38	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.1	171.1	61.2	0	0	0	0	111.2	V130 T131 S132	V130-T186 WeakPolarHBondContact CG1-O 3.39Å; T131-T186 PolarHBondContact N-O 3.25Å; T131-T186 WeakPolarHBondContact OG1-CB 3.18Å; T131-T186 PolarHBondContact OG1-O 3.01Å; T131-T186 PolarHBondContact OG1-OG1 2.91Å; S132-T186 PolarHBondContact N-O 3.25Å; S132-T186 VanDerWaalsContact N-O 3.16Å; S132-T186 PolarHBondContact N-OG1 2.86Å; S132-T186 PolarHBondContact O-N 2.94Å; S132-T186 VanDerWaalsContact O-N 3.15Å; S132-T186 PolarHBondContact OG-N 3.4Å; S132-T186 PolarHBondContact OG-OG1 3.06Å
187	W	97.6	Very high	96.9	Very high	69 Å²	69	25.6 Å²	25.6	26%	0.261	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	161.1	-174.7	55.9	85.7	0	0	0	112.1	K99 S100 W129 V130 T131 Y185 P191	K99-W187 VanDerWaalsContact C-CH2 3.42Å; K99-W187 HydrophobicContact CB-CZ2 3.7Å; K99-W187 VanDerWaalsContact O-CZ2 3.29Å; K99-W187 WeakPolarHBondContact O-CZ2 3.27Å; S100-W187 VanDerWaalsContact C-CH2 3.45Å; W129-W187 CarbonylContact O-C 3.56Å; W129-W187 VanDerWaalsContact O-CA 3.31Å; W129-W187 WeakPolarHBondContact O-CA 3.46Å; W129-W187 VanDerWaalsContact O-CB 3.31Å; W129-W187 WeakPolarHBondContact O-CB 3.45Å; V130-W187 HydrophobicContact CG2-CB 4.47Å; T131-W187 PolarHBondContact OG1-N 2.69Å; Y185-W187 WeakPolarHBondContact O-CZ3 3.15Å; W187-P191 HydrophobicContact CB-CB 4.3Å; W187-P191 HydrophobicContact CD2-CB 4.08Å; W187-P191 HydrophobicContact CD2-CG 3.57Å; W187-P191 HydrophobicContact CE3-CB 4.18Å; W187-P191 HydrophobicContact CE3-CG 3.89Å; W187-P191 HydrophobicContact CG-CB 4.11Å; W187-P191 HydrophobicContact CG-CG 3.86Å; W187-P191 HydrophobicContact CZ2-CG 4.41Å; W187-P191 HydrophobicContact CZ3-CG 4.42Å
188	H	97.4	Very high	96.9	Very high	71 Å²	71	25.9 Å²	25.9	33%	0.329	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127	168.2	-178.8	-93.2	0	0	0	109.9	S127 W129 T131 H190	S127-H188 PolarHBondContact O-ND1 2.86Å; W129-H188 HydrophobicContact CD2-CB 3.88Å; W129-H188 AromaticContact CE2-CG 3.64Å; W129-H188 AromaticContact CE2-ND1 3.83Å; W129-H188 HydrophobicContact CG-CB 4.21Å; W129-H188 HydrophobicContact CH2-CB 4.42Å; W129-H188 AromaticContact CH2-CE1 3.54Å; W129-H188 AromaticContact CH2-CG 3.8Å; W129-H188 AromaticContact CH2-ND1 3.26Å; W129-H188 VanDerWaalsContact CH2-ND1 3.26Å; W129-H188 WeakPolarHBondContact CH2-ND1 3.35Å; W129-H188 HydrophobicContact CZ2-CB 3.68Å; W129-H188 AromaticContact CZ2-CD2 3.9Å; W129-H188 AromaticContact CZ2-CE1 3.86Å; W129-H188 AromaticContact CZ2-CG 3.37Å; W129-H188 AromaticContact CZ2-ND1 3.37Å; W129-H188 WeakPolarHBondContact CZ2-ND1 3.37Å; W129-H188 AromaticContact CZ3-ND1 3.65Å; W129-H188 PolarHBondContact N-O 3.29Å; W129-H188 PolarHBondContact O-N 3.01Å; T131-H188 HydrophobicContact CG2-CB 4.31Å; H188-H190 PolarHBondContact O-N 2.78Å
189	N	94.6	Very high	96.9	Very high	90 Å²	90	23.8 Å²	23.8	48%	0.481	11%	0.111	S	C	.	.	S	Bend	trans	59.2	-61.3	-174.5	-70.3	-28.3	0	0	0	115.6	K99 S127 E128	K99-N189 WeakPolarHBondContact CE-O 3.25Å; K99-N189 PolarHBondContact NZ-O 2.55Å; S127-N189 WeakPolarHBondContact O-CB 3.4Å; S127-N189 PolarHBondContact O-ND2 3.33Å; E128-N189 HydrophobicContact CG-CB 4.18Å
190	H	94.2	Very high	96.6	Very high	12 Å²	12	23.7 Å²	23.7	6%	0.056	11%	0.113	C	C	.	.	S	Bend	trans	-149.3	143.5	-178	-156.1	84.1	0	0	0	111.1	Y71 A96 K99 E128 H188 S192	Y71-H190 AromaticContact CD2-CE1 3.68Å; Y71-H190 AromaticContact CD2-NE2 3.65Å; Y71-H190 AromaticContact CE2-CE1 3.75Å; A96-H190 PolarHBondContact O-NE2 3.28Å; K99-H190 WeakPolarHBondContact CE-ND1 3.33Å; E128-H190 HydrophobicContact CB-CB 4.3Å; E128-H190 HydrophobicContact CG-CB 3.89Å; H188-H190 PolarHBondContact O-N 2.78Å; H190-S192 PolarHBondContact O-N 2.86Å
191	P	96.2	Very high	96.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.121	C	C	.	.			trans	-69	102.5	176.3	-0.1	9.7	0	0	0	110.5	C95 A96 V130 T184 W187	C95-P191 WeakPolarHBondContact CA-O 3.43Å; A96-P191 HydrophobicContact CB-CB 4.2Å; A96-P191 HydrophobicContact CB-CG 4.19Å; A96-P191 PolarHBondContact N-O 3.07Å; V130-P191 HydrophobicContact CG2-CB 4.23Å; T184-P191 HydrophobicContact CG2-CB 4.04Å; W187-P191 HydrophobicContact CB-CB 4.3Å; W187-P191 HydrophobicContact CD2-CB 4.08Å; W187-P191 HydrophobicContact CD2-CG 3.57Å; W187-P191 HydrophobicContact CE3-CB 4.18Å; W187-P191 HydrophobicContact CE3-CG 3.89Å; W187-P191 HydrophobicContact CG-CB 4.11Å; W187-P191 HydrophobicContact CG-CG 3.86Å; W187-P191 HydrophobicContact CZ2-CG 4.41Å; W187-P191 HydrophobicContact CZ3-CG 4.42Å
192	S	95.9	Very high	95.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134.6	-179.5	-60.4	0	0	0	0	110.6	W94 E128 V130 H190	W94-S192 CarbonylContact O-C 3.54Å; W94-S192 WeakPolarHBondContact O-CA 3.43Å; E128-S192 PolarHBondContact OE2-OG 3.43Å; E128-S192 VanDerWaalsContact OE2-OG 3.13Å; V130-S192 PolarHBondContact N-O 2.53Å; H190-S192 PolarHBondContact O-N 2.86Å
193	L	96.6	Very high	95.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141.1	-175.1	-76.1	170.9	0	0	0	113.2	W94 T120 V130 I182 T184 V195	W94-L193 HydrophobicContact CE3-CB 4.09Å; W94-L193 HydrophobicContact CE3-CD1 4.37Å; W94-L193 HydrophobicContact CZ3-CD1 4.04Å; W94-L193 PolarHBondContact N-O 2.82Å; W94-L193 PolarHBondContact O-N 3.1Å; T120-L193 HydrophobicContact CG2-CD2 4.37Å; V130-L193 HydrophobicContact CB-CD2 3.75Å; V130-L193 HydrophobicContact CB-CG 4.07Å; V130-L193 HydrophobicContact CG1-CD2 4.48Å; V130-L193 HydrophobicContact CG2-CD1 4.06Å; V130-L193 HydrophobicContact CG2-CD2 3.9Å; V130-L193 HydrophobicContact CG2-CG 3.63Å; I182-L193 HydrophobicContact CG2-CD1 3.85Å; T184-L193 HydrophobicContact CG2-CD1 4.21Å; L193-V195 HydrophobicContact CB-CG1 4.1Å; L193-V195 HydrophobicContact CD1-CG1 4.45Å; L193-V195 HydrophobicContact CD2-CG1 4.36Å
194	R	97.3	Very high	95	Very high	12 Å²	12	28.4 Å²	28.4	5%	0.045	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.5	154.6	-71.8	179.5	-69.6	173.6	0.3	107.5	R85 L92 A93 T120 Q121 G122 S163	R85-R194 WeakPolarHBondContact O-CB 3.26Å; R85-R194 VanDerWaalsContact O-CD 3.3Å; R85-R194 WeakPolarHBondContact O-CD 3.22Å; R85-R194 WeakPolarHBondContact O-CG 3.34Å; L92-R194 WeakPolarHBondContact O-CD 3.5Å; A93-R194 HydrophobicContact CB-CG 3.86Å; T120-R194 CarbonylContact C-O 3.54Å; T120-R194 WeakPolarHBondContact CA-O 3.33Å; Q121-R194 HydrophobicContact CB-CB 4.01Å; Q121-R194 PolarHBondContact N-O 2.68Å; Q121-R194 PolarHBondContact O-N 2.88Å; G122-R194 PolarHBondContact O-NE 2.89Å; G122-R194 PolarHBondContact O-NH2 2.92Å; S163-R194 PolarHBondContact O-NH2 2.95Å
195	V	97.9	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	156.4	-173	-58	0	0	0	0	112.5	M55 A84 L86 L105 I107 I118 M119 T120 L193	M55-V195 WeakPolarHBondContact CB-O 3.06Å; M55-V195 HydrophobicContact CE-CG2 3.96Å; A84-V195 PolarHBondContact O-N 3.11Å; L86-V195 PolarHBondContact N-O 3.32Å; L105-V195 HydrophobicContact CD2-CG2 3.83Å; I107-V195 HydrophobicContact CD1-CG2 3.72Å; I118-V195 HydrophobicContact CD1-CG1 4.48Å; M119-V195 CarbonylContact O-C 3.51Å; M119-V195 VanDerWaalsContact O-CA 3.27Å; M119-V195 WeakPolarHBondContact O-CA 3.16Å; T120-V195 HydrophobicContact CG2-CG1 4.19Å; L193-V195 HydrophobicContact CB-CG1 4.1Å; L193-V195 HydrophobicContact CD1-CG1 4.45Å; L193-V195 HydrophobicContact CD2-CG1 4.36Å
196	E	97.6	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.7	162.9	177.5	63.6	-91.5	0	0	108.6	P52 L53 G54 M55 I56 L86 I118 M119	P52-E196 HydrophobicContact CB-CG 3.84Å; L53-E196 PolarHBondContact N-OE1 3.15Å; G54-E196 PolarHBondContact N-OE1 2.98Å; G54-E196 VanDerWaalsContact N-OE1 3.08Å; M55-E196 HydrophobicContact CB-CB 4.43Å; M55-E196 PolarHBondContact N-OE1 3.13Å; M55-E196 PolarHBondContact N-OE2 2.79Å; I56-E196 WeakPolarHBondContact CB-OE2 3.42Å; I56-E196 HydrophobicContact CD1-CB 3.89Å; I56-E196 HydrophobicContact CD1-CG 3.75Å; I56-E196 HydrophobicContact CG1-CB 4.14Å; I56-E196 HydrophobicContact CG1-CG 4.18Å; I56-E196 WeakPolarHBondContact CG1-OE2 3.38Å; I56-E196 PolarHBondContact N-OE2 3.24Å; L86-E196 HydrophobicContact CB-CB 4.09Å; L86-E196 HydrophobicContact CD2-CB 4.16Å; I118-E196 WeakPolarHBondContact CA-O 3.5Å; M119-E196 HydrophobicContact CB-CB 4.35Å; M119-E196 PolarHBondContact N-O 2.82Å; M119-E196 PolarHBondContact O-N 3Å
197	L	97.6	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	140.6	174.4	-65	173	0	0	0	108.6	L53 I107 L109 V115 I118 V180	L53-L197 HydrophobicContact CB-CB 4.23Å; L53-L197 HydrophobicContact CD1-CB 3.9Å; L53-L197 HydrophobicContact CG-CB 4.37Å; L53-L197 PolarHBondContact N-O 2.92Å; I107-L197 HydrophobicContact CB-CD1 4.15Å; I107-L197 HydrophobicContact CD1-CD1 3.85Å; I107-L197 HydrophobicContact CD1-CG 4.09Å; I107-L197 HydrophobicContact CG2-CD1 4.02Å; L109-L197 HydrophobicContact CD2-CD1 3.93Å; V115-L197 HydrophobicContact CG1-CB 4.43Å; V115-L197 HydrophobicContact CG1-CD2 4.35Å; I118-L197 HydrophobicContact CB-CD2 4.23Å; I118-L197 HydrophobicContact CD1-CD2 3.97Å; I118-L197 HydrophobicContact CG1-CD2 4.01Å; V180-L197 HydrophobicContact CB-CD1 4.01Å; V180-L197 HydrophobicContact CG1-CD1 4.32Å; V180-L197 HydrophobicContact CG1-CD2 4.07Å; V180-L197 HydrophobicContact CG2-CD1 4.08Å
198	V	95.7	Very high	93.4	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.036	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.4	-177.1	-174.3	0	0	0	0	109	D50 V115 T116 G117 M119	D50-V198 HydrophobicContact CB-CG1 3.89Å; V115-V198 WeakPolarHBondContact CA-O 3.48Å; V115-V198 WeakPolarHBondContact CG1-O 3.47Å; T116-V198 PolarHBondContact N-O 2.75Å; T116-V198 PolarHBondContact OG1-O 2.9Å; G117-V198 PolarHBondContact N-O 2.82Å; G117-V198 PolarHBondContact O-N 2.84Å; M119-V198 HydrophobicContact CE-CG2 3.51Å; M119-V198 HydrophobicContact CG-CG2 3.93Å; M119-V198 HydrophobicContact SD-CG2 4.23Å
199	G	94.5	Very high	92.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.3	-133.7	174.2	0	0	0	0	0	109.9	D51 L114 T116	D51-G199 PolarHBondContact N-O 2.88Å; D51-G199 PolarHBondContact O-N 3.01Å; L114-G199 WeakPolarHBondContact O-CA 3.13Å; T116-G199 WeakPolarHBondContact OG1-CA 3.23Å
200	C	91.4	Very high	92.6	Very high	19 Å²	19	24.5 Å²	24.5	13%	0.128	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	139.9	-169.3	46.1	0	0	0	0	110.8	C47 L114	C47-C200 HydrophobicContact CB-CB 3.57Å; C47-C200 WeakPolarHBondContact CB-SG 2.99Å; C47-C200 WeakPolarHBondContact SG-CB 3.12Å; C47-C200 CovalentContact SG-SG 1.95Å; C47-C200 PolarHBondContact SG-SG 2.02Å; L114-C200 PolarHBondContact N-O 3.28Å; L114-C200 PolarHBondContact O-N 3.13Å
201	Q	90.3	Very high	92.1	Very high	40 Å²	40	29.2 Å²	29.2	19%	0.187	17%	0.165	C	C	.	.			trans	-130	102.9	-174	-167.7	171.1	35.3	0	0	111.1	L53 L109 V111 A113 K204	L53-Q201 HydrophobicContact CD2-CB 4.05Å; L109-Q201 PolarHBondContact O-NE2 2.97Å; V111-Q201 PolarHBondContact O-NE2 3.11Å; A113-Q201 HydrophobicContact CB-CB 3.88Å; A113-Q201 HydrophobicContact CB-CG 3.77Å; Q201-K204 VanDerWaalsContact CD-CD 3.42Å; Q201-K204 HydrophobicContact CG-CB 4.22Å; Q201-K204 HydrophobicContact CG-CD 4.35Å
202	S	85.6	Confident	91.5	Very high	52 Å²	52	39.1 Å²	39.1	36%	0.364	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	157.3	170.7	-68.4	0	0	0	0	111	K204	S202-K204 VanDerWaalsContact C-N 3.27Å; S202-K204 PolarHBondContact O-N 2.84Å; S202-K204 VanDerWaalsContact O-N 3.14Å
203	C	90.7	Very high	91.2	Very high	23 Å²	23	39.3 Å²	39.3	16%	0.155	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	18.1	167.1	-47.8	0	0	0	0	117.1	V111 T264 G350 C351	V111-C203 HydrophobicContact CG1-CB 4.33Å; C203-T264 HydrophobicContact CB-CG2 3.87Å; C203-T264 WeakPolarHBondContact O-CG2 3.2Å; C203-T264 PolarHBondContact O-OG1 3.43Å; C203-G350 CarbonylContact C-O 3.51Å; C203-G350 WeakPolarHBondContact O-CA 3.35Å; C203-C351 HydrophobicContact CB-CB 3.66Å; C203-C351 WeakPolarHBondContact CB-SG 3.39Å; C203-C351 WeakPolarHBondContact SG-CB 3.26Å; C203-C351 CovalentContact SG-SG 2.02Å; C203-C351 PolarHBondContact SG-SG 3.43Å
204	K	92	Very high	91	Very high	38 Å²	38	48.2 Å²	48.2	17%	0.165	24%	0.239	C	C	.	.			trans	-102.8	14.1	167.4	-164.3	176.1	170.3	-179.6	0	112.8	L109 V111 Q201 S202 Y321 L349	L109-K204 PolarHBondContact O-NZ 3.35Å; V111-K204 HydrophobicContact CB-CB 4.43Å; V111-K204 HydrophobicContact CG2-CB 4.19Å; V111-K204 HydrophobicContact CG2-CG 4.24Å; Q201-K204 VanDerWaalsContact CD-CD 3.42Å; Q201-K204 HydrophobicContact CG-CB 4.22Å; Q201-K204 HydrophobicContact CG-CD 4.35Å; S202-K204 VanDerWaalsContact C-N 3.27Å; S202-K204 PolarHBondContact O-N 2.84Å; S202-K204 VanDerWaalsContact O-N 3.14Å; K204-Y321 VanDerWaalsContact CE-OH 3.27Å; K204-Y321 WeakPolarHBondContact CE-OH 3.34Å; K204-Y321 HydrophobicContact CG-CE1 4.37Å; K204-L349 WeakPolarHBondContact O-CD2 3.04Å
205	Q	90.2	Very high	90.8	Very high	122 Å²	122	48.8 Å²	48.8	57%	0.57	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	145.8	-176.1	-64.3	162.5	6.6	0	0	110.7	I207 L349 G350	Q205-I207 PolarHBondContact O-N 2.71Å; Q205-L349 CarbonylContact O-C 3.6Å; Q205-L349 VanDerWaalsContact O-CA 3.31Å; Q205-L349 WeakPolarHBondContact O-CA 3.46Å; Q205-G350 PolarHBondContact O-N 3.01Å
206	I	91.6	Very high	90.6	Very high	64 Å²	64	50.7 Å²	50.7	33%	0.328	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	120.1	172	-52.3	177.9	0	0	0	108.7	I209 Y236 I267 L348 L349	I206-I209 HydrophobicContact CB-CD1 4.13Å; I206-I209 HydrophobicContact CG2-CD1 3.63Å; I206-I209 HydrophobicContact CG2-CG1 4.04Å; I206-Y236 HydrophobicContact CD1-CD1 3.8Å; I206-Y236 HydrophobicContact CD1-CE1 3.6Å; I206-I267 HydrophobicContact CD1-CD1 4.19Å; I206-I267 HydrophobicContact CG1-CD1 4.12Å; I206-L348 CarbonylContact C-O 3.54Å; I206-L348 WeakPolarHBondContact CA-O 3.42Å; I206-L349 HydrophobicContact CG1-CD2 3.87Å
207	I	91.3	Very high	90.5	Very high	26 Å²	26	51.9 Å²	51.9	13%	0.133	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	172.1	175	59.6	173.4	0	0	0	109.5	Q205 V257 I263 L348	Q205-I207 PolarHBondContact O-N 2.71Å; I207-V257 HydrophobicContact CB-CG1 4.29Å; I207-V257 HydrophobicContact CD1-CG1 4.22Å; I207-V257 HydrophobicContact CG1-CG1 4.41Å; I207-I263 HydrophobicContact CD1-CD1 3.47Å; I207-I263 VanDerWaalsContact CD1-CD1 3.47Å; I207-L348 HydrophobicContact CD1-CB 4.31Å; I207-L348 HydrophobicContact CG1-CB 3.75Å; I207-L348 WeakPolarHBondContact CG1-O 3.3Å; I207-L348 PolarHBondContact N-O 3.05Å; I207-L348 PolarHBondContact O-N 3.14Å
208	G	82.8	Confident	90.4	Very high	8 Å²	8	53.9 Å²	53.9	8%	0.082	28%	0.282	C	S	.	.			trans	79.8	28.4	179.1	0	0	0	0	0	113.6	A213 F215	G208-A213 WeakPolarHBondContact O-CB 3.35Å; G208-F215 VanDerWaalsContact O-CE2 3.28Å; G208-F215 WeakPolarHBondContact O-CE2 3.05Å; G208-F215 WeakPolarHBondContact O-CZ 3.47Å
209	I	87.3	Confident	90.2	Very high	41 Å²	41	54.5 Å²	54.5	21%	0.21	29%	0.286	C	S	.	.			trans	-102.5	140.2	-179.7	-57.4	164	0	0	0	110.2	I206 Y212 A213 L237	I206-I209 HydrophobicContact CB-CD1 4.13Å; I206-I209 HydrophobicContact CG2-CD1 3.63Å; I206-I209 HydrophobicContact CG2-CG1 4.04Å; I209-Y212 PolarHBondContact O-N 2.74Å; I209-A213 PolarHBondContact O-N 2.91Å; I209-L237 HydrophobicContact CD1-CD1 3.81Å; I209-L237 HydrophobicContact CD1-CG 4.32Å; I209-L237 HydrophobicContact CG1-CD1 4.45Å; I209-L237 HydrophobicContact CG2-CD1 3.92Å
210	P	87.3	Confident	90	Very high	51 Å²	51	56.2 Å²	56.2	33%	0.331	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	149.1	172	-21.7	34.1	0	0	0	112.7	F215 H235	P210-F215 HydrophobicContact CG-CD2 4.18Å; P210-F215 HydrophobicContact CG-CE2 3.88Å; P210-H235 HydrophobicContact CG-CB 4.24Å
211	P	84.6	Confident	89.5	Confident	112 Å²	112	60 Å²	60	73%	0.727	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	cis	-84.9	-4.9	2.9	35	-36.2	0	0	0	113.9	A213	P211-A213 VanDerWaalsContact C-N 3.34Å; P211-A213 PolarHBondContact O-N 2.65Å
212	Y	84.1	Confident	88.3	Confident	207 Å²	207	60.1 Å²	60.1	81%	0.812	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-35.7	-175.8	-57.2	-70.8	0	0	0	112.5	I209	I209-Y212 PolarHBondContact O-N 2.74Å
213	A	89.4	Confident	87.1	Confident	5 Å²	5	66.3 Å²	66.3	4%	0.041	34%	0.341	C	S	.	.	S	Bend	trans	-105.6	145.6	176.1	0	0	0	0	0	112.1	G208 I209 P211 F215 I255 D256	G208-A213 WeakPolarHBondContact O-CB 3.35Å; I209-A213 PolarHBondContact O-N 2.91Å; P211-A213 VanDerWaalsContact C-N 3.34Å; P211-A213 PolarHBondContact O-N 2.65Å; A213-F215 HydrophobicContact CB-CE2 4.28Å; A213-I255 HydrophobicContact CB-CG2 4.26Å; A213-D256 CarbonylContact C-O 3.49Å; A213-D256 WeakPolarHBondContact CA-O 3.47Å; A213-D256 WeakPolarHBondContact CB-O 3.34Å
214	R	91.7	Very high	85.6	Confident	187 Å²	187	77.8 Å²	77.8	71%	0.706	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.5	177.7	-61.7	177.5	-179.7	165.5	-1.7	110.2	D256	R214-D256 HydrophobicContact CB-CB 4.27Å; R214-D256 PolarHBondContact N-O 3.01Å; R214-D256 PolarHBondContact O-N 2.89Å
215	F	93.6	Very high	84.1	Confident	24 Å²	24	77.1 Å²	77.1	11%	0.105	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.6	-178	-71.3	-104.4	0	0	0	110.3	G208 P210 A213 P231 H235 L253 Q254 I255	G208-F215 VanDerWaalsContact O-CE2 3.28Å; G208-F215 WeakPolarHBondContact O-CE2 3.05Å; G208-F215 WeakPolarHBondContact O-CZ 3.47Å; P210-F215 HydrophobicContact CG-CD2 4.18Å; P210-F215 HydrophobicContact CG-CE2 3.88Å; A213-F215 HydrophobicContact CB-CE2 4.28Å; F215-P231 HydrophobicContact CB-CB 4.35Å; F215-P231 VanDerWaalsContact CB-O 3.23Å; F215-P231 WeakPolarHBondContact CB-O 3.3Å; F215-H235 HydrophobicContact CE1-CB 4.06Å; F215-H235 HydrophobicContact CE2-CB 3.77Å; F215-H235 HydrophobicContact CZ-CB 3.39Å; F215-L253 HydrophobicContact CD1-CD1 4.27Å; F215-L253 HydrophobicContact CD1-CG 4.48Å; F215-Q254 WeakPolarHBondContact CA-O 3.22Å; F215-I255 HydrophobicContact CD1-CG1 4Å; F215-I255 HydrophobicContact CE1-CB 4.49Å; F215-I255 HydrophobicContact CE1-CD1 3.87Å; F215-I255 HydrophobicContact CE1-CG1 3.64Å; F215-I255 HydrophobicContact CE1-CG2 4.3Å; F215-I255 HydrophobicContact CE2-CG2 4.49Å; F215-I255 HydrophobicContact CZ-CD1 4.37Å; F215-I255 HydrophobicContact CZ-CG1 4.28Å; F215-I255 HydrophobicContact CZ-CG2 4.11Å
216	A	94.1	Very high	82.4	Confident	40 Å²	40	75.4 Å²	75.4	33%	0.331	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.1	171.9	0	0	0	0	0	108.6	W252 Q254	A216-W252 HydrophobicContact CB-CZ3 4.4Å; A216-Q254 HydrophobicContact CB-CB 4.32Å; A216-Q254 PolarHBondContact N-O 3.08Å; A216-Q254 WeakPolarHBondContact O-CA 2.96Å; A216-Q254 WeakPolarHBondContact O-CB 3.35Å; A216-Q254 PolarHBondContact O-N 3.08Å
217	A	95.2	Very high	81.2	Confident	24 Å²	24	82.9 Å²	82.9	20%	0.198	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	160.7	177.6	0	0	0	0	0	111.5	S219 P231 W242 W252 L253	A217-S219 VanDerWaalsContact C-N 3.32Å; A217-S219 PolarHBondContact O-N 2.81Å; A217-P231 HydrophobicContact CB-CB 3.99Å; A217-P231 HydrophobicContact CB-CG 3.77Å; A217-W242 HydrophobicContact CB-CD2 4.5Å; A217-W242 HydrophobicContact CB-CZ2 3.96Å; A217-W252 VanDerWaalsContact C-CZ3 3.46Å; A217-W252 VanDerWaalsContact CA-CZ3 3.46Å; A217-W252 VanDerWaalsContact CA-O 3.28Å; A217-W252 WeakPolarHBondContact CA-O 3.15Å; A217-W252 WeakPolarHBondContact CB-O 3.15Å; A217-L253 HydrophobicContact CB-CD1 4.16Å
218	S	94.6	Very high	80.8	Confident	43 Å²	43	82.4 Å²	82.4	30%	0.301	40%	0.397	S	S	.	.	S	Bend	trans	-59.9	-41.8	173.3	53.7	0	0	0	0	112.6	Q251 W252	S218-Q251 VanDerWaalsContact OG-CA 3.26Å; S218-Q251 WeakPolarHBondContact OG-CA 2.96Å; S218-Q251 PolarHBondContact OG-OE1 3.46Å; S218-W252 PolarHBondContact N-O 3.3Å; S218-W252 PolarHBondContact OG-N 3.22Å; S218-W252 PolarHBondContact OG-O 2.71Å
219	S	92.8	Very high	81	Confident	18 Å²	18	82 Å²	82	13%	0.126	39%	0.393	C	S	.	.			trans	-153.2	155.5	175.1	75.3	0	0	0	0	110.2	A217 W242 Q245 R246 Q251	A217-S219 VanDerWaalsContact C-N 3.32Å; A217-S219 PolarHBondContact O-N 2.81Å; S219-W242 PolarHBondContact O-NE1 2.82Å; S219-Q245 PolarHBondContact OG-N 2.85Å; S219-R246 PolarHBondContact OG-N 3.41Å; S219-Q251 PolarHBondContact OG-OE1 3.03Å
220	S	89.1	Confident	81.2	Confident	37 Å²	37	80.6 Å²	80.6	26%	0.259	39%	0.386	S	S	.	.			trans	-143.7	148.3	173.3	69.5	0	0	0	0	110.6	G222 C243	S220-G222 PolarHBondContact O-N 2.73Å; S220-C243 WeakPolarHBondContact CA-O 3.24Å
221	R	81.3	Confident	81.4	Confident	99 Å²	99	79.2 Å²	79.2	37%	0.374	38%	0.377	S	S	.	.			trans	-61.8	125.7	179.1	-113.3	175.7	82.7	131.2	1.6	110.3	S225 C229 C243	R221-S225 PolarHBondContact NE-OG 2.84Å; R221-S225 VanDerWaalsContact NE-OG 3.1Å; R221-C229 HydrophobicContact CB-CB 4.02Å; R221-C243 PolarHBondContact N-O 2.86Å; R221-C243 VanDerWaalsContact N-O 3.17Å
222	G	65.3	Low	81.7	Confident	41 Å²	41	80.2 Å²	80.2	42%	0.423	37%	0.372	S	S	.	.			trans	-65.1	179.2	-170.8	0	0	0	0	0	116.6	S220 R224 S225	S220-G222 PolarHBondContact O-N 2.73Å; G222-R224 VanDerWaalsContact C-N 3.31Å; G222-R224 PolarHBondContact O-N 2.83Å; G222-S225 PolarHBondContact O-N 2.74Å
223	K	59.3	Low	82	Confident	182 Å²	182	73.8 Å²	73.8	79%	0.791	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-55.2	-29.6	-156.5	-83.2	-179.1	178.4	177.6	0	117.3	S225 Q226	K223-S225 PolarHBondContact O-N 3.4Å; K223-Q226 VanDerWaalsContact C-CG 3.49Å; K223-Q226 HydrophobicContact CB-CG 4.01Å; K223-Q226 HydrophobicContact CG-CG 3.97Å; K223-Q226 WeakPolarHBondContact O-CB 3.04Å; K223-Q226 WeakPolarHBondContact O-CG 3.06Å; K223-Q226 PolarHBondContact O-N 2.84Å
224	R	60.4	Low	82.1	Confident	264 Å²	264	73.5 Å²	73.5	100%	0.996	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-67.8	-18.7	176.8	-74.4	-178.8	179.6	163	-0	114	G222	G222-R224 VanDerWaalsContact C-N 3.31Å; G222-R224 PolarHBondContact O-N 2.83Å
225	S	59.3	Low	82.2	Confident	25 Å²	25	66.1 Å²	66.1	18%	0.175	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-103.1	5.6	179.6	-167.1	0	0	0	0	113.2	R221 G222 K223 R227	R221-S225 PolarHBondContact NE-OG 2.84Å; R221-S225 VanDerWaalsContact NE-OG 3.1Å; G222-S225 PolarHBondContact O-N 2.74Å; K223-S225 PolarHBondContact O-N 3.4Å; S225-R227 PolarHBondContact O-N 2.73Å
226	Q	55.6	Low	82.1	Confident	86 Å²	86	66.7 Å²	66.7	40%	0.402	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-10.6	-166.9	-73.1	-110.4	-54.7	0	0	116.4	K223 S228	K223-Q226 VanDerWaalsContact C-CG 3.49Å; K223-Q226 HydrophobicContact CB-CG 4.01Å; K223-Q226 HydrophobicContact CG-CG 3.97Å; K223-Q226 WeakPolarHBondContact O-CB 3.04Å; K223-Q226 WeakPolarHBondContact O-CG 3.06Å; K223-Q226 PolarHBondContact O-N 2.84Å; Q226-S228 PolarHBondContact O-N 2.88Å; Q226-S228 VanDerWaalsContact O-N 3.12Å
227	R	66.8	Low	82	Confident	221 Å²	221	70 Å²	70	83%	0.834	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21	-177.8	-70.6	-171.6	177.8	170.8	-0.1	112.3	S225 K240	S225-R227 PolarHBondContact O-N 2.73Å; R227-K240 WeakPolarHBondContact O-CD 3.3Å; R227-K240 WeakPolarHBondContact O-CE 3.36Å; R227-K240 PolarHBondContact O-NZ 3.05Å
228	S	81.8	Confident	81.8	Confident	15 Å²	15	69.1 Å²	69.1	11%	0.105	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-155.9	9.9	-174.1	57	0	0	0	0	118.9	Q226 A241 R271 D273	Q226-S228 PolarHBondContact O-N 2.88Å; Q226-S228 VanDerWaalsContact O-N 3.12Å; S228-A241 CarbonylContact C-O 3.55Å; S228-A241 PolarHBondContact O-N 3.44Å; S228-R271 PolarHBondContact OG-NH2 3.17Å; S228-D273 WeakPolarHBondContact CB-OD2 2.97Å; S228-D273 PolarHBondContact OG-OD2 3Å
229	C	88.1	Confident	81.5	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	34%	0.338	C	S	.	.			trans	-129.6	40.3	-172.5	-81.1	0	0	0	0	114.1	R221 A241 C243 R271	R221-C229 HydrophobicContact CB-CB 4.02Å; C229-A241 VanDerWaalsContact CA-O 3.32Å; C229-A241 WeakPolarHBondContact CA-O 3.45Å; C229-C243 VanDerWaalsContact CA-SG 3.5Å; C229-C243 HydrophobicContact CB-CB 3.51Å; C229-C243 WeakPolarHBondContact CB-SG 3.19Å; C229-C243 WeakPolarHBondContact SG-CB 3.4Å; C229-C243 CovalentContact SG-SG 2.05Å; C229-C243 PolarHBondContact SG-SG 2.9Å; C229-R271 PolarHBondContact SG-NH2 3.17Å; C229-R271 VanDerWaalsContact SG-NH2 3.43Å
230	T	90	Very high	81.4	Confident	12 Å²	12	73.9 Å²	73.9	7%	0.074	34%	0.342	C	S	.	.	S	Bend	trans	-103	157.5	177.1	68.9	0	0	0	0	110.9	E232 Y233 W242	T230-E232 PolarHBondContact O-N 2.79Å; T230-Y233 HydrophobicContact CG2-CD2 4.22Å; T230-Y233 HydrophobicContact CG2-CE2 4.25Å; T230-Y233 PolarHBondContact O-N 3.29Å; T230-Y233 WeakPolarHBondContact OG1-CD2 2.92Å; T230-Y233 WeakPolarHBondContact OG1-CE2 3.4Å; T230-W242 WeakPolarHBondContact O-CA 3.33Å
231	P	92.3	Very high	81.5	Confident	22 Å²	22	72.1 Å²	72.1	14%	0.143	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-58.3	-37.1	176.8	-24	35.4	0	0	0	112.9	F215 A217 Y233 G234 L253	F215-P231 HydrophobicContact CB-CB 4.35Å; F215-P231 VanDerWaalsContact CB-O 3.23Å; F215-P231 WeakPolarHBondContact CB-O 3.3Å; A217-P231 HydrophobicContact CB-CB 3.99Å; A217-P231 HydrophobicContact CB-CG 3.77Å; P231-Y233 VanDerWaalsContact C-N 3.25Å; P231-Y233 PolarHBondContact O-N 3.13Å; P231-G234 WeakPolarHBondContact O-CA 3.09Å; P231-G234 PolarHBondContact O-N 3.07Å; P231-L253 HydrophobicContact CB-CD1 4.26Å
232	E	90.5	Very high	82.1	Confident	132 Å²	132	67.4 Å²	67.4	62%	0.617	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-59	-34.9	177.8	-65.5	175.6	175.6	0	0	112.8	T230 G234 H235	T230-E232 PolarHBondContact O-N 2.79Å; E232-G234 PolarHBondContact O-N 2.9Å; E232-H235 PolarHBondContact O-CD2 2.78Å; E232-H235 VanDerWaalsContact O-CD2 3.23Å
233	Y	90.7	Very high	83.4	Confident	72 Å²	72	65.7 Å²	65.7	28%	0.282	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-79.6	1.7	175.3	-66.3	-47.8	0	0	0	113.9	T230 P231 H235 S238 K240 A241	T230-Y233 HydrophobicContact CG2-CD2 4.22Å; T230-Y233 HydrophobicContact CG2-CE2 4.25Å; T230-Y233 PolarHBondContact O-N 3.29Å; T230-Y233 WeakPolarHBondContact OG1-CD2 2.92Å; T230-Y233 WeakPolarHBondContact OG1-CE2 3.4Å; P231-Y233 VanDerWaalsContact C-N 3.25Å; P231-Y233 PolarHBondContact O-N 3.13Å; Y233-H235 PolarHBondContact O-N 3.49Å; Y233-S238 WeakPolarHBondContact O-CB 3.19Å; Y233-S238 PolarHBondContact O-OG 2.73Å; Y233-K240 HydrophobicContact CD1-CB 4.26Å; Y233-K240 HydrophobicContact CD1-CD 3.56Å; Y233-K240 HydrophobicContact CD2-CB 4.27Å; Y233-K240 HydrophobicContact CD2-CD 3.71Å; Y233-K240 HydrophobicContact CE1-CD 3.57Å; Y233-K240 HydrophobicContact CE2-CD 3.77Å; Y233-K240 HydrophobicContact CG-CB 3.85Å; Y233-K240 HydrophobicContact CG-CD 3.65Å; Y233-K240 HydrophobicContact CG-CG 4.42Å; Y233-K240 VanDerWaalsContact CZ-NZ 3.26Å; Y233-K240 PolarHBondContact OH-NZ 2.98Å; Y233-K240 VanDerWaalsContact OH-NZ 3.09Å; Y233-A241 CarbonylContact O-C 3.55Å; Y233-A241 WeakPolarHBondContact O-CA 3.23Å
234	G	92.4	Very high	85.1	Confident	0 Å²	0	57 Å²	57	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-74.5	-2.7	175.8	0	0	0	0	0	114.2	P231 E232 R345 V346	P231-G234 WeakPolarHBondContact O-CA 3.09Å; P231-G234 PolarHBondContact O-N 3.07Å; E232-G234 PolarHBondContact O-N 2.9Å; G234-R345 CarbonylContact O-C 3.51Å; G234-R345 VanDerWaalsContact O-CA 3.31Å; G234-R345 WeakPolarHBondContact O-CA 3.48Å; G234-V346 PolarHBondContact O-N 2.75Å
235	H	93.3	Very high	86.5	Confident	32 Å²	32	50 Å²	50	15%	0.148	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-73.1	150.6	176.2	77	104.1	0	0	0	112.6	P210 F215 E232 Y233 L237 S238 V346	P210-H235 HydrophobicContact CG-CB 4.24Å; F215-H235 HydrophobicContact CE1-CB 4.06Å; F215-H235 HydrophobicContact CE2-CB 3.77Å; F215-H235 HydrophobicContact CZ-CB 3.39Å; E232-H235 PolarHBondContact O-CD2 2.78Å; E232-H235 VanDerWaalsContact O-CD2 3.23Å; Y233-H235 PolarHBondContact O-N 3.49Å; H235-L237 VanDerWaalsContact C-N 3.34Å; H235-L237 PolarHBondContact ND1-N 3.32Å; H235-L237 PolarHBondContact O-N 2.89Å; H235-S238 PolarHBondContact CE1-N 3.3Å; H235-S238 VanDerWaalsContact CE1-N 3.26Å; H235-S238 WeakPolarHBondContact NE2-CB 3.4Å; H235-S238 WeakPolarHBondContact O-CB 3.45Å; H235-S238 PolarHBondContact O-N 2.93Å; H235-S238 VanDerWaalsContact O-N 3.11Å; H235-V346 CarbonylContact C-O 3.56Å
236	Y	91.8	Very high	88.1	Confident	36 Å²	36	57 Å²	57	14%	0.141	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-43.6	-176	173.4	-96.2	0	0	0	115	I206 S238 I267 K269 E317 V346	I206-Y236 HydrophobicContact CD1-CD1 3.8Å; I206-Y236 HydrophobicContact CD1-CE1 3.6Å; Y236-S238 VanDerWaalsContact C-N 3.26Å; Y236-S238 PolarHBondContact O-N 2.74Å; Y236-I267 HydrophobicContact CD2-CB 4.05Å; Y236-I267 HydrophobicContact CD2-CD1 4.37Å; Y236-I267 HydrophobicContact CD2-CG2 3.72Å; Y236-I267 HydrophobicContact CE2-CB 4.16Å; Y236-I267 HydrophobicContact CE2-CD1 4.15Å; Y236-I267 HydrophobicContact CE2-CG2 3.43Å; Y236-I267 VanDerWaalsContact CE2-CG2 3.43Å; Y236-K269 HydrophobicContact CD2-CD 3.71Å; Y236-K269 HydrophobicContact CD2-CG 4.12Å; Y236-K269 HydrophobicContact CE2-CD 3.41Å; Y236-K269 VanDerWaalsContact CE2-CD 3.41Å; Y236-K269 HydrophobicContact CE2-CG 3.96Å; Y236-E317 HydrophobicContact CE2-CG 4.45Å; Y236-E317 VanDerWaalsContact CE2-OE1 3.29Å; Y236-E317 WeakPolarHBondContact CE2-OE1 3.42Å; Y236-E317 VanDerWaalsContact OH-CD 3.26Å; Y236-E317 PolarHBondContact OH-OE1 2.92Å; Y236-E317 PolarHBondContact OH-OE2 2.85Å; Y236-V346 PolarHBondContact N-O 3.46Å
237	L	90.8	Very high	89.9	Confident	109 Å²	109	55.8 Å²	55.8	57%	0.571	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-9.9	-176.3	-62.5	176.4	0	0	0	113.9	I209 H235	I209-L237 HydrophobicContact CD1-CD1 3.81Å; I209-L237 HydrophobicContact CD1-CG 4.32Å; I209-L237 HydrophobicContact CG1-CD1 4.45Å; I209-L237 HydrophobicContact CG2-CD1 3.92Å; H235-L237 VanDerWaalsContact C-N 3.34Å; H235-L237 PolarHBondContact ND1-N 3.32Å; H235-L237 PolarHBondContact O-N 2.89Å
238	S	90.6	Very high	91.3	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.042	23%	0.225	C	C	.	.			trans	-64.3	143.1	-179.4	-174.1	0	0	0	0	111.3	Y233 H235 Y236 K240 R345	Y233-S238 WeakPolarHBondContact O-CB 3.19Å; Y233-S238 PolarHBondContact O-OG 2.73Å; H235-S238 PolarHBondContact CE1-N 3.3Å; H235-S238 VanDerWaalsContact CE1-N 3.26Å; H235-S238 WeakPolarHBondContact NE2-CB 3.4Å; H235-S238 WeakPolarHBondContact O-CB 3.45Å; H235-S238 PolarHBondContact O-N 2.93Å; H235-S238 VanDerWaalsContact O-N 3.11Å; Y236-S238 VanDerWaalsContact C-N 3.26Å; Y236-S238 PolarHBondContact O-N 2.74Å; S238-K240 VanDerWaalsContact C-N 3.27Å; S238-K240 WeakPolarHBondContact OG-CB 3.44Å; S238-K240 PolarHBondContact OG-N 2.05Å; S238-R345 WeakPolarHBondContact O-CD 3.37Å; S238-R345 PolarHBondContact O-NH1 2.93Å
239	N	88.8	Confident	91.8	Very high	113 Å²	113	49.8 Å²	49.8	60%	0.604	24%	0.243	S	C	*	.	S	Bend	trans	-83.6	-5.2	164.9	63.6	-15.2	0	0	0	112.9	G272 D273	N239-G272 CarbonylContact O-C 3.1Å; N239-G272 VanDerWaalsContact O-CA 3.28Å; N239-G272 WeakPolarHBondContact O-CA 3.46Å; N239-D273 PolarHBondContact O-N 3.13Å; N239-D273 VanDerWaalsContact O-N 3.16Å
240	K	90.5	Very high	92.1	Very high	48 Å²	48	56.6 Å²	56.6	21%	0.209	28%	0.278	C	S	.	.	S	Bend	trans	-103.3	-152.1	179	-65.7	161.9	-178.5	-162.5	0	109.4	R227 Y233 S238 R345	R227-K240 WeakPolarHBondContact O-CD 3.3Å; R227-K240 WeakPolarHBondContact O-CE 3.36Å; R227-K240 PolarHBondContact O-NZ 3.05Å; Y233-K240 HydrophobicContact CD1-CB 4.26Å; Y233-K240 HydrophobicContact CD1-CD 3.56Å; Y233-K240 HydrophobicContact CD2-CB 4.27Å; Y233-K240 HydrophobicContact CD2-CD 3.71Å; Y233-K240 HydrophobicContact CE1-CD 3.57Å; Y233-K240 HydrophobicContact CE2-CD 3.77Å; Y233-K240 HydrophobicContact CG-CB 3.85Å; Y233-K240 HydrophobicContact CG-CD 3.65Å; Y233-K240 HydrophobicContact CG-CG 4.42Å; Y233-K240 VanDerWaalsContact CZ-NZ 3.26Å; Y233-K240 PolarHBondContact OH-NZ 2.98Å; Y233-K240 VanDerWaalsContact OH-NZ 3.09Å; S238-K240 VanDerWaalsContact C-N 3.27Å; S238-K240 WeakPolarHBondContact OG-CB 3.44Å; S238-K240 PolarHBondContact OG-N 2.05Å; K240-R345 WeakPolarHBondContact O-CD 3.41Å; K240-R345 VanDerWaalsContact O-CG 3.31Å; K240-R345 WeakPolarHBondContact O-CG 3.39Å
241	A	92.4	Very high	92.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.277	C	S	.	.			trans	-158.5	171.5	170.6	0	0	0	0	0	112.3	S228 C229 Y233 R271 R345	S228-A241 CarbonylContact C-O 3.55Å; S228-A241 PolarHBondContact O-N 3.44Å; C229-A241 VanDerWaalsContact CA-O 3.32Å; C229-A241 WeakPolarHBondContact CA-O 3.45Å; Y233-A241 CarbonylContact O-C 3.55Å; Y233-A241 WeakPolarHBondContact O-CA 3.23Å; A241-R271 HydrophobicContact CB-CB 4.03Å; A241-R271 HydrophobicContact CB-CG 3.8Å; A241-R345 HydrophobicContact CB-CG 4.18Å
242	W	93.4	Very high	92.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	135.1	154.7	168.1	69.4	0	0	0	109.1	A217 S219 T230 A244 Q251 L253 P335 I342 A343 M344	A217-W242 HydrophobicContact CB-CD2 4.5Å; A217-W242 HydrophobicContact CB-CZ2 3.96Å; S219-W242 PolarHBondContact O-NE1 2.82Å; T230-W242 WeakPolarHBondContact O-CA 3.33Å; W242-A244 HydrophobicContact CH2-CB 3.87Å; W242-A244 HydrophobicContact CZ2-CB 3.69Å; W242-Q251 HydrophobicContact CH2-CB 4.05Å; W242-L253 HydrophobicContact CB-CD1 3.99Å; W242-L253 HydrophobicContact CB-CD2 4.16Å; W242-L253 HydrophobicContact CD2-CB 4.15Å; W242-L253 HydrophobicContact CD2-CD1 4.04Å; W242-L253 HydrophobicContact CD2-CG 4.47Å; W242-L253 HydrophobicContact CE3-CB 3.9Å; W242-L253 HydrophobicContact CE3-CD2 4.3Å; W242-L253 HydrophobicContact CE3-CG 4.48Å; W242-L253 HydrophobicContact CG-CD1 3.79Å; W242-L253 HydrophobicContact CH2-CB 4.48Å; W242-L253 HydrophobicContact CZ3-CB 4.1Å; W242-P335 HydrophobicContact CH2-CG 4.48Å; W242-P335 HydrophobicContact CZ3-CG 4.49Å; W242-I342 HydrophobicContact CE3-CG2 4.49Å; W242-I342 HydrophobicContact CH2-CG2 3.9Å; W242-I342 HydrophobicContact CZ3-CG2 3.62Å; W242-A343 WeakPolarHBondContact O-CA 3.35Å; W242-M344 HydrophobicContact CE3-CE 4.14Å; W242-M344 HydrophobicContact CE3-CG 3.8Å; W242-M344 HydrophobicContact CZ3-CE 3.51Å; W242-M344 HydrophobicContact CZ3-CG 4.15Å; W242-M344 PolarHBondContact N-O 2.84Å; W242-M344 VanDerWaalsContact N-O 3.12Å; W242-M344 PolarHBondContact O-N 2.87Å; W242-M344 VanDerWaalsContact O-N 3.07Å
243	C	92.8	Very high	92.9	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122	174.4	-40.5	0	0	0	0	109.1	S220 R221 C229 I342 A343	S220-C243 WeakPolarHBondContact CA-O 3.24Å; R221-C243 PolarHBondContact N-O 2.86Å; R221-C243 VanDerWaalsContact N-O 3.17Å; C229-C243 VanDerWaalsContact CA-SG 3.5Å; C229-C243 HydrophobicContact CB-CB 3.51Å; C229-C243 WeakPolarHBondContact CB-SG 3.19Å; C229-C243 WeakPolarHBondContact SG-CB 3.4Å; C229-C243 CovalentContact SG-SG 2.05Å; C229-C243 PolarHBondContact SG-SG 2.9Å; C243-I342 WeakPolarHBondContact CA-O 3.34Å; C243-A343 HydrophobicContact CB-CB 4.46Å
244	A	93.9	Very high	93.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	24%	0.242	C	C	.	.			trans	-68.2	142.3	177.8	0	0	0	0	0	110.8	W242 R246 Q247 Q251 I342	W242-A244 HydrophobicContact CH2-CB 3.87Å; W242-A244 HydrophobicContact CZ2-CB 3.69Å; A244-R246 VanDerWaalsContact CB-O 3.24Å; A244-R246 WeakPolarHBondContact CB-O 3.32Å; A244-Q247 PolarHBondContact O-NE2 3.44Å; A244-Q251 HydrophobicContact CB-CB 4.29Å; A244-Q251 HydrophobicContact CB-CG 3.92Å; A244-I342 HydrophobicContact CB-CB 3.9Å; A244-I342 HydrophobicContact CB-CD1 4.27Å; A244-I342 HydrophobicContact CB-CG2 3.85Å; A244-I342 PolarHBondContact N-O 2.82Å; A244-I342 VanDerWaalsContact N-O 3.11Å
245	Q	91.6	Very high	93.3	Very high	116 Å²	116	49.5 Å²	49.5	54%	0.542	24%	0.243	S	C	.	.	S	Bend	trans	-72.6	-50.5	173.7	-175.3	177.1	-2.7	0	0	110	S219	S219-Q245 PolarHBondContact OG-N 2.85Å
246	R	92.7	Very high	93.4	Very high	171 Å²	171	48.8 Å²	48.8	65%	0.645	24%	0.24	S	C	*	.	S	Bend	trans	-86.4	147.8	175.4	-58.4	-177.1	-177.3	-165.6	0.2	110	S219 A244 D248	S219-R246 PolarHBondContact OG-N 3.41Å; A244-R246 VanDerWaalsContact CB-O 3.24Å; A244-R246 WeakPolarHBondContact CB-O 3.32Å; R246-D248 WeakPolarHBondContact CB-OD2 3.42Å
247	Q	93.4	Very high	93.3	Very high	62 Å²	62	47.7 Å²	47.7	29%	0.29	24%	0.237	S	C	.	.			trans	-114.6	67.8	-175.6	-57.4	-61.7	-59.8	0	0	109.1	A244 W338 R341	A244-Q247 PolarHBondContact O-NE2 3.44Å; Q247-W338 HydrophobicContact CB-CZ2 4.32Å; Q247-W338 WeakPolarHBondContact O-CZ2 3.29Å; Q247-R341 VanDerWaalsContact OE1-CA 3.24Å
248	D	94.9	Very high	93.1	Very high	51 Å²	51	43.3 Å²	43.3	27%	0.273	22%	0.218	S	C	.	.	S	Bend	trans	-133.4	164.7	-179.5	60.4	52	0	0	0	110.4	R246 L250 Q251 W338 I342	R246-D248 WeakPolarHBondContact CB-OD2 3.42Å; D248-L250 PolarHBondContact O-N 3.17Å; D248-L250 WeakPolarHBondContact OD1-CA 3.13Å; D248-L250 WeakPolarHBondContact OD1-CB 3.25Å; D248-L250 PolarHBondContact OD1-N 3.06Å; D248-Q251 VanDerWaalsContact CG-NE2 3.33Å; D248-Q251 WeakPolarHBondContact O-CG 3.45Å; D248-Q251 WeakPolarHBondContact OD1-CG 3.3Å; D248-Q251 PolarHBondContact OD1-N 3.37Å; D248-Q251 PolarHBondContact OD1-NE2 2.92Å; D248-Q251 PolarHBondContact OD2-NE2 2.86Å; D248-W338 VanDerWaalsContact C-CH2 3.44Å; D248-I342 WeakPolarHBondContact O-CD1 3.46Å
249	A	93	Very high	92.6	Very high	58 Å²	58	44.4 Å²	44.4	48%	0.479	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	2.5	-178.5	0	0	0	0	0	113.7
250	L	94.6	Very high	92.4	Very high	143 Å²	143	39.1 Å²	39.1	75%	0.749	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-2.2	177.6	-60.9	173.6	0	0	0	112.1	D248	D248-L250 PolarHBondContact O-N 3.17Å; D248-L250 WeakPolarHBondContact OD1-CA 3.13Å; D248-L250 WeakPolarHBondContact OD1-CB 3.25Å; D248-L250 PolarHBondContact OD1-N 3.06Å
251	Q	96.9	Very high	92.3	Very high	10 Å²	10	37 Å²	37	5%	0.047	19%	0.188	C	C	.	.			trans	-69	151.5	176.8	-58.9	-52	-59.5	0	0	111.2	S218 S219 W242 A244 D248 P335 I342	S218-Q251 VanDerWaalsContact OG-CA 3.26Å; S218-Q251 WeakPolarHBondContact OG-CA 2.96Å; S218-Q251 PolarHBondContact OG-OE1 3.46Å; S219-Q251 PolarHBondContact OG-OE1 3.03Å; W242-Q251 HydrophobicContact CH2-CB 4.05Å; A244-Q251 HydrophobicContact CB-CB 4.29Å; A244-Q251 HydrophobicContact CB-CG 3.92Å; D248-Q251 VanDerWaalsContact CG-NE2 3.33Å; D248-Q251 WeakPolarHBondContact O-CG 3.45Å; D248-Q251 WeakPolarHBondContact OD1-CG 3.3Å; D248-Q251 PolarHBondContact OD1-N 3.37Å; D248-Q251 PolarHBondContact OD1-NE2 2.92Å; D248-Q251 PolarHBondContact OD2-NE2 2.86Å; Q251-P335 HydrophobicContact CB-CG 4.16Å; Q251-P335 VanDerWaalsContact O-CD 3.29Å; Q251-P335 WeakPolarHBondContact O-CD 3.43Å; Q251-I342 HydrophobicContact CB-CD1 4.22Å; Q251-I342 HydrophobicContact CG-CD1 3.96Å
252	W	96.6	Very high	92.4	Very high	56 Å²	56	39.4 Å²	39.4	21%	0.212	20%	0.2	C	C	.	.			trans	-149.1	147.6	174	52.4	-98.4	0	0	0	111.5	A216 A217 S218 Q254 R332 I333	A216-W252 HydrophobicContact CB-CZ3 4.4Å; A217-W252 VanDerWaalsContact C-CZ3 3.46Å; A217-W252 VanDerWaalsContact CA-CZ3 3.46Å; A217-W252 VanDerWaalsContact CA-O 3.28Å; A217-W252 WeakPolarHBondContact CA-O 3.15Å; A217-W252 WeakPolarHBondContact CB-O 3.15Å; S218-W252 PolarHBondContact N-O 3.3Å; S218-W252 PolarHBondContact OG-N 3.22Å; S218-W252 PolarHBondContact OG-O 2.71Å; W252-Q254 HydrophobicContact CE3-CB 3.64Å; W252-Q254 HydrophobicContact CZ3-CB 3.43Å; W252-Q254 VanDerWaalsContact CZ3-CB 3.43Å; W252-Q254 HydrophobicContact CZ3-CG 4.48Å; W252-R332 HydrophobicContact CB-CB 4.49Å; W252-R332 HydrophobicContact CB-CG 4.38Å; W252-R332 HydrophobicContact CD2-CG 4.29Å; W252-R332 HydrophobicContact CE3-CG 4.02Å; W252-R332 HydrophobicContact CG-CG 4.47Å; W252-I333 VanDerWaalsContact CA-O 3.29Å; W252-I333 WeakPolarHBondContact CA-O 3.44Å
253	L	96.4	Very high	92.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.9	164.8	-179.5	65.1	0	0	0	108.1	F215 A217 P231 W242 R332 I333 V346	F215-L253 HydrophobicContact CD1-CD1 4.27Å; F215-L253 HydrophobicContact CD1-CG 4.48Å; A217-L253 HydrophobicContact CB-CD1 4.16Å; P231-L253 HydrophobicContact CB-CD1 4.26Å; W242-L253 HydrophobicContact CB-CD1 3.99Å; W242-L253 HydrophobicContact CB-CD2 4.16Å; W242-L253 HydrophobicContact CD2-CB 4.15Å; W242-L253 HydrophobicContact CD2-CD1 4.04Å; W242-L253 HydrophobicContact CD2-CG 4.47Å; W242-L253 HydrophobicContact CE3-CB 3.9Å; W242-L253 HydrophobicContact CE3-CD2 4.3Å; W242-L253 HydrophobicContact CE3-CG 4.48Å; W242-L253 HydrophobicContact CG-CD1 3.79Å; W242-L253 HydrophobicContact CH2-CB 4.48Å; W242-L253 HydrophobicContact CZ3-CB 4.1Å; L253-R332 CarbonylContact O-C 3.51Å; L253-R332 VanDerWaalsContact O-CA 3.28Å; L253-R332 WeakPolarHBondContact O-CA 2.98Å; L253-I333 PolarHBondContact N-O 2.84Å; L253-I333 WeakPolarHBondContact O-CD1 3.24Å; L253-I333 PolarHBondContact O-N 2.79Å; L253-V346 HydrophobicContact CD2-CB 4.43Å; L253-V346 HydrophobicContact CD2-CG2 3.94Å
254	Q	95.6	Very high	92.6	Very high	22 Å²	22	39.5 Å²	39.5	10%	0.103	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.7	-179.8	-179.9	177.4	-54.8	0	0	110.4	F215 A216 W252 W294 V331 R332	F215-Q254 WeakPolarHBondContact CA-O 3.22Å; A216-Q254 HydrophobicContact CB-CB 4.32Å; A216-Q254 PolarHBondContact N-O 3.08Å; A216-Q254 WeakPolarHBondContact O-CA 2.96Å; A216-Q254 WeakPolarHBondContact O-CB 3.35Å; A216-Q254 PolarHBondContact O-N 3.08Å; W252-Q254 HydrophobicContact CE3-CB 3.64Å; W252-Q254 HydrophobicContact CZ3-CB 3.43Å; W252-Q254 VanDerWaalsContact CZ3-CB 3.43Å; W252-Q254 HydrophobicContact CZ3-CG 4.48Å; Q254-W294 HydrophobicContact CG-CH2 4.15Å; Q254-V331 CarbonylContact C-O 3.54Å; Q254-V331 WeakPolarHBondContact CA-O 3.34Å; Q254-R332 HydrophobicContact CB-CG 3.73Å; Q254-R332 HydrophobicContact CG-CG 4.03Å
255	I	95.7	Very high	92.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	115.7	174.7	-48.7	179.3	0	0	0	106.7	A213 F215 V257 Y330 V331 I333 V346 L348	A213-I255 HydrophobicContact CB-CG2 4.26Å; F215-I255 HydrophobicContact CD1-CG1 4Å; F215-I255 HydrophobicContact CE1-CB 4.49Å; F215-I255 HydrophobicContact CE1-CD1 3.87Å; F215-I255 HydrophobicContact CE1-CG1 3.64Å; F215-I255 HydrophobicContact CE1-CG2 4.3Å; F215-I255 HydrophobicContact CE2-CG2 4.49Å; F215-I255 HydrophobicContact CZ-CD1 4.37Å; F215-I255 HydrophobicContact CZ-CG1 4.28Å; F215-I255 HydrophobicContact CZ-CG2 4.11Å; I255-V257 HydrophobicContact CG2-CG2 4.38Å; I255-Y330 WeakPolarHBondContact O-CA 3.48Å; I255-V331 PolarHBondContact N-O 3.08Å; I255-V331 PolarHBondContact O-N 3.43Å; I255-I333 HydrophobicContact CD1-CD1 3.76Å; I255-I333 HydrophobicContact CG1-CD1 4.05Å; I255-V346 HydrophobicContact CD1-CB 4.15Å; I255-V346 HydrophobicContact CD1-CG1 3.84Å; I255-L348 HydrophobicContact CB-CD1 4.21Å; I255-L348 HydrophobicContact CD1-CD1 4.01Å; I255-L348 HydrophobicContact CD1-CG 3.98Å; I255-L348 HydrophobicContact CG2-CD1 4.13Å
256	D	94.1	Very high	92.9	Very high	18 Å²	18	34 Å²	34	10%	0.096	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	106.2	164.5	-178.1	1.6	0	0	0	107.1	A213 R214 G258 R329 Y330	A213-D256 CarbonylContact C-O 3.49Å; A213-D256 WeakPolarHBondContact CA-O 3.47Å; A213-D256 WeakPolarHBondContact CB-O 3.34Å; R214-D256 HydrophobicContact CB-CB 4.27Å; R214-D256 PolarHBondContact N-O 3.01Å; R214-D256 PolarHBondContact O-N 2.89Å; D256-G258 PolarHBondContact O-N 2.91Å; D256-G258 PolarHBondContact OD1-N 2.88Å; D256-R329 VanDerWaalsContact OD1-CG 3.26Å; D256-R329 WeakPolarHBondContact OD1-CG 3.12Å; D256-R329 IonicContact OD1-CZ 3.57Å; D256-R329 IonicContact OD1-NE 3.05Å; D256-R329 PolarHBondContact OD1-NE 3.29Å; D256-R329 IonicContact OD1-NH2 2.85Å; D256-R329 IonicContact OD2-CZ 2.92Å; D256-R329 IonicContact OD2-NE 3.95Å; D256-R329 IonicContact OD2-NH2 3.64Å; D256-R329 PolarHBondContact OD2-NH2 3.29Å; D256-Y330 HydrophobicContact CB-CD1 3.69Å; D256-Y330 HydrophobicContact CB-CE1 3.58Å; D256-Y330 VanDerWaalsContact OD2-CE1 3.3Å; D256-Y330 WeakPolarHBondContact OD2-CE1 3.21Å
257	V	91.3	Very high	93.1	Very high	13 Å²	13	26 Å²	26	8%	0.079	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-10.7	-178.6	-152.3	0	0	0	0	111.4	I207 I255 P259 T261 I263 R329 L348	I207-V257 HydrophobicContact CB-CG1 4.29Å; I207-V257 HydrophobicContact CD1-CG1 4.22Å; I207-V257 HydrophobicContact CG1-CG1 4.41Å; I255-V257 HydrophobicContact CG2-CG2 4.38Å; V257-P259 WeakPolarHBondContact O-CD 3.5Å; V257-T261 HydrophobicContact CG1-CG2 4.18Å; V257-I263 HydrophobicContact CG2-CD1 4.47Å; V257-R329 WeakPolarHBondContact CG2-O 3.49Å; V257-R329 PolarHBondContact N-O 2.94Å; V257-L348 HydrophobicContact CG2-CD1 3.89Å
258	G	84.9	Confident	93.2	Very high	16 Å²	16	23.1 Å²	23.1	17%	0.165	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	97.8	-105.9	-179.1	0	0	0	0	0	111.9	D256 R329	D256-G258 PolarHBondContact O-N 2.91Å; D256-G258 PolarHBondContact OD1-N 2.88Å; G258-R329 WeakPolarHBondContact O-CD 3.47Å; G258-R329 WeakPolarHBondContact O-CG 3.49Å; G258-R329 PolarHBondContact O-NE 2.58Å
259	P	81.6	Confident	93.1	Very high	29 Å²	29	22.5 Å²	22.5	19%	0.188	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	161.9	174.2	29.8	-32.5	0	0	0	112.2	V257 T261 F361 C370	V257-P259 WeakPolarHBondContact O-CD 3.5Å; P259-T261 WeakPolarHBondContact O-CG2 3.04Å; P259-T261 PolarHBondContact O-N 3.5Å; P259-T261 VanDerWaalsContact O-N 3.15Å; P259-F361 HydrophobicContact CB-CD1 4.2Å; P259-F361 HydrophobicContact CB-CE1 4.26Å; P259-C370 HydrophobicContact CB-CB 4.34Å; P259-C370 WeakPolarHBondContact CB-O 3.44Å
260	P	83.5	Confident	93.1	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.013	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	120	171.3	-19.3	28.7	0	0	0	109.8	I327 S358 F361	P260-I327 HydrophobicContact CB-CG2 3.93Å; P260-S358 WeakPolarHBondContact CG-OG 3.39Å; P260-F361 VanDerWaalsContact CD-CD1 3.43Å; P260-F361 VanDerWaalsContact CD-CG 3.48Å; P260-F361 HydrophobicContact CG-CD1 4.32Å; P260-F361 HydrophobicContact CG-CD2 3.59Å; P260-F361 HydrophobicContact CG-CE2 3.85Å; P260-F361 HydrophobicContact CG-CG 3.88Å; P260-F361 HydrophobicContact CG-CZ 4.35Å
261	T	90	Very high	92.8	Very high	5 Å²	5	15 Å²	15	3%	0.031	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144	-176.6	46.3	0	0	0	0	109.7	V257 P259 I263 I327 A328	V257-T261 HydrophobicContact CG1-CG2 4.18Å; P259-T261 WeakPolarHBondContact O-CG2 3.04Å; P259-T261 PolarHBondContact O-N 3.5Å; P259-T261 VanDerWaalsContact O-N 3.15Å; T261-I263 PolarHBondContact O-N 3.08Å; T261-I263 WeakPolarHBondContact OG1-CD1 3Å; T261-I327 WeakPolarHBondContact O-CA 3.41Å; T261-A328 PolarHBondContact N-O 2.55Å; T261-A328 PolarHBondContact O-N 2.77Å; T261-A328 PolarHBondContact OG1-O 2.67Å; T261-A328 VanDerWaalsContact OG1-O 3.12Å
262	L	93.1	Very high	92.3	Very high	49 Å²	49	16.4 Å²	16.4	26%	0.257	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	115.7	171.7	-178.1	69	0	0	0	108.1	T264 P325 I327 G350 C351	L262-T264 HydrophobicContact CD2-CG2 4.31Å; L262-T264 HydrophobicContact CG-CG2 4.29Å; L262-P325 HydrophobicContact CD1-CB 3.85Å; L262-P325 HydrophobicContact CG-CB 4.26Å; L262-I327 HydrophobicContact CD1-CG1 3.85Å; L262-G350 WeakPolarHBondContact O-CA 3.3Å; L262-C351 PolarHBondContact N-O 2.89Å; L262-C351 PolarHBondContact O-N 3.42Å; L262-C351 VanDerWaalsContact O-N 3.11Å
263	I	95.2	Very high	91.7	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	119.8	177.1	-48.7	-56.2	0	0	0	108.2	I207 V257 T261 L322 P325 F326 V331 L348	I207-I263 HydrophobicContact CD1-CD1 3.47Å; I207-I263 VanDerWaalsContact CD1-CD1 3.47Å; V257-I263 HydrophobicContact CG2-CD1 4.47Å; T261-I263 PolarHBondContact O-N 3.08Å; T261-I263 WeakPolarHBondContact OG1-CD1 3Å; I263-L322 HydrophobicContact CG2-CD1 4.06Å; I263-P325 VanDerWaalsContact O-CA 3.24Å; I263-P325 WeakPolarHBondContact O-CA 2.99Å; I263-P325 WeakPolarHBondContact O-CB 3.21Å; I263-F326 HydrophobicContact CB-CD2 4.35Å; I263-F326 HydrophobicContact CB-CE1 4.47Å; I263-F326 HydrophobicContact CB-CE2 3.96Å; I263-F326 HydrophobicContact CB-CZ 4.04Å; I263-F326 HydrophobicContact CG1-CD2 4.34Å; I263-F326 HydrophobicContact CG1-CE2 3.85Å; I263-F326 HydrophobicContact CG1-CZ 4.31Å; I263-F326 HydrophobicContact CG2-CE2 4.47Å; I263-F326 HydrophobicContact CG2-CZ 4.1Å; I263-F326 PolarHBondContact N-O 3.1Å; I263-F326 PolarHBondContact O-N 3.24Å; I263-F326 VanDerWaalsContact O-N 3.17Å; I263-V331 HydrophobicContact CD1-CG2 4.44Å; I263-V331 HydrophobicContact CG1-CG2 4.14Å; I263-L348 HydrophobicContact CD1-CD1 4.33Å; I263-L348 HydrophobicContact CG2-CD2 4.36Å
264	T	95.9	Very high	90.7	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.031	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-16.5	-178.6	56.2	0	0	0	0	112.5	V111 C203 L262 L322 P325 L349 G350	V111-T264 HydrophobicContact CG1-CG2 4.06Å; C203-T264 HydrophobicContact CB-CG2 3.87Å; C203-T264 WeakPolarHBondContact O-CG2 3.2Å; C203-T264 PolarHBondContact O-OG1 3.43Å; L262-T264 HydrophobicContact CD2-CG2 4.31Å; L262-T264 HydrophobicContact CG-CG2 4.29Å; T264-L322 PolarHBondContact O-N 2.79Å; T264-P325 HydrophobicContact CG2-CB 4.19Å; T264-P325 HydrophobicContact CG2-CG 4.31Å; T264-L349 PolarHBondContact N-O 3.14Å; T264-L349 VanDerWaalsContact OG1-C 3.27Å; T264-L349 PolarHBondContact OG1-O 2.94Å; T264-G350 WeakPolarHBondContact OG1-CA 3.3Å; T264-G350 PolarHBondContact OG1-N 2.98Å
265	G	95.8	Very high	89.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	172.5	-178.3	0	0	0	0	0	114	H320 L349	G265-H320 CarbonylContact C-O 2.7Å; G265-H320 WeakPolarHBondContact CA-O 3.47Å; G265-L349 PolarHBondContact N-O 2.87Å; G265-L349 PolarHBondContact O-N 2.9Å
266	V	96.2	Very high	88.4	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.5	175.1	62.9	0	0	0	0	109.6	F283 L285 H320 V346 G347 L348	V266-F283 HydrophobicContact CG1-CE2 3.97Å; V266-F283 HydrophobicContact CG1-CZ 3.83Å; V266-F283 HydrophobicContact CG2-CE2 4.48Å; V266-L285 HydrophobicContact CB-CD1 4.46Å; V266-L285 HydrophobicContact CG1-CD1 4.04Å; V266-L285 HydrophobicContact CG2-CD2 4.45Å; V266-H320 HydrophobicContact CG1-CB 3.91Å; V266-H320 PolarHBondContact N-O 3.03Å; V266-H320 PolarHBondContact O-N 3.06Å; V266-V346 HydrophobicContact CG2-CG1 3.86Å; V266-G347 CarbonylContact C-O 3.55Å; V266-G347 WeakPolarHBondContact CA-O 3.29Å; V266-L348 HydrophobicContact CB-CD2 4.38Å; V266-L348 HydrophobicContact CG2-CD2 4.17Å
267	I	95.6	Very high	88	Confident	5 Å²	5	36.1 Å²	36.1	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.2	175.6	-48.1	168.7	0	0	0	108.4	I206 Y236 E317 R318 I319 V346 G347 L349	I206-I267 HydrophobicContact CD1-CD1 4.19Å; I206-I267 HydrophobicContact CG1-CD1 4.12Å; Y236-I267 HydrophobicContact CD2-CB 4.05Å; Y236-I267 HydrophobicContact CD2-CD1 4.37Å; Y236-I267 HydrophobicContact CD2-CG2 3.72Å; Y236-I267 HydrophobicContact CE2-CB 4.16Å; Y236-I267 HydrophobicContact CE2-CD1 4.15Å; Y236-I267 HydrophobicContact CE2-CG2 3.43Å; Y236-I267 VanDerWaalsContact CE2-CG2 3.43Å; I267-E317 HydrophobicContact CG2-CG 3.85Å; I267-R318 WeakPolarHBondContact CA-O 3.41Å; I267-I319 HydrophobicContact CG1-CG1 4.15Å; I267-I319 HydrophobicContact CG1-CG2 4.27Å; I267-I319 HydrophobicContact CG2-CG1 3.97Å; I267-V346 CarbonylContact O-C 3.54Å; I267-V346 VanDerWaalsContact O-CA 3.31Å; I267-V346 WeakPolarHBondContact O-CA 2.92Å; I267-G347 PolarHBondContact N-O 3.23Å; I267-G347 PolarHBondContact O-N 3.04Å; I267-L349 HydrophobicContact CD1-CD1 4.34Å; I267-L349 HydrophobicContact CD1-CD2 3.72Å; I267-L349 HydrophobicContact CD1-CG 4Å; I267-L349 HydrophobicContact CG1-CD1 4.2Å; I267-L349 HydrophobicContact CG1-CD2 4.33Å; I267-L349 HydrophobicContact CG1-CG 4.04Å
268	L	95.4	Very high	87.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.5	178.2	-164.9	73.5	0	0	0	110.1	V280 F283 N311 E317 R318 M344 V346	L268-V280 HydrophobicContact CD2-CB 4.2Å; L268-V280 HydrophobicContact CD2-CG1 4.43Å; L268-F283 HydrophobicContact CD2-CD1 3.81Å; L268-F283 HydrophobicContact CD2-CE1 3.84Å; L268-N311 VanDerWaalsContact CD2-OD1 3.28Å; L268-N311 WeakPolarHBondContact CD2-OD1 3.13Å; L268-N311 VanDerWaalsContact CG-OD1 3.24Å; L268-N311 WeakPolarHBondContact CG-OD1 3.43Å; L268-N311 PolarHBondContact O-ND2 3.24Å; L268-N311 PolarHBondContact O-OD1 2.93Å; L268-E317 WeakPolarHBondContact O-CA 3.31Å; L268-R318 PolarHBondContact N-O 3.18Å; L268-R318 PolarHBondContact O-N 3Å; L268-M344 HydrophobicContact CD1-CB 3.9Å; L268-M344 HydrophobicContact CD1-CG 4.38Å; L268-M344 HydrophobicContact CD1-SD 3.64Å; L268-V346 HydrophobicContact CD1-CG2 3.86Å
269	K	93.9	Very high	88.3	Confident	39 Å²	39	36.3 Å²	36.3	17%	0.17	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.3	171.2	-63.2	-177.6	79.6	132.5	0	111.2	Y236 T316 E317 R345	Y236-K269 HydrophobicContact CD2-CD 3.71Å; Y236-K269 HydrophobicContact CD2-CG 4.12Å; Y236-K269 HydrophobicContact CE2-CD 3.41Å; Y236-K269 VanDerWaalsContact CE2-CD 3.41Å; Y236-K269 HydrophobicContact CE2-CG 3.96Å; K269-T316 WeakPolarHBondContact CA-O 3.45Å; K269-E317 HydrophobicContact CD-CB 4.47Å; K269-E317 HydrophobicContact CD-CG 4.3Å; K269-E317 WeakPolarHBondContact CE-OE2 3.4Å; K269-E317 HydrophobicContact CG-CB 3.98Å; K269-E317 HydrophobicContact CG-CG 3.9Å; K269-E317 IonicContact NZ-OE2 3.04Å; K269-E317 PolarHBondContact NZ-OE2 2.69Å; K269-R345 HydrophobicContact CB-CB 4.14Å; K269-R345 PolarHBondContact N-O 3.19Å; K269-R345 PolarHBondContact O-N 3.38Å
270	S	91.9	Very high	89	Confident	11 Å²	11	35 Å²	35	8%	0.077	19%	0.187	C	C	.	.			trans	-62.6	172.1	169.5	63.2	0	0	0	0	111.9	T316 R345	S270-T316 PolarHBondContact N-O 3.14Å; S270-R345 PolarHBondContact O-NE 2.97Å; S270-R345 PolarHBondContact O-NH2 2.67Å
271	R	89.9	Confident	89.6	Confident	33 Å²	33	36.9 Å²	36.9	13%	0.125	20%	0.199	C	C	.	.			trans	-65.2	135.8	171.1	-178.8	169.2	-177.5	-170.1	-5.5	112	S228 C229 A241 D273 V274 Q278 A343	S228-R271 PolarHBondContact OG-NH2 3.17Å; C229-R271 PolarHBondContact SG-NH2 3.17Å; C229-R271 VanDerWaalsContact SG-NH2 3.43Å; A241-R271 HydrophobicContact CB-CB 4.03Å; A241-R271 HydrophobicContact CB-CG 3.8Å; R271-D273 WeakPolarHBondContact CD-OD1 3.5Å; R271-D273 WeakPolarHBondContact CG-OD1 3.44Å; R271-D273 IonicContact CZ-OD1 2.84Å; R271-D273 IonicContact CZ-OD2 3.63Å; R271-D273 IonicContact NE-OD1 2.65Å; R271-D273 PolarHBondContact NE-OD1 3.2Å; R271-D273 IonicContact NE-OD2 3.88Å; R271-D273 PolarHBondContact NE-OD2 2.99Å; R271-D273 IonicContact NH2-OD1 2.62Å; R271-D273 IonicContact NH2-OD2 2.74Å; R271-D273 PolarHBondContact NH2-OD2 3.12Å; R271-V274 HydrophobicContact CG-CG2 4.25Å; R271-V274 VanDerWaalsContact NE-CG2 3.29Å; R271-Q278 HydrophobicContact CB-CB 4.3Å; R271-Q278 PolarHBondContact N-O 3.09Å; R271-A343 HydrophobicContact CB-CB 3.95Å; R271-A343 HydrophobicContact CG-CB 4.44Å
272	G	85.3	Confident	89.9	Confident	38 Å²	38	42.3 Å²	42.3	39%	0.392	22%	0.219	S	C	.	.	S	Bend	trans	-95.1	-19.9	-171.5	0	0	0	0	0	117.2	N239	N239-G272 CarbonylContact O-C 3.1Å; N239-G272 VanDerWaalsContact O-CA 3.28Å; N239-G272 WeakPolarHBondContact O-CA 3.46Å
273	D	83.8	Confident	90.1	Very high	63 Å²	63	40 Å²	40	34%	0.337	21%	0.206	S	C	.	.	S	Bend	trans	-97.4	-2.1	-166.6	61.8	-59.4	0	0	0	115.1	S228 N239 R271	S228-D273 WeakPolarHBondContact CB-OD2 2.97Å; S228-D273 PolarHBondContact OG-OD2 3Å; N239-D273 PolarHBondContact O-N 3.13Å; N239-D273 VanDerWaalsContact O-N 3.16Å; R271-D273 WeakPolarHBondContact CD-OD1 3.5Å; R271-D273 WeakPolarHBondContact CG-OD1 3.44Å; R271-D273 IonicContact CZ-OD1 2.84Å; R271-D273 IonicContact CZ-OD2 3.63Å; R271-D273 IonicContact NE-OD1 2.65Å; R271-D273 PolarHBondContact NE-OD1 3.2Å; R271-D273 IonicContact NE-OD2 3.88Å; R271-D273 PolarHBondContact NE-OD2 2.99Å; R271-D273 IonicContact NH2-OD1 2.62Å; R271-D273 IonicContact NH2-OD2 2.74Å; R271-D273 PolarHBondContact NH2-OD2 3.12Å
274	V	76	Confident	90.2	Very high	59 Å²	59	42.8 Å²	42.8	36%	0.358	22%	0.219	S	C	.	.			trans	-122.6	143.4	-168.5	-166.1	0	0	0	0	111.6	R271 N276	R271-V274 HydrophobicContact CG-CG2 4.25Å; R271-V274 VanDerWaalsContact NE-CG2 3.29Å; V274-N276 VanDerWaalsContact C-N 3.31Å; V274-N276 HydrophobicContact CG1-CB 4.37Å; V274-N276 PolarHBondContact O-N 3.15Å
275	K	72.3	Confident	90.2	Very high	215 Å²	215	42.7 Å²	42.7	94%	0.935	22%	0.218	S	C	*	.	S	Bend	trans	-62.6	-34.6	172.3	-70.9	-173.3	176.6	-176.2	0	113.2
276	N	71.8	Confident	90.2	Very high	123 Å²	123	42.8 Å²	42.8	66%	0.658	22%	0.219	S	C	*	.	S	Bend	trans	-91.4	124.5	177.4	-67.3	-13.6	0	0	0	111	V274 Q278	V274-N276 VanDerWaalsContact C-N 3.31Å; V274-N276 HydrophobicContact CG1-CB 4.37Å; V274-N276 PolarHBondContact O-N 3.15Å; N276-Q278 PolarHBondContact O-N 3.03Å
277	S	83.8	Confident	90.1	Very high	51 Å²	51	45.6 Å²	45.6	36%	0.357	23%	0.23	S	C	.	.			trans	-73.8	113.7	-173	-164.6	0	0	0	0	112.3	Y279	S277-Y279 WeakPolarHBondContact OG-CD1 3.01Å; S277-Y279 WeakPolarHBondContact OG-CE1 3.14Å
278	Q	90.8	Very high	89.9	Confident	24 Å²	24	45.5 Å²	45.5	11%	0.112	23%	0.229	C	C	.	.			trans	-110.2	127.2	170.6	-67.9	175.2	-15	0	0	108.8	R271 N276 R341 A343	R271-Q278 HydrophobicContact CB-CB 4.3Å; R271-Q278 PolarHBondContact N-O 3.09Å; N276-Q278 PolarHBondContact O-N 3.03Å; Q278-R341 HydrophobicContact CG-CB 4.42Å; Q278-A343 HydrophobicContact CB-CB 3.94Å
279	Y	93.5	Very high	89.5	Confident	10 Å²	10	49 Å²	49	4%	0.039	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	158.4	-176.5	55.2	-95.1	0	0	0	112.8	S277 T281 N311 E313 W338 R339 A343	S277-Y279 WeakPolarHBondContact OG-CD1 3.01Å; S277-Y279 WeakPolarHBondContact OG-CE1 3.14Å; Y279-T281 HydrophobicContact CD2-CG2 3.79Å; Y279-T281 HydrophobicContact CE2-CG2 3.55Å; Y279-N311 HydrophobicContact CD2-CB 4.1Å; Y279-N311 VanDerWaalsContact CD2-O 3.31Å; Y279-N311 WeakPolarHBondContact CD2-O 3.15Å; Y279-N311 WeakPolarHBondContact CE2-O 3.42Å; Y279-N311 HydrophobicContact CG-CB 4.24Å; Y279-E313 WeakPolarHBondContact OH-CG 3.28Å; Y279-E313 PolarHBondContact OH-N 3.3Å; Y279-W338 WeakPolarHBondContact O-CA 3.44Å; Y279-W338 WeakPolarHBondContact O-CB 3.22Å; Y279-R339 HydrophobicContact CD2-CB 4.12Å; Y279-R339 HydrophobicContact CE1-CB 4.2Å; Y279-R339 HydrophobicContact CE1-CG 4.49Å; Y279-R339 HydrophobicContact CE2-CB 3.72Å; Y279-R339 PolarHBondContact O-N 3Å; Y279-R339 WeakPolarHBondContact OH-CD 3.11Å; Y279-R339 PolarHBondContact OH-NH1 2.96Å; Y279-A343 WeakPolarHBondContact CA-O 3.29Å
280	V	96.1	Very high	88.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.9	175.1	175.2	0	0	0	0	108.8	L268 R282 F283 G310 N311 P335 W338 I342 M344	L268-V280 HydrophobicContact CD2-CB 4.2Å; L268-V280 HydrophobicContact CD2-CG1 4.43Å; V280-R282 VanDerWaalsContact CG1-O 3.27Å; V280-R282 WeakPolarHBondContact CG1-O 3.41Å; V280-F283 HydrophobicContact CG1-CB 4.11Å; V280-G310 CarbonylContact O-C 3.53Å; V280-G310 WeakPolarHBondContact O-CA 3.37Å; V280-N311 PolarHBondContact O-N 2.93Å; V280-P335 HydrophobicContact CG1-CB 3.92Å; V280-P335 HydrophobicContact CG2-CB 3.93Å; V280-W338 HydrophobicContact CG2-CB 4.37Å; V280-I342 HydrophobicContact CG2-CG2 4.39Å; V280-M344 HydrophobicContact CG2-CB 4.15Å; V280-M344 HydrophobicContact CG2-CE 3.75Å; V280-M344 HydrophobicContact CG2-CG 4.37Å; V280-M344 HydrophobicContact CG2-SD 4.23Å
281	T	95.7	Very high	88.6	Confident	43 Å²	43	52 Å²	52	26%	0.264	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-22.8	-178.3	54.4	0	0	0	0	112.7	Y279 G310 I337	Y279-T281 HydrophobicContact CD2-CG2 3.79Å; Y279-T281 HydrophobicContact CE2-CG2 3.55Å; T281-G310 PolarHBondContact O-N 2.04Å; T281-I337 PolarHBondContact N-O 3.17Å; T281-I337 WeakPolarHBondContact OG1-CB 3.36Å; T281-I337 WeakPolarHBondContact OG1-CG2 3.41Å; T281-I337 PolarHBondContact OG1-O 2.63Å; T281-I337 VanDerWaalsContact OG1-O 3.07Å
282	R	96.9	Very high	88.3	Confident	118 Å²	118	58.4 Å²	58.4	45%	0.445	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	142.2	171.1	-67.8	-169	175.7	161.8	-4.9	111.1	V280 I307 F308 V336 I337	V280-R282 VanDerWaalsContact CG1-O 3.27Å; V280-R282 WeakPolarHBondContact CG1-O 3.41Å; R282-I307 HydrophobicContact CB-CG2 4.02Å; R282-I307 HydrophobicContact CG-CG2 4.3Å; R282-F308 VanDerWaalsContact CA-O 3.24Å; R282-F308 WeakPolarHBondContact CA-O 3.3Å; R282-V336 HydrophobicContact CB-CB 4.33Å; R282-V336 PolarHBondContact O-N 2.78Å; R282-I337 HydrophobicContact CB-CB 4.14Å; R282-I337 HydrophobicContact CB-CG1 4.18Å; R282-I337 HydrophobicContact CG-CD1 4.42Å; R282-I337 PolarHBondContact N-O 3.27Å; R282-I337 PolarHBondContact O-N 3.36Å
283	F	97	Very high	88.3	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	164.2	178.9	68.4	-82.9	0	0	0	112.6	V266 L268 V280 L285 F308 I333 H334	V266-F283 HydrophobicContact CG1-CE2 3.97Å; V266-F283 HydrophobicContact CG1-CZ 3.83Å; V266-F283 HydrophobicContact CG2-CE2 4.48Å; L268-F283 HydrophobicContact CD2-CD1 3.81Å; L268-F283 HydrophobicContact CD2-CE1 3.84Å; V280-F283 HydrophobicContact CG1-CB 4.11Å; F283-L285 HydrophobicContact CD2-CD2 4.06Å; F283-L285 HydrophobicContact CD2-CG 4.34Å; F283-L285 HydrophobicContact CE2-CD2 3.8Å; F283-L285 HydrophobicContact CE2-CG 4Å; F283-F308 HydrophobicContact CD1-CB 3.84Å; F283-F308 HydrophobicContact CD2-CB 4.1Å; F283-F308 HydrophobicContact CD2-CD2 4.17Å; F283-F308 HydrophobicContact CD2-CG 4.45Å; F283-F308 HydrophobicContact CE1-CB 3.39Å; F283-F308 HydrophobicContact CE1-CG 4.36Å; F283-F308 HydrophobicContact CE2-CB 3.68Å; F283-F308 AromaticContact CE2-CD2 3.8Å; F283-F308 HydrophobicContact CE2-CD2 3.8Å; F283-F308 AromaticContact CE2-CG 3.84Å; F283-F308 HydrophobicContact CE2-CG 3.84Å; F283-F308 HydrophobicContact CG-CB 4.18Å; F283-F308 HydrophobicContact CZ-CB 3.31Å; F283-F308 HydrophobicContact CZ-CD1 4.49Å; F283-F308 HydrophobicContact CZ-CD2 4.25Å; F283-F308 AromaticContact CZ-CG 3.79Å; F283-F308 HydrophobicContact CZ-CG 3.79Å; F283-F308 PolarHBondContact N-O 3.45Å; F283-F308 PolarHBondContact O-N 3.22Å; F283-I333 HydrophobicContact CB-CG2 4.23Å; F283-I333 HydrophobicContact CD2-CG2 3.8Å; F283-I333 HydrophobicContact CG-CG2 4.21Å; F283-H334 CarbonylContact C-O 3.58Å; F283-H334 WeakPolarHBondContact CA-O 3.38Å; F283-H334 WeakPolarHBondContact CB-O 2.71Å
284	K	96.4	Very high	88.7	Confident	60 Å²	60	58.8 Å²	58.8	26%	0.261	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	157.3	170.8	-67.8	174.6	178	-178.2	0	109.8	P305 I307 H334 V336	K284-P305 HydrophobicContact CD-CB 4.05Å; K284-I307 HydrophobicContact CG-CG1 4.22Å; K284-H334 HydrophobicContact CB-CB 4.26Å; K284-H334 PolarHBondContact N-O 3.46Å; K284-H334 PolarHBondContact O-N 2.92Å; K284-V336 HydrophobicContact CD-CG2 4.13Å; K284-V336 HydrophobicContact CG-CG2 3.89Å
285	L	96.1	Very high	89.4	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.2	175.3	-64.6	176.8	0	0	0	110.4	V266 F283 F296 Y297 F308 L322 R332 I333	V266-L285 HydrophobicContact CB-CD1 4.46Å; V266-L285 HydrophobicContact CG1-CD1 4.04Å; V266-L285 HydrophobicContact CG2-CD2 4.45Å; F283-L285 HydrophobicContact CD2-CD2 4.06Å; F283-L285 HydrophobicContact CD2-CG 4.34Å; F283-L285 HydrophobicContact CE2-CD2 3.8Å; F283-L285 HydrophobicContact CE2-CG 4Å; L285-F296 WeakPolarHBondContact O-CA 3.31Å; L285-F296 WeakPolarHBondContact O-CD1 3.37Å; L285-Y297 PolarHBondContact O-N 2.92Å; L285-F308 HydrophobicContact CB-CE2 4.21Å; L285-F308 HydrophobicContact CD1-CD2 4.28Å; L285-F308 HydrophobicContact CD1-CE2 3.59Å; L285-F308 HydrophobicContact CD1-CZ 3.82Å; L285-F308 HydrophobicContact CG-CD2 4.1Å; L285-F308 HydrophobicContact CG-CE2 3.7Å; L285-F308 HydrophobicContact CG-CZ 4.43Å; L285-L322 HydrophobicContact CD1-CD2 4.01Å; L285-R332 WeakPolarHBondContact CA-O 3.18Å; L285-I333 HydrophobicContact CD2-CB 4.5Å; L285-I333 HydrophobicContact CD2-CG1 3.83Å
286	S	95.9	Very high	90.5	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.9	164.3	70.6	0	0	0	0	110.9	Y295 V331 R332 H334	S286-Y295 CarbonylContact C-O 3.6Å; S286-Y295 WeakPolarHBondContact CA-O 3.46Å; S286-Y295 VanDerWaalsContact CB-O 3.3Å; S286-Y295 WeakPolarHBondContact CB-O 3.37Å; S286-V331 CarbonylContact O-C 3.54Å; S286-R332 PolarHBondContact N-O 3.29Å; S286-R332 PolarHBondContact O-N 3.2Å; S286-R332 WeakPolarHBondContact OG-CB 3.27Å; S286-H334 PolarHBondContact OG-NE2 3.13Å
287	Y	94.8	Very high	91.6	Very high	61 Å²	61	49 Å²	49	24%	0.239	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.4	-177.1	62.3	-88.8	0	0	0	112.3	W294 Y295 F326 A328 Y330	Y287-W294 WeakPolarHBondContact O-CA 3.17Å; Y287-Y295 WeakPolarHBondContact CD1-O 3.49Å; Y287-Y295 HydrophobicContact CE2-CD2 4.22Å; Y287-Y295 HydrophobicContact CE2-CG 4.41Å; Y287-Y295 PolarHBondContact N-O 3.33Å; Y287-Y295 PolarHBondContact O-N 3.08Å; Y287-F326 HydrophobicContact CD1-CD1 4.35Å; Y287-F326 AromaticContact CD1-CD2 3.82Å; Y287-F326 HydrophobicContact CD1-CD2 3.82Å; Y287-F326 HydrophobicContact CD1-CE1 4.26Å; Y287-F326 AromaticContact CD1-CE2 3.77Å; Y287-F326 HydrophobicContact CD1-CE2 3.77Å; Y287-F326 HydrophobicContact CD1-CG 4.13Å; Y287-F326 AromaticContact CD1-CZ 3.99Å; Y287-F326 HydrophobicContact CD1-CZ 3.99Å; Y287-F326 AromaticContact CD2-CD2 3.89Å; Y287-F326 HydrophobicContact CD2-CD2 3.89Å; Y287-F326 HydrophobicContact CD2-CE2 4.26Å; Y287-F326 HydrophobicContact CE1-CD1 4.46Å; Y287-F326 HydrophobicContact CE1-CD2 4.32Å; Y287-F326 HydrophobicContact CE1-CG 4.23Å; Y287-F326 HydrophobicContact CE2-CD2 4.38Å; Y287-F326 AromaticContact CG-CD2 3.59Å; Y287-F326 HydrophobicContact CG-CD2 3.59Å; Y287-F326 AromaticContact CG-CE2 3.55Å; Y287-F326 HydrophobicContact CG-CE2 3.55Å; Y287-F326 HydrophobicContact CG-CG 4.31Å; Y287-F326 HydrophobicContact CG-CZ 4.2Å; Y287-A328 HydrophobicContact CD2-CB 4.27Å; Y287-A328 HydrophobicContact CG-CB 4.37Å; Y287-Y330 CarbonylContact C-O 3.59Å; Y287-Y330 VanDerWaalsContact CA-O 3.25Å; Y287-Y330 WeakPolarHBondContact CA-O 3.33Å
288	S	90.2	Very high	91.9	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	153.1	-178.9	-179	0	0	0	0	110.7	D290 T291 L293 R329 Y330	S288-D290 PolarHBondContact OG-N 3.42Å; S288-D290 PolarHBondContact OG-OD1 3.4Å; S288-T291 WeakPolarHBondContact OG-CA 3.1Å; S288-T291 PolarHBondContact OG-N 2.84Å; S288-L293 WeakPolarHBondContact CB-O 3.49Å; S288-L293 PolarHBondContact OG-O 2.83Å; S288-R329 PolarHBondContact O-N 3.38Å; S288-Y330 PolarHBondContact N-O 3.2Å; S288-Y330 WeakPolarHBondContact O-CB 3.3Å; S288-Y330 PolarHBondContact O-N 3.23Å
289	N	87	Confident	91.4	Very high	73 Å²	73	51.1 Å²	51.1	39%	0.39	23%	0.229	S	C	.	.	S	Bend	trans	-103.8	-17.8	170.9	-75.5	-30.8	0	0	0	113	A328 R329	N289-A328 VanDerWaalsContact OD1-CA 3.26Å; N289-A328 WeakPolarHBondContact OD1-CA 2.94Å; N289-R329 PolarHBondContact OD1-N 3.26Å; N289-R329 VanDerWaalsContact OD1-N 3.08Å
290	D	82.4	Confident	90.2	Very high	51 Å²	51	55.6 Å²	55.6	27%	0.273	27%	0.268	S	S	.	.	S	Bend	trans	-130.6	6.9	-170.1	70.6	-5.2	0	0	0	114.4	S288 R292 L293	S288-D290 PolarHBondContact OG-N 3.42Å; S288-D290 PolarHBondContact OG-OD1 3.4Å; D290-R292 PolarHBondContact O-N 2.99Å; D290-R292 PolarHBondContact OD1-N 3.28Å; D290-L293 PolarHBondContact OD1-N 3.18Å
291	T	85.3	Confident	88.8	Confident	64 Å²	64	60.2 Å²	60.2	39%	0.393	31%	0.306	S	S	.	.	S	Bend	trans	62.5	-7.4	-174.3	68.1	0	0	0	0	116.5	S288 W294 Y330	S288-T291 WeakPolarHBondContact OG-CA 3.1Å; S288-T291 PolarHBondContact OG-N 2.84Å; T291-W294 PolarHBondContact O-NE1 3.4Å; T291-Y330 HydrophobicContact CG2-CD1 3.84Å; T291-Y330 HydrophobicContact CG2-CD2 3.62Å; T291-Y330 HydrophobicContact CG2-CE1 3.52Å; T291-Y330 HydrophobicContact CG2-CE2 3.31Å; T291-Y330 HydrophobicContact CG2-CG 3.88Å
292	R	82.4	Confident	87.6	Confident	166 Å²	166	61.1 Å²	61.1	63%	0.626	31%	0.312	S	S	*	.	S	Bend	trans	-95.6	-51	-176.1	-63.8	-179.3	-176	-173	1	110.3	D290	D290-R292 PolarHBondContact O-N 2.99Å; D290-R292 PolarHBondContact OD1-N 3.28Å
293	L	86	Confident	86.5	Confident	53 Å²	53	62.6 Å²	62.6	28%	0.277	33%	0.328	S	S	.	.	S	Bend	trans	-97.8	124.5	179	-70.4	167	0	0	0	109.9	S288 D290 Y295 H643	S288-L293 WeakPolarHBondContact CB-O 3.49Å; S288-L293 PolarHBondContact OG-O 2.83Å; D290-L293 PolarHBondContact OD1-N 3.18Å; L293-Y295 HydrophobicContact CB-CE2 4.37Å; L293-H643 HydrophobicContact CD1-CB 3.85Å
294	W	92	Very high	85.8	Confident	56 Å²	56	68.4 Å²	68.4	21%	0.212	36%	0.359	C	S	.	.			trans	-119	132.4	-179.6	-70	84.8	0	0	0	110.5	Q254 Y287 T291 R332	Q254-W294 HydrophobicContact CG-CH2 4.15Å; Y287-W294 WeakPolarHBondContact O-CA 3.17Å; T291-W294 PolarHBondContact O-NE1 3.4Å; W294-R332 VanDerWaalsContact CE2-CZ 3.4Å; W294-R332 HydrophobicContact CE3-CB 4.34Å; W294-R332 HydrophobicContact CE3-CG 4.24Å; W294-R332 HydrophobicContact CH2-CB 4.3Å; W294-R332 VanDerWaalsContact CH2-CD 3.47Å; W294-R332 HydrophobicContact CH2-CG 3.51Å; W294-R332 VanDerWaalsContact CH2-NE 3.34Å; W294-R332 HydrophobicContact CZ2-CG 4.31Å; W294-R332 HydrophobicContact CZ3-CB 3.76Å; W294-R332 HydrophobicContact CZ3-CG 3.48Å; W294-R332 VanDerWaalsContact CZ3-CG 3.48Å
295	Y	91.9	Very high	85.5	Confident	101 Å²	101	67.1 Å²	67.1	40%	0.396	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.1	176	-58.8	-83.9	0	0	0	109.2	S286 Y287 L293	S286-Y295 CarbonylContact C-O 3.6Å; S286-Y295 WeakPolarHBondContact CA-O 3.46Å; S286-Y295 VanDerWaalsContact CB-O 3.3Å; S286-Y295 WeakPolarHBondContact CB-O 3.37Å; Y287-Y295 WeakPolarHBondContact CD1-O 3.49Å; Y287-Y295 HydrophobicContact CE2-CD2 4.22Å; Y287-Y295 HydrophobicContact CE2-CG 4.41Å; Y287-Y295 PolarHBondContact N-O 3.33Å; Y287-Y295 PolarHBondContact O-N 3.08Å; L293-Y295 HydrophobicContact CB-CE2 4.37Å
296	F	94.2	Very high	85.4	Confident	86 Å²	86	72.6 Å²	72.6	38%	0.377	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	139.2	169.2	-76.7	-79.5	0	0	0	110.1	L285 P305 H334	L285-F296 WeakPolarHBondContact O-CA 3.31Å; L285-F296 WeakPolarHBondContact O-CD1 3.37Å; F296-P305 HydrophobicContact CB-CB 3.91Å; F296-P305 HydrophobicContact CB-CG 3.82Å; F296-P305 HydrophobicContact CD1-CB 4.34Å; F296-P305 HydrophobicContact CD1-CG 4.47Å; F296-P305 HydrophobicContact CD2-CG 4.49Å; F296-P305 HydrophobicContact CG-CB 4.25Å; F296-P305 HydrophobicContact CG-CG 4.02Å; F296-H334 AromaticContact CE1-CD2 3.89Å; F296-H334 AromaticContact CE1-NE2 3.92Å
297	Y	94.4	Very high	85.3	Confident	6 Å²	6	76.2 Å²	76.2	2%	0.024	40%	0.396	C	S	.	.			trans	-67.6	135.7	172.6	178	-93.2	0	0	0	110.2	L285 D299 P305 R306 F308 L322 A323 T324 F326	L285-Y297 PolarHBondContact O-N 2.92Å; Y297-D299 WeakPolarHBondContact CE1-OD1 3.5Å; Y297-D299 PolarHBondContact OH-OD1 2.91Å; Y297-P305 WeakPolarHBondContact O-CA 3.24Å; Y297-R306 HydrophobicContact CD1-CB 3.9Å; Y297-R306 HydrophobicContact CD1-CG 4.46Å; Y297-R306 HydrophobicContact CE1-CB 4.08Å; Y297-R306 HydrophobicContact CE1-CG 4.31Å; Y297-R306 PolarHBondContact O-N 2.78Å; Y297-F308 AromaticContact CD1-CE2 3.91Å; Y297-F308 HydrophobicContact CD1-CE2 3.91Å; Y297-F308 AromaticContact CD1-CZ 3.54Å; Y297-F308 HydrophobicContact CD1-CZ 3.54Å; Y297-F308 HydrophobicContact CE1-CE2 4.48Å; Y297-F308 AromaticContact CE1-CZ 3.7Å; Y297-F308 HydrophobicContact CE1-CZ 3.7Å; Y297-L322 HydrophobicContact CD1-CD2 4.34Å; Y297-L322 HydrophobicContact CD2-CD2 4.45Å; Y297-L322 HydrophobicContact CE1-CD2 4.04Å; Y297-L322 HydrophobicContact CE2-CB 4.36Å; Y297-L322 HydrophobicContact CE2-CD2 4.13Å; Y297-A323 PolarHBondContact OH-N 3.03Å; Y297-T324 WeakPolarHBondContact CE2-O 3.26Å; Y297-T324 PolarHBondContact OH-N 3.26Å; Y297-T324 PolarHBondContact OH-OG1 2.83Å; Y297-F326 AromaticContact CD2-CD1 3.63Å; Y297-F326 HydrophobicContact CD2-CD1 3.63Å; Y297-F326 AromaticContact CD2-CE1 3.72Å; Y297-F326 HydrophobicContact CD2-CE1 3.72Å; Y297-F326 HydrophobicContact CE2-CD1 4.08Å; Y297-F326 HydrophobicContact CE2-CE1 4.39Å; Y297-F326 HydrophobicContact CG-CE1 4.41Å
298	K	90.2	Very high	85.3	Confident	97 Å²	97	73.8 Å²	73.8	42%	0.422	39%	0.386	S	S	.	.			trans	-136.4	145	-178.9	-57.9	179.3	-175.9	-164.4	0	108	L303	K298-L303 WeakPolarHBondContact CD-O 3.45Å; K298-L303 WeakPolarHBondContact CE-O 3.25Å; K298-L303 PolarHBondContact NZ-O 3.33Å
299	D	80.3	Confident	85.5	Confident	22 Å²	22	78.7 Å²	78.7	12%	0.118	41%	0.409	C	S	.	.			trans	-83.5	163.5	168.3	-61.9	-48.2	0	0	0	110.1	Y297 A301 P302 R306	Y297-D299 WeakPolarHBondContact CE1-OD1 3.5Å; Y297-D299 PolarHBondContact OH-OD1 2.91Å; D299-A301 PolarHBondContact O-N 3.2Å; D299-P302 HydrophobicContact CB-CG 4.42Å; D299-P302 WeakPolarHBondContact O-CD 3.26Å; D299-R306 WeakPolarHBondContact OD2-CD 3.27Å; D299-R306 WeakPolarHBondContact OD2-CG 3.46Å; D299-R306 IonicContact OD2-CZ 3.61Å; D299-R306 VanDerWaalsContact OD2-CZ 3.3Å; D299-R306 IonicContact OD2-NE 3.95Å; D299-R306 PolarHBondContact OD2-NE 2.76Å; D299-R306 IonicContact OD2-NH1 2.66Å; D299-R306 PolarHBondContact OD2-NH1 3.24Å
300	A	68.8	Low	85.8	Confident	104 Å²	104	75.5 Å²	75.5	86%	0.86	39%	0.394	S	S	*	.	S	Bend	trans	-57.4	-23.8	-169.2	0	0	0	0	0	115.4
301	A	67.2	Low	86.3	Confident	97 Å²	97	73.2 Å²	73.2	80%	0.802	38%	0.382	S	S	*	.	S	Bend	trans	-97	-50.9	-175.6	0	0	0	0	0	114.8	D299	D299-A301 PolarHBondContact O-N 3.2Å
302	P	70.4	Confident	86.5	Confident	62 Å²	62	73.2 Å²	73.2	40%	0.403	38%	0.379	S	S	.	.			trans	-81.8	138.2	-177.2	29	-32.6	0	0	0	113.3	D299 D304	D299-P302 HydrophobicContact CB-CG 4.42Å; D299-P302 WeakPolarHBondContact O-CD 3.26Å; P302-D304 PolarHBondContact O-N 3Å
303	L	72.7	Confident	86.8	Confident	149 Å²	149	71.4 Å²	71.4	78%	0.78	38%	0.378	S	S	*	.	S	Bend	trans	-68.3	-21.7	170.2	-73.7	169.3	0	0	0	112.6	K298	K298-L303 WeakPolarHBondContact CD-O 3.45Å; K298-L303 WeakPolarHBondContact CE-O 3.25Å; K298-L303 PolarHBondContact NZ-O 3.33Å
304	D	84.1	Confident	86.8	Confident	122 Å²	122	77.4 Å²	77.4	65%	0.652	41%	0.405	S	S	*	.	S	Bend	trans	-81.2	148.4	-178.3	-69.6	-41	0	0	0	112.6	P302 R306	P302-D304 PolarHBondContact O-N 3Å; D304-R306 PolarHBondContact O-N 3.12Å
305	P	89.3	Confident	86.6	Confident	32 Å²	32	77.5 Å²	77.5	21%	0.208	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-54.1	131.7	172	-26.4	35.7	0	0	0	112.2	K284 F296 Y297 I307	K284-P305 HydrophobicContact CD-CB 4.05Å; F296-P305 HydrophobicContact CB-CB 3.91Å; F296-P305 HydrophobicContact CB-CG 3.82Å; F296-P305 HydrophobicContact CD1-CB 4.34Å; F296-P305 HydrophobicContact CD1-CG 4.47Å; F296-P305 HydrophobicContact CD2-CG 4.49Å; F296-P305 HydrophobicContact CG-CB 4.25Å; F296-P305 HydrophobicContact CG-CG 4.02Å; Y297-P305 WeakPolarHBondContact O-CA 3.24Å; P305-I307 PolarHBondContact O-N 3.27Å
306	R	92.9	Very high	86.4	Confident	119 Å²	119	76.4 Å²	76.4	45%	0.449	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-63.5	129.4	176.5	177.4	57.3	174	-118.9	4.4	110	Y297 D299 D304 F308	Y297-R306 HydrophobicContact CD1-CB 3.9Å; Y297-R306 HydrophobicContact CD1-CG 4.46Å; Y297-R306 HydrophobicContact CE1-CB 4.08Å; Y297-R306 HydrophobicContact CE1-CG 4.31Å; Y297-R306 PolarHBondContact O-N 2.78Å; D299-R306 WeakPolarHBondContact OD2-CD 3.27Å; D299-R306 WeakPolarHBondContact OD2-CG 3.46Å; D299-R306 IonicContact OD2-CZ 3.61Å; D299-R306 VanDerWaalsContact OD2-CZ 3.3Å; D299-R306 IonicContact OD2-NE 3.95Å; D299-R306 PolarHBondContact OD2-NE 2.76Å; D299-R306 IonicContact OD2-NH1 2.66Å; D299-R306 PolarHBondContact OD2-NH1 3.24Å; D304-R306 PolarHBondContact O-N 3.12Å; R306-F308 HydrophobicContact CB-CE2 4.25Å; R306-F308 HydrophobicContact CB-CZ 4.36Å; R306-F308 HydrophobicContact CG-CD2 4.42Å; R306-F308 HydrophobicContact CG-CE1 4.1Å; R306-F308 HydrophobicContact CG-CE2 4Å; R306-F308 HydrophobicContact CG-CZ 3.84Å
307	I	94.2	Very high	86.3	Confident	78 Å²	78	75 Å²	75	40%	0.4	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-95.3	124	171.7	-59	176.4	0	0	0	108.1	R282 K284 P305	R282-I307 HydrophobicContact CB-CG2 4.02Å; R282-I307 HydrophobicContact CG-CG2 4.3Å; K284-I307 HydrophobicContact CG-CG1 4.22Å; P305-I307 PolarHBondContact O-N 3.27Å
308	F	95.4	Very high	86.2	Confident	9 Å²	9	77.8 Å²	77.8	4%	0.039	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	142.4	177.1	-63.7	-86.8	0	0	0	110.4	R282 F283 L285 Y297 R306 H320 L322	R282-F308 VanDerWaalsContact CA-O 3.24Å; R282-F308 WeakPolarHBondContact CA-O 3.3Å; F283-F308 HydrophobicContact CD1-CB 3.84Å; F283-F308 HydrophobicContact CD2-CB 4.1Å; F283-F308 HydrophobicContact CD2-CD2 4.17Å; F283-F308 HydrophobicContact CD2-CG 4.45Å; F283-F308 HydrophobicContact CE1-CB 3.39Å; F283-F308 HydrophobicContact CE1-CG 4.36Å; F283-F308 HydrophobicContact CE2-CB 3.68Å; F283-F308 AromaticContact CE2-CD2 3.8Å; F283-F308 HydrophobicContact CE2-CD2 3.8Å; F283-F308 AromaticContact CE2-CG 3.84Å; F283-F308 HydrophobicContact CE2-CG 3.84Å; F283-F308 HydrophobicContact CG-CB 4.18Å; F283-F308 HydrophobicContact CZ-CB 3.31Å; F283-F308 HydrophobicContact CZ-CD1 4.49Å; F283-F308 HydrophobicContact CZ-CD2 4.25Å; F283-F308 AromaticContact CZ-CG 3.79Å; F283-F308 HydrophobicContact CZ-CG 3.79Å; F283-F308 PolarHBondContact N-O 3.45Å; F283-F308 PolarHBondContact O-N 3.22Å; L285-F308 HydrophobicContact CB-CE2 4.21Å; L285-F308 HydrophobicContact CD1-CD2 4.28Å; L285-F308 HydrophobicContact CD1-CE2 3.59Å; L285-F308 HydrophobicContact CD1-CZ 3.82Å; L285-F308 HydrophobicContact CG-CD2 4.1Å; L285-F308 HydrophobicContact CG-CE2 3.7Å; L285-F308 HydrophobicContact CG-CZ 4.43Å; Y297-F308 AromaticContact CD1-CE2 3.91Å; Y297-F308 HydrophobicContact CD1-CE2 3.91Å; Y297-F308 AromaticContact CD1-CZ 3.54Å; Y297-F308 HydrophobicContact CD1-CZ 3.54Å; Y297-F308 HydrophobicContact CE1-CE2 4.48Å; Y297-F308 AromaticContact CE1-CZ 3.7Å; Y297-F308 HydrophobicContact CE1-CZ 3.7Å; R306-F308 HydrophobicContact CB-CE2 4.25Å; R306-F308 HydrophobicContact CB-CZ 4.36Å; R306-F308 HydrophobicContact CG-CD2 4.42Å; R306-F308 HydrophobicContact CG-CE1 4.1Å; R306-F308 HydrophobicContact CG-CE2 4Å; R306-F308 HydrophobicContact CG-CZ 3.84Å; F308-H320 HydrophobicContact CD1-CB 3.96Å; F308-H320 AromaticContact CD1-CG 3.73Å; F308-H320 AromaticContact CD1-ND1 3.82Å; F308-H320 HydrophobicContact CE1-CB 4.24Å; F308-L322 HydrophobicContact CE1-CD2 4.02Å; F308-L322 HydrophobicContact CZ-CD2 3.72Å
309	E	95.2	Very high	86.5	Confident	105 Å²	105	75.1 Å²	75.1	49%	0.491	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.2	169.4	-65.8	-169.9	155.4	0	0	110.3	R318 H320	E309-R318 IonicContact OE2-NH2 3.57Å; E309-R318 PolarHBondContact OE2-NH2 2.96Å; E309-H320 PolarHBondContact O-NE2 3.31Å
310	G	92.3	Very high	87.2	Confident	7 Å²	7	75.7 Å²	75.7	7%	0.072	41%	0.409	C	S	.	.			trans	-89.7	-148.8	176.9	0	0	0	0	0	112.4	V280 T281	V280-G310 CarbonylContact O-C 3.53Å; V280-G310 WeakPolarHBondContact O-CA 3.37Å; T281-G310 PolarHBondContact O-N 2.04Å
311	N	92.9	Very high	88.4	Confident	3 Å²	3	71.9 Å²	71.9	2%	0.016	37%	0.373	C	S	.	.			trans	-80	160.6	179.3	-56.1	95	0	0	0	111.3	L268 Y279 V280 I315 T316 E317	L268-N311 VanDerWaalsContact CD2-OD1 3.28Å; L268-N311 WeakPolarHBondContact CD2-OD1 3.13Å; L268-N311 VanDerWaalsContact CG-OD1 3.24Å; L268-N311 WeakPolarHBondContact CG-OD1 3.43Å; L268-N311 PolarHBondContact O-ND2 3.24Å; L268-N311 PolarHBondContact O-OD1 2.93Å; Y279-N311 HydrophobicContact CD2-CB 4.1Å; Y279-N311 VanDerWaalsContact CD2-O 3.31Å; Y279-N311 WeakPolarHBondContact CD2-O 3.15Å; Y279-N311 WeakPolarHBondContact CE2-O 3.42Å; Y279-N311 HydrophobicContact CG-CB 4.24Å; V280-N311 PolarHBondContact O-N 2.93Å; N311-I315 WeakPolarHBondContact CB-O 3.08Å; N311-I315 PolarHBondContact ND2-O 3.13Å; N311-T316 PolarHBondContact ND2-O 2.93Å; N311-E317 PolarHBondContact ND2-N 2.83Å
312	N	90.8	Very high	89.6	Confident	64 Å²	64	67.6 Å²	67.6	34%	0.342	34%	0.336	S	S	.	.			trans	-133.3	-172.1	168.4	67	29.4	0	0	0	109.3	Q314 I315	N312-Q314 VanDerWaalsContact C-N 3.33Å; N312-Q314 PolarHBondContact O-N 2.77Å; N312-Q314 PolarHBondContact OD1-N 2.91Å; N312-I315 PolarHBondContact N-O 2.72Å; N312-I315 WeakPolarHBondContact OD1-CA 3.38Å; N312-I315 VanDerWaalsContact OD1-CB 3.29Å; N312-I315 WeakPolarHBondContact OD1-CB 3.44Å; N312-I315 WeakPolarHBondContact OD1-CG1 3.09Å; N312-I315 PolarHBondContact OD1-N 2.86Å
313	E	87.1	Confident	90.5	Very high	127 Å²	127	68 Å²	68	59%	0.593	35%	0.345	S	S	*	.	S	Bend	trans	-65.1	-35.3	-179.3	-63.1	-170.6	154.9	0	0	113.7	Y279 R339	Y279-E313 WeakPolarHBondContact OH-CG 3.28Å; Y279-E313 PolarHBondContact OH-N 3.3Å; E313-R339 IonicContact OE1-CZ 3.59Å; E313-R339 IonicContact OE1-NE 3.78Å; E313-R339 IonicContact OE1-NH1 2.72Å; E313-R339 PolarHBondContact OE1-NH1 2.58Å; E313-R339 IonicContact OE1-NH2 3.66Å; E313-R339 PolarHBondContact OE1-NH2 3.23Å
314	Q	86.7	Confident	91.3	Very high	180 Å²	180	64 Å²	64	84%	0.841	33%	0.327	S	S	*	.	S	Bend	trans	-85.6	-31.2	-176.5	-64.1	173.5	-10.3	0	0	111.8	N312	N312-Q314 VanDerWaalsContact C-N 3.33Å; N312-Q314 PolarHBondContact O-N 2.77Å; N312-Q314 PolarHBondContact OD1-N 2.91Å
315	I	87.2	Confident	91.7	Very high	57 Å²	57	61.3 Å²	61.3	29%	0.292	32%	0.316	S	S	.	.			trans	-113.8	92.6	-171.9	-54.6	176.6	0	0	0	108.7	N311 N312 E317	N311-I315 WeakPolarHBondContact CB-O 3.08Å; N311-I315 PolarHBondContact ND2-O 3.13Å; N312-I315 PolarHBondContact N-O 2.72Å; N312-I315 WeakPolarHBondContact OD1-CA 3.38Å; N312-I315 VanDerWaalsContact OD1-CB 3.29Å; N312-I315 WeakPolarHBondContact OD1-CB 3.44Å; N312-I315 WeakPolarHBondContact OD1-CG1 3.09Å; N312-I315 PolarHBondContact OD1-N 2.86Å; I315-E317 VanDerWaalsContact C-N 3.3Å; I315-E317 WeakPolarHBondContact CG2-O 3.37Å
316	T	88	Confident	91.8	Very high	79 Å²	79	60.7 Å²	60.7	49%	0.485	31%	0.31	S	S	.	.	S	Bend	trans	-78.4	-14.2	-179.4	58.9	0	0	0	0	113.7	K269 S270 N311	K269-T316 WeakPolarHBondContact CA-O 3.45Å; S270-T316 PolarHBondContact N-O 3.14Å; N311-T316 PolarHBondContact ND2-O 2.93Å
317	E	91.7	Very high	91.7	Very high	57 Å²	57	58.1 Å²	58.1	27%	0.266	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	123.4	177.6	179.9	167.2	169	0	0	110	Y236 I267 L268 K269 N311 I315	Y236-E317 HydrophobicContact CE2-CG 4.45Å; Y236-E317 VanDerWaalsContact CE2-OE1 3.29Å; Y236-E317 WeakPolarHBondContact CE2-OE1 3.42Å; Y236-E317 VanDerWaalsContact OH-CD 3.26Å; Y236-E317 PolarHBondContact OH-OE1 2.92Å; Y236-E317 PolarHBondContact OH-OE2 2.85Å; I267-E317 HydrophobicContact CG2-CG 3.85Å; L268-E317 WeakPolarHBondContact O-CA 3.31Å; K269-E317 HydrophobicContact CD-CB 4.47Å; K269-E317 HydrophobicContact CD-CG 4.3Å; K269-E317 WeakPolarHBondContact CE-OE2 3.4Å; K269-E317 HydrophobicContact CG-CB 3.98Å; K269-E317 HydrophobicContact CG-CG 3.9Å; K269-E317 IonicContact NZ-OE2 3.04Å; K269-E317 PolarHBondContact NZ-OE2 2.69Å; N311-E317 PolarHBondContact ND2-N 2.83Å; I315-E317 VanDerWaalsContact C-N 3.3Å; I315-E317 WeakPolarHBondContact CG2-O 3.37Å
318	R	93.8	Very high	91.6	Very high	64 Å²	64	54.4 Å²	54.4	24%	0.242	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.2	-179.5	-163.9	71.1	160.9	153.7	-3.9	109	I267 L268 E309	I267-R318 WeakPolarHBondContact CA-O 3.41Å; L268-R318 PolarHBondContact N-O 3.18Å; L268-R318 PolarHBondContact O-N 3Å; E309-R318 IonicContact OE2-NH2 3.57Å; E309-R318 PolarHBondContact OE2-NH2 2.96Å
319	I	94.6	Very high	91.3	Very high	40 Å²	40	56.4 Å²	56.4	21%	0.205	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.9	178.5	-53.5	177.9	0	0	0	108	W63 I267 Y321 L349	W63-I319 HydrophobicContact CZ2-CB 4.46Å; I267-I319 HydrophobicContact CG1-CG1 4.15Å; I267-I319 HydrophobicContact CG1-CG2 4.27Å; I267-I319 HydrophobicContact CG2-CG1 3.97Å; I319-Y321 HydrophobicContact CG2-CE1 4.14Å; I319-Y321 HydrophobicContact CG2-CE2 4.2Å; I319-L349 HydrophobicContact CG2-CD1 3.95Å
320	H	95.1	Very high	91.3	Very high	34 Å²	34	52.7 Å²	52.7	16%	0.157	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	117.6	170.6	-72.4	-81.2	0	0	0	109.6	G265 V266 F308 E309	G265-H320 CarbonylContact C-O 2.7Å; G265-H320 WeakPolarHBondContact CA-O 3.47Å; V266-H320 HydrophobicContact CG1-CB 3.91Å; V266-H320 PolarHBondContact N-O 3.03Å; V266-H320 PolarHBondContact O-N 3.06Å; F308-H320 HydrophobicContact CD1-CB 3.96Å; F308-H320 AromaticContact CD1-CG 3.73Å; F308-H320 AromaticContact CD1-ND1 3.82Å; F308-H320 HydrophobicContact CE1-CB 4.24Å; E309-H320 PolarHBondContact O-NE2 3.31Å
321	Y	94.7	Very high	91.5	Very high	25 Å²	25	52.3 Å²	52.3	10%	0.098	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.9	166.4	-56.7	-71.3	0	0	0	109	W63 G110 V111 K204 I319 L349	W63-Y321 AromaticContact CH2-CD2 3.79Å; W63-Y321 HydrophobicContact CH2-CD2 3.79Å; W63-Y321 AromaticContact CH2-CE2 3.56Å; W63-Y321 HydrophobicContact CH2-CE2 3.56Å; W63-Y321 AromaticContact CZ2-CE2 3.93Å; W63-Y321 HydrophobicContact CZ2-CE2 3.93Å; G110-Y321 VanDerWaalsContact CA-CE2 3.45Å; G110-Y321 VanDerWaalsContact CA-CG 3.5Å; G110-Y321 VanDerWaalsContact O-CB 3.29Å; G110-Y321 WeakPolarHBondContact O-CB 3.49Å; V111-Y321 HydrophobicContact CG2-CD1 3.87Å; V111-Y321 HydrophobicContact CG2-CE1 4.18Å; K204-Y321 VanDerWaalsContact CE-OH 3.27Å; K204-Y321 WeakPolarHBondContact CE-OH 3.34Å; K204-Y321 HydrophobicContact CG-CE1 4.37Å; I319-Y321 HydrophobicContact CG2-CE1 4.14Å; I319-Y321 HydrophobicContact CG2-CE2 4.2Å; Y321-L349 HydrophobicContact CD1-CD1 4.18Å; Y321-L349 HydrophobicContact CE1-CD1 3.73Å
322	L	93	Very high	91.7	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.9	-178.7	-60.5	171.9	0	0	0	109.4	I263 T264 L285 Y297 F308 T324 F326	I263-L322 HydrophobicContact CG2-CD1 4.06Å; T264-L322 PolarHBondContact O-N 2.79Å; L285-L322 HydrophobicContact CD1-CD2 4.01Å; Y297-L322 HydrophobicContact CD1-CD2 4.34Å; Y297-L322 HydrophobicContact CD2-CD2 4.45Å; Y297-L322 HydrophobicContact CE1-CD2 4.04Å; Y297-L322 HydrophobicContact CE2-CB 4.36Å; Y297-L322 HydrophobicContact CE2-CD2 4.13Å; F308-L322 HydrophobicContact CE1-CD2 4.02Å; F308-L322 HydrophobicContact CZ-CD2 3.72Å; L322-T324 VanDerWaalsContact C-N 3.26Å; L322-T324 PolarHBondContact O-N 2.77Å; L322-F326 HydrophobicContact CD1-CD1 3.82Å; L322-F326 HydrophobicContact CD1-CE1 3.4Å; L322-F326 VanDerWaalsContact CD1-CE1 3.4Å; L322-F326 HydrophobicContact CD1-CZ 4.29Å
323	A	88.9	Confident	92	Very high	70 Å²	70	51.3 Å²	51.3	58%	0.579	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	-36.2	175.2	0	0	0	0	0	111.2	Y297	Y297-A323 PolarHBondContact OH-N 3.03Å
324	T	89.4	Confident	92.5	Very high	66 Å²	66	46.4 Å²	46.4	41%	0.405	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	98.7	174.6	52.6	0	0	0	0	109.5	Y297 L322	Y297-T324 WeakPolarHBondContact CE2-O 3.26Å; Y297-T324 PolarHBondContact OH-N 3.26Å; Y297-T324 PolarHBondContact OH-OG1 2.83Å; L322-T324 VanDerWaalsContact C-N 3.26Å; L322-T324 PolarHBondContact O-N 2.77Å
325	P	92.2	Very high	93	Very high	66 Å²	66	37.9 Å²	37.9	43%	0.429	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	143.3	172.4	-26.6	36.4	0	0	0	111.2	L262 I263 T264	L262-P325 HydrophobicContact CD1-CB 3.85Å; L262-P325 HydrophobicContact CG-CB 4.26Å; I263-P325 VanDerWaalsContact O-CA 3.24Å; I263-P325 WeakPolarHBondContact O-CA 2.99Å; I263-P325 WeakPolarHBondContact O-CB 3.21Å; T264-P325 HydrophobicContact CG2-CB 4.19Å; T264-P325 HydrophobicContact CG2-CG 4.31Å
326	F	91.6	Very high	93.4	Very high	18 Å²	18	37.3 Å²	37.3	8%	0.079	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.9	-179.3	62.8	-96.6	0	0	0	111.2	I263 Y287 Y297 L322 A328 V331	I263-F326 HydrophobicContact CB-CD2 4.35Å; I263-F326 HydrophobicContact CB-CE1 4.47Å; I263-F326 HydrophobicContact CB-CE2 3.96Å; I263-F326 HydrophobicContact CB-CZ 4.04Å; I263-F326 HydrophobicContact CG1-CD2 4.34Å; I263-F326 HydrophobicContact CG1-CE2 3.85Å; I263-F326 HydrophobicContact CG1-CZ 4.31Å; I263-F326 HydrophobicContact CG2-CE2 4.47Å; I263-F326 HydrophobicContact CG2-CZ 4.1Å; I263-F326 PolarHBondContact N-O 3.1Å; I263-F326 PolarHBondContact O-N 3.24Å; I263-F326 VanDerWaalsContact O-N 3.17Å; Y287-F326 HydrophobicContact CD1-CD1 4.35Å; Y287-F326 AromaticContact CD1-CD2 3.82Å; Y287-F326 HydrophobicContact CD1-CD2 3.82Å; Y287-F326 HydrophobicContact CD1-CE1 4.26Å; Y287-F326 AromaticContact CD1-CE2 3.77Å; Y287-F326 HydrophobicContact CD1-CE2 3.77Å; Y287-F326 HydrophobicContact CD1-CG 4.13Å; Y287-F326 AromaticContact CD1-CZ 3.99Å; Y287-F326 HydrophobicContact CD1-CZ 3.99Å; Y287-F326 AromaticContact CD2-CD2 3.89Å; Y287-F326 HydrophobicContact CD2-CD2 3.89Å; Y287-F326 HydrophobicContact CD2-CE2 4.26Å; Y287-F326 HydrophobicContact CE1-CD1 4.46Å; Y287-F326 HydrophobicContact CE1-CD2 4.32Å; Y287-F326 HydrophobicContact CE1-CG 4.23Å; Y287-F326 HydrophobicContact CE2-CD2 4.38Å; Y287-F326 AromaticContact CG-CD2 3.59Å; Y287-F326 HydrophobicContact CG-CD2 3.59Å; Y287-F326 AromaticContact CG-CE2 3.55Å; Y287-F326 HydrophobicContact CG-CE2 3.55Å; Y287-F326 HydrophobicContact CG-CG 4.31Å; Y287-F326 HydrophobicContact CG-CZ 4.2Å; Y297-F326 AromaticContact CD2-CD1 3.63Å; Y297-F326 HydrophobicContact CD2-CD1 3.63Å; Y297-F326 AromaticContact CD2-CE1 3.72Å; Y297-F326 HydrophobicContact CD2-CE1 3.72Å; Y297-F326 HydrophobicContact CE2-CD1 4.08Å; Y297-F326 HydrophobicContact CE2-CE1 4.39Å; Y297-F326 HydrophobicContact CG-CE1 4.41Å; L322-F326 HydrophobicContact CD1-CD1 3.82Å; L322-F326 HydrophobicContact CD1-CE1 3.4Å; L322-F326 VanDerWaalsContact CD1-CE1 3.4Å; L322-F326 HydrophobicContact CD1-CZ 4.29Å; F326-A328 HydrophobicContact CD2-CB 3.85Å; F326-A328 HydrophobicContact CE2-CB 3.76Å; F326-V331 HydrophobicContact CE2-CG2 4.24Å
327	I	90.8	Very high	93.8	Very high	66 Å²	66	37.2 Å²	37.2	34%	0.338	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.2	178	-62.6	164.1	0	0	0	108.8	P260 T261 L262 Q353	P260-I327 HydrophobicContact CB-CG2 3.93Å; T261-I327 WeakPolarHBondContact O-CA 3.41Å; L262-I327 HydrophobicContact CD1-CG1 3.85Å; I327-Q353 HydrophobicContact CD1-CG 4.24Å
328	A	91.7	Very high	94	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153.1	176.6	0	0	0	0	0	112.4	T261 Y287 N289 F326 V331	T261-A328 PolarHBondContact N-O 2.55Å; T261-A328 PolarHBondContact O-N 2.77Å; T261-A328 PolarHBondContact OG1-O 2.67Å; T261-A328 VanDerWaalsContact OG1-O 3.12Å; Y287-A328 HydrophobicContact CD2-CB 4.27Å; Y287-A328 HydrophobicContact CG-CB 4.37Å; N289-A328 VanDerWaalsContact OD1-CA 3.26Å; N289-A328 WeakPolarHBondContact OD1-CA 2.94Å; F326-A328 HydrophobicContact CD2-CB 3.85Å; F326-A328 HydrophobicContact CE2-CB 3.76Å; A328-V331 HydrophobicContact CB-CG2 4.2Å
329	R	90.5	Very high	94	Very high	50 Å²	50	39.6 Å²	39.6	19%	0.189	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-42.3	163.4	168.6	170.1	-176.9	178.8	0.1	112.2	D256 V257 G258 S288 N289	D256-R329 VanDerWaalsContact OD1-CG 3.26Å; D256-R329 WeakPolarHBondContact OD1-CG 3.12Å; D256-R329 IonicContact OD1-CZ 3.57Å; D256-R329 IonicContact OD1-NE 3.05Å; D256-R329 PolarHBondContact OD1-NE 3.29Å; D256-R329 IonicContact OD1-NH2 2.85Å; D256-R329 IonicContact OD2-CZ 2.92Å; D256-R329 IonicContact OD2-NE 3.95Å; D256-R329 IonicContact OD2-NH2 3.64Å; D256-R329 PolarHBondContact OD2-NH2 3.29Å; V257-R329 WeakPolarHBondContact CG2-O 3.49Å; V257-R329 PolarHBondContact N-O 2.94Å; G258-R329 WeakPolarHBondContact O-CD 3.47Å; G258-R329 WeakPolarHBondContact O-CG 3.49Å; G258-R329 PolarHBondContact O-NE 2.58Å; S288-R329 PolarHBondContact O-N 3.38Å; N289-R329 PolarHBondContact OD1-N 3.26Å; N289-R329 VanDerWaalsContact OD1-N 3.08Å
330	Y	93.8	Very high	93.9	Very high	27 Å²	27	41.9 Å²	41.9	11%	0.106	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130	-176.6	-57.6	-82.5	0	0	0	109.8	I255 D256 Y287 S288 T291	I255-Y330 WeakPolarHBondContact O-CA 3.48Å; D256-Y330 HydrophobicContact CB-CD1 3.69Å; D256-Y330 HydrophobicContact CB-CE1 3.58Å; D256-Y330 VanDerWaalsContact OD2-CE1 3.3Å; D256-Y330 WeakPolarHBondContact OD2-CE1 3.21Å; Y287-Y330 CarbonylContact C-O 3.59Å; Y287-Y330 VanDerWaalsContact CA-O 3.25Å; Y287-Y330 WeakPolarHBondContact CA-O 3.33Å; S288-Y330 PolarHBondContact N-O 3.2Å; S288-Y330 WeakPolarHBondContact O-CB 3.3Å; S288-Y330 PolarHBondContact O-N 3.23Å; T291-Y330 HydrophobicContact CG2-CD1 3.84Å; T291-Y330 HydrophobicContact CG2-CD2 3.62Å; T291-Y330 HydrophobicContact CG2-CE1 3.52Å; T291-Y330 HydrophobicContact CG2-CE2 3.31Å; T291-Y330 HydrophobicContact CG2-CG 3.88Å
331	V	96.7	Very high	93.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.8	175	-176.7	0	0	0	0	108.8	Q254 I255 I263 S286 F326 A328 I333 L348	Q254-V331 CarbonylContact C-O 3.54Å; Q254-V331 WeakPolarHBondContact CA-O 3.34Å; I255-V331 PolarHBondContact N-O 3.08Å; I255-V331 PolarHBondContact O-N 3.43Å; I263-V331 HydrophobicContact CD1-CG2 4.44Å; I263-V331 HydrophobicContact CG1-CG2 4.14Å; S286-V331 CarbonylContact O-C 3.54Å; F326-V331 HydrophobicContact CE2-CG2 4.24Å; A328-V331 HydrophobicContact CB-CG2 4.2Å; V331-I333 HydrophobicContact CG1-CD1 4.48Å; V331-L348 HydrophobicContact CB-CD1 3.91Å; V331-L348 HydrophobicContact CG1-CD1 4.36Å; V331-L348 HydrophobicContact CG1-CD2 4.06Å; V331-L348 HydrophobicContact CG2-CD1 3.9Å
332	R	96.9	Very high	93.7	Very high	45 Å²	45	43.3 Å²	43.3	17%	0.17	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.3	175.1	-85.9	175.4	-174.2	171	3.6	110.4	W252 L253 Q254 L285 S286 W294	W252-R332 HydrophobicContact CB-CB 4.49Å; W252-R332 HydrophobicContact CB-CG 4.38Å; W252-R332 HydrophobicContact CD2-CG 4.29Å; W252-R332 HydrophobicContact CE3-CG 4.02Å; W252-R332 HydrophobicContact CG-CG 4.47Å; L253-R332 CarbonylContact O-C 3.51Å; L253-R332 VanDerWaalsContact O-CA 3.28Å; L253-R332 WeakPolarHBondContact O-CA 2.98Å; Q254-R332 HydrophobicContact CB-CG 3.73Å; Q254-R332 HydrophobicContact CG-CG 4.03Å; L285-R332 WeakPolarHBondContact CA-O 3.18Å; S286-R332 PolarHBondContact N-O 3.29Å; S286-R332 PolarHBondContact O-N 3.2Å; S286-R332 WeakPolarHBondContact OG-CB 3.27Å; W294-R332 VanDerWaalsContact CE2-CZ 3.4Å; W294-R332 HydrophobicContact CE3-CB 4.34Å; W294-R332 HydrophobicContact CE3-CG 4.24Å; W294-R332 HydrophobicContact CH2-CB 4.3Å; W294-R332 VanDerWaalsContact CH2-CD 3.47Å; W294-R332 HydrophobicContact CH2-CG 3.51Å; W294-R332 VanDerWaalsContact CH2-NE 3.34Å; W294-R332 HydrophobicContact CZ2-CG 4.31Å; W294-R332 HydrophobicContact CZ3-CB 3.76Å; W294-R332 HydrophobicContact CZ3-CG 3.48Å; W294-R332 VanDerWaalsContact CZ3-CG 3.48Å
333	I	97.6	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.8	176.9	-57.6	86.2	0	0	0	107.4	W252 L253 I255 F283 L285 V331 P335 M344 V346	W252-I333 VanDerWaalsContact CA-O 3.29Å; W252-I333 WeakPolarHBondContact CA-O 3.44Å; L253-I333 PolarHBondContact N-O 2.84Å; L253-I333 WeakPolarHBondContact O-CD1 3.24Å; L253-I333 PolarHBondContact O-N 2.79Å; I255-I333 HydrophobicContact CD1-CD1 3.76Å; I255-I333 HydrophobicContact CG1-CD1 4.05Å; F283-I333 HydrophobicContact CB-CG2 4.23Å; F283-I333 HydrophobicContact CD2-CG2 3.8Å; F283-I333 HydrophobicContact CG-CG2 4.21Å; L285-I333 HydrophobicContact CD2-CB 4.5Å; L285-I333 HydrophobicContact CD2-CG1 3.83Å; V331-I333 HydrophobicContact CG1-CD1 4.48Å; I333-P335 WeakPolarHBondContact O-CD 3.46Å; I333-M344 HydrophobicContact CG2-CE 4.07Å; I333-M344 HydrophobicContact CG2-SD 3.76Å; I333-V346 HydrophobicContact CB-CG2 4.5Å; I333-V346 HydrophobicContact CD1-CB 4.41Å; I333-V346 HydrophobicContact CD1-CG1 3.8Å; I333-V346 HydrophobicContact CD1-CG2 4.34Å; I333-V346 HydrophobicContact CG1-CG1 3.91Å; I333-V346 HydrophobicContact CG1-CG2 4.19Å; I333-V346 HydrophobicContact CG2-CG2 4.43Å
334	H	97.3	Very high	94	Very high	25 Å²	25	39.7 Å²	39.7	12%	0.116	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	101.7	-174.9	-61.6	-94.4	0	0	0	109.9	F283 K284 S286 F296 V336	F283-H334 CarbonylContact C-O 3.58Å; F283-H334 WeakPolarHBondContact CA-O 3.38Å; F283-H334 WeakPolarHBondContact CB-O 2.71Å; K284-H334 HydrophobicContact CB-CB 4.26Å; K284-H334 PolarHBondContact N-O 3.46Å; K284-H334 PolarHBondContact O-N 2.92Å; S286-H334 PolarHBondContact OG-NE2 3.13Å; F296-H334 AromaticContact CE1-CD2 3.89Å; F296-H334 AromaticContact CE1-NE2 3.92Å; H334-V336 PolarHBondContact O-N 3.39Å
335	P	97.4	Very high	94.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	128.9	173.5	24.6	-33.3	0	0	0	111.1	W242 Q251 V280 I333 W338 I342 M344	W242-P335 HydrophobicContact CH2-CG 4.48Å; W242-P335 HydrophobicContact CZ3-CG 4.49Å; Q251-P335 HydrophobicContact CB-CG 4.16Å; Q251-P335 VanDerWaalsContact O-CD 3.29Å; Q251-P335 WeakPolarHBondContact O-CD 3.43Å; V280-P335 HydrophobicContact CG1-CB 3.92Å; V280-P335 HydrophobicContact CG2-CB 3.93Å; I333-P335 WeakPolarHBondContact O-CD 3.46Å; P335-W338 HydrophobicContact CB-CE3 4.22Å; P335-I342 HydrophobicContact CB-CG2 4.07Å; P335-I342 HydrophobicContact CG-CD1 4.16Å; P335-I342 HydrophobicContact CG-CG2 3.69Å; P335-M344 HydrophobicContact CB-CE 3.76Å; P335-M344 HydrophobicContact CG-CE 3.69Å
336	V	95.8	Very high	94.4	Very high	46 Å²	46	34.8 Å²	34.8	28%	0.279	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-46.1	177.9	-177	0	0	0	0	110.4	R282 K284 H334 W338	R282-V336 HydrophobicContact CB-CB 4.33Å; R282-V336 PolarHBondContact O-N 2.78Å; K284-V336 HydrophobicContact CD-CG2 4.13Å; K284-V336 HydrophobicContact CG-CG2 3.89Å; H334-V336 PolarHBondContact O-N 3.39Å; V336-W338 WeakPolarHBondContact O-CZ3 2.77Å
337	I	96.8	Very high	94.6	Very high	77 Å²	77	34 Å²	34	40%	0.395	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.5	177.7	-46.6	-176.2	0	0	0	108	T281 R282	T281-I337 PolarHBondContact N-O 3.17Å; T281-I337 WeakPolarHBondContact OG1-CB 3.36Å; T281-I337 WeakPolarHBondContact OG1-CG2 3.41Å; T281-I337 PolarHBondContact OG1-O 2.63Å; T281-I337 VanDerWaalsContact OG1-O 3.07Å; R282-I337 HydrophobicContact CB-CB 4.14Å; R282-I337 HydrophobicContact CB-CG1 4.18Å; R282-I337 HydrophobicContact CG-CD1 4.42Å; R282-I337 PolarHBondContact N-O 3.27Å; R282-I337 PolarHBondContact O-N 3.36Å
338	W	95.1	Very high	94.8	Very high	64 Å²	64	31 Å²	31	24%	0.242	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	162.2	-178.1	53.3	88.6	0	0	0	110.8	Q247 D248 Y279 V280 P335 V336 I342	Q247-W338 HydrophobicContact CB-CZ2 4.32Å; Q247-W338 WeakPolarHBondContact O-CZ2 3.29Å; D248-W338 VanDerWaalsContact C-CH2 3.44Å; Y279-W338 WeakPolarHBondContact O-CA 3.44Å; Y279-W338 WeakPolarHBondContact O-CB 3.22Å; V280-W338 HydrophobicContact CG2-CB 4.37Å; P335-W338 HydrophobicContact CB-CE3 4.22Å; V336-W338 WeakPolarHBondContact O-CZ3 2.77Å; W338-I342 HydrophobicContact CB-CG1 4.29Å; W338-I342 HydrophobicContact CD2-CD1 3.89Å; W338-I342 HydrophobicContact CD2-CG1 3.26Å; W338-I342 HydrophobicContact CE3-CD1 3.84Å; W338-I342 HydrophobicContact CE3-CG1 3.59Å; W338-I342 HydrophobicContact CG-CG1 3.57Å; W338-I342 HydrophobicContact CH2-CD1 3.87Å; W338-I342 HydrophobicContact CH2-CG1 4.34Å; W338-I342 HydrophobicContact CZ2-CD1 3.9Å; W338-I342 HydrophobicContact CZ2-CG1 4.06Å; W338-I342 HydrophobicContact CZ3-CD1 3.82Å; W338-I342 HydrophobicContact CZ3-CG1 4.12Å
339	R	94.3	Very high	95	Very high	106 Å²	106	31.2 Å²	31.2	40%	0.4	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.2	172.4	-169.9	178	-178.6	-142.3	7.4	110.7	Y279 E313 R341	Y279-R339 HydrophobicContact CD2-CB 4.12Å; Y279-R339 HydrophobicContact CE1-CB 4.2Å; Y279-R339 HydrophobicContact CE1-CG 4.49Å; Y279-R339 HydrophobicContact CE2-CB 3.72Å; Y279-R339 PolarHBondContact O-N 3Å; Y279-R339 WeakPolarHBondContact OH-CD 3.11Å; Y279-R339 PolarHBondContact OH-NH1 2.96Å; E313-R339 IonicContact OE1-CZ 3.59Å; E313-R339 IonicContact OE1-NE 3.78Å; E313-R339 IonicContact OE1-NH1 2.72Å; E313-R339 PolarHBondContact OE1-NH1 2.58Å; E313-R339 IonicContact OE1-NH2 3.66Å; E313-R339 PolarHBondContact OE1-NH2 3.23Å; R339-R341 PolarHBondContact O-N 3.09Å
340	S	92.2	Very high	95.2	Very high	89 Å²	89	28.9 Å²	28.9	62%	0.622	14%	0.135	S	C	*	.	S	Bend	trans	62.5	-70.1	-176.5	-177	0	0	0	0	113.5
341	R	92.5	Very high	95.1	Very high	88 Å²	88	28.5 Å²	28.5	33%	0.332	14%	0.136	S	C	.	.	S	Bend	trans	-147.6	155.9	176.6	-59.8	-170.4	80.6	115.2	1.6	110.6	Q247 Q278 R339 A343	Q247-R341 VanDerWaalsContact OE1-CA 3.24Å; Q278-R341 HydrophobicContact CG-CB 4.42Å; R339-R341 PolarHBondContact O-N 3.09Å; R341-A343 PolarHBondContact O-N 3.03Å
342	I	94.4	Very high	94.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.164	C	C	.	.			trans	-65.7	101.9	170.4	-57.1	172.5	0	0	0	108.5	W242 C243 A244 D248 Q251 V280 P335 W338	W242-I342 HydrophobicContact CE3-CG2 4.49Å; W242-I342 HydrophobicContact CH2-CG2 3.9Å; W242-I342 HydrophobicContact CZ3-CG2 3.62Å; C243-I342 WeakPolarHBondContact CA-O 3.34Å; A244-I342 HydrophobicContact CB-CB 3.9Å; A244-I342 HydrophobicContact CB-CD1 4.27Å; A244-I342 HydrophobicContact CB-CG2 3.85Å; A244-I342 PolarHBondContact N-O 2.82Å; A244-I342 VanDerWaalsContact N-O 3.11Å; D248-I342 WeakPolarHBondContact O-CD1 3.46Å; Q251-I342 HydrophobicContact CB-CD1 4.22Å; Q251-I342 HydrophobicContact CG-CD1 3.96Å; V280-I342 HydrophobicContact CG2-CG2 4.39Å; P335-I342 HydrophobicContact CB-CG2 4.07Å; P335-I342 HydrophobicContact CG-CD1 4.16Å; P335-I342 HydrophobicContact CG-CG2 3.69Å; W338-I342 HydrophobicContact CB-CG1 4.29Å; W338-I342 HydrophobicContact CD2-CD1 3.89Å; W338-I342 HydrophobicContact CD2-CG1 3.26Å; W338-I342 HydrophobicContact CE3-CD1 3.84Å; W338-I342 HydrophobicContact CE3-CG1 3.59Å; W338-I342 HydrophobicContact CG-CG1 3.57Å; W338-I342 HydrophobicContact CH2-CD1 3.87Å; W338-I342 HydrophobicContact CH2-CG1 4.34Å; W338-I342 HydrophobicContact CZ2-CD1 3.9Å; W338-I342 HydrophobicContact CZ2-CG1 4.06Å; W338-I342 HydrophobicContact CZ3-CD1 3.82Å; W338-I342 HydrophobicContact CZ3-CG1 4.12Å
343	A	93	Very high	93.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	137.2	165.6	0	0	0	0	0	109.1	W242 C243 R271 Q278 Y279 R341	W242-A343 WeakPolarHBondContact O-CA 3.35Å; C243-A343 HydrophobicContact CB-CB 4.46Å; R271-A343 HydrophobicContact CB-CB 3.95Å; R271-A343 HydrophobicContact CG-CB 4.44Å; Q278-A343 HydrophobicContact CB-CB 3.94Å; Y279-A343 WeakPolarHBondContact CA-O 3.29Å; R341-A343 PolarHBondContact O-N 3.03Å
344	M	94	Very high	92.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	156.9	178.1	58.8	174.4	121	0	0	112.3	W242 L268 V280 I333 P335 V346	W242-M344 HydrophobicContact CE3-CE 4.14Å; W242-M344 HydrophobicContact CE3-CG 3.8Å; W242-M344 HydrophobicContact CZ3-CE 3.51Å; W242-M344 HydrophobicContact CZ3-CG 4.15Å; W242-M344 PolarHBondContact N-O 2.84Å; W242-M344 VanDerWaalsContact N-O 3.12Å; W242-M344 PolarHBondContact O-N 2.87Å; W242-M344 VanDerWaalsContact O-N 3.07Å; L268-M344 HydrophobicContact CD1-CB 3.9Å; L268-M344 HydrophobicContact CD1-CG 4.38Å; L268-M344 HydrophobicContact CD1-SD 3.64Å; V280-M344 HydrophobicContact CG2-CB 4.15Å; V280-M344 HydrophobicContact CG2-CE 3.75Å; V280-M344 HydrophobicContact CG2-CG 4.37Å; V280-M344 HydrophobicContact CG2-SD 4.23Å; I333-M344 HydrophobicContact CG2-CE 4.07Å; I333-M344 HydrophobicContact CG2-SD 3.76Å; P335-M344 HydrophobicContact CB-CE 3.76Å; P335-M344 HydrophobicContact CG-CE 3.69Å; M344-V346 HydrophobicContact CG-CG2 4.16Å; M344-V346 HydrophobicContact SD-CG2 3.72Å
345	R	94.2	Very high	90.9	Very high	28 Å²	28	41.9 Å²	41.9	11%	0.106	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.9	161.6	-68.4	171.9	-77.4	-178.7	-0.2	108.2	G234 S238 K240 A241 K269 S270	G234-R345 CarbonylContact O-C 3.51Å; G234-R345 VanDerWaalsContact O-CA 3.31Å; G234-R345 WeakPolarHBondContact O-CA 3.48Å; S238-R345 WeakPolarHBondContact O-CD 3.37Å; S238-R345 PolarHBondContact O-NH1 2.93Å; K240-R345 WeakPolarHBondContact O-CD 3.41Å; K240-R345 VanDerWaalsContact O-CG 3.31Å; K240-R345 WeakPolarHBondContact O-CG 3.39Å; A241-R345 HydrophobicContact CB-CG 4.18Å; K269-R345 HydrophobicContact CB-CB 4.14Å; K269-R345 PolarHBondContact N-O 3.19Å; K269-R345 PolarHBondContact O-N 3.38Å; S270-R345 PolarHBondContact O-NE 2.97Å; S270-R345 PolarHBondContact O-NH2 2.67Å
346	V	95.9	Very high	89.5	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136	-174.9	-176.1	0	0	0	0	110	G234 H235 Y236 L253 I255 V266 I267 L268 I333 M344	G234-V346 PolarHBondContact O-N 2.75Å; H235-V346 CarbonylContact C-O 3.56Å; Y236-V346 PolarHBondContact N-O 3.46Å; L253-V346 HydrophobicContact CD2-CB 4.43Å; L253-V346 HydrophobicContact CD2-CG2 3.94Å; I255-V346 HydrophobicContact CD1-CB 4.15Å; I255-V346 HydrophobicContact CD1-CG1 3.84Å; V266-V346 HydrophobicContact CG2-CG1 3.86Å; I267-V346 CarbonylContact O-C 3.54Å; I267-V346 VanDerWaalsContact O-CA 3.31Å; I267-V346 WeakPolarHBondContact O-CA 2.92Å; L268-V346 HydrophobicContact CD1-CG2 3.86Å; I333-V346 HydrophobicContact CB-CG2 4.5Å; I333-V346 HydrophobicContact CD1-CB 4.41Å; I333-V346 HydrophobicContact CD1-CG1 3.8Å; I333-V346 HydrophobicContact CD1-CG2 4.34Å; I333-V346 HydrophobicContact CG1-CG1 3.91Å; I333-V346 HydrophobicContact CG1-CG2 4.19Å; I333-V346 HydrophobicContact CG2-CG2 4.43Å; M344-V346 HydrophobicContact CG-CG2 4.16Å; M344-V346 HydrophobicContact SD-CG2 3.72Å
347	G	95.1	Very high	88.3	Confident	2 Å²	2	46.3 Å²	46.3	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.2	164.5	0	0	0	0	0	109.6	V266 I267	V266-G347 CarbonylContact C-O 3.55Å; V266-G347 WeakPolarHBondContact CA-O 3.29Å; I267-G347 PolarHBondContact N-O 3.23Å; I267-G347 PolarHBondContact O-N 3.04Å
348	L	96.4	Very high	87.1	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.6	168.7	-65.4	175.5	0	0	0	108	I206 I207 I255 V257 I263 V266 V331	I206-L348 CarbonylContact C-O 3.54Å; I206-L348 WeakPolarHBondContact CA-O 3.42Å; I207-L348 HydrophobicContact CD1-CB 4.31Å; I207-L348 HydrophobicContact CG1-CB 3.75Å; I207-L348 WeakPolarHBondContact CG1-O 3.3Å; I207-L348 PolarHBondContact N-O 3.05Å; I207-L348 PolarHBondContact O-N 3.14Å; I255-L348 HydrophobicContact CB-CD1 4.21Å; I255-L348 HydrophobicContact CD1-CD1 4.01Å; I255-L348 HydrophobicContact CD1-CG 3.98Å; I255-L348 HydrophobicContact CG2-CD1 4.13Å; V257-L348 HydrophobicContact CG2-CD1 3.89Å; I263-L348 HydrophobicContact CD1-CD1 4.33Å; I263-L348 HydrophobicContact CG2-CD2 4.36Å; V266-L348 HydrophobicContact CB-CD2 4.38Å; V266-L348 HydrophobicContact CG2-CD2 4.17Å; V331-L348 HydrophobicContact CB-CD1 3.91Å; V331-L348 HydrophobicContact CG1-CD1 4.36Å; V331-L348 HydrophobicContact CG1-CD2 4.06Å; V331-L348 HydrophobicContact CG2-CD1 3.9Å
349	L	95.7	Very high	85.8	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141.1	170.8	-65	178	0	0	0	108.8	K204 Q205 I206 T264 G265 I267 I319 Y321	K204-L349 WeakPolarHBondContact O-CD2 3.04Å; Q205-L349 CarbonylContact O-C 3.6Å; Q205-L349 VanDerWaalsContact O-CA 3.31Å; Q205-L349 WeakPolarHBondContact O-CA 3.46Å; I206-L349 HydrophobicContact CG1-CD2 3.87Å; T264-L349 PolarHBondContact N-O 3.14Å; T264-L349 VanDerWaalsContact OG1-C 3.27Å; T264-L349 PolarHBondContact OG1-O 2.94Å; G265-L349 PolarHBondContact N-O 2.87Å; G265-L349 PolarHBondContact O-N 2.9Å; I267-L349 HydrophobicContact CD1-CD1 4.34Å; I267-L349 HydrophobicContact CD1-CD2 3.72Å; I267-L349 HydrophobicContact CD1-CG 4Å; I267-L349 HydrophobicContact CG1-CD1 4.2Å; I267-L349 HydrophobicContact CG1-CD2 4.33Å; I267-L349 HydrophobicContact CG1-CG 4.04Å; I319-L349 HydrophobicContact CG2-CD1 3.95Å; Y321-L349 HydrophobicContact CD1-CD1 4.18Å; Y321-L349 HydrophobicContact CE1-CD1 3.73Å
350	G	94.5	Very high	84.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-163	178.9	0	0	0	0	0	114.3	C203 Q205 L262 T264	C203-G350 CarbonylContact C-O 3.51Å; C203-G350 WeakPolarHBondContact O-CA 3.35Å; Q205-G350 PolarHBondContact O-N 3.01Å; L262-G350 WeakPolarHBondContact O-CA 3.3Å; T264-G350 WeakPolarHBondContact OG1-CA 3.3Å; T264-G350 PolarHBondContact OG1-N 2.98Å
351	C	90.7	Very high	83.5	Confident	20 Å²	20	36.7 Å²	36.7	14%	0.135	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	166.4	175.2	53.9	0	0	0	0	110.1	C203 L262	C203-C351 HydrophobicContact CB-CB 3.66Å; C203-C351 WeakPolarHBondContact CB-SG 3.39Å; C203-C351 WeakPolarHBondContact SG-CB 3.26Å; C203-C351 CovalentContact SG-SG 2.02Å; C203-C351 PolarHBondContact SG-SG 3.43Å; L262-C351 PolarHBondContact N-O 2.89Å; L262-C351 PolarHBondContact O-N 3.42Å; L262-C351 VanDerWaalsContact O-N 3.11Å
352	K	81.2	Confident	82.3	Confident	133 Å²	133	37 Å²	37	58%	0.578	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	136.6	169.4	-57.7	-175	-176.7	176.3	0	109	K354	K352-K354 PolarHBondContact O-N 2.79Å
353	Q	77.2	Confident	81.2	Confident	38 Å²	38	40.1 Å²	40.1	18%	0.178	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-61.9	126.3	177.7	-176	-175.9	-6.4	0	0	110	I327 S356	I327-Q353 HydrophobicContact CD1-CG 4.24Å; Q353-S356 PolarHBondContact NE2-O 2.81Å
354	K	70.9	Confident	80	Confident	140 Å²	140	46 Å²	46	61%	0.609	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-87.1	140.1	167.1	-62.8	-175.2	-175.4	-179.4	0	108.6	E46 K352	E46-K354 IonicContact OE1-NZ 2.77Å; E46-K354 PolarHBondContact OE1-NZ 3.32Å; K352-K354 PolarHBondContact O-N 2.79Å
355	G	71	Confident	78.8	Confident	40 Å²	40	50.1 Å²	50.1	41%	0.412	28%	0.276	S	S	.	.	S	Bend	trans	107.7	-154.5	179	0	0	0	0	0	114.3
356	S	69.8	Low	77.6	Confident	109 Å²	109	55.5 Å²	55.5	76%	0.762	31%	0.307	S	S	*	.	S	Bend	trans	-68.5	128.2	-177.4	-59.6	0	0	0	0	111.8	Q353	Q353-S356 PolarHBondContact NE2-O 2.81Å
357	C	70.5	Confident	76.1	Confident	30 Å²	30	63 Å²	63	20%	0.203	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-68.1	143.9	179.2	-60.8	0	0	0	0	111.4	F361 C370	C357-F361 HydrophobicContact CB-CB 3.87Å; C357-F361 VanDerWaalsContact CB-O 3.3Å; C357-F361 WeakPolarHBondContact CB-O 3.5Å; C357-C370 WeakPolarHBondContact CA-SG 3.45Å; C357-C370 HydrophobicContact CB-CB 3.93Å; C357-C370 WeakPolarHBondContact CB-SG 3.18Å; C357-C370 VanDerWaalsContact SG-CA 3.55Å; C357-C370 WeakPolarHBondContact SG-CB 3.39Å; C357-C370 CovalentContact SG-SG 2.04Å; C357-C370 PolarHBondContact SG-SG 2.99Å
358	S	69.7	Low	74.8	Confident	33 Å²	33	64.1 Å²	64.1	23%	0.231	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-64.3	153.2	172.7	74	0	0	0	0	110.7	P260 G360 F361	P260-S358 WeakPolarHBondContact CG-OG 3.39Å; S358-G360 PolarHBondContact O-N 3.26Å; S358-G360 VanDerWaalsContact O-N 3.13Å; S358-F361 PolarHBondContact O-N 2.84Å
359	A	69.1	Low	73.4	Confident	66 Å²	66	66 Å²	66	55%	0.545	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	120.9	-177	0	0	0	0	0	112	Y376	A359-Y376 VanDerWaalsContact C-CE1 3.45Å; A359-Y376 HydrophobicContact CB-CE2 3.99Å; A359-Y376 WeakPolarHBondContact CB-OH 3.3Å; A359-Y376 WeakPolarHBondContact O-CE1 3.44Å; A359-Y376 VanDerWaalsContact O-CZ 3.26Å; A359-Y376 PolarHBondContact O-OH 3.02Å
360	G	66.3	Low	72.3	Confident	9 Å²	9	66 Å²	66	9%	0.093	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	104	5.1	-173.1	0	0	0	0	0	116.6	S358 N373 Y376	S358-G360 PolarHBondContact O-N 3.26Å; S358-G360 VanDerWaalsContact O-N 3.13Å; G360-N373 WeakPolarHBondContact O-CB 3.06Å; G360-N373 PolarHBondContact O-N 2.88Å; G360-Y376 VanDerWaalsContact CA-CB 3.47Å; G360-Y376 VanDerWaalsContact CA-CD2 3.45Å; G360-Y376 VanDerWaalsContact N-CE2 3.35Å; G360-Y376 VanDerWaalsContact N-CZ 3.31Å
361	F	71.6	Confident	71.2	Confident	25 Å²	25	68.2 Å²	68.2	11%	0.11	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.8	170.9	-63.3	-97.7	0	0	0	108	P259 P260 C357 S358 C370 V371 P372	P259-F361 HydrophobicContact CB-CD1 4.2Å; P259-F361 HydrophobicContact CB-CE1 4.26Å; P260-F361 VanDerWaalsContact CD-CD1 3.43Å; P260-F361 VanDerWaalsContact CD-CG 3.48Å; P260-F361 HydrophobicContact CG-CD1 4.32Å; P260-F361 HydrophobicContact CG-CD2 3.59Å; P260-F361 HydrophobicContact CG-CE2 3.85Å; P260-F361 HydrophobicContact CG-CG 3.88Å; P260-F361 HydrophobicContact CG-CZ 4.35Å; C357-F361 HydrophobicContact CB-CB 3.87Å; C357-F361 VanDerWaalsContact CB-O 3.3Å; C357-F361 WeakPolarHBondContact CB-O 3.5Å; S358-F361 PolarHBondContact O-N 2.84Å; F361-C370 HydrophobicContact CB-CB 4.06Å; F361-V371 CarbonylContact C-O 3.55Å; F361-V371 WeakPolarHBondContact CA-O 3.39Å; F361-P372 HydrophobicContact CD1-CB 3.98Å; F361-P372 VanDerWaalsContact CE1-CA 3.48Å; F361-P372 HydrophobicContact CE1-CB 3.57Å; F361-P372 HydrophobicContact CE1-CG 4.32Å; F361-P372 HydrophobicContact CZ-CB 4.32Å
362	F	67.6	Low	70.1	Confident	95 Å²	95	69.6 Å²	69.6	42%	0.417	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	155.3	172.8	68.9	-80	0	0	0	109.3	I364 V371 N373	F362-I364 HydrophobicContact CD2-CG1 4.47Å; F362-I364 HydrophobicContact CE2-CG1 3.93Å; F362-V371 PolarHBondContact N-O 2.75Å; F362-V371 PolarHBondContact O-N 2.94Å; F362-N373 HydrophobicContact CD1-CB 3.82Å; F362-N373 HydrophobicContact CE1-CB 4.31Å
363	R	70.7	Confident	69.6	Low	66 Å²	66	66.2 Å²	66.2	25%	0.249	37%	0.373	C	S	.	.			trans	-100.1	134.9	172.5	-119	172.2	173.2	-155.7	-18	107.7	N365 N366 S368	R363-N365 WeakPolarHBondContact CG-O 3.44Å; R363-N366 PolarHBondContact NH1-O 2.94Å; R363-N366 PolarHBondContact NH2-O 2.84Å; R363-S368 WeakPolarHBondContact CG-O 3.25Å; R363-S368 VanDerWaalsContact CZ-O 3.29Å; R363-S368 PolarHBondContact NE-O 3.25Å; R363-S368 PolarHBondContact NH2-O 2.98Å
364	I	67.9	Low	69.1	Low	124 Å²	124	70.5 Å²	70.5	64%	0.636	40%	0.397	S	S	*	.	S	Bend	trans	-75	-40.2	176.6	-62.3	170.9	0	0	0	109.1	F362 S368 V371	F362-I364 HydrophobicContact CD2-CG1 4.47Å; F362-I364 HydrophobicContact CE2-CG1 3.93Å; I364-S368 PolarHBondContact N-OG 2.65Å; I364-S368 VanDerWaalsContact N-OG 3.14Å; I364-V371 HydrophobicContact CD1-CG2 4.08Å; I364-V371 HydrophobicContact CG1-CG2 4.41Å
365	N	69.1	Low	68.4	Low	85 Å²	85	66 Å²	66	46%	0.455	39%	0.385	S	S	.	.	S	Bend	trans	-148.3	172.6	171.6	65.2	16.5	0	0	0	110.3	R363 E367 S368	R363-N365 WeakPolarHBondContact CG-O 3.44Å; N365-E367 PolarHBondContact O-N 2.78Å; N365-E367 VanDerWaalsContact O-N 3.17Å; N365-E367 PolarHBondContact OD1-N 3.23Å; N365-S368 PolarHBondContact N-OG 3Å; N365-S368 PolarHBondContact O-N 3.15Å; N365-S368 PolarHBondContact O-OG 3Å; N365-S368 WeakPolarHBondContact OD1-CA 3.41Å; N365-S368 WeakPolarHBondContact OD1-CB 3.45Å; N365-S368 PolarHBondContact OD1-N 2.7Å; N365-S368 PolarHBondContact OD1-OG 3.29Å
366	N	68.4	Low	68	Low	142 Å²	142	68 Å²	68	76%	0.759	38%	0.381	S	S	*	.	S	Bend	trans	-63.4	-20.1	-176.6	-78.9	-8.1	0	0	0	114.6	R363	R363-N366 PolarHBondContact NH1-O 2.94Å; R363-N366 PolarHBondContact NH2-O 2.84Å
367	E	65.2	Low	67.4	Low	158 Å²	158	67.6 Å²	67.6	74%	0.738	37%	0.366	S	S	*	.	S	Bend	trans	-96.5	-24.2	-179.9	-61.8	-173.8	164.2	0	0	112.6	N365	N365-E367 PolarHBondContact O-N 2.78Å; N365-E367 VanDerWaalsContact O-N 3.17Å; N365-E367 PolarHBondContact OD1-N 3.23Å
368	S	66.7	Low	66.2	Low	25 Å²	25	72.5 Å²	72.5	18%	0.175	38%	0.383	C	S	.	.	S	Bend	trans	-69.3	154.9	-178.3	63.5	0	0	0	0	111.7	R363 I364 N365	R363-S368 WeakPolarHBondContact CG-O 3.25Å; R363-S368 VanDerWaalsContact CZ-O 3.29Å; R363-S368 PolarHBondContact NE-O 3.25Å; R363-S368 PolarHBondContact NH2-O 2.98Å; I364-S368 PolarHBondContact N-OG 2.65Å; I364-S368 VanDerWaalsContact N-OG 3.14Å; N365-S368 PolarHBondContact N-OG 3Å; N365-S368 PolarHBondContact O-N 3.15Å; N365-S368 PolarHBondContact O-OG 3Å; N365-S368 WeakPolarHBondContact OD1-CA 3.41Å; N365-S368 WeakPolarHBondContact OD1-CB 3.45Å; N365-S368 PolarHBondContact OD1-N 2.7Å; N365-S368 PolarHBondContact OD1-OG 3.29Å
369	S	67.6	Low	65	Low	41 Å²	41	77 Å²	77	29%	0.287	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-71	147.9	169.4	52.6	0	0	0	0	110.9	V371	S369-V371 WeakPolarHBondContact O-CG2 3.43Å; S369-V371 PolarHBondContact O-N 2.82Å
370	C	73	Confident	63.6	Low	6 Å²	6	76.5 Å²	76.5	4%	0.041	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-52.9	128.1	166.9	-67.4	0	0	0	0	109.8	P259 C357 F361	P259-C370 HydrophobicContact CB-CB 4.34Å; P259-C370 WeakPolarHBondContact CB-O 3.44Å; C357-C370 WeakPolarHBondContact CA-SG 3.45Å; C357-C370 HydrophobicContact CB-CB 3.93Å; C357-C370 WeakPolarHBondContact CB-SG 3.18Å; C357-C370 VanDerWaalsContact SG-CA 3.55Å; C357-C370 WeakPolarHBondContact SG-CB 3.39Å; C357-C370 CovalentContact SG-SG 2.04Å; C357-C370 PolarHBondContact SG-SG 2.99Å; F361-C370 HydrophobicContact CB-CB 4.06Å
371	V	70.3	Confident	62.2	Low	48 Å²	48	81.8 Å²	81.8	29%	0.291	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.8	177.8	-175.7	0	0	0	0	107.8	F361 F362 I364 S369 N373	F361-V371 CarbonylContact C-O 3.55Å; F361-V371 WeakPolarHBondContact CA-O 3.39Å; F362-V371 PolarHBondContact N-O 2.75Å; F362-V371 PolarHBondContact O-N 2.94Å; I364-V371 HydrophobicContact CD1-CG2 4.08Å; I364-V371 HydrophobicContact CG1-CG2 4.41Å; S369-V371 WeakPolarHBondContact O-CG2 3.43Å; S369-V371 PolarHBondContact O-N 2.82Å; V371-N373 PolarHBondContact O-N 2.88Å; V371-N373 VanDerWaalsContact O-N 3.13Å
372	P	68.3	Low	60.3	Low	48 Å²	48	88.1 Å²	88.1	31%	0.312	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	121.9	174.5	20.2	-31.1	0	0	0	110.2	F361 L374	F361-P372 HydrophobicContact CD1-CB 3.98Å; F361-P372 VanDerWaalsContact CE1-CA 3.48Å; F361-P372 HydrophobicContact CE1-CB 3.57Å; F361-P372 HydrophobicContact CE1-CG 4.32Å; F361-P372 HydrophobicContact CZ-CB 4.32Å; P372-L374 VanDerWaalsContact C-N 3.33Å; P372-L374 HydrophobicContact CB-CD2 4.3Å; P372-L374 HydrophobicContact CG-CD2 4.49Å; P372-L374 PolarHBondContact O-N 3.23Å
373	N	69.8	Low	58.8	Low	62 Å²	62	85.3 Å²	85.3	33%	0.332	44%	0.443	S	S	.	.			trans	-71.3	95.9	164.7	-176.3	-6.8	0	0	0	107	G360 F362 V371 A375 Y376	G360-N373 WeakPolarHBondContact O-CB 3.06Å; G360-N373 PolarHBondContact O-N 2.88Å; F362-N373 HydrophobicContact CD1-CB 3.82Å; F362-N373 HydrophobicContact CE1-CB 4.31Å; V371-N373 PolarHBondContact O-N 2.88Å; V371-N373 VanDerWaalsContact O-N 3.13Å; N373-A375 PolarHBondContact O-N 3.28Å; N373-A375 VanDerWaalsContact O-N 3.09Å; N373-A375 WeakPolarHBondContact OD1-CA 3.5Å; N373-A375 WeakPolarHBondContact OD1-CB 3.4Å; N373-A375 PolarHBondContact OD1-N 2.85Å; N373-Y376 VanDerWaalsContact O-CB 3.3Å; N373-Y376 WeakPolarHBondContact O-CB 3.45Å; N373-Y376 PolarHBondContact O-N 3.15Å; N373-Y376 PolarHBondContact OD1-N 3.12Å
374	L	68.2	Low	56.9	Low	129 Å²	129	87.1 Å²	87.1	68%	0.675	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.8	-179.5	-63.2	178.5	0	0	0	112.9	P372 K378	P372-L374 VanDerWaalsContact C-N 3.33Å; P372-L374 HydrophobicContact CB-CD2 4.3Å; P372-L374 HydrophobicContact CG-CD2 4.49Å; P372-L374 PolarHBondContact O-N 3.23Å; L374-K378 WeakPolarHBondContact O-CD 2.93Å; L374-K378 VanDerWaalsContact O-CE 3.27Å; L374-K378 WeakPolarHBondContact O-CE 3.33Å; L374-K378 PolarHBondContact O-NZ 2.8Å
375	A	56.7	Low	55.5	Low	45 Å²	45	86 Å²	86	37%	0.372	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-7.4	174.9	0	0	0	0	0	113.5	N373 K377 K378 A380	N373-A375 PolarHBondContact O-N 3.28Å; N373-A375 VanDerWaalsContact O-N 3.09Å; N373-A375 WeakPolarHBondContact OD1-CA 3.5Å; N373-A375 WeakPolarHBondContact OD1-CB 3.4Å; N373-A375 PolarHBondContact OD1-N 2.85Å; A375-K377 PolarHBondContact O-N 2.86Å; A375-K378 PolarHBondContact O-N 3.26Å; A375-A380 HydrophobicContact CB-CB 4.29Å
376	Y	61.3	Low	54	Low	81 Å²	81	88.5 Å²	88.5	32%	0.318	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	124.7	-177.9	173.5	-106.9	0	0	0	112.2	A359 G360 N373 K378	A359-Y376 VanDerWaalsContact C-CE1 3.45Å; A359-Y376 HydrophobicContact CB-CE2 3.99Å; A359-Y376 WeakPolarHBondContact CB-OH 3.3Å; A359-Y376 WeakPolarHBondContact O-CE1 3.44Å; A359-Y376 VanDerWaalsContact O-CZ 3.26Å; A359-Y376 PolarHBondContact O-OH 3.02Å; G360-Y376 VanDerWaalsContact CA-CB 3.47Å; G360-Y376 VanDerWaalsContact CA-CD2 3.45Å; G360-Y376 VanDerWaalsContact N-CE2 3.35Å; G360-Y376 VanDerWaalsContact N-CZ 3.31Å; N373-Y376 VanDerWaalsContact O-CB 3.3Å; N373-Y376 WeakPolarHBondContact O-CB 3.45Å; N373-Y376 PolarHBondContact O-N 3.15Å; N373-Y376 PolarHBondContact OD1-N 3.12Å; Y376-K378 PolarHBondContact O-N 3.23Å
377	K	56.6	Low	52.5	Low	102 Å²	102	85.4 Å²	85.4	44%	0.443	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	23.6	-174.4	-60.9	171.6	170.8	-178.7	0	112.8	A375	A375-K377 PolarHBondContact O-N 2.86Å
378	K	46.7	Very low	51.3	Low	132 Å²	132	81 Å²	81	57%	0.574	45%	0.45	S	S	*	.	S	Bend	trans	-117.7	149.5	166.7	-55.6	-164.6	-164.2	161.7	0	107.4	L374 A375 Y376 A380	L374-K378 WeakPolarHBondContact O-CD 2.93Å; L374-K378 VanDerWaalsContact O-CE 3.27Å; L374-K378 WeakPolarHBondContact O-CE 3.33Å; L374-K378 PolarHBondContact O-NZ 2.8Å; A375-K378 PolarHBondContact O-N 3.26Å; Y376-K378 PolarHBondContact O-N 3.23Å; K378-A380 PolarHBondContact O-N 3Å; K378-A380 VanDerWaalsContact O-N 3.1Å
379	N	44.5	Very low	50	Low	128 Å²	128	88.7 Å²	88.7	68%	0.684	48%	0.483	S	S	*	.			trans	-66	116	177.3	-61.1	6.4	0	0	0	107.6
380	A	39.2	Very low	48.5	Very low	55 Å²	55	94.5 Å²	94.5	46%	0.455	50%	0.499	S	S	.	.			trans	-85.2	132.3	-179.9	0	0	0	0	0	109	A375 K378 L382	A375-A380 HydrophobicContact CB-CB 4.29Å; K378-A380 PolarHBondContact O-N 3Å; K378-A380 VanDerWaalsContact O-N 3.1Å; A380-L382 PolarHBondContact O-N 2.91Å
381	W	37.6	Very low	46.8	Very low	121 Å²	121	103.1 Å²	103.1	46%	0.458	54%	0.536	S	S	.	.	S	Bend	trans	-57.2	92.6	172.1	-75	89	0	0	0	111.9	L478 A479 V480	W381-L478 HydrophobicContact CH2-CB 4.2Å; W381-L478 HydrophobicContact CH2-CD2 3.75Å; W381-L478 HydrophobicContact CZ2-CB 3.35Å; W381-L478 HydrophobicContact CZ2-CD2 3.66Å; W381-L478 HydrophobicContact CZ2-CG 4.02Å; W381-L478 VanDerWaalsContact CZ2-O 3.29Å; W381-L478 WeakPolarHBondContact CZ2-O 3.07Å; W381-L478 PolarHBondContact NE1-O 3.09Å; W381-A479 HydrophobicContact CD2-CB 4.16Å; W381-A479 HydrophobicContact CG-CB 4.14Å; W381-V480 HydrophobicContact CE3-CB 3.73Å; W381-V480 HydrophobicContact CE3-CG2 3.83Å; W381-V480 HydrophobicContact CH2-CG2 4.07Å; W381-V480 HydrophobicContact CZ3-CB 3.69Å; W381-V480 HydrophobicContact CZ3-CG2 3.21Å
382	L	31.5	Very low	44.9	Very low	157 Å²	157	111.8 Å²	111.8	82%	0.822	56%	0.563	S	S	*	*			trans	-145.7	23.1	170.8	-105.2	176.7	0	0	0	113.8	A380	A380-L382 PolarHBondContact O-N 2.91Å
383	T	35.4	Very low	43.1	Very low	37 Å²	37	117.1 Å²	117.1	23%	0.227	59%	0.589	C	S	.	*			trans	-142.2	120.2	-146.3	80.3	0	0	0	0	100.4	V480 D481 G482	T383-V480 CarbonylContact O-C 3.55Å; T383-V480 WeakPolarHBondContact O-CG1 2.88Å; T383-V480 PolarHBondContact OG1-O 3.35Å; T383-D481 CarbonylContact C-O 3.58Å; T383-D481 WeakPolarHBondContact CB-OD1 3.48Å; T383-D481 WeakPolarHBondContact CG2-OD1 3.4Å; T383-D481 CarbonylContact O-C 3.54Å; T383-D481 PolarHBondContact O-N 2.63Å; T383-D481 WeakPolarHBondContact OG1-CA 3.29Å; T383-D481 WeakPolarHBondContact OG1-CB 3.09Å; T383-D481 VanDerWaalsContact OG1-CG 3.28Å; T383-D481 PolarHBondContact OG1-N 3.25Å; T383-D481 VanDerWaalsContact OG1-N 3.08Å; T383-D481 PolarHBondContact OG1-OD1 2.92Å; T383-G482 VanDerWaalsContact C-CA 3.4Å; T383-G482 WeakPolarHBondContact CA-O 3.43Å; T383-G482 WeakPolarHBondContact CB-O 3.07Å; T383-G482 VanDerWaalsContact CG2-CA 3.47Å; T383-G482 WeakPolarHBondContact CG2-O 3.28Å; T383-G482 PolarHBondContact OG1-N 3.33Å
384	P	31.7	Very low	41.2	Very low	103 Å²	103	121.8 Å²	121.8	67%	0.669	61%	0.613	S	S	*	*			trans	-89.4	99.5	-175.6	32.9	-34.6	0	0	0	115	D481 G482	P384-D481 CarbonylContact C-O 3.4Å; P384-D481 VanDerWaalsContact CA-O 3.23Å; P384-D481 WeakPolarHBondContact CA-O 3.46Å; P384-G482 VanDerWaalsContact CD-CA 3.42Å; P384-G482 WeakPolarHBondContact CD-O 3.46Å; P384-G482 VanDerWaalsContact N-CA 3.31Å
385	E	37.3	Very low	39.5	Very low	102 Å²	102	124.4 Å²	124.4	48%	0.477	62%	0.622	S	S	.	*			trans	-115.2	116.7	-177.5	-105.6	176.1	-167.9	0	0	105.3	S387 V480 D481	E385-S387 PolarHBondContact O-N 3.3Å; E385-V480 HydrophobicContact CB-CG1 3.88Å; E385-D481 WeakPolarHBondContact CA-O 3.49Å; E385-D481 WeakPolarHBondContact CB-O 3.2Å; E385-D481 VanDerWaalsContact CD-CA 3.44Å; E385-D481 HydrophobicContact CG-CB 4.11Å; E385-D481 WeakPolarHBondContact CG-O 3.14Å; E385-D481 PolarHBondContact N-O 3.41Å; E385-D481 VanDerWaalsContact OE1-CB 3.28Å; E385-D481 WeakPolarHBondContact OE1-CB 3.34Å; E385-D481 WeakPolarHBondContact OE2-CB 3.18Å
386	S	37.9	Very low	38.3	Very low	136 Å²	136	129.8 Å²	129.8	95%	0.951	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	14.5	-176	52.5	0	0	0	0	114.3
387	S	37.3	Very low	36.7	Very low	78 Å²	78	131.3 Å²	131.3	55%	0.545	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.3	10.3	-172.9	59	0	0	0	0	114.6	E385 H389	E385-S387 PolarHBondContact O-N 3.3Å; S387-H389 PolarHBondContact O-N 3.22Å
388	N	39.2	Very low	35.5	Very low	65 Å²	65	133.8 Å²	133.8	35%	0.348	69%	0.685	S	S	.	*			trans	-91.9	99.9	-179.9	-126.1	-1.1	0	0	0	113.2	R390 V480	N388-R390 PolarHBondContact O-N 3.02Å; N388-V480 HydrophobicContact CB-CG2 3.88Å; N388-V480 WeakPolarHBondContact ND2-CG2 3.29Å
389	H	40.9	Very low	34.9	Very low	186 Å²	186	137.4 Å²	137.4	86%	0.861	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	8.1	178.5	-74.3	-58.9	0	0	0	115.7	S387	S387-H389 PolarHBondContact O-N 3.22Å
390	R	35.8	Very low	34.3	Very low	163 Å²	163	135.2 Å²	135.2	62%	0.615	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	11.1	179.8	-75.5	-172.8	171.6	-157	0	115.4	N388 L477	N388-R390 PolarHBondContact O-N 3.02Å; R390-L477 VanDerWaalsContact NH2-CD1 3.33Å
391	K	36.1	Very low	33.7	Very low	188 Å²	188	137.5 Å²	137.5	82%	0.817	71%	0.713	S	S	*	*			trans	-105.2	22.3	172.6	-104.9	-173.9	-179	-178.4	0	115.1
392	R	32	Very low	33.4	Very low	229 Å²	229	143 Å²	143	86%	0.864	73%	0.734	S	S	*	*			trans	-93.8	91	157.4	-83.6	-176.5	-179.3	168.5	0.3	107.5
393	N	30	Very low	33.3	Very low	160 Å²	160	139.6 Å²	139.6	86%	0.856	72%	0.723	S	S	*	*			trans	163.5	65.2	153.7	-80.5	-11.5	0	0	0	108.7
394	L	30.4	Very low	33.2	Very low	161 Å²	161	147 Å²	147	84%	0.843	76%	0.755	S	S	*	*			trans	-145.6	98.4	156.7	-97.2	148.1	0	0	0	104.6
395	Q	31.4	Very low	33.1	Very low	183 Å²	183	145.1 Å²	145.1	86%	0.855	75%	0.754	S	S	*	*			trans	-61	127.1	161.2	-80.2	171.7	-33.4	0	0	106.7
396	D	32	Very low	32.7	Very low	158 Å²	158	149.8 Å²	149.8	85%	0.845	77%	0.773	S	S	*	*			trans	-162.8	91.5	140.9	-92.9	-23.2	0	0	0	107.7
397	S	27.8	Very low	32.2	Very low	114 Å²	114	149.1 Å²	149.1	80%	0.797	76%	0.763	S	S	*	*			trans	-86.1	100.6	159.7	51.7	0	0	0	0	107.3
398	D	31.2	Very low	32	Very low	154 Å²	154	151.1 Å²	151.1	82%	0.824	78%	0.777	S	S	*	*			trans	-153	97.4	156.1	-98	-25.9	0	0	0	110.6
399	K	33.1	Very low	31.4	Very low	208 Å²	208	154.8 Å²	154.8	90%	0.904	79%	0.792	S	S	*	*			trans	-139.9	90.1	144.7	-90.9	-168.7	-179.3	177	0	109.6
400	A	31.7	Very low	31.1	Very low	82 Å²	82	151.8 Å²	151.8	68%	0.678	79%	0.789	S	S	*	*				32.2	108.3	122.9	0	0	0	0	0	118.3
401	S	28.2	Very low	30.7	Very low	102 Å²	102	153 Å²	153	71%	0.713	79%	0.794	S	S	*	*				92.5	130.6	114.8	75.7	0	0	0	0	120.2
402	R	30.9	Very low	30.3	Very low	238 Å²	238	150.8 Å²	150.8	90%	0.898	79%	0.791	S	S	*	*			trans	86	135.5	158.8	-60.5	179.4	178.3	-178.2	-1.2	116.5
403	S	28.5	Very low	30.2	Very low	85 Å²	85	146.2 Å²	146.2	59%	0.594	79%	0.788	S	S	*	*			cis	174	145.7	-16.5	45.2	0	0	0	0	106.2
404	H	33	Very low	30.4	Very low	193 Å²	193	146.1 Å²	146.1	89%	0.894	79%	0.786	S	S	*	*			trans	68.8	137.1	166.1	-57.9	-67.4	0	0	0	116.9
405	G	30.1	Very low	30.3	Very low	63 Å²	63	145.5 Å²	145.5	65%	0.649	78%	0.783	S	S	*	*			cis	170.6	159.1	2.9	0	0	0	0	0	109.5
406	F	30.3	Very low	30.5	Very low	200 Å²	200	142.1 Å²	142.1	88%	0.877	78%	0.777	S	S	*	*			trans	67.6	97.2	155.4	-84.8	-97.7	0	0	0	121.2
407	T	26.6	Very low	30.4	Very low	121 Å²	121	143.8 Å²	143.8	74%	0.742	78%	0.78	S	S	*	*				22.7	124.9	121.5	59.1	0	0	0	0	120.5
408	S	32.7	Very low	30.3	Very low	120 Å²	120	145.8 Å²	145.8	84%	0.839	78%	0.781	S	S	*	*				-163.3	109.9	128.7	58.5	0	0	0	0	111.4
409	E	27.4	Very low	30.5	Very low	143 Å²	143	143.8 Å²	143.8	67%	0.668	78%	0.777	S	S	*	*			trans	-73.9	158.6	150.8	-101.6	-164.8	175.8	0	0	109.3	R411	E409-R411 WeakPolarHBondContact OE2-CG 3.21Å; E409-R411 IonicContact OE2-CZ 3.73Å; E409-R411 IonicContact OE2-NE 3.67Å; E409-R411 PolarHBondContact OE2-NE 3.12Å
410	P	34.5	Very low	30.3	Very low	122 Å²	122	138.7 Å²	138.7	79%	0.792	77%	0.767	S	S	*	*				-136	137	80.4	30	-10.8	0	0	0	112.8
411	R	27.2	Very low	30.3	Very low	190 Å²	190	143.3 Å²	143.3	72%	0.717	78%	0.775	S	S	*	*				45.5	139.3	79.3	-78.7	-174.3	-166.3	-154.7	-3.2	113.8	E409	E409-R411 WeakPolarHBondContact OE2-CG 3.21Å; E409-R411 IonicContact OE2-CZ 3.73Å; E409-R411 IonicContact OE2-NE 3.67Å; E409-R411 PolarHBondContact OE2-NE 3.12Å
412	N	27.5	Very low	30.2	Very low	141 Å²	141	146.9 Å²	146.9	75%	0.754	78%	0.778	S	S	*	*			cis	175.4	-167.8	-14.8	-117.1	-2.7	0	0	0	103.9
413	V	29.8	Very low	30.2	Very low	132 Å²	132	143.6 Å²	143.6	80%	0.8	77%	0.772	S	S	*	*			trans	91.5	121	157.2	-153.1	0	0	0	0	111.2
414	I	34.2	Very low	30.2	Very low	159 Å²	159	149 Å²	149	82%	0.815	78%	0.781	S	S	*	*				-154.8	119.9	50.3	-68.7	161.2	0	0	0	112
415	D	27.8	Very low	29.7	Very low	148 Å²	148	145.6 Å²	145.6	79%	0.791	77%	0.774	S	S	*	*			trans	-63.3	173.2	154.5	-88.2	-35.2	0	0	0	111.5
416	P	36.1	Very low	29.7	Very low	112 Å²	112	151 Å²	151	73%	0.727	78%	0.782	S	S	*	*			cis	-160.1	163.7	49.7	38.3	-13.1	0	0	0	119.6
417	E	29.7	Very low	29.7	Very low	193 Å²	193	147 Å²	147	90%	0.902	77%	0.771	S	S	*	*				172	126.8	113	-91.7	-176.2	-179.3	0	0	111.5
418	N	26.7	Very low	29.8	Very low	155 Å²	155	148.8 Å²	148.8	83%	0.829	77%	0.77	S	S	*	*			trans	-149.5	148.6	171.8	-148.8	12.1	0	0	0	103.7
419	P	35.6	Very low	29.5	Very low	112 Å²	112	153.8 Å²	153.8	73%	0.727	77%	0.771	S	S	*	*				-162.1	157.6	82.7	39.2	-17.1	0	0	0	116.9
420	S	27.7	Very low	29.7	Very low	101 Å²	101	152.2 Å²	152.2	71%	0.706	77%	0.773	S	S	*	*				137.3	141.1	107.5	61.1	0	0	0	0	107.3
421	H	32.2	Very low	29.6	Very low	179 Å²	179	151.7 Å²	151.7	83%	0.829	77%	0.77	S	S	*	*				-163.7	154.4	50.6	-134	-83.2	0	0	0	111.7
422	F	26	Very low	29.5	Very low	177 Å²	177	150.6 Å²	150.6	78%	0.776	78%	0.775	S	S	*	*			trans	-66	154.8	177.6	-86.2	-109.6	0	0	0	115.7
423	Q	29.8	Very low	29.3	Very low	169 Å²	169	151.4 Å²	151.4	79%	0.79	78%	0.778	S	S	*	*				173.4	128.7	103.8	-88.4	-166.8	-33.1	0	0	115.3
424	Y	28.7	Very low	29	Very low	200 Å²	200	148.5 Å²	148.5	78%	0.784	77%	0.768	S	S	*	*			trans	57.4	146.9	139.6	-74.9	-86.5	0	0	0	126.3
425	T	23.8	Very low	28.6	Very low	121 Å²	121	149.1 Å²	149.1	74%	0.742	77%	0.767	S	S	*	*			trans	-91	151.5	-166.7	48.8	0	0	0	0	115.1
426	E	30.2	Very low	28.4	Very low	175 Å²	175	149.5 Å²	149.5	82%	0.818	76%	0.764	S	S	*	*				-171.8	123.9	123.4	-136.2	165.5	172.4	0	0	116.4
427	N	29.8	Very low	28	Very low	118 Å²	118	154.4 Å²	154.4	63%	0.631	77%	0.768	S	S	*	*			trans	38.4	125	145.2	-68.5	-34.7	0	0	0	127.3
428	Q	28.1	Very low	28	Very low	157 Å²	157	151.7 Å²	151.7	73%	0.734	76%	0.758	S	S	*	*				63.6	127	129.6	-62.5	-173.7	16.7	0	0	119.1
429	R	26.2	Very low	28.1	Very low	225 Å²	225	153.5 Å²	153.5	85%	0.849	75%	0.754	S	S	*	*			cis	-166.7	169.2	37	-116.7	177.3	-163.6	-174.7	4.5	109.9
430	P	31.3	Very low	27.8	Very low	111 Å²	111	152.9 Å²	152.9	72%	0.721	74%	0.744	S	S	*	*			trans	-92.3	-172.2	-158.7	43.7	-40.3	0	0	0	112.5
431	P	32.1	Very low	27.9	Very low	111 Å²	111	153.5 Å²	153.5	72%	0.721	74%	0.739	S	S	*	*			cis	-143.9	-170.6	18.1	38.2	-14	0	0	0	116.7
432	M	26	Very low	27.8	Very low	166 Å²	166	149.9 Å²	149.9	82%	0.818	73%	0.73	S	S	*	*			trans	102.5	105.4	165.4	-58.6	-82.8	-176	0	0	117.1
433	L	24.5	Very low	27.9	Very low	158 Å²	158	147.1 Å²	147.1	83%	0.827	73%	0.727	S	S	*	*			trans	41.1	106.9	143.8	-77.5	154.5	0	0	0	120.5
434	A	23.2	Very low	27.9	Very low	72 Å²	72	146.2 Å²	146.2	60%	0.595	73%	0.728	S	S	*	*			trans	32.4	113.5	133.5	0	0	0	0	0	118.8
435	H	24.6	Very low	27.8	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.796	72%	0.717	S	S	*	*				165.9	132	102.4	-90.7	-66.9	0	0	0	109
436	H	24.9	Very low	27.9	Very low	156 Å²	156	142.1 Å²	142.1	72%	0.722	72%	0.721	S	S	*	*			trans	-153.2	122.3	142.6	-89.2	-49.3	0	0	0	107.1
437	R	26.3	Very low	27.7	Very low	214 Å²	214	137 Å²	137	81%	0.808	71%	0.709	S	S	*	*				53.8	144.6	76.3	-85.1	-171.9	176.6	155.1	0.3	110.6
438	I	30.3	Very low	27.4	Very low	137 Å²	137	140.2 Å²	140.2	70%	0.703	72%	0.717	S	S	*	*			trans	167.9	131.1	130.1	-87.8	154.4	0	0	0	103.4
439	R	28.8	Very low	27.2	Very low	193 Å²	193	140.2 Å²	140.2	73%	0.728	72%	0.715	S	S	*	*			cis	165.9	163.6	18.4	-106.6	-174.9	137.8	146	-4.6	101.7
440	D	29.7	Very low	27.1	Very low	98 Å²	98	137.6 Å²	137.6	52%	0.524	71%	0.71	S	S	.	*			cis	170.9	167.1	26.6	-110.6	-4.6	0	0	0	102.5
441	N	29.7	Very low	26.8	Very low	114 Å²	114	136.6 Å²	136.6	61%	0.61	71%	0.705	S	S	*	*			cis	179.6	161.2	17.7	-109	-16.4	0	0	0	103
442	T	30.4	Very low	26.5	Very low	103 Å²	103	139 Å²	139	63%	0.632	71%	0.713	S	S	*	*			cis	-179.2	142.5	19.2	18.6	0	0	0	0	108
443	V	28.2	Very low	26.5	Very low	119 Å²	119	138.5 Å²	138.5	72%	0.721	71%	0.711	S	S	*	*				76	130.7	129.6	178.2	0	0	0	0	117.1
444	N	28.5	Very low	27.1	Very low	150 Å²	150	136.2 Å²	136.2	80%	0.802	71%	0.706	S	S	*	*			cis	-158.1	177.4	28.5	-128.7	-10.3	0	0	0	114.1
445	S	26.3	Very low	27.2	Very low	79 Å²	79	139.3 Å²	139.3	55%	0.552	71%	0.712	S	S	*	*			trans	-98.6	172.1	-153.3	56.3	0	0	0	0	120.1
446	N	26.7	Very low	27.3	Very low	157 Å²	157	142.5 Å²	142.5	84%	0.84	72%	0.717	S	S	*	*			trans	87.4	144.2	152.6	-58.2	-23.1	0	0	0	118
447	A	26	Very low	27.3	Very low	66 Å²	66	140.2 Å²	140.2	55%	0.545	72%	0.719	S	S	.	*			cis	-177	161.6	-13.9	0	0	0	0	0	108.5
448	F	23.7	Very low	27.6	Very low	186 Å²	186	135.3 Å²	135.3	82%	0.816	72%	0.715	S	S	*	*			trans	72.9	148	164.2	-56.1	-72.8	0	0	0	117.5
449	K	23.1	Very low	27.5	Very low	158 Å²	158	135.2 Å²	135.2	69%	0.687	72%	0.72	S	S	*	*			cis	-176.1	159.3	13.3	-126.4	164.4	175.5	-179.5	0	110.2
450	F	25.8	Very low	27.4	Very low	170 Å²	170	133.7 Å²	133.7	75%	0.746	73%	0.727	S	S	*	*			trans	78	108.6	149.6	-70.8	-62.8	0	0	0	124.7
451	S	23.1	Very low	27.3	Very low	89 Å²	89	132.5 Å²	132.5	62%	0.622	74%	0.738	S	S	*	*				23.1	136.1	126.1	62.5	0	0	0	0	123.3
452	N	26.4	Very low	27.1	Very low	163 Å²	163	136.5 Å²	136.5	87%	0.872	76%	0.755	S	S	*	*				-159.7	142.6	121.9	-96.4	-16	0	0	0	112.1
453	I	26.9	Very low	27	Very low	154 Å²	154	139.6 Å²	139.6	79%	0.79	77%	0.766	S	S	*	*			trans	-128.4	177.9	176.5	-45.5	171.2	0	0	0	106.1
454	P	36.7	Very low	26.9	Very low	110 Å²	110	140.9 Å²	140.9	71%	0.714	77%	0.769	S	S	*	*				-115.5	-164.1	-78.6	37.1	-20.3	0	0	0	112.8
455	L	24.7	Very low	26.8	Very low	138 Å²	138	141.7 Å²	141.7	72%	0.723	77%	0.768	S	S	*	*			trans	145.3	136	132.9	-154	74.2	0	0	0	106.2
456	W	26.5	Very low	26.6	Very low	238 Å²	238	146.7 Å²	146.7	90%	0.902	78%	0.782	S	S	*	*				-151.2	159.1	52.7	-73.5	33.2	0	0	0	111.4
457	S	24.6	Very low	26.7	Very low	109 Å²	109	147.4 Å²	147.4	76%	0.762	78%	0.778	S	S	*	*			trans	-107.7	-159	-166.5	49.2	0	0	0	0	113
458	P	33.9	Very low	26.6	Very low	111 Å²	111	150.6 Å²	150.6	72%	0.721	79%	0.791	S	S	*	*				-131.5	164.6	-74.9	38.1	-22.1	0	0	0	114.2
459	V	28.2	Very low	26.6	Very low	135 Å²	135	145.5 Å²	145.5	82%	0.818	79%	0.791	S	S	*	*			trans	-152.9	119.2	147.8	178.2	0	0	0	0	112.1
460	N	26.5	Very low	26.6	Very low	161 Å²	161	146.8 Å²	146.8	86%	0.861	80%	0.799	S	S	*	*			trans	26.6	130.8	146.3	-60.9	-20.3	0	0	0	122.9
461	G	26.5	Very low	26.9	Very low	73 Å²	73	144.3 Å²	144.3	75%	0.753	80%	0.803	S	S	*	*			trans	157.4	81.8	146.6	0	0	0	0	0	116.9
462	M	26.8	Very low	27	Very low	197 Å²	197	145.8 Å²	145.8	97%	0.97	81%	0.813	S	S	*	*			trans	66.6	105.7	157.8	-63.8	-173.4	141.4	0	0	119.1
463	I	28.4	Very low	27.1	Very low	168 Å²	168	144.7 Å²	144.7	86%	0.862	81%	0.807	S	S	*	*			trans	-94.5	136.5	172.1	-66	168.9	0	0	0	109.7
464	N	25.5	Very low	27.3	Very low	147 Å²	147	140.8 Å²	140.8	79%	0.786	81%	0.805	S	S	*	*			trans	-16.1	125.1	159.7	-68.1	-25	0	0	0	117.7
465	E	26.6	Very low	27	Very low	167 Å²	167	142.8 Å²	142.8	78%	0.78	81%	0.807	S	S	*	*			trans	-83	108.2	151.6	-80.5	-169.5	155.7	0	0	109.8	F467	E465-F467 HydrophobicContact CB-CD2 4.2Å; E465-F467 HydrophobicContact CG-CE2 4.34Å
466	Q	22.9	Very low	27.2	Very low	184 Å²	184	140.5 Å²	140.5	86%	0.86	81%	0.808	S	S	*	*			trans	-77.8	114.9	152.6	-78.7	173.7	-33.8	0	0	107.8
467	F	27.3	Very low	27.3	Very low	171 Å²	171	133.6 Å²	133.6	75%	0.75	79%	0.788	S	S	*	*			trans	-112.1	121.6	161.9	-94.7	-77.6	0	0	0	110.9	E465 G469	E465-F467 HydrophobicContact CB-CD2 4.2Å; E465-F467 HydrophobicContact CG-CE2 4.34Å; F467-G469 PolarHBondContact O-N 3.01Å
468	V	24	Very low	27.4	Very low	134 Å²	134	133.6 Å²	133.6	81%	0.812	78%	0.779	S	S	*	*			trans	-53.4	120.7	173.5	175.2	0	0	0	0	110.6
469	G	23.8	Very low	27	Very low	79 Å²	79	130.9 Å²	130.9	81%	0.814	77%	0.766	S	S	*	*			trans	-116.4	95.6	168.5	0	0	0	0	0	110.3	F467	F467-G469 PolarHBondContact O-N 3.01Å
470	E	24.4	Very low	27.1	Very low	185 Å²	185	125.8 Å²	125.8	86%	0.864	74%	0.735	S	S	*	*			trans	-121.4	108.7	161.7	-98.7	-174	164.9	0	0	108.1
471	S	31	Very low	27.2	Very low	118 Å²	118	120.9 Å²	120.9	83%	0.825	71%	0.708	S	S	*	*				-170.2	127.8	106	64.4	0	0	0	0	109.5
472	S	26.2	Very low	27.1	Very low	119 Å²	119	117.9 Å²	117.9	83%	0.832	68%	0.678	S	S	*	*			trans	-53.3	124.5	173.9	52	0	0	0	0	112.6
473	D	28.6	Very low	27	Very low	140 Å²	140	119 Å²	119	75%	0.749	67%	0.672	S	S	*	*			trans	-100.1	103.3	161.1	-149.9	-4.6	0	0	0	108.4	M475	D473-M475 PolarHBondContact O-N 3.34Å
474	G	30.1	Very low	26.8	Very low	72 Å²	72	117.6 Å²	117.6	74%	0.742	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	16.5	-169.4	0	0	0	0	0	115.9
475	M	31.3	Very low	26.7	Very low	153 Å²	153	113 Å²	113	75%	0.754	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	1.5	-173.9	-74.2	-69.1	-80	0	0	114.4	D473 L477	D473-M475 PolarHBondContact O-N 3.34Å; M475-L477 PolarHBondContact O-N 3.37Å
476	A	28.2	Very low	26.8	Very low	90 Å²	90	114.6 Å²	114.6	74%	0.744	67%	0.666	S	S	*	*	S	Bend	trans	-89.7	10.3	-175.7	0	0	0	0	0	115.4
477	L	29.3	Very low	26.9	Very low	92 Å²	92	114.2 Å²	114.2	48%	0.482	66%	0.664	S	S	.	*	S	Bend	trans	-111.9	24.2	-172.7	-85.9	147.3	0	0	0	114.2	R390 M475	R390-L477 VanDerWaalsContact NH2-CD1 3.33Å; M475-L477 PolarHBondContact O-N 3.37Å
478	L	26.3	Very low	26.9	Very low	109 Å²	109	113.1 Å²	113.1	57%	0.571	67%	0.665	S	S	*	*			trans	-150.3	84	-165.4	-83.1	-173.3	0	0	0	107.8	W381	W381-L478 HydrophobicContact CH2-CB 4.2Å; W381-L478 HydrophobicContact CH2-CD2 3.75Å; W381-L478 HydrophobicContact CZ2-CB 3.35Å; W381-L478 HydrophobicContact CZ2-CD2 3.66Å; W381-L478 HydrophobicContact CZ2-CG 4.02Å; W381-L478 VanDerWaalsContact CZ2-O 3.29Å; W381-L478 WeakPolarHBondContact CZ2-O 3.07Å; W381-L478 PolarHBondContact NE1-O 3.09Å
479	A	26	Very low	26.9	Very low	55 Å²	55	113.5 Å²	113.5	46%	0.455	66%	0.661	S	S	.	*			trans	-165.3	125.9	154.1	0	0	0	0	0	112.4	W381	W381-A479 HydrophobicContact CD2-CB 4.16Å; W381-A479 HydrophobicContact CG-CB 4.14Å
480	V	29.1	Very low	27.2	Very low	27 Å²	27	118.1 Å²	118.1	16%	0.164	67%	0.667	C	S	.	*			trans	-112.6	133.5	179.4	178.8	0	0	0	0	109.5	W381 T383 E385 N388	W381-V480 HydrophobicContact CE3-CB 3.73Å; W381-V480 HydrophobicContact CE3-CG2 3.83Å; W381-V480 HydrophobicContact CH2-CG2 4.07Å; W381-V480 HydrophobicContact CZ3-CB 3.69Å; W381-V480 HydrophobicContact CZ3-CG2 3.21Å; T383-V480 CarbonylContact O-C 3.55Å; T383-V480 WeakPolarHBondContact O-CG1 2.88Å; T383-V480 PolarHBondContact OG1-O 3.35Å; E385-V480 HydrophobicContact CB-CG1 3.88Å; N388-V480 HydrophobicContact CB-CG2 3.88Å; N388-V480 WeakPolarHBondContact ND2-CG2 3.29Å
481	D	28.3	Very low	27.3	Very low	58 Å²	58	117.6 Å²	117.6	31%	0.31	66%	0.661	S	S	.	*			trans	-60.8	141	165.4	-68.8	-45.1	0	0	0	124	T383 P384 E385	T383-D481 CarbonylContact C-O 3.58Å; T383-D481 WeakPolarHBondContact CB-OD1 3.48Å; T383-D481 WeakPolarHBondContact CG2-OD1 3.4Å; T383-D481 CarbonylContact O-C 3.54Å; T383-D481 PolarHBondContact O-N 2.63Å; T383-D481 WeakPolarHBondContact OG1-CA 3.29Å; T383-D481 WeakPolarHBondContact OG1-CB 3.09Å; T383-D481 VanDerWaalsContact OG1-CG 3.28Å; T383-D481 PolarHBondContact OG1-N 3.25Å; T383-D481 VanDerWaalsContact OG1-N 3.08Å; T383-D481 PolarHBondContact OG1-OD1 2.92Å; P384-D481 CarbonylContact C-O 3.4Å; P384-D481 VanDerWaalsContact CA-O 3.23Å; P384-D481 WeakPolarHBondContact CA-O 3.46Å; E385-D481 WeakPolarHBondContact CA-O 3.49Å; E385-D481 WeakPolarHBondContact CB-O 3.2Å; E385-D481 VanDerWaalsContact CD-CA 3.44Å; E385-D481 HydrophobicContact CG-CB 4.11Å; E385-D481 WeakPolarHBondContact CG-O 3.14Å; E385-D481 PolarHBondContact N-O 3.41Å; E385-D481 VanDerWaalsContact OE1-CB 3.28Å; E385-D481 WeakPolarHBondContact OE1-CB 3.34Å; E385-D481 WeakPolarHBondContact OE2-CB 3.18Å
482	G	25	Very low	27.2	Very low	11 Å²	11	118.8 Å²	118.8	11%	0.113	66%	0.658	C	S	.	*			trans	149.3	112.1	171.6	0	0	0	0	0	121.8	T383 P384	T383-G482 VanDerWaalsContact C-CA 3.4Å; T383-G482 WeakPolarHBondContact CA-O 3.43Å; T383-G482 WeakPolarHBondContact CB-O 3.07Å; T383-G482 VanDerWaalsContact CG2-CA 3.47Å; T383-G482 WeakPolarHBondContact CG2-O 3.28Å; T383-G482 PolarHBondContact OG1-N 3.33Å; P384-G482 VanDerWaalsContact CD-CA 3.42Å; P384-G482 WeakPolarHBondContact CD-O 3.46Å; P384-G482 VanDerWaalsContact N-CA 3.31Å
483	W	25	Very low	27.3	Very low	221 Å²	221	117.9 Å²	117.9	84%	0.837	65%	0.652	S	S	*	*				74.1	124.2	118.8	-107.4	63.9	0	0	0	124.4
484	T	24.3	Very low	27.3	Very low	137 Å²	137	117.2 Å²	117.2	84%	0.84	65%	0.653	S	S	*	*				-156.1	123.7	120.8	42.3	0	0	0	0	108.3
485	G	24	Very low	27	Very low	52 Å²	52	121.7 Å²	121.7	54%	0.536	66%	0.66	S	S	.	*				72.9	127.3	104.3	0	0	0	0	0	113.4
486	E	27.1	Very low	26.9	Very low	200 Å²	200	118.9 Å²	118.9	94%	0.935	66%	0.655	S	S	*	*			cis	-158.3	173.9	33.5	-95.4	-174.1	154.1	0	0	113.5
487	E	24.7	Very low	26.8	Very low	176 Å²	176	120.4 Å²	120.4	82%	0.822	66%	0.655	S	S	*	*			trans	-65.5	162.7	-165.7	-57.5	177.8	141.9	0	0	117.4
488	I	27.4	Very low	26.7	Very low	148 Å²	148	126.7 Å²	126.7	76%	0.759	67%	0.672	S	S	*	*				-167.5	130.3	97.5	-87.5	160.3	0	0	0	112.4
489	L	25.3	Very low	26.9	Very low	141 Å²	141	126.4 Å²	126.4	74%	0.738	68%	0.679	S	S	*	*			trans	50.3	113.8	147.6	-62.5	168.2	0	0	0	122.7
490	L	29.7	Very low	27.3	Very low	177 Å²	177	128.6 Å²	128.6	93%	0.927	69%	0.691	S	S	*	*				-170.2	149.9	101.5	-108.2	137.3	0	0	0	112.9
491	K	26.9	Very low	27.2	Very low	174 Å²	174	134.2 Å²	134.2	76%	0.757	72%	0.716	S	S	*	*			trans	-85.7	165.5	-158.3	-77.5	170.5	162.6	172.7	0	116.6
492	N	29.2	Very low	27.3	Very low	142 Å²	142	141.1 Å²	141.1	76%	0.759	74%	0.737	S	S	*	*			trans	103.1	95.6	154.5	-62	-12.2	0	0	0	115.4
493	S	26.8	Very low	27.4	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	77%	0.768	S	S	*	*				54.1	117.8	86.4	75.1	0	0	0	0	113
494	T	29.6	Very low	27.4	Very low	125 Å²	125	144.1 Å²	144.1	77%	0.767	76%	0.764	S	S	*	*				-164.9	128.2	62	44.8	0	0	0	0	110.4
495	L	24	Very low	27.6	Very low	167 Å²	167	143.6 Å²	143.6	87%	0.874	76%	0.756	S	S	*	*				60	105.3	93	-103.8	142.2	0	0	0	117.3
496	S	29.1	Very low	27.8	Very low	93 Å²	93	148.1 Å²	148.1	65%	0.65	77%	0.768	S	S	*	*				160	119.3	112.1	99.7	0	0	0	0	110.9
497	T	25.1	Very low	28.1	Very low	123 Å²	123	143 Å²	143	76%	0.755	76%	0.759	S	S	*	*				60.4	134.7	108.2	68.1	0	0	0	0	114.8
498	R	28.3	Very low	28.7	Very low	224 Å²	224	139.6 Å²	139.6	85%	0.845	75%	0.753	S	S	*	*			cis	-177.4	149.6	27.2	-150.8	175.9	177.9	171.6	-2.7	108.8
499	S	30.1	Very low	28.8	Very low	102 Å²	102	138.8 Å²	138.8	71%	0.713	75%	0.75	S	S	*	*			trans	50.3	147.4	145.3	56.7	0	0	0	0	121.6
500	S	34	Very low	28.9	Very low	101 Å²	101	138.3 Å²	138.3	71%	0.706	75%	0.748	S	S	*	*			cis	-170.3	142.6	-7.7	56.6	0	0	0	0	108.4
501	E	28.4	Very low	29	Very low	146 Å²	146	138.5 Å²	138.5	68%	0.682	74%	0.741	S	S	*	*			trans	36.9	120.8	142.8	-68.8	-166.1	125.8	0	0	124.3
502	R	29.9	Very low	29.2	Very low	202 Å²	202	137.2 Å²	137.2	76%	0.762	74%	0.738	S	S	*	*				85.8	104.4	124.3	-69.1	-177.6	-161.2	-161.8	7.7	122.3
503	L	26.6	Very low	29.1	Very low	144 Å²	144	136.8 Å²	136.8	75%	0.754	74%	0.735	S	S	*	*				56.7	120.3	111.8	-79.1	157.7	0	0	0	122.2
504	M	24.6	Very low	29.4	Very low	152 Å²	152	138.2 Å²	138.2	75%	0.749	74%	0.739	S	S	*	*			trans	88.8	96.5	134.8	-80.7	179.3	-180	0	0	120.4
505	N	28.7	Very low	29.3	Very low	126 Å²	126	138.6 Å²	138.6	67%	0.674	74%	0.737	S	S	*	*				85.3	126.5	108.9	-77.7	22.9	0	0	0	121.3
506	D	28.5	Very low	29.7	Very low	147 Å²	147	137.5 Å²	137.5	79%	0.786	73%	0.732	S	S	*	*			trans	94.2	112.9	140.3	-54.7	-19.7	0	0	0	119.1
507	A	32.6	Very low	29.8	Very low	92 Å²	92	137.6 Å²	137.6	76%	0.76	73%	0.733	S	S	*	*			trans	-67.1	-167.4	177.6	0	0	0	0	0	111.6
508	P	37.7	Very low	30.2	Very low	105 Å²	105	138.9 Å²	138.9	68%	0.682	73%	0.734	S	S	*	*			cis	-151.4	-174.6	16.4	39.5	-14.7	0	0	0	118.2
509	D	30.3	Very low	30.2	Very low	130 Å²	130	134.8 Å²	134.8	70%	0.695	73%	0.729	S	S	*	*			trans	117.5	108	136.2	-78.9	-14.2	0	0	0	121.4
510	N	27.8	Very low	30.2	Very low	131 Å²	131	139.4 Å²	139.4	70%	0.701	74%	0.736	S	S	*	*				71	115.5	127.6	-67.9	-33.3	0	0	0	120.9
511	K	31.2	Very low	29.9	Very low	181 Å²	181	144 Å²	144	79%	0.787	74%	0.743	S	S	*	*				-176.1	130.7	97	-96.3	175.8	-175.8	176	0	114.1
512	Q	30.6	Very low	29.8	Very low	148 Å²	148	142.9 Å²	142.9	69%	0.692	75%	0.747	S	S	*	*			trans	85.3	113.2	131.4	-75.2	-177	-18.6	0	0	122.9
513	L	28.4	Very low	29.8	Very low	133 Å²	133	139.6 Å²	139.6	70%	0.696	74%	0.743	S	S	*	*				68.2	118.6	125.8	-66.9	156.1	0	0	0	115.5
514	T	32.9	Very low	30	Very low	130 Å²	130	140.6 Å²	140.6	80%	0.798	74%	0.744	S	S	*	*				-166.3	132.1	66	41.7	0	0	0	0	112.9
515	N	27.1	Very low	30	Very low	133 Å²	133	140.5 Å²	140.5	71%	0.711	75%	0.746	S	S	*	*			trans	18.6	147.4	142.6	-63.3	-1.9	0	0	0	124.6
516	D	31.4	Very low	30.1	Very low	145 Å²	145	140.7 Å²	140.7	78%	0.775	75%	0.752	S	S	*	*			trans	82.3	144.6	150.5	-60.1	-20.7	0	0	0	118.5
517	S	32.9	Very low	30	Very low	95 Å²	95	138.9 Å²	138.9	66%	0.664	75%	0.746	S	S	*	*			cis	-174.2	149.1	-29.1	52.4	0	0	0	0	106
518	L	32.4	Very low	29.8	Very low	149 Å²	149	143.6 Å²	143.6	78%	0.78	75%	0.752	S	S	*	*			trans	51.7	115.6	152.4	-96.1	83.4	0	0	0	123.1
519	N	28.2	Very low	29.3	Very low	139 Å²	139	143.2 Å²	143.2	74%	0.743	75%	0.748	S	S	*	*				59.8	109.4	125.1	-75.2	-17.6	0	0	0	121.2
520	K	31.2	Very low	29.2	Very low	198 Å²	198	143.2 Å²	143.2	86%	0.861	75%	0.753	S	S	*	*				177.5	120.8	103.2	-99.7	171.6	-179.3	173.6	0	113.2
521	K	27.1	Very low	29.1	Very low	197 Å²	197	146.3 Å²	146.3	86%	0.857	76%	0.76	S	S	*	*			trans	18.7	126.5	140	-66.7	-179.6	170.4	179.7	0	119.1
522	T	26.4	Very low	29	Very low	124 Å²	124	143.1 Å²	143.1	76%	0.761	76%	0.756	S	S	*	*				137.1	138.6	111.3	-33.9	0	0	0	0	112
523	I	29.1	Very low	29	Very low	133 Å²	133	142.3 Å²	142.3	68%	0.682	76%	0.761	S	S	*	*			trans	103.8	115.7	152.6	-53.2	-176.3	0	0	0	117
524	Q	30.3	Very low	29.2	Very low	164 Å²	164	144.9 Å²	144.9	77%	0.766	77%	0.769	S	S	*	*			trans	84.8	103.8	150.6	-78.2	161.5	7.6	0	0	121
525	N	25.7	Very low	29.3	Very low	150 Å²	150	147.1 Å²	147.1	80%	0.802	77%	0.768	S	S	*	*				63.2	154	121.4	-68.9	-9.1	0	0	0	121.5
526	V	29.4	Very low	29.9	Very low	131 Å²	131	145.3 Å²	145.3	79%	0.794	77%	0.766	S	S	*	*			trans	94.2	85.5	172	-165.5	0	0	0	0	112.8
527	V	26.6	Very low	30.7	Very low	109 Å²	109	141.7 Å²	141.7	66%	0.661	76%	0.756	S	S	*	*				60.9	103.6	85.7	-178.2	0	0	0	0	112.7
528	H	28.2	Very low	31.6	Very low	190 Å²	190	142.7 Å²	142.7	88%	0.88	75%	0.75	S	S	*	*			trans	-142.5	92	138.6	-101.9	-51.1	0	0	0	109.7	T530	H528-T530 PolarHBondContact O-N 3.04Å
529	T	27.7	Very low	33.2	Very low	98 Å²	98	141.1 Å²	141.1	60%	0.601	75%	0.749	S	S	*	*			trans	-58.4	119.9	160.9	37.7	0	0	0	0	110.1	F531	T529-F531 PolarHBondContact O-N 3.25Å
530	T	29	Very low	35.4	Very low	129 Å²	129	136.2 Å²	136.2	79%	0.791	73%	0.725	S	S	*	*			trans	-65.4	117	157.5	33.7	0	0	0	0	108.1	H528 V532	H528-T530 PolarHBondContact O-N 3.04Å; T530-V532 VanDerWaalsContact C-N 3.26Å; T530-V532 PolarHBondContact O-N 3.15Å
531	F	25.4	Very low	37.7	Very low	196 Å²	196	129.6 Å²	129.6	86%	0.86	70%	0.701	S	S	*	*			trans	-66.2	87.4	172.7	-77.3	-89.5	0	0	0	109.4	T529 T533	T529-F531 PolarHBondContact O-N 3.25Å; F531-T533 PolarHBondContact O-N 3.41Å
532	V	29.9	Very low	40.1	Very low	115 Å²	115	124 Å²	124	70%	0.697	68%	0.68	S	S	*	*			trans	-64.8	116.2	152.4	177.1	0	0	0	0	105.2	T530 Q534	T530-V532 VanDerWaalsContact C-N 3.26Å; T530-V532 PolarHBondContact O-N 3.15Å; V532-Q534 VanDerWaalsContact C-N 3.34Å; V532-Q534 PolarHBondContact O-N 3.42Å
533	T	28.7	Very low	42.6	Very low	131 Å²	131	118.6 Å²	118.6	80%	0.804	65%	0.646	S	S	*	*			trans	-51.8	102.4	165.2	44.1	0	0	0	0	107.8	F531 K535	F531-T533 PolarHBondContact O-N 3.41Å; T533-K535 PolarHBondContact O-N 3.04Å
534	Q	32.9	Very low	44.9	Very low	186 Å²	186	115.2 Å²	115.2	87%	0.869	63%	0.627	S	S	*	*			trans	-58.9	101.9	171.9	-88.7	175.9	-43.1	0	0	106.9	V532 S536	V532-Q534 VanDerWaalsContact C-N 3.34Å; V532-Q534 PolarHBondContact O-N 3.42Å; Q534-S536 PolarHBondContact O-N 3.09Å; Q534-S536 VanDerWaalsContact O-N 3.14Å
535	K	36.5	Very low	46.8	Very low	177 Å²	177	108.4 Å²	108.4	77%	0.77	60%	0.595	S	S	*	*			trans	-51.5	120.7	154.6	-89.8	-179.7	172.5	178.5	0	105.6	T533 A537	T533-K535 PolarHBondContact O-N 3.04Å; K535-A537 PolarHBondContact O-N 2.85Å
536	S	38.8	Very low	48.7	Very low	96 Å²	96	109.3 Å²	109.3	67%	0.671	59%	0.587	S	S	*	*			trans	-50.6	100.7	175	51.9	0	0	0	0	109	Q534 H538	Q534-S536 PolarHBondContact O-N 3.09Å; Q534-S536 VanDerWaalsContact O-N 3.14Å; S536-H538 PolarHBondContact O-N 3.38Å; S536-H538 VanDerWaalsContact O-N 3.13Å; S536-H538 PolarHBondContact O-ND1 2.96Å
537	A	48.2	Very low	49.9	Very low	68 Å²	68	111 Å²	111	56%	0.562	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-62.6	116.3	177.8	0	0	0	0	0	107.3	K535	K535-A537 PolarHBondContact O-N 2.85Å
538	H	52.5	Low	51.2	Low	116 Å²	116	109 Å²	109	54%	0.537	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-66	124.4	172.9	-69	13.8	0	0	0	107.2	S536 C540	S536-H538 PolarHBondContact O-N 3.38Å; S536-H538 VanDerWaalsContact O-N 3.13Å; S536-H538 PolarHBondContact O-ND1 2.96Å; H538-C540 PolarHBondContact O-N 3.47Å; H538-C540 VanDerWaalsContact O-N 3.13Å; H538-C540 PolarHBondContact O-SG 2.98Å
539	P	64.4	Low	52.6	Low	116 Å²	116	108.6 Å²	108.6	75%	0.753	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-64.7	116.5	-179.1	25.2	-32	0	0	0	109
540	C	74.6	Confident	54.2	Low	37 Å²	37	106.7 Å²	106.7	25%	0.25	55%	0.553	C	S	.	*	P	Polyproline II helix	trans	-97.3	135.9	177.8	-46.2	0	0	0	0	110.9	H538 L674 C675	H538-C540 PolarHBondContact O-N 3.47Å; H538-C540 VanDerWaalsContact O-N 3.13Å; H538-C540 PolarHBondContact O-SG 2.98Å; C540-L674 CarbonylContact C-O 3.54Å; C540-L674 WeakPolarHBondContact CA-O 3.01Å; C540-C675 HydrophobicContact CB-CB 3.96Å; C540-C675 WeakPolarHBondContact CB-SG 3.43Å; C540-C675 WeakPolarHBondContact SG-CB 3.48Å; C540-C675 CovalentContact SG-SG 2.04Å; C540-C675 PolarHBondContact SG-SG 2.87Å
541	T	79.6	Confident	55.7	Low	58 Å²	58	106.4 Å²	106.4	36%	0.356	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	141.8	168.4	-117.2	0	0	0	0	109.6	W555 L673 L674	T541-W555 HydrophobicContact CG2-CG 4.24Å; T541-L673 CarbonylContact O-C 3.59Å; T541-L673 WeakPolarHBondContact O-CA 2.93Å; T541-L674 HydrophobicContact CG2-CB 4.25Å; T541-L674 HydrophobicContact CG2-CD1 4.43Å; T541-L674 PolarHBondContact N-O 2.84Å; T541-L674 PolarHBondContact O-N 2.8Å
542	I	79.2	Confident	57.9	Low	80 Å²	80	100 Å²	100	41%	0.41	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.1	177.7	-53.9	176.7	0	0	0	108.7	E544 A671 A672 L673	I542-E544 HydrophobicContact CG2-CB 4.16Å; I542-E544 PolarHBondContact O-N 2.83Å; I542-A671 HydrophobicContact CG2-CB 4.15Å; I542-A672 WeakPolarHBondContact CA-O 3.34Å; I542-L673 HydrophobicContact CG1-CD2 4.27Å; I542-L673 HydrophobicContact CG1-CG 4.3Å
543	L	78.5	Confident	60.3	Low	11 Å²	11	94.9 Å²	94.9	6%	0.058	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	93.6	167.1	-70.9	-177.3	0	0	0	108.7	P553 W555 V657 A659 A671 A672 L674	L543-P553 HydrophobicContact CB-CB 4.2Å; L543-P553 HydrophobicContact CB-CG 4.44Å; L543-P553 HydrophobicContact CD2-CB 4.16Å; L543-W555 HydrophobicContact CD1-CB 4.31Å; L543-W555 HydrophobicContact CD2-CB 3.85Å; L543-W555 HydrophobicContact CG-CB 4.39Å; L543-V657 HydrophobicContact CD1-CG1 4.48Å; L543-A659 HydrophobicContact CB-CB 4.24Å; L543-A659 HydrophobicContact CD1-CB 4.12Å; L543-A671 CarbonylContact O-C 3.57Å; L543-A671 WeakPolarHBondContact O-CA 3.05Å; L543-A672 HydrophobicContact CB-CB 4.09Å; L543-A672 PolarHBondContact N-O 3Å; L543-A672 PolarHBondContact O-N 3.39Å; L543-L674 HydrophobicContact CD1-CD1 3.57Å; L543-L674 HydrophobicContact CD1-CG 4.33Å; L543-L674 HydrophobicContact CG-CD1 4.05Å
544	E	76.3	Confident	62.7	Low	61 Å²	61	91.1 Å²	91.1	29%	0.285	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	141.8	178.8	-172.6	177.7	-148.4	0	0	110.8	I542 R546 N596 F670 A671	I542-E544 HydrophobicContact CG2-CB 4.16Å; I542-E544 PolarHBondContact O-N 2.83Å; E544-R546 IonicContact OE2-NE 2.68Å; E544-N596 PolarHBondContact OE1-ND2 3.48Å; E544-F670 WeakPolarHBondContact CA-O 3.45Å; E544-A671 HydrophobicContact CG-CB 4.49Å
545	Y	70.3	Confident	65	Low	22 Å²	22	86.3 Å²	86.3	9%	0.086	44%	0.439	C	S	.	.			trans	-72.2	124.4	167.5	-177.3	-84.5	0	0	0	110.4	W547 V550 E551 Q668 F670	Y545-W547 HydrophobicContact CE1-CB 3.79Å; Y545-W547 HydrophobicContact CE1-CG 4.42Å; Y545-W547 VanDerWaalsContact OH-CD1 3.25Å; Y545-V550 WeakPolarHBondContact CD2-O 3.31Å; Y545-E551 WeakPolarHBondContact CD2-O 3.45Å; Y545-E551 HydrophobicContact CE2-CB 4.46Å; Y545-E551 WeakPolarHBondContact CE2-O 3.29Å; Y545-Q668 HydrophobicContact CD1-CB 4.02Å; Y545-Q668 WeakPolarHBondContact CD1-O 3.02Å; Y545-Q668 HydrophobicContact CE1-CB 3.43Å; Y545-Q668 VanDerWaalsContact CE1-CB 3.43Å; Y545-Q668 HydrophobicContact CE1-CG 3.7Å; Y545-Q668 VanDerWaalsContact CE1-O 3.29Å; Y545-Q668 WeakPolarHBondContact CE1-O 3.21Å; Y545-Q668 HydrophobicContact CE2-CG 4.48Å; Y545-Q668 WeakPolarHBondContact OH-CG 3.35Å; Y545-Q668 PolarHBondContact OH-NE2 3.26Å; Y545-F670 HydrophobicContact CD2-CD1 4.49Å; Y545-F670 AromaticContact CD2-CE1 3.67Å; Y545-F670 HydrophobicContact CD2-CE1 3.67Å; Y545-F670 HydrophobicContact CD2-CZ 4.19Å; Y545-F670 HydrophobicContact CG-CD1 4.36Å; Y545-F670 AromaticContact CG-CE1 3.93Å; Y545-F670 HydrophobicContact CG-CE1 3.93Å; Y545-F670 PolarHBondContact N-O 3.43Å; Y545-F670 VanDerWaalsContact N-O 3.09Å
546	R	65.8	Low	67.2	Low	168 Å²	168	83.9 Å²	83.9	63%	0.634	43%	0.426	S	S	*	.	B	Isolated β-bridge	trans	-127.5	101.9	174	-86.5	-177.8	178.4	179.9	-2.4	110.1	E544 F549 V550	E544-R546 IonicContact OE2-NE 2.68Å; R546-F549 PolarHBondContact O-N 3.41Å; R546-V550 PolarHBondContact O-N 3.48Å
547	W	55.1	Low	69.4	Low	168 Å²	168	80.9 Å²	80.9	64%	0.636	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	142.6	170.8	-156.1	77.4	0	0	0	110.8	Y545	Y545-W547 HydrophobicContact CE1-CB 3.79Å; Y545-W547 HydrophobicContact CE1-CG 4.42Å; Y545-W547 VanDerWaalsContact OH-CD1 3.25Å
548	P	53.4	Low	71.3	Confident	67 Å²	67	80.7 Å²	80.7	44%	0.435	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88	6.2	-2.5	34.3	-37.6	0	0	0	115.3
549	F	57.4	Low	72.9	Confident	180 Å²	180	76.7 Å²	76.7	79%	0.789	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-27.2	-160.7	-53.5	-69.8	0	0	0	115.2	R546	R546-F549 PolarHBondContact O-N 3.41Å
550	V	61.2	Low	73.7	Confident	59 Å²	59	81.5 Å²	81.5	36%	0.358	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-137.5	94.5	-175.6	-174.1	0	0	0	0	110.4	Y545 R546 P553	Y545-V550 WeakPolarHBondContact CD2-O 3.31Å; R546-V550 PolarHBondContact O-N 3.48Å; V550-P553 HydrophobicContact CG1-CB 3.79Å
551	E	61.9	Low	74.3	Confident	123 Å²	123	86 Å²	86	58%	0.575	40%	0.396	S	S	*	.	S	Bend	trans	-75.8	-29.4	177.8	-70.9	-176.2	171.2	0	0	113.1	Y545	Y545-E551 WeakPolarHBondContact CD2-O 3.45Å; Y545-E551 HydrophobicContact CE2-CB 4.46Å; Y545-E551 WeakPolarHBondContact CE2-O 3.29Å
552	L	71.8	Confident	74.8	Confident	62 Å²	62	88.5 Å²	88.5	33%	0.325	40%	0.403	S	S	.	.	S	Bend	trans	-138.9	84.6	-176.9	-68	169.4	0	0	0	109	S554 E658 R660	L552-S554 PolarHBondContact O-N 3.49Å; L552-E658 HydrophobicContact CB-CG 4.36Å; L552-E658 WeakPolarHBondContact CD2-OE1 3.41Å; L552-R660 HydrophobicContact CD2-CG 3.62Å
553	P	78.4	Confident	75.3	Confident	6 Å²	6	87.9 Å²	87.9	4%	0.039	40%	0.4	C	S	.	.			trans	-63.2	126.3	-178.2	27.6	-34	0	0	0	109.4	L543 V550 A659 F670	L543-P553 HydrophobicContact CB-CB 4.2Å; L543-P553 HydrophobicContact CB-CG 4.44Å; L543-P553 HydrophobicContact CD2-CB 4.16Å; V550-P553 HydrophobicContact CG1-CB 3.79Å; P553-A659 HydrophobicContact CG-CB 4.35Å; P553-A659 PolarHBondContact O-N 3.03Å; P553-A659 VanDerWaalsContact O-N 3.08Å; P553-F670 HydrophobicContact CG-CE2 3.72Å; P553-F670 HydrophobicContact CG-CZ 3.87Å
554	S	79.7	Confident	76	Confident	53 Å²	53	91.5 Å²	91.5	37%	0.371	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.5	-179.6	65.7	0	0	0	0	110.6	L552 V657	L552-S554 PolarHBondContact O-N 3.49Å; S554-V657 CarbonylContact C-O 3.57Å; S554-V657 VanDerWaalsContact CA-O 3.27Å; S554-V657 WeakPolarHBondContact CA-O 3.35Å
555	W	82.4	Confident	76.5	Confident	84 Å²	84	88.7 Å²	88.7	32%	0.318	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	149.9	173.8	-178.6	86.4	0	0	0	108	T541 L543 V557 Y656 V657 L674 V677	T541-W555 HydrophobicContact CG2-CG 4.24Å; L543-W555 HydrophobicContact CD1-CB 4.31Å; L543-W555 HydrophobicContact CD2-CB 3.85Å; L543-W555 HydrophobicContact CG-CB 4.39Å; W555-V557 HydrophobicContact CE3-CG2 4.24Å; W555-V557 HydrophobicContact CH2-CG2 3.43Å; W555-V557 VanDerWaalsContact CH2-CG2 3.43Å; W555-V557 HydrophobicContact CZ3-CG2 3.21Å; W555-Y656 CarbonylContact O-C 3.54Å; W555-Y656 WeakPolarHBondContact O-CA 3.5Å; W555-V657 HydrophobicContact CE3-CG2 4.38Å; W555-V657 PolarHBondContact N-O 2.96Å; W555-V657 PolarHBondContact O-N 3.33Å; W555-L674 HydrophobicContact CB-CD1 4.33Å; W555-V677 HydrophobicContact CE3-CG2 4.07Å; W555-V677 HydrophobicContact CH2-CB 3.87Å; W555-V677 HydrophobicContact CH2-CG2 3.96Å; W555-V677 HydrophobicContact CZ3-CB 3.51Å; W555-V677 HydrophobicContact CZ3-CG1 3.85Å; W555-V677 HydrophobicContact CZ3-CG2 3.44Å; W555-V677 VanDerWaalsContact CZ3-CG2 3.44Å
556	Y	83	Confident	77.5	Confident	126 Å²	126	92.2 Å²	92.2	49%	0.494	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.1	-178.4	69.8	-89	0	0	0	113.5	Y654 V655 Y656	Y556-Y654 HydrophobicContact CD2-CD1 4.03Å; Y556-Y654 HydrophobicContact CE2-CD1 4.26Å; Y556-Y654 HydrophobicContact CE2-CE1 4.5Å; Y556-V655 CarbonylContact C-O 3.19Å; Y556-V655 WeakPolarHBondContact CA-O 3.24Å; Y556-Y656 HydrophobicContact CD1-CD1 4.44Å; Y556-Y656 AromaticContact CD1-CE1 3.82Å; Y556-Y656 HydrophobicContact CD1-CE1 3.82Å; Y556-Y656 HydrophobicContact CG-CD1 4.3Å; Y556-Y656 AromaticContact CG-CE1 3.81Å; Y556-Y656 HydrophobicContact CG-CE1 3.81Å
557	V	84.5	Confident	78.6	Confident	33 Å²	33	84.2 Å²	84.2	20%	0.2	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.2	168.3	-172.9	0	0	0	0	108.1	W555 L559 Y654 V655 V677 V679	W555-V557 HydrophobicContact CE3-CG2 4.24Å; W555-V557 HydrophobicContact CH2-CG2 3.43Å; W555-V557 VanDerWaalsContact CH2-CG2 3.43Å; W555-V557 HydrophobicContact CZ3-CG2 3.21Å; V557-L559 HydrophobicContact CG1-CD2 4.12Å; V557-Y654 WeakPolarHBondContact O-CA 3.45Å; V557-V655 HydrophobicContact CB-CB 4.39Å; V557-V655 PolarHBondContact N-O 2.82Å; V557-V655 PolarHBondContact O-N 3.27Å; V557-V677 HydrophobicContact CG2-CG1 4.18Å; V557-V679 HydrophobicContact CG2-CG2 4.47Å
558	D	88.1	Confident	80.1	Confident	64 Å²	64	76.2 Å²	76.2	34%	0.342	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	115.3	166.3	-175.4	-0.9	0	0	0	108.9	R560 R653 Y654	D558-R560 PolarHBondContact O-N 3.25Å; D558-R560 WeakPolarHBondContact OD1-CA 3.34Å; D558-R560 PolarHBondContact OD1-N 2.89Å; D558-R653 VanDerWaalsContact OD1-CG 3.29Å; D558-R653 WeakPolarHBondContact OD1-CG 3.28Å; D558-R653 IonicContact OD1-CZ 2.85Å; D558-R653 IonicContact OD1-NE 3.69Å; D558-R653 PolarHBondContact OD1-NE 2.79Å; D558-R653 IonicContact OD1-NH2 2.77Å; D558-R653 IonicContact OD2-CZ 3.61Å; D558-R653 IonicContact OD2-NE 3.64Å; D558-R653 IonicContact OD2-NH2 3.83Å; D558-R653 PolarHBondContact OD2-NH2 3.19Å; D558-Y654 HydrophobicContact CB-CD1 4.01Å; D558-Y654 HydrophobicContact CB-CE1 3.87Å
559	L	85.3	Confident	81.8	Confident	32 Å²	32	73.3 Å²	73.3	17%	0.168	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	1.5	178.1	-59.2	176.4	0	0	0	112.9	V557 E561 I563 V565 R653 V655 V679	V557-L559 HydrophobicContact CG1-CD2 4.12Å; L559-E561 PolarHBondContact O-N 3.19Å; L559-I563 HydrophobicContact CB-CD1 4.14Å; L559-I563 HydrophobicContact CB-CG1 4.49Å; L559-I563 HydrophobicContact CD1-CB 4.2Å; L559-V565 HydrophobicContact CD1-CG2 3.63Å; L559-R653 VanDerWaalsContact CB-O 3.26Å; L559-R653 WeakPolarHBondContact CB-O 3.42Å; L559-R653 WeakPolarHBondContact CG-O 3.45Å; L559-R653 PolarHBondContact N-O 2.83Å; L559-V655 HydrophobicContact CD1-CG2 3.92Å; L559-V655 HydrophobicContact CG-CG2 4.31Å; L559-V679 HydrophobicContact CD1-CG1 4.37Å; L559-V679 HydrophobicContact CD2-CB 4.12Å; L559-V679 HydrophobicContact CD2-CG1 4.21Å; L559-V679 HydrophobicContact CD2-CG2 4.2Å
560	R	81.7	Confident	83.1	Confident	218 Å²	218	64.7 Å²	64.7	82%	0.823	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	67.5	-39.1	-174.7	-56.1	-176.9	175.1	-173.7	-1.2	114.6	D558 R653	D558-R560 PolarHBondContact O-N 3.25Å; D558-R560 WeakPolarHBondContact OD1-CA 3.34Å; D558-R560 PolarHBondContact OD1-N 2.89Å; R560-R653 PolarHBondContact O-NE 2.65Å
561	E	87.8	Confident	84.1	Confident	131 Å²	131	65.5 Å²	65.5	61%	0.612	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	171.2	177.6	67.9	-172.9	168.6	0	0	111.9	L559 I563	L559-E561 PolarHBondContact O-N 3.19Å; E561-I563 HydrophobicContact CG-CD1 3.9Å; E561-I563 HydrophobicContact CG-CG1 3.64Å; E561-I563 PolarHBondContact O-N 2.79Å
562	H	89.3	Confident	85.1	Confident	110 Å²	110	60 Å²	60	51%	0.509	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	110.1	176.4	-69.2	87.5	0	0	0	109.3	S609 I651	H562-S609 WeakPolarHBondContact NE2-CB 3.47Å; H562-I651 HydrophobicContact CB-CG2 4.12Å
563	I	89	Confident	85	Confident	67 Å²	67	58.7 Å²	58.7	34%	0.344	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	147.9	-178.5	-56.5	-178.7	0	0	0	109	L559 E561 V565 I651 G652	L559-I563 HydrophobicContact CB-CD1 4.14Å; L559-I563 HydrophobicContact CB-CG1 4.49Å; L559-I563 HydrophobicContact CD1-CB 4.2Å; E561-I563 HydrophobicContact CG-CD1 3.9Å; E561-I563 HydrophobicContact CG-CG1 3.64Å; E561-I563 PolarHBondContact O-N 2.79Å; I563-V565 PolarHBondContact O-N 2.69Å; I563-I651 WeakPolarHBondContact O-CA 3.28Å; I563-G652 PolarHBondContact N-O 2.87Å; I563-G652 PolarHBondContact O-N 2.85Å; I563-G652 VanDerWaalsContact O-N 3.12Å
564	E	93	Very high	84.3	Confident	88 Å²	88	59.8 Å²	59.8	41%	0.411	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	109.7	168.9	-172.3	-164.2	-173.7	0	0	109.8	K566 P649 I651	E564-K566 VanDerWaalsContact OE1-CE 3.27Å; E564-K566 WeakPolarHBondContact OE1-CE 3.4Å; E564-K566 IonicContact OE1-NZ 3.55Å; E564-K566 WeakPolarHBondContact OE2-CE 3.45Å; E564-K566 IonicContact OE2-NZ 2.83Å; E564-K566 PolarHBondContact OE2-NZ 2.9Å; E564-P649 HydrophobicContact CG-CB 3.67Å; E564-P649 WeakPolarHBondContact OE1-CB 3.44Å; E564-P649 WeakPolarHBondContact OE1-CG 3.31Å; E564-I651 HydrophobicContact CB-CG1 4.46Å
565	V	88.5	Confident	83.7	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.8	177	-179.7	0	0	0	0	110	L559 I563 V607 P649 L650 V655 V679	L559-V565 HydrophobicContact CD1-CG2 3.63Å; I563-V565 PolarHBondContact O-N 2.69Å; V565-V607 HydrophobicContact CB-CG1 4.31Å; V565-V607 HydrophobicContact CB-CG2 3.99Å; V565-V607 HydrophobicContact CG1-CG2 3.87Å; V565-V607 HydrophobicContact CG2-CG1 4.1Å; V565-V607 HydrophobicContact CG2-CG2 4.33Å; V565-P649 WeakPolarHBondContact O-CA 3.42Å; V565-L650 WeakPolarHBondContact CB-O 3.46Å; V565-L650 PolarHBondContact N-O 2.81Å; V565-L650 PolarHBondContact O-N 2.86Å; V565-V655 HydrophobicContact CG2-CG2 4.08Å; V565-V679 HydrophobicContact CB-CG1 4.25Å; V565-V679 HydrophobicContact CG1-CG1 3.57Å; V565-V679 HydrophobicContact CG2-CG1 3.82Å
566	K	89.9	Confident	82.3	Confident	96 Å²	96	53.9 Å²	53.9	42%	0.417	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-23.3	178.1	-66.8	173.3	-177	165.1	0	112.2	E564 C646 P649 Y680	E564-K566 VanDerWaalsContact OE1-CE 3.27Å; E564-K566 WeakPolarHBondContact OE1-CE 3.4Å; E564-K566 IonicContact OE1-NZ 3.55Å; E564-K566 WeakPolarHBondContact OE2-CE 3.45Å; E564-K566 IonicContact OE2-NZ 2.83Å; E564-K566 PolarHBondContact OE2-NZ 2.9Å; K566-C646 VanDerWaalsContact C-SG 3.58Å; K566-C646 WeakPolarHBondContact O-CB 3.11Å; K566-C646 PolarHBondContact O-N 2.85Å; K566-P649 HydrophobicContact CG-CB 4.2Å; K566-P649 HydrophobicContact CG-CG 4.34Å; K566-Y680 WeakPolarHBondContact CA-O 2.98Å; K566-Y680 HydrophobicContact CB-CD2 3.92Å; K566-Y680 HydrophobicContact CB-CE2 3.81Å; K566-Y680 WeakPolarHBondContact CB-O 3.38Å; K566-Y680 PolarHBondContact N-O 2.94Å
567	G	90.1	Very high	81	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	-174.7	173.3	0	0	0	0	0	113.7	I644 Y680	G567-I644 WeakPolarHBondContact CA-O 3.42Å; G567-Y680 VanDerWaalsContact C-CE1 3.45Å; G567-Y680 PolarHBondContact N-O 2.93Å; G567-Y680 VanDerWaalsContact N-O 3.08Å; G567-Y680 WeakPolarHBondContact O-CD1 3.39Å; G567-Y680 PolarHBondContact O-N 3Å; G567-Y680 VanDerWaalsContact O-N 3.09Å
568	V	86.3	Confident	79.2	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.7	-179.4	-176.1	0	0	0	0	110.8	I570 I605 I644 V655 V677 M678 V679	V568-I570 HydrophobicContact CG1-CG1 3.9Å; V568-I605 HydrophobicContact CB-CD1 3.46Å; V568-I605 VanDerWaalsContact CB-CD1 3.46Å; V568-I605 HydrophobicContact CG1-CD1 4Å; V568-I605 HydrophobicContact CG2-CD1 3.72Å; V568-I605 HydrophobicContact CG2-CG2 3.82Å; V568-I644 PolarHBondContact N-O 3.48Å; V568-I644 PolarHBondContact O-N 2.92Å; V568-V655 HydrophobicContact CG2-CG1 3.83Å; V568-V677 HydrophobicContact CG1-CG1 3.45Å; V568-V677 VanDerWaalsContact CG1-CG1 3.45Å; V568-M678 CarbonylContact C-O 3.55Å; V568-M678 VanDerWaalsContact CA-O 3.3Å; V568-M678 WeakPolarHBondContact CA-O 3.48Å; V568-M678 WeakPolarHBondContact CG1-O 3.47Å; V568-V679 HydrophobicContact CG2-CG2 4.33Å
569	V	87.9	Confident	77	Confident	6 Å²	6	59.9 Å²	59.9	4%	0.036	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.2	168.5	179.8	0	0	0	0	108.4	Y571 R641 L642 M678 Y680	V569-Y571 HydrophobicContact CG1-CE2 4.24Å; V569-R641 HydrophobicContact CG1-CG 4.05Å; V569-L642 CarbonylContact C-O 3.4Å; V569-L642 WeakPolarHBondContact CA-O 3.18Å; V569-M678 HydrophobicContact CB-CB 4.43Å; V569-M678 HydrophobicContact CB-CE 3.76Å; V569-M678 HydrophobicContact CG1-CE 3.67Å; V569-M678 HydrophobicContact CG2-CE 4.39Å; V569-M678 PolarHBondContact N-O 2.94Å; V569-M678 PolarHBondContact O-N 3.24Å; V569-Y680 HydrophobicContact CG2-CD1 4.34Å; V569-Y680 HydrophobicContact CG2-CE1 4.15Å
570	I	84.7	Confident	74.9	Confident	0 Å²	0	69 Å²	69	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.3	178.6	-56.3	176	0	0	0	108.4	V568 T572 I605 R641 L642 I644 V657 L674 E676 V677	V568-I570 HydrophobicContact CG1-CG1 3.9Å; I570-T572 HydrophobicContact CG2-CG2 3.95Å; I570-I605 HydrophobicContact CD1-CD1 4.38Å; I570-R641 CarbonylContact O-C 3.53Å; I570-R641 WeakPolarHBondContact O-CA 3.02Å; I570-L642 HydrophobicContact CB-CB 4.23Å; I570-L642 PolarHBondContact N-O 2.94Å; I570-L642 PolarHBondContact O-N 3.25Å; I570-I644 HydrophobicContact CD1-CD1 4.23Å; I570-V657 HydrophobicContact CD1-CG1 3.99Å; I570-V657 HydrophobicContact CD1-CG2 4.15Å; I570-L674 HydrophobicContact CG2-CD2 3.59Å; I570-E676 CarbonylContact C-O 3.33Å; I570-E676 WeakPolarHBondContact CA-O 3.04Å; I570-V677 HydrophobicContact CG1-CG1 4.31Å; I570-V677 HydrophobicContact CG1-CG2 4.32Å; I570-V677 HydrophobicContact CG2-CG2 4.36Å
571	Y	83.3	Confident	73	Confident	75 Å²	75	67.4 Å²	67.4	29%	0.294	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.9	165.6	-67	-83.1	0	0	0	110.1	V569 P640 R641 C675 E676 M678	V569-Y571 HydrophobicContact CG1-CE2 4.24Å; Y571-P640 WeakPolarHBondContact CA-O 3.39Å; Y571-R641 HydrophobicContact CD1-CB 3.94Å; Y571-R641 HydrophobicContact CD1-CG 3.85Å; Y571-R641 HydrophobicContact CE1-CB 4.04Å; Y571-R641 HydrophobicContact CE1-CG 3.65Å; Y571-R641 PolarHBondContact OH-NH2 2.86Å; Y571-C675 PolarHBondContact O-N 2.62Å; Y571-E676 HydrophobicContact CD2-CB 4Å; Y571-E676 HydrophobicContact CD2-CG 4.24Å; Y571-E676 VanDerWaalsContact CD2-OE2 3.23Å; Y571-E676 WeakPolarHBondContact CD2-OE2 3.42Å; Y571-E676 PolarHBondContact N-O 3.29Å; Y571-E676 PolarHBondContact O-N 2.65Å; Y571-M678 HydrophobicContact CD2-CE 4.39Å; Y571-M678 HydrophobicContact CE2-CE 3.52Å; Y571-M678 HydrophobicContact CE2-SD 4.44Å
572	T	82.4	Confident	70.7	Confident	9 Å²	9	67 Å²	67	6%	0.055	33%	0.33	C	S	.	.			trans	-124.9	158.5	-176.4	79.1	0	0	0	0	108.9	I570 G574 H575 S639 P640 L642 L673	I570-T572 HydrophobicContact CG2-CG2 3.95Å; T572-G574 PolarHBondContact O-N 2.86Å; T572-G574 VanDerWaalsContact O-N 3.15Å; T572-G574 PolarHBondContact OG1-N 2.72Å; T572-H575 VanDerWaalsContact CB-NE2 3.33Å; T572-H575 WeakPolarHBondContact CB-NE2 3.24Å; T572-H575 VanDerWaalsContact CG2-NE2 3.26Å; T572-H575 WeakPolarHBondContact CG2-NE2 2.9Å; T572-S639 PolarHBondContact OG1-O 3.49Å; T572-P640 PolarHBondContact N-O 2.86Å; T572-P640 WeakPolarHBondContact OG1-CA 3.31Å; T572-L642 HydrophobicContact CG2-CD1 3.77Å; T572-L642 HydrophobicContact CG2-CG 4.09Å; T572-L673 WeakPolarHBondContact CB-O 3.46Å
573	A	70	Confident	68.3	Low	33 Å²	33	65.4 Å²	65.4	27%	0.273	33%	0.325	S	S	.	.	S	Bend	trans	-75.6	9.5	175.1	0	0	0	0	0	113.4	L673	A573-L673 HydrophobicContact CB-CB 4.25Å; A573-L673 HydrophobicContact CB-CD2 4.24Å
574	G	62.6	Low	66	Low	29 Å²	29	66.8 Å²	66.8	30%	0.299	34%	0.341	S	S	.	.			trans	72.7	96.6	-167.7	0	0	0	0	0	110	T572 G576	T572-G574 PolarHBondContact O-N 2.86Å; T572-G574 VanDerWaalsContact O-N 3.15Å; T572-G574 PolarHBondContact OG1-N 2.72Å; G574-G576 PolarHBondContact O-N 2.65Å
575	H	68.4	Low	63.5	Low	1 Å²	1	66.6 Å²	66.6	1%	0.005	35%	0.349	C	S	.	.			trans	-69.1	100.5	-176.2	-48.9	-95.8	0	0	0	110.1	T572 R577 I637 F638 L673	T572-H575 VanDerWaalsContact CB-NE2 3.33Å; T572-H575 WeakPolarHBondContact CB-NE2 3.24Å; T572-H575 VanDerWaalsContact CG2-NE2 3.26Å; T572-H575 WeakPolarHBondContact CG2-NE2 2.9Å; H575-R577 PolarHBondContact O-N 2.94Å; H575-I637 PolarHBondContact CD2-O 3.35Å; H575-F638 HydrophobicContact CB-CD1 3.83Å; H575-F638 HydrophobicContact CB-CE1 4.21Å; H575-F638 WeakPolarHBondContact O-CD1 3.27Å; H575-F638 WeakPolarHBondContact O-CE1 3.37Å; H575-L673 PolarHBondContact CE1-N 3.11Å; H575-L673 PolarHBondContact CE1-O 3.31Å; H575-L673 VanDerWaalsContact CE1-O 3.24Å; H575-L673 PolarHBondContact ND1-N 2.91Å
576	G	53.5	Low	61.3	Low	13 Å²	13	71.5 Å²	71.5	13%	0.134	38%	0.375	C	S	.	.	S	Bend	trans	76.8	-22.5	159.6	0	0	0	0	0	120.2	G574 S597	G574-G576 PolarHBondContact O-N 2.65Å; G576-S597 WeakPolarHBondContact CA-OG 3.1Å; G576-S597 PolarHBondContact N-OG 2.8Å; G576-S597 VanDerWaalsContact N-OG 3.15Å
577	R	54	Low	58.6	Low	141 Å²	141	75.3 Å²	75.3	53%	0.532	39%	0.392	S	S	.	.	S	Bend	trans	-94.6	-24.5	-164.5	-156.9	168	178.9	158.6	-24.4	117.6	H575 D635	H575-R577 PolarHBondContact O-N 2.94Å; R577-D635 IonicContact CZ-OD1 2.81Å; R577-D635 IonicContact CZ-OD2 2.78Å; R577-D635 IonicContact NH1-OD1 3.51Å; R577-D635 PolarHBondContact NH1-OD1 2.81Å; R577-D635 IonicContact NH1-OD2 3.62Å; R577-D635 PolarHBondContact NH1-OD2 2.91Å; R577-D635 IonicContact NH2-OD1 2.91Å; R577-D635 IonicContact NH2-OD2 3.41Å; R577-D635 PolarHBondContact NH2-OD2 3.09Å
578	D	48.1	Very low	56.1	Low	145 Å²	145	79.7 Å²	79.7	78%	0.775	44%	0.437	S	S	*	.			trans	-112	100.3	175	-87.9	-23.9	0	0	0	110.6	R580	D578-R580 PolarHBondContact O-N 3.15Å
579	G	42	Very low	54	Low	62 Å²	62	83.1 Å²	83.1	64%	0.639	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	38.4	-179.4	0	0	0	0	0	115.6
580	R	41.5	Very low	52.2	Low	223 Å²	223	89.2 Å²	89.2	84%	0.842	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.3	3.3	-179.3	-72.2	-167.6	180	-174	0.8	116.9	D578	D578-R580 PolarHBondContact O-N 3.15Å
581	Y	39.9	Very low	50.5	Low	186 Å²	186	96.7 Å²	96.7	73%	0.729	52%	0.524	S	S	*	.	S	Bend	trans	-136.4	114.2	175.5	-70.9	-77.7	0	0	0	113.3
582	L	39.4	Very low	48.7	Very low	122 Å²	122	99.2 Å²	99.2	64%	0.639	54%	0.536	S	S	*	.	S	Bend	trans	64.2	56.6	150.1	-60.8	168.6	0	0	0	118.5
583	L	40.3	Very low	47.3	Very low	76 Å²	76	101 Å²	101	40%	0.398	55%	0.547	S	S	.	.			trans	-127.8	15.5	158.4	-126.7	102.6	0	0	0	114.8	T593 L673	L583-T593 WeakPolarHBondContact CD2-OG1 3.26Å; L583-L673 HydrophobicContact CD1-CD2 4.07Å
584	S	40.1	Very low	46.5	Very low	96 Å²	96	104.3 Å²	104.3	67%	0.671	56%	0.556	S	S	*	*	S	Bend	trans	-93	3	-178.3	63.7	0	0	0	0	115	E590	S584-E590 WeakPolarHBondContact CB-OE1 3.44Å
585	S	41.2	Very low	45.9	Very low	84 Å²	84	109.1 Å²	109.1	59%	0.587	57%	0.569	S	S	*	*	S	Bend	trans	-125.8	8.1	-170.3	60.5	0	0	0	0	117
586	L	41.4	Very low	45.6	Very low	105 Å²	105	109.4 Å²	109.4	55%	0.55	57%	0.57	S	S	.	*	S	Bend	trans	-113.6	-42.7	-179.9	-81.2	159.9	0	0	0	115.6
587	F	34.4	Very low	46.1	Very low	176 Å²	176	109 Å²	109	77%	0.772	57%	0.565	S	S	*	*			trans	-154.2	139.8	-178.9	-67.9	-76.9	0	0	0	113.6	S589	F587-S589 VanDerWaalsContact C-N 3.35Å; F587-S589 PolarHBondContact O-N 3.09Å
588	G	37.5	Very low	46.8	Very low	92 Å²	92	106 Å²	106	95%	0.948	56%	0.557	S	S	*	*	S	Bend	trans	-74.5	52.6	-167.8	0	0	0	0	0	118.2
589	S	41.2	Very low	48.1	Very low	71 Å²	71	102.1 Å²	102.1	50%	0.497	54%	0.536	S	S	.	.			trans	-154.1	86.8	157.2	59.4	0	0	0	0	111.5	F587 E591	F587-S589 VanDerWaalsContact C-N 3.35Å; F587-S589 PolarHBondContact O-N 3.09Å; S589-E591 PolarHBondContact O-N 3.41Å; S589-E591 VanDerWaalsContact O-N 3.15Å
590	E	50	Low	50	Low	134 Å²	134	99.1 Å²	99.1	63%	0.626	51%	0.506	S	S	*	.	H	α-helix	trans	-61.5	-20.3	-173.5	-73.5	-173.3	143.2	0	0	115.1	S584	S584-E590 WeakPolarHBondContact CB-OE1 3.44Å
591	E	48.5	Very low	52	Low	157 Å²	157	91.9 Å²	91.9	73%	0.734	48%	0.481	S	S	*	.	H	α-helix	trans	-83.6	-39.7	-177.6	-101.1	179.2	152.5	0	0	113.5	S589 F595	S589-E591 PolarHBondContact O-N 3.41Å; S589-E591 VanDerWaalsContact O-N 3.15Å; E591-F595 VanDerWaalsContact O-CD2 3.26Å; E591-F595 WeakPolarHBondContact O-CD2 3.23Å; E591-F595 PolarHBondContact O-N 2.66Å
592	K	47.3	Very low	54.2	Low	129 Å²	129	85.8 Å²	85.8	56%	0.561	46%	0.457	S	S	*	.	H	α-helix	trans	-74.6	-35.9	-167.8	-142.8	177.9	-175.9	-172.9	0	113.3	N596	K592-N596 PolarHBondContact O-N 2.8Å; K592-N596 PolarHBondContact O-OD1 3.27Å
593	T	52	Low	56.5	Low	46 Å²	46	80 Å²	80	28%	0.282	43%	0.427	S	S	.	.	H	α-helix	trans	-73.7	-30	179.4	45.2	0	0	0	0	113.1	L583 S597	L583-T593 WeakPolarHBondContact CD2-OG1 3.26Å; T593-S597 WeakPolarHBondContact O-CB 3.45Å; T593-S597 PolarHBondContact O-N 3.15Å; T593-S597 VanDerWaalsContact O-N 3.09Å; T593-S597 PolarHBondContact O-OG 3.41Å
594	K	53.2	Low	58.9	Low	103 Å²	103	76.4 Å²	76.4	45%	0.448	41%	0.408	S	S	.	.	H	α-helix	trans	-68.3	-48.6	177.4	-163.9	175.9	179.4	-175.5	0	111.3	N596 S597 E598	K594-N596 PolarHBondContact O-N 3.44Å; K594-S597 PolarHBondContact O-N 3.34Å; K594-S597 PolarHBondContact O-OG 2.61Å; K594-E598 PolarHBondContact O-N 2.98Å
595	F	50.8	Low	61.3	Low	130 Å²	130	71.8 Å²	71.8	57%	0.57	38%	0.376	S	S	*	.	H	α-helix	trans	-62.2	-38.3	175.6	-78.5	-73.5	0	0	0	112.8	E591 E598	E591-F595 VanDerWaalsContact O-CD2 3.26Å; E591-F595 WeakPolarHBondContact O-CD2 3.23Å; E591-F595 PolarHBondContact O-N 2.66Å; F595-E598 PolarHBondContact O-N 3.34Å
596	N	61.4	Low	63.7	Low	6 Å²	6	68.4 Å²	68.4	3%	0.032	35%	0.35	C	S	.	.	H	α-helix	trans	-70.8	-34	179.4	-68.5	3.4	0	0	0	112.5	E544 K592 K594 E598 N599 E669 F670 A671	E544-N596 PolarHBondContact OE1-ND2 3.48Å; K592-N596 PolarHBondContact O-N 2.8Å; K592-N596 PolarHBondContact O-OD1 3.27Å; K594-N596 PolarHBondContact O-N 3.44Å; N596-E598 VanDerWaalsContact C-N 3.28Å; N596-E598 PolarHBondContact O-N 3.06Å; N596-N599 PolarHBondContact O-N 3.31Å; N596-N599 VanDerWaalsContact O-N 3.15Å; N596-E669 WeakPolarHBondContact OD1-CB 3.34Å; N596-F670 CarbonylContact O-C 3.56Å; N596-F670 WeakPolarHBondContact O-CA 2.92Å; N596-A671 HydrophobicContact CB-CB 3.98Å; N596-A671 PolarHBondContact O-N 3.47Å
597	S	63.1	Low	66	Low	4 Å²	4	63.8 Å²	63.8	3%	0.028	33%	0.326	C	S	.	.	H	α-helix	trans	-68.7	-27.8	177.8	70.4	0	0	0	0	113.2	G576 T593 K594 N599	G576-S597 WeakPolarHBondContact CA-OG 3.1Å; G576-S597 PolarHBondContact N-OG 2.8Å; G576-S597 VanDerWaalsContact N-OG 3.15Å; T593-S597 WeakPolarHBondContact O-CB 3.45Å; T593-S597 PolarHBondContact O-N 3.15Å; T593-S597 VanDerWaalsContact O-N 3.09Å; T593-S597 PolarHBondContact O-OG 3.41Å; K594-S597 PolarHBondContact O-N 3.34Å; K594-S597 PolarHBondContact O-OG 2.61Å; S597-N599 VanDerWaalsContact C-N 3.26Å; S597-N599 PolarHBondContact O-N 3.4Å
598	E	68.6	Low	68.6	Low	78 Å²	78	57.3 Å²	57.3	36%	0.364	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.1	172.8	-70.6	-169.7	175.5	0	0	113.5	K594 F595 N596 R632	K594-E598 PolarHBondContact O-N 2.98Å; F595-E598 PolarHBondContact O-N 3.34Å; N596-E598 VanDerWaalsContact C-N 3.28Å; N596-E598 PolarHBondContact O-N 3.06Å; E598-R632 PolarHBondContact O-NH1 3.04Å; E598-R632 PolarHBondContact O-NH2 3.2Å
599	N	77.1	Confident	70.9	Confident	64 Å²	64	55.8 Å²	55.8	34%	0.342	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	4	178	-74.4	-26.9	0	0	0	113.4	N596 S597 E601 G661 V662 E669 F670	N596-N599 PolarHBondContact O-N 3.31Å; N596-N599 VanDerWaalsContact O-N 3.15Å; S597-N599 VanDerWaalsContact C-N 3.26Å; S597-N599 PolarHBondContact O-N 3.4Å; N599-E601 PolarHBondContact O-N 3.49Å; N599-G661 CarbonylContact O-C 3.58Å; N599-G661 WeakPolarHBondContact O-CA 3.01Å; N599-V662 PolarHBondContact O-N 3.23Å; N599-E669 WeakPolarHBondContact CB-O 3.39Å; N599-E669 PolarHBondContact ND2-O 2.05Å; N599-F670 HydrophobicContact CB-CB 3.98Å
600	L	81.2	Confident	72.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	123.1	176.1	-169.8	66.3	0	0	0	110.9	L603 R632 I637 A659 F670 A672	L600-L603 HydrophobicContact CD2-CD1 4.47Å; L600-L603 HydrophobicContact CD2-CG 4.5Å; L600-R632 PolarHBondContact O-NH1 3.26Å; L600-R632 VanDerWaalsContact O-NH1 3.09Å; L600-I637 HydrophobicContact CD2-CD1 3.68Å; L600-I637 HydrophobicContact CD2-CG1 3.76Å; L600-I637 HydrophobicContact CG-CD1 3.61Å; L600-I637 HydrophobicContact CG-CG1 4.23Å; L600-A659 HydrophobicContact CD1-CB 3.96Å; L600-F670 HydrophobicContact CD1-CD2 3.97Å; L600-A672 HydrophobicContact CD1-CB 3.88Å; L600-A672 HydrophobicContact CD2-CB 3.8Å
601	E	83.5	Confident	74.3	Confident	71 Å²	71	56 Å²	56	33%	0.332	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-46.6	-179.6	-173.9	-173.2	156.2	0	0	111.8	N599 T631 R632 R660 G661 V662 R663	N599-E601 PolarHBondContact O-N 3.49Å; E601-T631 CarbonylContact O-C 3.57Å; E601-T631 VanDerWaalsContact O-CA 3.22Å; E601-T631 WeakPolarHBondContact O-CA 3.24Å; E601-R632 PolarHBondContact O-N 2.83Å; E601-R660 WeakPolarHBondContact CA-O 3.42Å; E601-R660 WeakPolarHBondContact CB-O 3.39Å; E601-R660 PolarHBondContact N-O 2.54Å; E601-G661 VanDerWaalsContact OE2-O 3.07Å; E601-V662 HydrophobicContact CB-CB 4.49Å; E601-V662 HydrophobicContact CB-CG2 3.86Å; E601-V662 HydrophobicContact CG-CG2 4.35Å; E601-V662 VanDerWaalsContact OE2-CA 3.29Å; E601-V662 WeakPolarHBondContact OE2-CA 3.44Å; E601-R663 PolarHBondContact OE2-N 3.47Å
602	R	86.9	Confident	75.4	Confident	58 Å²	58	52.3 Å²	52.3	22%	0.219	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	138.6	-168	177.5	176.3	174.2	159.5	2.6	112.5	S604 F629 V630 T631 R660	R602-S604 PolarHBondContact NE-OG 2.96Å; R602-F629 HydrophobicContact CG-CB 4.48Å; R602-V630 VanDerWaalsContact CA-O 3.3Å; R602-V630 WeakPolarHBondContact CA-O 3.28Å; R602-T631 HydrophobicContact CB-CG2 4.38Å; R602-T631 HydrophobicContact CG-CG2 4.21Å; R602-R660 HydrophobicContact CB-CB 4.35Å; R602-R660 PolarHBondContact N-O 2.78Å; R602-R660 PolarHBondContact O-N 2.85Å
603	L	87.4	Confident	76.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.4	163.2	-73.9	166.4	0	0	0	108.9	L600 F629 V630 I637 L642 V657 E658 A659 A672	L600-L603 HydrophobicContact CD2-CD1 4.47Å; L600-L603 HydrophobicContact CD2-CG 4.5Å; L603-F629 CarbonylContact O-C 3.56Å; L603-F629 WeakPolarHBondContact O-CA 3.13Å; L603-F629 VanDerWaalsContact O-CB 3.3Å; L603-F629 WeakPolarHBondContact O-CB 3.36Å; L603-V630 HydrophobicContact CB-CG1 3.82Å; L603-V630 HydrophobicContact CD1-CG1 4.44Å; L603-V630 PolarHBondContact N-O 3.24Å; L603-V630 PolarHBondContact O-N 3.36Å; L603-I637 HydrophobicContact CD1-CD1 4.44Å; L603-I637 HydrophobicContact CD1-CG1 4.21Å; L603-I637 HydrophobicContact CG-CD1 4.19Å; L603-L642 HydrophobicContact CD1-CD1 3.6Å; L603-V657 HydrophobicContact CD2-CG1 3.98Å; L603-E658 CarbonylContact C-O 3.49Å; L603-E658 WeakPolarHBondContact CA-O 3.19Å; L603-A659 HydrophobicContact CD2-CB 3.71Å; L603-A672 HydrophobicContact CD2-CB 4.15Å
604	S	90.6	Very high	76.1	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.5	-179.8	-50.5	0	0	0	0	110.8	R602 E658	R602-S604 PolarHBondContact NE-OG 2.96Å; S604-E658 PolarHBondContact N-O 2.84Å; S604-E658 PolarHBondContact O-N 3.47Å
605	I	90.3	Very high	75.6	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.8	-178.7	-53.9	-168.1	0	0	0	109.8	V568 I570 C627 G628 I644 V655 Y656	V568-I605 HydrophobicContact CB-CD1 3.46Å; V568-I605 VanDerWaalsContact CB-CD1 3.46Å; V568-I605 HydrophobicContact CG1-CD1 4Å; V568-I605 HydrophobicContact CG2-CD1 3.72Å; V568-I605 HydrophobicContact CG2-CG2 3.82Å; I570-I605 HydrophobicContact CD1-CD1 4.38Å; I605-C627 HydrophobicContact CB-CB 4.23Å; I605-C627 HydrophobicContact CG2-CB 3.96Å; I605-C627 PolarHBondContact O-N 3.41Å; I605-G628 PolarHBondContact N-O 3.36Å; I605-G628 PolarHBondContact O-N 3.43Å; I605-I644 HydrophobicContact CD1-CB 3.64Å; I605-I644 HydrophobicContact CD1-CD1 3.72Å; I605-I644 HydrophobicContact CD1-CG1 4.26Å; I605-I644 HydrophobicContact CD1-CG2 3.67Å; I605-I644 HydrophobicContact CG1-CB 4.49Å; I605-I644 HydrophobicContact CG1-CD1 4.16Å; I605-I644 HydrophobicContact CG1-CG2 4.06Å; I605-V655 HydrophobicContact CG2-CG1 3.8Å; I605-Y656 CarbonylContact C-O 3.39Å; I605-Y656 VanDerWaalsContact CA-O 3.25Å; I605-Y656 WeakPolarHBondContact CA-O 3.19Å
606	Y	90.8	Very high	75	Confident	13 Å²	13	61.8 Å²	61.8	5%	0.051	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.9	175.5	-59.4	-89.2	0	0	0	110.4	S625 L626 V655 Y656 E658	Y606-S625 CarbonylContact C-O 3.54Å; Y606-S625 VanDerWaalsContact CA-O 3.28Å; Y606-S625 WeakPolarHBondContact CA-O 3.29Å; Y606-L626 HydrophobicContact CD1-CB 4.16Å; Y606-L626 HydrophobicContact CD1-CD1 4.04Å; Y606-L626 HydrophobicContact CE1-CB 3.98Å; Y606-L626 HydrophobicContact CE1-CD1 3.56Å; Y606-L626 HydrophobicContact CE1-CG 4.36Å; Y606-L626 HydrophobicContact CE2-CD1 4.37Å; Y606-V655 CarbonylContact O-C 3.59Å; Y606-V655 WeakPolarHBondContact O-CA 3.26Å; Y606-Y656 PolarHBondContact N-O 3.07Å; Y606-Y656 PolarHBondContact O-N 2.84Å; Y606-E658 HydrophobicContact CE2-CB 4.37Å
607	V	90.7	Very high	73.9	Confident	7 Å²	7	70.4 Å²	70.4	4%	0.042	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.5	174.6	178.6	0	0	0	0	107.2	V565 S625 C627 L650 Y654 V655	V565-V607 HydrophobicContact CB-CG1 4.31Å; V565-V607 HydrophobicContact CB-CG2 3.99Å; V565-V607 HydrophobicContact CG1-CG2 3.87Å; V565-V607 HydrophobicContact CG2-CG1 4.1Å; V565-V607 HydrophobicContact CG2-CG2 4.33Å; V607-S625 PolarHBondContact N-O 3.35Å; V607-S625 WeakPolarHBondContact O-CB 3.28Å; V607-C627 HydrophobicContact CG2-CB 3.99Å; V607-L650 HydrophobicContact CB-CB 3.92Å; V607-L650 HydrophobicContact CB-CD1 4.03Å; V607-L650 HydrophobicContact CG1-CB 3.98Å; V607-L650 HydrophobicContact CG2-CB 4.24Å; V607-L650 HydrophobicContact CG2-CD1 4.22Å; V607-Y654 WeakPolarHBondContact CA-O 3.19Å; V607-V655 HydrophobicContact CG2-CG2 4.39Å
608	E	88.5	Confident	72.7	Confident	41 Å²	41	77 Å²	77	19%	0.192	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.5	-174.9	-68.6	177.9	-169.2	0	0	110.4	R612 R653 Y654 Y656	E608-R612 IonicContact OE1-CZ 3.96Å; E608-R612 VanDerWaalsContact OE1-CZ 3.26Å; E608-R612 IonicContact OE1-NE 3.89Å; E608-R612 PolarHBondContact OE1-NE 2.91Å; E608-R612 IonicContact OE1-NH2 3.8Å; E608-R612 PolarHBondContact OE1-NH2 3.11Å; E608-R612 WeakPolarHBondContact OE2-CG 3.31Å; E608-R612 IonicContact OE2-CZ 2.73Å; E608-R612 IonicContact OE2-NE 2.81Å; E608-R612 PolarHBondContact OE2-NE 3.3Å; E608-R653 PolarHBondContact O-N 3Å; E608-Y654 PolarHBondContact N-O 3.03Å; E608-Y654 PolarHBondContact O-N 3.3Å; E608-Y656 HydrophobicContact CB-CD2 4.46Å; E608-Y656 HydrophobicContact CB-CE2 4.24Å; E608-Y656 HydrophobicContact CG-CD2 4.45Å
609	S	85.5	Confident	71.3	Confident	60 Å²	60	80 Å²	80	42%	0.42	40%	0.404	S	S	.	.	S	Bend	trans	-82	-29.2	177.8	-59.7	0	0	0	0	112	H562	H562-S609 WeakPolarHBondContact NE2-CB 3.47Å
610	E	82.5	Confident	69.7	Low	152 Å²	152	82.3 Å²	82.3	71%	0.71	43%	0.425	S	S	*	.	S	Bend	trans	-117.3	150.6	-178.2	-66.9	-175.7	176.7	0	0	111.2
611	P	80	Confident	68.4	Low	58 Å²	58	87 Å²	87	38%	0.377	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-73.3	140.7	178	29.5	-30.8	0	0	0	111	H613 Y654	P611-H613 PolarHBondContact O-N 3.37Å; P611-Y654 HydrophobicContact CB-CD2 4.4Å; P611-Y654 HydrophobicContact CB-CE1 4.06Å; P611-Y654 HydrophobicContact CB-CE2 3.95Å; P611-Y654 VanDerWaalsContact CD-CE2 3.47Å; P611-Y654 HydrophobicContact CG-CE2 4.11Å
612	R	72.5	Confident	67.1	Low	78 Å²	78	86.1 Å²	86.1	29%	0.294	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-66.2	120	175.7	-67.1	-178.3	178.8	-178.7	0.4	111.4	E608 Y656 E658	E608-R612 IonicContact OE1-CZ 3.96Å; E608-R612 VanDerWaalsContact OE1-CZ 3.26Å; E608-R612 IonicContact OE1-NE 3.89Å; E608-R612 PolarHBondContact OE1-NE 2.91Å; E608-R612 IonicContact OE1-NH2 3.8Å; E608-R612 PolarHBondContact OE1-NH2 3.11Å; E608-R612 WeakPolarHBondContact OE2-CG 3.31Å; E608-R612 IonicContact OE2-CZ 2.73Å; E608-R612 IonicContact OE2-NE 2.81Å; E608-R612 PolarHBondContact OE2-NE 3.3Å; R612-Y656 HydrophobicContact CB-CE1 4.3Å; R612-Y656 HydrophobicContact CG-CE1 4.06Å; R612-Y656 HydrophobicContact CG-CE2 3.93Å; R612-Y656 PolarHBondContact N-OH 3.46Å; R612-E658 IonicContact NH1-OE2 3.25Å
613	H	62.1	Low	65.9	Low	158 Å²	158	88.7 Å²	88.7	73%	0.731	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-75.8	139.5	168.9	-72.7	-67.8	0	0	0	111.3	P611 D615	P611-H613 PolarHBondContact O-N 3.37Å; H613-D615 PolarHBondContact O-N 3.03Å; H613-D615 VanDerWaalsContact O-N 3.11Å
614	H	51.7	Low	64.9	Low	195 Å²	195	92.6 Å²	92.6	90%	0.903	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.3	-171.7	-101.8	-56.2	0	0	0	115.5
615	D	43.5	Very low	64.5	Low	157 Å²	157	93.4 Å²	93.4	84%	0.84	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-0.1	-165.3	-81.2	-29.2	0	0	0	117.5	H613 K617	H613-D615 PolarHBondContact O-N 3.03Å; H613-D615 VanDerWaalsContact O-N 3.11Å; D615-K617 PolarHBondContact O-N 2.78Å
616	T	38.2	Very low	64.5	Low	98 Å²	98	95.6 Å²	95.6	60%	0.601	52%	0.515	S	S	*	.			trans	-105.3	82.4	177.5	52.7	0	0	0	0	111.9	T618	T616-T618 PolarHBondContact O-N 2.73Å
617	K	37.4	Very low	64.3	Low	186 Å²	186	95.1 Å²	95.1	81%	0.809	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	123.1	151.9	-72.3	179	177.8	179.2	0	106.5	D615	D615-K617 PolarHBondContact O-N 2.78Å
618	T	38.4	Very low	64.3	Low	143 Å²	143	95.3 Å²	95.3	88%	0.877	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	27.2	166.1	73.2	0	0	0	0	120.8	T616 S620	T616-T618 PolarHBondContact O-N 2.73Å; T618-S620 PolarHBondContact O-N 2.78Å
619	L	39.5	Very low	64.4	Low	142 Å²	142	98.2 Å²	98.2	74%	0.743	53%	0.529	S	S	*	.			trans	-78.8	116.3	156.4	-122.3	80.6	0	0	0	110	R621	L619-R621 PolarHBondContact O-N 2.86Å
620	S	43.6	Very low	64.5	Low	111 Å²	111	96.2 Å²	96.2	78%	0.776	52%	0.515	S	S	*	.			trans	-28.1	103.3	167.2	171.6	0	0	0	0	111.9	T618 S622	T618-S620 PolarHBondContact O-N 2.78Å; S620-S622 PolarHBondContact O-N 2.75Å
621	R	53.8	Low	64.7	Low	98 Å²	98	90.6 Å²	90.6	37%	0.37	49%	0.491	S	S	.	.			trans	-62.2	101.6	173.1	-70	174.2	179.3	-162.8	-0.6	107.4	L619 S623 E658	L619-R621 PolarHBondContact O-N 2.86Å; R621-S623 PolarHBondContact O-N 3.03Å; R621-E658 IonicContact CZ-OE1 3.26Å; R621-E658 IonicContact CZ-OE2 2.63Å; R621-E658 IonicContact NH1-OE1 3.83Å; R621-E658 PolarHBondContact NH1-OE1 2.95Å; R621-E658 IonicContact NH1-OE2 3.79Å; R621-E658 PolarHBondContact NH1-OE2 3.46Å; R621-E658 VanDerWaalsContact NH2-CD 3.26Å; R621-E658 IonicContact NH2-OE1 3.98Å; R621-E658 PolarHBondContact NH2-OE1 3.12Å; R621-E658 IonicContact NH2-OE2 3.39Å; R621-E658 PolarHBondContact NH2-OE2 3.12Å
622	S	54.5	Low	64.6	Low	53 Å²	53	91.5 Å²	91.5	37%	0.371	49%	0.487	S	S	.	.			trans	-60.3	132.3	178.9	76.7	0	0	0	0	107.9	S620 S624 S625	S620-S622 PolarHBondContact O-N 2.75Å; S622-S624 WeakPolarHBondContact CB-OG 3.35Å; S622-S624 PolarHBondContact O-N 2.79Å; S622-S624 PolarHBondContact OG-OG 3.34Å; S622-S625 PolarHBondContact O-N 2.92Å; S622-S625 PolarHBondContact O-OG 3.3Å
623	S	61.8	Low	64.6	Low	112 Å²	112	93.4 Å²	93.4	78%	0.783	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-60.5	-13.1	171.4	51.4	0	0	0	0	112.1	R621	R621-S623 PolarHBondContact O-N 3.03Å
624	S	66.4	Low	65	Low	82 Å²	82	93 Å²	93	57%	0.573	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-73.9	-24.7	-178.9	61.3	0	0	0	0	114.6	S622	S622-S624 WeakPolarHBondContact CB-OG 3.35Å; S622-S624 PolarHBondContact O-N 2.79Å; S622-S624 PolarHBondContact OG-OG 3.34Å
625	S	83	Confident	65.9	Low	17 Å²	17	86.6 Å²	86.6	12%	0.119	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-91.3	-6.3	177.7	59.5	0	0	0	0	113.6	Y606 V607 S622 C627	Y606-S625 CarbonylContact C-O 3.54Å; Y606-S625 VanDerWaalsContact CA-O 3.28Å; Y606-S625 WeakPolarHBondContact CA-O 3.29Å; V607-S625 PolarHBondContact N-O 3.35Å; V607-S625 WeakPolarHBondContact O-CB 3.28Å; S622-S625 PolarHBondContact O-N 2.92Å; S622-S625 PolarHBondContact O-OG 3.3Å; S625-C627 PolarHBondContact O-N 2.97Å
626	L	89.6	Confident	67.4	Low	46 Å²	46	80.5 Å²	80.5	24%	0.241	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	107.5	-179.7	-178.1	72.9	0	0	0	110.3	Y606 F629	Y606-L626 HydrophobicContact CD1-CB 4.16Å; Y606-L626 HydrophobicContact CD1-CD1 4.04Å; Y606-L626 HydrophobicContact CE1-CB 3.98Å; Y606-L626 HydrophobicContact CE1-CD1 3.56Å; Y606-L626 HydrophobicContact CE1-CG 4.36Å; Y606-L626 HydrophobicContact CE2-CD1 4.37Å; L626-F629 HydrophobicContact CD2-CD1 4.09Å; L626-F629 HydrophobicContact CD2-CE1 4.42Å
627	C	88.2	Confident	69.4	Low	3 Å²	3	75.8 Å²	75.8	2%	0.02	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-59.2	171.5	166	0	0	0	0	110	I605 V607 S625 C646 R647 L650	I605-C627 HydrophobicContact CB-CB 4.23Å; I605-C627 HydrophobicContact CG2-CB 3.96Å; I605-C627 PolarHBondContact O-N 3.41Å; V607-C627 HydrophobicContact CG2-CB 3.99Å; S625-C627 PolarHBondContact O-N 2.97Å; C627-C646 HydrophobicContact CB-CB 3.91Å; C627-C646 WeakPolarHBondContact CB-SG 3.14Å; C627-C646 CarbonylContact O-C 3.58Å; C627-C646 VanDerWaalsContact O-CA 3.22Å; C627-C646 WeakPolarHBondContact O-CA 3.37Å; C627-C646 WeakPolarHBondContact SG-CA 3.43Å; C627-C646 WeakPolarHBondContact SG-CB 2.9Å; C627-C646 CovalentContact SG-SG 2.03Å; C627-C646 PolarHBondContact SG-SG 2.72Å; C627-R647 PolarHBondContact O-N 3.03Å; C627-L650 HydrophobicContact CB-CD1 4Å
628	G	89.6	Confident	71.4	Confident	11 Å²	11	67.9 Å²	67.9	11%	0.113	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	175.2	-175.9	0	0	0	0	0	112.5	I605	I605-G628 PolarHBondContact N-O 3.36Å; I605-G628 PolarHBondContact O-N 3.43Å
629	F	91.1	Very high	73.3	Confident	102 Å²	102	63 Å²	63	45%	0.447	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	154.2	176.1	62	-86.5	0	0	0	111.2	R602 L603 L626 T631	R602-F629 HydrophobicContact CG-CB 4.48Å; L603-F629 CarbonylContact O-C 3.56Å; L603-F629 WeakPolarHBondContact O-CA 3.13Å; L603-F629 VanDerWaalsContact O-CB 3.3Å; L603-F629 WeakPolarHBondContact O-CB 3.36Å; L626-F629 HydrophobicContact CD2-CD1 4.09Å; L626-F629 HydrophobicContact CD2-CE1 4.42Å; F629-T631 HydrophobicContact CD2-CG2 3.79Å; F629-T631 HydrophobicContact CE2-CG2 3.93Å
630	V	86.9	Confident	75.3	Confident	19 Å²	19	60.1 Å²	60.1	12%	0.115	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141	169.6	65.3	0	0	0	0	108.8	R602 L603 A636 I637 L642 I644	R602-V630 VanDerWaalsContact CA-O 3.3Å; R602-V630 WeakPolarHBondContact CA-O 3.28Å; L603-V630 HydrophobicContact CB-CG1 3.82Å; L603-V630 HydrophobicContact CD1-CG1 4.44Å; L603-V630 PolarHBondContact N-O 3.24Å; L603-V630 PolarHBondContact O-N 3.36Å; V630-A636 HydrophobicContact CG2-CB 3.84Å; V630-I637 HydrophobicContact CG1-CG1 4.28Å; V630-L642 HydrophobicContact CG1-CD1 4.24Å; V630-I644 HydrophobicContact CB-CD1 4.13Å; V630-I644 HydrophobicContact CB-CG1 4.29Å; V630-I644 HydrophobicContact CG1-CD1 3.72Å; V630-I644 HydrophobicContact CG1-CG1 4.38Å
631	T	86.1	Confident	77.2	Confident	33 Å²	33	56.5 Å²	56.5	20%	0.202	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	173.6	176.4	66.2	0	0	0	0	110.4	E601 R602 F629 I633	E601-T631 CarbonylContact O-C 3.57Å; E601-T631 VanDerWaalsContact O-CA 3.22Å; E601-T631 WeakPolarHBondContact O-CA 3.24Å; R602-T631 HydrophobicContact CB-CG2 4.38Å; R602-T631 HydrophobicContact CG-CG2 4.21Å; F629-T631 HydrophobicContact CD2-CG2 3.79Å; F629-T631 HydrophobicContact CE2-CG2 3.93Å; T631-I633 PolarHBondContact O-N 3.42Å; T631-I633 VanDerWaalsContact O-N 3.12Å; T631-I633 WeakPolarHBondContact OG1-CG1 3.41Å; T631-I633 PolarHBondContact OG1-N 3.05Å
632	R	79.7	Confident	78.6	Confident	78 Å²	78	52.2 Å²	52.2	29%	0.294	30%	0.301	S	S	.	.	S	Bend	trans	-64.3	-6	172.9	-154.3	-156.3	-174.7	90.6	-8.9	114.6	E598 L600 E601 N634 D635 I637 F638	E598-R632 PolarHBondContact O-NH1 3.04Å; E598-R632 PolarHBondContact O-NH2 3.2Å; L600-R632 PolarHBondContact O-NH1 3.26Å; L600-R632 VanDerWaalsContact O-NH1 3.09Å; E601-R632 PolarHBondContact O-N 2.83Å; R632-N634 PolarHBondContact O-N 2.91Å; R632-D635 PolarHBondContact O-N 2.71Å; R632-I637 HydrophobicContact CB-CG2 4.23Å; R632-I637 HydrophobicContact CG-CG2 4.1Å; R632-F638 HydrophobicContact CG-CE2 3.66Å; R632-F638 HydrophobicContact CG-CZ 3.97Å; R632-F638 VanDerWaalsContact CZ-CZ 3.4Å
633	I	72.6	Confident	80.3	Confident	117 Å²	117	52.2 Å²	52.2	60%	0.6	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-58.9	130.3	-179.8	-65.7	172.1	0	0	0	109.5	T631 D635 A636	T631-I633 PolarHBondContact O-N 3.42Å; T631-I633 VanDerWaalsContact O-N 3.12Å; T631-I633 WeakPolarHBondContact OG1-CG1 3.41Å; T631-I633 PolarHBondContact OG1-N 3.05Å; I633-D635 PolarHBondContact O-N 2.86Å; I633-A636 WeakPolarHBondContact O-CB 3.47Å; I633-A636 PolarHBondContact O-N 3.34Å
634	N	68.9	Low	81.5	Confident	149 Å²	149	47.2 Å²	47.2	80%	0.797	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	55.6	28.9	-176.9	-55.1	-32.2	0	0	0	114.1	R632 A636	R632-N634 PolarHBondContact O-N 2.91Å; N634-A636 PolarHBondContact O-N 3.19Å
635	D	72.1	Confident	82.6	Confident	61 Å²	61	45.7 Å²	45.7	33%	0.326	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	59.8	18.4	178.5	-57.9	-35.7	0	0	0	113.9	R577 R632 I633 I637 F638	R577-D635 IonicContact CZ-OD1 2.81Å; R577-D635 IonicContact CZ-OD2 2.78Å; R577-D635 IonicContact NH1-OD1 3.51Å; R577-D635 PolarHBondContact NH1-OD1 2.81Å; R577-D635 IonicContact NH1-OD2 3.62Å; R577-D635 PolarHBondContact NH1-OD2 2.91Å; R577-D635 IonicContact NH2-OD1 2.91Å; R577-D635 IonicContact NH2-OD2 3.41Å; R577-D635 PolarHBondContact NH2-OD2 3.09Å; R632-D635 PolarHBondContact O-N 2.71Å; I633-D635 PolarHBondContact O-N 2.86Å; D635-I637 VanDerWaalsContact C-N 3.26Å; D635-I637 PolarHBondContact O-N 2.99Å; D635-F638 HydrophobicContact CB-CD2 3.86Å; D635-F638 WeakPolarHBondContact O-CB 3.29Å; D635-F638 PolarHBondContact O-N 3.04Å
636	A	73.6	Confident	82.9	Confident	29 Å²	29	45.7 Å²	45.7	24%	0.24	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-59.6	-38.5	-174.8	0	0	0	0	0	112	V630 I633 N634 F638 S639 L642	V630-A636 HydrophobicContact CG2-CB 3.84Å; I633-A636 WeakPolarHBondContact O-CB 3.47Å; I633-A636 PolarHBondContact O-N 3.34Å; N634-A636 PolarHBondContact O-N 3.19Å; A636-F638 PolarHBondContact O-N 3.02Å; A636-S639 WeakPolarHBondContact O-CB 3.35Å; A636-S639 PolarHBondContact O-N 3.16Å; A636-L642 WeakPolarHBondContact O-CD2 3.29Å
637	I	81.4	Confident	82.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-64.8	-19.5	178.9	-154.9	160.3	0	0	0	113.5	H575 L600 L603 V630 R632 D635	H575-I637 PolarHBondContact CD2-O 3.35Å; L600-I637 HydrophobicContact CD2-CD1 3.68Å; L600-I637 HydrophobicContact CD2-CG1 3.76Å; L600-I637 HydrophobicContact CG-CD1 3.61Å; L600-I637 HydrophobicContact CG-CG1 4.23Å; L603-I637 HydrophobicContact CD1-CD1 4.44Å; L603-I637 HydrophobicContact CD1-CG1 4.21Å; L603-I637 HydrophobicContact CG-CD1 4.19Å; V630-I637 HydrophobicContact CG1-CG1 4.28Å; R632-I637 HydrophobicContact CB-CG2 4.23Å; R632-I637 HydrophobicContact CG-CG2 4.1Å; D635-I637 VanDerWaalsContact C-N 3.26Å; D635-I637 PolarHBondContact O-N 2.99Å
638	F	79.2	Confident	82.7	Confident	19 Å²	19	60.9 Å²	60.9	8%	0.083	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-89.2	-4.7	-178.8	-59.2	-55.6	0	0	0	113.7	H575 R632 D635 A636	H575-F638 HydrophobicContact CB-CD1 3.83Å; H575-F638 HydrophobicContact CB-CE1 4.21Å; H575-F638 WeakPolarHBondContact O-CD1 3.27Å; H575-F638 WeakPolarHBondContact O-CE1 3.37Å; R632-F638 HydrophobicContact CG-CE2 3.66Å; R632-F638 HydrophobicContact CG-CZ 3.97Å; R632-F638 VanDerWaalsContact CZ-CZ 3.4Å; D635-F638 HydrophobicContact CB-CD2 3.86Å; D635-F638 WeakPolarHBondContact O-CB 3.29Å; D635-F638 PolarHBondContact O-N 3.04Å; A636-F638 PolarHBondContact O-N 3.02Å
639	S	78.9	Confident	82.8	Confident	40 Å²	40	63.6 Å²	63.6	28%	0.28	32%	0.322	S	S	.	.	S	Bend	trans	-62.1	137.8	176.1	176.7	0	0	0	0	110.7	T572 A636 R641	T572-S639 PolarHBondContact OG1-O 3.49Å; A636-S639 WeakPolarHBondContact O-CB 3.35Å; A636-S639 PolarHBondContact O-N 3.16Å; S639-R641 WeakPolarHBondContact CB-O 3.47Å; S639-R641 PolarHBondContact O-N 2.97Å; S639-R641 PolarHBondContact OG-N 2.83Å; S639-R641 PolarHBondContact OG-O 3.07Å
640	P	79.7	Confident	82.7	Confident	83 Å²	83	59.8 Å²	59.8	54%	0.539	31%	0.306	S	S	.	.	S	Bend	trans	-62.8	-9.3	173.4	27.9	-35.9	0	0	0	112.6	Y571 T572	Y571-P640 WeakPolarHBondContact CA-O 3.39Å; T572-P640 PolarHBondContact N-O 2.86Å; T572-P640 WeakPolarHBondContact OG1-CA 3.31Å
641	R	84.6	Confident	83	Confident	35 Å²	35	64.4 Å²	64.4	13%	0.132	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	121.6	174.8	-173.9	-166.1	-174.9	178.8	29.7	111.1	V569 I570 Y571 S639	V569-R641 HydrophobicContact CG1-CG 4.05Å; I570-R641 CarbonylContact O-C 3.53Å; I570-R641 WeakPolarHBondContact O-CA 3.02Å; Y571-R641 HydrophobicContact CD1-CB 3.94Å; Y571-R641 HydrophobicContact CD1-CG 3.85Å; Y571-R641 HydrophobicContact CE1-CB 4.04Å; Y571-R641 HydrophobicContact CE1-CG 3.65Å; Y571-R641 PolarHBondContact OH-NH2 2.86Å; S639-R641 WeakPolarHBondContact CB-O 3.47Å; S639-R641 PolarHBondContact O-N 2.97Å; S639-R641 PolarHBondContact OG-N 2.83Å; S639-R641 PolarHBondContact OG-O 3.07Å
642	L	83.8	Confident	83.2	Confident	7 Å²	7	62.9 Å²	62.9	4%	0.037	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.5	176.5	-52.9	170.9	0	0	0	109.1	V569 I570 T572 L603 V630 A636 I644	V569-L642 CarbonylContact C-O 3.4Å; V569-L642 WeakPolarHBondContact CA-O 3.18Å; I570-L642 HydrophobicContact CB-CB 4.23Å; I570-L642 PolarHBondContact N-O 2.94Å; I570-L642 PolarHBondContact O-N 3.25Å; T572-L642 HydrophobicContact CG2-CD1 3.77Å; T572-L642 HydrophobicContact CG2-CG 4.09Å; L603-L642 HydrophobicContact CD1-CD1 3.6Å; V630-L642 HydrophobicContact CG1-CD1 4.24Å; A636-L642 WeakPolarHBondContact O-CD2 3.29Å; L642-I644 HydrophobicContact CB-CD1 4.5Å
643	H	89.4	Confident	83.5	Confident	54 Å²	54	62.9 Å²	62.9	25%	0.25	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	114.1	174.7	177.3	-126.1	0	0	0	108.3	L293 Y680	L293-H643 HydrophobicContact CD1-CB 3.85Å; H643-Y680 AromaticContact CD2-CE1 3.89Å; H643-Y680 AromaticContact NE2-CE1 3.54Å; H643-Y680 AromaticContact NE2-CZ 3.43Å; H643-Y680 PolarHBondContact NE2-OH 3.1Å
644	I	87.8	Confident	84.3	Confident	6 Å²	6	58.2 Å²	58.2	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	92.7	-171.3	-59.3	166.9	0	0	0	107.2	G567 V568 I570 I605 V630 L642	G567-I644 WeakPolarHBondContact CA-O 3.42Å; V568-I644 PolarHBondContact N-O 3.48Å; V568-I644 PolarHBondContact O-N 2.92Å; I570-I644 HydrophobicContact CD1-CD1 4.23Å; I605-I644 HydrophobicContact CD1-CB 3.64Å; I605-I644 HydrophobicContact CD1-CD1 3.72Å; I605-I644 HydrophobicContact CD1-CG1 4.26Å; I605-I644 HydrophobicContact CD1-CG2 3.67Å; I605-I644 HydrophobicContact CG1-CB 4.49Å; I605-I644 HydrophobicContact CG1-CD1 4.16Å; I605-I644 HydrophobicContact CG1-CG2 4.06Å; V630-I644 HydrophobicContact CB-CD1 4.13Å; V630-I644 HydrophobicContact CB-CG1 4.29Å; V630-I644 HydrophobicContact CG1-CD1 3.72Å; V630-I644 HydrophobicContact CG1-CG1 4.38Å; L642-I644 HydrophobicContact CB-CD1 4.5Å
645	P	88.6	Confident	85.2	Confident	51 Å²	51	51.1 Å²	51.1	33%	0.331	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	149.4	176	30.7	-34	0	0	0	110.6
646	C	88.4	Confident	85.9	Confident	17 Å²	17	48.6 Å²	48.6	12%	0.115	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	146.3	170.8	-55.1	0	0	0	0	110.6	K566 C627 Q648	K566-C646 VanDerWaalsContact C-SG 3.58Å; K566-C646 WeakPolarHBondContact O-CB 3.11Å; K566-C646 PolarHBondContact O-N 2.85Å; C627-C646 HydrophobicContact CB-CB 3.91Å; C627-C646 WeakPolarHBondContact CB-SG 3.14Å; C627-C646 CarbonylContact O-C 3.58Å; C627-C646 VanDerWaalsContact O-CA 3.22Å; C627-C646 WeakPolarHBondContact O-CA 3.37Å; C627-C646 WeakPolarHBondContact SG-CA 3.43Å; C627-C646 WeakPolarHBondContact SG-CB 2.9Å; C627-C646 CovalentContact SG-SG 2.03Å; C627-C646 PolarHBondContact SG-SG 2.72Å; C646-Q648 WeakPolarHBondContact CB-O 3.32Å; C646-Q648 PolarHBondContact O-N 2.65Å
647	R	87	Confident	86.6	Confident	243 Å²	243	47.2 Å²	47.2	92%	0.917	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	-35.2	174.4	-176.9	178.2	179.6	172.8	0.4	112.3	C627	C627-R647 PolarHBondContact O-N 3.03Å
648	Q	88.6	Confident	86.9	Confident	124 Å²	124	47.2 Å²	47.2	58%	0.579	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-145.5	153.9	171.6	63	-171	3.3	0	0	107.2	C646 L650	C646-Q648 WeakPolarHBondContact CB-O 3.32Å; C646-Q648 PolarHBondContact O-N 2.65Å; Q648-L650 HydrophobicContact CG-CD2 4.14Å; Q648-L650 PolarHBondContact O-N 2.64Å
649	P	89.8	Confident	87.2	Confident	69 Å²	69	46.3 Å²	46.3	45%	0.448	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	131.2	173.3	-19.7	31.1	0	0	0	110.5	E564 V565 K566	E564-P649 HydrophobicContact CG-CB 3.67Å; E564-P649 WeakPolarHBondContact OE1-CB 3.44Å; E564-P649 WeakPolarHBondContact OE1-CG 3.31Å; V565-P649 WeakPolarHBondContact O-CA 3.42Å; K566-P649 HydrophobicContact CG-CB 4.2Å; K566-P649 HydrophobicContact CG-CG 4.34Å
650	L	90.5	Very high	87.5	Confident	21 Å²	21	48 Å²	48	11%	0.11	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.3	180	-67.6	177.3	0	0	0	109.2	V565 V607 C627 Q648	V565-L650 WeakPolarHBondContact CB-O 3.46Å; V565-L650 PolarHBondContact N-O 2.81Å; V565-L650 PolarHBondContact O-N 2.86Å; V607-L650 HydrophobicContact CB-CB 3.92Å; V607-L650 HydrophobicContact CB-CD1 4.03Å; V607-L650 HydrophobicContact CG1-CB 3.98Å; V607-L650 HydrophobicContact CG2-CB 4.24Å; V607-L650 HydrophobicContact CG2-CD1 4.22Å; C627-L650 HydrophobicContact CB-CD1 4Å; Q648-L650 HydrophobicContact CG-CD2 4.14Å; Q648-L650 PolarHBondContact O-N 2.64Å
651	I	92.1	Very high	87.6	Confident	117 Å²	117	44.6 Å²	44.6	60%	0.6	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.7	174.7	-60.3	172	0	0	0	108.3	H562 I563 E564	H562-I651 HydrophobicContact CB-CG2 4.12Å; I563-I651 WeakPolarHBondContact O-CA 3.28Å; E564-I651 HydrophobicContact CB-CG1 4.46Å
652	G	89.8	Confident	87.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	171.6	176	0	0	0	0	0	112.3	I563	I563-G652 PolarHBondContact N-O 2.87Å; I563-G652 PolarHBondContact O-N 2.85Å; I563-G652 VanDerWaalsContact O-N 3.12Å
653	R	87.6	Confident	86.4	Confident	78 Å²	78	56.5 Å²	56.5	29%	0.294	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-34.5	179.3	176	176.4	167.2	-176.5	-3.3	111.8	D558 L559 R560 E608	D558-R653 VanDerWaalsContact OD1-CG 3.29Å; D558-R653 WeakPolarHBondContact OD1-CG 3.28Å; D558-R653 IonicContact OD1-CZ 2.85Å; D558-R653 IonicContact OD1-NE 3.69Å; D558-R653 PolarHBondContact OD1-NE 2.79Å; D558-R653 IonicContact OD1-NH2 2.77Å; D558-R653 IonicContact OD2-CZ 3.61Å; D558-R653 IonicContact OD2-NE 3.64Å; D558-R653 IonicContact OD2-NH2 3.83Å; D558-R653 PolarHBondContact OD2-NH2 3.19Å; L559-R653 VanDerWaalsContact CB-O 3.26Å; L559-R653 WeakPolarHBondContact CB-O 3.42Å; L559-R653 WeakPolarHBondContact CG-O 3.45Å; L559-R653 PolarHBondContact N-O 2.83Å; R560-R653 PolarHBondContact O-NE 2.65Å; E608-R653 PolarHBondContact O-N 3Å
654	Y	87.9	Confident	84.9	Confident	20 Å²	20	56.1 Å²	56.1	8%	0.078	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.5	-175.8	-58.4	-85.6	0	0	0	110.9	Y556 V557 D558 V607 E608 P611	Y556-Y654 HydrophobicContact CD2-CD1 4.03Å; Y556-Y654 HydrophobicContact CE2-CD1 4.26Å; Y556-Y654 HydrophobicContact CE2-CE1 4.5Å; V557-Y654 WeakPolarHBondContact O-CA 3.45Å; D558-Y654 HydrophobicContact CB-CD1 4.01Å; D558-Y654 HydrophobicContact CB-CE1 3.87Å; V607-Y654 WeakPolarHBondContact CA-O 3.19Å; E608-Y654 PolarHBondContact N-O 3.03Å; E608-Y654 PolarHBondContact O-N 3.3Å; P611-Y654 HydrophobicContact CB-CD2 4.4Å; P611-Y654 HydrophobicContact CB-CE1 4.06Å; P611-Y654 HydrophobicContact CB-CE2 3.95Å; P611-Y654 VanDerWaalsContact CD-CE2 3.47Å; P611-Y654 HydrophobicContact CG-CE2 4.11Å
655	V	88	Confident	83	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111	175.3	-177.5	0	0	0	0	109.3	Y556 V557 L559 V565 V568 I605 Y606 V607 V679	Y556-V655 CarbonylContact C-O 3.19Å; Y556-V655 WeakPolarHBondContact CA-O 3.24Å; V557-V655 HydrophobicContact CB-CB 4.39Å; V557-V655 PolarHBondContact N-O 2.82Å; V557-V655 PolarHBondContact O-N 3.27Å; L559-V655 HydrophobicContact CD1-CG2 3.92Å; L559-V655 HydrophobicContact CG-CG2 4.31Å; V565-V655 HydrophobicContact CG2-CG2 4.08Å; V568-V655 HydrophobicContact CG2-CG1 3.83Å; I605-V655 HydrophobicContact CG2-CG1 3.8Å; Y606-V655 CarbonylContact O-C 3.59Å; Y606-V655 WeakPolarHBondContact O-CA 3.26Å; V607-V655 HydrophobicContact CG2-CG2 4.39Å; V655-V679 HydrophobicContact CB-CG2 4.25Å; V655-V679 HydrophobicContact CG1-CG2 4.27Å; V655-V679 HydrophobicContact CG2-CG1 4.07Å; V655-V679 HydrophobicContact CG2-CG2 4.04Å
656	Y	88.3	Confident	81.2	Confident	7 Å²	7	76.7 Å²	76.7	3%	0.027	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.3	-179.4	-70.6	-89.4	0	0	0	111.7	W555 Y556 I605 Y606 E608 R612	W555-Y656 CarbonylContact O-C 3.54Å; W555-Y656 WeakPolarHBondContact O-CA 3.5Å; Y556-Y656 HydrophobicContact CD1-CD1 4.44Å; Y556-Y656 AromaticContact CD1-CE1 3.82Å; Y556-Y656 HydrophobicContact CD1-CE1 3.82Å; Y556-Y656 HydrophobicContact CG-CD1 4.3Å; Y556-Y656 AromaticContact CG-CE1 3.81Å; Y556-Y656 HydrophobicContact CG-CE1 3.81Å; I605-Y656 CarbonylContact C-O 3.39Å; I605-Y656 VanDerWaalsContact CA-O 3.25Å; I605-Y656 WeakPolarHBondContact CA-O 3.19Å; Y606-Y656 PolarHBondContact N-O 3.07Å; Y606-Y656 PolarHBondContact O-N 2.84Å; E608-Y656 HydrophobicContact CB-CD2 4.46Å; E608-Y656 HydrophobicContact CB-CE2 4.24Å; E608-Y656 HydrophobicContact CG-CD2 4.45Å; R612-Y656 HydrophobicContact CB-CE1 4.3Å; R612-Y656 HydrophobicContact CG-CE1 4.06Å; R612-Y656 HydrophobicContact CG-CE2 3.93Å; R612-Y656 PolarHBondContact N-OH 3.46Å
657	V	87.9	Confident	79.5	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114	168.2	-177.2	0	0	0	0	108.5	L543 S554 W555 I570 L603 L674 V677	L543-V657 HydrophobicContact CD1-CG1 4.48Å; S554-V657 CarbonylContact C-O 3.57Å; S554-V657 VanDerWaalsContact CA-O 3.27Å; S554-V657 WeakPolarHBondContact CA-O 3.35Å; W555-V657 HydrophobicContact CE3-CG2 4.38Å; W555-V657 PolarHBondContact N-O 2.96Å; W555-V657 PolarHBondContact O-N 3.33Å; I570-V657 HydrophobicContact CD1-CG1 3.99Å; I570-V657 HydrophobicContact CD1-CG2 4.15Å; L603-V657 HydrophobicContact CD2-CG1 3.98Å; V657-L674 HydrophobicContact CB-CD1 4.25Å; V657-L674 HydrophobicContact CG1-CD1 3.86Å; V657-L674 HydrophobicContact CG1-CD2 4.42Å; V657-V677 HydrophobicContact CG2-CG1 4.4Å
658	E	87.6	Confident	78.1	Confident	1 Å²	1	71 Å²	71	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.2	-178.4	-172.1	-174.4	145.2	0	0	111.2	L552 L603 S604 Y606 R612 R621 R660	L552-E658 HydrophobicContact CB-CG 4.36Å; L552-E658 WeakPolarHBondContact CD2-OE1 3.41Å; L603-E658 CarbonylContact C-O 3.49Å; L603-E658 WeakPolarHBondContact CA-O 3.19Å; S604-E658 PolarHBondContact N-O 2.84Å; S604-E658 PolarHBondContact O-N 3.47Å; Y606-E658 HydrophobicContact CE2-CB 4.37Å; R612-E658 IonicContact NH1-OE2 3.25Å; R621-E658 IonicContact CZ-OE1 3.26Å; R621-E658 IonicContact CZ-OE2 2.63Å; R621-E658 IonicContact NH1-OE1 3.83Å; R621-E658 PolarHBondContact NH1-OE1 2.95Å; R621-E658 IonicContact NH1-OE2 3.79Å; R621-E658 PolarHBondContact NH1-OE2 3.46Å; R621-E658 VanDerWaalsContact NH2-CD 3.26Å; R621-E658 IonicContact NH2-OE1 3.98Å; R621-E658 PolarHBondContact NH2-OE1 3.12Å; R621-E658 IonicContact NH2-OE2 3.39Å; R621-E658 PolarHBondContact NH2-OE2 3.12Å; E658-R660 IonicContact OE1-CZ 3.69Å; E658-R660 IonicContact OE1-NE 3.6Å; E658-R660 IonicContact OE1-NH2 2.94Å
659	A	86.1	Confident	77.2	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142	179.2	0	0	0	0	0	112.4	L543 P553 L600 L603 F670 A672	L543-A659 HydrophobicContact CB-CB 4.24Å; L543-A659 HydrophobicContact CD1-CB 4.12Å; P553-A659 HydrophobicContact CG-CB 4.35Å; P553-A659 PolarHBondContact O-N 3.03Å; P553-A659 VanDerWaalsContact O-N 3.08Å; L600-A659 HydrophobicContact CD1-CB 3.96Å; L603-A659 HydrophobicContact CD2-CB 3.71Å; A659-F670 HydrophobicContact CB-CD2 4.45Å; A659-F670 HydrophobicContact CB-CE2 3.78Å; A659-F670 WeakPolarHBondContact O-CZ 3.48Å; A659-A672 HydrophobicContact CB-CB 4.04Å
660	R	84.3	Confident	76.6	Confident	74 Å²	74	66.3 Å²	66.3	28%	0.279	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.4	174.8	-75.4	-174.8	167.5	128.7	-5.9	111.2	L552 E601 R602 E658	L552-R660 HydrophobicContact CD2-CG 3.62Å; E601-R660 WeakPolarHBondContact CA-O 3.42Å; E601-R660 WeakPolarHBondContact CB-O 3.39Å; E601-R660 PolarHBondContact N-O 2.54Å; R602-R660 HydrophobicContact CB-CB 4.35Å; R602-R660 PolarHBondContact N-O 2.78Å; R602-R660 PolarHBondContact O-N 2.85Å; E658-R660 IonicContact OE1-CZ 3.69Å; E658-R660 IonicContact OE1-NE 3.6Å; E658-R660 IonicContact OE1-NH2 2.94Å
661	G	81	Confident	75.9	Confident	12 Å²	12	65.4 Å²	65.4	12%	0.124	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	166.5	172.8	0	0	0	0	0	113.8	N599 E601 F670	N599-G661 CarbonylContact O-C 3.58Å; N599-G661 WeakPolarHBondContact O-CA 3.01Å; E601-G661 VanDerWaalsContact OE2-O 3.07Å; G661-F670 VanDerWaalsContact N-CD1 3.31Å
662	V	78.2	Confident	75.4	Confident	61 Å²	61	59.9 Å²	59.9	37%	0.37	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-65.3	128.7	-175.4	179.4	0	0	0	0	111.7	N599 E601 S667	N599-V662 PolarHBondContact O-N 3.23Å; E601-V662 HydrophobicContact CB-CB 4.49Å; E601-V662 HydrophobicContact CB-CG2 3.86Å; E601-V662 HydrophobicContact CG-CG2 4.35Å; E601-V662 VanDerWaalsContact OE2-CA 3.29Å; E601-V662 WeakPolarHBondContact OE2-CA 3.44Å; V662-S667 VanDerWaalsContact O-CA 3.29Å; V662-S667 WeakPolarHBondContact O-CA 3.32Å; V662-S667 WeakPolarHBondContact O-CB 3.44Å
663	R	66	Low	75.1	Confident	231 Å²	231	60.9 Å²	60.9	87%	0.872	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-68	125.7	175.3	-81.5	179.9	165.4	161.5	-4.8	113.5	E601	E601-R663 PolarHBondContact OE2-N 3.47Å
664	G	57.8	Low	74.8	Confident	47 Å²	47	57.4 Å²	57.4	49%	0.485	26%	0.26	S	S	.	.	S	Bend	trans	164	171.3	-177.9	0	0	0	0	0	112.8	W666 S667	G664-W666 PolarHBondContact O-N 3.41Å; G664-S667 WeakPolarHBondContact O-CB 3.4Å; G664-S667 PolarHBondContact O-N 2.74Å; G664-S667 PolarHBondContact O-OG 3.05Å
665	R	47.9	Very low	74.6	Confident	258 Å²	258	57.8 Å²	57.8	97%	0.974	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-2	-169.7	-82.1	-172	-173.8	-175.2	2.3	116.6
666	W	50.4	Low	74.4	Confident	231 Å²	231	61.7 Å²	61.7	88%	0.875	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	37.4	170.2	-70.9	72.6	0	0	0	111.7	G664 Q668	G664-W666 PolarHBondContact O-N 3.41Å; W666-Q668 PolarHBondContact O-N 3.17Å
667	S	53.3	Low	74.2	Confident	47 Å²	47	62.5 Å²	62.5	33%	0.329	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	13.9	-173.2	47.8	0	0	0	0	116.9	V662 G664	V662-S667 VanDerWaalsContact O-CA 3.29Å; V662-S667 WeakPolarHBondContact O-CA 3.32Å; V662-S667 WeakPolarHBondContact O-CB 3.44Å; G664-S667 WeakPolarHBondContact O-CB 3.4Å; G664-S667 PolarHBondContact O-N 2.74Å; G664-S667 PolarHBondContact O-OG 3.05Å
668	Q	57.7	Low	74.1	Confident	92 Å²	92	65.8 Å²	65.8	43%	0.43	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	13.8	-160.6	-73.5	-168.6	-2.6	0	0	113.9	Y545 W666	Y545-Q668 HydrophobicContact CD1-CB 4.02Å; Y545-Q668 WeakPolarHBondContact CD1-O 3.02Å; Y545-Q668 HydrophobicContact CE1-CB 3.43Å; Y545-Q668 VanDerWaalsContact CE1-CB 3.43Å; Y545-Q668 HydrophobicContact CE1-CG 3.7Å; Y545-Q668 VanDerWaalsContact CE1-O 3.29Å; Y545-Q668 WeakPolarHBondContact CE1-O 3.21Å; Y545-Q668 HydrophobicContact CE2-CG 4.48Å; Y545-Q668 WeakPolarHBondContact OH-CG 3.35Å; Y545-Q668 PolarHBondContact OH-NE2 3.26Å; W666-Q668 PolarHBondContact O-N 3.17Å
669	E	68.2	Low	74.1	Confident	90 Å²	90	67.7 Å²	67.7	42%	0.421	32%	0.317	S	S	.	.			trans	-130.7	90.5	171.3	-65	-167.9	155.6	0	0	108.5	N596 N599	N596-E669 WeakPolarHBondContact OD1-CB 3.34Å; N599-E669 WeakPolarHBondContact CB-O 3.39Å; N599-E669 PolarHBondContact ND2-O 2.05Å
670	F	78	Confident	74.2	Confident	5 Å²	5	73 Å²	73	2%	0.022	34%	0.338	C	S	.	.			trans	-131.2	150.1	174.6	69.7	-92.8	0	0	0	111.7	E544 Y545 P553 N596 N599 L600 A659 G661	E544-F670 WeakPolarHBondContact CA-O 3.45Å; Y545-F670 HydrophobicContact CD2-CD1 4.49Å; Y545-F670 AromaticContact CD2-CE1 3.67Å; Y545-F670 HydrophobicContact CD2-CE1 3.67Å; Y545-F670 HydrophobicContact CD2-CZ 4.19Å; Y545-F670 HydrophobicContact CG-CD1 4.36Å; Y545-F670 AromaticContact CG-CE1 3.93Å; Y545-F670 HydrophobicContact CG-CE1 3.93Å; Y545-F670 PolarHBondContact N-O 3.43Å; Y545-F670 VanDerWaalsContact N-O 3.09Å; P553-F670 HydrophobicContact CG-CE2 3.72Å; P553-F670 HydrophobicContact CG-CZ 3.87Å; N596-F670 CarbonylContact O-C 3.56Å; N596-F670 WeakPolarHBondContact O-CA 2.92Å; N599-F670 HydrophobicContact CB-CB 3.98Å; L600-F670 HydrophobicContact CD1-CD2 3.97Å; A659-F670 HydrophobicContact CB-CD2 4.45Å; A659-F670 HydrophobicContact CB-CE2 3.78Å; A659-F670 WeakPolarHBondContact O-CZ 3.48Å; G661-F670 VanDerWaalsContact N-CD1 3.31Å
671	A	77	Confident	73.7	Confident	3 Å²	3	73 Å²	73	3%	0.025	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	134.9	176.5	0	0	0	0	0	111.9	I542 L543 E544 N596	I542-A671 HydrophobicContact CG2-CB 4.15Å; L543-A671 CarbonylContact O-C 3.57Å; L543-A671 WeakPolarHBondContact O-CA 3.05Å; E544-A671 HydrophobicContact CG-CB 4.49Å; N596-A671 HydrophobicContact CB-CB 3.98Å; N596-A671 PolarHBondContact O-N 3.47Å
672	A	81.1	Confident	73.3	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120	169.7	0	0	0	0	0	110.6	I542 L543 L600 L603 A659	I542-A672 WeakPolarHBondContact CA-O 3.34Å; L543-A672 HydrophobicContact CB-CB 4.09Å; L543-A672 PolarHBondContact N-O 3Å; L543-A672 PolarHBondContact O-N 3.39Å; L600-A672 HydrophobicContact CD1-CB 3.88Å; L600-A672 HydrophobicContact CD2-CB 3.8Å; L603-A672 HydrophobicContact CD2-CB 4.15Å; A659-A672 HydrophobicContact CB-CB 4.04Å
673	L	82.5	Confident	73.1	Confident	21 Å²	21	77 Å²	77	11%	0.11	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	115	172.5	-64.1	101.9	0	0	0	111.1	T541 I542 T572 A573 H575 L583	T541-L673 CarbonylContact O-C 3.59Å; T541-L673 WeakPolarHBondContact O-CA 2.93Å; I542-L673 HydrophobicContact CG1-CD2 4.27Å; I542-L673 HydrophobicContact CG1-CG 4.3Å; T572-L673 WeakPolarHBondContact CB-O 3.46Å; A573-L673 HydrophobicContact CB-CB 4.25Å; A573-L673 HydrophobicContact CB-CD2 4.24Å; H575-L673 PolarHBondContact CE1-N 3.11Å; H575-L673 PolarHBondContact CE1-O 3.31Å; H575-L673 VanDerWaalsContact CE1-O 3.24Å; H575-L673 PolarHBondContact ND1-N 2.91Å; L583-L673 HydrophobicContact CD1-CD2 4.07Å
674	L	82.2	Confident	73.5	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.2	175.7	-50.8	178.9	0	0	0	108.6	C540 T541 L543 W555 I570 V657 V677	C540-L674 CarbonylContact C-O 3.54Å; C540-L674 WeakPolarHBondContact CA-O 3.01Å; T541-L674 HydrophobicContact CG2-CB 4.25Å; T541-L674 HydrophobicContact CG2-CD1 4.43Å; T541-L674 PolarHBondContact N-O 2.84Å; T541-L674 PolarHBondContact O-N 2.8Å; L543-L674 HydrophobicContact CD1-CD1 3.57Å; L543-L674 HydrophobicContact CD1-CG 4.33Å; L543-L674 HydrophobicContact CG-CD1 4.05Å; W555-L674 HydrophobicContact CB-CD1 4.33Å; I570-L674 HydrophobicContact CG2-CD2 3.59Å; V657-L674 HydrophobicContact CB-CD1 4.25Å; V657-L674 HydrophobicContact CG1-CD1 3.86Å; V657-L674 HydrophobicContact CG1-CD2 4.42Å; L674-V677 HydrophobicContact CB-CG2 4.47Å
675	C	83	Confident	74.5	Confident	28 Å²	28	69.3 Å²	69.3	19%	0.189	31%	0.31	C	S	.	.	S	Bend	trans	-91	-36	-177.7	-55.3	0	0	0	0	112.5	C540 Y571	C540-C675 HydrophobicContact CB-CB 3.96Å; C540-C675 WeakPolarHBondContact CB-SG 3.43Å; C540-C675 WeakPolarHBondContact SG-CB 3.48Å; C540-C675 CovalentContact SG-SG 2.04Å; C540-C675 PolarHBondContact SG-SG 2.87Å; Y571-C675 PolarHBondContact O-N 2.62Å
676	E	84.2	Confident	76.2	Confident	82 Å²	82	56.7 Å²	56.7	38%	0.383	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	139.2	177.9	-177.9	-175.8	-171.6	0	0	109	I570 Y571 M678	I570-E676 CarbonylContact C-O 3.33Å; I570-E676 WeakPolarHBondContact CA-O 3.04Å; Y571-E676 HydrophobicContact CD2-CB 4Å; Y571-E676 HydrophobicContact CD2-CG 4.24Å; Y571-E676 VanDerWaalsContact CD2-OE2 3.23Å; Y571-E676 WeakPolarHBondContact CD2-OE2 3.42Å; Y571-E676 PolarHBondContact N-O 3.29Å; Y571-E676 PolarHBondContact O-N 2.65Å; E676-M678 HydrophobicContact CG-CG 4.28Å
677	V	83.4	Confident	78.1	Confident	25 Å²	25	44.2 Å²	44.2	15%	0.152	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	115.2	178.7	-177.1	0	0	0	0	108.7	W555 V557 V568 I570 V657 L674	W555-V677 HydrophobicContact CE3-CG2 4.07Å; W555-V677 HydrophobicContact CH2-CB 3.87Å; W555-V677 HydrophobicContact CH2-CG2 3.96Å; W555-V677 HydrophobicContact CZ3-CB 3.51Å; W555-V677 HydrophobicContact CZ3-CG1 3.85Å; W555-V677 HydrophobicContact CZ3-CG2 3.44Å; W555-V677 VanDerWaalsContact CZ3-CG2 3.44Å; V557-V677 HydrophobicContact CG2-CG1 4.18Å; V568-V677 HydrophobicContact CG1-CG1 3.45Å; V568-V677 VanDerWaalsContact CG1-CG1 3.45Å; I570-V677 HydrophobicContact CG1-CG1 4.31Å; I570-V677 HydrophobicContact CG1-CG2 4.32Å; I570-V677 HydrophobicContact CG2-CG2 4.36Å; V657-V677 HydrophobicContact CG2-CG1 4.4Å; L674-V677 HydrophobicContact CB-CG2 4.47Å
678	M	86.5	Confident	80	Confident	68 Å²	68	44 Å²	44	34%	0.335	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.9	178.1	-59.7	-178.4	-60.5	0	0	110	V568 V569 Y571 E676	V568-M678 CarbonylContact C-O 3.55Å; V568-M678 VanDerWaalsContact CA-O 3.3Å; V568-M678 WeakPolarHBondContact CA-O 3.48Å; V568-M678 WeakPolarHBondContact CG1-O 3.47Å; V569-M678 HydrophobicContact CB-CB 4.43Å; V569-M678 HydrophobicContact CB-CE 3.76Å; V569-M678 HydrophobicContact CG1-CE 3.67Å; V569-M678 HydrophobicContact CG2-CE 4.39Å; V569-M678 PolarHBondContact N-O 2.94Å; V569-M678 PolarHBondContact O-N 3.24Å; Y571-M678 HydrophobicContact CD2-CE 4.39Å; Y571-M678 HydrophobicContact CE2-CE 3.52Å; Y571-M678 HydrophobicContact CE2-SD 4.44Å; E676-M678 HydrophobicContact CG-CG 4.28Å
679	V	86.6	Confident	81.8	Confident	42 Å²	42	40 Å²	40	26%	0.255	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	139.7	176.1	-173.7	0	0	0	0	108.4	V557 L559 V565 V568 V655	V557-V679 HydrophobicContact CG2-CG2 4.47Å; L559-V679 HydrophobicContact CD1-CG1 4.37Å; L559-V679 HydrophobicContact CD2-CB 4.12Å; L559-V679 HydrophobicContact CD2-CG1 4.21Å; L559-V679 HydrophobicContact CD2-CG2 4.2Å; V565-V679 HydrophobicContact CB-CG1 4.25Å; V565-V679 HydrophobicContact CG1-CG1 3.57Å; V565-V679 HydrophobicContact CG2-CG1 3.82Å; V568-V679 HydrophobicContact CG2-CG2 4.33Å; V655-V679 HydrophobicContact CB-CG2 4.25Å; V655-V679 HydrophobicContact CG1-CG2 4.27Å; V655-V679 HydrophobicContact CG2-CG1 4.07Å; V655-V679 HydrophobicContact CG2-CG2 4.04Å
680	Y	89.4	Confident	83.1	Confident	111 Å²	111	35.5 Å²	35.5	44%	0.435	18%	0.176	S	C	.	.			trans	-141.5	0	178.5	70.9	-95	0	0	0	112.6	K566 G567 V569 H643	K566-Y680 WeakPolarHBondContact CA-O 2.98Å; K566-Y680 HydrophobicContact CB-CD2 3.92Å; K566-Y680 HydrophobicContact CB-CE2 3.81Å; K566-Y680 WeakPolarHBondContact CB-O 3.38Å; K566-Y680 PolarHBondContact N-O 2.94Å; G567-Y680 VanDerWaalsContact C-CE1 3.45Å; G567-Y680 PolarHBondContact N-O 2.93Å; G567-Y680 VanDerWaalsContact N-O 3.08Å; G567-Y680 WeakPolarHBondContact O-CD1 3.39Å; G567-Y680 PolarHBondContact O-N 3Å; G567-Y680 VanDerWaalsContact O-N 3.09Å; V569-Y680 HydrophobicContact CG2-CD1 4.34Å; V569-Y680 HydrophobicContact CG2-CE1 4.15Å; H643-Y680 AromaticContact CD2-CE1 3.89Å; H643-Y680 AromaticContact NE2-CE1 3.54Å; H643-Y680 AromaticContact NE2-CZ 3.43Å; H643-Y680 PolarHBondContact NE2-OH 3.1Å

Retrieved 680 of 680 residues in 151.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).