A0A087Y2N0_POEFO Loading...

Tumor necrosis factor receptor superfamily, member 21

AlphaFold DB , UniProt , Accession A0A087Y2N0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 687 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.2	Low	56.2	Low	204 Å²	204	111.5 Å²	111.5	100%	1.005	63%	0.625	S	S	*	*				0	-56.4	0	-86.7	178.6	164.4	0	0	113.4	S3 V4 I5	M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.2Å; M1-S3 VanDerWaalsContact O-N 3.11Å; M1-V4 PolarHBondContact O-N 3.09Å; M1-I5 PolarHBondContact O-N 2.94Å
2	M	47.6	Very low	57	Low	164 Å²	164	111.1 Å²	111.1	81%	0.808	62%	0.619	S	S	*	*	H	α-helix	trans	-47.3	-44.9	-170.8	-66.8	163.5	76.2	0	0	115.4	V4 I5 H6	M2-V4 VanDerWaalsContact C-N 3.31Å; M2-V4 PolarHBondContact O-N 3.05Å; M2-I5 PolarHBondContact O-N 3.11Å; M2-H6 PolarHBondContact O-N 3.24Å
3	S	47.3	Very low	57.5	Low	95 Å²	95	109.4 Å²	109.4	66%	0.664	62%	0.618	S	S	*	*	H	α-helix	trans	-61.6	-33.8	179.8	-36.2	0	0	0	0	114.1	M1 H6 V7	M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.2Å; M1-S3 VanDerWaalsContact O-N 3.11Å; S3-H6 PolarHBondContact O-N 3.24Å; S3-V7 WeakPolarHBondContact O-CG2 3.49Å; S3-V7 PolarHBondContact O-N 2.84Å
4	V	53.4	Low	58.4	Low	111 Å²	111	107.1 Å²	107.1	67%	0.673	61%	0.608	S	S	*	*	H	α-helix	trans	-71	-39.5	178.6	-176.6	0	0	0	0	110.5	M1 M2 H6 S8	M1-V4 PolarHBondContact O-N 3.09Å; M2-V4 VanDerWaalsContact C-N 3.31Å; M2-V4 PolarHBondContact O-N 3.05Å; V4-H6 VanDerWaalsContact C-N 3.32Å; V4-S8 WeakPolarHBondContact O-CB 3.31Å; V4-S8 PolarHBondContact O-N 3.26Å
5	I	56.1	Low	59.2	Low	114 Å²	114	104.7 Å²	104.7	59%	0.585	60%	0.595	S	S	*	*	H	α-helix	trans	-63.8	-41.9	174.7	-59.5	169.9	0	0	0	109.6	M1 M2 S8 A9	M1-I5 PolarHBondContact O-N 2.94Å; M2-I5 PolarHBondContact O-N 3.11Å; I5-S8 PolarHBondContact O-N 3.32Å; I5-A9 WeakPolarHBondContact O-CB 3.34Å; I5-A9 PolarHBondContact O-N 3.23Å
6	H	50.8	Low	60	Low	137 Å²	137	103.6 Å²	103.6	63%	0.634	59%	0.591	S	S	*	*	H	α-helix	trans	-67.4	-39.7	-179.1	-138.8	-42.3	0	0	0	113.1	M2 S3 V4 V10	M2-H6 PolarHBondContact O-N 3.24Å; S3-H6 PolarHBondContact O-N 3.24Å; V4-H6 VanDerWaalsContact C-N 3.32Å; H6-V10 WeakPolarHBondContact O-CG2 3.43Å; H6-V10 PolarHBondContact O-N 2.94Å; H6-V10 VanDerWaalsContact O-N 3.09Å
7	V	57.4	Low	60.3	Low	104 Å²	104	100.9 Å²	100.9	63%	0.63	59%	0.585	S	S	*	*	H	α-helix	trans	-67.3	-41.9	173.3	171.1	0	0	0	0	111.2	S3 V10 L11	S3-V7 WeakPolarHBondContact O-CG2 3.49Å; S3-V7 PolarHBondContact O-N 2.84Å; V7-V10 PolarHBondContact O-N 3.02Å; V7-L11 WeakPolarHBondContact O-CB 3.3Å; V7-L11 PolarHBondContact O-N 2.82Å
8	S	58.1	Low	60.1	Low	61 Å²	61	99.3 Å²	99.3	43%	0.427	57%	0.574	S	S	.	*	H	α-helix	trans	-61	-44.3	176	-172.8	0	0	0	0	112.1	V4 I5 L11 L12	V4-S8 WeakPolarHBondContact O-CB 3.31Å; V4-S8 PolarHBondContact O-N 3.26Å; I5-S8 PolarHBondContact O-N 3.32Å; S8-L11 PolarHBondContact O-N 2.95Å; S8-L12 WeakPolarHBondContact O-CB 3.1Å; S8-L12 WeakPolarHBondContact O-CG 3.44Å; S8-L12 PolarHBondContact O-N 3.24Å
9	A	60.3	Low	60.2	Low	45 Å²	45	99.5 Å²	99.5	37%	0.372	57%	0.571	S	S	.	*	H	α-helix	trans	-63.2	-42.9	176.7	0	0	0	0	0	112.5	I5 L12 C13	I5-A9 WeakPolarHBondContact O-CB 3.34Å; I5-A9 PolarHBondContact O-N 3.23Å; A9-L12 PolarHBondContact O-N 3.44Å; A9-C13 PolarHBondContact O-N 3.26Å; A9-C13 PolarHBondContact O-SG 3.29Å
10	V	68.1	Low	60.1	Low	83 Å²	83	97.6 Å²	97.6	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-64	-43	175.6	170.1	0	0	0	0	111.2	H6 V7 C13 T14	H6-V10 WeakPolarHBondContact O-CG2 3.43Å; H6-V10 PolarHBondContact O-N 2.94Å; H6-V10 VanDerWaalsContact O-N 3.09Å; V7-V10 PolarHBondContact O-N 3.02Å; V10-C13 PolarHBondContact O-N 2.86Å; V10-T14 PolarHBondContact O-N 3.35Å; V10-T14 PolarHBondContact O-OG1 3.27Å
11	L	65.9	Low	59.7	Low	109 Å²	109	95.4 Å²	95.4	57%	0.571	56%	0.557	S	S	*	*	H	α-helix	trans	-63.7	-41	177.4	-172.3	67.6	0	0	0	112	V7 S8 T14 V15	V7-L11 WeakPolarHBondContact O-CB 3.3Å; V7-L11 PolarHBondContact O-N 2.82Å; S8-L11 PolarHBondContact O-N 2.95Å; L11-T14 PolarHBondContact O-N 2.87Å; L11-T14 PolarHBondContact O-OG1 3.29Å; L11-V15 WeakPolarHBondContact O-CB 3.33Å; L11-V15 VanDerWaalsContact O-CG2 3.28Å; L11-V15 WeakPolarHBondContact O-CG2 3.39Å; L11-V15 PolarHBondContact O-N 3.19Å
12	L	66.3	Low	59.8	Low	106 Å²	106	92.8 Å²	92.8	56%	0.555	54%	0.536	S	S	*	.	H	α-helix	trans	-63.3	-42.7	173.4	-76.6	165.2	0	0	0	111.5	S8 A9 V15 V16	S8-L12 WeakPolarHBondContact O-CB 3.1Å; S8-L12 WeakPolarHBondContact O-CG 3.44Å; S8-L12 PolarHBondContact O-N 3.24Å; A9-L12 PolarHBondContact O-N 3.44Å; L12-V15 PolarHBondContact O-N 3.17Å; L12-V16 WeakPolarHBondContact O-CB 3.43Å; L12-V16 VanDerWaalsContact O-CG2 3.28Å; L12-V16 WeakPolarHBondContact O-CG2 3.42Å; L12-V16 PolarHBondContact O-N 2.75Å
13	C	63.5	Low	60	Low	89 Å²	89	88.3 Å²	88.3	60%	0.601	53%	0.525	S	S	*	.	H	α-helix	trans	-63.4	-40.7	175.9	-71.3	0	0	0	0	112.7	A9 V10 A17	A9-C13 PolarHBondContact O-N 3.26Å; A9-C13 PolarHBondContact O-SG 3.29Å; V10-C13 PolarHBondContact O-N 2.86Å; C13-A17 VanDerWaalsContact O-CB 3.26Å; C13-A17 WeakPolarHBondContact O-CB 3.32Å; C13-A17 PolarHBondContact O-N 3.46Å
14	T	69.7	Low	60	Low	78 Å²	78	91.2 Å²	91.2	48%	0.479	53%	0.533	S	S	.	.	H	α-helix	trans	-69.1	-40	176.5	53.7	0	0	0	0	112.2	V10 L11 A17 D18	V10-T14 PolarHBondContact O-N 3.35Å; V10-T14 PolarHBondContact O-OG1 3.27Å; L11-T14 PolarHBondContact O-N 2.87Å; L11-T14 PolarHBondContact O-OG1 3.29Å; T14-A17 PolarHBondContact O-N 3.23Å; T14-D18 WeakPolarHBondContact O-CB 3.44Å; T14-D18 PolarHBondContact O-N 2.81Å
15	V	70.7	Confident	59.6	Low	70 Å²	70	90.8 Å²	90.8	42%	0.424	53%	0.53	S	S	.	.	H	α-helix	trans	-66	-42	176	170	0	0	0	0	111.7	L11 L12 D18 I19	L11-V15 WeakPolarHBondContact O-CB 3.33Å; L11-V15 VanDerWaalsContact O-CG2 3.28Å; L11-V15 WeakPolarHBondContact O-CG2 3.39Å; L11-V15 PolarHBondContact O-N 3.19Å; L12-V15 PolarHBondContact O-N 3.17Å; V15-D18 PolarHBondContact O-N 2.73Å; V15-I19 HydrophobicContact CG1-CD1 3.69Å; V15-I19 HydrophobicContact CG1-CG1 4.41Å; V15-I19 WeakPolarHBondContact O-CB 3.2Å; V15-I19 VanDerWaalsContact O-CG1 3.23Å; V15-I19 WeakPolarHBondContact O-CG1 3.06Å; V15-I19 PolarHBondContact O-N 3.31Å
16	V	70.9	Confident	58.8	Low	87 Å²	87	90.6 Å²	90.6	53%	0.527	54%	0.535	S	S	.	.	H	α-helix	trans	-67.3	-37	175.7	170.7	0	0	0	0	111.5	L12 S20	L12-V16 WeakPolarHBondContact O-CB 3.43Å; L12-V16 VanDerWaalsContact O-CG2 3.28Å; L12-V16 WeakPolarHBondContact O-CG2 3.42Å; L12-V16 PolarHBondContact O-N 2.75Å; V16-S20 VanDerWaalsContact O-CB 3.29Å; V16-S20 WeakPolarHBondContact O-CB 3.36Å; V16-S20 PolarHBondContact O-N 3.38Å; V16-S20 PolarHBondContact O-OG 3.08Å
17	A	65.3	Low	58.5	Low	58 Å²	58	89.1 Å²	89.1	48%	0.479	54%	0.54	S	S	.	.	H	α-helix	trans	-65.8	-43.5	174.3	0	0	0	0	0	112.1	C13 T14 S20 A21	C13-A17 VanDerWaalsContact O-CB 3.26Å; C13-A17 WeakPolarHBondContact O-CB 3.32Å; C13-A17 PolarHBondContact O-N 3.46Å; T14-A17 PolarHBondContact O-N 3.23Å; A17-S20 PolarHBondContact O-N 3.28Å; A17-A21 WeakPolarHBondContact O-CB 3.04Å; A17-A21 PolarHBondContact O-N 3.27Å
18	D	58.1	Low	57.6	Low	73 Å²	73	88.7 Å²	88.7	39%	0.39	54%	0.538	S	S	.	.	H	α-helix	trans	-68.3	-40.9	178.5	-167.8	6.7	0	0	0	111.6	T14 V15 S20 A21 R22	T14-D18 WeakPolarHBondContact O-CB 3.44Å; T14-D18 PolarHBondContact O-N 2.81Å; V15-D18 PolarHBondContact O-N 2.73Å; D18-S20 VanDerWaalsContact C-N 3.34Å; D18-S20 PolarHBondContact O-N 3.17Å; D18-A21 PolarHBondContact O-N 3.28Å; D18-R22 VanDerWaalsContact CG-NE 3.35Å; D18-R22 VanDerWaalsContact CG-NH2 3.32Å; D18-R22 WeakPolarHBondContact O-CB 3.44Å; D18-R22 VanDerWaalsContact O-CG 3.23Å; D18-R22 WeakPolarHBondContact O-CG 3.47Å; D18-R22 PolarHBondContact O-N 2.03Å; D18-R22 IonicContact OD1-CZ 3.46Å; D18-R22 IonicContact OD1-NE 3.84Å; D18-R22 PolarHBondContact OD1-NE 3.45Å; D18-R22 IonicContact OD1-NH2 2.69Å; D18-R22 PolarHBondContact OD1-NH2 3.47Å; D18-R22 IonicContact OD2-CZ 2.9Å; D18-R22 IonicContact OD2-NE 3.77Å; D18-R22 IonicContact OD2-NH2 3.97Å; D18-R22 PolarHBondContact OD2-NH2 3.13Å
19	I	61.8	Low	57	Low	103 Å²	103	91.2 Å²	91.2	53%	0.528	56%	0.562	S	S	.	*	H	α-helix	trans	-61.8	-41.5	171.1	-70.1	168.2	0	0	0	111.1	V15 R22 A23	V15-I19 HydrophobicContact CG1-CD1 3.69Å; V15-I19 HydrophobicContact CG1-CG1 4.41Å; V15-I19 WeakPolarHBondContact O-CB 3.2Å; V15-I19 VanDerWaalsContact O-CG1 3.23Å; V15-I19 WeakPolarHBondContact O-CG1 3.06Å; V15-I19 PolarHBondContact O-N 3.31Å; I19-R22 PolarHBondContact O-N 2.82Å; I19-A23 WeakPolarHBondContact O-CB 3.37Å; I19-A23 PolarHBondContact O-N 2.87Å
20	S	57.2	Low	56.3	Low	60 Å²	60	96.1 Å²	96.1	42%	0.42	58%	0.582	S	S	.	*	H	α-helix	trans	-66.2	-40.2	177.5	-58.2	0	0	0	0	112.1	V16 A17 D18 L24	V16-S20 VanDerWaalsContact O-CB 3.29Å; V16-S20 WeakPolarHBondContact O-CB 3.36Å; V16-S20 PolarHBondContact O-N 3.38Å; V16-S20 PolarHBondContact O-OG 3.08Å; A17-S20 PolarHBondContact O-N 3.28Å; D18-S20 VanDerWaalsContact C-N 3.34Å; D18-S20 PolarHBondContact O-N 3.17Å; S20-L24 PolarHBondContact O-N 3.27Å; S20-L24 VanDerWaalsContact O-N 3.16Å
21	A	52.9	Low	55.2	Low	52 Å²	52	98.1 Å²	98.1	43%	0.43	59%	0.59	S	S	.	*	H	α-helix	trans	-64.2	-44.1	174.3	0	0	0	0	0	111.3	A17 D18 L24 T25	A17-A21 WeakPolarHBondContact O-CB 3.04Å; A17-A21 PolarHBondContact O-N 3.27Å; D18-A21 PolarHBondContact O-N 3.28Å; A21-L24 WeakPolarHBondContact O-CB 3.31Å; A21-L24 PolarHBondContact O-N 2.81Å; A21-T25 PolarHBondContact O-N 3.36Å; A21-T25 PolarHBondContact O-OG1 2.95Å
22	R	53.6	Low	54.4	Low	149 Å²	149	101 Å²	101	56%	0.562	60%	0.601	S	S	*	*	H	α-helix	trans	-64.3	-42	177.1	-70	171.3	-162.4	-143.6	8.4	112.1	D18 I19 L24 T25 T26	D18-R22 VanDerWaalsContact CG-NE 3.35Å; D18-R22 VanDerWaalsContact CG-NH2 3.32Å; D18-R22 WeakPolarHBondContact O-CB 3.44Å; D18-R22 VanDerWaalsContact O-CG 3.23Å; D18-R22 WeakPolarHBondContact O-CG 3.47Å; D18-R22 PolarHBondContact O-N 2.03Å; D18-R22 IonicContact OD1-CZ 3.46Å; D18-R22 IonicContact OD1-NE 3.84Å; D18-R22 PolarHBondContact OD1-NE 3.45Å; D18-R22 IonicContact OD1-NH2 2.69Å; D18-R22 PolarHBondContact OD1-NH2 3.47Å; D18-R22 IonicContact OD2-CZ 2.9Å; D18-R22 IonicContact OD2-NE 3.77Å; D18-R22 IonicContact OD2-NH2 3.97Å; D18-R22 PolarHBondContact OD2-NH2 3.13Å; I19-R22 PolarHBondContact O-N 2.82Å; R22-L24 PolarHBondContact O-N 2.96Å; R22-T25 WeakPolarHBondContact CA-OG1 3.2Å; R22-T25 CarbonylContact O-C 3.56Å; R22-T25 WeakPolarHBondContact O-CA 3.32Å; R22-T25 PolarHBondContact O-N 3.27Å; R22-T25 PolarHBondContact O-OG1 3.4Å; R22-T26 PolarHBondContact O-N 3.3Å; R22-T26 VanDerWaalsContact O-N 3.1Å
23	A	52	Low	53.8	Low	70 Å²	70	100.6 Å²	100.6	58%	0.579	61%	0.605	S	S	*	*	H	α-helix	trans	-63.7	-23	174.7	0	0	0	0	0	113.7	I19 T25 T26	I19-A23 WeakPolarHBondContact O-CB 3.37Å; I19-A23 PolarHBondContact O-N 2.87Å; A23-T25 VanDerWaalsContact C-N 3.34Å; A23-T26 PolarHBondContact O-OG1 3.11Å
24	L	47.5	Very low	53.5	Low	156 Å²	156	104.7 Å²	104.7	82%	0.817	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-5.8	170.1	-79.6	162.9	0	0	0	113.8	S20 A21 R22	S20-L24 PolarHBondContact O-N 3.27Å; S20-L24 VanDerWaalsContact O-N 3.16Å; A21-L24 WeakPolarHBondContact O-CB 3.31Å; A21-L24 PolarHBondContact O-N 2.81Å; R22-L24 PolarHBondContact O-N 2.96Å
25	T	45.4	Very low	53.2	Low	102 Å²	102	104 Å²	104	63%	0.626	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	-3.6	-179.1	59	0	0	0	0	114.7	A21 R22 A23 S27	A21-T25 PolarHBondContact O-N 3.36Å; A21-T25 PolarHBondContact O-OG1 2.95Å; R22-T25 WeakPolarHBondContact CA-OG1 3.2Å; R22-T25 CarbonylContact O-C 3.56Å; R22-T25 WeakPolarHBondContact O-CA 3.32Å; R22-T25 PolarHBondContact O-N 3.27Å; R22-T25 PolarHBondContact O-OG1 3.4Å; A23-T25 VanDerWaalsContact C-N 3.34Å; T25-S27 PolarHBondContact O-N 3.14Å
26	T	39.9	Very low	53.2	Low	110 Å²	110	103.6 Å²	103.6	68%	0.675	61%	0.613	S	S	*	*			trans	-76.5	67.6	167.2	49.7	0	0	0	0	110.4	R22 A23 T28	R22-T26 PolarHBondContact O-N 3.3Å; R22-T26 VanDerWaalsContact O-N 3.1Å; A23-T26 PolarHBondContact O-OG1 3.11Å; T26-T28 PolarHBondContact O-N 3.18Å
27	S	43.1	Very low	53.6	Low	106 Å²	106	104.5 Å²	104.5	74%	0.741	62%	0.62	S	S	*	*			trans	-64.8	115.7	169.1	55.9	0	0	0	0	109.4	T25 A29	T25-S27 PolarHBondContact O-N 3.14Å; S27-A29 PolarHBondContact O-N 3.22Å
28	T	39.4	Very low	54.7	Low	95 Å²	95	108.8 Å²	108.8	58%	0.583	62%	0.624	S	S	*	*			trans	-55.3	125.2	166.8	17.2	0	0	0	0	109.6	T26 D30 D31	T26-T28 PolarHBondContact O-N 3.18Å; T28-D30 PolarHBondContact O-N 2.85Å; T28-D31 PolarHBondContact O-N 2.57Å; T28-D31 PolarHBondContact OG1-OD2 2.96Å
29	A	46.3	Very low	56.3	Low	115 Å²	115	108.1 Å²	108.1	95%	0.95	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	28.1	-172.7	0	0	0	0	0	114.3	S27	S27-A29 PolarHBondContact O-N 3.22Å
30	D	45.3	Very low	57.8	Low	148 Å²	148	104.4 Å²	104.4	79%	0.791	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	4.5	179.9	-147.7	12.4	0	0	0	112.4	T28 Q32	T28-D30 PolarHBondContact O-N 2.85Å; D30-Q32 PolarHBondContact O-N 3.31Å
31	D	44.3	Very low	59.4	Low	125 Å²	125	105.4 Å²	105.4	67%	0.668	60%	0.596	S	S	*	*			trans	-79.8	67	166.4	-78.2	-72.7	0	0	0	110.5	T28 P33	T28-D31 PolarHBondContact O-N 2.57Å; T28-D31 PolarHBondContact OG1-OD2 2.96Å; D31-P33 WeakPolarHBondContact O-CD 3.33Å
32	Q	49.2	Very low	61.3	Low	170 Å²	170	104.6 Å²	104.6	79%	0.794	58%	0.583	S	S	*	*			trans	-61	125.6	158.1	-73.7	-158.1	-74.5	0	0	107.9	D30 L34	D30-Q32 PolarHBondContact O-N 3.31Å; Q32-L34 PolarHBondContact O-N 3.28Å
33	P	53.2	Low	63.2	Low	97 Å²	97	101.5 Å²	101.5	63%	0.63	58%	0.581	S	S	*	*			trans	-63.1	108.9	176.6	25.1	-32.8	0	0	0	108.8	D31 L35	D31-P33 WeakPolarHBondContact O-CD 3.33Å; P33-L35 VanDerWaalsContact C-N 3.3Å; P33-L35 PolarHBondContact O-N 3.41Å
34	L	56.8	Low	65	Low	174 Å²	174	99.2 Å²	99.2	91%	0.911	56%	0.559	S	S	*	*			trans	-60.9	91.1	179.2	-101.3	166.9	0	0	0	109.7	Q32 S36	Q32-L34 PolarHBondContact O-N 3.28Å; L34-S36 PolarHBondContact O-N 3.03Å; L34-S36 VanDerWaalsContact O-N 3.09Å
35	L	64.9	Low	66.9	Low	65 Å²	65	102.5 Å²	102.5	34%	0.34	56%	0.561	S	S	.	*			trans	-53.8	117.1	176.9	-73.8	153.8	0	0	0	108.5	P33 Q41 V52	P33-L35 VanDerWaalsContact C-N 3.3Å; P33-L35 PolarHBondContact O-N 3.41Å; L35-Q41 HydrophobicContact CD1-CG 3.89Å; L35-Q41 HydrophobicContact CD2-CG 4.11Å; L35-V52 HydrophobicContact CD2-CG1 3.8Å; L35-V52 HydrophobicContact CD2-CG2 4.08Å
36	S	70.7	Confident	68.9	Low	61 Å²	61	104.5 Å²	104.5	43%	0.427	57%	0.567	S	S	.	*			trans	-47.7	132.6	171.4	160.8	0	0	0	0	108.8	L34 R38 H39	L34-S36 PolarHBondContact O-N 3.03Å; L34-S36 VanDerWaalsContact O-N 3.09Å; S36-R38 PolarHBondContact O-N 2.89Å; S36-H39 PolarHBondContact O-N 3.05Å; S36-H39 PolarHBondContact O-ND1 3.29Å
37	P	79.5	Confident	71	Confident	105 Å²	105	102.2 Å²	102.2	68%	0.682	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	-20	-167.8	-31.6	35.7	0	0	0	116	H39 K55	P37-H39 VanDerWaalsContact C-N 3.35Å; P37-K55 WeakPolarHBondContact O-CD 3.38Å; P37-K55 WeakPolarHBondContact O-CE 3.5Å; P37-K55 PolarHBondContact O-NZ 3.36Å
38	R	86.8	Confident	73.1	Confident	149 Å²	149	99.7 Å²	99.7	56%	0.562	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-8.4	174.6	-63.2	-68.1	171.9	156.5	-2.8	115.5	S36 K55 E86	S36-R38 PolarHBondContact O-N 2.89Å; R38-K55 WeakPolarHBondContact O-CB 3.29Å; R38-K55 WeakPolarHBondContact O-CG 3.35Å; R38-K55 PolarHBondContact O-N 3.24Å; R38-E86 VanDerWaalsContact CD-OE1 3.3Å; R38-E86 WeakPolarHBondContact CD-OE1 3.49Å; R38-E86 WeakPolarHBondContact CD-OE2 3.47Å; R38-E86 IonicContact CZ-OE1 2.68Å; R38-E86 IonicContact CZ-OE2 3.68Å; R38-E86 IonicContact NE-OE1 3.66Å; R38-E86 IonicContact NE-OE2 3.85Å; R38-E86 PolarHBondContact NE-OE2 3Å; R38-E86 IonicContact NH1-OE1 3.35Å; R38-E86 PolarHBondContact NH1-OE1 2.63Å; R38-E86 IonicContact NH1-OE2 3.9Å; R38-E86 PolarHBondContact NH1-OE2 3.1Å; R38-E86 VanDerWaalsContact NH1-OE2 3.14Å; R38-E86 IonicContact NH2-OE2 2.66Å
39	H	92.3	Very high	75.4	Confident	59 Å²	59	98.2 Å²	98.2	27%	0.273	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	159.5	-171.7	-52.8	80.4	0	0	0	113.2	S36 P37 V52 C53 D54 K55	S36-H39 PolarHBondContact O-N 3.05Å; S36-H39 PolarHBondContact O-ND1 3.29Å; P37-H39 VanDerWaalsContact C-N 3.35Å; H39-V52 HydrophobicContact CB-CG1 3.7Å; H39-C53 CarbonylContact C-O 3.56Å; H39-C53 VanDerWaalsContact CA-O 3.22Å; H39-C53 WeakPolarHBondContact CA-O 3.43Å; H39-C53 WeakPolarHBondContact CB-O 3.23Å; H39-D54 IonicContact CD2-OD1 3.41Å; H39-D54 IonicContact NE2-OD1 3.53Å; H39-K55 WeakPolarHBondContact O-CE 3.06Å
40	Y	92.6	Very high	77.6	Confident	24 Å²	24	98.6 Å²	98.6	9%	0.094	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155.7	172.1	73.6	-81.6	0	0	0	111.2	H42 C53 D54 K55 V62 H65	Y40-H42 HydrophobicContact CE2-CB 4.05Å; Y40-C53 HydrophobicContact CD1-CB 4.08Å; Y40-C53 WeakPolarHBondContact CD1-O 3.45Å; Y40-C53 HydrophobicContact CE1-CB 3.53Å; Y40-C53 HydrophobicContact CE2-CB 4.25Å; Y40-C53 PolarHBondContact N-O 3.09Å; Y40-C53 PolarHBondContact O-N 2.92Å; Y40-D54 VanDerWaalsContact CE1-O 3.24Å; Y40-D54 WeakPolarHBondContact CE1-O 3.21Å; Y40-K55 HydrophobicContact CD1-CG 3.91Å; Y40-V62 HydrophobicContact CE1-CG2 4.19Å; Y40-H65 AromaticContact CE2-CE1 3.31Å; Y40-H65 WeakPolarHBondContact CE2-CE1 3.31Å; Y40-H65 AromaticContact CE2-ND1 3.49Å; Y40-H65 WeakPolarHBondContact CE2-ND1 3.43Å; Y40-H65 AromaticContact CZ-CE1 3.79Å; Y40-H65 AromaticContact CZ-ND1 3.54Å; Y40-H65 PolarHBondContact OH-ND1 2.7Å
41	Q	92.4	Very high	79.7	Confident	81 Å²	81	92.9 Å²	92.9	38%	0.379	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	139.2	173.5	-80.1	173.5	-0.9	0	0	111.3	L35 Q50 L51	L35-Q41 HydrophobicContact CD1-CG 3.89Å; L35-Q41 HydrophobicContact CD2-CG 4.11Å; Q41-Q50 HydrophobicContact CG-CG 4.48Å; Q41-L51 WeakPolarHBondContact CA-O 3.36Å
42	H	92.4	Very high	82.1	Confident	35 Å²	35	91 Å²	91	16%	0.162	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134	171.2	176.2	61.3	0	0	0	109.1	Y40 L51 H65	Y40-H42 HydrophobicContact CE2-CB 4.05Å; H42-L51 PolarHBondContact N-O 3.12Å; H42-L51 PolarHBondContact O-N 2.65Å; H42-H65 VanDerWaalsContact CD2-CB 3.43Å; H42-H65 WeakPolarHBondContact CD2-CB 3.34Å; H42-H65 AromaticContact CD2-CG 3.82Å; H42-H65 AromaticContact CE1-CD2 3.43Å; H42-H65 PolarHBondContact CE1-CD2 2.91Å; H42-H65 VanDerWaalsContact CE1-CD2 3.43Å; H42-H65 AromaticContact CE1-CG 3.43Å; H42-H65 VanDerWaalsContact CE1-CG 3.43Å; H42-H65 AromaticContact CE1-ND1 3.93Å; H42-H65 AromaticContact CG-CG 3.72Å; H42-H65 AromaticContact CG-ND1 3.66Å; H42-H65 AromaticContact ND1-CD2 3.73Å; H42-H65 AromaticContact ND1-CG 3.47Å; H42-H65 AromaticContact ND1-ND1 3.48Å; H42-H65 PolarHBondContact ND1-ND1 3.18Å; H42-H65 WeakPolarHBondContact NE2-CB 3.37Å; H42-H65 AromaticContact NE2-CD2 3.93Å; H42-H65 AromaticContact NE2-CG 3.62Å
43	T	92.7	Very high	84.2	Confident	84 Å²	84	83 Å²	83	52%	0.515	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	112.9	166.8	-53.7	0	0	0	0	108.1	R45 T49	T43-R45 PolarHBondContact O-N 3.07Å; T43-T49 WeakPolarHBondContact CA-O 3.27Å
44	D	90.1	Very high	86.1	Confident	23 Å²	23	82 Å²	82	12%	0.123	43%	0.434	C	S	.	.			trans	-61	132.2	175.9	171.6	60.7	0	0	0	110.4	S47 G48 T49 L51	D44-S47 WeakPolarHBondContact OD2-CB 3.36Å; D44-S47 PolarHBondContact OD2-N 3.06Å; D44-S47 PolarHBondContact OD2-OG 3.19Å; D44-G48 WeakPolarHBondContact O-CA 3.36Å; D44-G48 PolarHBondContact O-N 3.09Å; D44-T49 PolarHBondContact N-O 3.47Å; D44-L51 HydrophobicContact CB-CD1 3.87Å; D44-L51 HydrophobicContact CB-CG 4.44Å
45	R	88.5	Confident	88	Confident	225 Å²	225	76.2 Å²	76.2	85%	0.849	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-32.7	-168.9	-168.2	-179.2	114.2	134.6	4.5	113	T43	T43-R45 PolarHBondContact O-N 3.07Å
46	D	85.4	Confident	89.5	Confident	143 Å²	143	73.1 Å²	73.1	77%	0.765	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-28.3	-168.7	-60.9	-25.9	0	0	0	112.1
47	S	85.9	Confident	90.8	Very high	63 Å²	63	73.2 Å²	73.2	44%	0.441	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-16.7	171.4	70.5	0	0	0	0	114.8	D44 T49	D44-S47 WeakPolarHBondContact OD2-CB 3.36Å; D44-S47 PolarHBondContact OD2-N 3.06Å; D44-S47 PolarHBondContact OD2-OG 3.19Å; S47-T49 WeakPolarHBondContact CB-OG1 3.4Å; S47-T49 PolarHBondContact O-N 3.42Å; S47-T49 WeakPolarHBondContact OG-CB 3.35Å; S47-T49 PolarHBondContact OG-N 3.04Å; S47-T49 PolarHBondContact OG-OG1 3.18Å
48	G	86.3	Confident	91.6	Very high	53 Å²	53	70 Å²	70	55%	0.546	37%	0.367	S	S	.	.			trans	70.6	5.6	-172	0	0	0	0	0	114.5	D44	D44-G48 WeakPolarHBondContact O-CA 3.36Å; D44-G48 PolarHBondContact O-N 3.09Å
49	T	88.3	Confident	92.1	Very high	64 Å²	64	63.4 Å²	63.4	39%	0.393	35%	0.345	S	S	.	.			trans	-76.5	134.4	-174.8	-49.2	0	0	0	0	111.2	T43 D44 S47 L51	T43-T49 WeakPolarHBondContact CA-O 3.27Å; D44-T49 PolarHBondContact N-O 3.47Å; S47-T49 WeakPolarHBondContact CB-OG1 3.4Å; S47-T49 PolarHBondContact O-N 3.42Å; S47-T49 WeakPolarHBondContact OG-CB 3.35Å; S47-T49 PolarHBondContact OG-N 3.04Å; S47-T49 PolarHBondContact OG-OG1 3.18Å; T49-L51 HydrophobicContact CG2-CD2 3.88Å; T49-L51 PolarHBondContact O-N 2.93Å
50	Q	91.2	Very high	92.4	Very high	122 Å²	122	61.8 Å²	61.8	57%	0.57	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	120.4	167.7	-173.2	176.8	74.2	0	0	110.1	Q41	Q41-Q50 HydrophobicContact CG-CG 4.48Å
51	L	91.1	Very high	92.6	Very high	28 Å²	28	63.4 Å²	63.4	15%	0.147	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	157	-179.4	-57.9	178.6	0	0	0	110.9	Q41 H42 D44 T49 C66 S67 P68	Q41-L51 WeakPolarHBondContact CA-O 3.36Å; H42-L51 PolarHBondContact N-O 3.12Å; H42-L51 PolarHBondContact O-N 2.65Å; D44-L51 HydrophobicContact CB-CD1 3.87Å; D44-L51 HydrophobicContact CB-CG 4.44Å; T49-L51 HydrophobicContact CG2-CD2 3.88Å; T49-L51 PolarHBondContact O-N 2.93Å; L51-C66 WeakPolarHBondContact CD1-O 3.26Å; L51-S67 VanDerWaalsContact CD1-C 3.47Å; L51-P68 HydrophobicContact CD1-CG 4.33Å; L51-P68 HydrophobicContact CD2-CG 4.38Å
52	V	93.4	Very high	92.8	Very high	86 Å²	86	59.7 Å²	59.7	52%	0.521	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	110.5	172.6	178.7	0	0	0	0	107.8	L35 H39	L35-V52 HydrophobicContact CD2-CG1 3.8Å; L35-V52 HydrophobicContact CD2-CG2 4.08Å; H39-V52 HydrophobicContact CB-CG1 3.7Å
53	C	93.5	Very high	93	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.014	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	147.2	-178.7	-54.5	0	0	0	0	111.2	H39 Y40 C66 R72	H39-C53 CarbonylContact C-O 3.56Å; H39-C53 VanDerWaalsContact CA-O 3.22Å; H39-C53 WeakPolarHBondContact CA-O 3.43Å; H39-C53 WeakPolarHBondContact CB-O 3.23Å; Y40-C53 HydrophobicContact CD1-CB 4.08Å; Y40-C53 WeakPolarHBondContact CD1-O 3.45Å; Y40-C53 HydrophobicContact CE1-CB 3.53Å; Y40-C53 HydrophobicContact CE2-CB 4.25Å; Y40-C53 PolarHBondContact N-O 3.09Å; Y40-C53 PolarHBondContact O-N 2.92Å; C53-C66 WeakPolarHBondContact CA-SG 3.46Å; C53-C66 HydrophobicContact CB-CB 3.87Å; C53-C66 WeakPolarHBondContact CB-SG 3.47Å; C53-C66 WeakPolarHBondContact SG-CB 3.29Å; C53-C66 PolarHBondContact SG-N 3.32Å; C53-C66 VanDerWaalsContact SG-N 3.42Å; C53-C66 CovalentContact SG-SG 2.04Å; C53-C66 PolarHBondContact SG-SG 3.48Å; C53-R72 HydrophobicContact CB-CG 4.37Å
54	D	94.3	Very high	93.2	Very high	75 Å²	75	59.7 Å²	59.7	40%	0.401	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	141.1	165.1	-64.3	-49.7	0	0	0	110.8	H39 Y40 R72	H39-D54 IonicContact CD2-OD1 3.41Å; H39-D54 IonicContact NE2-OD1 3.53Å; Y40-D54 VanDerWaalsContact CE1-O 3.24Å; Y40-D54 WeakPolarHBondContact CE1-O 3.21Å; D54-R72 HydrophobicContact CB-CG 4.38Å; D54-R72 WeakPolarHBondContact O-CD 3.43Å; D54-R72 VanDerWaalsContact O-CG 3.24Å; D54-R72 WeakPolarHBondContact O-CG 3.11Å; D54-R72 PolarHBondContact O-NE 3.27Å
55	K	95.8	Very high	93.4	Very high	54 Å²	54	60.5 Å²	60.5	24%	0.235	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-69.1	151.4	169	-73.5	177	-179.5	170.5	0	111.5	P37 R38 H39 Y40 R72 E86 N87	P37-K55 WeakPolarHBondContact O-CD 3.38Å; P37-K55 WeakPolarHBondContact O-CE 3.5Å; P37-K55 PolarHBondContact O-NZ 3.36Å; R38-K55 WeakPolarHBondContact O-CB 3.29Å; R38-K55 WeakPolarHBondContact O-CG 3.35Å; R38-K55 PolarHBondContact O-N 3.24Å; H39-K55 WeakPolarHBondContact O-CE 3.06Å; Y40-K55 HydrophobicContact CD1-CG 3.91Å; K55-R72 PolarHBondContact O-NE 3.44Å; K55-R72 PolarHBondContact O-NH2 3.06Å; K55-E86 HydrophobicContact CB-CB 4.02Å; K55-E86 HydrophobicContact CD-CB 4.08Å; K55-N87 CarbonylContact C-O 3.55Å; K55-N87 WeakPolarHBondContact CA-O 3.37Å; K55-N87 WeakPolarHBondContact CB-O 3.47Å
56	C	96.6	Very high	93.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-79.8	146.8	166.6	-74.2	0	0	0	0	110.6	T60 V62 R72 C74 E86 N87	C56-T60 WeakPolarHBondContact CB-OG1 3.23Å; C56-V62 HydrophobicContact CB-CG2 4.39Å; C56-R72 VanDerWaalsContact SG-CD 3.5Å; C56-C74 WeakPolarHBondContact CA-SG 2.96Å; C56-C74 HydrophobicContact CB-CB 3.81Å; C56-C74 WeakPolarHBondContact CB-SG 3.24Å; C56-C74 VanDerWaalsContact SG-CA 3.52Å; C56-C74 WeakPolarHBondContact SG-CB 3.03Å; C56-C74 CovalentContact SG-SG 2.03Å; C56-C74 PolarHBondContact SG-SG 3.08Å; C56-E86 CarbonylContact O-C 3.51Å; C56-E86 WeakPolarHBondContact O-CA 3.34Å; C56-N87 PolarHBondContact N-O 3.1Å; C56-N87 PolarHBondContact O-N 2.78Å; C56-N87 PolarHBondContact O-ND2 2.93Å
57	P	96.7	Very high	93.9	Very high	62 Å²	62	45.1 Å²	45.1	40%	0.403	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-67.9	163.8	179.7	27.4	-34.7	0	0	0	113.4	T60 N87	P57-T60 WeakPolarHBondContact CD-OG1 3.37Å; P57-T60 HydrophobicContact CG-CG2 4.11Å; P57-T60 WeakPolarHBondContact CG-OG1 3.23Å; P57-T60 PolarHBondContact O-N 3.23Å; P57-T60 VanDerWaalsContact O-N 3.12Å; P57-T60 PolarHBondContact O-OG1 3.09Å; P57-N87 PolarHBondContact O-ND2 3.31Å
58	A	97.2	Very high	94	Very high	39 Å²	39	46 Å²	46	32%	0.322	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	142.7	168.2	0	0	0	0	0	110.9	T60 T83 T112	A58-T60 VanDerWaalsContact C-N 3.28Å; A58-T83 WeakPolarHBondContact CA-O 3.34Å; A58-T83 WeakPolarHBondContact CB-O 3.41Å; A58-T112 HydrophobicContact CB-CG2 4.16Å
59	G	97.2	Very high	94.1	Very high	9 Å²	9	49.8 Å²	49.8	9%	0.093	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	84	-2.8	-171.8	0	0	0	0	0	115.2	C77 T83 A111	G59-C77 PolarHBondContact O-N 2.91Å; G59-T83 PolarHBondContact N-O 3.04Å; G59-T83 VanDerWaalsContact N-O 3.07Å; G59-T83 PolarHBondContact N-OG1 3.01Å; G59-A111 VanDerWaalsContact CA-O 3.29Å; G59-A111 WeakPolarHBondContact CA-O 3.49Å
60	T	97.8	Very high	94.2	Very high	26 Å²	26	50.2 Å²	50.2	16%	0.16	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	165.7	178.5	69.8	0	0	0	0	112	C56 P57 A58 S75 T83 N87	C56-T60 WeakPolarHBondContact CB-OG1 3.23Å; P57-T60 WeakPolarHBondContact CD-OG1 3.37Å; P57-T60 HydrophobicContact CG-CG2 4.11Å; P57-T60 WeakPolarHBondContact CG-OG1 3.23Å; P57-T60 PolarHBondContact O-N 3.23Å; P57-T60 VanDerWaalsContact O-N 3.12Å; P57-T60 PolarHBondContact O-OG1 3.09Å; A58-T60 VanDerWaalsContact C-N 3.28Å; T60-S75 CarbonylContact C-O 3.45Å; T60-S75 WeakPolarHBondContact CA-O 3.43Å; T60-S75 WeakPolarHBondContact CB-O 3.39Å; T60-T83 PolarHBondContact N-OG1 3.31Å; T60-T83 PolarHBondContact O-OG1 3.08Å; T60-N87 PolarHBondContact O-ND2 3.41Å; T60-N87 PolarHBondContact O-OD1 2.99Å
61	Y	97.7	Very high	94.3	Very high	58 Å²	58	50.1 Å²	50.1	23%	0.227	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	163.5	172.3	70.5	-83	0	0	0	110.3	S63 C74 S75 P76 V89 Q90	Y61-S63 PolarHBondContact O-N 2.92Å; Y61-C74 CarbonylContact O-C 3.52Å; Y61-C74 VanDerWaalsContact O-CA 3.27Å; Y61-C74 WeakPolarHBondContact O-CA 3.3Å; Y61-S75 VanDerWaalsContact CD1-O 3.23Å; Y61-S75 WeakPolarHBondContact CD1-O 3.38Å; Y61-S75 PolarHBondContact N-O 3.36Å; Y61-S75 PolarHBondContact O-N 3.25Å; Y61-P76 WeakPolarHBondContact CE1-O 3.48Å; Y61-V89 WeakPolarHBondContact CB-O 3.27Å; Y61-Q90 WeakPolarHBondContact CD2-O 3.39Å
62	V	97.7	Very high	94.5	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	109.2	176.3	-177.7	0	0	0	0	109.6	Y40 C56 V64 E73 V89	Y40-V62 HydrophobicContact CE1-CG2 4.19Å; C56-V62 HydrophobicContact CB-CG2 4.39Å; V62-V64 WeakPolarHBondContact CG1-O 3.45Å; V62-E73 WeakPolarHBondContact CA-O 3.44Å; V62-V89 PolarHBondContact N-O 3.41Å
63	S	96.6	Very high	94.7	Very high	44 Å²	44	52.5 Å²	52.5	31%	0.308	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-37.3	171.5	43.7	0	0	0	0	112.1	Y61 E73 S75	Y61-S63 PolarHBondContact O-N 2.92Å; S63-E73 PolarHBondContact N-O 3.46Å; S63-E73 PolarHBondContact OG-O 3.49Å; S63-E73 PolarHBondContact OG-OE2 2.7Å; S63-S75 VanDerWaalsContact CB-OG 3.26Å; S63-S75 WeakPolarHBondContact CB-OG 3.48Å; S63-S75 PolarHBondContact OG-OG 3.14Å; S63-S75 VanDerWaalsContact OG-OG 3.07Å
64	V	95	Very high	94.9	Very high	76 Å²	76	54.2 Å²	54.2	46%	0.461	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	129.8	175.1	-171.9	0	0	0	0	108.5	V62 R72 E73	V62-V64 WeakPolarHBondContact CG1-O 3.45Å; V64-R72 CarbonylContact O-C 3.59Å; V64-R72 WeakPolarHBondContact O-CA 3.41Å; V64-E73 HydrophobicContact CB-CB 4Å; V64-E73 HydrophobicContact CG2-CB 4.34Å; V64-E73 PolarHBondContact O-N 3.45Å
65	H	95.3	Very high	95.1	Very high	39 Å²	39	52.1 Å²	52.1	18%	0.181	31%	0.306	C	S	.	.			trans	-70.6	167.5	177.2	-73.7	-78.9	0	0	0	111.9	Y40 H42 G88 Q90	Y40-H65 AromaticContact CE2-CE1 3.31Å; Y40-H65 WeakPolarHBondContact CE2-CE1 3.31Å; Y40-H65 AromaticContact CE2-ND1 3.49Å; Y40-H65 WeakPolarHBondContact CE2-ND1 3.43Å; Y40-H65 AromaticContact CZ-CE1 3.79Å; Y40-H65 AromaticContact CZ-ND1 3.54Å; Y40-H65 PolarHBondContact OH-ND1 2.7Å; H42-H65 VanDerWaalsContact CD2-CB 3.43Å; H42-H65 WeakPolarHBondContact CD2-CB 3.34Å; H42-H65 AromaticContact CD2-CG 3.82Å; H42-H65 AromaticContact CE1-CD2 3.43Å; H42-H65 PolarHBondContact CE1-CD2 2.91Å; H42-H65 VanDerWaalsContact CE1-CD2 3.43Å; H42-H65 AromaticContact CE1-CG 3.43Å; H42-H65 VanDerWaalsContact CE1-CG 3.43Å; H42-H65 AromaticContact CE1-ND1 3.93Å; H42-H65 AromaticContact CG-CG 3.72Å; H42-H65 AromaticContact CG-ND1 3.66Å; H42-H65 AromaticContact ND1-CD2 3.73Å; H42-H65 AromaticContact ND1-CG 3.47Å; H42-H65 AromaticContact ND1-ND1 3.48Å; H42-H65 PolarHBondContact ND1-ND1 3.18Å; H42-H65 WeakPolarHBondContact NE2-CB 3.37Å; H42-H65 AromaticContact NE2-CD2 3.93Å; H42-H65 AromaticContact NE2-CG 3.62Å; H65-G88 PolarHBondContact CE1-O 3.3Å; H65-Q90 PolarHBondContact CD2-NE2 2.93Å; H65-Q90 WeakPolarHBondContact NE2-CG 3.39Å; H65-Q90 PolarHBondContact NE2-NE2 3.27Å
66	C	93.5	Very high	95.2	Very high	15 Å²	15	54.3 Å²	54.3	10%	0.101	33%	0.326	C	S	.	.			trans	-73.6	145.3	169.5	75.3	0	0	0	0	110.1	L51 C53 T70 R72	L51-C66 WeakPolarHBondContact CD1-O 3.26Å; C53-C66 WeakPolarHBondContact CA-SG 3.46Å; C53-C66 HydrophobicContact CB-CB 3.87Å; C53-C66 WeakPolarHBondContact CB-SG 3.47Å; C53-C66 WeakPolarHBondContact SG-CB 3.29Å; C53-C66 PolarHBondContact SG-N 3.32Å; C53-C66 VanDerWaalsContact SG-N 3.42Å; C53-C66 CovalentContact SG-SG 2.04Å; C53-C66 PolarHBondContact SG-SG 3.48Å; C66-T70 CarbonylContact C-O 3.54Å; C66-T70 VanDerWaalsContact CA-O 3.28Å; C66-T70 WeakPolarHBondContact CA-O 3.24Å; C66-T70 WeakPolarHBondContact CB-O 3.29Å; C66-R72 HydrophobicContact CB-CB 4.08Å
67	S	91.6	Very high	95.2	Very high	30 Å²	30	55 Å²	55	21%	0.21	33%	0.33	C	S	.	.			trans	-116	178.1	170.8	79.5	0	0	0	0	109	L51 T69 T70	L51-S67 VanDerWaalsContact CD1-C 3.47Å; S67-T69 PolarHBondContact O-N 2.89Å; S67-T69 PolarHBondContact OG-N 3.02Å; S67-T69 PolarHBondContact OG-OG1 3.47Å; S67-T70 WeakPolarHBondContact CB-OG1 3.42Å; S67-T70 PolarHBondContact N-O 3.43Å; S67-T70 PolarHBondContact OG-N 3.02Å; S67-T70 PolarHBondContact OG-OG1 2.94Å
68	P	87.7	Confident	95.2	Very high	83 Å²	83	55.6 Å²	55.6	54%	0.539	33%	0.334	S	S	.	.	S	Bend	trans	-61.1	-13.7	174.5	-22	34.8	0	0	0	114.3	L51	L51-P68 HydrophobicContact CD1-CG 4.33Å; L51-P68 HydrophobicContact CD2-CG 4.38Å
69	T	88.1	Confident	95.2	Very high	132 Å²	132	60 Å²	60	81%	0.81	36%	0.362	S	S	*	.	S	Bend	trans	-126.3	-10.7	-177.4	60	0	0	0	0	114.6	S67	S67-T69 PolarHBondContact O-N 2.89Å; S67-T69 PolarHBondContact OG-N 3.02Å; S67-T69 PolarHBondContact OG-OG1 3.47Å
70	T	90.8	Very high	95.1	Very high	72 Å²	72	61.4 Å²	61.4	44%	0.442	38%	0.378	S	S	.	.	S	Bend	trans	-127.9	138	-176.4	62.3	0	0	0	0	112.5	C66 S67	C66-T70 CarbonylContact C-O 3.54Å; C66-T70 VanDerWaalsContact CA-O 3.28Å; C66-T70 WeakPolarHBondContact CA-O 3.24Å; C66-T70 WeakPolarHBondContact CB-O 3.29Å; S67-T70 WeakPolarHBondContact CB-OG1 3.42Å; S67-T70 PolarHBondContact N-O 3.43Å; S67-T70 PolarHBondContact OG-N 3.02Å; S67-T70 PolarHBondContact OG-OG1 2.94Å
71	V	93.4	Very high	95.1	Very high	121 Å²	121	61 Å²	61	73%	0.733	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-71.9	153.7	170.3	-63.7	0	0	0	0	111.1
72	R	94.8	Very high	95.1	Very high	53 Å²	53	59.6 Å²	59.6	20%	0.2	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-68.7	138.6	177	65.1	94.5	-172.4	83.8	-0	111.9	C53 D54 K55 C56 V64 C66 C74	C53-R72 HydrophobicContact CB-CG 4.37Å; D54-R72 HydrophobicContact CB-CG 4.38Å; D54-R72 WeakPolarHBondContact O-CD 3.43Å; D54-R72 VanDerWaalsContact O-CG 3.24Å; D54-R72 WeakPolarHBondContact O-CG 3.11Å; D54-R72 PolarHBondContact O-NE 3.27Å; K55-R72 PolarHBondContact O-NE 3.44Å; K55-R72 PolarHBondContact O-NH2 3.06Å; C56-R72 VanDerWaalsContact SG-CD 3.5Å; V64-R72 CarbonylContact O-C 3.59Å; V64-R72 WeakPolarHBondContact O-CA 3.41Å; C66-R72 HydrophobicContact CB-CB 4.08Å; R72-C74 VanDerWaalsContact CD-SG 3.59Å; R72-C74 PolarHBondContact NE-SG 3.47Å; R72-C74 VanDerWaalsContact NE-SG 3.43Å
73	E	96.9	Very high	95.1	Very high	110 Å²	110	59.6 Å²	59.6	51%	0.514	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	141.6	177.5	-165	-173.1	-139.5	0	0	111	V62 S63 V64	V62-E73 WeakPolarHBondContact CA-O 3.44Å; S63-E73 PolarHBondContact N-O 3.46Å; S63-E73 PolarHBondContact OG-O 3.49Å; S63-E73 PolarHBondContact OG-OE2 2.7Å; V64-E73 HydrophobicContact CB-CB 4Å; V64-E73 HydrophobicContact CG2-CB 4.34Å; V64-E73 PolarHBondContact O-N 3.45Å
74	C	97.7	Very high	95	Very high	39 Å²	39	66.9 Å²	66.9	26%	0.264	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.8	-179.8	-55.7	0	0	0	0	111	C56 Y61 R72	C56-C74 WeakPolarHBondContact CA-SG 2.96Å; C56-C74 HydrophobicContact CB-CB 3.81Å; C56-C74 WeakPolarHBondContact CB-SG 3.24Å; C56-C74 VanDerWaalsContact SG-CA 3.52Å; C56-C74 WeakPolarHBondContact SG-CB 3.03Å; C56-C74 CovalentContact SG-SG 2.03Å; C56-C74 PolarHBondContact SG-SG 3.08Å; Y61-C74 CarbonylContact O-C 3.52Å; Y61-C74 VanDerWaalsContact O-CA 3.27Å; Y61-C74 WeakPolarHBondContact O-CA 3.3Å; R72-C74 VanDerWaalsContact CD-SG 3.59Å; R72-C74 PolarHBondContact NE-SG 3.47Å; R72-C74 VanDerWaalsContact NE-SG 3.43Å
75	S	98.1	Very high	95	Very high	31 Å²	31	65 Å²	65	22%	0.217	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	146.6	175.3	-75.6	0	0	0	0	111.6	T60 Y61 S63	T60-S75 CarbonylContact C-O 3.45Å; T60-S75 WeakPolarHBondContact CA-O 3.43Å; T60-S75 WeakPolarHBondContact CB-O 3.39Å; Y61-S75 VanDerWaalsContact CD1-O 3.23Å; Y61-S75 WeakPolarHBondContact CD1-O 3.38Å; Y61-S75 PolarHBondContact N-O 3.36Å; Y61-S75 PolarHBondContact O-N 3.25Å; S63-S75 VanDerWaalsContact CB-OG 3.26Å; S63-S75 WeakPolarHBondContact CB-OG 3.48Å; S63-S75 PolarHBondContact OG-OG 3.14Å; S63-S75 VanDerWaalsContact OG-OG 3.07Å
76	P	97.9	Very high	95	Very high	99 Å²	99	66.9 Å²	66.9	64%	0.643	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	145.4	178.3	28.9	-35	0	0	0	111.6	Y61	Y61-P76 WeakPolarHBondContact CE1-O 3.48Å
77	C	97.8	Very high	95.1	Very high	14 Å²	14	67 Å²	67	10%	0.095	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-61.1	129.8	175.9	-67.9	0	0	0	0	111.3	G59 C92 A111	G59-C77 PolarHBondContact O-N 2.91Å; C77-C92 WeakPolarHBondContact CA-SG 3.48Å; C77-C92 HydrophobicContact CB-CB 3.75Å; C77-C92 WeakPolarHBondContact CB-SG 3.4Å; C77-C92 WeakPolarHBondContact SG-CB 3.44Å; C77-C92 CovalentContact SG-SG 2.03Å; C77-C92 PolarHBondContact SG-SG 3.5Å; C77-A111 HydrophobicContact CB-CB 4.03Å
78	P	97.1	Very high	95.2	Very high	75 Å²	75	66.5 Å²	66.5	49%	0.487	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-67	155.3	174.6	27.1	-34.4	0	0	0	111.9	G80 T81	P78-G80 PolarHBondContact O-N 2.88Å; P78-T81 VanDerWaalsContact CD-OG1 3.24Å; P78-T81 WeakPolarHBondContact CD-OG1 3.49Å; P78-T81 HydrophobicContact CG-CG2 4.26Å; P78-T81 WeakPolarHBondContact CG-OG1 3.33Å; P78-T81 WeakPolarHBondContact O-CB 3.33Å; P78-T81 PolarHBondContact O-N 2.93Å; P78-T81 PolarHBondContact O-OG1 2.84Å
79	S	95.8	Very high	95.6	Very high	131 Å²	131	65 Å²	65	92%	0.916	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	133	179.7	-56.4	0	0	0	0	112.7
80	G	95.4	Very high	95.9	Very high	40 Å²	40	65 Å²	65	41%	0.412	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	5.8	-173.9	0	0	0	0	0	114.8	P78 C95	P78-G80 PolarHBondContact O-N 2.88Å; G80-C95 PolarHBondContact O-N 2.9Å
81	T	97.6	Very high	96.2	Very high	18 Å²	18	67.6 Å²	67.6	11%	0.11	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157.4	177	73.9	0	0	0	0	112.7	P78 C92 H93 R94	P78-T81 VanDerWaalsContact CD-OG1 3.24Å; P78-T81 WeakPolarHBondContact CD-OG1 3.49Å; P78-T81 HydrophobicContact CG-CG2 4.26Å; P78-T81 WeakPolarHBondContact CG-OG1 3.33Å; P78-T81 WeakPolarHBondContact O-CB 3.33Å; P78-T81 PolarHBondContact O-N 2.93Å; P78-T81 PolarHBondContact O-OG1 2.84Å; T81-C92 WeakPolarHBondContact OG1-CB 3.44Å; T81-H93 CarbonylContact C-O 3.53Å; T81-H93 WeakPolarHBondContact CA-O 3.45Å; T81-H93 VanDerWaalsContact CB-O 3.29Å; T81-H93 WeakPolarHBondContact CB-O 3.44Å; T81-R94 HydrophobicContact CG2-CG 4.21Å
82	F	98	Very high	96.4	Very high	28 Å²	28	62 Å²	62	12%	0.123	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158.4	-175.5	78.5	-77.6	0	0	0	114.1	R84 H93 M110 A111 D114	F82-R84 HydrophobicContact CE2-CB 4.37Å; F82-H93 HydrophobicContact CD1-CB 4.1Å; F82-H93 VanDerWaalsContact CD1-O 3.31Å; F82-H93 WeakPolarHBondContact CD1-O 3.38Å; F82-H93 HydrophobicContact CE1-CB 3.64Å; F82-H93 HydrophobicContact CZ-CB 3.91Å; F82-H93 PolarHBondContact N-O 3.24Å; F82-H93 PolarHBondContact O-N 3.21Å; F82-M110 WeakPolarHBondContact CB-O 3.43Å; F82-A111 CarbonylContact C-O 3.55Å; F82-A111 WeakPolarHBondContact CA-O 3.29Å; F82-A111 WeakPolarHBondContact CB-O 3.15Å; F82-D114 HydrophobicContact CD1-CB 4Å; F82-D114 HydrophobicContact CD2-CB 4.45Å; F82-D114 HydrophobicContact CE1-CB 3.61Å; F82-D114 HydrophobicContact CE2-CB 4.11Å; F82-D114 HydrophobicContact CG-CB 4.42Å; F82-D114 HydrophobicContact CZ-CB 3.68Å
83	T	97.6	Very high	96.5	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.006	36%	0.362	C	S	.	.			trans	-133.7	114.7	162.3	49.6	0	0	0	0	109.4	A58 G59 T60 G85 N87 V89 C92 A111	A58-T83 WeakPolarHBondContact CA-O 3.34Å; A58-T83 WeakPolarHBondContact CB-O 3.41Å; G59-T83 PolarHBondContact N-O 3.04Å; G59-T83 VanDerWaalsContact N-O 3.07Å; G59-T83 PolarHBondContact N-OG1 3.01Å; T60-T83 PolarHBondContact N-OG1 3.31Å; T60-T83 PolarHBondContact O-OG1 3.08Å; T83-G85 VanDerWaalsContact C-N 3.33Å; T83-G85 PolarHBondContact O-N 3.28Å; T83-N87 PolarHBondContact OG1-ND2 2.77Å; T83-V89 HydrophobicContact CG2-CG2 4.08Å; T83-C92 HydrophobicContact CG2-CB 4.04Å; T83-A111 PolarHBondContact N-O 3.37Å
84	R	95.8	Very high	96.6	Very high	198 Å²	198	67.9 Å²	67.9	75%	0.747	37%	0.37	S	S	*	.			trans	-67.5	-29.2	-175	176.3	179.4	-79.1	-177.9	-4.4	114	F82 T112	F82-R84 HydrophobicContact CE2-CB 4.37Å; R84-T112 WeakPolarHBondContact CA-O 3.33Å
85	G	93.9	Very high	96.5	Very high	37 Å²	37	66.9 Å²	66.9	38%	0.381	36%	0.363	S	S	.	.	S	Bend	trans	-143.6	-177.7	-172.3	0	0	0	0	0	112.4	T83 N87	T83-G85 VanDerWaalsContact C-N 3.33Å; T83-G85 PolarHBondContact O-N 3.28Å; G85-N87 PolarHBondContact O-N 2.92Å; G85-N87 PolarHBondContact O-ND2 3.08Å; G85-N87 VanDerWaalsContact O-ND2 3.14Å
86	E	95.3	Very high	96.3	Very high	78 Å²	78	72 Å²	72	36%	0.364	38%	0.378	S	S	.	.			trans	-62.9	130.6	174.9	-61.8	-174.6	108.1	0	0	110.9	R38 K55 C56	R38-E86 VanDerWaalsContact CD-OE1 3.3Å; R38-E86 WeakPolarHBondContact CD-OE1 3.49Å; R38-E86 WeakPolarHBondContact CD-OE2 3.47Å; R38-E86 IonicContact CZ-OE1 2.68Å; R38-E86 IonicContact CZ-OE2 3.68Å; R38-E86 IonicContact NE-OE1 3.66Å; R38-E86 IonicContact NE-OE2 3.85Å; R38-E86 PolarHBondContact NE-OE2 3Å; R38-E86 IonicContact NH1-OE1 3.35Å; R38-E86 PolarHBondContact NH1-OE1 2.63Å; R38-E86 IonicContact NH1-OE2 3.9Å; R38-E86 PolarHBondContact NH1-OE2 3.1Å; R38-E86 VanDerWaalsContact NH1-OE2 3.14Å; R38-E86 IonicContact NH2-OE2 2.66Å; K55-E86 HydrophobicContact CB-CB 4.02Å; K55-E86 HydrophobicContact CD-CB 4.08Å; C56-E86 CarbonylContact O-C 3.51Å; C56-E86 WeakPolarHBondContact O-CA 3.34Å
87	N	95.4	Very high	96.1	Very high	17 Å²	17	71 Å²	71	9%	0.091	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-142.4	160.9	-165.4	67.6	83.3	0	0	0	112.8	K55 C56 P57 T60 T83 G85 V89	K55-N87 CarbonylContact C-O 3.55Å; K55-N87 WeakPolarHBondContact CA-O 3.37Å; K55-N87 WeakPolarHBondContact CB-O 3.47Å; C56-N87 PolarHBondContact N-O 3.1Å; C56-N87 PolarHBondContact O-N 2.78Å; C56-N87 PolarHBondContact O-ND2 2.93Å; P57-N87 PolarHBondContact O-ND2 3.31Å; T60-N87 PolarHBondContact O-ND2 3.41Å; T60-N87 PolarHBondContact O-OD1 2.99Å; T83-N87 PolarHBondContact OG1-ND2 2.77Å; G85-N87 PolarHBondContact O-N 2.92Å; G85-N87 PolarHBondContact O-ND2 3.08Å; G85-N87 VanDerWaalsContact O-ND2 3.14Å; N87-V89 HydrophobicContact CB-CG2 4.18Å; N87-V89 WeakPolarHBondContact OD1-CG2 3.34Å; N87-V89 PolarHBondContact OD1-N 2.88Å
88	G	94.8	Very high	95.8	Very high	20 Å²	20	75 Å²	75	21%	0.206	40%	0.404	C	S	.	.			trans	-117.4	25.1	170.4	0	0	0	0	0	112.4	H65	H65-G88 PolarHBondContact CE1-O 3.3Å
89	V	95.4	Very high	95.5	Very high	51 Å²	51	72.7 Å²	72.7	31%	0.309	39%	0.389	S	S	.	.			trans	-87.4	145.6	-171.7	-60.1	0	0	0	0	111.6	Y61 V62 T83 N87 Q91	Y61-V89 WeakPolarHBondContact CB-O 3.27Å; V62-V89 PolarHBondContact N-O 3.41Å; T83-V89 HydrophobicContact CG2-CG2 4.08Å; N87-V89 HydrophobicContact CB-CG2 4.18Å; N87-V89 WeakPolarHBondContact OD1-CG2 3.34Å; N87-V89 PolarHBondContact OD1-N 2.88Å; V89-Q91 VanDerWaalsContact C-N 3.32Å; V89-Q91 VanDerWaalsContact CG2-O 3.3Å; V89-Q91 WeakPolarHBondContact CG2-O 3.17Å
90	Q	95.3	Very high	95.1	Very high	132 Å²	132	70.1 Å²	70.1	62%	0.617	37%	0.37	S	S	*	.	S	Bend	trans	-81.7	-6.3	176	-69.7	176.4	-32.4	0	0	114	Y61 H65	Y61-Q90 WeakPolarHBondContact CD2-O 3.39Å; H65-Q90 PolarHBondContact CD2-NE2 2.93Å; H65-Q90 WeakPolarHBondContact NE2-CG 3.39Å; H65-Q90 PolarHBondContact NE2-NE2 3.27Å
91	Q	96.3	Very high	94.7	Very high	126 Å²	126	73.2 Å²	73.2	59%	0.589	39%	0.391	S	S	*	.	S	Bend	trans	-152.7	134.1	180	-178.4	165.7	108.9	0	0	109.7	V89	V89-Q91 VanDerWaalsContact C-N 3.32Å; V89-Q91 VanDerWaalsContact CG2-O 3.3Å; V89-Q91 WeakPolarHBondContact CG2-O 3.17Å
92	C	97.8	Very high	94.1	Very high	5 Å²	5	74.9 Å²	74.9	3%	0.034	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-67.5	151.1	174	-60.5	0	0	0	0	111.9	C77 T81 T83	C77-C92 WeakPolarHBondContact CA-SG 3.48Å; C77-C92 HydrophobicContact CB-CB 3.75Å; C77-C92 WeakPolarHBondContact CB-SG 3.4Å; C77-C92 WeakPolarHBondContact SG-CB 3.44Å; C77-C92 CovalentContact SG-SG 2.03Å; C77-C92 PolarHBondContact SG-SG 3.5Å; T81-C92 WeakPolarHBondContact OG1-CB 3.44Å; T83-C92 HydrophobicContact CG2-CB 4.04Å
93	H	97.4	Very high	93.6	Very high	103 Å²	103	75.5 Å²	75.5	48%	0.477	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.9	177.7	-53.4	-70.6	0	0	0	109.9	T81 F82 C95	T81-H93 CarbonylContact C-O 3.53Å; T81-H93 WeakPolarHBondContact CA-O 3.45Å; T81-H93 VanDerWaalsContact CB-O 3.29Å; T81-H93 WeakPolarHBondContact CB-O 3.44Å; F82-H93 HydrophobicContact CD1-CB 4.1Å; F82-H93 VanDerWaalsContact CD1-O 3.31Å; F82-H93 WeakPolarHBondContact CD1-O 3.38Å; F82-H93 HydrophobicContact CE1-CB 3.64Å; F82-H93 HydrophobicContact CZ-CB 3.91Å; F82-H93 PolarHBondContact N-O 3.24Å; F82-H93 PolarHBondContact O-N 3.21Å; H93-C95 PolarHBondContact O-N 2.89Å
94	R	97.6	Very high	93.3	Very high	183 Å²	183	79.1 Å²	79.1	69%	0.691	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	135.6	171.5	-75.3	177.6	170.5	75.8	1	109.7	T81	T81-R94 HydrophobicContact CG2-CG 4.21Å
95	C	96.8	Very high	93.1	Very high	17 Å²	17	73.4 Å²	73.4	12%	0.115	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-61.1	155.4	167.4	-70.1	0	0	0	0	110.2	G80 H93 C109 D114	G80-C95 PolarHBondContact O-N 2.9Å; H93-C95 PolarHBondContact O-N 2.89Å; C95-C109 HydrophobicContact CB-CB 3.76Å; C95-C109 WeakPolarHBondContact CB-SG 3.35Å; C95-C109 WeakPolarHBondContact SG-CB 3.42Å; C95-C109 CovalentContact SG-SG 2.04Å; C95-C109 PolarHBondContact SG-SG 3.32Å; C95-D114 WeakPolarHBondContact CA-OD1 3.31Å; C95-D114 WeakPolarHBondContact CB-OD1 3.27Å
96	R	93.9	Very high	93	Very high	138 Å²	138	77.8 Å²	77.8	52%	0.521	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-56	163.4	172	-82.1	179.7	-75.3	-174.9	-4.9	111.7	D114 R115	R96-D114 WeakPolarHBondContact CG-OD2 3.43Å; R96-D114 IonicContact CZ-OD2 2.74Å; R96-D114 PolarHBondContact N-OD1 2.72Å; R96-D114 IonicContact NE-OD2 2.65Å; R96-D114 PolarHBondContact NE-OD2 2.67Å; R96-D114 IonicContact NH2-OD2 3.71Å; R96-D114 PolarHBondContact NH2-OD2 3.39Å; R96-R115 HydrophobicContact CB-CG 4.34Å; R96-R115 PolarHBondContact NH2-O 3.08Å; R96-R115 VanDerWaalsContact O-CZ 3.24Å; R96-R115 PolarHBondContact O-NE 3.21Å; R96-R115 PolarHBondContact O-NH2 2.85Å
97	A	92.4	Very high	92.8	Very high	80 Å²	80	74.8 Å²	74.8	66%	0.661	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-56.4	154.3	169.3	0	0	0	0	0	111.3	R115	A97-R115 VanDerWaalsContact O-CD 3.25Å; A97-R115 WeakPolarHBondContact O-CD 3.4Å; A97-R115 PolarHBondContact O-NE 3.49Å
98	P	91.8	Very high	92.8	Very high	96 Å²	96	77.1 Å²	77.1	62%	0.623	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-51.4	151.9	173.2	-26	35.4	0	0	0	112.5
99	C	90.5	Very high	92.8	Very high	27 Å²	27	77.8 Å²	77.8	18%	0.182	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-61.4	138	-177.7	-61	0	0	0	0	111.6	F103 E105 C117	C99-F103 HydrophobicContact CB-CB 4.09Å; C99-E105 WeakPolarHBondContact SG-CG 3.43Å; C99-C117 WeakPolarHBondContact CA-SG 3.48Å; C99-C117 HydrophobicContact CB-CB 3.84Å; C99-C117 WeakPolarHBondContact CB-SG 3.42Å; C99-C117 WeakPolarHBondContact SG-CA 3.37Å; C99-C117 WeakPolarHBondContact SG-CB 3.26Å; C99-C117 CovalentContact SG-SG 2.03Å; C99-C117 PolarHBondContact SG-SG 3.02Å
100	P	88.8	Confident	92.9	Very high	78 Å²	78	79.9 Å²	79.9	51%	0.506	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-64.6	158.1	178.6	24.8	-30.8	0	0	0	111.2	G102 F103	P100-G102 PolarHBondContact O-N 3.5Å; P100-F103 HydrophobicContact CB-CD2 4.39Å; P100-F103 HydrophobicContact CG-CD2 3.68Å; P100-F103 HydrophobicContact CG-CE2 4.08Å; P100-F103 HydrophobicContact CG-CG 4.2Å; P100-F103 WeakPolarHBondContact O-CB 3.13Å; P100-F103 PolarHBondContact O-N 3.22Å
101	A	85.7	Confident	92.9	Very high	104 Å²	104	75.4 Å²	75.4	86%	0.86	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	134.5	179.9	0	0	0	0	0	111.3
102	G	84.7	Confident	92.9	Very high	54 Å²	54	72.7 Å²	72.7	56%	0.557	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-7.5	-173.5	0	0	0	0	0	115.3	P100 P120	P100-G102 PolarHBondContact O-N 3.5Å; G102-P120 WeakPolarHBondContact O-CD 3.44Å
103	F	89.3	Confident	92.8	Very high	40 Å²	40	75.6 Å²	75.6	18%	0.175	43%	0.428	C	S	.	.			trans	-111.5	156.7	175.5	-65	-104.9	0	0	0	111.7	C99 P100 C117 T118 L125 L131 C133	C99-F103 HydrophobicContact CB-CB 4.09Å; P100-F103 HydrophobicContact CB-CD2 4.39Å; P100-F103 HydrophobicContact CG-CD2 3.68Å; P100-F103 HydrophobicContact CG-CE2 4.08Å; P100-F103 HydrophobicContact CG-CG 4.2Å; P100-F103 WeakPolarHBondContact O-CB 3.13Å; P100-F103 PolarHBondContact O-N 3.22Å; F103-C117 HydrophobicContact CB-CB 4.48Å; F103-T118 WeakPolarHBondContact CA-O 3.49Å; F103-T118 WeakPolarHBondContact CB-O 3.39Å; F103-L125 HydrophobicContact CE1-CD1 4.12Å; F103-L125 HydrophobicContact CE1-CD2 4.46Å; F103-L125 HydrophobicContact CZ-CD1 3.8Å; F103-L131 VanDerWaalsContact CE2-O 3.3Å; F103-L131 WeakPolarHBondContact CE2-O 3.28Å; F103-C133 WeakPolarHBondContact CE1-SG 3.34Å
104	I	90.6	Very high	92.8	Very high	77 Å²	77	71.8 Å²	71.8	40%	0.395	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	157.1	177.3	60.9	166.6	0	0	0	111.4	K106 C117 T118 P120	I104-K106 PolarHBondContact O-N 3.26Å; I104-C117 CarbonylContact O-C 3.44Å; I104-C117 WeakPolarHBondContact O-CA 3.4Å; I104-T118 HydrophobicContact CD1-CG2 4.37Å; I104-T118 HydrophobicContact CG1-CG2 3.94Å; I104-T118 PolarHBondContact N-O 3.43Å; I104-T118 PolarHBondContact O-N 2.99Å; I104-P120 HydrophobicContact CD1-CB 4.44Å; I104-P120 HydrophobicContact CG2-CB 4.31Å
105	E	91.7	Very high	92.7	Very high	79 Å²	79	64.8 Å²	64.8	37%	0.369	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	106.6	173.2	-73.8	-175.1	-167.1	0	0	110.6	C99 A107 P108 R115 V116	C99-E105 WeakPolarHBondContact SG-CG 3.43Å; E105-A107 VanDerWaalsContact C-N 3.29Å; E105-P108 WeakPolarHBondContact OE2-CA 3.24Å; E105-R115 WeakPolarHBondContact OE1-CD 3.5Å; E105-R115 IonicContact OE1-CZ 3.14Å; E105-R115 IonicContact OE1-NE 3.25Å; E105-R115 IonicContact OE1-NH1 3.2Å; E105-R115 PolarHBondContact OE1-NH1 3.31Å; E105-R115 IonicContact OE2-NH1 3.19Å; E105-V116 CarbonylContact C-O 3.42Å
106	K	90.6	Very high	92.5	Very high	128 Å²	128	66.6 Å²	66.6	56%	0.557	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	-32.6	169.6	-168.9	169.8	-175.8	162.3	0	112	I104 V116 T118 E151	I104-K106 PolarHBondContact O-N 3.26Å; K106-V116 HydrophobicContact CB-CB 4.46Å; K106-V116 HydrophobicContact CB-CG1 4.35Å; K106-V116 WeakPolarHBondContact CB-O 3.38Å; K106-V116 PolarHBondContact N-O 2.83Å; K106-T118 HydrophobicContact CB-CG2 3.67Å; K106-T118 HydrophobicContact CD-CG2 4.07Å; K106-T118 HydrophobicContact CG-CG2 4.15Å; K106-E151 IonicContact NZ-OE1 2.74Å; K106-E151 PolarHBondContact NZ-OE1 2.82Å; K106-E151 IonicContact NZ-OE2 3.68Å; K106-E151 PolarHBondContact NZ-OE2 2.75Å
107	A	92.4	Very high	92.3	Very high	16 Å²	16	62.1 Å²	62.1	13%	0.132	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	130.8	170.9	0	0	0	0	0	107.9	E105 R115 V116	E105-A107 VanDerWaalsContact C-N 3.29Å; A107-R115 CarbonylContact O-C 3.53Å; A107-R115 VanDerWaalsContact O-CA 3.24Å; A107-R115 WeakPolarHBondContact O-CA 3.36Å; A107-V116 HydrophobicContact CB-CB 4.08Å; A107-V116 HydrophobicContact CB-CG2 4.13Å; A107-V116 PolarHBondContact N-O 2.78Å; A107-V116 PolarHBondContact O-N 3.44Å
108	P	94.9	Very high	92.1	Very high	66 Å²	66	59.2 Å²	59.2	43%	0.429	36%	0.359	S	S	.	.			trans	-76.9	159.3	177.5	31.6	-34.8	0	0	0	111.7	E105 M110 Q113	E105-P108 WeakPolarHBondContact OE2-CA 3.24Å; P108-M110 HydrophobicContact CG-CG 4.14Å; P108-M110 HydrophobicContact CG-SD 4.15Å; P108-M110 PolarHBondContact O-N 2.82Å; P108-Q113 PolarHBondContact O-NE2 2.99Å
109	C	95.9	Very high	92	Very high	33 Å²	33	55.1 Å²	55.1	22%	0.223	33%	0.332	C	S	.	.			trans	-62.7	120.4	167.8	173.7	0	0	0	0	110.1	C95 R115	C95-C109 HydrophobicContact CB-CB 3.76Å; C95-C109 WeakPolarHBondContact CB-SG 3.35Å; C95-C109 WeakPolarHBondContact SG-CB 3.42Å; C95-C109 CovalentContact SG-SG 2.04Å; C95-C109 PolarHBondContact SG-SG 3.32Å; C109-R115 HydrophobicContact CB-CB 4.19Å
110	M	95.9	Very high	91.9	Very high	96 Å²	96	55.7 Å²	55.7	47%	0.473	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-137.3	163	178.1	-59.1	174.6	69	0	0	109.5	F82 P108 T112 Q113	F82-M110 WeakPolarHBondContact CB-O 3.43Å; P108-M110 HydrophobicContact CG-CG 4.14Å; P108-M110 HydrophobicContact CG-SD 4.15Å; P108-M110 PolarHBondContact O-N 2.82Å; M110-T112 PolarHBondContact O-N 3.06Å; M110-Q113 HydrophobicContact CB-CG 3.94Å; M110-Q113 HydrophobicContact CG-CG 4.29Å; M110-Q113 PolarHBondContact N-O 3Å; M110-Q113 CarbonylContact O-C 3.54Å; M110-Q113 PolarHBondContact O-N 2.89Å; M110-Q113 HydrophobicContact SD-CG 4.31Å; M110-Q113 PolarHBondContact SD-NE2 3.21Å
111	A	96.5	Very high	91.7	Very high	38 Å²	38	56.9 Å²	56.9	31%	0.314	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-30.9	-180	0	0	0	0	0	113.8	G59 C77 F82 T83	G59-A111 VanDerWaalsContact CA-O 3.29Å; G59-A111 WeakPolarHBondContact CA-O 3.49Å; C77-A111 HydrophobicContact CB-CB 4.03Å; F82-A111 CarbonylContact C-O 3.55Å; F82-A111 WeakPolarHBondContact CA-O 3.29Å; F82-A111 WeakPolarHBondContact CB-O 3.15Å; T83-A111 PolarHBondContact N-O 3.37Å
112	T	96.5	Very high	91.5	Very high	69 Å²	69	57.3 Å²	57.3	42%	0.423	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-9.1	178.6	50.1	0	0	0	0	114.9	A58 R84 M110	A58-T112 HydrophobicContact CB-CG2 4.16Å; R84-T112 WeakPolarHBondContact CA-O 3.33Å; M110-T112 PolarHBondContact O-N 3.06Å
113	Q	95.9	Very high	91.7	Very high	65 Å²	65	55.9 Å²	55.9	30%	0.304	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-150.2	140.3	-176.6	60.1	174.2	9.4	0	0	114.2	P108 M110	P108-Q113 PolarHBondContact O-NE2 2.99Å; M110-Q113 HydrophobicContact CB-CG 3.94Å; M110-Q113 HydrophobicContact CG-CG 4.29Å; M110-Q113 PolarHBondContact N-O 3Å; M110-Q113 CarbonylContact O-C 3.54Å; M110-Q113 PolarHBondContact O-N 2.89Å; M110-Q113 HydrophobicContact SD-CG 4.31Å; M110-Q113 PolarHBondContact SD-NE2 3.21Å
114	D	96.9	Very high	91.5	Very high	23 Å²	23	54.7 Å²	54.7	12%	0.123	31%	0.306	C	S	.	.			trans	-64.9	153.7	164.3	-172.2	21.4	0	0	0	111.1	F82 C95 R96	F82-D114 HydrophobicContact CD1-CB 4Å; F82-D114 HydrophobicContact CD2-CB 4.45Å; F82-D114 HydrophobicContact CE1-CB 3.61Å; F82-D114 HydrophobicContact CE2-CB 4.11Å; F82-D114 HydrophobicContact CG-CB 4.42Å; F82-D114 HydrophobicContact CZ-CB 3.68Å; C95-D114 WeakPolarHBondContact CA-OD1 3.31Å; C95-D114 WeakPolarHBondContact CB-OD1 3.27Å; R96-D114 WeakPolarHBondContact CG-OD2 3.43Å; R96-D114 IonicContact CZ-OD2 2.74Å; R96-D114 PolarHBondContact N-OD1 2.72Å; R96-D114 IonicContact NE-OD2 2.65Å; R96-D114 PolarHBondContact NE-OD2 2.67Å; R96-D114 IonicContact NH2-OD2 3.71Å; R96-D114 PolarHBondContact NH2-OD2 3.39Å
115	R	94.7	Very high	91.2	Very high	37 Å²	37	53.7 Å²	53.7	14%	0.14	30%	0.302	C	S	.	.			trans	-61.9	150.3	171.2	86.3	178.6	84	-129.1	4.3	110.4	R96 A97 E105 A107 C109	R96-R115 HydrophobicContact CB-CG 4.34Å; R96-R115 PolarHBondContact NH2-O 3.08Å; R96-R115 VanDerWaalsContact O-CZ 3.24Å; R96-R115 PolarHBondContact O-NE 3.21Å; R96-R115 PolarHBondContact O-NH2 2.85Å; A97-R115 VanDerWaalsContact O-CD 3.25Å; A97-R115 WeakPolarHBondContact O-CD 3.4Å; A97-R115 PolarHBondContact O-NE 3.49Å; E105-R115 WeakPolarHBondContact OE1-CD 3.5Å; E105-R115 IonicContact OE1-CZ 3.14Å; E105-R115 IonicContact OE1-NE 3.25Å; E105-R115 IonicContact OE1-NH1 3.2Å; E105-R115 PolarHBondContact OE1-NH1 3.31Å; E105-R115 IonicContact OE2-NH1 3.19Å; A107-R115 CarbonylContact O-C 3.53Å; A107-R115 VanDerWaalsContact O-CA 3.24Å; A107-R115 WeakPolarHBondContact O-CA 3.36Å; C109-R115 HydrophobicContact CB-CB 4.19Å
116	V	92.8	Very high	90.4	Very high	54 Å²	54	53.9 Å²	53.9	33%	0.327	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	116.7	173.1	-178.5	0	0	0	0	108.8	E105 K106 A107	E105-V116 CarbonylContact C-O 3.42Å; K106-V116 HydrophobicContact CB-CB 4.46Å; K106-V116 HydrophobicContact CB-CG1 4.35Å; K106-V116 WeakPolarHBondContact CB-O 3.38Å; K106-V116 PolarHBondContact N-O 2.83Å; A107-V116 HydrophobicContact CB-CB 4.08Å; A107-V116 HydrophobicContact CB-CG2 4.13Å; A107-V116 PolarHBondContact N-O 2.78Å; A107-V116 PolarHBondContact O-N 3.44Å
117	C	90.6	Very high	89.1	Confident	44 Å²	44	57.1 Å²	57.1	30%	0.297	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	141.5	175.1	-54.4	0	0	0	0	110.9	C99 F103 I104	C99-C117 WeakPolarHBondContact CA-SG 3.48Å; C99-C117 HydrophobicContact CB-CB 3.84Å; C99-C117 WeakPolarHBondContact CB-SG 3.42Å; C99-C117 WeakPolarHBondContact SG-CA 3.37Å; C99-C117 WeakPolarHBondContact SG-CB 3.26Å; C99-C117 CovalentContact SG-SG 2.03Å; C99-C117 PolarHBondContact SG-SG 3.02Å; F103-C117 HydrophobicContact CB-CB 4.48Å; I104-C117 CarbonylContact O-C 3.44Å; I104-C117 WeakPolarHBondContact O-CA 3.4Å
118	T	88.4	Confident	87.3	Confident	20 Å²	20	61.7 Å²	61.7	12%	0.123	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	170.2	169.9	-162.4	0	0	0	0	111.1	F103 I104 K106 E151	F103-T118 WeakPolarHBondContact CA-O 3.49Å; F103-T118 WeakPolarHBondContact CB-O 3.39Å; I104-T118 HydrophobicContact CD1-CG2 4.37Å; I104-T118 HydrophobicContact CG1-CG2 3.94Å; I104-T118 PolarHBondContact N-O 3.43Å; I104-T118 PolarHBondContact O-N 2.99Å; K106-T118 HydrophobicContact CB-CG2 3.67Å; K106-T118 HydrophobicContact CD-CG2 4.07Å; K106-T118 HydrophobicContact CG-CG2 4.15Å; T118-E151 WeakPolarHBondContact CB-OE1 3.44Å; T118-E151 PolarHBondContact OG1-OE1 2.93Å
119	C	88.3	Confident	85.3	Confident	10 Å²	10	61.7 Å²	61.7	7%	0.068	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-74.7	143.4	172.3	-75.2	0	0	0	0	111.1	T123 C133	C119-T123 WeakPolarHBondContact CB-OG1 3.45Å; C119-C133 WeakPolarHBondContact CA-SG 3.36Å; C119-C133 HydrophobicContact CB-CB 3.67Å; C119-C133 WeakPolarHBondContact CB-SG 3.24Å; C119-C133 WeakPolarHBondContact SG-CB 3.48Å; C119-C133 CovalentContact SG-SG 2.04Å; C119-C133 PolarHBondContact SG-SG 3.13Å
120	P	87.8	Confident	83.5	Confident	38 Å²	38	61.6 Å²	61.6	25%	0.247	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-61.8	161.2	179.6	23.8	-32.8	0	0	0	112.7	G102 I104 T123	G102-P120 WeakPolarHBondContact O-CD 3.44Å; I104-P120 HydrophobicContact CD1-CB 4.44Å; I104-P120 HydrophobicContact CG2-CB 4.31Å; P120-T123 VanDerWaalsContact CD-OG1 3.3Å; P120-T123 WeakPolarHBondContact CD-OG1 3.4Å; P120-T123 HydrophobicContact CG-CG2 4.07Å; P120-T123 WeakPolarHBondContact CG-OG1 3.28Å; P120-T123 WeakPolarHBondContact O-CB 3.16Å; P120-T123 PolarHBondContact O-N 2.79Å; P120-T123 VanDerWaalsContact O-N 3.14Å; P120-T123 PolarHBondContact O-OG1 3.44Å
121	P	84.9	Confident	82.2	Confident	104 Å²	104	64.7 Å²	64.7	68%	0.675	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	145.1	179.1	-27.4	35.6	0	0	0	113.1	T123	P121-T123 PolarHBondContact O-N 2.99Å
122	N	82.8	Confident	81.5	Confident	112 Å²	112	69.5 Å²	69.5	60%	0.599	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	25.1	-173.6	-49.1	-46.7	0	0	0	114.6	P135 H136	N122-P135 CarbonylContact O-C 3.47Å; N122-P135 WeakPolarHBondContact O-CA 3.42Å; N122-H136 VanDerWaalsContact C-ND1 3.35Å; N122-H136 WeakPolarHBondContact CA-ND1 3.46Å; N122-H136 PolarHBondContact O-N 3.24Å
123	T	87.3	Confident	81.1	Confident	25 Å²	25	67.2 Å²	67.2	15%	0.153	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	157.3	174	76.4	0	0	0	0	112.4	C119 P120 P121 K134	C119-T123 WeakPolarHBondContact CB-OG1 3.45Å; P120-T123 VanDerWaalsContact CD-OG1 3.3Å; P120-T123 WeakPolarHBondContact CD-OG1 3.4Å; P120-T123 HydrophobicContact CG-CG2 4.07Å; P120-T123 WeakPolarHBondContact CG-OG1 3.28Å; P120-T123 WeakPolarHBondContact O-CB 3.16Å; P120-T123 PolarHBondContact O-N 2.79Å; P120-T123 VanDerWaalsContact O-N 3.14Å; P120-T123 PolarHBondContact O-OG1 3.44Å; P121-T123 PolarHBondContact O-N 2.99Å; T123-K134 CarbonylContact C-O 3.52Å; T123-K134 WeakPolarHBondContact CA-O 3.31Å; T123-K134 WeakPolarHBondContact CB-O 3.49Å
124	F	86.5	Confident	80.6	Confident	14 Å²	14	69 Å²	69	6%	0.061	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154	-178.3	73.2	-73.2	0	0	0	113.2	L126 K134 H136 N150 D154	F124-L126 HydrophobicContact CE2-CB 4.28Å; F124-L126 HydrophobicContact CE2-CD1 4.06Å; F124-K134 HydrophobicContact CD1-CB 4.34Å; F124-K134 VanDerWaalsContact CD1-O 3.29Å; F124-K134 WeakPolarHBondContact CD1-O 3.41Å; F124-K134 HydrophobicContact CE1-CB 4.01Å; F124-K134 HydrophobicContact CZ-CB 4.47Å; F124-K134 PolarHBondContact N-O 3.06Å; F124-K134 PolarHBondContact O-N 3.23Å; F124-H136 AromaticContact CD1-CD2 3.52Å; F124-N150 WeakPolarHBondContact CB-O 3.33Å; F124-D154 HydrophobicContact CD1-CB 4.41Å; F124-D154 HydrophobicContact CE1-CB 3.81Å; F124-D154 HydrophobicContact CE2-CB 4.08Å; F124-D154 HydrophobicContact CZ-CB 3.62Å
125	L	83.9	Confident	80.1	Confident	57 Å²	57	72.6 Å²	72.6	30%	0.298	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.2	174.4	-165.1	69	0	0	0	110.6	F103 K127 G130 E151	F103-L125 HydrophobicContact CE1-CD1 4.12Å; F103-L125 HydrophobicContact CE1-CD2 4.46Å; F103-L125 HydrophobicContact CZ-CD1 3.8Å; L125-K127 PolarHBondContact O-N 3.16Å; L125-K127 VanDerWaalsContact O-N 3.13Å; L125-G130 WeakPolarHBondContact CD1-O 3.44Å; L125-E151 PolarHBondContact N-O 3.45Å
126	L	74.1	Confident	79.9	Confident	82 Å²	82	72.2 Å²	72.2	43%	0.429	42%	0.418	S	S	.	.			trans	-67.4	114.5	179.3	-174.6	68.3	0	0	0	110.8	F124 S128 G130	F124-L126 HydrophobicContact CE2-CB 4.28Å; F124-L126 HydrophobicContact CE2-CD1 4.06Å; L126-S128 PolarHBondContact O-N 2.99Å; L126-G130 PolarHBondContact O-N 2.87Å
127	K	64.6	Low	79.6	Confident	196 Å²	196	72.5 Å²	72.5	85%	0.852	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-16.7	-174.1	-161.8	177.7	-178.2	-176.7	0	115.8	L125 G129	L125-K127 PolarHBondContact O-N 3.16Å; L125-K127 VanDerWaalsContact O-N 3.13Å; K127-G129 PolarHBondContact O-N 3.29Å
128	S	54.3	Low	79.6	Confident	112 Å²	112	74.5 Å²	74.5	78%	0.783	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	49.2	-178.3	-170.1	0	0	0	0	113.5	L126	L126-S128 PolarHBondContact O-N 2.99Å
129	G	52.3	Low	79.7	Confident	67 Å²	67	73.7 Å²	73.7	69%	0.691	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.1	13.5	169	0	0	0	0	0	117	K127	K127-G129 PolarHBondContact O-N 3.29Å
130	G	57.6	Low	79.8	Confident	31 Å²	31	76.1 Å²	76.1	32%	0.32	44%	0.44	S	S	.	.			trans	-72.4	128.2	171.9	0	0	0	0	0	112.4	L125 L126 E132	L125-G130 WeakPolarHBondContact CD1-O 3.44Å; L126-G130 PolarHBondContact O-N 2.87Å; G130-E132 VanDerWaalsContact C-N 3.31Å
131	L	70.1	Confident	80.1	Confident	161 Å²	161	76.1 Å²	76.1	84%	0.843	44%	0.44	S	S	*	.	S	Bend	trans	-93.9	10.5	159.8	-77	88.7	0	0	0	111.7	F103	F103-L131 VanDerWaalsContact CE2-O 3.3Å; F103-L131 WeakPolarHBondContact CE2-O 3.28Å
132	E	81.8	Confident	80.3	Confident	139 Å²	139	71.5 Å²	71.5	65%	0.65	41%	0.412	S	S	*	.	S	Bend	trans	-133.6	133.3	-167.9	-177.9	178.5	-136	0	0	110.1	G130	G130-E132 VanDerWaalsContact C-N 3.31Å
133	C	86.4	Confident	80.7	Confident	20 Å²	20	67.2 Å²	67.2	14%	0.135	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	119.8	176.9	-60.1	0	0	0	0	110.1	F103 C119	F103-C133 WeakPolarHBondContact CE1-SG 3.34Å; C119-C133 WeakPolarHBondContact CA-SG 3.36Å; C119-C133 HydrophobicContact CB-CB 3.67Å; C119-C133 WeakPolarHBondContact CB-SG 3.24Å; C119-C133 WeakPolarHBondContact SG-CB 3.48Å; C119-C133 CovalentContact SG-SG 2.04Å; C119-C133 PolarHBondContact SG-SG 3.13Å
134	K	85.9	Confident	80.7	Confident	103 Å²	103	67 Å²	67	45%	0.448	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	141.7	178.2	-66.8	-167.3	173.7	-168.8	0	110.8	T123 F124	T123-K134 CarbonylContact C-O 3.52Å; T123-K134 WeakPolarHBondContact CA-O 3.31Å; T123-K134 WeakPolarHBondContact CB-O 3.49Å; F124-K134 HydrophobicContact CD1-CB 4.34Å; F124-K134 VanDerWaalsContact CD1-O 3.29Å; F124-K134 WeakPolarHBondContact CD1-O 3.41Å; F124-K134 HydrophobicContact CE1-CB 4.01Å; F124-K134 HydrophobicContact CZ-CB 4.47Å; F124-K134 PolarHBondContact N-O 3.06Å; F124-K134 PolarHBondContact O-N 3.23Å
135	P	87.8	Confident	80.8	Confident	98 Å²	98	67.4 Å²	67.4	64%	0.636	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	145.9	172.9	27.7	-34.8	0	0	0	110.9	N122	N122-P135 CarbonylContact O-C 3.47Å; N122-P135 WeakPolarHBondContact O-CA 3.42Å
136	H	88.6	Confident	80.8	Confident	29 Å²	29	69 Å²	69	13%	0.134	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-64.6	139.2	170	-72.7	144.9	0	0	0	110.6	N122 F124 G149 N150 E153 D154 V155	N122-H136 VanDerWaalsContact C-ND1 3.35Å; N122-H136 WeakPolarHBondContact CA-ND1 3.46Å; N122-H136 PolarHBondContact O-N 3.24Å; F124-H136 AromaticContact CD1-CD2 3.52Å; H136-G149 VanDerWaalsContact CE1-C 3.43Å; H136-G149 WeakPolarHBondContact NE2-CA 3.28Å; H136-N150 PolarHBondContact NE2-N 3.31Å; H136-N150 PolarHBondContact NE2-O 2.82Å; H136-N150 VanDerWaalsContact NE2-O 3.09Å; H136-E153 PolarHBondContact NE2-O 3.42Å; H136-D154 WeakPolarHBondContact CA-OD1 3.5Å; H136-D154 IonicContact CD2-OD1 3.94Å; H136-V155 HydrophobicContact CB-CG2 3.82Å
137	S	88.3	Confident	81.3	Confident	60 Å²	60	71.9 Å²	71.9	42%	0.42	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-64.2	137.9	174.1	-65.6	0	0	0	0	111	D154 V155	S137-D154 VanDerWaalsContact CB-OD2 3.31Å; S137-D154 WeakPolarHBondContact CB-OD2 3.42Å; S137-D154 PolarHBondContact N-OD1 3.26Å; S137-D154 PolarHBondContact OG-OD2 3.15Å; S137-V155 WeakPolarHBondContact O-CB 3.35Å
138	L	89.6	Confident	82.2	Confident	86 Å²	86	68.8 Å²	68.8	45%	0.45	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-80.4	140.9	168	-54.5	-174.2	0	0	0	109.3	E169	L138-E169 HydrophobicContact CB-CB 4.07Å; L138-E169 HydrophobicContact CD1-CB 4.04Å
139	C	90.8	Very high	83.7	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.02	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-74	124	173.7	-68.5	0	0	0	0	110.2	T143 V155 C157 E169 S170	C139-T143 WeakPolarHBondContact CB-OG1 3.26Å; C139-V155 VanDerWaalsContact SG-CG1 3.56Å; C139-C157 WeakPolarHBondContact CA-SG 3.47Å; C139-C157 HydrophobicContact CB-CB 3.83Å; C139-C157 WeakPolarHBondContact CB-SG 3.31Å; C139-C157 WeakPolarHBondContact SG-CB 3.42Å; C139-C157 CovalentContact SG-SG 2.04Å; C139-C157 PolarHBondContact SG-SG 3.47Å; C139-E169 WeakPolarHBondContact O-CA 3.37Å; C139-S170 VanDerWaalsContact CB-O 3.3Å; C139-S170 WeakPolarHBondContact CB-O 3.08Å; C139-S170 PolarHBondContact N-O 2.93Å; C139-S170 PolarHBondContact O-N 2.74Å; C139-S170 VanDerWaalsContact O-N 3.16Å
140	P	91.3	Very high	85.1	Confident	61 Å²	61	64.1 Å²	64.1	40%	0.396	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-69.2	162.8	-175.6	27.7	-36	0	0	0	113	G142 T143	P140-G142 PolarHBondContact O-N 2.99Å; P140-T143 VanDerWaalsContact CD-OG1 3.29Å; P140-T143 WeakPolarHBondContact CD-OG1 3.38Å; P140-T143 HydrophobicContact CG-CG2 4.12Å; P140-T143 WeakPolarHBondContact O-CB 3.5Å; P140-T143 PolarHBondContact O-N 3.47Å; P140-T143 PolarHBondContact O-OG1 3.04Å
141	P	92.3	Very high	86.2	Confident	39 Å²	39	66 Å²	66	25%	0.253	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	136.5	178.6	-23.3	35.7	0	0	0	111.2	S166 E169 Q195	P141-S166 CarbonylContact C-O 3.51Å; P141-S166 WeakPolarHBondContact CA-O 3.5Å; P141-E169 HydrophobicContact CG-CG 4.29Å; P141-Q195 HydrophobicContact CB-CG 4.17Å; P141-Q195 PolarHBondContact O-NE2 2.79Å
142	G	90.1	Very high	86.6	Confident	7 Å²	7	65 Å²	65	7%	0.072	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	1.2	-170.2	0	0	0	0	0	115.4	P140 P159 C160 S166 R194	P140-G142 PolarHBondContact O-N 2.99Å; G142-P159 CarbonylContact O-C 3.53Å; G142-P159 WeakPolarHBondContact O-CA 3.34Å; G142-C160 PolarHBondContact O-N 2.77Å; G142-S166 PolarHBondContact N-O 2.94Å; G142-R194 VanDerWaalsContact CA-O 3.25Å; G142-R194 WeakPolarHBondContact CA-O 3.33Å
143	T	90.8	Very high	86.7	Confident	22 Å²	22	62.8 Å²	62.8	14%	0.135	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	158.5	175.5	72.4	0	0	0	0	112.1	C139 P140 K158 S166	C139-T143 WeakPolarHBondContact CB-OG1 3.26Å; P140-T143 VanDerWaalsContact CD-OG1 3.29Å; P140-T143 WeakPolarHBondContact CD-OG1 3.38Å; P140-T143 HydrophobicContact CG-CG2 4.12Å; P140-T143 WeakPolarHBondContact O-CB 3.5Å; P140-T143 PolarHBondContact O-N 3.47Å; P140-T143 PolarHBondContact O-OG1 3.04Å; T143-K158 CarbonylContact C-O 3.51Å; T143-K158 WeakPolarHBondContact CA-O 3.26Å; T143-K158 VanDerWaalsContact CB-O 3.26Å; T143-K158 WeakPolarHBondContact CB-O 3.44Å; T143-S166 WeakPolarHBondContact O-CB 3.29Å
144	R	87.1	Confident	86.8	Confident	20 Å²	20	64.1 Å²	64.1	8%	0.075	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	160.8	167.2	55.9	172	-174.5	-115.5	15.2	110.6	K146 C157 K158 C175 D633 D634	R144-K146 PolarHBondContact O-N 3.48Å; R144-C157 CarbonylContact O-C 3.51Å; R144-C157 VanDerWaalsContact O-CA 3.24Å; R144-C157 WeakPolarHBondContact O-CA 3.34Å; R144-K158 HydrophobicContact CG-CB 4.49Å; R144-K158 PolarHBondContact N-O 2.99Å; R144-K158 PolarHBondContact O-N 2.89Å; R144-C175 WeakPolarHBondContact CB-SG 3.42Å; R144-D633 IonicContact CZ-OD2 3.45Å; R144-D633 VanDerWaalsContact CZ-OD2 3.31Å; R144-D633 IonicContact NH1-OD2 2.68Å; R144-D633 PolarHBondContact NH1-OD2 3.47Å; R144-D633 IonicContact NH2-OD2 2.98Å; R144-D633 PolarHBondContact NH2-OD2 3.44Å; R144-D633 VanDerWaalsContact NH2-OD2 3.15Å; R144-D634 IonicContact NH2-OD1 2.79Å; R144-D634 PolarHBondContact NH2-OD1 3.44Å
145	V	88.7	Confident	86.9	Confident	22 Å²	22	59.9 Å²	59.9	13%	0.133	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	129.3	160	-177.5	0	0	0	0	109.4	R147 R148 V155 S171	V145-R147 VanDerWaalsContact CG1-C 3.49Å; V145-R148 HydrophobicContact CG1-CG 4.04Å; V145-V155 HydrophobicContact CG1-CG1 4.26Å; V145-V155 HydrophobicContact CG2-CG1 4.14Å; V145-S171 VanDerWaalsContact CG2-C 3.49Å; V145-S171 WeakPolarHBondContact CG2-O 3.25Å
146	K	85.2	Confident	87	Confident	92 Å²	92	59.5 Å²	59.5	40%	0.4	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-30.4	166.2	-165.3	-128	173.1	-178.9	0	111.9	R144 L156 K158	R144-K146 PolarHBondContact O-N 3.48Å; K146-L156 WeakPolarHBondContact CA-O 3.45Å; K146-L156 HydrophobicContact CB-CD2 4.07Å; K146-L156 WeakPolarHBondContact CB-O 3.4Å; K146-L156 HydrophobicContact CD-CD2 4.11Å; K146-L156 PolarHBondContact N-O 3.13Å; K146-K158 HydrophobicContact CB-CB 4.12Å; K146-K158 HydrophobicContact CB-CD 4.29Å; K146-K158 HydrophobicContact CB-CG 3.91Å; K146-K158 HydrophobicContact CD-CD 4.28Å; K146-K158 HydrophobicContact CD-CG 4.31Å; K146-K158 HydrophobicContact CG-CD 3.79Å; K146-K158 HydrophobicContact CG-CG 3.9Å
147	R	83.6	Confident	87.1	Confident	141 Å²	141	60.2 Å²	60.2	53%	0.532	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	128.1	169.4	-173.6	-171.3	-75.1	-179.3	-2.9	107.9	V145 E153 L156	V145-R147 VanDerWaalsContact CG1-C 3.49Å; R147-E153 IonicContact NH1-OE2 3.62Å; R147-E153 PolarHBondContact NH1-OE2 3.05Å; R147-L156 HydrophobicContact CB-CB 4.18Å; R147-L156 PolarHBondContact N-O 3.31Å; R147-L156 VanDerWaalsContact N-O 3.11Å; R147-L156 PolarHBondContact O-N 3.47Å
148	R	84.6	Confident	87.3	Confident	132 Å²	132	60.6 Å²	60.6	50%	0.498	30%	0.298	S	S	.	.			trans	-63.3	143.7	171.4	-66.7	-179.5	-179.3	-163.5	-2.5	109.6	V145 D685	V145-R148 HydrophobicContact CG1-CG 4.04Å; R148-D685 IonicContact CZ-OD1 2.68Å; R148-D685 IonicContact CZ-OD2 3.97Å; R148-D685 IonicContact NE-OD1 3.49Å; R148-D685 IonicContact NE-OD2 3.65Å; R148-D685 PolarHBondContact NE-OD2 3.21Å; R148-D685 IonicContact NH1-OD1 2.66Å; R148-D685 PolarHBondContact NH1-OD1 3.35Å; R148-D685 IonicContact NH1-OD2 3.56Å; R148-D685 IonicContact NH2-OD1 3.88Å; R148-D685 PolarHBondContact NH2-OD1 3.4Å; R148-D685 IonicContact NH2-OD2 3.95Å; R148-D685 PolarHBondContact NH2-OD2 3.43Å
149	G	83.9	Confident	87.4	Confident	18 Å²	18	60.1 Å²	60.1	19%	0.186	30%	0.3	C	S	.	.			trans	-62.9	151.4	173.7	0	0	0	0	0	110.8	H136 E153 V155	H136-G149 VanDerWaalsContact CE1-C 3.43Å; H136-G149 WeakPolarHBondContact NE2-CA 3.28Å; G149-E153 WeakPolarHBondContact CA-O 3.46Å; G149-V155 VanDerWaalsContact N-CG2 3.32Å
150	N	82.7	Confident	87.5	Confident	63 Å²	63	60 Å²	60	34%	0.337	30%	0.3	S	S	.	.			trans	-124.7	-174.7	177.2	64.6	62.4	0	0	0	110.2	F124 H136 K152 E153	F124-N150 WeakPolarHBondContact CB-O 3.33Å; H136-N150 PolarHBondContact NE2-N 3.31Å; H136-N150 PolarHBondContact NE2-O 2.82Å; H136-N150 VanDerWaalsContact NE2-O 3.09Å; N150-K152 PolarHBondContact O-N 2.98Å; N150-K152 PolarHBondContact OD1-N 2.89Å; N150-E153 PolarHBondContact N-O 2.93Å; N150-E153 PolarHBondContact ND2-OE2 3.38Å; N150-E153 VanDerWaalsContact O-O 3.08Å; N150-E153 PolarHBondContact OD1-N 2.88Å
151	E	79.8	Confident	87.5	Confident	71 Å²	71	58.7 Å²	58.7	33%	0.332	29%	0.291	S	S	.	.	S	Bend	trans	-61.6	-11.5	-176.6	-57.3	-178.9	132.4	0	0	113.9	K106 T118 L125	K106-E151 IonicContact NZ-OE1 2.74Å; K106-E151 PolarHBondContact NZ-OE1 2.82Å; K106-E151 IonicContact NZ-OE2 3.68Å; K106-E151 PolarHBondContact NZ-OE2 2.75Å; T118-E151 WeakPolarHBondContact CB-OE1 3.44Å; T118-E151 PolarHBondContact OG1-OE1 2.93Å; L125-E151 PolarHBondContact N-O 3.45Å
152	K	80.1	Confident	87.4	Confident	139 Å²	139	66.3 Å²	66.3	60%	0.604	32%	0.32	S	S	*	.	S	Bend	trans	-134.1	-13.7	-171.3	-61.5	168	-171.8	163.9	0	114.5	N150	N150-K152 PolarHBondContact O-N 2.98Å; N150-K152 PolarHBondContact OD1-N 2.89Å
153	E	83.7	Confident	87.4	Confident	92 Å²	92	68 Å²	68	43%	0.43	34%	0.336	S	S	.	.	S	Bend	trans	-134.6	147.6	-175.7	-53	-180	147.5	0	0	110.2	H136 R147 G149 N150	H136-E153 PolarHBondContact NE2-O 3.42Å; R147-E153 IonicContact NH1-OE2 3.62Å; R147-E153 PolarHBondContact NH1-OE2 3.05Å; G149-E153 WeakPolarHBondContact CA-O 3.46Å; N150-E153 PolarHBondContact N-O 2.93Å; N150-E153 PolarHBondContact ND2-OE2 3.38Å; N150-E153 VanDerWaalsContact O-O 3.08Å; N150-E153 PolarHBondContact OD1-N 2.88Å
154	D	87.5	Confident	87.4	Confident	48 Å²	48	67.2 Å²	67.2	26%	0.257	33%	0.332	S	S	.	.			trans	-78.4	166.8	179.4	-154.2	-3	0	0	0	112.8	F124 H136 S137 L156	F124-D154 HydrophobicContact CD1-CB 4.41Å; F124-D154 HydrophobicContact CE1-CB 3.81Å; F124-D154 HydrophobicContact CE2-CB 4.08Å; F124-D154 HydrophobicContact CZ-CB 3.62Å; H136-D154 WeakPolarHBondContact CA-OD1 3.5Å; H136-D154 IonicContact CD2-OD1 3.94Å; S137-D154 VanDerWaalsContact CB-OD2 3.31Å; S137-D154 WeakPolarHBondContact CB-OD2 3.42Å; S137-D154 PolarHBondContact N-OD1 3.26Å; S137-D154 PolarHBondContact OG-OD2 3.15Å; D154-L156 PolarHBondContact O-N 3.16Å
155	V	88.8	Confident	87.7	Confident	14 Å²	14	66.9 Å²	66.9	9%	0.085	33%	0.331	C	S	.	.			trans	-59.4	130	168.3	171.3	0	0	0	0	109.7	H136 S137 C139 V145 G149	H136-V155 HydrophobicContact CB-CG2 3.82Å; S137-V155 WeakPolarHBondContact O-CB 3.35Å; C139-V155 VanDerWaalsContact SG-CG1 3.56Å; V145-V155 HydrophobicContact CG1-CG1 4.26Å; V145-V155 HydrophobicContact CG2-CG1 4.14Å; G149-V155 VanDerWaalsContact N-CG2 3.32Å
156	L	89.2	Confident	87.9	Confident	90 Å²	90	66 Å²	66	47%	0.471	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.5	177.8	-168	156.7	0	0	0	109.9	K146 R147 D154	K146-L156 WeakPolarHBondContact CA-O 3.45Å; K146-L156 HydrophobicContact CB-CD2 4.07Å; K146-L156 WeakPolarHBondContact CB-O 3.4Å; K146-L156 HydrophobicContact CD-CD2 4.11Å; K146-L156 PolarHBondContact N-O 3.13Å; R147-L156 HydrophobicContact CB-CB 4.18Å; R147-L156 PolarHBondContact N-O 3.31Å; R147-L156 VanDerWaalsContact N-O 3.11Å; R147-L156 PolarHBondContact O-N 3.47Å; D154-L156 PolarHBondContact O-N 3.16Å
157	C	91.5	Very high	88	Confident	44 Å²	44	66.9 Å²	66.9	30%	0.297	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	149.5	-175.7	-49.8	0	0	0	0	112.9	C139 R144	C139-C157 WeakPolarHBondContact CA-SG 3.47Å; C139-C157 HydrophobicContact CB-CB 3.83Å; C139-C157 WeakPolarHBondContact CB-SG 3.31Å; C139-C157 WeakPolarHBondContact SG-CB 3.42Å; C139-C157 CovalentContact SG-SG 2.04Å; C139-C157 PolarHBondContact SG-SG 3.47Å; R144-C157 CarbonylContact O-C 3.51Å; R144-C157 VanDerWaalsContact O-CA 3.24Å; R144-C157 WeakPolarHBondContact O-CA 3.34Å
158	K	91.1	Very high	88.1	Confident	68 Å²	68	64.1 Å²	64.1	30%	0.296	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143.2	169.7	-98.4	-167.2	-173.9	171.7	0	109.7	T143 R144 K146 D634	T143-K158 CarbonylContact C-O 3.51Å; T143-K158 WeakPolarHBondContact CA-O 3.26Å; T143-K158 VanDerWaalsContact CB-O 3.26Å; T143-K158 WeakPolarHBondContact CB-O 3.44Å; R144-K158 HydrophobicContact CG-CB 4.49Å; R144-K158 PolarHBondContact N-O 2.99Å; R144-K158 PolarHBondContact O-N 2.89Å; K146-K158 HydrophobicContact CB-CB 4.12Å; K146-K158 HydrophobicContact CB-CD 4.29Å; K146-K158 HydrophobicContact CB-CG 3.91Å; K146-K158 HydrophobicContact CD-CD 4.28Å; K146-K158 HydrophobicContact CD-CG 4.31Å; K146-K158 HydrophobicContact CG-CD 3.79Å; K146-K158 HydrophobicContact CG-CG 3.9Å; K158-D634 VanDerWaalsContact NZ-CG 3.28Å; K158-D634 IonicContact NZ-OD1 3.74Å; K158-D634 PolarHBondContact NZ-OD1 2.88Å; K158-D634 IonicContact NZ-OD2 2.68Å; K158-D634 PolarHBondContact NZ-OD2 2.75Å; K158-D634 VanDerWaalsContact NZ-OD2 3.08Å
159	P	93.4	Very high	88.1	Confident	77 Å²	77	63.5 Å²	63.5	50%	0.5	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	142.7	167.9	-25.2	35.6	0	0	0	113.2	G142	G142-P159 CarbonylContact O-C 3.53Å; G142-P159 WeakPolarHBondContact O-CA 3.34Å
160	C	91.5	Very high	87.8	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-59.2	146	176.5	-69.2	0	0	0	0	112.5	G142 C175 R194	G142-C160 PolarHBondContact O-N 2.77Å; C160-C175 WeakPolarHBondContact CA-SG 3.3Å; C160-C175 HydrophobicContact CB-CB 3.79Å; C160-C175 WeakPolarHBondContact CB-SG 3.17Å; C160-C175 WeakPolarHBondContact SG-CB 3.29Å; C160-C175 CovalentContact SG-SG 2.03Å; C160-C175 PolarHBondContact SG-SG 2.66Å; C160-R194 HydrophobicContact CB-CB 4.21Å; C160-R194 HydrophobicContact CB-CG 4.38Å; C160-R194 VanDerWaalsContact O-CD 3.29Å; C160-R194 WeakPolarHBondContact O-CD 3.39Å; C160-R194 PolarHBondContact O-NH1 3.25Å
161	T	92	Very high	87	Confident	34 Å²	34	62.4 Å²	62.4	21%	0.209	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-63	162.6	176	30.3	0	0	0	0	111.8	G163 T164 D633	T161-G163 PolarHBondContact O-N 3.22Å; T161-T164 PolarHBondContact N-OG1 2.88Å; T161-T164 VanDerWaalsContact N-OG1 3.09Å; T161-T164 PolarHBondContact O-N 3.26Å; T161-T164 VanDerWaalsContact O-N 3.17Å; T161-T164 PolarHBondContact O-OG1 2.66Å; T161-T164 WeakPolarHBondContact OG1-CG2 3.42Å; T161-T164 PolarHBondContact OG1-OG1 3.11Å; T161-D633 WeakPolarHBondContact CG2-OD2 3.31Å; T161-D633 PolarHBondContact OG1-OD2 2.89Å
162	K	90.8	Very high	86.2	Confident	199 Å²	199	62 Å²	62	87%	0.865	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	135.6	171.5	-72.6	-176.8	179.1	179	0	108.2	T164	K162-T164 VanDerWaalsContact C-N 3.33Å
163	G	88.8	Confident	85.9	Confident	41 Å²	41	58 Å²	58	42%	0.423	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	3	-173.3	0	0	0	0	0	114.6	T161 H178	T161-G163 PolarHBondContact O-N 3.22Å; G163-H178 WeakPolarHBondContact CA-ND1 3.31Å; G163-H178 PolarHBondContact O-N 3.4Å
164	T	91.7	Very high	85.7	Confident	7 Å²	7	56.7 Å²	56.7	4%	0.043	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	155.5	175.6	75.4	0	0	0	0	112.4	T161 K162 C175 R176 N177	T161-T164 PolarHBondContact N-OG1 2.88Å; T161-T164 VanDerWaalsContact N-OG1 3.09Å; T161-T164 PolarHBondContact O-N 3.26Å; T161-T164 VanDerWaalsContact O-N 3.17Å; T161-T164 PolarHBondContact O-OG1 2.66Å; T161-T164 WeakPolarHBondContact OG1-CG2 3.42Å; T161-T164 PolarHBondContact OG1-OG1 3.11Å; K162-T164 VanDerWaalsContact C-N 3.33Å; T164-C175 WeakPolarHBondContact OG1-CB 3.35Å; T164-R176 CarbonylContact C-O 3.29Å; T164-R176 WeakPolarHBondContact CA-O 3.29Å; T164-R176 WeakPolarHBondContact CB-O 3.34Å; T164-N177 WeakPolarHBondContact CG2-OD1 3.44Å
165	F	92.3	Very high	85.9	Confident	13 Å²	13	55.1 Å²	55.1	6%	0.057	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	160.9	-175.7	76.6	-82.4	0	0	0	114.6	Q167 C175 R176 N177 H178 T193 R194 D197	F165-Q167 HydrophobicContact CD2-CG 3.88Å; F165-Q167 HydrophobicContact CE2-CG 3.8Å; F165-Q167 VanDerWaalsContact CE2-NE2 3.34Å; F165-C175 CarbonylContact O-C 3.6Å; F165-C175 WeakPolarHBondContact O-CA 3.43Å; F165-R176 HydrophobicContact CD1-CB 4.32Å; F165-R176 VanDerWaalsContact CD1-O 3.29Å; F165-R176 WeakPolarHBondContact CD1-O 3.49Å; F165-R176 HydrophobicContact CE1-CB 3.93Å; F165-R176 HydrophobicContact CZ-CB 4.14Å; F165-R176 PolarHBondContact N-O 2.94Å; F165-R176 PolarHBondContact O-N 3.45Å; F165-N177 WeakPolarHBondContact CE1-O 2.98Å; F165-H178 AromaticContact CD1-CD2 3.43Å; F165-H178 VanDerWaalsContact CD1-CD2 3.43Å; F165-H178 WeakPolarHBondContact CD1-CD2 3.34Å; F165-T193 WeakPolarHBondContact CB-O 3.13Å; F165-R194 CarbonylContact C-O 3.54Å; F165-R194 WeakPolarHBondContact CA-O 3.03Å; F165-R194 WeakPolarHBondContact CB-O 3.45Å; F165-D197 HydrophobicContact CD1-CB 4.29Å; F165-D197 HydrophobicContact CE1-CB 3.74Å; F165-D197 VanDerWaalsContact CE1-CG 3.45Å; F165-D197 WeakPolarHBondContact CE1-OD1 3.28Å; F165-D197 HydrophobicContact CE2-CB 4.13Å; F165-D197 HydrophobicContact CZ-CB 3.65Å
166	S	93	Very high	85.9	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.021	34%	0.336	C	S	.	.			trans	-141.4	120.8	166.2	-178	0	0	0	0	110.3	P141 G142 T143 V168 R194	P141-S166 CarbonylContact C-O 3.51Å; P141-S166 WeakPolarHBondContact CA-O 3.5Å; G142-S166 PolarHBondContact N-O 2.94Å; T143-S166 WeakPolarHBondContact O-CB 3.29Å; S166-V168 PolarHBondContact OG-O 3.35Å; S166-R194 PolarHBondContact N-O 2.83Å
167	Q	88.5	Confident	86.1	Confident	111 Å²	111	62.1 Å²	62.1	52%	0.519	34%	0.34	S	S	.	.			trans	-87.5	-18.6	-177.7	-79.1	170.3	11.3	0	0	114.1	F165 Q195	F165-Q167 HydrophobicContact CD2-CG 3.88Å; F165-Q167 HydrophobicContact CE2-CG 3.8Å; F165-Q167 VanDerWaalsContact CE2-NE2 3.34Å; Q167-Q195 WeakPolarHBondContact CA-O 3.08Å; Q167-Q195 WeakPolarHBondContact CG-O 3.45Å
168	V	85.3	Confident	86.2	Confident	82 Å²	82	61.7 Å²	61.7	50%	0.497	33%	0.334	S	S	.	.	S	Bend	trans	-129.9	141.9	-161.9	-172.4	0	0	0	0	110.3	S166 S170	S166-V168 PolarHBondContact OG-O 3.35Å; V168-S170 PolarHBondContact O-N 3.08Å
169	E	85.3	Confident	86.3	Confident	119 Å²	119	60.9 Å²	60.9	56%	0.556	33%	0.334	S	S	*	.			trans	-64.8	125.7	172.5	-65.5	-169.9	153.8	0	0	110.8	L138 C139 P141	L138-E169 HydrophobicContact CB-CB 4.07Å; L138-E169 HydrophobicContact CD1-CB 4.04Å; C139-E169 WeakPolarHBondContact O-CA 3.37Å; P141-E169 HydrophobicContact CG-CG 4.29Å
170	S	76.3	Confident	86.3	Confident	20 Å²	20	61.1 Å²	61.1	14%	0.14	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-151.9	141.4	-174.3	-168.1	0	0	0	0	113.8	C139 V168 A172 M173	C139-S170 VanDerWaalsContact CB-O 3.3Å; C139-S170 WeakPolarHBondContact CB-O 3.08Å; C139-S170 PolarHBondContact N-O 2.93Å; C139-S170 PolarHBondContact O-N 2.74Å; C139-S170 VanDerWaalsContact O-N 3.16Å; V168-S170 PolarHBondContact O-N 3.08Å; S170-A172 PolarHBondContact OG-N 2.78Å; S170-M173 PolarHBondContact OG-N 3.26Å
171	S	65.6	Low	86.3	Confident	39 Å²	39	61.2 Å²	61.2	27%	0.273	33%	0.332	S	S	.	.	S	Bend	trans	-89.7	0.4	169.3	50.5	0	0	0	0	113.6	V145	V145-S171 VanDerWaalsContact CG2-C 3.49Å; V145-S171 WeakPolarHBondContact CG2-O 3.25Å
172	A	64.4	Low	86.2	Confident	61 Å²	61	68.1 Å²	68.1	50%	0.504	36%	0.359	S	S	.	.	S	Bend	trans	-138.7	-26.1	-174.2	0	0	0	0	0	115.5	S170	S170-A172 PolarHBondContact OG-N 2.78Å
173	M	72.5	Confident	86	Confident	55 Å²	55	62.6 Å²	62.6	27%	0.271	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-71	135.4	-174.5	-77.3	173.2	42.8	0	0	113.8	S170	S170-M173 PolarHBondContact OG-N 3.26Å
174	S	81.1	Confident	85.9	Confident	66 Å²	66	65.4 Å²	65.4	46%	0.462	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-76.2	165.4	161	53.7	0	0	0	0	111.4
175	C	89.9	Confident	85.6	Confident	15 Å²	15	68.9 Å²	68.9	10%	0.101	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-73.9	138.8	170.9	-55.8	0	0	0	0	109.6	R144 C160 T164 F165	R144-C175 WeakPolarHBondContact CB-SG 3.42Å; C160-C175 WeakPolarHBondContact CA-SG 3.3Å; C160-C175 HydrophobicContact CB-CB 3.79Å; C160-C175 WeakPolarHBondContact CB-SG 3.17Å; C160-C175 WeakPolarHBondContact SG-CB 3.29Å; C160-C175 CovalentContact SG-SG 2.03Å; C160-C175 PolarHBondContact SG-SG 2.66Å; T164-C175 WeakPolarHBondContact OG1-CB 3.35Å; F165-C175 CarbonylContact O-C 3.6Å; F165-C175 WeakPolarHBondContact O-CA 3.43Å
176	R	90.3	Very high	85.6	Confident	149 Å²	149	74.7 Å²	74.7	56%	0.562	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	143.8	176.3	-60.1	180	-178.1	-179.3	0.2	109.6	T164 F165	T164-R176 CarbonylContact C-O 3.29Å; T164-R176 WeakPolarHBondContact CA-O 3.29Å; T164-R176 WeakPolarHBondContact CB-O 3.34Å; F165-R176 HydrophobicContact CD1-CB 4.32Å; F165-R176 VanDerWaalsContact CD1-O 3.29Å; F165-R176 WeakPolarHBondContact CD1-O 3.49Å; F165-R176 HydrophobicContact CE1-CB 3.93Å; F165-R176 HydrophobicContact CZ-CB 4.14Å; F165-R176 PolarHBondContact N-O 2.94Å; F165-R176 PolarHBondContact O-N 3.45Å
177	N	92.9	Very high	85.4	Confident	102 Å²	102	78.7 Å²	78.7	55%	0.545	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	144.5	172.4	-66.9	-9.9	0	0	0	110.3	T164 F165	T164-N177 WeakPolarHBondContact CG2-OD1 3.44Å; F165-N177 WeakPolarHBondContact CE1-O 2.98Å
178	H	94.5	Very high	85.6	Confident	35 Å²	35	77.7 Å²	77.7	16%	0.162	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-62.1	138.9	170.9	-74.3	149.5	0	0	0	110.7	G163 F165 D180 T193 T196 D197	G163-H178 WeakPolarHBondContact CA-ND1 3.31Å; G163-H178 PolarHBondContact O-N 3.4Å; F165-H178 AromaticContact CD1-CD2 3.43Å; F165-H178 VanDerWaalsContact CD1-CD2 3.43Å; F165-H178 WeakPolarHBondContact CD1-CD2 3.34Å; H178-D180 PolarHBondContact O-N 3.32Å; H178-T193 PolarHBondContact CE1-O 3.26Å; H178-T193 PolarHBondContact NE2-O 2.85Å; H178-T196 PolarHBondContact NE2-O 3.42Å; H178-T196 VanDerWaalsContact NE2-O 3.08Å; H178-D197 VanDerWaalsContact CA-OD1 3.23Å; H178-D197 WeakPolarHBondContact CA-OD1 3.41Å; H178-D197 IonicContact CD2-OD1 3.93Å
179	T	92.9	Very high	85.9	Confident	50 Å²	50	78.9 Å²	78.9	31%	0.307	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-59	119.8	175.2	-68.3	0	0	0	0	110.1	C181 L184 D197 N198	T179-C181 PolarHBondContact O-N 3.03Å; T179-L184 HydrophobicContact CG2-CD1 3.48Å; T179-L184 VanDerWaalsContact CG2-CD1 3.48Å; T179-D197 WeakPolarHBondContact CB-OD2 3.5Å; T179-D197 PolarHBondContact N-OD1 3.04Å; T179-D197 PolarHBondContact OG1-OD2 3.33Å; T179-N198 VanDerWaalsContact O-CB 3.31Å; T179-N198 WeakPolarHBondContact O-CB 3.23Å; T179-N198 PolarHBondContact O-ND2 3.43Å
180	D	92.8	Very high	86.2	Confident	83 Å²	83	76.8 Å²	76.8	44%	0.444	42%	0.424	S	S	.	.			trans	-77.9	103.4	173	-179	21.9	0	0	0	110.9	H178 K182 A183 L184	H178-D180 PolarHBondContact O-N 3.32Å; D180-K182 PolarHBondContact O-N 3.4Å; D180-K182 WeakPolarHBondContact OD1-CB 3.39Å; D180-K182 PolarHBondContact OD1-N 2.96Å; D180-A183 HydrophobicContact CB-CB 4.14Å; D180-A183 VanDerWaalsContact OD2-CB 3.3Å; D180-A183 WeakPolarHBondContact OD2-CB 3.26Å; D180-A183 PolarHBondContact OD2-N 2.87Å; D180-L184 WeakPolarHBondContact O-CG 3.49Å; D180-L184 PolarHBondContact O-N 3.4Å
181	C	91.9	Very high	86.9	Confident	2 Å²	2	80.1 Å²	80.1	1%	0.014	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-31.6	174.5	-51.3	0	0	0	0	112.5	T179 L184 A185 R186 L188 C200	T179-C181 PolarHBondContact O-N 3.03Å; C181-L184 CarbonylContact O-C 3.51Å; C181-L184 PolarHBondContact O-N 3.26Å; C181-A185 PolarHBondContact O-N 2.82Å; C181-R186 CarbonylContact C-O 3.48Å; C181-R186 VanDerWaalsContact C-O 3.29Å; C181-R186 HydrophobicContact CB-CB 4.23Å; C181-R186 WeakPolarHBondContact CB-O 3.45Å; C181-R186 CarbonylContact O-C 3.59Å; C181-R186 WeakPolarHBondContact O-CA 3.41Å; C181-R186 PolarHBondContact O-N 2.84Å; C181-L188 HydrophobicContact CB-CB 4.36Å; C181-L188 VanDerWaalsContact SG-CD1 3.55Å; C181-C200 WeakPolarHBondContact CA-SG 3.48Å; C181-C200 HydrophobicContact CB-CB 3.67Å; C181-C200 WeakPolarHBondContact CB-SG 3.24Å; C181-C200 WeakPolarHBondContact SG-CA 3.34Å; C181-C200 WeakPolarHBondContact SG-CB 3.3Å; C181-C200 CovalentContact SG-SG 2.03Å; C181-C200 PolarHBondContact SG-SG 3.22Å
182	K	88.8	Confident	88.2	Confident	178 Å²	178	79.1 Å²	79.1	77%	0.774	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-48.2	-177.6	-61.3	177.8	-179	175.3	0	111.3	D180 L184 A185	D180-K182 PolarHBondContact O-N 3.4Å; D180-K182 WeakPolarHBondContact OD1-CB 3.39Å; D180-K182 PolarHBondContact OD1-N 2.96Å; K182-L184 PolarHBondContact O-N 3.09Å; K182-A185 PolarHBondContact O-N 2.79Å
183	A	87.7	Confident	89.6	Confident	83 Å²	83	79.6 Å²	79.6	69%	0.686	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.1	171.9	0	0	0	0	0	112.6	D180 A185	D180-A183 HydrophobicContact CB-CB 4.14Å; D180-A183 VanDerWaalsContact OD2-CB 3.3Å; D180-A183 WeakPolarHBondContact OD2-CB 3.26Å; D180-A183 PolarHBondContact OD2-N 2.87Å; A183-A185 VanDerWaalsContact C-N 3.29Å; A183-A185 PolarHBondContact O-N 3.15Å
184	L	86.4	Confident	90.5	Very high	100 Å²	100	82.8 Å²	82.8	52%	0.524	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	10.2	175.1	-62.8	178.8	0	0	0	114.6	T179 D180 C181 K182 R186	T179-L184 HydrophobicContact CG2-CD1 3.48Å; T179-L184 VanDerWaalsContact CG2-CD1 3.48Å; D180-L184 WeakPolarHBondContact O-CG 3.49Å; D180-L184 PolarHBondContact O-N 3.4Å; C181-L184 CarbonylContact O-C 3.51Å; C181-L184 PolarHBondContact O-N 3.26Å; K182-L184 PolarHBondContact O-N 3.09Å; L184-R186 PolarHBondContact O-N 3.43Å
185	A	86.2	Confident	91	Very high	81 Å²	81	84.8 Å²	84.8	67%	0.669	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	34.3	-175.7	0	0	0	0	0	114.2	C181 K182 A183	C181-A185 PolarHBondContact O-N 2.82Å; K182-A185 PolarHBondContact O-N 2.79Å; A183-A185 VanDerWaalsContact C-N 3.29Å; A183-A185 PolarHBondContact O-N 3.15Å
186	R	90.6	Very high	91.2	Very high	135 Å²	135	87.1 Å²	87.1	51%	0.509	46%	0.462	S	S	.	.			trans	-120.9	155.2	-176.6	-78.3	-176.6	-170.6	-159.3	4.6	111.7	C181 L184 C200 G201	C181-R186 CarbonylContact C-O 3.48Å; C181-R186 VanDerWaalsContact C-O 3.29Å; C181-R186 HydrophobicContact CB-CB 4.23Å; C181-R186 WeakPolarHBondContact CB-O 3.45Å; C181-R186 CarbonylContact O-C 3.59Å; C181-R186 WeakPolarHBondContact O-CA 3.41Å; C181-R186 PolarHBondContact O-N 2.84Å; L184-R186 PolarHBondContact O-N 3.43Å; R186-C200 HydrophobicContact CB-CB 3.97Å; R186-G201 CarbonylContact C-O 3.43Å; R186-G201 WeakPolarHBondContact CA-O 3.38Å; R186-G201 WeakPolarHBondContact CB-O 3.36Å; R186-G201 VanDerWaalsContact CG-O 3.31Å; R186-G201 WeakPolarHBondContact CG-O 3.34Å
187	L	90.3	Very high	91.4	Very high	87 Å²	87	81.8 Å²	81.8	46%	0.455	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	140	170.6	-71.3	175.3	0	0	0	110.3	L189 C200 G201 P203	L187-L189 PolarHBondContact O-N 3.39Å; L187-C200 CarbonylContact O-C 3.58Å; L187-C200 WeakPolarHBondContact O-CA 3.36Å; L187-G201 PolarHBondContact N-O 3.49Å; L187-G201 PolarHBondContact O-N 3.27Å; L187-P203 HydrophobicContact CG-CB 4.45Å
188	L	91.7	Very high	91.4	Very high	89 Å²	89	78.4 Å²	78.4	47%	0.466	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	109.5	167.8	-179.2	66.1	0	0	0	108.7	C181 T190 P191 N198	C181-L188 HydrophobicContact CB-CB 4.36Å; C181-L188 VanDerWaalsContact SG-CD1 3.55Å; L188-T190 VanDerWaalsContact CD1-O 3.32Å; L188-T190 WeakPolarHBondContact CD1-O 3.36Å; L188-P191 HydrophobicContact CD2-CB 4.42Å; L188-N198 HydrophobicContact CD1-CB 3.59Å; L188-N198 VanDerWaalsContact CD1-CG 3.47Å
189	L	91.3	Very high	91.4	Very high	107 Å²	107	80.4 Å²	80.4	56%	0.56	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	-34.7	176.8	-62.9	-177.8	0	0	0	112.1	L187 V199	L187-L189 PolarHBondContact O-N 3.39Å; L189-V199 HydrophobicContact CB-CG1 4.47Å; L189-V199 PolarHBondContact N-O 3.46Å
190	T	91.4	Very high	91.5	Very high	76 Å²	76	79.1 Å²	79.1	47%	0.466	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	124.7	-179.6	-50.2	0	0	0	0	109.2	L188 V199	L188-T190 VanDerWaalsContact CD1-O 3.32Å; L188-T190 WeakPolarHBondContact CD1-O 3.36Å; T190-V199 PolarHBondContact N-O 3.09Å; T190-V199 PolarHBondContact O-N 3.17Å
191	P	92.2	Very high	91.4	Very high	90 Å²	90	75.3 Å²	75.3	58%	0.584	41%	0.414	S	S	*	.			trans	-67.9	139.8	178	28.9	-34.5	0	0	0	111	L188	L188-P191 HydrophobicContact CD2-CB 4.42Å
192	G	92	Very high	91.1	Very high	17 Å²	17	80 Å²	80	18%	0.175	45%	0.445	C	S	.	.			trans	-66.2	154.4	174.8	0	0	0	0	0	112.6	T196 D197 N198	G192-T196 CarbonylContact C-O 3.57Å; G192-T196 VanDerWaalsContact CA-O 3.28Å; G192-T196 WeakPolarHBondContact CA-O 3.36Å; G192-D197 VanDerWaalsContact CA-C 3.49Å; G192-D197 WeakPolarHBondContact CA-O 3.45Å; G192-N198 PolarHBondContact N-OD1 2.91Å
193	T	93.2	Very high	90.4	Very high	72 Å²	72	75.5 Å²	75.5	44%	0.442	43%	0.434	S	S	.	.			trans	-106.2	-176.5	173.1	70.5	0	0	0	0	109.4	F165 H178 Q195 T196	F165-T193 WeakPolarHBondContact CB-O 3.13Å; H178-T193 PolarHBondContact CE1-O 3.26Å; H178-T193 PolarHBondContact NE2-O 2.85Å; T193-Q195 PolarHBondContact O-N 3.46Å; T193-Q195 PolarHBondContact OG1-N 3.21Å; T193-T196 PolarHBondContact N-O 3.32Å; T193-T196 PolarHBondContact N-OG1 3.27Å; T193-T196 PolarHBondContact OG1-N 3.17Å; T193-T196 PolarHBondContact OG1-OG1 2.87Å
194	R	91.7	Very high	89.3	Confident	121 Å²	121	76 Å²	76	46%	0.457	43%	0.432	S	S	.	.	S	Bend	trans	-64.3	-21.5	167.7	-62.6	-176	-160.4	-138.1	12.2	111.9	G142 C160 F165 S166	G142-R194 VanDerWaalsContact CA-O 3.25Å; G142-R194 WeakPolarHBondContact CA-O 3.33Å; C160-R194 HydrophobicContact CB-CB 4.21Å; C160-R194 HydrophobicContact CB-CG 4.38Å; C160-R194 VanDerWaalsContact O-CD 3.29Å; C160-R194 WeakPolarHBondContact O-CD 3.39Å; C160-R194 PolarHBondContact O-NH1 3.25Å; F165-R194 CarbonylContact C-O 3.54Å; F165-R194 WeakPolarHBondContact CA-O 3.03Å; F165-R194 WeakPolarHBondContact CB-O 3.45Å; S166-R194 PolarHBondContact N-O 2.83Å
195	Q	93	Very high	87.9	Confident	108 Å²	108	76 Å²	76	51%	0.505	45%	0.447	S	S	.	.	S	Bend	trans	-96.5	-26.5	-179.5	-61.4	-173.3	-10.2	0	0	113.2	P141 Q167 T193	P141-Q195 HydrophobicContact CB-CG 4.17Å; P141-Q195 PolarHBondContact O-NE2 2.79Å; Q167-Q195 WeakPolarHBondContact CA-O 3.08Å; Q167-Q195 WeakPolarHBondContact CG-O 3.45Å; T193-Q195 PolarHBondContact O-N 3.46Å; T193-Q195 PolarHBondContact OG1-N 3.21Å
196	T	92.4	Very high	86.2	Confident	65 Å²	65	78.4 Å²	78.4	40%	0.399	45%	0.453	S	S	.	.	S	Bend	trans	-129	152.5	-167.8	58.8	0	0	0	0	112.1	H178 G192 T193	H178-T196 PolarHBondContact NE2-O 3.42Å; H178-T196 VanDerWaalsContact NE2-O 3.08Å; G192-T196 CarbonylContact C-O 3.57Å; G192-T196 VanDerWaalsContact CA-O 3.28Å; G192-T196 WeakPolarHBondContact CA-O 3.36Å; T193-T196 PolarHBondContact N-O 3.32Å; T193-T196 PolarHBondContact N-OG1 3.27Å; T193-T196 PolarHBondContact OG1-N 3.17Å; T193-T196 PolarHBondContact OG1-OG1 2.87Å
197	D	94.9	Very high	84.4	Confident	36 Å²	36	80 Å²	80	19%	0.193	47%	0.471	C	S	.	.			trans	-79.6	165.3	178.1	-158.1	4.5	0	0	0	112.6	F165 H178 T179 G192	F165-D197 HydrophobicContact CD1-CB 4.29Å; F165-D197 HydrophobicContact CE1-CB 3.74Å; F165-D197 VanDerWaalsContact CE1-CG 3.45Å; F165-D197 WeakPolarHBondContact CE1-OD1 3.28Å; F165-D197 HydrophobicContact CE2-CB 4.13Å; F165-D197 HydrophobicContact CZ-CB 3.65Å; H178-D197 VanDerWaalsContact CA-OD1 3.23Å; H178-D197 WeakPolarHBondContact CA-OD1 3.41Å; H178-D197 IonicContact CD2-OD1 3.93Å; T179-D197 WeakPolarHBondContact CB-OD2 3.5Å; T179-D197 PolarHBondContact N-OD1 3.04Å; T179-D197 PolarHBondContact OG1-OD2 3.33Å; G192-D197 VanDerWaalsContact CA-C 3.49Å; G192-D197 WeakPolarHBondContact CA-O 3.45Å
198	N	94.1	Very high	82.1	Confident	32 Å²	32	81.2 Å²	81.2	17%	0.171	49%	0.487	C	S	.	.			trans	-58.2	135.9	162.8	-82.3	-17.4	0	0	0	110.7	T179 L188 G192	T179-N198 VanDerWaalsContact O-CB 3.31Å; T179-N198 WeakPolarHBondContact O-CB 3.23Å; T179-N198 PolarHBondContact O-ND2 3.43Å; L188-N198 HydrophobicContact CD1-CB 3.59Å; L188-N198 VanDerWaalsContact CD1-CG 3.47Å; G192-N198 PolarHBondContact N-OD1 2.91Å
199	V	94.7	Very high	80	Confident	76 Å²	76	82.5 Å²	82.5	46%	0.461	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.5	173.1	-175.6	0	0	0	0	109.4	L189 T190	L189-V199 HydrophobicContact CB-CG1 4.47Å; L189-V199 PolarHBondContact N-O 3.46Å; T190-V199 PolarHBondContact N-O 3.09Å; T190-V199 PolarHBondContact O-N 3.17Å
200	C	94.2	Very high	77.7	Confident	24 Å²	24	83.4 Å²	83.4	16%	0.162	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.7	-175.2	-53.7	0	0	0	0	113	C181 R186 L187	C181-C200 WeakPolarHBondContact CA-SG 3.48Å; C181-C200 HydrophobicContact CB-CB 3.67Å; C181-C200 WeakPolarHBondContact CB-SG 3.24Å; C181-C200 WeakPolarHBondContact SG-CA 3.34Å; C181-C200 WeakPolarHBondContact SG-CB 3.3Å; C181-C200 CovalentContact SG-SG 2.03Å; C181-C200 PolarHBondContact SG-SG 3.22Å; R186-C200 HydrophobicContact CB-CB 3.97Å; L187-C200 CarbonylContact O-C 3.58Å; L187-C200 WeakPolarHBondContact O-CA 3.36Å
201	G	89.9	Confident	75.4	Confident	3 Å²	3	84.6 Å²	84.6	3%	0.031	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	168	179.9	0	0	0	0	0	114.2	R186 L187	R186-G201 CarbonylContact C-O 3.43Å; R186-G201 WeakPolarHBondContact CA-O 3.38Å; R186-G201 WeakPolarHBondContact CB-O 3.36Å; R186-G201 VanDerWaalsContact CG-O 3.31Å; R186-G201 WeakPolarHBondContact CG-O 3.34Å; L187-G201 PolarHBondContact N-O 3.49Å; L187-G201 PolarHBondContact O-N 3.27Å
202	P	86.9	Confident	73	Confident	101 Å²	101	86.4 Å²	86.4	66%	0.656	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-59.8	148.4	172.9	28.4	-35.1	0	0	0	110.6	S204	P202-S204 PolarHBondContact O-N 3.03Å
203	P	74.1	Confident	70.3	Confident	83 Å²	83	92 Å²	92	54%	0.539	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-62.1	122.7	168	27.3	-32.6	0	0	0	109.2	L187 A205	L187-P203 HydrophobicContact CG-CB 4.45Å; P203-A205 PolarHBondContact O-N 3.46Å; P203-A205 VanDerWaalsContact O-N 3.11Å
204	S	64.1	Low	67.7	Low	94 Å²	94	94.5 Å²	94.5	66%	0.657	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-57.6	117.9	177.5	-61.5	0	0	0	0	109.6	P202 T206	P202-S204 PolarHBondContact O-N 3.03Å; S204-T206 PolarHBondContact O-N 3.45Å
205	A	56.6	Low	65.5	Low	100 Å²	100	94.6 Å²	94.6	83%	0.826	60%	0.596	S	S	*	*			trans	-62.9	103.6	175.7	0	0	0	0	0	109.2	P203	P203-A205 PolarHBondContact O-N 3.46Å; P203-A205 VanDerWaalsContact O-N 3.11Å
206	T	51.3	Low	62.8	Low	131 Å²	131	97.5 Å²	97.5	80%	0.804	61%	0.614	S	S	*	*			trans	-61.2	143.4	173	31.1	0	0	0	0	109.8	S204 S208	S204-T206 PolarHBondContact O-N 3.45Å; T206-S208 PolarHBondContact O-N 2.97Å; T206-S208 VanDerWaalsContact O-N 3.09Å
207	L	53.2	Low	59.9	Low	167 Å²	167	98 Å²	98	87%	0.874	63%	0.632	S	S	*	*			trans	-51.6	115.7	-166.3	-74.3	65.7	0	0	0	111.6	S209	L207-S209 PolarHBondContact O-N 3Å
208	S	41.1	Very low	57.5	Low	114 Å²	114	102.7 Å²	102.7	80%	0.797	67%	0.665	S	S	*	*			trans	-70.5	111.8	165.1	-165.7	0	0	0	0	108.1	T206 V210	T206-S208 PolarHBondContact O-N 2.97Å; T206-S208 VanDerWaalsContact O-N 3.09Å; S208-V210 PolarHBondContact O-N 2.9Å
209	S	47.6	Very low	54.7	Low	115 Å²	115	105.7 Å²	105.7	80%	0.804	69%	0.694	S	S	*	*			trans	-74.4	93.8	-175.1	56	0	0	0	0	111.4	L207	L207-S209 PolarHBondContact O-N 3Å
210	V	43.1	Very low	51.9	Low	127 Å²	127	111.8 Å²	111.8	77%	0.77	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-75.3	127.4	169.6	-176.4	0	0	0	0	109.1	S208	S208-V210 PolarHBondContact O-N 2.9Å
211	P	43.8	Very low	49	Very low	101 Å²	101	115 Å²	115	66%	0.656	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-71.4	154.5	179.2	29.1	-34.7	0	0	0	112.1
212	P	41.4	Very low	46.3	Very low	128 Å²	128	121.9 Å²	121.9	83%	0.831	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-76.3	131	-175.1	30.3	-34.6	0	0	0	112.4
213	T	35.5	Very low	43.6	Very low	134 Å²	134	125.6 Å²	125.6	82%	0.822	79%	0.793	S	S	*	*			trans	-142.3	102.4	164.7	-54.7	0	0	0	0	109.6
214	T	38.3	Very low	41.5	Very low	125 Å²	125	126.4 Å²	126.4	77%	0.767	80%	0.796	S	S	*	*			trans	-70.3	149.4	171.9	-2.8	0	0	0	0	110.6
215	P	44.8	Very low	40.1	Very low	123 Å²	123	128.7 Å²	128.7	80%	0.799	80%	0.796	S	S	*	*				-145.1	124.1	99.2	34.4	-17.6	0	0	0	116.4
216	L	36.1	Very low	38.8	Very low	169 Å²	169	130.9 Å²	130.9	89%	0.885	79%	0.79	S	S	*	*				50.7	66.1	127.9	-143.1	73.6	0	0	0	122.6
217	G	31.3	Very low	37.6	Very low	74 Å²	74	129 Å²	129	76%	0.763	78%	0.778	S	S	*	*			trans	72.3	-174	136.2	0	0	0	0	0	120.3
218	P	46	Very low	36.7	Very low	136 Å²	136	127.9 Å²	127.9	88%	0.883	77%	0.771	S	S	*	*			cis	-115.2	176.1	-7.9	40.3	-28.2	0	0	0	114.5
219	A	35.2	Very low	36.1	Very low	95 Å²	95	131.2 Å²	131.2	79%	0.785	78%	0.776	S	S	*	*			trans	-71.6	157.2	-167.8	0	0	0	0	0	117.4
220	Q	34.6	Very low	35.1	Very low	203 Å²	203	130.6 Å²	130.6	95%	0.949	77%	0.772	S	S	*	*				-148.4	163.1	122.9	-108.4	171.6	21	0	0	110.5
221	A	34.1	Very low	34.5	Very low	91 Å²	91	129.4 Å²	129.4	75%	0.752	77%	0.77	S	S	*	*			trans	-122.3	150.4	-154.3	0	0	0	0	0	115.3
222	V	32.2	Very low	33.8	Very low	149 Å²	149	131 Å²	131	90%	0.903	78%	0.777	S	S	*	*			trans	-139.5	143	154.4	-176.8	0	0	0	0	108.2
223	F	30.3	Very low	33.4	Very low	179 Å²	179	130 Å²	130	79%	0.785	77%	0.773	S	S	*	*			trans	-101.4	135.7	-179.3	-119.5	-121.4	0	0	0	110.6
224	V	31.6	Very low	33.4	Very low	100 Å²	100	129.9 Å²	129.9	61%	0.606	78%	0.775	S	S	*	*				29.5	132	106.1	167	0	0	0	0	115.3
225	Q	34.2	Very low	32.7	Very low	142 Å²	142	129.3 Å²	129.3	66%	0.664	78%	0.776	S	S	*	*			cis	-168.8	171.9	19.1	-123.6	16.2	37.8	0	0	105.2
226	E	29.6	Very low	32	Very low	146 Å²	146	130 Å²	130	68%	0.682	77%	0.772	S	S	*	*			cis	-171.4	-160.9	-15.2	-144.6	-169.2	-78.5	0	0	105.6
227	T	26.3	Very low	31.7	Very low	91 Å²	91	129.2 Å²	129.2	56%	0.558	77%	0.769	S	S	*	*			cis	-159.6	-173.2	0.1	-167.1	0	0	0	0	111.1
228	I	33.4	Very low	31.4	Very low	143 Å²	143	129.2 Å²	129.2	73%	0.733	77%	0.769	S	S	*	*			trans	-1.5	138	157.5	-65.9	156.5	0	0	0	119
229	M	29.4	Very low	30.5	Very low	184 Å²	184	130.9 Å²	130.9	91%	0.906	77%	0.765	S	S	*	*			trans	-150.1	144.5	135.2	-122.3	174.7	75	0	0	114.5
230	S	26.6	Very low	30	Very low	102 Å²	102	135 Å²	135	71%	0.713	77%	0.768	S	S	*	*			trans	-149	175	168.3	-173.5	0	0	0	0	108.5
231	S	29.5	Very low	29.6	Very low	103 Å²	103	135.5 Å²	135.5	72%	0.72	76%	0.761	S	S	*	*			trans	72.8	98	176.2	66.9	0	0	0	0	119.4
232	V	30.2	Very low	29.2	Very low	134 Å²	134	141 Å²	141	81%	0.812	77%	0.768	S	S	*	*				67.6	131.2	108.5	170.4	0	0	0	0	121.5
233	S	32.8	Very low	28.9	Very low	108 Å²	108	141.1 Å²	141.1	76%	0.755	76%	0.763	S	S	*	*			trans	74.1	145.5	161.9	-65.8	0	0	0	0	119.2
234	P	34.9	Very low	29.7	Very low	130 Å²	130	137.9 Å²	137.9	84%	0.844	76%	0.76	S	S	*	*				-145.6	171.1	113.2	40.8	-28.2	0	0	0	116.5
235	S	23.9	Very low	29.3	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	77%	0.767	S	S	*	*			trans	-167	168.2	170.2	-128.1	0	0	0	0	108.9
236	L	29.8	Very low	28.9	Very low	137 Å²	137	138.6 Å²	138.6	72%	0.717	77%	0.773	S	S	*	*			cis	-155.7	147.1	6.1	-179.6	65.7	0	0	0	109.5
237	N	29	Very low	29	Very low	153 Å²	153	139.6 Å²	139.6	82%	0.818	78%	0.778	S	S	*	*			trans	64.8	150.4	176.7	-58.7	-28.1	0	0	0	116
238	G	26.2	Very low	29	Very low	75 Å²	75	141.5 Å²	141.5	77%	0.773	80%	0.795	S	S	*	*			cis	163.2	177.9	-1	0	0	0	0	0	109.8
239	H	26.6	Very low	28.8	Very low	170 Å²	170	139.1 Å²	139.1	79%	0.787	80%	0.797	S	S	*	*			cis	-175.6	123	-16.8	165.9	99.4	0	0	0	108.5
240	E	24.1	Very low	28.6	Very low	182 Å²	182	135.3 Å²	135.3	85%	0.85	79%	0.794	S	S	*	*			trans	-157	101.7	160.1	-123.8	-163.7	131.7	0	0	116.2
241	R	27.6	Very low	28.6	Very low	214 Å²	214	138.4 Å²	138.4	81%	0.808	80%	0.801	S	S	*	*			trans	37.5	99.1	131.8	-160.9	-177.3	-159.1	174.9	6.5	121.9
242	K	24.7	Very low	28.5	Very low	205 Å²	205	141.2 Å²	141.2	89%	0.891	80%	0.803	S	S	*	*				-166.4	140.1	127.8	-116.9	172.8	-177.5	175.1	0	114.4
243	D	26.4	Very low	28.5	Very low	152 Å²	152	142 Å²	142	81%	0.813	80%	0.802	S	S	*	*			trans	-114.8	171.6	176.2	-82.7	-59.1	0	0	0	110.1
244	P	46	Very low	28.2	Very low	111 Å²	111	148.7 Å²	148.7	72%	0.721	81%	0.811	S	S	*	*			cis	-135.1	-171.6	-12.6	28.1	-4.8	0	0	0	114.8
245	L	25.2	Very low	27.7	Very low	143 Å²	143	151.7 Å²	151.7	75%	0.749	81%	0.81	S	S	*	*			trans	89.7	107.1	141.4	-132	85.4	0	0	0	121.2
246	S	25.5	Very low	27.8	Very low	114 Å²	114	150.7 Å²	150.7	80%	0.797	81%	0.809	S	S	*	*				-179.7	84.7	125.8	-168.9	0	0	0	0	108.8
247	Q	30.3	Very low	27.8	Very low	167 Å²	167	151.3 Å²	151.3	78%	0.78	82%	0.818	S	S	*	*				61.1	117	92.9	-75.8	-163.6	-14.2	0	0	116.4
248	S	27.3	Very low	27.5	Very low	131 Å²	131	147.6 Å²	147.6	92%	0.916	82%	0.816	S	S	*	*			trans	-72.9	149	171.2	-42.4	0	0	0	0	112.1
249	A	28	Very low	27.6	Very low	94 Å²	94	147.5 Å²	147.5	78%	0.777	82%	0.815	S	S	*	*			trans	-110.4	109.9	168.8	0	0	0	0	0	111.1
250	A	26.2	Very low	27.6	Very low	103 Å²	103	149 Å²	149	85%	0.851	82%	0.823	S	S	*	*			trans	-84.5	148.1	154.7	0	0	0	0	0	108.6
251	I	26.8	Very low	27.8	Very low	167 Å²	167	148.5 Å²	148.5	86%	0.856	83%	0.826	S	S	*	*			trans	-116.4	117.5	174.7	-61.1	-179.5	0	0	0	109.4
252	Q	27.6	Very low	27.9	Very low	162 Å²	162	141.7 Å²	141.7	76%	0.757	82%	0.822	S	S	*	*			trans	-127.2	156.2	167.6	-104.9	-74.7	8.5	0	0	108
253	L	29.3	Very low	27.9	Very low	150 Å²	150	135.2 Å²	135.2	79%	0.785	81%	0.814	S	S	*	*			trans	-15.3	141.6	-175.7	-100.2	66.3	0	0	0	119.3
254	R	26.4	Very low	27.9	Very low	250 Å²	250	134.9 Å²	134.9	94%	0.943	82%	0.817	S	S	*	*			trans	-124.5	134.7	142.5	-81.9	-164.9	173.5	-168.1	-1	112.3
255	K	24.8	Very low	26.9	Very low	192 Å²	192	136.4 Å²	136.4	84%	0.835	81%	0.814	S	S	*	*			trans	-96.5	143.9	171	172.2	178.4	176.4	-178.7	0	108.4
256	A	25.7	Very low	26.9	Very low	93 Å²	93	136.4 Å²	136.4	77%	0.769	81%	0.814	S	S	*	*			trans	-84.5	157.7	172.1	0	0	0	0	0	111.8
257	V	29.4	Very low	26.9	Very low	149 Å²	149	137.5 Å²	137.5	90%	0.903	81%	0.809	S	S	*	*			trans	-126.4	137	177	174.6	0	0	0	0	109.4
258	G	24.6	Very low	26.8	Very low	76 Å²	76	135.8 Å²	135.8	78%	0.784	80%	0.804	S	S	*	*			trans	-167.3	151.7	169.9	0	0	0	0	0	106.4
259	G	26.8	Very low	26.7	Very low	73 Å²	73	134.7 Å²	134.7	75%	0.753	79%	0.792	S	S	*	*			trans	-157.1	-152.3	-170.2	0	0	0	0	0	114.4
260	E	27.3	Very low	26.9	Very low	201 Å²	201	138 Å²	138	94%	0.939	79%	0.791	S	S	*	*			trans	83.1	120.7	177.1	-61.1	-172.5	96.6	0	0	118.9
261	D	29	Very low	26.9	Very low	172 Å²	172	138.4 Å²	138.4	92%	0.92	79%	0.788	S	S	*	*			trans	88.1	147.6	139.3	-148.9	24.3	0	0	0	122.8
262	G	28.2	Very low	26.9	Very low	71 Å²	71	133.7 Å²	133.7	73%	0.732	78%	0.78	S	S	*	*			trans	82.7	125.5	-179.5	0	0	0	0	0	115
263	G	25.7	Very low	27.1	Very low	69 Å²	69	131.9 Å²	131.9	71%	0.711	78%	0.78	S	S	*	*			cis	125.6	136.1	-3	0	0	0	0	0	112.6
264	V	26.6	Very low	27.6	Very low	145 Å²	145	130.9 Å²	130.9	88%	0.879	78%	0.782	S	S	*	*			trans	70	145.6	172.9	-175.5	0	0	0	0	115.1
265	E	24.1	Very low	27.7	Very low	143 Å²	143	124.9 Å²	124.9	67%	0.668	77%	0.774	S	S	*	*			cis	-168.7	169.5	-34.3	-160.7	-172.5	135.1	0	0	108.4
266	L	24.7	Very low	29.5	Very low	142 Å²	142	120.7 Å²	120.7	74%	0.743	77%	0.766	S	S	*	*			trans	70	143.8	165.1	-65.7	127.3	0	0	0	120.4
267	M	25.3	Very low	30.8	Very low	138 Å²	138	121.3 Å²	121.3	68%	0.68	76%	0.762	S	S	*	*			cis	-177.8	139.8	-41.2	-101.1	-100	-178.7	0	0	110.4
268	L	28.7	Very low	30.8	Very low	130 Å²	130	120.4 Å²	120.4	68%	0.681	75%	0.752	S	S	*	*			trans	66	166	148.2	-59.5	172.6	0	0	0	119
269	T	26.6	Very low	31	Very low	108 Å²	108	123.8 Å²	123.8	66%	0.663	75%	0.748	S	S	*	*			cis	-152.4	130	8	-16	0	0	0	0	112.2
270	H	30.9	Very low	30.8	Very low	164 Å²	164	127.9 Å²	127.9	76%	0.759	75%	0.747	S	S	*	*			trans	55.5	165.2	136.9	-74.4	-114.3	0	0	0	121.3
271	S	27.6	Very low	31	Very low	112 Å²	112	122.1 Å²	122.1	78%	0.783	73%	0.734	S	S	*	*			cis	-151.3	171.2	-1.2	-119.3	0	0	0	0	107.7
272	G	26.1	Very low	30.8	Very low	68 Å²	68	118.3 Å²	118.3	70%	0.701	72%	0.721	S	S	*	*			cis	174	164.2	1.3	0	0	0	0	0	110
273	V	30.7	Very low	30.7	Very low	124 Å²	124	126.4 Å²	126.4	75%	0.752	73%	0.73	S	S	*	*			trans	-133.2	157.3	-173.5	-170.4	0	0	0	0	110.4	T275	V273-T275 HydrophobicContact CG1-CG2 4.35Å
274	P	41.3	Very low	30.8	Very low	128 Å²	128	129 Å²	129	83%	0.831	73%	0.732	S	S	*	*				-139	164.4	128.8	31.5	-14.8	0	0	0	115.6
275	T	27.7	Very low	31.4	Very low	124 Å²	124	127.2 Å²	127.2	76%	0.761	72%	0.723	S	S	*	*			trans	-153.2	-167.6	-166.2	24.9	0	0	0	0	109.7	V273	V273-T275 HydrophobicContact CG1-CG2 4.35Å
276	P	62.8	Low	31.5	Very low	104 Å²	104	128.1 Å²	128.1	68%	0.675	73%	0.732	S	S	*	*			cis	-106.5	-77.6	-24.6	30.5	-13.6	0	0	0	110
277	P	52.5	Low	31.6	Very low	107 Å²	107	126 Å²	126	70%	0.695	73%	0.729	S	S	*	*				-74.9	168.2	-74.6	10	12	0	0	0	112.2
278	N	30.7	Very low	31.7	Very low	129 Å²	129	125.7 Å²	125.7	69%	0.69	74%	0.735	S	S	*	*			cis	-161.7	-164.9	-6	-113.2	14	0	0	0	107
279	Q	27	Very low	31.8	Very low	148 Å²	148	123.8 Å²	123.8	69%	0.692	74%	0.737	S	S	*	*			cis	-149.3	-136.7	12.6	-160.7	119.2	-22.3	0	0	113
280	E	24.5	Very low	32.1	Very low	158 Å²	158	129.5 Å²	129.5	74%	0.738	75%	0.747	S	S	*	*			trans	-110.2	166.7	-161.7	-69.8	158.4	118.9	0	0	113.4
281	A	30.6	Very low	32.1	Very low	80 Å²	80	129.2 Å²	129.2	66%	0.661	74%	0.743	S	S	*	*			cis	-172.4	143	-27.1	0	0	0	0	0	113.1
282	S	24.5	Very low	32.1	Very low	93 Å²	93	131.4 Å²	131.4	65%	0.65	74%	0.741	S	S	*	*			trans	74.2	151	132.6	67.7	0	0	0	0	125.6
283	W	25.4	Very low	32.2	Very low	240 Å²	240	132 Å²	132	91%	0.909	74%	0.739	S	S	*	*			trans	94.2	127	155.2	-57.3	112	0	0	0	123
284	T	28.3	Very low	32.1	Very low	124 Å²	124	134.7 Å²	134.7	76%	0.761	75%	0.746	S	S	*	*			trans	-120.1	158	158.8	59.1	0	0	0	0	107.2
285	P	38.5	Very low	31.8	Very low	107 Å²	107	135.5 Å²	135.5	70%	0.695	74%	0.743	S	S	*	*				-161.1	177.5	81.5	43.1	-21.8	0	0	0	118
286	L	27.1	Very low	31.8	Very low	163 Å²	163	137.9 Å²	137.9	85%	0.853	75%	0.75	S	S	*	*			trans	40.2	150.6	139.3	-65.5	166.9	0	0	0	121.9
287	S	26.9	Very low	30.4	Very low	96 Å²	96	140.3 Å²	140.3	67%	0.671	75%	0.75	S	S	*	*			cis	-179	-168.5	-5.1	52.2	0	0	0	0	111.8
288	V	27.6	Very low	29.1	Very low	133 Å²	133	144 Å²	144	81%	0.806	76%	0.759	S	S	*	*			trans	105.4	124	156.2	-169.8	0	0	0	0	121.1
289	A	31.5	Very low	29.2	Very low	89 Å²	89	143.7 Å²	143.7	74%	0.736	75%	0.753	S	S	*	*			trans	-13.5	172.3	153.1	0	0	0	0	0	124.1
290	R	31.5	Very low	29.3	Very low	229 Å²	229	144.5 Å²	144.5	86%	0.864	76%	0.761	S	S	*	*			cis	173.5	158.5	-22.8	-166.3	-170.5	-168.4	166.4	3.7	110.3
291	K	30.5	Very low	29.3	Very low	158 Å²	158	140.2 Å²	140.2	69%	0.687	76%	0.759	S	S	*	*			trans	85.5	124.1	157.9	-77.5	-177.7	156.4	-137.9	0	123.3
292	Q	29.5	Very low	29.2	Very low	158 Å²	158	146 Å²	146	74%	0.738	77%	0.769	S	S	*	*			trans	63.7	158.2	131.1	-60.6	179.3	-90	0	0	121.4
293	A	27.5	Very low	29.3	Very low	80 Å²	80	145.8 Å²	145.8	66%	0.661	77%	0.768	S	S	*	*			cis	-176.9	171.9	-30.3	0	0	0	0	0	111.4
294	M	29.3	Very low	29.4	Very low	181 Å²	181	141.6 Å²	141.6	89%	0.892	76%	0.763	S	S	*	*			trans	87.9	99.8	159.1	-50.8	-69.2	-89.1	0	0	122.3
295	D	34.4	Very low	29.4	Very low	145 Å²	145	140.7 Å²	140.7	78%	0.775	77%	0.768	S	S	*	*			trans	8.1	139	130.2	-160.4	3.9	0	0	0	124.1
296	L	26.7	Very low	29.1	Very low	173 Å²	173	142.9 Å²	142.9	91%	0.906	77%	0.774	S	S	*	*			trans	-162.8	171.2	137.6	-147.2	61.4	0	0	0	113.6
297	K	34.6	Very low	29.7	Very low	155 Å²	155	140.9 Å²	140.9	67%	0.674	77%	0.771	S	S	*	*			trans	-147.1	148.1	-154.4	179.9	-161.3	-174.7	-151.8	0	115.7	E299	K297-E299 WeakPolarHBondContact CE-OE1 3.26Å; K297-E299 IonicContact NZ-OE1 3.23Å; K297-E299 PolarHBondContact NZ-OE1 2.79Å
298	Q	25.5	Very low	29.9	Very low	186 Å²	186	144.2 Å²	144.2	87%	0.869	78%	0.776	S	S	*	*			trans	-160.2	124.5	163.1	-137.7	158.3	-8.4	0	0	108.6
299	E	32.6	Very low	30.7	Very low	121 Å²	121	143.3 Å²	143.3	57%	0.565	77%	0.773	S	S	*	*				71.9	130.7	52	-53.3	-63.1	175.4	0	0	113.3	K297	K297-E299 WeakPolarHBondContact CE-OE1 3.26Å; K297-E299 IonicContact NZ-OE1 3.23Å; K297-E299 PolarHBondContact NZ-OE1 2.79Å
300	L	27.5	Very low	30.4	Very low	166 Å²	166	142.7 Å²	142.7	87%	0.869	78%	0.775	S	S	*	*			cis	-167	159.6	4.4	173.3	63.7	0	0	0	111.4
301	G	24.7	Very low	30.4	Very low	68 Å²	68	136.1 Å²	136.1	70%	0.701	77%	0.77	S	S	*	*			trans	-175.8	162.2	171.9	0	0	0	0	0	117.8
302	K	29.1	Very low	30.3	Very low	201 Å²	201	136.2 Å²	136.2	87%	0.874	78%	0.778	S	S	*	*			trans	-137.4	169	-178.6	-133.5	91.5	175.8	-176.5	0	109.9
303	S	27.3	Very low	30.2	Very low	89 Å²	89	138.4 Å²	138.4	62%	0.622	79%	0.785	S	S	*	*			cis	-170.3	155.4	36.8	-122.3	0	0	0	0	115.1
304	D	27.9	Very low	30.7	Very low	151 Å²	151	140 Å²	140	81%	0.807	79%	0.788	S	S	*	*			trans	56.8	147.2	142.8	-57.8	-56.2	0	0	0	127.1
305	A	27.4	Very low	30.5	Very low	105 Å²	105	141.4 Å²	141.4	87%	0.868	78%	0.784	S	S	*	*			trans	92.9	132.6	149.4	0	0	0	0	0	123.3
306	D	31.2	Very low	30.3	Very low	154 Å²	154	140 Å²	140	82%	0.824	77%	0.774	S	S	*	*			trans	-101.6	155.5	163.5	-122.4	-38.3	0	0	0	108.3
307	P	40.9	Very low	30.4	Very low	120 Å²	120	139.6 Å²	139.6	78%	0.779	77%	0.767	S	S	*	*				-158.3	179.4	70.2	42.1	-20.6	0	0	0	119
308	E	31.2	Very low	30.2	Very low	167 Å²	167	135.5 Å²	135.5	78%	0.78	77%	0.77	S	S	*	*			trans	-55	171.7	157.1	-90.6	-85.9	133.5	0	0	114.4
309	P	44.7	Very low	31.1	Very low	114 Å²	114	132.4 Å²	132.4	74%	0.74	77%	0.766	S	S	*	*			cis	-135.8	-170.9	3.2	43	-26.2	0	0	0	115.5
310	G	24.8	Very low	31.1	Very low	76 Å²	76	133.9 Å²	133.9	78%	0.784	78%	0.783	S	S	*	*			trans	146.4	117.6	144.6	0	0	0	0	0	119.7
311	A	31.2	Very low	31.2	Very low	91 Å²	91	129.1 Å²	129.1	75%	0.752	77%	0.774	S	S	*	*			trans	-90.5	170	179.5	0	0	0	0	0	115.1
312	N	28.1	Very low	32.2	Very low	160 Å²	160	132.2 Å²	132.2	86%	0.856	78%	0.781	S	S	*	*				171.3	127	129.2	-95.4	-56	0	0	0	116
313	K	27.5	Very low	32.2	Very low	203 Å²	203	131 Å²	131	88%	0.883	78%	0.778	S	S	*	*				178	162.3	125.5	-97	-170.2	175.5	-179.3	0	111.8
314	P	37.2	Very low	32.4	Very low	113 Å²	113	133.2 Å²	133.2	73%	0.734	79%	0.788	S	S	*	*			trans	-126.6	158.1	-143	43.5	-31.9	0	0	0	118.8
315	R	26.4	Very low	32.4	Very low	211 Å²	211	132.3 Å²	132.3	80%	0.796	79%	0.788	S	S	*	*				31.6	132.2	125.9	-159.1	169.6	176	170.1	-0.9	118.5
316	M	29.6	Very low	32.6	Very low	115 Å²	115	138.3 Å²	138.3	57%	0.567	79%	0.788	S	S	*	*				-173.8	141.5	73.9	-171.6	68.1	144.9	0	0	113.6
317	E	28.8	Very low	32.4	Very low	165 Å²	165	137.9 Å²	137.9	77%	0.771	79%	0.791	S	S	*	*			trans	42.1	144.6	156.2	-67.2	157.1	178.3	0	0	121.8
318	G	30.1	Very low	31.7	Very low	70 Å²	70	135 Å²	135	72%	0.722	78%	0.783	S	S	*	*			cis	174.7	-170.7	1.2	0	0	0	0	0	111.1
319	P	45.6	Very low	31.5	Very low	121 Å²	121	134.2 Å²	134.2	79%	0.786	79%	0.789	S	S	*	*				-136.6	152.3	-71.1	38.9	-25.8	0	0	0	117.2
320	V	31.9	Very low	30.6	Very low	152 Å²	152	133.4 Å²	133.4	92%	0.921	79%	0.787	S	S	*	*			trans	61	145.7	145.1	177.4	0	0	0	0	118.9
321	G	28.8	Very low	30.9	Very low	66 Å²	66	137.3 Å²	137.3	68%	0.68	79%	0.788	S	S	*	*			cis	161.6	-168.8	3	0	0	0	0	0	108.7
322	P	46.3	Very low	30.8	Very low	133 Å²	133	137.7 Å²	137.7	86%	0.864	79%	0.785	S	S	*	*			cis	-131	178.4	-2.9	43.5	-27.7	0	0	0	115.5
323	E	29.3	Very low	30.9	Very low	174 Å²	174	138.1 Å²	138.1	81%	0.813	79%	0.787	S	S	*	*			trans	-150.4	168.3	166.4	-158.3	-161.5	148.2	0	0	109.1
324	V	31.6	Very low	31	Very low	136 Å²	136	134.3 Å²	134.3	82%	0.824	78%	0.781	S	S	*	*			trans	151.7	152.3	143.5	162.1	0	0	0	0	113.8
325	V	27.3	Very low	30.5	Very low	132 Å²	132	135 Å²	135	80%	0.8	78%	0.783	S	S	*	*			trans	-94.2	166.6	-169.3	171.2	0	0	0	0	114.4
326	R	32.8	Very low	30.5	Very low	232 Å²	232	131.5 Å²	131.5	88%	0.875	78%	0.78	S	S	*	*			trans	-82.5	127.7	-167.6	175.7	-167.2	-61	157.4	1.5	116.1
327	V	26.6	Very low	30.3	Very low	145 Å²	145	131.3 Å²	131.3	88%	0.879	79%	0.79	S	S	*	*			trans	-146.3	146.4	154.1	-176.4	0	0	0	0	107.2
328	G	26	Very low	30.2	Very low	60 Å²	60	126.9 Å²	126.9	62%	0.619	79%	0.788	S	S	*	*			cis	146.2	102.1	-6.7	0	0	0	0	0	111.7
329	T	27.1	Very low	30	Very low	149 Å²	149	131.6 Å²	131.6	91%	0.914	80%	0.797	S	S	*	*			trans	-149.4	159	-171.5	2.3	0	0	0	0	113.6
330	S	25.1	Very low	29.1	Very low	97 Å²	97	130.3 Å²	130.3	68%	0.678	80%	0.796	S	S	*	*			trans	-147.8	-178.6	-177.3	59.9	0	0	0	0	110.8
331	I	31	Very low	28.9	Very low	159 Å²	159	126.5 Å²	126.5	82%	0.815	79%	0.788	S	S	*	*			trans	74.7	135.7	172.8	-55.1	162.9	0	0	0	112.3
332	S	29.6	Very low	28.9	Very low	98 Å²	98	132.7 Å²	132.7	69%	0.685	80%	0.799	S	S	*	*			cis	-160.3	167.5	-5	45.7	0	0	0	0	111.2
333	N	31.4	Very low	28.2	Very low	169 Å²	169	130.1 Å²	130.1	90%	0.904	79%	0.79	S	S	*	*			trans	-128.3	112.4	166.5	-105.8	-15.5	0	0	0	110.8
334	V	28.6	Very low	28.3	Very low	124 Å²	124	126.9 Å²	126.9	75%	0.752	79%	0.786	S	S	*	*			trans	-147.7	107	175.6	178.2	0	0	0	0	112.7
335	V	27.1	Very low	28.4	Very low	127 Å²	127	125.9 Å²	125.9	77%	0.77	78%	0.776	S	S	*	*			trans	56.6	137.5	137	-177.4	0	0	0	0	122.9
336	N	26.1	Very low	28.5	Very low	137 Å²	137	129.4 Å²	129.4	73%	0.733	78%	0.777	S	S	*	*			trans	95.7	105	151.5	-97	-5.5	0	0	0	123.4
337	S	26.1	Very low	28.3	Very low	111 Å²	111	127.4 Å²	127.4	78%	0.776	77%	0.77	S	S	*	*				57.7	120.4	107	-53.9	0	0	0	0	122.8
338	G	25.6	Very low	28.7	Very low	72 Å²	72	130.5 Å²	130.5	74%	0.742	77%	0.766	S	S	*	*			trans	150.8	105.1	165.2	0	0	0	0	0	110.4
339	N	26.2	Very low	30.2	Very low	169 Å²	169	132.6 Å²	132.6	90%	0.904	77%	0.769	S	S	*	*				50.5	133.4	86.9	-82.9	8.7	0	0	0	115.5
340	A	27.6	Very low	30.3	Very low	94 Å²	94	132.8 Å²	132.8	78%	0.777	76%	0.764	S	S	*	*			cis	-167.2	168.3	-9.4	0	0	0	0	0	111.2
341	G	27.6	Very low	31	Very low	73 Å²	73	138.8 Å²	138.8	75%	0.753	77%	0.772	S	S	*	*			trans	94.1	149.8	168.7	0	0	0	0	0	115.8
342	E	28.9	Very low	31.3	Very low	195 Å²	195	143.4 Å²	143.4	91%	0.911	78%	0.779	S	S	*	*			cis	-159.1	165.6	-8.7	-146.6	-177	131.9	0	0	112
343	A	29.7	Very low	31.2	Very low	80 Å²	80	142.4 Å²	142.4	66%	0.661	78%	0.784	S	S	*	*			trans	55	103.3	153.9	0	0	0	0	0	122.1
344	S	32.6	Very low	31.5	Very low	105 Å²	105	139.9 Å²	139.9	73%	0.734	78%	0.78	S	S	*	*				14.6	141.2	102.3	-141.9	0	0	0	0	117.3
345	N	34	Very low	32.2	Very low	115 Å²	115	140.2 Å²	140.2	62%	0.615	78%	0.784	S	S	*	*			cis	-168.4	176	17	-146.8	-9.3	0	0	0	112.1
346	Y	29.8	Very low	32.6	Very low	207 Å²	207	145.5 Å²	145.5	81%	0.812	79%	0.791	S	S	*	*			trans	116.4	163.1	149.2	-64.6	-57.1	0	0	0	121.8
347	Y	28.2	Very low	34.4	Very low	189 Å²	189	143.9 Å²	143.9	74%	0.741	79%	0.787	S	S	*	*			trans	-133.2	126	-136.5	-134.1	-113	0	0	0	115.6
348	R	33.8	Very low	34.7	Very low	210 Å²	210	145 Å²	145	79%	0.792	79%	0.79	S	S	*	*			trans	61.2	179.1	142.9	-92.9	-170.1	-179.8	-176.3	2.9	120.3
349	P	58.1	Low	35.3	Very low	105 Å²	105	149 Å²	149	68%	0.682	79%	0.791	S	S	*	*			cis	-136.9	177.8	-33.1	36.8	-19.7	0	0	0	115.1
350	N	29.6	Very low	35.7	Very low	152 Å²	152	149.3 Å²	149.3	81%	0.813	79%	0.787	S	S	*	*				168.4	-176.8	103.1	-144.2	-14.9	0	0	0	115
351	R	39.9	Very low	36.7	Very low	223 Å²	223	151.2 Å²	151.2	84%	0.842	78%	0.784	S	S	*	*			trans	-120.3	161.4	-159.4	-59.8	161.5	153.5	174.3	-8.1	116.6
352	R	36.2	Very low	37.6	Very low	257 Å²	257	156.1 Å²	156.1	97%	0.97	79%	0.787	S	S	*	*				169.7	160.2	129.3	-93.1	161.6	-176.6	-176.1	1.8	110.1
353	G	28.6	Very low	38.5	Very low	76 Å²	76	155.8 Å²	155.8	78%	0.784	78%	0.783	S	S	*	*			cis	-175.9	179.4	-1.8	0	0	0	0	0	110.7
354	S	37.8	Very low	39.6	Very low	116 Å²	116	156.2 Å²	156.2	81%	0.811	77%	0.774	S	S	*	*			trans	-152.3	159.9	-175.4	61.7	0	0	0	0	115.2
355	P	43.4	Very low	40.8	Very low	131 Å²	131	157.5 Å²	157.5	85%	0.851	77%	0.771	S	S	*	*			trans	-141.9	-177.1	142.8	36.3	-18.8	0	0	0	116.2
356	R	34.8	Very low	41.9	Very low	239 Å²	239	157.6 Å²	157.6	90%	0.902	77%	0.771	S	S	*	*			trans	-156.7	179.9	-175.2	-126.7	-160.8	-172.2	178.8	2.9	107.7
357	P	64.7	Low	43.4	Very low	102 Å²	102	155.1 Å²	155.1	66%	0.662	77%	0.768	S	S	*	*				-123.4	-178.9	-56.7	39.1	-23.7	0	0	0	112.9
358	T	30.9	Very low	44.8	Very low	135 Å²	135	151.9 Å²	151.9	83%	0.828	76%	0.759	S	S	*	*			trans	178.4	111.6	133.7	41.9	0	0	0	0	115.2
359	M	38.6	Very low	46.1	Very low	155 Å²	155	146.3 Å²	146.3	76%	0.764	74%	0.744	S	S	*	*			trans	23.9	122.4	138.5	-54.5	-178.3	71.8	0	0	123.3
360	H	35.8	Very low	46.8	Very low	177 Å²	177	144.8 Å²	144.8	82%	0.819	73%	0.734	S	S	*	*				-159	164.9	101.6	-104.6	71.2	0	0	0	111
361	D	47.8	Very low	48.8	Very low	133 Å²	133	146.6 Å²	146.6	71%	0.711	73%	0.73	S	S	*	*			trans	-77.1	147.1	-153.9	-54.8	-61.6	0	0	0	117.6
362	H	46.3	Very low	50.4	Low	176 Å²	176	141.8 Å²	141.8	82%	0.815	72%	0.719	S	S	*	*			trans	-139.7	125.7	154	-163.6	71.2	0	0	0	109.1	D364	H362-D364 PolarHBondContact O-N 3.21Å
363	F	48.4	Very low	52.3	Low	189 Å²	189	133.8 Å²	133.8	83%	0.829	69%	0.694	S	S	*	*			trans	-79.8	98.8	179.2	-96.2	-93.2	0	0	0	110.3
364	D	51.6	Low	54.9	Low	89 Å²	89	133.9 Å²	133.9	48%	0.476	68%	0.679	S	S	.	*			trans	-84.4	117.4	176.4	-157.1	-40.2	0	0	0	111.4	H362 N366	H362-D364 PolarHBondContact O-N 3.21Å; D364-N366 PolarHBondContact O-N 3.16Å; D364-N366 WeakPolarHBondContact OD1-CB 3.18Å; D364-N366 PolarHBondContact OD1-N 2.94Å; D364-N366 PolarHBondContact OD1-ND2 3.42Å
365	I	58.7	Low	56.9	Low	132 Å²	132	133.2 Å²	133.2	68%	0.677	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-19.7	-176.8	-66.4	171.3	0	0	0	111.5	L369	I365-L369 HydrophobicContact CG2-CD1 4.31Å
366	N	57	Low	58.6	Low	116 Å²	116	132.2 Å²	132.2	62%	0.62	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-28.1	-171.3	-63.6	-67.4	0	0	0	114.4	D364 P370	D364-N366 PolarHBondContact O-N 3.16Å; D364-N366 WeakPolarHBondContact OD1-CB 3.18Å; D364-N366 PolarHBondContact OD1-N 2.94Å; D364-N366 PolarHBondContact OD1-ND2 3.42Å; N366-P370 WeakPolarHBondContact O-CD 3.38Å
367	E	60.8	Low	60.9	Low	156 Å²	156	125.8 Å²	125.8	73%	0.729	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-29	-179.9	-68.6	-155	142.6	0	0	113.4
368	H	57.4	Low	61.9	Low	121 Å²	121	125.6 Å²	125.6	56%	0.56	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-18.5	179.5	-70.9	-59.5	0	0	0	113.8	W371 M372	H368-W371 PolarHBondContact O-N 3.17Å; H368-M372 WeakPolarHBondContact O-CG 3.25Å; H368-M372 PolarHBondContact O-N 2.99Å
369	L	61.9	Low	64.4	Low	92 Å²	92	124.1 Å²	124.1	48%	0.482	62%	0.615	S	S	.	*	H	α-helix	trans	-54.4	-46.2	-179	-141.7	80.2	0	0	0	113.5	I365 W371 M372 I373	I365-L369 HydrophobicContact CG2-CD1 4.31Å; L369-W371 PolarHBondContact O-N 3.27Å; L369-M372 PolarHBondContact O-N 3.29Å; L369-I373 HydrophobicContact CG-CD1 4.42Å; L369-I373 WeakPolarHBondContact O-CD1 3.42Å; L369-I373 VanDerWaalsContact O-CG1 3.27Å; L369-I373 WeakPolarHBondContact O-CG1 3.36Å; L369-I373 PolarHBondContact O-N 2.88Å
370	P	73.1	Confident	66.7	Low	74 Å²	74	120.2 Å²	120.2	48%	0.481	60%	0.6	S	S	.	*	H	α-helix	trans	-62.7	-41.3	178.8	-22.3	34.4	0	0	0	112.7	N366 I373 V374	N366-P370 WeakPolarHBondContact O-CD 3.38Å; P370-I373 PolarHBondContact O-N 3.38Å; P370-V374 WeakPolarHBondContact O-CG2 3.48Å; P370-V374 PolarHBondContact O-N 3.48Å
371	W	71.4	Confident	68.8	Low	190 Å²	190	116.8 Å²	116.8	72%	0.72	59%	0.587	S	S	*	*	H	α-helix	trans	-66.8	-40	178.3	-70	98.9	0	0	0	112	H368 L369 V374 L375	H368-W371 PolarHBondContact O-N 3.17Å; L369-W371 PolarHBondContact O-N 3.27Å; W371-V374 PolarHBondContact O-N 2.79Å; W371-L375 WeakPolarHBondContact O-CB 3.24Å; W371-L375 PolarHBondContact O-N 2.69Å
372	M	72.6	Confident	70.6	Confident	122 Å²	122	114.5 Å²	114.5	60%	0.601	58%	0.578	S	S	*	*	H	α-helix	trans	-65.9	-36.9	174.8	-68.8	-62.1	-70.4	0	0	112.2	H368 L369 L375 L376	H368-M372 WeakPolarHBondContact O-CG 3.25Å; H368-M372 PolarHBondContact O-N 2.99Å; L369-M372 PolarHBondContact O-N 3.29Å; M372-L375 PolarHBondContact O-N 3.3Å; M372-L376 VanDerWaalsContact O-CB 3.3Å; M372-L376 WeakPolarHBondContact O-CB 3.37Å; M372-L376 PolarHBondContact O-N 3.1Å
373	I	76.9	Confident	72.5	Confident	89 Å²	89	110.1 Å²	110.1	46%	0.456	56%	0.563	S	S	.	*	H	α-helix	trans	-65.4	-45.4	173.7	-69	162.4	0	0	0	110.9	L369 P370 L375 L376 L377	L369-I373 HydrophobicContact CG-CD1 4.42Å; L369-I373 WeakPolarHBondContact O-CD1 3.42Å; L369-I373 VanDerWaalsContact O-CG1 3.27Å; L369-I373 WeakPolarHBondContact O-CG1 3.36Å; L369-I373 PolarHBondContact O-N 2.88Å; P370-I373 PolarHBondContact O-N 3.38Å; I373-L375 PolarHBondContact O-N 3.25Å; I373-L376 PolarHBondContact O-N 3.22Å; I373-L377 HydrophobicContact CG2-CD1 4.03Å; I373-L377 WeakPolarHBondContact O-CG 3.43Å; I373-L377 PolarHBondContact O-N 2.8Å
374	V	82.6	Confident	74	Confident	78 Å²	78	105.5 Å²	105.5	47%	0.473	55%	0.546	S	S	.	.	H	α-helix	trans	-62.8	-41.4	176.3	170.9	0	0	0	0	111.5	P370 W371 L377 L378	P370-V374 WeakPolarHBondContact O-CG2 3.48Å; P370-V374 PolarHBondContact O-N 3.48Å; W371-V374 PolarHBondContact O-N 2.79Å; V374-L377 PolarHBondContact O-N 3.4Å; V374-L378 HydrophobicContact CG1-CD1 4.15Å; V374-L378 WeakPolarHBondContact O-CG 3.07Å; V374-L378 PolarHBondContact O-N 3.16Å
375	L	80.6	Confident	75.5	Confident	101 Å²	101	105.5 Å²	105.5	53%	0.529	55%	0.549	S	S	.	.	H	α-helix	trans	-63.6	-40.6	176	-162	79.4	0	0	0	111.8	W371 M372 I373 L378 L379	W371-L375 WeakPolarHBondContact O-CB 3.24Å; W371-L375 PolarHBondContact O-N 2.69Å; M372-L375 PolarHBondContact O-N 3.3Å; I373-L375 PolarHBondContact O-N 3.25Å; L375-L378 PolarHBondContact O-N 3.3Å; L375-L379 PolarHBondContact O-N 3.02Å
376	L	78.4	Confident	76.5	Confident	111 Å²	111	103.2 Å²	103.2	58%	0.581	54%	0.541	S	S	*	.	H	α-helix	trans	-64.9	-43.8	176.1	-175.3	67	0	0	0	111.7	M372 I373 L379 V380	M372-L376 VanDerWaalsContact O-CB 3.3Å; M372-L376 WeakPolarHBondContact O-CB 3.37Å; M372-L376 PolarHBondContact O-N 3.1Å; I373-L376 PolarHBondContact O-N 3.22Å; L376-L379 WeakPolarHBondContact O-CB 3.28Å; L376-L379 PolarHBondContact O-N 3.43Å; L376-V380 WeakPolarHBondContact O-CG2 3.41Å; L376-V380 PolarHBondContact O-N 3.39Å
377	L	84.3	Confident	77.1	Confident	104 Å²	104	101.2 Å²	101.2	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-63.9	-39.9	176.5	-71	170.2	0	0	0	112	I373 V374 V380 L381	I373-L377 HydrophobicContact CG2-CD1 4.03Å; I373-L377 WeakPolarHBondContact O-CG 3.43Å; I373-L377 PolarHBondContact O-N 2.8Å; V374-L377 PolarHBondContact O-N 3.4Å; L377-V380 PolarHBondContact O-N 3.41Å; L377-L381 WeakPolarHBondContact O-CG 3.37Å; L377-L381 PolarHBondContact O-N 3.03Å
378	L	84.8	Confident	77.5	Confident	98 Å²	98	97 Å²	97	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-63.4	-43.4	172.7	-78.6	166.8	0	0	0	112	V374 L375 V380 L381 V382	V374-L378 HydrophobicContact CG1-CD1 4.15Å; V374-L378 WeakPolarHBondContact O-CG 3.07Å; V374-L378 PolarHBondContact O-N 3.16Å; L375-L378 PolarHBondContact O-N 3.3Å; L378-V380 PolarHBondContact O-N 2.88Å; L378-L381 PolarHBondContact O-N 3.01Å; L378-V382 WeakPolarHBondContact O-CG2 3.45Å; L378-V382 PolarHBondContact O-N 2.99Å
379	L	84.3	Confident	78.1	Confident	103 Å²	103	95.8 Å²	95.8	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-60.3	-44	174	-91	164.8	0	0	0	112.1	L375 L376 V382 V383	L375-L379 PolarHBondContact O-N 3.02Å; L376-L379 WeakPolarHBondContact O-CB 3.28Å; L376-L379 PolarHBondContact O-N 3.43Å; L379-V382 PolarHBondContact O-N 3.32Å; L379-V383 WeakPolarHBondContact O-CG2 3.46Å; L379-V383 PolarHBondContact O-N 2.9Å
380	V	85.4	Confident	78	Confident	73 Å²	73	97.1 Å²	97.1	44%	0.442	53%	0.526	S	S	.	.	H	α-helix	trans	-62.4	-43.4	176.3	169	0	0	0	0	111.2	L376 L377 L378 V383 I384	L376-V380 WeakPolarHBondContact O-CG2 3.41Å; L376-V380 PolarHBondContact O-N 3.39Å; L377-V380 PolarHBondContact O-N 3.41Å; L378-V380 PolarHBondContact O-N 2.88Å; V380-V383 PolarHBondContact O-N 3.26Å; V380-I384 HydrophobicContact CG1-CD1 3.78Å; V380-I384 HydrophobicContact CG1-CG1 4.45Å; V380-I384 VanDerWaalsContact O-CG1 3.29Å; V380-I384 WeakPolarHBondContact O-CG1 3.48Å; V380-I384 PolarHBondContact O-N 3.47Å
381	L	81.1	Confident	77.1	Confident	105 Å²	105	103.4 Å²	103.4	55%	0.55	54%	0.54	S	S	.	.	H	α-helix	trans	-62.2	-43.9	175.1	-76.4	169.1	0	0	0	112.3	L377 L378 V383 I384 V385	L377-L381 WeakPolarHBondContact O-CG 3.37Å; L377-L381 PolarHBondContact O-N 3.03Å; L378-L381 PolarHBondContact O-N 3.01Å; L381-V383 VanDerWaalsContact C-N 3.33Å; L381-V383 PolarHBondContact O-N 2.83Å; L381-I384 PolarHBondContact O-N 3.49Å; L381-V385 WeakPolarHBondContact O-CG2 3.1Å; L381-V385 PolarHBondContact O-N 2.92Å
382	V	85.9	Confident	76	Confident	85 Å²	85	98.2 Å²	98.2	52%	0.515	53%	0.533	S	S	.	.	H	α-helix	trans	-60.8	-43.1	174.6	170.4	0	0	0	0	110.8	L378 L379 V385 V386	L378-V382 WeakPolarHBondContact O-CG2 3.45Å; L378-V382 PolarHBondContact O-N 2.99Å; L379-V382 PolarHBondContact O-N 3.32Å; V382-V385 PolarHBondContact O-N 3.2Å; V382-V386 HydrophobicContact CG1-CG2 4.28Å; V382-V386 WeakPolarHBondContact O-CB 3.34Å; V382-V386 VanDerWaalsContact O-CG2 3.26Å; V382-V386 WeakPolarHBondContact O-CG2 3.49Å; V382-V386 PolarHBondContact O-N 3.25Å
383	V	85.3	Confident	75.1	Confident	84 Å²	84	95.6 Å²	95.6	51%	0.509	53%	0.527	S	S	.	.	H	α-helix	trans	-63.4	-40.7	175.5	169.9	0	0	0	0	111.6	L379 V380 L381 V386 C387	L379-V383 WeakPolarHBondContact O-CG2 3.46Å; L379-V383 PolarHBondContact O-N 2.9Å; V380-V383 PolarHBondContact O-N 3.26Å; L381-V383 VanDerWaalsContact C-N 3.33Å; L381-V383 PolarHBondContact O-N 2.83Å; V383-V386 PolarHBondContact O-N 3.13Å; V383-C387 WeakPolarHBondContact O-CB 3.38Å; V383-C387 PolarHBondContact O-N 2.95Å; V383-C387 PolarHBondContact O-SG 3Å
384	I	79.8	Confident	73.9	Confident	92 Å²	92	100.3 Å²	100.3	47%	0.472	54%	0.539	S	S	.	.	H	α-helix	trans	-63.6	-44.5	176.4	-70.8	164.5	0	0	0	111.1	V380 L381 C387 S388	V380-I384 HydrophobicContact CG1-CD1 3.78Å; V380-I384 HydrophobicContact CG1-CG1 4.45Å; V380-I384 VanDerWaalsContact O-CG1 3.29Å; V380-I384 WeakPolarHBondContact O-CG1 3.48Å; V380-I384 PolarHBondContact O-N 3.47Å; L381-I384 PolarHBondContact O-N 3.49Å; I384-C387 PolarHBondContact O-N 3.44Å; I384-S388 WeakPolarHBondContact O-CB 3.04Å; I384-S388 PolarHBondContact O-N 3.24Å; I384-S388 PolarHBondContact O-OG 3.48Å
385	V	83.3	Confident	72.3	Confident	90 Å²	90	102.5 Å²	102.5	55%	0.545	55%	0.552	S	S	.	*	H	α-helix	trans	-64.7	-47.9	176.9	172.5	0	0	0	0	110.8	L381 V382 C387 S388 V389	L381-V385 WeakPolarHBondContact O-CG2 3.1Å; L381-V385 PolarHBondContact O-N 2.92Å; V382-V385 PolarHBondContact O-N 3.2Å; V385-C387 PolarHBondContact O-N 3.26Å; V385-S388 PolarHBondContact O-N 3.47Å; V385-S388 VanDerWaalsContact O-N 3.15Å; V385-V389 WeakPolarHBondContact O-CG2 3.38Å; V385-V389 PolarHBondContact O-N 2.77Å
386	V	80.2	Confident	70.7	Confident	83 Å²	83	104.9 Å²	104.9	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-61.3	-42.2	177.1	169.6	0	0	0	0	111.2	V382 V383 K390	V382-V386 HydrophobicContact CG1-CG2 4.28Å; V382-V386 WeakPolarHBondContact O-CB 3.34Å; V382-V386 VanDerWaalsContact O-CG2 3.26Å; V382-V386 WeakPolarHBondContact O-CG2 3.49Å; V382-V386 PolarHBondContact O-N 3.25Å; V383-V386 PolarHBondContact O-N 3.13Å; V386-K390 WeakPolarHBondContact O-CB 3.43Å; V386-K390 PolarHBondContact O-N 3.16Å
387	C	69.5	Low	69.3	Low	75 Å²	75	108.5 Å²	108.5	51%	0.507	58%	0.575	S	S	.	*	H	α-helix	trans	-65.3	-36.6	174.8	-78.8	0	0	0	0	112.6	V383 I384 V385 K390 R391	V383-C387 WeakPolarHBondContact O-CB 3.38Å; V383-C387 PolarHBondContact O-N 2.95Å; V383-C387 PolarHBondContact O-SG 3Å; I384-C387 PolarHBondContact O-N 3.44Å; V385-C387 PolarHBondContact O-N 3.26Å; C387-K390 CarbonylContact O-C 3.54Å; C387-K390 PolarHBondContact O-N 3.03Å; C387-R391 VanDerWaalsContact O-CB 3.3Å; C387-R391 WeakPolarHBondContact O-CB 3.29Å; C387-R391 PolarHBondContact O-N 3.46Å
388	S	68.8	Low	67.5	Low	68 Å²	68	114 Å²	114	48%	0.476	60%	0.595	S	S	.	*	H	α-helix	trans	-67.2	-46.4	176.5	-59.8	0	0	0	0	111.5	I384 V385 K390 R391 S392	I384-S388 WeakPolarHBondContact O-CB 3.04Å; I384-S388 PolarHBondContact O-N 3.24Å; I384-S388 PolarHBondContact O-OG 3.48Å; V385-S388 PolarHBondContact O-N 3.47Å; V385-S388 VanDerWaalsContact O-N 3.15Å; S388-K390 VanDerWaalsContact C-N 3.33Å; S388-K390 PolarHBondContact O-N 3.21Å; S388-R391 PolarHBondContact O-N 2.89Å; S388-R391 VanDerWaalsContact O-N 3.16Å; S388-S392 PolarHBondContact O-N 3Å
389	V	69.8	Low	65.1	Low	94 Å²	94	112.6 Å²	112.6	57%	0.57	60%	0.604	S	S	*	*	H	α-helix	trans	-63.5	-38.4	173.1	175.5	0	0	0	0	111.1	V385 R391 S392 S393	V385-V389 WeakPolarHBondContact O-CG2 3.38Å; V385-V389 PolarHBondContact O-N 2.77Å; V389-R391 VanDerWaalsContact C-N 3.28Å; V389-R391 PolarHBondContact O-N 2.89Å; V389-S392 PolarHBondContact O-N 3.38Å; V389-S393 VanDerWaalsContact O-CB 3.31Å; V389-S393 WeakPolarHBondContact O-CB 3.29Å; V389-S393 PolarHBondContact O-N 3.26Å; V389-S393 PolarHBondContact O-OG 2.9Å
390	K	60.3	Low	62.9	Low	121 Å²	121	113.5 Å²	113.5	53%	0.526	62%	0.616	S	S	.	*	H	α-helix	trans	-77.1	-7.6	176.1	-163.9	169.8	-175	173.8	0	114	V386 C387 S388 S393 R394	V386-K390 WeakPolarHBondContact O-CB 3.43Å; V386-K390 PolarHBondContact O-N 3.16Å; C387-K390 CarbonylContact O-C 3.54Å; C387-K390 PolarHBondContact O-N 3.03Å; S388-K390 VanDerWaalsContact C-N 3.33Å; S388-K390 PolarHBondContact O-N 3.21Å; K390-S393 WeakPolarHBondContact CA-OG 3.06Å; K390-R394 WeakPolarHBondContact O-CG 3.42Å; K390-R394 PolarHBondContact O-NE 3.43Å
391	R	54.2	Low	61	Low	206 Å²	206	119 Å²	119	78%	0.777	64%	0.639	S	S	*	*	H	α-helix	trans	-91	-46.1	168	-169.4	174.4	-174.3	172.6	1.4	110	C387 S388 V389	C387-R391 VanDerWaalsContact O-CB 3.3Å; C387-R391 WeakPolarHBondContact O-CB 3.29Å; C387-R391 PolarHBondContact O-N 3.46Å; S388-R391 PolarHBondContact O-N 2.89Å; S388-R391 VanDerWaalsContact O-N 3.16Å; V389-R391 VanDerWaalsContact C-N 3.28Å; V389-R391 PolarHBondContact O-N 2.89Å
392	S	48.7	Very low	59	Low	80 Å²	80	122.2 Å²	122.2	56%	0.559	65%	0.651	S	S	*	*	H	α-helix	trans	-62.1	-51.1	175.8	-176.7	0	0	0	0	112.7	S388 V389 R394 V395	S388-S392 PolarHBondContact O-N 3Å; V389-S392 PolarHBondContact O-N 3.38Å; S392-R394 PolarHBondContact O-N 3.1Å; S392-R394 VanDerWaalsContact O-N 3.13Å; S392-V395 WeakPolarHBondContact O-CB 3.47Å; S392-V395 PolarHBondContact O-N 2.91Å
393	S	53.1	Low	56.5	Low	68 Å²	68	124.1 Å²	124.1	48%	0.476	66%	0.659	S	S	.	*	G	3₁₀ helix	trans	-64.5	-18.9	-177.9	53.5	0	0	0	0	115.2	V389 K390 V395	V389-S393 VanDerWaalsContact O-CB 3.31Å; V389-S393 WeakPolarHBondContact O-CB 3.29Å; V389-S393 PolarHBondContact O-N 3.26Å; V389-S393 PolarHBondContact O-OG 2.9Å; K390-S393 WeakPolarHBondContact CA-OG 3.06Å; S393-V395 VanDerWaalsContact C-N 3.28Å; S393-V395 PolarHBondContact O-N 3.3Å
394	R	52.4	Low	54.4	Low	188 Å²	188	125.6 Å²	125.6	71%	0.709	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-75.3	-14.1	174.2	-74.1	-171.2	-132.7	-159.3	7.6	113.7	K390 S392	K390-R394 WeakPolarHBondContact O-CG 3.42Å; K390-R394 PolarHBondContact O-NE 3.43Å; S392-R394 PolarHBondContact O-N 3.1Å; S392-R394 VanDerWaalsContact O-N 3.13Å
395	V	48.4	Very low	52.5	Low	123 Å²	123	126.4 Å²	126.4	75%	0.745	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-83.5	-18.9	-178.7	-176.2	0	0	0	0	112.3	S392 S393	S392-V395 WeakPolarHBondContact O-CB 3.47Å; S392-V395 PolarHBondContact O-N 2.91Å; S393-V395 VanDerWaalsContact C-N 3.28Å; S393-V395 PolarHBondContact O-N 3.3Å
396	L	46.6	Very low	50.4	Low	151 Å²	151	125 Å²	125	79%	0.791	68%	0.678	S	S	*	*	S	Bend	trans	-108.5	10.7	-169.7	-72.7	172.1	0	0	0	116
397	K	50.4	Low	48.7	Very low	187 Å²	187	126.9 Å²	126.9	81%	0.813	68%	0.684	S	S	*	*	S	Bend	trans	-141	79.4	176.1	-77.5	-168.3	173.3	179.8	0	114.3
398	K	44.4	Very low	47.4	Very low	221 Å²	221	131.2 Å²	131.2	96%	0.961	70%	0.699	S	S	*	*			trans	-173.8	112.1	140.1	-105.9	165.6	-176	-175.6	0	112
399	G	35.8	Very low	46.5	Very low	68 Å²	68	135.8 Å²	135.8	70%	0.701	71%	0.713	S	S	*	*			trans	-178.7	129.9	170.5	0	0	0	0	0	108.8
400	P	37.5	Very low	45.1	Very low	121 Å²	121	139.4 Å²	139.4	79%	0.786	72%	0.721	S	S	*	*			trans	-76.3	156.9	178.3	32.3	-34.6	0	0	0	111.3
401	M	46.4	Very low	44	Very low	190 Å²	190	137.5 Å²	137.5	94%	0.936	73%	0.728	S	S	*	*			trans	-70.7	138.1	169.9	-66.8	179.2	67.3	0	0	110.4
402	Q	37.4	Very low	43.4	Very low	171 Å²	171	133.8 Å²	133.8	80%	0.799	72%	0.722	S	S	*	*			trans	-143	154.1	167.6	-72.7	-166.8	-38.2	0	0	109.5
403	D	34.2	Very low	43	Very low	126 Å²	126	138.1 Å²	138.1	67%	0.674	73%	0.733	S	S	*	*			trans	-74.7	154.9	-162.9	-73.2	-69.2	0	0	0	116	S405	D403-S405 PolarHBondContact O-N 3.37Å; D403-S405 VanDerWaalsContact O-N 3.11Å
404	P	41.6	Very low	42	Very low	114 Å²	114	144 Å²	144	74%	0.74	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-69.7	-12.9	-166.3	-20.1	34.1	0	0	0	115.8
405	S	39	Very low	40.9	Very low	109 Å²	109	144.3 Å²	144.3	76%	0.762	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-82.8	-17.4	-168.9	49.5	0	0	0	0	115.2	D403	D403-S405 PolarHBondContact O-N 3.37Å; D403-S405 VanDerWaalsContact O-N 3.11Å
406	S	40.9	Very low	40	Very low	62 Å²	62	144.9 Å²	144.9	43%	0.434	76%	0.761	S	S	.	*	G	3₁₀ helix	trans	-93.1	-2.2	-174	68.8	0	0	0	0	115.5
407	I	44.1	Very low	39.6	Very low	122 Å²	122	143.3 Å²	143.3	63%	0.626	76%	0.762	S	S	*	*	H	α-helix	trans	-80.1	-28.3	-171.6	-66.2	176.6	0	0	0	112.3	E409	I407-E409 PolarHBondContact O-N 3.37Å
408	M	42.5	Very low	38.8	Very low	166 Å²	166	136.7 Å²	136.7	82%	0.818	75%	0.747	S	S	*	*	H	α-helix	trans	-71.9	-29.6	-175	-164.7	157.3	69	0	0	113.8
409	E	49.6	Very low	38.2	Very low	164 Å²	164	130.3 Å²	130.3	77%	0.766	73%	0.726	S	S	*	*	H	α-helix	trans	-82.7	-25.2	-178.9	-100	-174.5	148.1	0	0	114.5	I407	I407-E409 PolarHBondContact O-N 3.37Å
410	K	38.9	Very low	38.4	Very low	169 Å²	169	132.2 Å²	132.2	74%	0.735	73%	0.726	S	S	*	*	H	α-helix	trans	-97	-9.9	-174.6	-71.7	178.9	-179.5	170.7	0	114.6	I412	K410-I412 PolarHBondContact O-N 2.69Å
411	A	36.9	Very low	38.6	Very low	82 Å²	82	130.2 Å²	130.2	68%	0.678	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-66	-25.9	172	0	0	0	0	0	113.1	H413	A411-H413 VanDerWaalsContact C-N 3.31Å; A411-H413 PolarHBondContact O-N 3.31Å
412	I	42.8	Very low	38.6	Very low	127 Å²	127	127.2 Å²	127.2	65%	0.651	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-73.7	-18	-171.9	-61.2	174.2	0	0	0	113	K410	K410-I412 PolarHBondContact O-N 2.69Å
413	H	40.3	Very low	39	Very low	171 Å²	171	121.3 Å²	121.3	79%	0.792	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-122.2	17.2	-169.4	-71.1	-32.6	0	0	0	116.5	A411	A411-H413 VanDerWaalsContact C-N 3.31Å; A411-H413 PolarHBondContact O-N 3.31Å
414	K	31.8	Very low	39.9	Very low	192 Å²	192	121.1 Å²	121.1	84%	0.835	67%	0.666	S	S	*	*	S	Bend	trans	-121.7	54.2	174.3	-150.9	173.1	-178.3	177.7	0	116.2
415	K	30	Very low	40.5	Very low	195 Å²	195	120.3 Å²	120.3	85%	0.848	65%	0.653	S	S	*	*			trans	49.9	71.1	142.6	-159.9	177.3	-175.4	176.9	0	117
416	T	29.7	Very low	41.7	Very low	135 Å²	135	121.3 Å²	121.3	83%	0.828	64%	0.643	S	S	*	*			trans	-75.7	124.9	143.8	-55.4	0	0	0	0	107.7	G418	T416-G418 VanDerWaalsContact C-N 3.27Å; T416-G418 PolarHBondContact O-N 3.12Å
417	S	37.1	Very low	43.5	Very low	118 Å²	118	118.9 Å²	118.9	83%	0.825	63%	0.625	S	S	*	*	S	Bend	trans	-86.2	60.4	-176.6	58.5	0	0	0	0	112.8
418	G	33.5	Very low	45	Very low	48 Å²	48	115.2 Å²	115.2	50%	0.495	61%	0.606	S	S	.	*	S	Bend	trans	-132.7	129.2	165.5	0	0	0	0	0	108.5	T416	T416-G418 VanDerWaalsContact C-N 3.27Å; T416-G418 PolarHBondContact O-N 3.12Å
419	T	31.2	Very low	46.4	Very low	86 Å²	86	110.6 Å²	110.6	53%	0.528	58%	0.58	S	S	.	*			trans	-72	132.2	-178.7	40.3	0	0	0	0	110.2	T421 Q422	T419-T421 PolarHBondContact O-N 3.33Å; T419-T421 VanDerWaalsContact O-N 3.09Å; T419-Q422 PolarHBondContact O-N 2.69Å; T419-Q422 VanDerWaalsContact O-N 3.08Å
420	P	41.4	Very low	47.3	Very low	108 Å²	108	109.5 Å²	109.5	70%	0.701	57%	0.57	S	S	*	*	H	α-helix	trans	-67	-11	-179.8	26.6	-34.4	0	0	0	113.3
421	T	42	Very low	48.5	Very low	80 Å²	80	103.5 Å²	103.5	49%	0.491	54%	0.543	S	S	.	.	H	α-helix	trans	-67.9	-45	169.8	66.1	0	0	0	0	111.2	T419 A423 R424 E425	T419-T421 PolarHBondContact O-N 3.33Å; T419-T421 VanDerWaalsContact O-N 3.09Å; T421-A423 VanDerWaalsContact C-N 3.26Å; T421-A423 PolarHBondContact O-N 2.86Å; T421-R424 CarbonylContact O-C 3.51Å; T421-R424 WeakPolarHBondContact O-CA 3.31Å; T421-R424 PolarHBondContact O-N 3.01Å; T421-E425 WeakPolarHBondContact CB-OE1 3.48Å; T421-E425 WeakPolarHBondContact O-CG 3.42Å; T421-E425 PolarHBondContact O-N 2.03Å; T421-E425 PolarHBondContact OG1-OE1 3.02Å
422	Q	44.8	Very low	49.2	Very low	126 Å²	126	105.1 Å²	105.1	59%	0.589	55%	0.549	S	S	*	.	H	α-helix	trans	-63.7	-31.6	-176.4	-164.5	174.8	44.6	0	0	112.5	T419 E425 K426	T419-Q422 PolarHBondContact O-N 2.69Å; T419-Q422 VanDerWaalsContact O-N 3.08Å; Q422-E425 PolarHBondContact N-OE1 2.69Å; Q422-K426 PolarHBondContact O-N 2.81Å
423	A	47.3	Very low	49.7	Very low	47 Å²	47	103.8 Å²	103.8	39%	0.388	54%	0.543	S	S	.	.	H	α-helix	trans	-69.2	-32.4	171.5	0	0	0	0	0	112.9	T421	T421-A423 VanDerWaalsContact C-N 3.26Å; T421-A423 PolarHBondContact O-N 2.86Å
424	R	52.1	Low	50.4	Low	123 Å²	123	98.5 Å²	98.5	46%	0.464	54%	0.535	S	S	.	.	H	α-helix	trans	-80.5	-39.6	176.2	-74.2	-170.7	167.7	-177.2	-1	112.5	T421 K426 W427 I428	T421-R424 CarbonylContact O-C 3.51Å; T421-R424 WeakPolarHBondContact O-CA 3.31Å; T421-R424 PolarHBondContact O-N 3.01Å; R424-K426 PolarHBondContact O-N 3Å; R424-W427 PolarHBondContact O-N 3.39Å; R424-I428 WeakPolarHBondContact O-CG1 3.4Å; R424-I428 PolarHBondContact O-N 3.15Å
425	E	54.9	Low	51.8	Low	97 Å²	97	94.4 Å²	94.4	45%	0.453	52%	0.519	S	S	.	.	H	α-helix	trans	-52.4	-37.1	174.1	-70.9	153.4	-142.8	0	0	111.8	T421 Q422 W427 I428	T421-E425 WeakPolarHBondContact CB-OE1 3.48Å; T421-E425 WeakPolarHBondContact O-CG 3.42Å; T421-E425 PolarHBondContact O-N 2.03Å; T421-E425 PolarHBondContact OG1-OE1 3.02Å; Q422-E425 PolarHBondContact N-OE1 2.69Å; E425-W427 PolarHBondContact O-N 2.81Å; E425-I428 PolarHBondContact O-N 3.2Å
426	K	64.2	Low	53.7	Low	130 Å²	130	87 Å²	87	57%	0.565	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.5	176.5	-166.5	-175.9	-175.8	-173.3	0	115	Q422 R424 A494	Q422-K426 PolarHBondContact O-N 2.81Å; R424-K426 PolarHBondContact O-N 3Å; K426-A494 PolarHBondContact NZ-O 2.93Å
427	W	77.4	Confident	56.1	Low	11 Å²	11	82.4 Å²	82.4	4%	0.042	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	8.6	-174.8	-65.2	95.8	0	0	0	113.7	R424 E425 I439 L440 W487 T488 A494 N495 L496 L499	R424-W427 PolarHBondContact O-N 3.39Å; E425-W427 PolarHBondContact O-N 2.81Å; W427-I439 PolarHBondContact O-N 2.81Å; W427-L440 HydrophobicContact CB-CD1 4.06Å; W427-L440 HydrophobicContact CB-CG 4.01Å; W427-L440 HydrophobicContact CD2-CD1 3.98Å; W427-L440 HydrophobicContact CD2-CD2 3.86Å; W427-L440 HydrophobicContact CD2-CG 3.87Å; W427-L440 HydrophobicContact CE3-CD2 3.63Å; W427-L440 HydrophobicContact CE3-CG 3.97Å; W427-L440 HydrophobicContact CG-CD1 3.73Å; W427-L440 HydrophobicContact CG-CD2 4.42Å; W427-L440 HydrophobicContact CG-CG 3.9Å; W427-L440 HydrophobicContact CH2-CD2 4.32Å; W427-L440 HydrophobicContact CZ3-CD2 3.88Å; W427-W487 AromaticContact CH2-CH2 3.78Å; W427-W487 HydrophobicContact CH2-CH2 3.78Å; W427-W487 AromaticContact CH2-CZ3 3.7Å; W427-W487 HydrophobicContact CH2-CZ3 3.7Å; W427-W487 HydrophobicContact CZ2-CH2 4.08Å; W427-W487 AromaticContact CZ2-CZ3 3.89Å; W427-W487 HydrophobicContact CZ2-CZ3 3.89Å; W427-T488 HydrophobicContact CZ2-CG2 3.65Å; W427-A494 HydrophobicContact CZ2-CB 4.31Å; W427-N495 VanDerWaalsContact CH2-C 3.48Å; W427-L496 HydrophobicContact CZ3-CB 4.34Å; W427-L496 HydrophobicContact CZ3-CD1 3.97Å; W427-L499 HydrophobicContact CH2-CD2 4.35Å; W427-L499 HydrophobicContact CZ3-CD2 3.8Å
428	I	75.8	Confident	58.4	Low	44 Å²	44	77.8 Å²	77.8	23%	0.226	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	112.8	173.9	-62.9	164.3	0	0	0	108.2	R424 E425 Y430 V437 D438	R424-I428 WeakPolarHBondContact O-CG1 3.4Å; R424-I428 PolarHBondContact O-N 3.15Å; E425-I428 PolarHBondContact O-N 3.2Å; I428-Y430 HydrophobicContact CB-CE2 3.95Å; I428-Y430 HydrophobicContact CG2-CD1 4.33Å; I428-Y430 HydrophobicContact CG2-CD2 3.96Å; I428-Y430 HydrophobicContact CG2-CE1 3.96Å; I428-Y430 HydrophobicContact CG2-CE2 3.55Å; I428-Y430 HydrophobicContact CG2-CG 4.34Å; I428-Y430 WeakPolarHBondContact O-CD2 3.48Å; I428-V437 WeakPolarHBondContact CA-O 3.31Å; I428-D438 HydrophobicContact CG1-CB 4.39Å
429	Y	72.9	Confident	60.9	Low	69 Å²	69	76.1 Å²	76.1	27%	0.271	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	118.5	170.4	-170.1	-86.3	0	0	0	108.7	Y431 G436 V437 V518 M519	Y429-Y431 HydrophobicContact CD1-CD1 4.21Å; Y429-Y431 HydrophobicContact CD1-CE1 4.21Å; Y429-Y431 AromaticContact CE1-CD1 4Å; Y429-Y431 HydrophobicContact CE1-CD1 4Å; Y429-Y431 HydrophobicContact CE1-CE1 4.11Å; Y429-G436 CarbonylContact O-C 3.41Å; Y429-G436 WeakPolarHBondContact O-CA 3.21Å; Y429-V437 PolarHBondContact N-O 3.02Å; Y429-V437 PolarHBondContact O-N 3.16Å; Y429-V518 HydrophobicContact CD1-CG1 4.33Å; Y429-V518 WeakPolarHBondContact CD1-O 3.45Å; Y429-V518 VanDerWaalsContact CE1-O 3.26Å; Y429-V518 WeakPolarHBondContact CE1-O 3.48Å; Y429-V518 HydrophobicContact CG-CG1 4.42Å; Y429-M519 HydrophobicContact CD2-CG 4.11Å; Y429-M519 HydrophobicContact CE2-CB 4.26Å; Y429-M519 HydrophobicContact CE2-CG 4.04Å; Y429-M519 PolarHBondContact OH-O 3.33Å; Y429-M519 VanDerWaalsContact OH-O 3.13Å
430	Y	69.1	Low	63.5	Low	142 Å²	142	72.2 Å²	72.2	56%	0.557	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	118	179.4	-69.5	-88.6	0	0	0	110.4	I428	I428-Y430 HydrophobicContact CB-CE2 3.95Å; I428-Y430 HydrophobicContact CG2-CD1 4.33Å; I428-Y430 HydrophobicContact CG2-CD2 3.96Å; I428-Y430 HydrophobicContact CG2-CE1 3.96Å; I428-Y430 HydrophobicContact CG2-CE2 3.55Å; I428-Y430 HydrophobicContact CG2-CG 4.34Å; I428-Y430 WeakPolarHBondContact O-CD2 3.48Å
431	Y	63.4	Low	65.6	Low	43 Å²	43	72.5 Å²	72.5	17%	0.169	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-69	158.9	171.1	-68.9	-58.9	0	0	0	111.8	Y429 N433 G434 Q435 V437 V518 D521	Y429-Y431 HydrophobicContact CD1-CD1 4.21Å; Y429-Y431 HydrophobicContact CD1-CE1 4.21Å; Y429-Y431 AromaticContact CE1-CD1 4Å; Y429-Y431 HydrophobicContact CE1-CD1 4Å; Y429-Y431 HydrophobicContact CE1-CE1 4.11Å; Y431-N433 WeakPolarHBondContact CB-OD1 3.42Å; Y431-N433 PolarHBondContact O-N 3.09Å; Y431-G434 PolarHBondContact O-N 2.68Å; Y431-Q435 PolarHBondContact N-O 3.16Å; Y431-V437 HydrophobicContact CD2-CG2 4.25Å; Y431-V437 HydrophobicContact CE2-CG2 3.51Å; Y431-V518 WeakPolarHBondContact CE1-O 3.37Å; Y431-D521 VanDerWaalsContact CD1-OD1 3.28Å; Y431-D521 WeakPolarHBondContact CD1-OD1 3.23Å
432	S	52.1	Low	67.7	Low	116 Å²	116	70.1 Å²	70.1	81%	0.811	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-15.1	172.6	50.5	0	0	0	0	114.6
433	N	53.4	Low	69.7	Low	99 Å²	99	64.1 Å²	64.1	53%	0.529	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-3	173.6	72.7	11	0	0	0	114.8	Y431 Q435	Y431-N433 WeakPolarHBondContact CB-OD1 3.42Å; Y431-N433 PolarHBondContact O-N 3.09Å; N433-Q435 WeakPolarHBondContact OD1-CB 3.46Å; N433-Q435 PolarHBondContact OD1-N 3.02Å
434	G	54.7	Low	71.7	Confident	60 Å²	60	62 Å²	62	62%	0.619	32%	0.319	S	S	*	.	S	Bend	trans	87.8	-3	179.6	0	0	0	0	0	116.3	Y431	Y431-G434 PolarHBondContact O-N 2.68Å
435	Q	60.3	Low	73.3	Confident	106 Å²	106	59.1 Å²	59.1	50%	0.495	32%	0.322	S	S	.	.			trans	-79.3	132.6	169.2	-68.3	-174.3	-70.6	0	0	110.9	Y431 N433	Y431-Q435 PolarHBondContact N-O 3.16Å; N433-Q435 WeakPolarHBondContact OD1-CB 3.46Å; N433-Q435 PolarHBondContact OD1-N 3.02Å
436	G	71.2	Confident	74.6	Confident	39 Å²	39	57.5 Å²	57.5	40%	0.402	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.9	177.2	0	0	0	0	0	112.6	Y429	Y429-G436 CarbonylContact O-C 3.41Å; Y429-G436 WeakPolarHBondContact O-CA 3.21Å
437	V	78.9	Confident	75.4	Confident	38 Å²	38	51.5 Å²	51.5	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	116.8	174.8	177.2	0	0	0	0	110.2	I428 Y429 Y431 I439 L442 V518	I428-V437 WeakPolarHBondContact CA-O 3.31Å; Y429-V437 PolarHBondContact N-O 3.02Å; Y429-V437 PolarHBondContact O-N 3.16Å; Y431-V437 HydrophobicContact CD2-CG2 4.25Å; Y431-V437 HydrophobicContact CE2-CG2 3.51Å; V437-I439 PolarHBondContact O-N 3.49Å; V437-L442 HydrophobicContact CG1-CD1 4.08Å; V437-V518 HydrophobicContact CB-CG1 4.21Å; V437-V518 HydrophobicContact CG1-CG1 4.14Å
438	D	85.1	Confident	75.7	Confident	22 Å²	22	52.5 Å²	52.5	12%	0.118	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	106.2	170.6	-178.7	-29.8	0	0	0	109.6	I428 L440 K441 L442 Y481	I428-D438 HydrophobicContact CG1-CB 4.39Å; D438-L440 PolarHBondContact O-N 2.65Å; D438-L440 WeakPolarHBondContact OD1-CA 3.42Å; D438-L440 WeakPolarHBondContact OD1-CB 3.38Å; D438-L440 PolarHBondContact OD1-N 3.13Å; D438-K441 HydrophobicContact CB-CB 4.1Å; D438-K441 HydrophobicContact CB-CD 3.96Å; D438-K441 HydrophobicContact CB-CG 4.01Å; D438-K441 PolarHBondContact O-N 3.02Å; D438-K441 PolarHBondContact OD1-N 3.39Å; D438-K441 VanDerWaalsContact OD2-CE 3.31Å; D438-K441 WeakPolarHBondContact OD2-CE 3.3Å; D438-L442 PolarHBondContact O-N 3.41Å; D438-Y481 PolarHBondContact OD2-OH 2.95Å
439	I	86	Confident	75.9	Confident	13 Å²	13	56.1 Å²	56.1	7%	0.067	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-33.2	-176.1	-59.3	171.4	0	0	0	110.8	W427 V437 L442 V443 L496 I515	W427-I439 PolarHBondContact O-N 2.81Å; V437-I439 PolarHBondContact O-N 3.49Å; I439-L442 PolarHBondContact O-N 3.06Å; I439-V443 WeakPolarHBondContact O-CG2 3.34Å; I439-V443 PolarHBondContact O-N 3.15Å; I439-L496 HydrophobicContact CD1-CD2 4.36Å; I439-L496 HydrophobicContact CG2-CD1 3.91Å; I439-I515 HydrophobicContact CG2-CD1 4.43Å; I439-I515 HydrophobicContact CG2-CG1 4.24Å; I439-I515 HydrophobicContact CG2-CG2 4.37Å
440	L	86.8	Confident	76.4	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-71.1	-35.7	179.3	-58.8	177.1	0	0	0	111.3	W427 D438 A444 Y481 L484 Q485 T488 L499	W427-L440 HydrophobicContact CB-CD1 4.06Å; W427-L440 HydrophobicContact CB-CG 4.01Å; W427-L440 HydrophobicContact CD2-CD1 3.98Å; W427-L440 HydrophobicContact CD2-CD2 3.86Å; W427-L440 HydrophobicContact CD2-CG 3.87Å; W427-L440 HydrophobicContact CE3-CD2 3.63Å; W427-L440 HydrophobicContact CE3-CG 3.97Å; W427-L440 HydrophobicContact CG-CD1 3.73Å; W427-L440 HydrophobicContact CG-CD2 4.42Å; W427-L440 HydrophobicContact CG-CG 3.9Å; W427-L440 HydrophobicContact CH2-CD2 4.32Å; W427-L440 HydrophobicContact CZ3-CD2 3.88Å; D438-L440 PolarHBondContact O-N 2.65Å; D438-L440 WeakPolarHBondContact OD1-CA 3.42Å; D438-L440 WeakPolarHBondContact OD1-CB 3.38Å; D438-L440 PolarHBondContact OD1-N 3.13Å; L440-A444 WeakPolarHBondContact O-CB 3.24Å; L440-A444 PolarHBondContact O-N 3.46Å; L440-Y481 HydrophobicContact CB-CD2 4.08Å; L440-Y481 HydrophobicContact CB-CE2 4Å; L440-L484 HydrophobicContact CD2-CB 4.4Å; L440-Q485 HydrophobicContact CD1-CG 4.44Å; L440-T488 HydrophobicContact CD1-CG2 3.99Å; L440-L499 HydrophobicContact CD2-CD2 3.96Å
441	K	85.7	Confident	77.3	Confident	115 Å²	115	49.5 Å²	49.5	50%	0.5	30%	0.298	S	S	.	.	H	α-helix	trans	-65.6	-43.4	170.1	-71.6	-177.5	-168.5	174.3	0	112.1	D438 V443 A444 A445 Y481	D438-K441 HydrophobicContact CB-CB 4.1Å; D438-K441 HydrophobicContact CB-CD 3.96Å; D438-K441 HydrophobicContact CB-CG 4.01Å; D438-K441 PolarHBondContact O-N 3.02Å; D438-K441 PolarHBondContact OD1-N 3.39Å; D438-K441 VanDerWaalsContact OD2-CE 3.31Å; D438-K441 WeakPolarHBondContact OD2-CE 3.3Å; K441-V443 VanDerWaalsContact C-N 3.34Å; K441-V443 PolarHBondContact O-N 2.99Å; K441-A444 PolarHBondContact O-N 2.93Å; K441-A445 WeakPolarHBondContact O-CB 3.32Å; K441-A445 PolarHBondContact O-N 3.16Å; K441-Y481 HydrophobicContact CB-CD2 4.49Å; K441-Y481 HydrophobicContact CB-CE2 4.33Å; K441-Y481 HydrophobicContact CD-CE2 4.4Å; K441-Y481 VanDerWaalsContact CE-OH 3.26Å; K441-Y481 WeakPolarHBondContact CE-OH 3.04Å; K441-Y481 HydrophobicContact CG-CD2 3.75Å; K441-Y481 HydrophobicContact CG-CE1 4.39Å; K441-Y481 HydrophobicContact CG-CE2 3.32Å; K441-Y481 HydrophobicContact CG-CG 4.44Å
442	L	86.6	Confident	78.5	Confident	29 Å²	29	49.1 Å²	49.1	15%	0.152	30%	0.3	C	S	.	.	H	α-helix	trans	-58.4	-47.7	178.4	-177.3	153.5	0	0	0	110.7	V437 D438 I439 Q446 K514 I515 V518	V437-L442 HydrophobicContact CG1-CD1 4.08Å; D438-L442 PolarHBondContact O-N 3.41Å; I439-L442 PolarHBondContact O-N 3.06Å; L442-Q446 VanDerWaalsContact O-CG 3.29Å; L442-Q446 WeakPolarHBondContact O-CG 3.46Å; L442-Q446 PolarHBondContact O-N 3.39Å; L442-K514 HydrophobicContact CD2-CB 4.21Å; L442-I515 HydrophobicContact CD2-CG1 4.18Å; L442-V518 HydrophobicContact CD1-CG2 3.71Å
443	V	86.9	Confident	80.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-50.5	175.4	173	0	0	0	0	111	I439 K441 A445 Q446 V447 L484 L499 L503 V511 I515	I439-V443 WeakPolarHBondContact O-CG2 3.34Å; I439-V443 PolarHBondContact O-N 3.15Å; K441-V443 VanDerWaalsContact C-N 3.34Å; K441-V443 PolarHBondContact O-N 2.99Å; V443-A445 VanDerWaalsContact C-N 3.27Å; V443-A445 PolarHBondContact O-N 3.33Å; V443-Q446 PolarHBondContact O-N 2.97Å; V443-V447 HydrophobicContact CG1-CG2 3.68Å; V443-V447 WeakPolarHBondContact O-CB 3.26Å; V443-V447 WeakPolarHBondContact O-CG2 3.07Å; V443-V447 PolarHBondContact O-N 3.47Å; V443-L484 HydrophobicContact CB-CD1 4.36Å; V443-L484 HydrophobicContact CG1-CD1 3.97Å; V443-L499 HydrophobicContact CG2-CD2 4.2Å; V443-L503 HydrophobicContact CG1-CD2 4.39Å; V443-L503 HydrophobicContact CG2-CD1 4.34Å; V443-V511 HydrophobicContact CB-CG1 4.36Å; V443-V511 HydrophobicContact CG1-CG1 4.32Å; V443-V511 HydrophobicContact CG2-CG1 3.92Å; V443-I515 HydrophobicContact CG2-CD1 3.7Å; V443-I515 HydrophobicContact CG2-CG1 4.2Å
444	A	88	Confident	81.8	Confident	2 Å²	2	42.6 Å²	42.6	2%	0.017	26%	0.257	C	S	.	.	H	α-helix	trans	-57	-37.5	-178.8	0	0	0	0	0	113.6	L440 K441 Q446 H477 A480	L440-A444 WeakPolarHBondContact O-CB 3.24Å; L440-A444 PolarHBondContact O-N 3.46Å; K441-A444 PolarHBondContact O-N 2.93Å; A444-Q446 VanDerWaalsContact C-N 3.33Å; A444-Q446 PolarHBondContact O-N 3.49Å; A444-H477 WeakPolarHBondContact O-CB 3.14Å; A444-A480 HydrophobicContact CB-CB 3.79Å
445	A	85.3	Confident	83.4	Confident	64 Å²	64	39.9 Å²	39.9	53%	0.529	23%	0.227	S	C	.	.	H	α-helix	trans	-70.5	-23.5	177.5	0	0	0	0	0	114.1	K441 V443	K441-A445 WeakPolarHBondContact O-CB 3.32Å; K441-A445 PolarHBondContact O-N 3.16Å; V443-A445 VanDerWaalsContact C-N 3.27Å; V443-A445 PolarHBondContact O-N 3.33Å
446	Q	83.8	Confident	84.7	Confident	62 Å²	62	38.5 Å²	38.5	29%	0.29	22%	0.221	S	C	.	.	H	α-helix	trans	-101.2	-20.8	-176.5	-60.4	-62.9	-64.3	0	0	113.6	L442 V443 A444 R508 V511 K514	L442-Q446 VanDerWaalsContact O-CG 3.29Å; L442-Q446 WeakPolarHBondContact O-CG 3.46Å; L442-Q446 PolarHBondContact O-N 3.39Å; V443-Q446 PolarHBondContact O-N 2.97Å; A444-Q446 VanDerWaalsContact C-N 3.33Å; A444-Q446 PolarHBondContact O-N 3.49Å; Q446-R508 PolarHBondContact O-NH1 3.3Å; Q446-R508 PolarHBondContact O-NH2 3.38Å; Q446-V511 HydrophobicContact CB-CG1 4.4Å; Q446-V511 HydrophobicContact CB-CG2 3.88Å; Q446-K514 HydrophobicContact CG-CD 4.36Å
447	V	80.1	Confident	85.4	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-73.6	-38.4	-174.3	159.6	0	0	0	0	113.2	V443 Q450 W451 I454 L503 R508	V443-V447 HydrophobicContact CG1-CG2 3.68Å; V443-V447 WeakPolarHBondContact O-CB 3.26Å; V443-V447 WeakPolarHBondContact O-CG2 3.07Å; V443-V447 PolarHBondContact O-N 3.47Å; V447-Q450 HydrophobicContact CG1-CB 4.18Å; V447-W451 HydrophobicContact CG1-CB 3.84Å; V447-W451 VanDerWaalsContact CG1-N 3.26Å; V447-I454 HydrophobicContact CB-CD1 4.15Å; V447-I454 HydrophobicContact CG1-CD1 3.62Å; V447-I454 HydrophobicContact CG2-CD1 3.34Å; V447-L503 HydrophobicContact CG2-CD2 4.39Å; V447-R508 PolarHBondContact O-NH1 2.76Å
448	G	82.9	Confident	85.8	Confident	31 Å²	31	39 Å²	39	32%	0.32	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	63.3	-139.9	-175	0	0	0	0	0	112.1	Q450 W451	G448-Q450 PolarHBondContact O-N 2.81Å; G448-W451 VanDerWaalsContact O-CD1 3.32Å
449	N	81.4	Confident	85.6	Confident	120 Å²	120	38.6 Å²	38.6	64%	0.642	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-66.7	-16.2	-176.5	64.6	-13.2	0	0	0	115.1	W451	N449-W451 PolarHBondContact O-N 3.4Å; N449-W451 VanDerWaalsContact O-N 3.08Å
450	Q	83.5	Confident	85.4	Confident	65 Å²	65	44.8 Å²	44.8	30%	0.304	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-72.3	5.3	179.2	-64.2	-178.6	-40.3	0	0	114.1	V447 G448 V452 D453 I454 R508	V447-Q450 HydrophobicContact CG1-CB 4.18Å; G448-Q450 PolarHBondContact O-N 2.81Å; Q450-V452 PolarHBondContact O-N 3.38Å; Q450-D453 PolarHBondContact O-N 3.1Å; Q450-I454 PolarHBondContact O-N 3.47Å; Q450-R508 VanDerWaalsContact OE1-CD 3.28Å
451	W	87.4	Confident	85.2	Confident	8 Å²	8	45.2 Å²	45.2	3%	0.03	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-28.5	179.2	71.8	-99.5	0	0	0	112.9	V447 G448 N449 Y455 V466 F469 D476 R479 A480 A483	V447-W451 HydrophobicContact CG1-CB 3.84Å; V447-W451 VanDerWaalsContact CG1-N 3.26Å; G448-W451 VanDerWaalsContact O-CD1 3.32Å; N449-W451 PolarHBondContact O-N 3.4Å; N449-W451 VanDerWaalsContact O-N 3.08Å; W451-Y455 VanDerWaalsContact O-CB 3.23Å; W451-Y455 WeakPolarHBondContact O-CB 3.35Å; W451-Y455 PolarHBondContact O-N 2.81Å; W451-V466 HydrophobicContact CH2-CG1 3.94Å; W451-V466 HydrophobicContact CZ3-CG1 4.29Å; W451-F469 HydrophobicContact CH2-CB 3.75Å; W451-F469 HydrophobicContact CZ3-CB 3.93Å; W451-D476 PolarHBondContact NE1-OD1 2.83Å; W451-R479 HydrophobicContact CD2-CB 4.03Å; W451-R479 HydrophobicContact CG-CB 4.47Å; W451-R479 HydrophobicContact CH2-CB 4.39Å; W451-R479 HydrophobicContact CZ2-CB 3.79Å; W451-R479 HydrophobicContact CZ2-CG 4.26Å; W451-A480 HydrophobicContact CB-CB 3.44Å; W451-A480 VanDerWaalsContact CB-CB 3.44Å; W451-A480 HydrophobicContact CG-CB 4.06Å; W451-A483 HydrophobicContact CE3-CB 3.83Å; W451-A483 HydrophobicContact CZ3-CB 3.97Å
452	V	88.8	Confident	85.1	Confident	34 Å²	34	43.3 Å²	43.3	21%	0.206	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-51.4	175.7	176.2	0	0	0	0	110.5	Q450 I454 Y455 Q456 V466	Q450-V452 PolarHBondContact O-N 3.38Å; V452-I454 PolarHBondContact O-N 2.98Å; V452-Y455 PolarHBondContact O-N 3.4Å; V452-Q456 HydrophobicContact CG1-CG 4.5Å; V452-Q456 WeakPolarHBondContact O-CB 3.4Å; V452-Q456 WeakPolarHBondContact O-CG 3.49Å; V452-Q456 PolarHBondContact O-N 3.19Å; V452-V466 HydrophobicContact CB-CG1 4.33Å; V452-V466 HydrophobicContact CG1-CG1 3.7Å; V452-V466 HydrophobicContact CG1-CG2 4.36Å; V452-V466 HydrophobicContact CG2-CG1 3.87Å
453	D	86.6	Confident	84.8	Confident	75 Å²	75	49.9 Å²	49.9	40%	0.401	28%	0.283	S	S	.	.	H	α-helix	trans	-67.2	-39.8	-176.4	-50.7	-56.8	0	0	0	111.4	Q450 S457 L506	Q450-D453 PolarHBondContact O-N 3.1Å; D453-S457 VanDerWaalsContact O-CB 3.26Å; D453-S457 WeakPolarHBondContact O-CB 3.37Å; D453-S457 PolarHBondContact O-N 3.28Å; D453-L506 HydrophobicContact CB-CD1 3.94Å; D453-L506 HydrophobicContact CB-CD2 3.79Å
454	I	87.4	Confident	84.4	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-61.2	-49.2	173.9	-68.2	175.7	0	0	0	110.5	V447 Q450 V452 S457 L458 L484 L503 L506	V447-I454 HydrophobicContact CB-CD1 4.15Å; V447-I454 HydrophobicContact CG1-CD1 3.62Å; V447-I454 HydrophobicContact CG2-CD1 3.34Å; Q450-I454 PolarHBondContact O-N 3.47Å; V452-I454 PolarHBondContact O-N 2.98Å; I454-S457 PolarHBondContact O-N 2.91Å; I454-L458 HydrophobicContact CG2-CD1 3.6Å; I454-L458 HydrophobicContact CG2-CG 4.34Å; I454-L458 WeakPolarHBondContact O-CB 3.42Å; I454-L458 VanDerWaalsContact O-CG 3.29Å; I454-L458 WeakPolarHBondContact O-CG 3.47Å; I454-L458 PolarHBondContact O-N 3.02Å; I454-L484 HydrophobicContact CG2-CD2 4.15Å; I454-L503 HydrophobicContact CD1-CD2 3.69Å; I454-L506 HydrophobicContact CB-CD1 4.21Å; I454-L506 HydrophobicContact CG1-CD1 3.4Å
455	Y	87.9	Confident	84.1	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-67.8	-39.1	-177.5	178.1	-119.2	0	0	0	112.3	W451 V452 L458 A459 A461 V466 F469 A483 H486 W487	W451-Y455 VanDerWaalsContact O-CB 3.23Å; W451-Y455 WeakPolarHBondContact O-CB 3.35Å; W451-Y455 PolarHBondContact O-N 2.81Å; V452-Y455 PolarHBondContact O-N 3.4Å; Y455-L458 PolarHBondContact O-N 2.87Å; Y455-A459 HydrophobicContact CD2-CB 4.04Å; Y455-A459 HydrophobicContact CE2-CB 3.63Å; Y455-A459 WeakPolarHBondContact O-CB 3.3Å; Y455-A459 PolarHBondContact O-N 2.99Å; Y455-A461 HydrophobicContact CD1-CB 3.61Å; Y455-A461 HydrophobicContact CE1-CB 3.25Å; Y455-A461 HydrophobicContact CG-CB 4.37Å; Y455-V466 HydrophobicContact CD1-CG2 4.24Å; Y455-F469 HydrophobicContact CE1-CD2 4.06Å; Y455-F469 AromaticContact CE1-CE2 3.87Å; Y455-F469 HydrophobicContact CE1-CE2 3.87Å; Y455-F469 AromaticContact CZ-CE2 3.86Å; Y455-A483 HydrophobicContact CD1-CB 4.18Å; Y455-A483 HydrophobicContact CD2-CB 3.87Å; Y455-A483 VanDerWaalsContact CD2-O 3.31Å; Y455-A483 WeakPolarHBondContact CD2-O 3.15Å; Y455-A483 HydrophobicContact CE2-CB 4.41Å; Y455-A483 VanDerWaalsContact CE2-O 3.27Å; Y455-A483 WeakPolarHBondContact CE2-O 3.15Å; Y455-A483 HydrophobicContact CG-CB 3.77Å; Y455-H486 AromaticContact CZ-ND1 3.81Å; Y455-H486 PolarHBondContact OH-CE1 3.19Å; Y455-H486 PolarHBondContact OH-ND1 3.47Å; Y455-W487 HydrophobicContact CD2-CB 4.27Å; Y455-W487 HydrophobicContact CE2-CB 4.17Å
456	Q	88.1	Confident	84.1	Confident	78 Å²	78	60.1 Å²	60.1	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-60.3	-47.8	170.3	-72.4	-177.6	18.1	0	0	111.3	V452 L458 N460 V466	V452-Q456 HydrophobicContact CG1-CG 4.5Å; V452-Q456 WeakPolarHBondContact O-CB 3.4Å; V452-Q456 WeakPolarHBondContact O-CG 3.49Å; V452-Q456 PolarHBondContact O-N 3.19Å; Q456-L458 VanDerWaalsContact C-N 3.29Å; Q456-L458 PolarHBondContact O-N 3.44Å; Q456-N460 VanDerWaalsContact O-CA 3.24Å; Q456-N460 WeakPolarHBondContact O-CA 3.34Å; Q456-N460 PolarHBondContact O-N 3.4Å; Q456-V466 HydrophobicContact CG-CG2 4.09Å
457	S	86.7	Confident	84	Confident	65 Å²	65	59.2 Å²	59.2	46%	0.455	31%	0.314	S	S	.	.	H	α-helix	trans	-65.8	-25	179.3	-174.8	0	0	0	0	114.3	D453 I454	D453-S457 VanDerWaalsContact O-CB 3.26Å; D453-S457 WeakPolarHBondContact O-CB 3.37Å; D453-S457 PolarHBondContact O-N 3.28Å; I454-S457 PolarHBondContact O-N 2.91Å
458	L	86	Confident	84.1	Confident	23 Å²	23	62.1 Å²	62.1	12%	0.12	34%	0.338	C	S	.	.	H	α-helix	trans	-94.3	-39.3	-178.2	-74.3	174.6	0	0	0	113.7	I454 Y455 Q456 L484 W487 K498 L499 A502	I454-L458 HydrophobicContact CG2-CD1 3.6Å; I454-L458 HydrophobicContact CG2-CG 4.34Å; I454-L458 WeakPolarHBondContact O-CB 3.42Å; I454-L458 VanDerWaalsContact O-CG 3.29Å; I454-L458 WeakPolarHBondContact O-CG 3.47Å; I454-L458 PolarHBondContact O-N 3.02Å; Y455-L458 PolarHBondContact O-N 2.87Å; Q456-L458 VanDerWaalsContact C-N 3.29Å; Q456-L458 PolarHBondContact O-N 3.44Å; L458-L484 HydrophobicContact CD1-CD2 3.77Å; L458-W487 HydrophobicContact CB-CD2 4.02Å; L458-W487 HydrophobicContact CB-CG 3.99Å; L458-W487 HydrophobicContact CD1-CD2 4.06Å; L458-W487 HydrophobicContact CD1-CE3 3.97Å; L458-W487 HydrophobicContact CD1-CH2 4.42Å; L458-W487 HydrophobicContact CD1-CZ3 4.16Å; L458-W487 HydrophobicContact CD2-CH2 4.21Å; L458-W487 HydrophobicContact CD2-CZ2 3.86Å; L458-W487 HydrophobicContact CG-CD2 4.48Å; L458-W487 PolarHBondContact O-NE1 3.09Å; L458-K498 HydrophobicContact CD2-CB 4.37Å; L458-K498 WeakPolarHBondContact CD2-O 3.43Å; L458-L499 HydrophobicContact CD1-CD1 3.72Å; L458-A502 HydrophobicContact CD1-CB 4.46Å; L458-A502 HydrophobicContact CD2-CB 3.59Å; L458-A502 HydrophobicContact CG-CB 3.83Å
459	A	82.8	Confident	84	Confident	13 Å²	13	62 Å²	62	11%	0.107	33%	0.33	C	S	.	.	H	α-helix	trans	-108.1	-4.4	-172.5	0	0	0	0	0	114.3	Y455 A461 W487 R490	Y455-A459 HydrophobicContact CD2-CB 4.04Å; Y455-A459 HydrophobicContact CE2-CB 3.63Å; Y455-A459 WeakPolarHBondContact O-CB 3.3Å; Y455-A459 PolarHBondContact O-N 2.99Å; A459-A461 VanDerWaalsContact C-N 3.26Å; A459-A461 HydrophobicContact CB-CB 4.37Å; A459-A461 PolarHBondContact O-N 2.82Å; A459-W487 HydrophobicContact CB-CB 4.36Å; A459-R490 PolarHBondContact O-NE 3.18Å; A459-R490 PolarHBondContact O-NH2 3.47Å
460	N	81.3	Confident	83.8	Confident	142 Å²	142	58.2 Å²	58.2	76%	0.759	31%	0.312	S	S	*	.			trans	47.2	53.3	-164	-167.1	28.5	0	0	0	110.5	Q456 R490	Q456-N460 VanDerWaalsContact O-CA 3.24Å; Q456-N460 WeakPolarHBondContact O-CA 3.34Å; Q456-N460 PolarHBondContact O-N 3.4Å; N460-R490 PolarHBondContact O-NH2 3.05Å
461	A	81.6	Confident	83.3	Confident	12 Å²	12	62 Å²	62	10%	0.099	33%	0.334	C	S	.	.			trans	-77.6	139.9	-171.4	0	0	0	0	0	112	Y455 A459 V466	Y455-A461 HydrophobicContact CD1-CB 3.61Å; Y455-A461 HydrophobicContact CE1-CB 3.25Å; Y455-A461 HydrophobicContact CG-CB 4.37Å; A459-A461 VanDerWaalsContact C-N 3.26Å; A459-A461 HydrophobicContact CB-CB 4.37Å; A459-A461 PolarHBondContact O-N 2.82Å; A461-V466 HydrophobicContact CB-CG2 4.44Å
462	T	83.9	Confident	82.4	Confident	75 Å²	75	64.1 Å²	64.1	46%	0.46	36%	0.359	S	S	.	.			trans	-80.8	155	174.2	63.4	0	0	0	0	111.4	R464 E465 V466	T462-R464 PolarHBondContact O-N 3.43Å; T462-R464 VanDerWaalsContact O-N 3.08Å; T462-E465 WeakPolarHBondContact CB-OE2 3.48Å; T462-E465 PolarHBondContact N-OE2 2.97Å; T462-E465 WeakPolarHBondContact O-CB 3.39Å; T462-E465 PolarHBondContact O-N 3.16Å; T462-E465 WeakPolarHBondContact OG1-CG 3.01Å; T462-E465 PolarHBondContact OG1-OE2 3.18Å; T462-V466 PolarHBondContact O-N 3.01Å; T462-V466 VanDerWaalsContact O-N 3.1Å
463	E	79.9	Confident	81.9	Confident	168 Å²	168	67.5 Å²	67.5	79%	0.785	37%	0.369	S	S	*	.	H	α-helix	trans	-53.4	-32.9	178.4	-61.8	178.1	152.1	0	0	113.3	V466 A467	E463-V466 PolarHBondContact O-N 2.86Å; E463-A467 WeakPolarHBondContact O-CB 3.36Å; E463-A467 PolarHBondContact O-N 3.4Å
464	R	79.1	Confident	81.2	Confident	218 Å²	218	68.8 Å²	68.8	82%	0.823	38%	0.383	S	S	*	.	H	α-helix	trans	-67.6	-36.5	177.2	-55.9	-174.7	-162	164.4	6.5	112.6	T462 A468	T462-R464 PolarHBondContact O-N 3.43Å; T462-R464 VanDerWaalsContact O-N 3.08Å; R464-A468 PolarHBondContact O-N 3.24Å; R464-A468 VanDerWaalsContact O-N 3.14Å
465	E	82	Confident	81	Confident	51 Å²	51	69.7 Å²	69.7	24%	0.238	39%	0.39	C	S	.	.	H	α-helix	trans	-72.7	-40.1	177.4	-65.9	165.2	124	0	0	110.2	T462 A468 F469 R490	T462-E465 WeakPolarHBondContact CB-OE2 3.48Å; T462-E465 PolarHBondContact N-OE2 2.97Å; T462-E465 WeakPolarHBondContact O-CB 3.39Å; T462-E465 PolarHBondContact O-N 3.16Å; T462-E465 WeakPolarHBondContact OG1-CG 3.01Å; T462-E465 PolarHBondContact OG1-OE2 3.18Å; E465-A468 WeakPolarHBondContact O-CB 3.09Å; E465-A468 PolarHBondContact O-N 3.16Å; E465-F469 WeakPolarHBondContact O-CD2 3.2Å; E465-F469 PolarHBondContact O-N 3.34Å; E465-R490 IonicContact OE1-CZ 2.85Å; E465-R490 IonicContact OE1-NH1 2.81Å; E465-R490 PolarHBondContact OE1-NH1 2.68Å; E465-R490 IonicContact OE1-NH2 3.51Å; E465-R490 IonicContact OE2-NH1 2.7Å; E465-R490 IonicContact OE2-NH2 3.08Å
466	V	83.9	Confident	80.7	Confident	12 Å²	12	72.4 Å²	72.4	7%	0.073	40%	0.404	C	S	.	.	H	α-helix	trans	-59.3	-49.9	171.3	177.6	0	0	0	0	110.7	W451 V452 Y455 Q456 A461 T462 E463 A468 F469 S470	W451-V466 HydrophobicContact CH2-CG1 3.94Å; W451-V466 HydrophobicContact CZ3-CG1 4.29Å; V452-V466 HydrophobicContact CB-CG1 4.33Å; V452-V466 HydrophobicContact CG1-CG1 3.7Å; V452-V466 HydrophobicContact CG1-CG2 4.36Å; V452-V466 HydrophobicContact CG2-CG1 3.87Å; Y455-V466 HydrophobicContact CD1-CG2 4.24Å; Q456-V466 HydrophobicContact CG-CG2 4.09Å; A461-V466 HydrophobicContact CB-CG2 4.44Å; T462-V466 PolarHBondContact O-N 3.01Å; T462-V466 VanDerWaalsContact O-N 3.1Å; E463-V466 PolarHBondContact O-N 2.86Å; V466-A468 PolarHBondContact O-N 2.89Å; V466-F469 PolarHBondContact O-N 2.74Å; V466-F469 VanDerWaalsContact O-N 3.08Å; V466-S470 PolarHBondContact O-N 3.3Å; V466-S470 PolarHBondContact O-OG 2.75Å
467	A	82.1	Confident	80.5	Confident	42 Å²	42	73.8 Å²	73.8	35%	0.347	41%	0.411	S	S	.	.	H	α-helix	trans	-60.2	-31.8	-179.9	0	0	0	0	0	113.4	E463 S470 N471	E463-A467 WeakPolarHBondContact O-CB 3.36Å; E463-A467 PolarHBondContact O-N 3.4Å; A467-S470 PolarHBondContact O-N 3.28Å; A467-N471 PolarHBondContact O-N 3.28Å; A467-N471 PolarHBondContact O-ND2 3.43Å
468	A	81.8	Confident	80.4	Confident	66 Å²	66	74.2 Å²	74.2	55%	0.545	41%	0.406	S	S	.	.	H	α-helix	trans	-63.3	-40.3	174.8	0	0	0	0	0	112.3	R464 E465 V466	R464-A468 PolarHBondContact O-N 3.24Å; R464-A468 VanDerWaalsContact O-N 3.14Å; E465-A468 WeakPolarHBondContact O-CB 3.09Å; E465-A468 PolarHBondContact O-N 3.16Å; V466-A468 PolarHBondContact O-N 2.89Å
469	F	80.9	Confident	80.5	Confident	30 Å²	30	75.9 Å²	75.9	13%	0.132	41%	0.41	C	S	.	.	H	α-helix	trans	-74.3	-38.3	174.2	-62.5	-67.9	0	0	0	112.1	W451 Y455 E465 V466 N471 G472 Y473 A482 A483 H486	W451-F469 HydrophobicContact CH2-CB 3.75Å; W451-F469 HydrophobicContact CZ3-CB 3.93Å; Y455-F469 HydrophobicContact CE1-CD2 4.06Å; Y455-F469 AromaticContact CE1-CE2 3.87Å; Y455-F469 HydrophobicContact CE1-CE2 3.87Å; Y455-F469 AromaticContact CZ-CE2 3.86Å; E465-F469 WeakPolarHBondContact O-CD2 3.2Å; E465-F469 PolarHBondContact O-N 3.34Å; V466-F469 PolarHBondContact O-N 2.74Å; V466-F469 VanDerWaalsContact O-N 3.08Å; F469-N471 VanDerWaalsContact C-N 3.28Å; F469-N471 PolarHBondContact O-N 2.85Å; F469-G472 PolarHBondContact O-N 2.85Å; F469-Y473 HydrophobicContact CD1-CE2 4.24Å; F469-A482 HydrophobicContact CD1-CB 4.05Å; F469-A482 HydrophobicContact CE1-CB 4.37Å; F469-A483 HydrophobicContact CD2-CB 4.3Å; F469-A483 HydrophobicContact CG-CB 4.37Å; F469-H486 HydrophobicContact CE1-CB 4.24Å; F469-H486 HydrophobicContact CE2-CB 4.42Å; F469-H486 HydrophobicContact CZ-CB 3.62Å; F469-H486 AromaticContact CZ-CG 3.67Å; F469-H486 AromaticContact CZ-ND1 3.87Å
470	S	77.9	Confident	80.8	Confident	40 Å²	40	75.3 Å²	75.3	28%	0.28	41%	0.406	S	S	.	.	H	α-helix	trans	-57.4	-39.1	178.5	-60	0	0	0	0	113.4	V466 A467 R479	V466-S470 PolarHBondContact O-N 3.3Å; V466-S470 PolarHBondContact O-OG 2.75Å; A467-S470 PolarHBondContact O-N 3.28Å; S470-R479 PolarHBondContact O-NE 2.88Å; S470-R479 VanDerWaalsContact O-NE 3.17Å
471	N	74.2	Confident	81.1	Confident	144 Å²	144	70.4 Å²	70.4	77%	0.77	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-9.9	-175.1	-66.2	-19.7	0	0	0	114.4	A467 F469	A467-N471 PolarHBondContact O-N 3.28Å; A467-N471 PolarHBondContact O-ND2 3.43Å; F469-N471 VanDerWaalsContact C-N 3.28Å; F469-N471 PolarHBondContact O-N 2.85Å
472	G	67.4	Low	81.4	Confident	52 Å²	52	70.3 Å²	70.3	54%	0.536	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-11.5	-169.7	0	0	0	0	0	116.6	F469	F469-G472 PolarHBondContact O-N 2.85Å
473	Y	78.9	Confident	81.6	Confident	106 Å²	106	66.8 Å²	66.8	42%	0.416	36%	0.355	S	S	.	.			trans	-136	153.3	-168.4	-65	-82.2	0	0	0	113.1	F469 E478 R479 A482	F469-Y473 HydrophobicContact CD1-CE2 4.24Å; Y473-E478 HydrophobicContact CD1-CB 3.9Å; Y473-E478 HydrophobicContact CG-CB 4.12Å; Y473-R479 HydrophobicContact CD2-CG 4.46Å; Y473-R479 HydrophobicContact CG-CG 4.49Å; Y473-R479 PolarHBondContact O-NE 2.82Å; Y473-R479 PolarHBondContact O-NH2 2.89Å; Y473-A482 HydrophobicContact CD2-CB 4.22Å; Y473-A482 HydrophobicContact CE1-CB 4.24Å; Y473-A482 HydrophobicContact CE2-CB 3.52Å
474	S	72.3	Confident	82	Confident	101 Å²	101	59.1 Å²	59.1	71%	0.706	32%	0.319	S	S	*	.	S	Bend	trans	-82	-32.9	-170.5	75	0	0	0	0	113.2	E478	S474-E478 WeakPolarHBondContact CB-OE2 3.29Å; S474-E478 PolarHBondContact N-OE2 3.34Å; S474-E478 PolarHBondContact OG-OE2 2.91Å
475	S	82.8	Confident	82.4	Confident	23 Å²	23	50.4 Å²	50.4	16%	0.161	29%	0.288	C	S	.	.	S	Bend	trans	-125.3	155.3	-176.6	80.5	0	0	0	0	112.4	H477 E478 R479	S475-H477 VanDerWaalsContact C-N 3.26Å; S475-H477 PolarHBondContact O-N 3.32Å; S475-H477 PolarHBondContact OG-CD2 3.39Å; S475-H477 PolarHBondContact OG-CE1 3.25Å; S475-H477 VanDerWaalsContact OG-CG 3.26Å; S475-H477 PolarHBondContact OG-ND1 2.76Å; S475-H477 PolarHBondContact OG-NE2 3.08Å; S475-E478 PolarHBondContact N-OE2 2.87Å; S475-E478 PolarHBondContact O-N 3.02Å; S475-E478 VanDerWaalsContact OG-CG 3.31Å; S475-E478 WeakPolarHBondContact OG-CG 3.34Å; S475-E478 PolarHBondContact OG-N 2.98Å; S475-E478 VanDerWaalsContact OG-N 3.09Å; S475-R479 WeakPolarHBondContact O-CG 3.47Å; S475-R479 PolarHBondContact O-N 3.28Å; S475-R479 VanDerWaalsContact O-N 3.09Å
476	D	81.5	Confident	82.7	Confident	59 Å²	59	51.3 Å²	51.3	32%	0.316	29%	0.292	S	S	.	.	H	α-helix	trans	-68.2	-23.9	176.6	-70.9	-45.2	0	0	0	113.4	W451 R479 A480	W451-D476 PolarHBondContact NE1-OD1 2.83Å; D476-R479 WeakPolarHBondContact OD1-CD 3.33Å; D476-R479 IonicContact OD1-CZ 3.72Å; D476-R479 IonicContact OD1-NE 3.97Å; D476-R479 IonicContact OD1-NH1 2.75Å; D476-R479 PolarHBondContact OD1-NH1 2.81Å; D476-A480 VanDerWaalsContact O-CB 3.23Å; D476-A480 WeakPolarHBondContact O-CB 3.37Å; D476-A480 PolarHBondContact O-N 3.25Å
477	H	84.7	Confident	82.9	Confident	107 Å²	107	50.8 Å²	50.8	50%	0.495	29%	0.288	S	S	.	.	H	α-helix	trans	-74.5	-32.8	173.2	60.9	-108.1	0	0	0	112.3	A444 S475 Y481	A444-H477 WeakPolarHBondContact O-CB 3.14Å; S475-H477 VanDerWaalsContact C-N 3.26Å; S475-H477 PolarHBondContact O-N 3.32Å; S475-H477 PolarHBondContact OG-CD2 3.39Å; S475-H477 PolarHBondContact OG-CE1 3.25Å; S475-H477 VanDerWaalsContact OG-CG 3.26Å; S475-H477 PolarHBondContact OG-ND1 2.76Å; S475-H477 PolarHBondContact OG-NE2 3.08Å; H477-Y481 WeakPolarHBondContact O-CB 3.18Å; H477-Y481 PolarHBondContact O-N 3.41Å
478	E	84.3	Confident	83.1	Confident	75 Å²	75	50 Å²	50	35%	0.35	28%	0.28	S	S	.	.	H	α-helix	trans	-65.3	-46.1	170	-74.4	175.9	155.6	0	0	110.9	Y473 S474 S475 A480 Y481 A482	Y473-E478 HydrophobicContact CD1-CB 3.9Å; Y473-E478 HydrophobicContact CG-CB 4.12Å; S474-E478 WeakPolarHBondContact CB-OE2 3.29Å; S474-E478 PolarHBondContact N-OE2 3.34Å; S474-E478 PolarHBondContact OG-OE2 2.91Å; S475-E478 PolarHBondContact N-OE2 2.87Å; S475-E478 PolarHBondContact O-N 3.02Å; S475-E478 VanDerWaalsContact OG-CG 3.31Å; S475-E478 WeakPolarHBondContact OG-CG 3.34Å; S475-E478 PolarHBondContact OG-N 2.98Å; S475-E478 VanDerWaalsContact OG-N 3.09Å; E478-A480 PolarHBondContact O-N 3.33Å; E478-Y481 PolarHBondContact O-N 2.95Å; E478-A482 WeakPolarHBondContact O-CB 3.29Å; E478-A482 PolarHBondContact O-N 3.45Å
479	R	88	Confident	83.2	Confident	57 Å²	57	53.2 Å²	53.2	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-57.6	-48.1	175.6	-65.1	171.1	-173.6	145.6	6.5	111.4	W451 S470 Y473 S475 D476 Y481 A482 A483	W451-R479 HydrophobicContact CD2-CB 4.03Å; W451-R479 HydrophobicContact CG-CB 4.47Å; W451-R479 HydrophobicContact CH2-CB 4.39Å; W451-R479 HydrophobicContact CZ2-CB 3.79Å; W451-R479 HydrophobicContact CZ2-CG 4.26Å; S470-R479 PolarHBondContact O-NE 2.88Å; S470-R479 VanDerWaalsContact O-NE 3.17Å; Y473-R479 HydrophobicContact CD2-CG 4.46Å; Y473-R479 HydrophobicContact CG-CG 4.49Å; Y473-R479 PolarHBondContact O-NE 2.82Å; Y473-R479 PolarHBondContact O-NH2 2.89Å; S475-R479 WeakPolarHBondContact O-CG 3.47Å; S475-R479 PolarHBondContact O-N 3.28Å; S475-R479 VanDerWaalsContact O-N 3.09Å; D476-R479 WeakPolarHBondContact OD1-CD 3.33Å; D476-R479 IonicContact OD1-CZ 3.72Å; D476-R479 IonicContact OD1-NE 3.97Å; D476-R479 IonicContact OD1-NH1 2.75Å; D476-R479 PolarHBondContact OD1-NH1 2.81Å; R479-Y481 PolarHBondContact O-N 3.03Å; R479-A482 PolarHBondContact O-N 3.08Å; R479-A483 VanDerWaalsContact O-CB 3.27Å; R479-A483 WeakPolarHBondContact O-CB 3.5Å; R479-A483 PolarHBondContact O-N 2.72Å
480	A	88.1	Confident	83.2	Confident	2 Å²	2	57 Å²	57	2%	0.017	30%	0.3	C	S	.	.	H	α-helix	trans	-59.5	-46.5	178	0	0	0	0	0	112.4	A444 W451 D476 E478 L484	A444-A480 HydrophobicContact CB-CB 3.79Å; W451-A480 HydrophobicContact CB-CB 3.44Å; W451-A480 VanDerWaalsContact CB-CB 3.44Å; W451-A480 HydrophobicContact CG-CB 4.06Å; D476-A480 VanDerWaalsContact O-CB 3.23Å; D476-A480 WeakPolarHBondContact O-CB 3.37Å; D476-A480 PolarHBondContact O-N 3.25Å; E478-A480 PolarHBondContact O-N 3.33Å; A480-L484 WeakPolarHBondContact O-CB 3.4Å; A480-L484 VanDerWaalsContact O-CG 3.27Å; A480-L484 WeakPolarHBondContact O-CG 3.37Å; A480-L484 PolarHBondContact O-N 3.2Å
481	Y	88.4	Confident	83.4	Confident	38 Å²	38	57 Å²	57	15%	0.149	30%	0.296	C	S	.	.	H	α-helix	trans	-67.2	-42	179.7	-176.9	-118	0	0	0	111.9	D438 L440 K441 H477 E478 R479 L484 Q485	D438-Y481 PolarHBondContact OD2-OH 2.95Å; L440-Y481 HydrophobicContact CB-CD2 4.08Å; L440-Y481 HydrophobicContact CB-CE2 4Å; K441-Y481 HydrophobicContact CB-CD2 4.49Å; K441-Y481 HydrophobicContact CB-CE2 4.33Å; K441-Y481 HydrophobicContact CD-CE2 4.4Å; K441-Y481 VanDerWaalsContact CE-OH 3.26Å; K441-Y481 WeakPolarHBondContact CE-OH 3.04Å; K441-Y481 HydrophobicContact CG-CD2 3.75Å; K441-Y481 HydrophobicContact CG-CE1 4.39Å; K441-Y481 HydrophobicContact CG-CE2 3.32Å; K441-Y481 HydrophobicContact CG-CG 4.44Å; H477-Y481 WeakPolarHBondContact O-CB 3.18Å; H477-Y481 PolarHBondContact O-N 3.41Å; E478-Y481 PolarHBondContact O-N 2.95Å; R479-Y481 PolarHBondContact O-N 3.03Å; Y481-L484 PolarHBondContact O-N 3.48Å; Y481-Q485 HydrophobicContact CD2-CG 4.45Å; Y481-Q485 HydrophobicContact CE2-CG 4.22Å; Y481-Q485 WeakPolarHBondContact O-CB 3.37Å; Y481-Q485 WeakPolarHBondContact O-CG 3.39Å; Y481-Q485 PolarHBondContact O-N 2.98Å; Y481-Q485 PolarHBondContact OH-NE2 3.46Å
482	A	87.3	Confident	83.4	Confident	11 Å²	11	56 Å²	56	9%	0.091	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-44.4	176.2	0	0	0	0	0	112.3	F469 Y473 E478 R479 Q485 H486	F469-A482 HydrophobicContact CD1-CB 4.05Å; F469-A482 HydrophobicContact CE1-CB 4.37Å; Y473-A482 HydrophobicContact CD2-CB 4.22Å; Y473-A482 HydrophobicContact CE1-CB 4.24Å; Y473-A482 HydrophobicContact CE2-CB 3.52Å; E478-A482 WeakPolarHBondContact O-CB 3.29Å; E478-A482 PolarHBondContact O-N 3.45Å; R479-A482 PolarHBondContact O-N 3.08Å; A482-Q485 PolarHBondContact O-N 2.72Å; A482-H486 WeakPolarHBondContact O-CB 3.45Å; A482-H486 PolarHBondContact O-N 2.93Å
483	A	88.5	Confident	83.9	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-43.5	176.8	0	0	0	0	0	112.1	W451 Y455 F469 R479 H486 W487	W451-A483 HydrophobicContact CE3-CB 3.83Å; W451-A483 HydrophobicContact CZ3-CB 3.97Å; Y455-A483 HydrophobicContact CD1-CB 4.18Å; Y455-A483 HydrophobicContact CD2-CB 3.87Å; Y455-A483 VanDerWaalsContact CD2-O 3.31Å; Y455-A483 WeakPolarHBondContact CD2-O 3.15Å; Y455-A483 HydrophobicContact CE2-CB 4.41Å; Y455-A483 VanDerWaalsContact CE2-O 3.27Å; Y455-A483 WeakPolarHBondContact CE2-O 3.15Å; Y455-A483 HydrophobicContact CG-CB 3.77Å; F469-A483 HydrophobicContact CD2-CB 4.3Å; F469-A483 HydrophobicContact CG-CB 4.37Å; R479-A483 VanDerWaalsContact O-CB 3.27Å; R479-A483 WeakPolarHBondContact O-CB 3.5Å; R479-A483 PolarHBondContact O-N 2.72Å; A483-H486 PolarHBondContact O-N 2.97Å; A483-W487 PolarHBondContact O-N 3.28Å
484	L	88.9	Confident	84	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-42.7	174.2	-75	171.4	0	0	0	112	L440 V443 I454 L458 A480 Y481 H486 W487 T488 L499	L440-L484 HydrophobicContact CD2-CB 4.4Å; V443-L484 HydrophobicContact CB-CD1 4.36Å; V443-L484 HydrophobicContact CG1-CD1 3.97Å; I454-L484 HydrophobicContact CG2-CD2 4.15Å; L458-L484 HydrophobicContact CD1-CD2 3.77Å; A480-L484 WeakPolarHBondContact O-CB 3.4Å; A480-L484 VanDerWaalsContact O-CG 3.27Å; A480-L484 WeakPolarHBondContact O-CG 3.37Å; A480-L484 PolarHBondContact O-N 3.2Å; Y481-L484 PolarHBondContact O-N 3.48Å; L484-H486 PolarHBondContact O-N 3.44Å; L484-W487 HydrophobicContact CD2-CE3 4.22Å; L484-W487 WeakPolarHBondContact O-CB 3.1Å; L484-W487 PolarHBondContact O-N 3.34Å; L484-T488 WeakPolarHBondContact O-CG2 3.45Å; L484-T488 PolarHBondContact O-N 2.95Å; L484-L499 HydrophobicContact CD2-CD1 3.94Å
485	Q	87	Confident	84.6	Confident	36 Å²	36	48.8 Å²	48.8	17%	0.168	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-42.8	175	-74.2	-163.3	-28.1	0	0	111.8	L440 Y481 A482 W487 T488 I489	L440-Q485 HydrophobicContact CD1-CG 4.44Å; Y481-Q485 HydrophobicContact CD2-CG 4.45Å; Y481-Q485 HydrophobicContact CE2-CG 4.22Å; Y481-Q485 WeakPolarHBondContact O-CB 3.37Å; Y481-Q485 WeakPolarHBondContact O-CG 3.39Å; Y481-Q485 PolarHBondContact O-N 2.98Å; Y481-Q485 PolarHBondContact OH-NE2 3.46Å; A482-Q485 PolarHBondContact O-N 2.72Å; Q485-W487 VanDerWaalsContact C-N 3.35Å; Q485-W487 PolarHBondContact O-N 3.24Å; Q485-T488 PolarHBondContact O-N 2.04Å; Q485-T488 VanDerWaalsContact O-N 3.16Å; Q485-T488 PolarHBondContact O-OG1 3.11Å; Q485-I489 WeakPolarHBondContact O-CG1 3.24Å; Q485-I489 PolarHBondContact O-N 2.71Å
486	H	87.6	Confident	84.7	Confident	70 Å²	70	49.4 Å²	49.4	32%	0.324	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-40.8	174.8	-176.3	-108.2	0	0	0	112.5	Y455 F469 A482 A483 L484 T488 I489 R490	Y455-H486 AromaticContact CZ-ND1 3.81Å; Y455-H486 PolarHBondContact OH-CE1 3.19Å; Y455-H486 PolarHBondContact OH-ND1 3.47Å; F469-H486 HydrophobicContact CE1-CB 4.24Å; F469-H486 HydrophobicContact CE2-CB 4.42Å; F469-H486 HydrophobicContact CZ-CB 3.62Å; F469-H486 AromaticContact CZ-CG 3.67Å; F469-H486 AromaticContact CZ-ND1 3.87Å; A482-H486 WeakPolarHBondContact O-CB 3.45Å; A482-H486 PolarHBondContact O-N 2.93Å; A483-H486 PolarHBondContact O-N 2.97Å; L484-H486 PolarHBondContact O-N 3.44Å; H486-T488 PolarHBondContact O-N 2.99Å; H486-I489 PolarHBondContact O-N 2.92Å; H486-R490 WeakPolarHBondContact O-CB 3Å; H486-R490 PolarHBondContact O-N 3.01Å
487	W	88.7	Confident	84.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.6	-47.4	171.3	164.5	62.1	0	0	0	112	W427 Y455 L458 A459 A483 L484 Q485 I489 R490 D491 A494 K498 L499	W427-W487 AromaticContact CH2-CH2 3.78Å; W427-W487 HydrophobicContact CH2-CH2 3.78Å; W427-W487 AromaticContact CH2-CZ3 3.7Å; W427-W487 HydrophobicContact CH2-CZ3 3.7Å; W427-W487 HydrophobicContact CZ2-CH2 4.08Å; W427-W487 AromaticContact CZ2-CZ3 3.89Å; W427-W487 HydrophobicContact CZ2-CZ3 3.89Å; Y455-W487 HydrophobicContact CD2-CB 4.27Å; Y455-W487 HydrophobicContact CE2-CB 4.17Å; L458-W487 HydrophobicContact CB-CD2 4.02Å; L458-W487 HydrophobicContact CB-CG 3.99Å; L458-W487 HydrophobicContact CD1-CD2 4.06Å; L458-W487 HydrophobicContact CD1-CE3 3.97Å; L458-W487 HydrophobicContact CD1-CH2 4.42Å; L458-W487 HydrophobicContact CD1-CZ3 4.16Å; L458-W487 HydrophobicContact CD2-CH2 4.21Å; L458-W487 HydrophobicContact CD2-CZ2 3.86Å; L458-W487 HydrophobicContact CG-CD2 4.48Å; L458-W487 PolarHBondContact O-NE1 3.09Å; A459-W487 HydrophobicContact CB-CB 4.36Å; A483-W487 PolarHBondContact O-N 3.28Å; L484-W487 HydrophobicContact CD2-CE3 4.22Å; L484-W487 WeakPolarHBondContact O-CB 3.1Å; L484-W487 PolarHBondContact O-N 3.34Å; Q485-W487 VanDerWaalsContact C-N 3.35Å; Q485-W487 PolarHBondContact O-N 3.24Å; W487-I489 PolarHBondContact O-N 2.78Å; W487-R490 PolarHBondContact O-N 3.08Å; W487-R490 VanDerWaalsContact O-N 3.1Å; W487-D491 PolarHBondContact NE1-OD2 3.44Å; W487-D491 PolarHBondContact O-N 2.84Å; W487-A494 HydrophobicContact CD2-CB 4.35Å; W487-A494 HydrophobicContact CH2-CB 3.96Å; W487-A494 HydrophobicContact CZ2-CB 3.64Å; W487-A494 HydrophobicContact CZ3-CB 4.41Å; W487-K498 HydrophobicContact CH2-CB 4.32Å; W487-K498 HydrophobicContact CZ2-CB 3.95Å; W487-K498 HydrophobicContact CZ2-CD 4.25Å; W487-L499 HydrophobicContact CH2-CB 4.15Å; W487-L499 HydrophobicContact CZ3-CB 4.35Å
488	T	85.4	Confident	84.9	Confident	27 Å²	27	48.4 Å²	48.4	17%	0.166	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-17.5	-179.5	62.2	0	0	0	0	115	W427 L440 L484 Q485 H486 A494	W427-T488 HydrophobicContact CZ2-CG2 3.65Å; L440-T488 HydrophobicContact CD1-CG2 3.99Å; L484-T488 WeakPolarHBondContact O-CG2 3.45Å; L484-T488 PolarHBondContact O-N 2.95Å; Q485-T488 PolarHBondContact O-N 2.04Å; Q485-T488 VanDerWaalsContact O-N 3.16Å; Q485-T488 PolarHBondContact O-OG1 3.11Å; H486-T488 PolarHBondContact O-N 2.99Å; T488-A494 HydrophobicContact CG2-CB 4.26Å
489	I	84.9	Confident	85.1	Confident	133 Å²	133	44.8 Å²	44.8	68%	0.682	25%	0.246	S	C	*	.	H	α-helix	trans	-89.4	-33.6	173.6	-63.7	165.2	0	0	0	110.9	Q485 H486 W487	Q485-I489 WeakPolarHBondContact O-CG1 3.24Å; Q485-I489 PolarHBondContact O-N 2.71Å; H486-I489 PolarHBondContact O-N 2.92Å; W487-I489 PolarHBondContact O-N 2.78Å
490	R	81.4	Confident	85	Confident	110 Å²	110	44.2 Å²	44.2	42%	0.415	25%	0.247	S	C	.	.	H	α-helix	trans	-78.3	-37.1	-178.8	175	176.7	168.2	133.9	-23	113.5	A459 N460 E465 H486 W487	A459-R490 PolarHBondContact O-NE 3.18Å; A459-R490 PolarHBondContact O-NH2 3.47Å; N460-R490 PolarHBondContact O-NH2 3.05Å; E465-R490 IonicContact OE1-CZ 2.85Å; E465-R490 IonicContact OE1-NH1 2.81Å; E465-R490 PolarHBondContact OE1-NH1 2.68Å; E465-R490 IonicContact OE1-NH2 3.51Å; E465-R490 IonicContact OE2-NH1 2.7Å; E465-R490 IonicContact OE2-NH2 3.08Å; H486-R490 WeakPolarHBondContact O-CB 3Å; H486-R490 PolarHBondContact O-N 3.01Å; W487-R490 PolarHBondContact O-N 3.08Å; W487-R490 VanDerWaalsContact O-N 3.1Å
491	D	81	Confident	84.9	Confident	38 Å²	38	48 Å²	48	20%	0.203	27%	0.267	C	S	.	.			trans	-105.3	100.9	178	177.8	5.9	0	0	0	109.7	W487 G493 A494 K498	W487-D491 PolarHBondContact NE1-OD2 3.44Å; W487-D491 PolarHBondContact O-N 2.84Å; D491-G493 PolarHBondContact O-N 3.38Å; D491-G493 VanDerWaalsContact O-N 3.16Å; D491-G493 VanDerWaalsContact OD1-C 3.26Å; D491-G493 VanDerWaalsContact OD1-CA 3.25Å; D491-G493 WeakPolarHBondContact OD1-CA 3.44Å; D491-G493 PolarHBondContact OD1-N 2.68Å; D491-A494 HydrophobicContact CB-CB 4.18Å; D491-A494 WeakPolarHBondContact O-CB 3.49Å; D491-A494 PolarHBondContact O-N 2.77Å; D491-A494 PolarHBondContact OD1-N 2.88Å; D491-K498 VanDerWaalsContact CG-NZ 3.25Å; D491-K498 IonicContact OD1-NZ 2.67Å; D491-K498 PolarHBondContact OD1-NZ 3.39Å; D491-K498 IonicContact OD2-NZ 3.63Å; D491-K498 PolarHBondContact OD2-NZ 3.13Å
492	S	74.6	Confident	84.8	Confident	125 Å²	125	46.3 Å²	46.3	87%	0.874	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.7	176.4	55.1	0	0	0	0	113.2
493	G	77.5	Confident	84.9	Confident	35 Å²	35	45.8 Å²	45.8	36%	0.361	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	16	170.9	0	0	0	0	0	113.9	D491 N495 K498	D491-G493 PolarHBondContact O-N 3.38Å; D491-G493 VanDerWaalsContact O-N 3.16Å; D491-G493 VanDerWaalsContact OD1-C 3.26Å; D491-G493 VanDerWaalsContact OD1-CA 3.25Å; D491-G493 WeakPolarHBondContact OD1-CA 3.44Å; D491-G493 PolarHBondContact OD1-N 2.68Å; G493-N495 PolarHBondContact O-N 3.46Å; G493-K498 VanDerWaalsContact C-NZ 3.31Å; G493-K498 WeakPolarHBondContact O-CE 3.2Å; G493-K498 PolarHBondContact O-NZ 3.14Å
494	A	81.9	Confident	84.7	Confident	2 Å²	2	50.2 Å²	50.2	2%	0.017	28%	0.276	C	S	.	.			trans	-61.8	125.3	176	0	0	0	0	0	110.4	K426 W427 W487 T488 D491	K426-A494 PolarHBondContact NZ-O 2.93Å; W427-A494 HydrophobicContact CZ2-CB 4.31Å; W487-A494 HydrophobicContact CD2-CB 4.35Å; W487-A494 HydrophobicContact CH2-CB 3.96Å; W487-A494 HydrophobicContact CZ2-CB 3.64Å; W487-A494 HydrophobicContact CZ3-CB 4.41Å; T488-A494 HydrophobicContact CG2-CB 4.26Å; D491-A494 HydrophobicContact CB-CB 4.18Å; D491-A494 WeakPolarHBondContact O-CB 3.49Å; D491-A494 PolarHBondContact O-N 2.77Å; D491-A494 PolarHBondContact OD1-N 2.88Å
495	N	84.6	Confident	84.4	Confident	69 Å²	69	58.5 Å²	58.5	37%	0.369	31%	0.307	S	S	.	.			trans	-147.2	167.3	-178.4	69.1	19.3	0	0	0	110.7	W427 G493 A497 K498 L499	W427-N495 VanDerWaalsContact CH2-C 3.48Å; G493-N495 PolarHBondContact O-N 3.46Å; N495-A497 VanDerWaalsContact C-N 3.3Å; N495-A497 PolarHBondContact O-N 3.39Å; N495-A497 PolarHBondContact OD1-N 3.39Å; N495-K498 PolarHBondContact O-N 2.81Å; N495-K498 WeakPolarHBondContact OD1-CG 3.03Å; N495-K498 PolarHBondContact OD1-N 3.46Å; N495-L499 PolarHBondContact O-N 2.65Å
496	L	84.2	Confident	84.3	Confident	37 Å²	37	59.4 Å²	59.4	19%	0.194	31%	0.313	C	S	.	.	H	α-helix	trans	-64.6	-33.6	-176	-171.5	60.2	0	0	0	112.8	W427 I439 K498 L499 I500 I515 M519	W427-L496 HydrophobicContact CZ3-CB 4.34Å; W427-L496 HydrophobicContact CZ3-CD1 3.97Å; I439-L496 HydrophobicContact CD1-CD2 4.36Å; I439-L496 HydrophobicContact CG2-CD1 3.91Å; L496-K498 PolarHBondContact O-N 2.9Å; L496-L499 HydrophobicContact CD1-CD2 4.19Å; L496-L499 WeakPolarHBondContact O-CB 3.42Å; L496-L499 PolarHBondContact O-N 2.84Å; L496-L499 VanDerWaalsContact O-N 3.15Å; L496-I500 HydrophobicContact CD1-CD1 4.4Å; L496-I500 HydrophobicContact CD1-CG1 4.42Å; L496-I500 HydrophobicContact CD2-CD1 4.31Å; L496-I500 HydrophobicContact CG-CD1 3.83Å; L496-I500 HydrophobicContact CG-CG1 4.29Å; L496-I500 WeakPolarHBondContact O-CG1 3.29Å; L496-I500 PolarHBondContact O-N 3.05Å; L496-I515 HydrophobicContact CD1-CG2 4.15Å; L496-I515 HydrophobicContact CD2-CG2 4.09Å; L496-M519 HydrophobicContact CD2-CE 4.01Å; L496-M519 HydrophobicContact CD2-SD 3.42Å; L496-M519 WeakPolarHBondContact CD2-SD 3.2Å
497	A	83.8	Confident	84.1	Confident	65 Å²	65	66.4 Å²	66.4	54%	0.537	34%	0.336	S	S	.	.	H	α-helix	trans	-62.2	-38.7	177.4	0	0	0	0	0	112.8	N495 N501	N495-A497 VanDerWaalsContact C-N 3.3Å; N495-A497 PolarHBondContact O-N 3.39Å; N495-A497 PolarHBondContact OD1-N 3.39Å; A497-N501 VanDerWaalsContact O-CB 3.24Å; A497-N501 WeakPolarHBondContact O-CB 3.3Å; A497-N501 PolarHBondContact O-N 3.48Å
498	K	86.8	Confident	83.9	Confident	79 Å²	79	68.3 Å²	68.3	34%	0.343	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-44.1	171.8	-78.2	174.8	172.2	174.1	0	111.7	L458 W487 D491 G493 N495 L496 N501 A502	L458-K498 HydrophobicContact CD2-CB 4.37Å; L458-K498 WeakPolarHBondContact CD2-O 3.43Å; W487-K498 HydrophobicContact CH2-CB 4.32Å; W487-K498 HydrophobicContact CZ2-CB 3.95Å; W487-K498 HydrophobicContact CZ2-CD 4.25Å; D491-K498 VanDerWaalsContact CG-NZ 3.25Å; D491-K498 IonicContact OD1-NZ 2.67Å; D491-K498 PolarHBondContact OD1-NZ 3.39Å; D491-K498 IonicContact OD2-NZ 3.63Å; D491-K498 PolarHBondContact OD2-NZ 3.13Å; G493-K498 VanDerWaalsContact C-NZ 3.31Å; G493-K498 WeakPolarHBondContact O-CE 3.2Å; G493-K498 PolarHBondContact O-NZ 3.14Å; N495-K498 PolarHBondContact O-N 2.81Å; N495-K498 WeakPolarHBondContact OD1-CG 3.03Å; N495-K498 PolarHBondContact OD1-N 3.46Å; L496-K498 PolarHBondContact O-N 2.9Å; K498-N501 PolarHBondContact O-N 3.09Å; K498-A502 PolarHBondContact O-N 3.48Å
499	L	88.4	Confident	83.7	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-63.8	-46.4	179.1	-176.7	57.4	0	0	0	111.7	W427 L440 V443 L458 L484 W487 N495 L496 A502 L503	W427-L499 HydrophobicContact CH2-CD2 4.35Å; W427-L499 HydrophobicContact CZ3-CD2 3.8Å; L440-L499 HydrophobicContact CD2-CD2 3.96Å; V443-L499 HydrophobicContact CG2-CD2 4.2Å; L458-L499 HydrophobicContact CD1-CD1 3.72Å; L484-L499 HydrophobicContact CD2-CD1 3.94Å; W487-L499 HydrophobicContact CH2-CB 4.15Å; W487-L499 HydrophobicContact CZ3-CB 4.35Å; N495-L499 PolarHBondContact O-N 2.65Å; L496-L499 HydrophobicContact CD1-CD2 4.19Å; L496-L499 WeakPolarHBondContact O-CB 3.42Å; L496-L499 PolarHBondContact O-N 2.84Å; L496-L499 VanDerWaalsContact O-N 3.15Å; L499-A502 PolarHBondContact O-N 2.62Å; L499-L503 HydrophobicContact CG-CD1 4.34Å; L499-L503 WeakPolarHBondContact O-CG 3.41Å; L499-L503 PolarHBondContact O-N 2.9Å
500	I	86.8	Confident	83.6	Confident	45 Å²	45	68.8 Å²	68.8	23%	0.231	35%	0.346	C	S	.	.	H	α-helix	trans	-61	-44.3	175.5	-72.3	173.3	0	0	0	111.1	L496 A502 L503 H504 V512 I515	L496-I500 HydrophobicContact CD1-CD1 4.4Å; L496-I500 HydrophobicContact CD1-CG1 4.42Å; L496-I500 HydrophobicContact CD2-CD1 4.31Å; L496-I500 HydrophobicContact CG-CD1 3.83Å; L496-I500 HydrophobicContact CG-CG1 4.29Å; L496-I500 WeakPolarHBondContact O-CG1 3.29Å; L496-I500 PolarHBondContact O-N 3.05Å; I500-A502 PolarHBondContact O-N 2.78Å; I500-L503 PolarHBondContact O-N 3.45Å; I500-H504 PolarHBondContact O-CD2 2.84Å; I500-H504 VanDerWaalsContact O-CD2 3.26Å; I500-H504 PolarHBondContact O-N 3.45Å; I500-V512 HydrophobicContact CG1-CG1 4.42Å; I500-V512 HydrophobicContact CG2-CG1 3.93Å; I500-V512 HydrophobicContact CG2-CG2 4.32Å; I500-I515 HydrophobicContact CG1-CD1 4.46Å
501	N	86.1	Confident	83.8	Confident	81 Å²	81	63.6 Å²	63.6	43%	0.433	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-41	177.4	-166.7	-31.3	0	0	0	112.1	A497 K498 H504 R505	A497-N501 VanDerWaalsContact O-CB 3.24Å; A497-N501 WeakPolarHBondContact O-CB 3.3Å; A497-N501 PolarHBondContact O-N 3.48Å; K498-N501 PolarHBondContact O-N 3.09Å; N501-H504 PolarHBondContact O-N 2.94Å; N501-R505 VanDerWaalsContact O-CG 3.29Å; N501-R505 WeakPolarHBondContact O-CG 3.39Å; N501-R505 PolarHBondContact O-N 3.42Å; N501-R505 PolarHBondContact OD1-NE 3.16Å
502	A	86.5	Confident	84	Confident	3 Å²	3	62.6 Å²	62.6	3%	0.025	32%	0.321	C	S	.	.	H	α-helix	trans	-65.2	-42.6	173.7	0	0	0	0	0	112.6	L458 K498 L499 I500 R505 L506	L458-A502 HydrophobicContact CD1-CB 4.46Å; L458-A502 HydrophobicContact CD2-CB 3.59Å; L458-A502 HydrophobicContact CG-CB 3.83Å; K498-A502 PolarHBondContact O-N 3.48Å; L499-A502 PolarHBondContact O-N 2.62Å; I500-A502 PolarHBondContact O-N 2.78Å; A502-R505 PolarHBondContact O-N 2.98Å; A502-L506 PolarHBondContact O-N 2.81Å; A502-L506 VanDerWaalsContact O-N 3.14Å
503	L	87.8	Confident	84.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-42.4	175.8	-70.7	168	0	0	0	112.1	V443 V447 I454 L499 I500 L506 R507 R508 V511 V512 I515	V443-L503 HydrophobicContact CG1-CD2 4.39Å; V443-L503 HydrophobicContact CG2-CD1 4.34Å; V447-L503 HydrophobicContact CG2-CD2 4.39Å; I454-L503 HydrophobicContact CD1-CD2 3.69Å; L499-L503 HydrophobicContact CG-CD1 4.34Å; L499-L503 WeakPolarHBondContact O-CG 3.41Å; L499-L503 PolarHBondContact O-N 2.9Å; I500-L503 PolarHBondContact O-N 3.45Å; L503-L506 CarbonylContact O-C 3.6Å; L503-L506 PolarHBondContact O-N 3.43Å; L503-R507 PolarHBondContact O-N 2.74Å; L503-R507 VanDerWaalsContact O-N 3.11Å; L503-R508 HydrophobicContact CB-CB 4.47Å; L503-R508 HydrophobicContact CD2-CB 3.99Å; L503-R508 PolarHBondContact O-N 2.88Å; L503-V511 HydrophobicContact CD1-CB 4.35Å; L503-V511 HydrophobicContact CD1-CG1 4Å; L503-V511 HydrophobicContact CD2-CB 4.23Å; L503-V511 HydrophobicContact CD2-CG1 4.22Å; L503-V512 HydrophobicContact CB-CG2 3.56Å; L503-V512 HydrophobicContact CD1-CG2 4.06Å; L503-V512 HydrophobicContact CG-CG2 4.47Å; L503-I515 HydrophobicContact CD1-CD1 3.83Å
504	H	84.7	Confident	84.5	Confident	93 Å²	93	62.9 Å²	62.9	43%	0.431	30%	0.298	S	S	.	.	H	α-helix	trans	-61.9	-42.9	173.9	-84.8	-76.2	0	0	0	112.7	I500 N501 L506 R507	I500-H504 PolarHBondContact O-CD2 2.84Å; I500-H504 VanDerWaalsContact O-CD2 3.26Å; I500-H504 PolarHBondContact O-N 3.45Å; N501-H504 PolarHBondContact O-N 2.94Å; H504-L506 PolarHBondContact O-N 3.46Å; H504-R507 WeakPolarHBondContact O-CA 3.12Å; H504-R507 PolarHBondContact O-N 3.15Å
505	R	83.5	Confident	84.6	Confident	180 Å²	180	62.9 Å²	62.9	68%	0.679	30%	0.298	S	S	*	.	H	α-helix	trans	-59.3	-34.6	176.6	-74.9	168.1	-176.2	-88.8	-9.4	112.5	N501 A502 R507	N501-R505 VanDerWaalsContact O-CG 3.29Å; N501-R505 WeakPolarHBondContact O-CG 3.39Å; N501-R505 PolarHBondContact O-N 3.42Å; N501-R505 PolarHBondContact OD1-NE 3.16Å; A502-R505 PolarHBondContact O-N 2.98Å; R505-R507 VanDerWaalsContact C-N 3.3Å
506	L	83.9	Confident	84.5	Confident	55 Å²	55	63.5 Å²	63.5	29%	0.288	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	12.8	176.8	-64.5	164.9	0	0	0	112.9	D453 I454 A502 L503 H504 R508	D453-L506 HydrophobicContact CB-CD1 3.94Å; D453-L506 HydrophobicContact CB-CD2 3.79Å; I454-L506 HydrophobicContact CB-CD1 4.21Å; I454-L506 HydrophobicContact CG1-CD1 3.4Å; A502-L506 PolarHBondContact O-N 2.81Å; A502-L506 VanDerWaalsContact O-N 3.14Å; L503-L506 CarbonylContact O-C 3.6Å; L503-L506 PolarHBondContact O-N 3.43Å; H504-L506 PolarHBondContact O-N 3.46Å; L506-R508 PolarHBondContact O-N 3.48Å; L506-R508 VanDerWaalsContact O-N 3.13Å
507	R	83.9	Confident	84.1	Confident	217 Å²	217	64 Å²	64	82%	0.819	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	19.1	178.4	-57.5	-174.8	176.1	-161	-2.5	115.3	L503 H504 R505 I509	L503-R507 PolarHBondContact O-N 2.74Å; L503-R507 VanDerWaalsContact O-N 3.11Å; H504-R507 WeakPolarHBondContact O-CA 3.12Å; H504-R507 PolarHBondContact O-N 3.15Å; R505-R507 VanDerWaalsContact C-N 3.3Å; R507-I509 PolarHBondContact O-N 2.9Å
508	R	83.3	Confident	83.6	Confident	41 Å²	41	61.7 Å²	61.7	16%	0.155	28%	0.28	C	S	.	.			trans	-82.7	54.6	177	-65.2	-54.2	-60.7	-87.2	-1.2	112.5	Q446 V447 Q450 L503 L506 D510 V511 V512	Q446-R508 PolarHBondContact O-NH1 3.3Å; Q446-R508 PolarHBondContact O-NH2 3.38Å; V447-R508 PolarHBondContact O-NH1 2.76Å; Q450-R508 VanDerWaalsContact OE1-CD 3.28Å; L503-R508 HydrophobicContact CB-CB 4.47Å; L503-R508 HydrophobicContact CD2-CB 3.99Å; L503-R508 PolarHBondContact O-N 2.88Å; L506-R508 PolarHBondContact O-N 3.48Å; L506-R508 VanDerWaalsContact O-N 3.13Å; R508-D510 VanDerWaalsContact C-OD1 3.24Å; R508-D510 WeakPolarHBondContact CA-OD1 3.41Å; R508-D510 IonicContact CZ-OD1 3.45Å; R508-D510 IonicContact CZ-OD2 2.69Å; R508-D510 IonicContact NE-OD1 3.31Å; R508-D510 PolarHBondContact NE-OD1 2.86Å; R508-D510 IonicContact NE-OD2 3.22Å; R508-D510 PolarHBondContact NE-OD2 3.46Å; R508-D510 IonicContact NH2-OD1 3.76Å; R508-D510 IonicContact NH2-OD2 2.73Å; R508-D510 PolarHBondContact NH2-OD2 2.93Å; R508-D510 PolarHBondContact O-N 3.27Å; R508-V511 HydrophobicContact CB-CB 4.38Å; R508-V511 HydrophobicContact CB-CG2 4.08Å; R508-V511 PolarHBondContact O-N 2.93Å; R508-V511 VanDerWaalsContact O-N 3.08Å; R508-V512 PolarHBondContact O-N 3.33Å
509	I	82	Confident	82.9	Confident	101 Å²	101	61.8 Å²	61.8	52%	0.518	28%	0.283	S	S	.	.	H	α-helix	trans	-61.8	-31.6	176.6	-54.2	174.7	0	0	0	110	R507 V511 V512 E513	R507-I509 PolarHBondContact O-N 2.9Å; I509-V511 PolarHBondContact O-N 3.34Å; I509-V512 PolarHBondContact O-N 2.76Å; I509-E513 WeakPolarHBondContact O-CB 3.46Å; I509-E513 PolarHBondContact O-N 2.87Å
510	D	82.1	Confident	82	Confident	69 Å²	69	66.4 Å²	66.4	37%	0.369	31%	0.305	S	S	.	.	H	α-helix	trans	-57.9	-31	172.4	67.4	-58.6	0	0	0	114	R508 K514	R508-D510 VanDerWaalsContact C-OD1 3.24Å; R508-D510 WeakPolarHBondContact CA-OD1 3.41Å; R508-D510 IonicContact CZ-OD1 3.45Å; R508-D510 IonicContact CZ-OD2 2.69Å; R508-D510 IonicContact NE-OD1 3.31Å; R508-D510 PolarHBondContact NE-OD1 2.86Å; R508-D510 IonicContact NE-OD2 3.22Å; R508-D510 PolarHBondContact NE-OD2 3.46Å; R508-D510 IonicContact NH2-OD1 3.76Å; R508-D510 IonicContact NH2-OD2 2.73Å; R508-D510 PolarHBondContact NH2-OD2 2.93Å; R508-D510 PolarHBondContact O-N 3.27Å; D510-K514 WeakPolarHBondContact O-CG 3.18Å
511	V	85.6	Confident	80.1	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-86	-39.8	176.9	-173.9	0	0	0	0	110.5	V443 Q446 L503 R508 I509 E513 K514 I515	V443-V511 HydrophobicContact CB-CG1 4.36Å; V443-V511 HydrophobicContact CG1-CG1 4.32Å; V443-V511 HydrophobicContact CG2-CG1 3.92Å; Q446-V511 HydrophobicContact CB-CG1 4.4Å; Q446-V511 HydrophobicContact CB-CG2 3.88Å; L503-V511 HydrophobicContact CD1-CB 4.35Å; L503-V511 HydrophobicContact CD1-CG1 4Å; L503-V511 HydrophobicContact CD2-CB 4.23Å; L503-V511 HydrophobicContact CD2-CG1 4.22Å; R508-V511 HydrophobicContact CB-CB 4.38Å; R508-V511 HydrophobicContact CB-CG2 4.08Å; R508-V511 PolarHBondContact O-N 2.93Å; R508-V511 VanDerWaalsContact O-N 3.08Å; I509-V511 PolarHBondContact O-N 3.34Å; V511-E513 VanDerWaalsContact C-N 3.31Å; V511-E513 PolarHBondContact O-N 3.35Å; V511-K514 PolarHBondContact O-N 2.98Å; V511-I515 WeakPolarHBondContact O-CG1 3.38Å; V511-I515 PolarHBondContact O-N 3.39Å
512	V	85.4	Confident	77.9	Confident	17 Å²	17	69.5 Å²	69.5	10%	0.103	32%	0.321	C	S	.	.	H	α-helix	trans	-59.7	-43	174.3	179	0	0	0	0	111	I500 L503 R508 I509 K514 I515 R516	I500-V512 HydrophobicContact CG1-CG1 4.42Å; I500-V512 HydrophobicContact CG2-CG1 3.93Å; I500-V512 HydrophobicContact CG2-CG2 4.32Å; L503-V512 HydrophobicContact CB-CG2 3.56Å; L503-V512 HydrophobicContact CD1-CG2 4.06Å; L503-V512 HydrophobicContact CG-CG2 4.47Å; R508-V512 PolarHBondContact O-N 3.33Å; I509-V512 PolarHBondContact O-N 2.76Å; V512-K514 VanDerWaalsContact C-N 3.34Å; V512-K514 PolarHBondContact O-N 2.68Å; V512-I515 WeakPolarHBondContact O-CB 3.35Å; V512-I515 PolarHBondContact O-N 2.9Å; V512-I515 VanDerWaalsContact O-N 3.13Å; V512-R516 PolarHBondContact O-N 3.32Å
513	E	81.4	Confident	76.1	Confident	80 Å²	80	75.5 Å²	75.5	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-63.8	-38.5	178.7	-174	64.1	-179.9	0	0	111.8	I509 V511 I515 R516 C517	I509-E513 WeakPolarHBondContact O-CB 3.46Å; I509-E513 PolarHBondContact O-N 2.87Å; V511-E513 VanDerWaalsContact C-N 3.31Å; V511-E513 PolarHBondContact O-N 3.35Å; E513-I515 VanDerWaalsContact C-N 3.35Å; E513-I515 PolarHBondContact O-N 2.95Å; E513-R516 WeakPolarHBondContact O-CB 3.3Å; E513-R516 PolarHBondContact O-N 2.86Å; E513-R516 VanDerWaalsContact O-N 3.16Å; E513-R516 IonicContact OE1-CZ 3.01Å; E513-R516 IonicContact OE1-NE 2.69Å; E513-R516 PolarHBondContact OE1-NE 2.89Å; E513-R516 IonicContact OE1-NH2 3.31Å; E513-R516 PolarHBondContact OE1-NH2 2.81Å; E513-R516 IonicContact OE2-CZ 2.69Å; E513-R516 IonicContact OE2-NE 3.15Å; E513-R516 PolarHBondContact OE2-NE 2.88Å; E513-R516 IonicContact OE2-NH2 3.39Å; E513-C517 PolarHBondContact O-N 3.38Å; E513-C517 PolarHBondContact O-SG 2.89Å
514	K	81.4	Confident	73.8	Confident	86 Å²	86	83.8 Å²	83.8	37%	0.374	40%	0.399	S	S	.	.	H	α-helix	trans	-66.2	-34.4	173.2	-70.4	176.9	-169.3	-170.5	0	112.9	L442 Q446 D510 V511 V512 V518	L442-K514 HydrophobicContact CD2-CB 4.21Å; Q446-K514 HydrophobicContact CG-CD 4.36Å; D510-K514 WeakPolarHBondContact O-CG 3.18Å; V511-K514 PolarHBondContact O-N 2.98Å; V512-K514 VanDerWaalsContact C-N 3.34Å; V512-K514 PolarHBondContact O-N 2.68Å; K514-V518 WeakPolarHBondContact O-CG2 3.26Å; K514-V518 PolarHBondContact O-N 2.61Å
515	I	84.7	Confident	71.6	Confident	2 Å²	2	86 Å²	86	1%	0.01	41%	0.407	C	S	.	.	H	α-helix	trans	-64.8	-43.6	170.6	-62.4	166.6	0	0	0	109.8	I439 L442 V443 L496 I500 L503 V511 V512 E513 V518 M519	I439-I515 HydrophobicContact CG2-CD1 4.43Å; I439-I515 HydrophobicContact CG2-CG1 4.24Å; I439-I515 HydrophobicContact CG2-CG2 4.37Å; L442-I515 HydrophobicContact CD2-CG1 4.18Å; V443-I515 HydrophobicContact CG2-CD1 3.7Å; V443-I515 HydrophobicContact CG2-CG1 4.2Å; L496-I515 HydrophobicContact CD1-CG2 4.15Å; L496-I515 HydrophobicContact CD2-CG2 4.09Å; I500-I515 HydrophobicContact CG1-CD1 4.46Å; L503-I515 HydrophobicContact CD1-CD1 3.83Å; V511-I515 WeakPolarHBondContact O-CG1 3.38Å; V511-I515 PolarHBondContact O-N 3.39Å; V512-I515 WeakPolarHBondContact O-CB 3.35Å; V512-I515 PolarHBondContact O-N 2.9Å; V512-I515 VanDerWaalsContact O-N 3.13Å; E513-I515 VanDerWaalsContact C-N 3.35Å; E513-I515 PolarHBondContact O-N 2.95Å; I515-V518 WeakPolarHBondContact O-CB 3.3Å; I515-V518 PolarHBondContact O-N 2.97Å; I515-V518 VanDerWaalsContact O-N 3.15Å; I515-M519 HydrophobicContact CG2-SD 3.95Å; I515-M519 WeakPolarHBondContact O-CG 3.46Å; I515-M519 PolarHBondContact O-N 3.01Å
516	R	83.1	Confident	69.4	Low	83 Å²	83	80.9 Å²	80.9	31%	0.313	39%	0.394	S	S	.	.	H	α-helix	trans	-60.1	-49	178.7	-167.2	-179.5	75.7	83.5	5	111.7	V512 E513 V518 M519 E520	V512-R516 PolarHBondContact O-N 3.32Å; E513-R516 WeakPolarHBondContact O-CB 3.3Å; E513-R516 PolarHBondContact O-N 2.86Å; E513-R516 VanDerWaalsContact O-N 3.16Å; E513-R516 IonicContact OE1-CZ 3.01Å; E513-R516 IonicContact OE1-NE 2.69Å; E513-R516 PolarHBondContact OE1-NE 2.89Å; E513-R516 IonicContact OE1-NH2 3.31Å; E513-R516 PolarHBondContact OE1-NH2 2.81Å; E513-R516 IonicContact OE2-CZ 2.69Å; E513-R516 IonicContact OE2-NE 3.15Å; E513-R516 PolarHBondContact OE2-NE 2.88Å; E513-R516 IonicContact OE2-NH2 3.39Å; R516-V518 PolarHBondContact O-N 3.5Å; R516-M519 PolarHBondContact O-N 2.94Å; R516-E520 WeakPolarHBondContact CD-OE1 3.38Å; R516-E520 HydrophobicContact CG-CG 4.35Å; R516-E520 WeakPolarHBondContact CG-OE1 3.27Å; R516-E520 IonicContact CZ-OE1 3.46Å; R516-E520 IonicContact CZ-OE2 2.75Å; R516-E520 IonicContact NE-OE1 3.75Å; R516-E520 IonicContact NH1-OE1 3.49Å; R516-E520 PolarHBondContact NH1-OE1 3.23Å; R516-E520 IonicContact NH1-OE2 3.28Å; R516-E520 PolarHBondContact NH1-OE2 3.27Å; R516-E520 PolarHBondContact O-N 2.95Å
517	C	74.4	Confident	67.7	Low	48 Å²	48	81.3 Å²	81.3	32%	0.324	40%	0.395	S	S	.	.	H	α-helix	trans	-60.1	-28.5	175.3	-62.8	0	0	0	0	113.6	E513 M519	E513-C517 PolarHBondContact O-N 3.38Å; E513-C517 PolarHBondContact O-SG 2.89Å; C517-M519 VanDerWaalsContact C-N 3.32Å
518	V	74.5	Confident	65.6	Low	16 Å²	16	76.3 Å²	76.3	10%	0.097	39%	0.385	C	S	.	.	H	α-helix	trans	-73.8	-22.6	174.3	165.5	0	0	0	0	112.5	Y429 Y431 V437 L442 K514 I515 R516	Y429-V518 HydrophobicContact CD1-CG1 4.33Å; Y429-V518 WeakPolarHBondContact CD1-O 3.45Å; Y429-V518 VanDerWaalsContact CE1-O 3.26Å; Y429-V518 WeakPolarHBondContact CE1-O 3.48Å; Y429-V518 HydrophobicContact CG-CG1 4.42Å; Y431-V518 WeakPolarHBondContact CE1-O 3.37Å; V437-V518 HydrophobicContact CB-CG1 4.21Å; V437-V518 HydrophobicContact CG1-CG1 4.14Å; L442-V518 HydrophobicContact CD1-CG2 3.71Å; K514-V518 WeakPolarHBondContact O-CG2 3.26Å; K514-V518 PolarHBondContact O-N 2.61Å; I515-V518 WeakPolarHBondContact O-CB 3.3Å; I515-V518 PolarHBondContact O-N 2.97Å; I515-V518 VanDerWaalsContact O-N 3.15Å; R516-V518 PolarHBondContact O-N 3.5Å
519	M	70.6	Confident	63.6	Low	81 Å²	81	81.6 Å²	81.6	40%	0.399	41%	0.411	S	S	.	.	H	α-helix	trans	-100.5	-8.9	-175.1	-68.1	177.8	62.2	0	0	115.2	Y429 L496 I515 R516 C517	Y429-M519 HydrophobicContact CD2-CG 4.11Å; Y429-M519 HydrophobicContact CE2-CB 4.26Å; Y429-M519 HydrophobicContact CE2-CG 4.04Å; Y429-M519 PolarHBondContact OH-O 3.33Å; Y429-M519 VanDerWaalsContact OH-O 3.13Å; L496-M519 HydrophobicContact CD2-CE 4.01Å; L496-M519 HydrophobicContact CD2-SD 3.42Å; L496-M519 WeakPolarHBondContact CD2-SD 3.2Å; I515-M519 HydrophobicContact CG2-SD 3.95Å; I515-M519 WeakPolarHBondContact O-CG 3.46Å; I515-M519 PolarHBondContact O-N 3.01Å; R516-M519 PolarHBondContact O-N 2.94Å; C517-M519 VanDerWaalsContact C-N 3.32Å
520	E	71.1	Confident	61.8	Low	97 Å²	97	81.7 Å²	81.7	45%	0.453	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	4.3	-171.1	-72.8	-178	-176.7	0	0	115.2	R516 N522 R622	R516-E520 WeakPolarHBondContact CD-OE1 3.38Å; R516-E520 HydrophobicContact CG-CG 4.35Å; R516-E520 WeakPolarHBondContact CG-OE1 3.27Å; R516-E520 IonicContact CZ-OE1 3.46Å; R516-E520 IonicContact CZ-OE2 2.75Å; R516-E520 IonicContact NE-OE1 3.75Å; R516-E520 IonicContact NH1-OE1 3.49Å; R516-E520 PolarHBondContact NH1-OE1 3.23Å; R516-E520 IonicContact NH1-OE2 3.28Å; R516-E520 PolarHBondContact NH1-OE2 3.27Å; R516-E520 PolarHBondContact O-N 2.95Å; E520-N522 PolarHBondContact O-N 2.93Å; E520-R622 IonicContact OE1-NH2 2.7Å
521	D	45.9	Very low	59.5	Low	81 Å²	81	81.7 Å²	81.7	43%	0.433	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	56.2	171.3	-98.1	13.9	0	0	0	116.2	Y431 P523	Y431-D521 VanDerWaalsContact CD1-OD1 3.28Å; Y431-D521 WeakPolarHBondContact CD1-OD1 3.23Å; D521-P523 WeakPolarHBondContact O-CD 3.13Å
522	N	40	Very low	57	Low	109 Å²	109	87.3 Å²	87.3	58%	0.583	45%	0.45	S	S	*	.			trans	-97.3	111.4	167.8	-173.3	-6	0	0	0	111.9	E520 Q524	E520-N522 PolarHBondContact O-N 2.93Å; N522-Q524 PolarHBondContact O-N 3.28Å; N522-Q524 PolarHBondContact OD1-N 3.45Å
523	P	48.1	Very low	54.6	Low	130 Å²	130	92.9 Å²	92.9	84%	0.844	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	29.8	-175.2	33.9	-38.1	0	0	0	114.9	D521	D521-P523 WeakPolarHBondContact O-CD 3.13Å
524	Q	39.2	Very low	52.6	Low	174 Å²	174	94.8 Å²	94.8	81%	0.813	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	2	171.8	-84.5	-171.3	-24.6	0	0	114.3	N522 D526	N522-Q524 PolarHBondContact O-N 3.28Å; N522-Q524 PolarHBondContact OD1-N 3.45Å; Q524-D526 PolarHBondContact O-N 2.98Å
525	F	39.7	Very low	50	Low	138 Å²	138	96.5 Å²	96.5	61%	0.605	51%	0.514	S	S	*	.	S	Bend	trans	-82.9	115.6	172.2	-137.7	-87.4	0	0	0	111	I527 L530	F525-I527 PolarHBondContact O-N 2.93Å; F525-L530 HydrophobicContact CE1-CD1 4.46Å
526	D	37	Very low	47.3	Very low	73 Å²	73	103.5 Å²	103.5	39%	0.39	56%	0.556	S	S	.	*			trans	-77.8	89.3	-171.9	-171.3	9.5	0	0	0	112	Q524 N528 Q529	Q524-D526 PolarHBondContact O-N 2.98Å; D526-N528 PolarHBondContact O-N 2.9Å; D526-N528 WeakPolarHBondContact OD1-CB 3.39Å; D526-N528 PolarHBondContact OD1-N 3.48Å; D526-N528 PolarHBondContact OD1-ND2 3.37Å; D526-Q529 PolarHBondContact O-N 2.96Å; D526-Q529 PolarHBondContact OD2-NE2 3.04Å
527	I	48.2	Very low	44.7	Very low	64 Å²	64	104 Å²	104	33%	0.328	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-51.8	-26.2	-178.9	-67.7	170.7	0	0	0	112.4	F525 Q529 L530 T531	F525-I527 PolarHBondContact O-N 2.93Å; I527-Q529 PolarHBondContact O-N 2.68Å; I527-L530 PolarHBondContact O-N 3.39Å; I527-T531 HydrophobicContact CG2-CG2 4.44Å; I527-T531 PolarHBondContact O-N 3.38Å
528	N	40.3	Very low	42.7	Very low	112 Å²	112	111.2 Å²	111.2	60%	0.599	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-63	-22.9	179.6	-58	-66.1	0	0	0	113.8	D526 L530 T531 T532	D526-N528 PolarHBondContact O-N 2.9Å; D526-N528 WeakPolarHBondContact OD1-CB 3.39Å; D526-N528 PolarHBondContact OD1-N 3.48Å; D526-N528 PolarHBondContact OD1-ND2 3.37Å; N528-L530 VanDerWaalsContact C-N 3.35Å; N528-T531 WeakPolarHBondContact CA-OG1 3.03Å; N528-T531 PolarHBondContact O-OG1 3.48Å; N528-T532 PolarHBondContact O-OG1 2.92Å; N528-T532 VanDerWaalsContact O-OG1 3.06Å
529	Q	41.2	Very low	40.2	Very low	152 Å²	152	116 Å²	116	71%	0.71	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-82.2	-10.2	176.3	-61.1	-172	38.1	0	0	113.6	D526 I527	D526-Q529 PolarHBondContact O-N 2.96Å; D526-Q529 PolarHBondContact OD2-NE2 3.04Å; I527-Q529 PolarHBondContact O-N 2.68Å
530	L	43	Very low	38.1	Very low	104 Å²	104	120 Å²	120	55%	0.545	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.1	-16.5	173.3	-87.3	141.2	0	0	0	113	F525 I527 N528	F525-L530 HydrophobicContact CE1-CD1 4.46Å; I527-L530 PolarHBondContact O-N 3.39Å; N528-L530 VanDerWaalsContact C-N 3.35Å
531	T	34.8	Very low	35.9	Very low	69 Å²	69	120.6 Å²	120.6	42%	0.423	67%	0.673	S	S	.	*	S	Bend	trans	-91.7	-10.6	-179.3	48.1	0	0	0	0	114.5	I527 N528 T533 V534	I527-T531 HydrophobicContact CG2-CG2 4.44Å; I527-T531 PolarHBondContact O-N 3.38Å; N528-T531 WeakPolarHBondContact CA-OG1 3.03Å; N528-T531 PolarHBondContact O-OG1 3.48Å; T531-T533 PolarHBondContact O-N 2.9Å; T531-V534 PolarHBondContact O-N 2.96Å; T531-V534 VanDerWaalsContact O-N 3.09Å
532	T	33.3	Very low	35.2	Very low	118 Å²	118	121.9 Å²	121.9	72%	0.724	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-6	-172.4	-12.5	0	0	0	0	114.8	N528	N528-T532 PolarHBondContact O-OG1 2.92Å; N528-T532 VanDerWaalsContact O-OG1 3.06Å
533	T	34.7	Very low	34.4	Very low	133 Å²	133	123.7 Å²	123.7	82%	0.816	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	2.9	173.5	46.4	0	0	0	0	114	T531	T531-T533 PolarHBondContact O-N 2.9Å
534	V	38.9	Very low	33.3	Very low	120 Å²	120	125 Å²	125	73%	0.727	69%	0.688	S	S	*	*	S	Bend	trans	-137.4	65.3	-177	-163.9	0	0	0	0	112.5	T531	T531-V534 PolarHBondContact O-N 2.96Å; T531-V534 VanDerWaalsContact O-N 3.09Å
535	N	27.1	Very low	32.5	Very low	122 Å²	122	125.9 Å²	125.9	65%	0.652	69%	0.689	S	S	*	*			trans	-154.3	104.3	152.8	-165.7	-0.2	0	0	0	113.2	S537	N535-S537 PolarHBondContact OD1-N 3.28Å; N535-S537 PolarHBondContact OD1-OG 2.98Å
536	V	28	Very low	31.6	Very low	149 Å²	149	126.1 Å²	126.1	90%	0.903	70%	0.696	S	S	*	*			trans	-127.5	123.5	135.5	178.8	0	0	0	0	105.9
537	S	29.5	Very low	30.9	Very low	93 Å²	93	129.7 Å²	129.7	65%	0.65	71%	0.714	S	S	*	*			trans	-88.9	170.6	-173	-72.8	0	0	0	0	113.1	N535	N535-S537 PolarHBondContact OD1-N 3.28Å; N535-S537 PolarHBondContact OD1-OG 2.98Å
538	Q	30.9	Very low	29.6	Very low	200 Å²	200	134.9 Å²	134.9	94%	0.935	74%	0.737	S	S	*	*			trans	-60.7	141.5	-176.6	-60.3	165.5	-6.9	0	0	113.6
539	S	23.6	Very low	28.7	Very low	117 Å²	117	134.9 Å²	134.9	82%	0.818	75%	0.746	S	S	*	*			trans	-146.8	161.4	148	73.5	0	0	0	0	110.2
540	L	26.7	Very low	29.2	Very low	166 Å²	166	133.6 Å²	133.6	87%	0.869	75%	0.751	S	S	*	*			trans	-95.4	149.6	-175	-77.1	154	0	0	0	112.1
541	S	24.7	Very low	28.3	Very low	108 Å²	108	133.7 Å²	133.7	76%	0.755	76%	0.76	S	S	*	*			trans	-16.5	149.2	161.5	-56	0	0	0	0	117.2
542	P	31.3	Very low	27.9	Very low	109 Å²	109	135.8 Å²	135.8	71%	0.708	78%	0.778	S	S	*	*				-159.2	173.2	53.2	44.3	-23.1	0	0	0	121.3
543	I	23.3	Very low	27.6	Very low	147 Å²	147	135.4 Å²	135.4	75%	0.754	78%	0.78	S	S	*	*			trans	82.3	113.2	140.2	-82.3	161.8	0	0	0	121.8
544	H	23.8	Very low	27.1	Very low	158 Å²	158	132.6 Å²	132.6	73%	0.731	78%	0.777	S	S	*	*			trans	76.6	129.8	144.3	-85.2	-107.3	0	0	0	125.3
545	K	22.5	Very low	26.6	Very low	192 Å²	192	131.9 Å²	131.9	84%	0.835	78%	0.777	S	S	*	*			trans	70.4	163.4	152.4	-67	178.8	178.9	-178.4	0	119.2
546	L	20.5	Very low	26.6	Very low	142 Å²	142	131.2 Å²	131.2	74%	0.743	78%	0.782	S	S	*	*			cis	-178.8	125.3	-40.7	-178.4	108	0	0	0	108.4
547	L	22.8	Very low	26.6	Very low	148 Å²	148	128.8 Å²	128.8	78%	0.775	77%	0.772	S	S	*	*			trans	63.5	156.3	170.7	-114.4	66.2	0	0	0	113.9
548	E	21.4	Very low	26.6	Very low	173 Å²	173	130 Å²	130	81%	0.808	78%	0.781	S	S	*	*			cis	-136.4	-168.4	11.8	-67.2	-171.3	103.9	0	0	112.3
549	S	21.1	Very low	26.4	Very low	113 Å²	113	124.1 Å²	124.1	79%	0.79	77%	0.774	S	S	*	*			trans	-131.8	-167.9	170.3	-60.8	0	0	0	0	108.2
550	P	51.2	Low	26.6	Very low	124 Å²	124	122.2 Å²	122.2	81%	0.805	77%	0.772	S	S	*	*				-127.2	171.2	-66	37.6	-24.3	0	0	0	112.6
551	S	23.4	Very low	26.6	Very low	106 Å²	106	119.8 Å²	119.8	74%	0.741	77%	0.769	S	S	*	*			trans	-165.7	129.3	154.8	34.7	0	0	0	0	108.4
552	S	26.8	Very low	26.8	Very low	113 Å²	113	121 Å²	121	79%	0.79	77%	0.765	S	S	*	*				64	139.6	79.9	101.7	0	0	0	0	113
553	S	26.4	Very low	26.6	Very low	111 Å²	111	125 Å²	125	78%	0.776	77%	0.767	S	S	*	*			cis	-163.4	148.7	21.8	54.5	0	0	0	0	113.9
554	G	25.6	Very low	26.8	Very low	73 Å²	73	129.5 Å²	129.5	75%	0.753	77%	0.774	S	S	*	*			trans	83.7	163.5	153.4	0	0	0	0	0	117.3
555	S	27.1	Very low	27.1	Very low	105 Å²	105	127.1 Å²	127.1	73%	0.734	78%	0.782	S	S	*	*			cis	-170.9	150.2	-11.9	44	0	0	0	0	111.6
556	S	26.9	Very low	27.2	Very low	108 Å²	108	121.9 Å²	121.9	76%	0.755	78%	0.783	S	S	*	*			trans	61.3	145.6	153.9	47.6	0	0	0	0	119.4
557	S	28.8	Very low	27.5	Very low	98 Å²	98	119 Å²	119	69%	0.685	79%	0.787	S	S	*	*			cis	-173.1	162.5	-11.1	46.8	0	0	0	0	111
558	S	29.6	Very low	27.7	Very low	119 Å²	119	119.2 Å²	119.2	83%	0.832	80%	0.795	S	S	*	*			trans	60	144.5	150.3	54.4	0	0	0	0	120.2
559	G	27.2	Very low	28	Very low	77 Å²	77	114.4 Å²	114.4	79%	0.794	79%	0.792	S	S	*	*			cis	162.9	164.3	-2.6	0	0	0	0	0	112.2
560	G	26.5	Very low	28.8	Very low	76 Å²	76	114.7 Å²	114.7	78%	0.784	79%	0.791	S	S	*	*			trans	91.5	128.7	-177	0	0	0	0	0	113.2
561	S	27.3	Very low	27.6	Very low	115 Å²	115	114.3 Å²	114.3	80%	0.804	79%	0.786	S	S	*	*			cis	64.9	124.7	14	-102.2	0	0	0	0	114.2
562	M	29.7	Very low	27.6	Very low	134 Å²	134	117.9 Å²	117.9	66%	0.66	79%	0.791	S	S	*	*			cis	-144.8	-165.6	3.1	-75.2	-172.6	-90.3	0	0	108.8
563	Y	27.3	Very low	27.4	Very low	193 Å²	193	117 Å²	117	76%	0.757	78%	0.784	S	S	*	*			cis	-159.6	140.5	23.6	-62.5	-95.2	0	0	0	115
564	R	27.4	Very low	27.8	Very low	241 Å²	241	117.3 Å²	117.3	91%	0.909	78%	0.784	S	S	*	*				38.5	116.6	126.4	-166.5	-165.7	-146.1	171.2	7.5	121.8
565	A	28.8	Very low	27.8	Very low	108 Å²	108	121.7 Å²	121.7	89%	0.893	79%	0.787	S	S	*	*			trans	-160.4	158.5	139.6	0	0	0	0	0	111.6
566	G	25.6	Very low	27.6	Very low	83 Å²	83	121.8 Å²	121.8	86%	0.856	78%	0.779	S	S	*	*			trans	-172.3	151.7	173.1	0	0	0	0	0	112.1
567	G	26.1	Very low	27.6	Very low	81 Å²	81	126.4 Å²	126.4	84%	0.835	78%	0.78	S	S	*	*			trans	-176.3	98.1	-173.4	0	0	0	0	0	115.6
568	V	28	Very low	27.4	Very low	153 Å²	153	126.5 Å²	126.5	93%	0.927	78%	0.776	S	S	*	*			trans	-24.8	136.9	167.7	-177	0	0	0	0	117.8
569	G	26.2	Very low	27.3	Very low	72 Å²	72	130.5 Å²	130.5	74%	0.742	78%	0.779	S	S	*	*			trans	-174	125.4	162.7	0	0	0	0	0	112.8
570	P	39.4	Very low	27.3	Very low	119 Å²	119	129.9 Å²	129.9	77%	0.773	77%	0.773	S	S	*	*			trans	-113.4	173.7	-173.1	37.6	-27.3	0	0	0	114.7
571	V	25.3	Very low	27.2	Very low	115 Å²	115	136.2 Å²	136.2	70%	0.697	78%	0.779	S	S	*	*				162.5	117.6	127.8	158.4	0	0	0	0	113.6
572	Q	24.6	Very low	27.2	Very low	182 Å²	182	140.6 Å²	140.6	85%	0.85	78%	0.784	S	S	*	*			trans	52.8	126.4	145	-62.1	169	0.9	0	0	123.8
573	S	22.4	Very low	27.1	Very low	94 Å²	94	139 Å²	139	66%	0.657	79%	0.792	S	S	*	*			trans	-84.1	162.9	145.3	58.4	0	0	0	0	111.6
574	P	34	Very low	27.1	Very low	117 Å²	117	136.8 Å²	136.8	76%	0.76	79%	0.793	S	S	*	*				-129.7	152.9	99.1	9.2	13.3	0	0	0	112
575	M	25.2	Very low	27.3	Very low	165 Å²	165	134 Å²	134	81%	0.813	79%	0.791	S	S	*	*				65	133.7	55.6	-65.4	-67.4	-177.5	0	0	112.8
576	D	24	Very low	27.4	Very low	108 Å²	108	133.6 Å²	133.6	58%	0.578	78%	0.781	S	S	*	*			cis	-169.8	176.6	-0	171.5	35.9	0	0	0	109
577	R	26.6	Very low	27.7	Very low	204 Å²	204	138.5 Å²	138.5	77%	0.77	78%	0.782	S	S	*	*			trans	86.1	153.7	159.8	-55.1	179	139	62	-10.6	120
578	T	25.5	Very low	28.5	Very low	100 Å²	100	139.4 Å²	139.4	61%	0.613	77%	0.773	S	S	*	*			cis	-175.1	144.6	-29	-79.4	0	0	0	0	107.5
579	K	27.5	Very low	28.9	Very low	203 Å²	203	139.3 Å²	139.3	88%	0.883	77%	0.766	S	S	*	*			trans	65.7	137.9	177.7	-70.9	157.6	178.6	179.9	0	114.6
580	G	26.3	Very low	29.5	Very low	65 Å²	65	141.9 Å²	141.9	67%	0.67	76%	0.763	S	S	*	*			cis	103.1	105.4	-7.2	0	0	0	0	0	114.7
581	F	24.9	Very low	29.3	Very low	208 Å²	208	145.8 Å²	145.8	91%	0.912	76%	0.762	S	S	*	*			trans	-153.3	147.5	157.2	-115.5	-83	0	0	0	108.2
582	F	25.7	Very low	29.8	Very low	207 Å²	207	142.5 Å²	142.5	91%	0.908	74%	0.743	S	S	*	*			trans	-91.4	145.1	168.1	-84.5	-98.8	0	0	0	109.6
583	A	28.7	Very low	30.2	Very low	100 Å²	100	139.3 Å²	139.3	83%	0.826	73%	0.732	S	S	*	*			trans	-130.6	132.4	155	0	0	0	0	0	106.9
584	D	28.2	Very low	31.1	Very low	147 Å²	147	140.4 Å²	140.4	79%	0.786	74%	0.74	S	S	*	*			trans	-118.2	118.1	-180	176.3	35.4	0	0	0	106.5
585	E	30.1	Very low	31.2	Very low	183 Å²	183	141 Å²	141	86%	0.855	74%	0.742	S	S	*	*			trans	-153.4	138.4	173.9	-76.1	-57.1	165.1	0	0	109.2
586	S	32.1	Very low	32.3	Very low	99 Å²	99	138.4 Å²	138.4	69%	0.692	74%	0.74	S	S	*	*			trans	-136	118.6	179.9	64.1	0	0	0	0	111.8
587	E	31.1	Very low	32.8	Very low	186 Å²	186	137.9 Å²	137.9	87%	0.869	75%	0.745	S	S	*	*			trans	66.2	162.9	175.9	-58.5	-163.6	135.4	0	0	116.5
588	P	43.6	Very low	33.4	Very low	101 Å²	101	136.6 Å²	136.6	66%	0.656	75%	0.745	S	S	*	*			cis	-131.7	169.7	-17.9	20.6	2.8	0	0	0	115.2
589	L	35.5	Very low	33.9	Very low	150 Å²	150	139 Å²	139	79%	0.785	75%	0.754	S	S	*	*			trans	62.8	125	148.6	-70.3	163.4	0	0	0	122.1
590	L	38.9	Very low	34.4	Very low	126 Å²	126	131.4 Å²	131.4	66%	0.66	73%	0.726	S	S	*	*			trans	56.5	84.6	139.3	-61.8	172.8	0	0	0	119.8
591	R	34.7	Very low	35.2	Very low	201 Å²	201	132 Å²	132	76%	0.758	73%	0.725	S	S	*	*			trans	-162.3	155.4	134.3	-112.3	164.2	-161.5	78.7	-4.7	112.6	D593	R591-D593 WeakPolarHBondContact CB-OD2 3.07Å; R591-D593 WeakPolarHBondContact CD-OD1 3.24Å; R591-D593 VanDerWaalsContact CD-OD2 3.24Å; R591-D593 WeakPolarHBondContact CD-OD2 3.42Å
592	C	36.1	Very low	36.3	Very low	46 Å²	46	123.3 Å²	123.3	31%	0.311	69%	0.688	S	S	.	*			trans	-104.3	76.5	163.9	-66.5	0	0	0	0	108.1	Q673	C592-Q673 PolarHBondContact SG-OE1 3.29Å; C592-Q673 VanDerWaalsContact SG-OE1 3.39Å
593	D	32.2	Very low	37.2	Very low	115 Å²	115	116.7 Å²	116.7	62%	0.615	67%	0.668	S	S	*	*			trans	-89.9	107	-178.2	-72.4	-33.7	0	0	0	111.2	R591 T595	R591-D593 WeakPolarHBondContact CB-OD2 3.07Å; R591-D593 WeakPolarHBondContact CD-OD1 3.24Å; R591-D593 VanDerWaalsContact CD-OD2 3.24Å; R591-D593 WeakPolarHBondContact CD-OD2 3.42Å; D593-T595 PolarHBondContact O-N 3.48Å
594	S	42.5	Very low	38.3	Very low	117 Å²	117	122.8 Å²	122.8	82%	0.818	67%	0.669	S	S	*	*			trans	-65.7	95.9	178.1	-62.2	0	0	0	0	112
595	T	35.5	Very low	39.5	Very low	130 Å²	130	121.2 Å²	121.2	80%	0.798	66%	0.661	S	S	*	*			trans	-118.3	132.4	166.1	56	0	0	0	0	111.1	D593 S597	D593-T595 PolarHBondContact O-N 3.48Å; T595-S597 PolarHBondContact O-N 2.86Å
596	S	49.2	Very low	40.8	Very low	110 Å²	110	114.9 Å²	114.9	77%	0.769	65%	0.645	S	S	*	*			trans	-77.4	108.4	-168	152.6	0	0	0	0	112.4
597	S	33.2	Very low	42.6	Very low	98 Å²	98	111.4 Å²	111.4	69%	0.685	62%	0.621	S	S	*	*			trans	-100.6	103.4	154.2	-170.2	0	0	0	0	110.1	T595 D599	T595-S597 PolarHBondContact O-N 2.86Å; S597-D599 PolarHBondContact O-N 2.03Å; S597-D599 VanDerWaalsContact O-N 3.16Å
598	K	40.8	Very low	44.5	Very low	176 Å²	176	106.8 Å²	106.8	77%	0.765	60%	0.598	S	S	*	*			trans	-76.3	94.6	167.6	-76.6	179.4	176.4	175.4	0	108.6
599	D	35.7	Very low	46.1	Very low	151 Å²	151	102.2 Å²	102.2	81%	0.807	57%	0.568	S	S	*	*			trans	175.5	77.6	138.1	-88.4	-23.2	0	0	0	111.7	S597	S597-D599 PolarHBondContact O-N 2.03Å; S597-D599 VanDerWaalsContact O-N 3.16Å
600	S	36.4	Very low	48	Very low	43 Å²	43	98.9 Å²	98.9	30%	0.301	55%	0.553	S	S	.	*			trans	-160.5	151.2	163.2	-92.4	0	0	0	0	111.8	L602 S603	S600-L602 VanDerWaalsContact C-N 3.3Å; S600-L602 PolarHBondContact O-N 3.24Å; S600-S603 WeakPolarHBondContact O-CB 3.36Å; S600-S603 PolarHBondContact O-N 3.04Å
601	A	44.2	Very low	49.6	Very low	79 Å²	79	96.9 Å²	96.9	65%	0.653	54%	0.539	S	S	*	.	H	α-helix	trans	-58	-39.7	-177.4	0	0	0	0	0	112.9	S603 R604	A601-S603 PolarHBondContact O-N 2.04Å; A601-R604 WeakPolarHBondContact O-CB 3.29Å; A601-R604 PolarHBondContact O-N 3.12Å
602	L	47.7	Very low	51.2	Low	24 Å²	24	92.9 Å²	92.9	13%	0.126	53%	0.53	C	S	.	.	H	α-helix	trans	-62.5	-25.6	176.8	-66	170	0	0	0	113.5	S600 R604 N605 S607 K611 E662	S600-L602 VanDerWaalsContact C-N 3.3Å; S600-L602 PolarHBondContact O-N 3.24Å; L602-R604 VanDerWaalsContact C-N 3.35Å; L602-N605 PolarHBondContact O-N 3.07Å; L602-S607 PolarHBondContact O-N 2.68Å; L602-K611 HydrophobicContact CD1-CB 4.05Å; L602-K611 HydrophobicContact CD1-CG 4.17Å; L602-E662 HydrophobicContact CD2-CG 4.41Å
603	S	44.7	Very low	52.9	Low	69 Å²	69	93.8 Å²	93.8	48%	0.483	53%	0.528	S	S	.	.	H	α-helix	trans	-73.5	-24.7	175.6	177.8	0	0	0	0	112.6	S600 A601 N605	S600-S603 WeakPolarHBondContact O-CB 3.36Å; S600-S603 PolarHBondContact O-N 3.04Å; A601-S603 PolarHBondContact O-N 2.04Å; S603-N605 PolarHBondContact O-N 3.41Å
604	R	52.2	Low	55.2	Low	228 Å²	228	89.2 Å²	89.2	86%	0.86	50%	0.503	S	S	*	.	H	α-helix	trans	-70.4	-20.3	174.5	-73.3	-175.9	166.8	148.8	0	113.4	A601 L602	A601-R604 WeakPolarHBondContact O-CB 3.29Å; A601-R604 PolarHBondContact O-N 3.12Å; L602-R604 VanDerWaalsContact C-N 3.35Å
605	N	53	Low	56.6	Low	113 Å²	113	85.4 Å²	85.4	60%	0.604	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	2.4	-174.6	-61.8	11.7	0	0	0	113.2	L602 S603 V666	L602-N605 PolarHBondContact O-N 3.07Å; S603-N605 PolarHBondContact O-N 3.41Å; N605-V666 HydrophobicContact CB-CG1 3.99Å; N605-V666 WeakPolarHBondContact O-CG1 3.29Å
606	G	56.6	Low	58.5	Low	51 Å²	51	82 Å²	82	53%	0.526	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	26.7	178.8	0	0	0	0	0	115.2	F608	G606-F608 PolarHBondContact O-N 2.83Å
607	S	70.9	Confident	59.7	Low	26 Å²	26	76.8 Å²	76.8	18%	0.182	42%	0.416	C	S	.	.			trans	-61.3	128.4	179.2	177.3	0	0	0	0	112.7	L602 I609 G665	L602-S607 PolarHBondContact O-N 2.68Å; S607-I609 PolarHBondContact O-N 2.74Å; S607-I609 PolarHBondContact OG-N 3.13Å; S607-I609 VanDerWaalsContact OG-N 3.1Å; S607-I609 PolarHBondContact OG-O 2.68Å; S607-G665 CarbonylContact C-O 3.56Å; S607-G665 WeakPolarHBondContact CA-O 3.11Å
608	F	71.7	Confident	61.7	Low	89 Å²	89	74 Å²	74	39%	0.39	39%	0.393	S	S	.	.	S	Bend	trans	-73.3	-13.2	169.9	-64.7	-78.9	0	0	0	113.1	G606 G665 S668 Q669 S672	G606-F608 PolarHBondContact O-N 2.83Å; F608-G665 WeakPolarHBondContact CD2-O 3.26Å; F608-G665 PolarHBondContact N-O 3.41Å; F608-S668 VanDerWaalsContact CD2-C 3.47Å; F608-Q669 HydrophobicContact CD1-CB 3.87Å; F608-Q669 HydrophobicContact CD1-CG 4.25Å; F608-Q669 HydrophobicContact CE1-CB 3.96Å; F608-Q669 HydrophobicContact CG-CB 4.18Å; F608-Q669 HydrophobicContact CZ-CB 4.36Å; F608-S672 WeakPolarHBondContact CB-OG 3.04Å
609	I	75.5	Confident	63	Low	5 Å²	5	74.8 Å²	74.8	3%	0.026	39%	0.391	C	S	.	.	S	Bend	trans	-100	123.6	174.2	-53.1	179.9	0	0	0	108.8	S607 K613 F661 L675 L676	S607-I609 PolarHBondContact O-N 2.74Å; S607-I609 PolarHBondContact OG-N 3.13Å; S607-I609 VanDerWaalsContact OG-N 3.1Å; S607-I609 PolarHBondContact OG-O 2.68Å; I609-K613 HydrophobicContact CG2-CB 4.43Å; I609-F661 HydrophobicContact CD1-CD1 3.6Å; I609-F661 HydrophobicContact CD1-CE1 4.01Å; I609-F661 HydrophobicContact CG2-CD1 4.14Å; I609-F661 HydrophobicContact CG2-CE1 4.37Å; I609-L675 HydrophobicContact CD1-CD2 4.06Å; I609-L676 HydrophobicContact CD1-CG 4.45Å; I609-L676 HydrophobicContact CG1-CD1 4.35Å
610	T	76.1	Confident	64.3	Low	79 Å²	79	72.3 Å²	72.3	49%	0.485	38%	0.375	S	S	.	.			trans	-71	149.4	176.2	67.3	0	0	0	0	111	E612 K613 K614	T610-E612 VanDerWaalsContact C-N 3.25Å; T610-E612 WeakPolarHBondContact CB-OE2 3.39Å; T610-E612 PolarHBondContact O-N 3.33Å; T610-K613 PolarHBondContact O-N 2.96Å; T610-K613 VanDerWaalsContact O-N 3.16Å; T610-K613 WeakPolarHBondContact OG1-CB 3.16Å; T610-K613 PolarHBondContact OG1-N 3.34Å; T610-K614 PolarHBondContact O-N 3.21Å; T610-K614 VanDerWaalsContact O-N 3.15Å
611	K	72.9	Confident	65.5	Low	84 Å²	84	70.9 Å²	70.9	37%	0.365	36%	0.364	S	S	.	.	H	α-helix	trans	-59.2	-42.6	-179	-176	-174.2	172.1	-168.1	0	110.7	L602 K613 K614 D615	L602-K611 HydrophobicContact CD1-CB 4.05Å; L602-K611 HydrophobicContact CD1-CG 4.17Å; K611-K613 PolarHBondContact O-N 3.14Å; K611-K614 PolarHBondContact O-N 3.2Å; K611-K614 VanDerWaalsContact O-N 3.17Å; K611-D615 WeakPolarHBondContact CG-OD1 3.4Å; K611-D615 VanDerWaalsContact O-CB 3.28Å; K611-D615 WeakPolarHBondContact O-CB 3.02Å; K611-D615 PolarHBondContact O-N 3.01Å
612	E	68.3	Low	66	Low	118 Å²	118	72.8 Å²	72.8	55%	0.551	36%	0.355	S	S	*	.	H	α-helix	trans	-59.6	-35.8	-178.6	-60.1	66	-142.8	0	0	111.1	T610 T616	T610-E612 VanDerWaalsContact C-N 3.25Å; T610-E612 WeakPolarHBondContact CB-OE2 3.39Å; T610-E612 PolarHBondContact O-N 3.33Å; E612-T616 VanDerWaalsContact O-CB 3.26Å; E612-T616 WeakPolarHBondContact O-CB 3.03Å; E612-T616 PolarHBondContact O-N 2.97Å; E612-T616 PolarHBondContact O-OG1 2.81Å
613	K	72.6	Confident	66.7	Low	64 Å²	64	73 Å²	73	28%	0.278	36%	0.356	S	S	.	.	H	α-helix	trans	-74.8	-41	177.8	-159.5	170.2	-172.9	176.3	0	111.6	I609 T610 K611 T616 V617 L676 Y680	I609-K613 HydrophobicContact CG2-CB 4.43Å; T610-K613 PolarHBondContact O-N 2.96Å; T610-K613 VanDerWaalsContact O-N 3.16Å; T610-K613 WeakPolarHBondContact OG1-CB 3.16Å; T610-K613 PolarHBondContact OG1-N 3.34Å; K611-K613 PolarHBondContact O-N 3.14Å; K613-T616 PolarHBondContact O-N 3.41Å; K613-V617 WeakPolarHBondContact O-CG2 3.25Å; K613-V617 PolarHBondContact O-N 3.07Å; K613-V617 VanDerWaalsContact O-N 3.13Å; K613-L676 HydrophobicContact CD-CD1 4.04Å; K613-L676 HydrophobicContact CD-CD2 4.11Å; K613-L676 HydrophobicContact CG-CD2 4.23Å; K613-Y680 WeakPolarHBondContact CE-OH 3.45Å
614	K	79.8	Confident	67.4	Low	19 Å²	19	74.4 Å²	74.4	8%	0.083	36%	0.358	C	S	.	.	H	α-helix	trans	-60.6	-55	171.5	-171.4	177.1	84.1	155	0	111	T610 K611 T616 V617 L618 D658 F661	T610-K614 PolarHBondContact O-N 3.21Å; T610-K614 VanDerWaalsContact O-N 3.15Å; K611-K614 PolarHBondContact O-N 3.2Å; K611-K614 VanDerWaalsContact O-N 3.17Å; K614-T616 PolarHBondContact O-N 3.44Å; K614-T616 VanDerWaalsContact O-N 3.16Å; K614-V617 PolarHBondContact O-N 2.67Å; K614-L618 HydrophobicContact CD-CD1 4.24Å; K614-L618 HydrophobicContact CG-CD1 3.69Å; K614-L618 HydrophobicContact CG-CG 4.41Å; K614-L618 WeakPolarHBondContact O-CG 3.45Å; K614-L618 PolarHBondContact O-N 2.87Å; K614-D658 VanDerWaalsContact CD-OD1 3.3Å; K614-D658 WeakPolarHBondContact CD-OD1 3.46Å; K614-D658 WeakPolarHBondContact CE-OD1 3.21Å; K614-D658 IonicContact NZ-OD1 2.82Å; K614-D658 PolarHBondContact NZ-OD1 2.69Å; K614-D658 IonicContact NZ-OD2 3.11Å; K614-D658 PolarHBondContact NZ-OD2 2.56Å; K614-F661 HydrophobicContact CD-CB 3.55Å; K614-F661 HydrophobicContact CD-CG 4.11Å; K614-F661 HydrophobicContact CG-CB 3.94Å; K614-F661 HydrophobicContact CG-CD1 4.26Å; K614-F661 HydrophobicContact CG-CD2 4.27Å; K614-F661 HydrophobicContact CG-CG 3.91Å
615	D	71.4	Confident	67.7	Low	38 Å²	38	67.5 Å²	67.5	20%	0.203	34%	0.343	C	S	.	.	H	α-helix	trans	-57.8	-26.3	177.6	-83.1	37	0	0	0	113.3	K611 R619	K611-D615 WeakPolarHBondContact CG-OD1 3.4Å; K611-D615 VanDerWaalsContact O-CB 3.28Å; K611-D615 WeakPolarHBondContact O-CB 3.02Å; K611-D615 PolarHBondContact O-N 3.01Å; D615-R619 WeakPolarHBondContact O-CB 3.43Å; D615-R619 VanDerWaalsContact O-CD 3.24Å; D615-R619 WeakPolarHBondContact O-CD 3.24Å; D615-R619 WeakPolarHBondContact O-CG 3.17Å; D615-R619 IonicContact OD2-CZ 2.77Å; D615-R619 IonicContact OD2-NH1 3.57Å; D615-R619 IonicContact OD2-NH2 3.59Å; D615-R619 PolarHBondContact OD2-NH2 2.04Å
616	T	76	Confident	67.9	Low	58 Å²	58	66.9 Å²	66.9	36%	0.356	35%	0.346	S	S	.	.	H	α-helix	trans	-79.9	-47.4	176.4	-62.7	0	0	0	0	111.5	E612 K613 K614 L618 R619 Q620	E612-T616 VanDerWaalsContact O-CB 3.26Å; E612-T616 WeakPolarHBondContact O-CB 3.03Å; E612-T616 PolarHBondContact O-N 2.97Å; E612-T616 PolarHBondContact O-OG1 2.81Å; K613-T616 PolarHBondContact O-N 3.41Å; K614-T616 PolarHBondContact O-N 3.44Å; K614-T616 VanDerWaalsContact O-N 3.16Å; T616-L618 PolarHBondContact O-N 2.88Å; T616-R619 PolarHBondContact O-N 2.03Å; T616-Q620 HydrophobicContact CG2-CG 4.44Å; T616-Q620 WeakPolarHBondContact O-CB 3.24Å; T616-Q620 WeakPolarHBondContact O-CG 3.34Å; T616-Q620 PolarHBondContact O-N 2.91Å; T616-Q620 VanDerWaalsContact O-N 3.16Å
617	V	74.5	Confident	68.3	Low	1 Å²	1	68.2 Å²	68.2	1%	0.006	34%	0.341	C	S	.	.	H	α-helix	trans	-57.6	-50.9	176	169.5	0	0	0	0	110.6	K613 K614 R619 Q620 V621 F661 V679	K613-V617 WeakPolarHBondContact O-CG2 3.25Å; K613-V617 PolarHBondContact O-N 3.07Å; K613-V617 VanDerWaalsContact O-N 3.13Å; K614-V617 PolarHBondContact O-N 2.67Å; V617-R619 PolarHBondContact O-N 2.8Å; V617-R619 VanDerWaalsContact O-N 3.09Å; V617-Q620 PolarHBondContact O-N 3.49Å; V617-V621 HydrophobicContact CG1-CG2 3.95Å; V617-V621 WeakPolarHBondContact O-CG2 3.27Å; V617-V621 PolarHBondContact O-N 2.81Å; V617-F661 HydrophobicContact CB-CE2 4.46Å; V617-F661 HydrophobicContact CB-CZ 4.19Å; V617-F661 HydrophobicContact CG1-CE2 3.91Å; V617-F661 HydrophobicContact CG1-CZ 3.89Å; V617-F661 HydrophobicContact CG2-CZ 4.26Å; V617-V679 HydrophobicContact CG1-CG1 3.65Å; V617-V679 HydrophobicContact CG2-CG1 4.02Å
618	L	74.3	Confident	68.3	Low	40 Å²	40	67 Å²	67	21%	0.209	33%	0.333	C	S	.	.	H	α-helix	trans	-66.8	-11.4	-177.6	-64.1	171.1	0	0	0	114.3	K614 T616 L657 D658	K614-L618 HydrophobicContact CD-CD1 4.24Å; K614-L618 HydrophobicContact CG-CD1 3.69Å; K614-L618 HydrophobicContact CG-CG 4.41Å; K614-L618 WeakPolarHBondContact O-CG 3.45Å; K614-L618 PolarHBondContact O-N 2.87Å; T616-L618 PolarHBondContact O-N 2.88Å; L618-L657 HydrophobicContact CD2-CB 4.5Å; L618-L657 HydrophobicContact CD2-CD2 3.82Å; L618-L657 HydrophobicContact CD2-CG 4.11Å; L618-D658 HydrophobicContact CD1-CB 4.33Å; L618-D658 WeakPolarHBondContact CD1-OD1 3.34Å
619	R	68.3	Low	68.3	Low	191 Å²	191	66 Å²	66	72%	0.721	33%	0.329	S	S	*	.	H	α-helix	trans	-101.8	-10.8	173.3	-72	176.8	-168.3	135.7	15.4	113.8	D615 T616 V617	D615-R619 WeakPolarHBondContact O-CB 3.43Å; D615-R619 VanDerWaalsContact O-CD 3.24Å; D615-R619 WeakPolarHBondContact O-CD 3.24Å; D615-R619 WeakPolarHBondContact O-CG 3.17Å; D615-R619 IonicContact OD2-CZ 2.77Å; D615-R619 IonicContact OD2-NH1 3.57Å; D615-R619 IonicContact OD2-NH2 3.59Å; D615-R619 PolarHBondContact OD2-NH2 2.04Å; T616-R619 PolarHBondContact O-N 2.03Å; V617-R619 PolarHBondContact O-N 2.8Å; V617-R619 VanDerWaalsContact O-N 3.09Å
620	Q	62.4	Low	68.3	Low	99 Å²	99	67 Å²	67	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-105	-28.4	-178.5	-73.9	178.7	-16.5	0	0	112.3	T616 V617 L687	T616-Q620 HydrophobicContact CG2-CG 4.44Å; T616-Q620 WeakPolarHBondContact O-CB 3.24Å; T616-Q620 WeakPolarHBondContact O-CG 3.34Å; T616-Q620 PolarHBondContact O-N 2.91Å; T616-Q620 VanDerWaalsContact O-N 3.16Å; V617-Q620 PolarHBondContact O-N 3.49Å; Q620-L687 VanDerWaalsContact O-CD2 3.29Å; Q620-L687 WeakPolarHBondContact O-CD2 3.37Å
621	V	63.2	Low	68.5	Low	14 Å²	14	63.3 Å²	63.3	9%	0.085	31%	0.314	C	S	.	.	S	Bend	trans	-81.8	133.2	-178	167.8	0	0	0	0	111.8	V617 L623 L628 L683 L686	V617-V621 HydrophobicContact CG1-CG2 3.95Å; V617-V621 WeakPolarHBondContact O-CG2 3.27Å; V617-V621 PolarHBondContact O-N 2.81Å; V621-L623 HydrophobicContact CB-CD2 4.2Å; V621-L623 HydrophobicContact CG1-CD2 3.57Å; V621-L623 HydrophobicContact CG1-CG 4Å; V621-L628 HydrophobicContact CG1-CD2 4.05Å; V621-L683 HydrophobicContact CG2-CD1 4.05Å; V621-L686 CarbonylContact C-O 3.46Å; V621-L686 WeakPolarHBondContact CA-O 3.36Å; V621-L686 HydrophobicContact CB-CB 4.43Å; V621-L686 HydrophobicContact CG1-CB 4.01Å; V621-L686 HydrophobicContact CG1-CD1 4.33Å; V621-L686 HydrophobicContact CG1-CD2 4Å; V621-L686 HydrophobicContact CG1-CG 4.34Å; V621-L686 HydrophobicContact CG2-CB 4.09Å; V621-L686 HydrophobicContact CG2-CD1 4.19Å
622	R	54.9	Low	68.8	Low	118 Å²	118	60 Å²	60	45%	0.445	30%	0.299	S	S	.	.			trans	-70.8	115.1	156.4	-78.8	177.7	149.8	137.3	-19.4	108.6	E520 D624 L686 L687	E520-R622 IonicContact OE1-NH2 2.7Å; R622-D624 VanDerWaalsContact C-N 3.28Å; R622-D624 PolarHBondContact O-N 2.79Å; R622-L686 PolarHBondContact N-O 3.06Å; R622-L687 WeakPolarHBondContact CD-O 3.22Å; R622-L687 PolarHBondContact NH1-O 2.97Å
623	L	60.4	Low	69.3	Low	29 Å²	29	55.2 Å²	55.2	15%	0.152	28%	0.277	C	S	.	.			trans	-91.9	42.4	-168	-64.4	158.8	0	0	0	113	V621 L628 E654 L657	V621-L623 HydrophobicContact CB-CD2 4.2Å; V621-L623 HydrophobicContact CG1-CD2 3.57Å; V621-L623 HydrophobicContact CG1-CG 4Å; L623-L628 HydrophobicContact CB-CD1 4.2Å; L623-L628 HydrophobicContact CD2-CD1 3.92Å; L623-L628 HydrophobicContact CD2-CD2 4.34Å; L623-E654 HydrophobicContact CB-CG 3.83Å; L623-E654 HydrophobicContact CD1-CB 3.88Å; L623-E654 HydrophobicContact CD1-CG 3.58Å; L623-E654 HydrophobicContact CG-CG 4.25Å; L623-L657 HydrophobicContact CD2-CD2 3.61Å
624	D	59.5	Low	69.7	Low	98 Å²	98	53.4 Å²	53.4	52%	0.524	27%	0.271	S	S	.	.			trans	-69.4	134	176	-97.3	-57.2	0	0	0	110.9	R622 C626 D627 L628	R622-D624 VanDerWaalsContact C-N 3.28Å; R622-D624 PolarHBondContact O-N 2.79Å; D624-C626 PolarHBondContact O-N 2.03Å; D624-C626 VanDerWaalsContact O-N 3.09Å; D624-D627 PolarHBondContact O-N 3.28Å; D624-L628 PolarHBondContact O-N 2.8Å
625	P	58.6	Low	69.8	Low	83 Å²	83	52.5 Å²	52.5	54%	0.539	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-25.7	-171.9	-25.1	33.1	0	0	0	115	A653	P625-A653 HydrophobicContact CB-CB 4.2Å; P625-A653 HydrophobicContact CG-CB 4.04Å
626	C	58	Low	70.3	Confident	101 Å²	101	53.9 Å²	53.9	68%	0.682	27%	0.274	S	S	*	.	H	α-helix	trans	-75.9	-39	-178.5	-66.3	0	0	0	0	112.8	D624 Q629	D624-C626 PolarHBondContact O-N 2.03Å; D624-C626 VanDerWaalsContact O-N 3.09Å; C626-Q629 WeakPolarHBondContact O-CB 3.45Å; C626-Q629 PolarHBondContact O-N 3.43Å
627	D	65.4	Low	70.4	Confident	79 Å²	79	58 Å²	58	42%	0.422	29%	0.289	S	S	.	.	H	α-helix	trans	-85.5	-17	-172.8	-55.6	-66.1	0	0	0	112.5	D624 P630 L686	D624-D627 PolarHBondContact O-N 3.28Å; D627-P630 VanDerWaalsContact O-CD 3.3Å; D627-P630 WeakPolarHBondContact O-CD 3.33Å; D627-L686 HydrophobicContact CB-CD2 3.92Å
628	L	70.1	Confident	70.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-81	-20.9	169.2	-67.4	172	0	0	0	113.7	V621 L623 D624 P630 I631 F632 A653 L657 L686	V621-L628 HydrophobicContact CG1-CD2 4.05Å; L623-L628 HydrophobicContact CB-CD1 4.2Å; L623-L628 HydrophobicContact CD2-CD1 3.92Å; L623-L628 HydrophobicContact CD2-CD2 4.34Å; D624-L628 PolarHBondContact O-N 2.8Å; L628-P630 VanDerWaalsContact C-CD 3.41Å; L628-I631 HydrophobicContact CD2-CD1 4Å; L628-I631 WeakPolarHBondContact O-CB 3.22Å; L628-I631 PolarHBondContact O-N 3.46Å; L628-F632 HydrophobicContact CB-CD2 4.31Å; L628-F632 HydrophobicContact CB-CE2 3.83Å; L628-F632 VanDerWaalsContact O-CD2 3.26Å; L628-F632 WeakPolarHBondContact O-CD2 3.36Å; L628-F632 PolarHBondContact O-N 3.43Å; L628-A653 HydrophobicContact CD1-CB 3.73Å; L628-L657 HydrophobicContact CD2-CD2 3.85Å; L628-L686 HydrophobicContact CD2-CD2 4Å; L628-L686 HydrophobicContact CG-CD2 4.48Å
629	Q	72.9	Confident	71	Confident	67 Å²	67	58.9 Å²	58.9	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-53.1	-40.9	-179	-175.2	61.2	44.7	0	0	113.8	C626 I631 F632 D633	C626-Q629 WeakPolarHBondContact O-CB 3.45Å; C626-Q629 PolarHBondContact O-N 3.43Å; Q629-I631 VanDerWaalsContact C-N 3.29Å; Q629-I631 PolarHBondContact O-N 2.87Å; Q629-F632 PolarHBondContact O-N 2.9Å; Q629-D633 PolarHBondContact NE2-OD1 3.14Å; Q629-D633 WeakPolarHBondContact O-CB 3.2Å; Q629-D633 PolarHBondContact O-N 3.25Å
630	P	75	Confident	71.7	Confident	28 Å²	28	53.4 Å²	53.4	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-34.7	175.7	-25.3	36	0	0	0	114.7	D627 L628 D633 D634	D627-P630 VanDerWaalsContact O-CD 3.3Å; D627-P630 WeakPolarHBondContact O-CD 3.33Å; L628-P630 VanDerWaalsContact C-CD 3.41Å; P630-D633 PolarHBondContact O-N 2.79Å; P630-D634 PolarHBondContact O-N 2.68Å
631	I	79.8	Confident	72.4	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-70.2	-44.8	178.4	-64.3	159	0	0	0	110.1	L628 Q629 M635 L657 L660 L675 V679 H682 L686	L628-I631 HydrophobicContact CD2-CD1 4Å; L628-I631 WeakPolarHBondContact O-CB 3.22Å; L628-I631 PolarHBondContact O-N 3.46Å; Q629-I631 VanDerWaalsContact C-N 3.29Å; Q629-I631 PolarHBondContact O-N 2.87Å; I631-M635 WeakPolarHBondContact O-CB 3.38Å; I631-M635 VanDerWaalsContact O-CG 3.23Å; I631-M635 WeakPolarHBondContact O-CG 3.35Å; I631-M635 PolarHBondContact O-N 3.29Å; I631-M635 VanDerWaalsContact O-N 3.16Å; I631-L657 HydrophobicContact CG2-CD1 4.42Å; I631-L660 HydrophobicContact CG2-CD2 4.23Å; I631-L675 HydrophobicContact CG2-CD1 3.69Å; I631-V679 HydrophobicContact CD1-CG2 3.88Å; I631-V679 HydrophobicContact CG1-CG2 4.27Å; I631-V679 HydrophobicContact CG2-CG2 3.96Å; I631-H682 HydrophobicContact CG1-CB 4.46Å; I631-L686 HydrophobicContact CD1-CD1 3.69Å
632	F	79.6	Confident	73.2	Confident	15 Å²	15	60.7 Å²	60.7	7%	0.066	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-46	172.7	-65.1	-66.5	0	0	0	110.9	L628 Q629 D634 M635 L636 K656 L657 L660	L628-F632 HydrophobicContact CB-CD2 4.31Å; L628-F632 HydrophobicContact CB-CE2 3.83Å; L628-F632 VanDerWaalsContact O-CD2 3.26Å; L628-F632 WeakPolarHBondContact O-CD2 3.36Å; L628-F632 PolarHBondContact O-N 3.43Å; Q629-F632 PolarHBondContact O-N 2.9Å; F632-D634 PolarHBondContact O-N 2.78Å; F632-M635 CarbonylContact O-C 3.41Å; F632-M635 WeakPolarHBondContact O-CA 3.47Å; F632-M635 WeakPolarHBondContact O-CB 3.19Å; F632-M635 PolarHBondContact O-N 2.79Å; F632-L636 WeakPolarHBondContact O-CG 3.39Å; F632-L636 PolarHBondContact O-N 3.24Å; F632-K656 HydrophobicContact CE1-CB 4.46Å; F632-K656 HydrophobicContact CE1-CD 4.03Å; F632-K656 HydrophobicContact CE1-CG 3.68Å; F632-K656 HydrophobicContact CE2-CD 4.03Å; F632-K656 HydrophobicContact CE2-CG 4.39Å; F632-K656 HydrophobicContact CZ-CB 3.99Å; F632-K656 HydrophobicContact CZ-CD 3.69Å; F632-K656 HydrophobicContact CZ-CG 3.56Å; F632-L657 HydrophobicContact CZ-CB 4.36Å; F632-L660 HydrophobicContact CD1-CD2 3.68Å; F632-L660 HydrophobicContact CE1-CB 4.15Å; F632-L660 HydrophobicContact CE1-CD2 3.67Å
633	D	79.2	Confident	74.5	Confident	16 Å²	16	57.1 Å²	57.1	9%	0.086	31%	0.309	C	S	.	.	H	α-helix	trans	-57.9	-45.5	-179.6	-116.7	65.7	0	0	0	113.6	R144 T161 Q629 P630 M635	R144-D633 IonicContact CZ-OD2 3.45Å; R144-D633 VanDerWaalsContact CZ-OD2 3.31Å; R144-D633 IonicContact NH1-OD2 2.68Å; R144-D633 PolarHBondContact NH1-OD2 3.47Å; R144-D633 IonicContact NH2-OD2 2.98Å; R144-D633 PolarHBondContact NH2-OD2 3.44Å; R144-D633 VanDerWaalsContact NH2-OD2 3.15Å; T161-D633 WeakPolarHBondContact CG2-OD2 3.31Å; T161-D633 PolarHBondContact OG1-OD2 2.89Å; Q629-D633 PolarHBondContact NE2-OD1 3.14Å; Q629-D633 WeakPolarHBondContact O-CB 3.2Å; Q629-D633 PolarHBondContact O-N 3.25Å; P630-D633 PolarHBondContact O-N 2.79Å; D633-M635 VanDerWaalsContact C-N 3.27Å; D633-M635 PolarHBondContact O-N 3.4Å
634	D	80	Confident	75.5	Confident	27 Å²	27	58 Å²	58	14%	0.144	31%	0.314	C	S	.	.	H	α-helix	trans	-75.9	-14	176.5	-95.4	22.1	0	0	0	111.9	R144 K158 P630 F632 H637	R144-D634 IonicContact NH2-OD1 2.79Å; R144-D634 PolarHBondContact NH2-OD1 3.44Å; K158-D634 VanDerWaalsContact NZ-CG 3.28Å; K158-D634 IonicContact NZ-OD1 3.74Å; K158-D634 PolarHBondContact NZ-OD1 2.88Å; K158-D634 IonicContact NZ-OD2 2.68Å; K158-D634 PolarHBondContact NZ-OD2 2.75Å; K158-D634 VanDerWaalsContact NZ-OD2 3.08Å; P630-D634 PolarHBondContact O-N 2.68Å; F632-D634 PolarHBondContact O-N 2.78Å; D634-H637 PolarHBondContact O-CE1 3.42Å; D634-H637 PolarHBondContact O-ND1 3.09Å
635	M	82.7	Confident	76.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-90.5	-20.5	173.5	-74.3	-94.5	80.5	0	0	115.2	I631 F632 D633 H637 I638 L639 L660 A664 T674 L675	I631-M635 WeakPolarHBondContact O-CB 3.38Å; I631-M635 VanDerWaalsContact O-CG 3.23Å; I631-M635 WeakPolarHBondContact O-CG 3.35Å; I631-M635 PolarHBondContact O-N 3.29Å; I631-M635 VanDerWaalsContact O-N 3.16Å; F632-M635 CarbonylContact O-C 3.41Å; F632-M635 WeakPolarHBondContact O-CA 3.47Å; F632-M635 WeakPolarHBondContact O-CB 3.19Å; F632-M635 PolarHBondContact O-N 2.79Å; D633-M635 VanDerWaalsContact C-N 3.27Å; D633-M635 PolarHBondContact O-N 3.4Å; M635-H637 PolarHBondContact O-N 2.77Å; M635-I638 HydrophobicContact CE-CB 4.09Å; M635-I638 HydrophobicContact CE-CD1 3.52Å; M635-I638 HydrophobicContact CE-CG1 4.38Å; M635-I638 HydrophobicContact CE-CG2 4.14Å; M635-I638 PolarHBondContact O-N 2.83Å; M635-L639 HydrophobicContact CB-CD1 4.33Å; M635-L639 PolarHBondContact O-N 2.76Å; M635-L660 HydrophobicContact CB-CD1 4.22Å; M635-L660 HydrophobicContact CB-CD2 4.44Å; M635-L660 HydrophobicContact CG-CD1 4.31Å; M635-L660 HydrophobicContact CG-CD2 4.14Å; M635-L660 HydrophobicContact SD-CD1 4.22Å; M635-A664 HydrophobicContact SD-CB 4.29Å; M635-T674 HydrophobicContact CE-CG2 3.82Å; M635-L675 HydrophobicContact CE-CB 4.41Å; M635-L675 HydrophobicContact CG-CD1 4.04Å; M635-L675 HydrophobicContact SD-CB 3.55Å; M635-L675 VanDerWaalsContact SD-CB 3.55Å; M635-L675 HydrophobicContact SD-CD1 3.82Å; M635-L675 HydrophobicContact SD-CG 4.18Å
636	L	81.6	Confident	77.5	Confident	66 Å²	66	57.3 Å²	57.3	35%	0.346	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-33.6	-178.7	-70.3	175.5	0	0	0	114.2	F632 I638 L644	F632-L636 WeakPolarHBondContact O-CG 3.39Å; F632-L636 PolarHBondContact O-N 3.24Å; L636-I638 VanDerWaalsContact C-N 3.28Å; L636-I638 PolarHBondContact O-N 3.39Å; L636-L644 HydrophobicContact CD2-CD1 3.54Å; L636-L644 HydrophobicContact CD2-CD2 4.02Å; L636-L644 HydrophobicContact CD2-CG 4.46Å
637	H	77.3	Confident	78.6	Confident	146 Å²	146	52.6 Å²	52.6	68%	0.676	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.5	-177.5	78.7	-71.5	0	0	0	114.9	D634 M635	D634-H637 PolarHBondContact O-CE1 3.42Å; D634-H637 PolarHBondContact O-ND1 3.09Å; M635-H637 PolarHBondContact O-N 2.77Å
638	I	79.8	Confident	79.3	Confident	38 Å²	38	54.7 Å²	54.7	20%	0.195	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-17.1	-179.1	-76.8	163.1	0	0	0	111.3	M635 L636 K667 A671 T674	M635-I638 HydrophobicContact CE-CB 4.09Å; M635-I638 HydrophobicContact CE-CD1 3.52Å; M635-I638 HydrophobicContact CE-CG1 4.38Å; M635-I638 HydrophobicContact CE-CG2 4.14Å; M635-I638 PolarHBondContact O-N 2.83Å; L636-I638 VanDerWaalsContact C-N 3.28Å; L636-I638 PolarHBondContact O-N 3.39Å; I638-K667 WeakPolarHBondContact O-CE 3.46Å; I638-K667 PolarHBondContact O-NZ 3.27Å; I638-A671 HydrophobicContact CG2-CB 3.49Å; I638-A671 VanDerWaalsContact CG2-CB 3.49Å; I638-T674 HydrophobicContact CD1-CG2 3.79Å
639	L	81.5	Confident	79.9	Confident	21 Å²	21	61.2 Å²	61.2	11%	0.11	31%	0.309	C	S	.	.	S	Bend	trans	-86.2	146.4	-179.7	-66.1	165.2	0	0	0	112.2	M635 E643 L647 L660 I663	M635-L639 HydrophobicContact CB-CD1 4.33Å; M635-L639 PolarHBondContact O-N 2.76Å; L639-E643 WeakPolarHBondContact CA-OE2 3.34Å; L639-E643 HydrophobicContact CD2-CB 4.31Å; L639-L647 HydrophobicContact CD1-CD1 3.72Å; L639-L647 HydrophobicContact CD2-CD1 4.01Å; L639-L660 HydrophobicContact CD1-CD1 4.03Å; L639-L660 HydrophobicContact CD2-CD1 4.04Å; L639-L660 HydrophobicContact CG-CD1 4.48Å; L639-I663 HydrophobicContact CD2-CG2 3.7Å
640	N	83.8	Confident	80.3	Confident	76 Å²	76	59.8 Å²	59.8	41%	0.406	30%	0.303	S	S	.	.			trans	-79.2	155.6	170.2	-67.8	-5.6	0	0	0	109.7	E642 E643 L644 K667	N640-E642 PolarHBondContact O-N 3.03Å; N640-E643 HydrophobicContact CB-CB 4.3Å; N640-E643 HydrophobicContact CB-CG 3.98Å; N640-E643 PolarHBondContact N-OE2 3.42Å; N640-E643 PolarHBondContact ND2-OE1 2.96Å; N640-E643 WeakPolarHBondContact O-CB 3.33Å; N640-E643 PolarHBondContact O-N 3.23Å; N640-E643 VanDerWaalsContact O-N 3.13Å; N640-L644 WeakPolarHBondContact O-CB 3.4Å; N640-L644 PolarHBondContact O-N 3.01Å; N640-K667 VanDerWaalsContact CG-NZ 3.26Å; N640-K667 PolarHBondContact OD1-NZ 2.86Å
641	P	76.9	Confident	80	Confident	109 Å²	109	64.5 Å²	64.5	71%	0.708	33%	0.334	S	S	*	.	H	α-helix	trans	-59.4	-33.1	178.1	22.9	-33.8	0	0	0	113.4	H645	P641-H645 PolarHBondContact O-N 2.84Å
642	E	79.4	Confident	79.8	Confident	157 Å²	157	67.5 Å²	67.5	73%	0.734	35%	0.352	S	S	*	.	H	α-helix	trans	-69.6	-42.5	175.4	-63.6	171	-176.8	0	0	112.1	N640 L644 H645 V646	N640-E642 PolarHBondContact O-N 3.03Å; E642-L644 VanDerWaalsContact C-N 3.34Å; E642-H645 PolarHBondContact O-N 3.01Å; E642-V646 WeakPolarHBondContact O-CG2 3.3Å; E642-V646 PolarHBondContact O-N 2.94Å
643	E	82.8	Confident	79.4	Confident	43 Å²	43	67.4 Å²	67.4	20%	0.201	35%	0.354	C	S	.	.	H	α-helix	trans	-64.9	-39.2	175.1	-66.6	164.7	-176.7	0	0	111.4	L639 N640 V646 L647 I663 K667	L639-E643 WeakPolarHBondContact CA-OE2 3.34Å; L639-E643 HydrophobicContact CD2-CB 4.31Å; N640-E643 HydrophobicContact CB-CB 4.3Å; N640-E643 HydrophobicContact CB-CG 3.98Å; N640-E643 PolarHBondContact N-OE2 3.42Å; N640-E643 PolarHBondContact ND2-OE1 2.96Å; N640-E643 WeakPolarHBondContact O-CB 3.33Å; N640-E643 PolarHBondContact O-N 3.23Å; N640-E643 VanDerWaalsContact O-N 3.13Å; E643-V646 PolarHBondContact O-N 3.04Å; E643-L647 WeakPolarHBondContact O-CG 3.28Å; E643-L647 PolarHBondContact O-N 2.04Å; E643-L647 VanDerWaalsContact O-N 3.1Å; E643-I663 HydrophobicContact CB-CD1 4.34Å; E643-I663 HydrophobicContact CB-CG2 4.24Å; E643-I663 HydrophobicContact CG-CG2 3.99Å; E643-K667 IonicContact OE1-NZ 3.63Å; E643-K667 PolarHBondContact OE1-NZ 3.16Å; E643-K667 IonicContact OE2-NZ 2.72Å; E643-K667 PolarHBondContact OE2-NZ 2.7Å
644	L	81.6	Confident	79.1	Confident	47 Å²	47	72.2 Å²	72.2	25%	0.246	38%	0.376	C	S	.	.	H	α-helix	trans	-65.9	-42.9	177.3	-179.4	58	0	0	0	111.3	L636 N640 E642 V646 L647 E648	L636-L644 HydrophobicContact CD2-CD1 3.54Å; L636-L644 HydrophobicContact CD2-CD2 4.02Å; L636-L644 HydrophobicContact CD2-CG 4.46Å; N640-L644 WeakPolarHBondContact O-CB 3.4Å; N640-L644 PolarHBondContact O-N 3.01Å; E642-L644 VanDerWaalsContact C-N 3.34Å; L644-V646 VanDerWaalsContact C-N 3.34Å; L644-V646 PolarHBondContact O-N 2.83Å; L644-L647 CarbonylContact O-C 3.59Å; L644-L647 WeakPolarHBondContact O-CA 3.45Å; L644-L647 WeakPolarHBondContact O-CB 3.44Å; L644-L647 PolarHBondContact O-N 3.42Å; L644-E648 HydrophobicContact CD1-CG 4.44Å; L644-E648 WeakPolarHBondContact O-CG 3.1Å; L644-E648 PolarHBondContact O-N 2.76Å
645	H	77.9	Confident	79.1	Confident	108 Å²	108	75.1 Å²	75.1	50%	0.5	39%	0.392	S	S	.	.	H	α-helix	trans	-60.9	-43.5	176.6	-168.3	30.6	0	0	0	111.7	P641 E642 L647 E648 E649	P641-H645 PolarHBondContact O-N 2.84Å; E642-H645 PolarHBondContact O-N 3.01Å; H645-L647 PolarHBondContact O-N 3.09Å; H645-E648 PolarHBondContact O-N 2.86Å; H645-E649 PolarHBondContact O-N 2.77Å
646	V	81.5	Confident	79.1	Confident	58 Å²	58	77.2 Å²	77.2	35%	0.352	40%	0.401	S	S	.	.	H	α-helix	trans	-61.8	-29.7	173.8	170.5	0	0	0	0	112.5	E642 E643 L644 I650	E642-V646 WeakPolarHBondContact O-CG2 3.3Å; E642-V646 PolarHBondContact O-N 2.94Å; E643-V646 PolarHBondContact O-N 3.04Å; L644-V646 VanDerWaalsContact C-N 3.34Å; L644-V646 PolarHBondContact O-N 2.83Å; V646-I650 WeakPolarHBondContact O-CG1 3.09Å
647	L	81.8	Confident	79.1	Confident	2 Å²	2	74.1 Å²	74.1	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-81.2	-22.4	173	-70.5	166.9	0	0	0	112.9	L639 E643 L644 H645 K656 R659 L660 I663	L639-L647 HydrophobicContact CD1-CD1 3.72Å; L639-L647 HydrophobicContact CD2-CD1 4.01Å; E643-L647 WeakPolarHBondContact O-CG 3.28Å; E643-L647 PolarHBondContact O-N 2.04Å; E643-L647 VanDerWaalsContact O-N 3.1Å; L644-L647 CarbonylContact O-C 3.59Å; L644-L647 WeakPolarHBondContact O-CA 3.45Å; L644-L647 WeakPolarHBondContact O-CB 3.44Å; L644-L647 PolarHBondContact O-N 3.42Å; H645-L647 PolarHBondContact O-N 3.09Å; L647-K656 HydrophobicContact CD2-CG 4.33Å; L647-K656 WeakPolarHBondContact CD2-O 2.7Å; L647-K656 WeakPolarHBondContact O-CD 3.43Å; L647-K656 WeakPolarHBondContact O-CE 3.38Å; L647-K656 WeakPolarHBondContact O-CG 3.36Å; L647-K656 PolarHBondContact O-NZ 3.48Å; L647-R659 HydrophobicContact CD2-CB 3.9Å; L647-R659 HydrophobicContact CD2-CG 3.97Å; L647-L660 HydrophobicContact CD1-CD1 4.09Å; L647-L660 HydrophobicContact CD2-CB 4.17Å; L647-I663 HydrophobicContact CD1-CD1 4Å; L647-I663 HydrophobicContact CD2-CD1 4.19Å; L647-I663 HydrophobicContact CG-CD1 3.98Å
648	E	80.2	Confident	79.4	Confident	123 Å²	123	69.1 Å²	69.1	58%	0.575	36%	0.363	S	S	*	.	H	α-helix	trans	-79.9	-29	174.9	-74.1	176.7	169.5	0	0	112.8	L644 H645 I650	L644-E648 HydrophobicContact CD1-CG 4.44Å; L644-E648 WeakPolarHBondContact O-CG 3.1Å; L644-E648 PolarHBondContact O-N 2.76Å; H645-E648 PolarHBondContact O-N 2.86Å; E648-I650 VanDerWaalsContact C-N 3.29Å; E648-I650 PolarHBondContact O-N 2.87Å
649	E	83.1	Confident	79.6	Confident	138 Å²	138	72.3 Å²	72.3	65%	0.645	37%	0.373	S	S	*	.	S	Bend	trans	-71	-17.3	175.2	-70.4	-169.8	135.8	0	0	114.4	H645 P651	H645-E649 PolarHBondContact O-N 2.77Å; E649-P651 WeakPolarHBondContact O-CD 3.43Å
650	I	80.3	Confident	79.8	Confident	36 Å²	36	71.3 Å²	71.3	19%	0.185	37%	0.368	C	S	.	.			trans	-84.5	116.8	-177.2	-60	168.2	0	0	0	110.4	V646 E648 T652 D655 K656 R659	V646-I650 WeakPolarHBondContact O-CG1 3.09Å; E648-I650 VanDerWaalsContact C-N 3.29Å; E648-I650 PolarHBondContact O-N 2.87Å; I650-T652 WeakPolarHBondContact CG2-O 3.31Å; I650-D655 HydrophobicContact CG2-CB 3.77Å; I650-K656 HydrophobicContact CB-CB 4.15Å; I650-K656 HydrophobicContact CB-CG 4.42Å; I650-K656 HydrophobicContact CG2-CB 3.9Å; I650-R659 HydrophobicContact CD1-CB 3.75Å; I650-R659 HydrophobicContact CD1-CG 3.86Å
651	P	69.1	Low	79.8	Confident	127 Å²	127	67.9 Å²	67.9	83%	0.825	35%	0.349	S	S	*	.			trans	-82.6	-21.8	-175.5	33.8	-36.3	0	0	0	113.5	E649	E649-P651 WeakPolarHBondContact O-CD 3.43Å
652	T	75.9	Confident	80.1	Confident	64 Å²	64	65.6 Å²	65.6	39%	0.393	33%	0.329	S	S	.	.			trans	-94.6	119.9	-176.8	29.5	0	0	0	0	110.3	I650 E654 D655 K656	I650-T652 WeakPolarHBondContact CG2-O 3.31Å; T652-E654 PolarHBondContact O-N 2.9Å; T652-D655 WeakPolarHBondContact CB-OD2 3.47Å; T652-D655 PolarHBondContact O-N 2.75Å; T652-D655 PolarHBondContact OG1-OD2 3.22Å; T652-K656 WeakPolarHBondContact O-CB 3.49Å; T652-K656 PolarHBondContact O-N 2.15Å
653	A	71.8	Confident	80.3	Confident	13 Å²	13	59 Å²	59	11%	0.107	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-27.7	-174.7	0	0	0	0	0	113.2	P625 L628 L657	P625-A653 HydrophobicContact CB-CB 4.2Å; P625-A653 HydrophobicContact CG-CB 4.04Å; L628-A653 HydrophobicContact CD1-CB 3.73Å; A653-L657 WeakPolarHBondContact O-CB 3.47Å; A653-L657 PolarHBondContact O-N 2.94Å
654	E	72.4	Confident	80.3	Confident	117 Å²	117	57 Å²	57	55%	0.547	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-58	171.9	-42.2	-160.4	149	0	0	111.3	L623 T652 K656 L657 D658	L623-E654 HydrophobicContact CB-CG 3.83Å; L623-E654 HydrophobicContact CD1-CB 3.88Å; L623-E654 HydrophobicContact CD1-CG 3.58Å; L623-E654 HydrophobicContact CG-CG 4.25Å; T652-E654 PolarHBondContact O-N 2.9Å; E654-K656 VanDerWaalsContact C-N 3.28Å; E654-K656 PolarHBondContact O-N 3.49Å; E654-L657 PolarHBondContact O-N 3.43Å; E654-D658 PolarHBondContact O-N 3.43Å
655	D	79.4	Confident	80.3	Confident	89 Å²	89	54.8 Å²	54.8	48%	0.476	28%	0.278	S	S	.	.	H	α-helix	trans	-64.9	-33.3	-179.9	-60.1	-57.2	0	0	0	111.8	I650 T652 D658 R659	I650-D655 HydrophobicContact CG2-CB 3.77Å; T652-D655 WeakPolarHBondContact CB-OD2 3.47Å; T652-D655 PolarHBondContact O-N 2.75Å; T652-D655 PolarHBondContact OG1-OD2 3.22Å; D655-D658 PolarHBondContact O-N 3.46Å; D655-R659 VanDerWaalsContact O-CB 3.24Å; D655-R659 WeakPolarHBondContact O-CB 3.2Å; D655-R659 PolarHBondContact O-N 2.83Å
656	K	82.1	Confident	80.4	Confident	43 Å²	43	52.9 Å²	52.9	19%	0.187	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-39.8	176.5	-168.4	-175.7	173.8	120.6	0	111.4	F632 L647 I650 T652 E654 L660	F632-K656 HydrophobicContact CE1-CB 4.46Å; F632-K656 HydrophobicContact CE1-CD 4.03Å; F632-K656 HydrophobicContact CE1-CG 3.68Å; F632-K656 HydrophobicContact CE2-CD 4.03Å; F632-K656 HydrophobicContact CE2-CG 4.39Å; F632-K656 HydrophobicContact CZ-CB 3.99Å; F632-K656 HydrophobicContact CZ-CD 3.69Å; F632-K656 HydrophobicContact CZ-CG 3.56Å; L647-K656 HydrophobicContact CD2-CG 4.33Å; L647-K656 WeakPolarHBondContact CD2-O 2.7Å; L647-K656 WeakPolarHBondContact O-CD 3.43Å; L647-K656 WeakPolarHBondContact O-CE 3.38Å; L647-K656 WeakPolarHBondContact O-CG 3.36Å; L647-K656 PolarHBondContact O-NZ 3.48Å; I650-K656 HydrophobicContact CB-CB 4.15Å; I650-K656 HydrophobicContact CB-CG 4.42Å; I650-K656 HydrophobicContact CG2-CB 3.9Å; T652-K656 WeakPolarHBondContact O-CB 3.49Å; T652-K656 PolarHBondContact O-N 2.15Å; E654-K656 VanDerWaalsContact C-N 3.28Å; E654-K656 PolarHBondContact O-N 3.49Å; K656-L660 WeakPolarHBondContact O-CB 3.37Å; K656-L660 PolarHBondContact O-N 2.9Å; K656-L660 VanDerWaalsContact O-N 3.08Å
657	L	82.6	Confident	80.4	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-70.4	-41.9	173	-178	63.5	0	0	0	111	L618 L623 L628 I631 F632 A653 E654 R659 L660 F661	L618-L657 HydrophobicContact CD2-CB 4.5Å; L618-L657 HydrophobicContact CD2-CD2 3.82Å; L618-L657 HydrophobicContact CD2-CG 4.11Å; L623-L657 HydrophobicContact CD2-CD2 3.61Å; L628-L657 HydrophobicContact CD2-CD2 3.85Å; I631-L657 HydrophobicContact CG2-CD1 4.42Å; F632-L657 HydrophobicContact CZ-CB 4.36Å; A653-L657 WeakPolarHBondContact O-CB 3.47Å; A653-L657 PolarHBondContact O-N 2.94Å; E654-L657 PolarHBondContact O-N 3.43Å; L657-R659 VanDerWaalsContact C-N 3.33Å; L657-R659 PolarHBondContact O-N 3.27Å; L657-L660 HydrophobicContact CD1-CD2 4.35Å; L657-L660 WeakPolarHBondContact O-CB 3.16Å; L657-L660 PolarHBondContact O-N 3.28Å; L657-F661 HydrophobicContact CD1-CD2 4.13Å; L657-F661 HydrophobicContact CD1-CE2 3.89Å; L657-F661 HydrophobicContact CD2-CE2 4.31Å; L657-F661 HydrophobicContact CG-CD2 3.98Å; L657-F661 HydrophobicContact CG-CE2 3.9Å; L657-F661 WeakPolarHBondContact O-CD2 3.41Å; L657-F661 PolarHBondContact O-N 2.77Å
658	D	83.6	Confident	80.2	Confident	41 Å²	41	55.2 Å²	55.2	22%	0.219	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-44	177.1	-164.7	68.4	0	0	0	111.7	K614 L618 E654 D655 L660 F661 E662	K614-D658 VanDerWaalsContact CD-OD1 3.3Å; K614-D658 WeakPolarHBondContact CD-OD1 3.46Å; K614-D658 WeakPolarHBondContact CE-OD1 3.21Å; K614-D658 IonicContact NZ-OD1 2.82Å; K614-D658 PolarHBondContact NZ-OD1 2.69Å; K614-D658 IonicContact NZ-OD2 3.11Å; K614-D658 PolarHBondContact NZ-OD2 2.56Å; L618-D658 HydrophobicContact CD1-CB 4.33Å; L618-D658 WeakPolarHBondContact CD1-OD1 3.34Å; E654-D658 PolarHBondContact O-N 3.43Å; D655-D658 PolarHBondContact O-N 3.46Å; D658-L660 PolarHBondContact O-N 2.65Å; D658-F661 WeakPolarHBondContact O-CB 3.47Å; D658-F661 PolarHBondContact O-N 3.01Å; D658-F661 VanDerWaalsContact O-N 3.16Å; D658-E662 PolarHBondContact O-N 3.29Å
659	R	83.8	Confident	79.9	Confident	106 Å²	106	54 Å²	54	40%	0.4	28%	0.279	S	S	.	.	H	α-helix	trans	-67	-34.6	176.6	-169.6	58.8	170.1	174.6	-1	112.7	L647 I650 D655 L657 E662 I663	L647-R659 HydrophobicContact CD2-CB 3.9Å; L647-R659 HydrophobicContact CD2-CG 3.97Å; I650-R659 HydrophobicContact CD1-CB 3.75Å; I650-R659 HydrophobicContact CD1-CG 3.86Å; D655-R659 VanDerWaalsContact O-CB 3.24Å; D655-R659 WeakPolarHBondContact O-CB 3.2Å; D655-R659 PolarHBondContact O-N 2.83Å; L657-R659 VanDerWaalsContact C-N 3.33Å; L657-R659 PolarHBondContact O-N 3.27Å; R659-E662 IonicContact CZ-OE2 3.73Å; R659-E662 IonicContact NH1-OE2 2.81Å; R659-E662 PolarHBondContact NH1-OE2 3.46Å; R659-E662 PolarHBondContact O-N 2.84Å; R659-I663 HydrophobicContact CG-CD1 4.08Å; R659-I663 WeakPolarHBondContact O-CG1 3.47Å; R659-I663 PolarHBondContact O-N 2.95Å
660	L	85.1	Confident	79.5	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-40.9	171	176.7	63.4	0	0	0	111.4	I631 F632 M635 L639 L647 K656 L657 D658 E662 I663 A664 L675	I631-L660 HydrophobicContact CG2-CD2 4.23Å; F632-L660 HydrophobicContact CD1-CD2 3.68Å; F632-L660 HydrophobicContact CE1-CB 4.15Å; F632-L660 HydrophobicContact CE1-CD2 3.67Å; M635-L660 HydrophobicContact CB-CD1 4.22Å; M635-L660 HydrophobicContact CB-CD2 4.44Å; M635-L660 HydrophobicContact CG-CD1 4.31Å; M635-L660 HydrophobicContact CG-CD2 4.14Å; M635-L660 HydrophobicContact SD-CD1 4.22Å; L639-L660 HydrophobicContact CD1-CD1 4.03Å; L639-L660 HydrophobicContact CD2-CD1 4.04Å; L639-L660 HydrophobicContact CG-CD1 4.48Å; L647-L660 HydrophobicContact CD1-CD1 4.09Å; L647-L660 HydrophobicContact CD2-CB 4.17Å; K656-L660 WeakPolarHBondContact O-CB 3.37Å; K656-L660 PolarHBondContact O-N 2.9Å; K656-L660 VanDerWaalsContact O-N 3.08Å; L657-L660 HydrophobicContact CD1-CD2 4.35Å; L657-L660 WeakPolarHBondContact O-CB 3.16Å; L657-L660 PolarHBondContact O-N 3.28Å; D658-L660 PolarHBondContact O-N 2.65Å; L660-E662 VanDerWaalsContact C-N 3.33Å; L660-E662 PolarHBondContact O-N 2.91Å; L660-I663 PolarHBondContact O-N 3.25Å; L660-A664 VanDerWaalsContact O-CB 3.31Å; L660-A664 WeakPolarHBondContact O-CB 3.48Å; L660-A664 PolarHBondContact O-N 3.34Å; L660-L675 HydrophobicContact CD2-CD1 3.69Å; L660-L675 HydrophobicContact CG-CD1 4Å; L660-L675 HydrophobicContact CG-CD2 4.23Å
661	F	84.2	Confident	79.5	Confident	3 Å²	3	53.4 Å²	53.4	1%	0.013	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-37.6	172.7	-90.7	-73.6	0	0	0	112.8	I609 K614 V617 L657 D658 G665 L675 L676 V679	I609-F661 HydrophobicContact CD1-CD1 3.6Å; I609-F661 HydrophobicContact CD1-CE1 4.01Å; I609-F661 HydrophobicContact CG2-CD1 4.14Å; I609-F661 HydrophobicContact CG2-CE1 4.37Å; K614-F661 HydrophobicContact CD-CB 3.55Å; K614-F661 HydrophobicContact CD-CG 4.11Å; K614-F661 HydrophobicContact CG-CB 3.94Å; K614-F661 HydrophobicContact CG-CD1 4.26Å; K614-F661 HydrophobicContact CG-CD2 4.27Å; K614-F661 HydrophobicContact CG-CG 3.91Å; V617-F661 HydrophobicContact CB-CE2 4.46Å; V617-F661 HydrophobicContact CB-CZ 4.19Å; V617-F661 HydrophobicContact CG1-CE2 3.91Å; V617-F661 HydrophobicContact CG1-CZ 3.89Å; V617-F661 HydrophobicContact CG2-CZ 4.26Å; L657-F661 HydrophobicContact CD1-CD2 4.13Å; L657-F661 HydrophobicContact CD1-CE2 3.89Å; L657-F661 HydrophobicContact CD2-CE2 4.31Å; L657-F661 HydrophobicContact CG-CD2 3.98Å; L657-F661 HydrophobicContact CG-CE2 3.9Å; L657-F661 WeakPolarHBondContact O-CD2 3.41Å; L657-F661 PolarHBondContact O-N 2.77Å; D658-F661 WeakPolarHBondContact O-CB 3.47Å; D658-F661 PolarHBondContact O-N 3.01Å; D658-F661 VanDerWaalsContact O-N 3.16Å; F661-G665 WeakPolarHBondContact O-CA 3.47Å; F661-G665 PolarHBondContact O-N 2.85Å; F661-L675 HydrophobicContact CB-CD2 4.35Å; F661-L675 HydrophobicContact CD1-CD2 3.49Å; F661-L675 VanDerWaalsContact CD1-CD2 3.49Å; F661-L675 HydrophobicContact CD1-CG 4.35Å; F661-L675 HydrophobicContact CD2-CD2 4.3Å; F661-L675 HydrophobicContact CE1-CD2 3.71Å; F661-L675 HydrophobicContact CE1-CG 4.06Å; F661-L675 HydrophobicContact CE2-CD2 4.48Å; F661-L675 HydrophobicContact CG-CD2 3.8Å; F661-L675 HydrophobicContact CZ-CD2 4.2Å; F661-L675 HydrophobicContact CZ-CG 4.29Å; F661-L676 HydrophobicContact CE1-CD2 3.91Å; F661-L676 HydrophobicContact CZ-CD2 4.47Å; F661-V679 HydrophobicContact CZ-CG2 4.16Å
662	E	83.8	Confident	80	Confident	61 Å²	61	47.4 Å²	47.4	29%	0.285	24%	0.236	S	C	.	.	H	α-helix	trans	-66	-47.8	173.9	-65.3	-164.2	136.7	0	0	112.2	L602 D658 R659 L660 V666	L602-E662 HydrophobicContact CD2-CG 4.41Å; D658-E662 PolarHBondContact O-N 3.29Å; R659-E662 IonicContact CZ-OE2 3.73Å; R659-E662 IonicContact NH1-OE2 2.81Å; R659-E662 PolarHBondContact NH1-OE2 3.46Å; R659-E662 PolarHBondContact O-N 2.84Å; L660-E662 VanDerWaalsContact C-N 3.33Å; L660-E662 PolarHBondContact O-N 2.91Å; E662-V666 PolarHBondContact O-N 3.34Å
663	I	83.8	Confident	80.2	Confident	19 Å²	19	46.8 Å²	46.8	10%	0.097	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-56.8	-178.2	-65.9	162.6	0	0	0	110.6	L639 E643 L647 R659 L660 G665 V666 K667	L639-I663 HydrophobicContact CD2-CG2 3.7Å; E643-I663 HydrophobicContact CB-CD1 4.34Å; E643-I663 HydrophobicContact CB-CG2 4.24Å; E643-I663 HydrophobicContact CG-CG2 3.99Å; L647-I663 HydrophobicContact CD1-CD1 4Å; L647-I663 HydrophobicContact CD2-CD1 4.19Å; L647-I663 HydrophobicContact CG-CD1 3.98Å; R659-I663 HydrophobicContact CG-CD1 4.08Å; R659-I663 WeakPolarHBondContact O-CG1 3.47Å; R659-I663 PolarHBondContact O-N 2.95Å; L660-I663 PolarHBondContact O-N 3.25Å; I663-G665 PolarHBondContact O-N 3.44Å; I663-V666 PolarHBondContact O-N 3.17Å; I663-K667 VanDerWaalsContact O-CB 3.28Å; I663-K667 WeakPolarHBondContact O-CB 3.32Å; I663-K667 PolarHBondContact O-N 3.35Å; I663-K667 VanDerWaalsContact O-N 3.1Å
664	A	82.5	Confident	80.6	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-29.6	-179.8	0	0	0	0	0	112.2	M635 L660 S672 L675	M635-A664 HydrophobicContact SD-CB 4.29Å; L660-A664 VanDerWaalsContact O-CB 3.31Å; L660-A664 WeakPolarHBondContact O-CB 3.48Å; L660-A664 PolarHBondContact O-N 3.34Å; A664-S672 PolarHBondContact O-N 3.3Å; A664-L675 HydrophobicContact CB-CB 4.26Å; A664-L675 HydrophobicContact CB-CD2 3.81Å
665	G	81.3	Confident	81.2	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-42.4	176.3	0	0	0	0	0	113.4	S607 F608 F661 I663	S607-G665 CarbonylContact C-O 3.56Å; S607-G665 WeakPolarHBondContact CA-O 3.11Å; F608-G665 WeakPolarHBondContact CD2-O 3.26Å; F608-G665 PolarHBondContact N-O 3.41Å; F661-G665 WeakPolarHBondContact O-CA 3.47Å; F661-G665 PolarHBondContact O-N 2.85Å; I663-G665 PolarHBondContact O-N 3.44Å
666	V	80.9	Confident	81.4	Confident	68 Å²	68	38.9 Å²	38.9	41%	0.412	19%	0.191	S	C	.	.	H	α-helix	trans	-90	-16.5	179.7	-57	0	0	0	0	114	N605 E662 I663	N605-V666 HydrophobicContact CB-CG1 3.99Å; N605-V666 WeakPolarHBondContact O-CG1 3.29Å; E662-V666 PolarHBondContact O-N 3.34Å; I663-V666 PolarHBondContact O-N 3.17Å
667	K	80.3	Confident	81.3	Confident	67 Å²	67	40.9 Å²	40.9	29%	0.291	20%	0.203	S	C	.	.	H	α-helix	trans	-74.9	-51.6	-169.7	-168.2	166	-165.3	174.3	0	114.3	I638 N640 E643 I663 A671	I638-K667 WeakPolarHBondContact O-CE 3.46Å; I638-K667 PolarHBondContact O-NZ 3.27Å; N640-K667 VanDerWaalsContact CG-NZ 3.26Å; N640-K667 PolarHBondContact OD1-NZ 2.86Å; E643-K667 IonicContact OE1-NZ 3.63Å; E643-K667 PolarHBondContact OE1-NZ 3.16Å; E643-K667 IonicContact OE2-NZ 2.72Å; E643-K667 PolarHBondContact OE2-NZ 2.7Å; I663-K667 VanDerWaalsContact O-CB 3.28Å; I663-K667 WeakPolarHBondContact O-CB 3.32Å; I663-K667 PolarHBondContact O-N 3.35Å; I663-K667 VanDerWaalsContact O-N 3.1Å; K667-A671 HydrophobicContact CB-CB 4.38Å
668	S	78.1	Confident	81.2	Confident	43 Å²	43	41.1 Å²	41.1	30%	0.301	21%	0.205	S	C	.	.			trans	-165.3	161.4	171.3	76.2	0	0	0	0	111.8	F608 E670 A671 S672	F608-S668 VanDerWaalsContact CD2-C 3.47Å; S668-E670 VanDerWaalsContact C-N 3.26Å; S668-E670 PolarHBondContact O-N 3.1Å; S668-E670 PolarHBondContact OG-N 2.89Å; S668-A671 PolarHBondContact O-N 3.28Å; S668-A671 WeakPolarHBondContact OG-CB 3.37Å; S668-A671 PolarHBondContact OG-N 3.43Å; S668-S672 PolarHBondContact O-N 3.39Å
669	Q	74.7	Confident	81.1	Confident	98 Å²	98	39.2 Å²	39.2	46%	0.458	20%	0.195	S	C	.	.	H	α-helix	trans	-59.4	-39.1	173.1	-173	172.6	-11.4	0	0	111.5	F608 S672 Q673	F608-Q669 HydrophobicContact CD1-CB 3.87Å; F608-Q669 HydrophobicContact CD1-CG 4.25Å; F608-Q669 HydrophobicContact CE1-CB 3.96Å; F608-Q669 HydrophobicContact CG-CB 4.18Å; F608-Q669 HydrophobicContact CZ-CB 4.36Å; Q669-S672 WeakPolarHBondContact CA-OG 3.28Å; Q669-S672 PolarHBondContact O-N 2.95Å; Q669-S672 PolarHBondContact O-OG 2.68Å; Q669-Q673 WeakPolarHBondContact O-CB 3.37Å; Q669-Q673 PolarHBondContact O-N 2.93Å
670	E	74.1	Confident	80.8	Confident	158 Å²	158	39 Å²	39	74%	0.738	20%	0.195	S	C	*	.	H	α-helix	trans	-67	-40.5	177.5	-61.5	179.5	161.9	0	0	112.3	S668 Q673 T674	S668-E670 VanDerWaalsContact C-N 3.26Å; S668-E670 PolarHBondContact O-N 3.1Å; S668-E670 PolarHBondContact OG-N 2.89Å; E670-Q673 PolarHBondContact O-N 3.46Å; E670-T674 WeakPolarHBondContact O-CB 3.23Å; E670-T674 PolarHBondContact O-N 2.88Å; E670-T674 PolarHBondContact O-OG1 3.38Å
671	A	79.4	Confident	80.3	Confident	2 Å²	2	42.5 Å²	42.5	2%	0.017	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-47	173.7	0	0	0	0	0	111.1	I638 K667 S668 Q673 T674 L675	I638-A671 HydrophobicContact CG2-CB 3.49Å; I638-A671 VanDerWaalsContact CG2-CB 3.49Å; K667-A671 HydrophobicContact CB-CB 4.38Å; S668-A671 PolarHBondContact O-N 3.28Å; S668-A671 WeakPolarHBondContact OG-CB 3.37Å; S668-A671 PolarHBondContact OG-N 3.43Å; A671-Q673 PolarHBondContact O-N 2.89Å; A671-T674 PolarHBondContact O-N 2.87Å; A671-L675 PolarHBondContact O-N 2.9Å
672	S	80.6	Confident	79.8	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-40.7	178.8	76.4	0	0	0	0	113.1	F608 A664 S668 Q669 L676	F608-S672 WeakPolarHBondContact CB-OG 3.04Å; A664-S672 PolarHBondContact O-N 3.3Å; S668-S672 PolarHBondContact O-N 3.39Å; Q669-S672 WeakPolarHBondContact CA-OG 3.28Å; Q669-S672 PolarHBondContact O-N 2.95Å; Q669-S672 PolarHBondContact O-OG 2.68Å; S672-L676 WeakPolarHBondContact O-CD1 3.32Å; S672-L676 VanDerWaalsContact O-CG 3.28Å; S672-L676 WeakPolarHBondContact O-CG 3.41Å; S672-L676 PolarHBondContact O-N 2.74Å
673	Q	79.5	Confident	79.1	Confident	52 Å²	52	42.2 Å²	42.2	24%	0.243	22%	0.219	C	C	.	.	H	α-helix	trans	-68.8	-41.6	176.5	-173.5	63	39.6	0	0	111	C592 Q669 E670 A671 L675 L676 D677	C592-Q673 PolarHBondContact SG-OE1 3.29Å; C592-Q673 VanDerWaalsContact SG-OE1 3.39Å; Q669-Q673 WeakPolarHBondContact O-CB 3.37Å; Q669-Q673 PolarHBondContact O-N 2.93Å; E670-Q673 PolarHBondContact O-N 3.46Å; A671-Q673 PolarHBondContact O-N 2.89Å; Q673-L675 PolarHBondContact O-N 3.42Å; Q673-L676 PolarHBondContact O-N 2.88Å; Q673-D677 VanDerWaalsContact NE2-CG 3.35Å; Q673-D677 PolarHBondContact NE2-OD1 3.33Å; Q673-D677 PolarHBondContact NE2-OD2 2.99Å; Q673-D677 WeakPolarHBondContact O-CB 3.4Å; Q673-D677 PolarHBondContact O-N 3.23Å
674	T	81	Confident	78	Confident	49 Å²	49	46 Å²	46	30%	0.301	24%	0.244	S	C	.	.	H	α-helix	trans	-65.7	-38.4	179.8	-52.8	0	0	0	0	112.2	M635 I638 E670 A671 S678	M635-T674 HydrophobicContact CE-CG2 3.82Å; I638-T674 HydrophobicContact CD1-CG2 3.79Å; E670-T674 WeakPolarHBondContact O-CB 3.23Å; E670-T674 PolarHBondContact O-N 2.88Å; E670-T674 PolarHBondContact O-OG1 3.38Å; A671-T674 PolarHBondContact O-N 2.87Å; T674-S678 WeakPolarHBondContact O-CB 3.28Å; T674-S678 PolarHBondContact O-N 2.93Å
675	L	84.6	Confident	76.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59	-51	171.6	178.6	54.9	0	0	0	111	I609 I631 M635 L660 F661 A664 A671 Q673 S678 V679	I609-L675 HydrophobicContact CD1-CD2 4.06Å; I631-L675 HydrophobicContact CG2-CD1 3.69Å; M635-L675 HydrophobicContact CE-CB 4.41Å; M635-L675 HydrophobicContact CG-CD1 4.04Å; M635-L675 HydrophobicContact SD-CB 3.55Å; M635-L675 VanDerWaalsContact SD-CB 3.55Å; M635-L675 HydrophobicContact SD-CD1 3.82Å; M635-L675 HydrophobicContact SD-CG 4.18Å; L660-L675 HydrophobicContact CD2-CD1 3.69Å; L660-L675 HydrophobicContact CG-CD1 4Å; L660-L675 HydrophobicContact CG-CD2 4.23Å; F661-L675 HydrophobicContact CB-CD2 4.35Å; F661-L675 HydrophobicContact CD1-CD2 3.49Å; F661-L675 VanDerWaalsContact CD1-CD2 3.49Å; F661-L675 HydrophobicContact CD1-CG 4.35Å; F661-L675 HydrophobicContact CD2-CD2 4.3Å; F661-L675 HydrophobicContact CE1-CD2 3.71Å; F661-L675 HydrophobicContact CE1-CG 4.06Å; F661-L675 HydrophobicContact CE2-CD2 4.48Å; F661-L675 HydrophobicContact CG-CD2 3.8Å; F661-L675 HydrophobicContact CZ-CD2 4.2Å; F661-L675 HydrophobicContact CZ-CG 4.29Å; A664-L675 HydrophobicContact CB-CB 4.26Å; A664-L675 HydrophobicContact CB-CD2 3.81Å; A671-L675 PolarHBondContact O-N 2.9Å; Q673-L675 PolarHBondContact O-N 3.42Å; L675-S678 PolarHBondContact O-N 3.42Å; L675-V679 HydrophobicContact CD1-CG2 4.14Å; L675-V679 WeakPolarHBondContact O-CB 3.42Å; L675-V679 VanDerWaalsContact O-CG2 3.31Å; L675-V679 WeakPolarHBondContact O-CG2 3.23Å; L675-V679 PolarHBondContact O-N 2.95Å
676	L	82.8	Confident	75.9	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-44.2	-178	-71.5	168.6	0	0	0	112	I609 K613 F661 S672 Q673 S678 V679 Y680	I609-L676 HydrophobicContact CD1-CG 4.45Å; I609-L676 HydrophobicContact CG1-CD1 4.35Å; K613-L676 HydrophobicContact CD-CD1 4.04Å; K613-L676 HydrophobicContact CD-CD2 4.11Å; K613-L676 HydrophobicContact CG-CD2 4.23Å; F661-L676 HydrophobicContact CE1-CD2 3.91Å; F661-L676 HydrophobicContact CZ-CD2 4.47Å; S672-L676 WeakPolarHBondContact O-CD1 3.32Å; S672-L676 VanDerWaalsContact O-CG 3.28Å; S672-L676 WeakPolarHBondContact O-CG 3.41Å; S672-L676 PolarHBondContact O-N 2.74Å; Q673-L676 PolarHBondContact O-N 2.88Å; L676-S678 VanDerWaalsContact C-N 3.32Å; L676-S678 PolarHBondContact O-N 3.25Å; L676-V679 PolarHBondContact O-N 2.93Å; L676-Y680 HydrophobicContact CB-CD2 4.36Å; L676-Y680 HydrophobicContact CB-CE2 4.31Å; L676-Y680 HydrophobicContact CD2-CE2 4.27Å; L676-Y680 WeakPolarHBondContact O-CB 3.4Å; L676-Y680 WeakPolarHBondContact O-CD2 3.37Å; L676-Y680 PolarHBondContact O-N 2.88Å
677	D	80.5	Confident	74.7	Confident	84 Å²	84	51.4 Å²	51.4	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-63.9	-37.5	177.7	-74.1	-12.9	0	0	0	111.8	Q673 S681	Q673-D677 VanDerWaalsContact NE2-CG 3.35Å; Q673-D677 PolarHBondContact NE2-OD1 3.33Å; Q673-D677 PolarHBondContact NE2-OD2 2.99Å; Q673-D677 WeakPolarHBondContact O-CB 3.4Å; Q673-D677 PolarHBondContact O-N 3.23Å; D677-S681 VanDerWaalsContact O-CB 3.24Å; D677-S681 WeakPolarHBondContact O-CB 3.34Å; D677-S681 PolarHBondContact O-N 2.96Å; D677-S681 PolarHBondContact O-OG 3.09Å
678	S	81.1	Confident	74.5	Confident	7 Å²	7	50.6 Å²	50.6	5%	0.049	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-52.6	172.9	-173.9	0	0	0	0	111.1	T674 L675 L676 Y680 S681 H682	T674-S678 WeakPolarHBondContact O-CB 3.28Å; T674-S678 PolarHBondContact O-N 2.93Å; L675-S678 PolarHBondContact O-N 3.42Å; L676-S678 VanDerWaalsContact C-N 3.32Å; L676-S678 PolarHBondContact O-N 3.25Å; S678-Y680 PolarHBondContact O-N 3.43Å; S678-S681 PolarHBondContact O-N 3.05Å; S678-S681 VanDerWaalsContact O-N 3.08Å; S678-S681 PolarHBondContact O-OG 3.36Å; S678-H682 PolarHBondContact O-CD2 2.89Å; S678-H682 PolarHBondContact O-N 3.42Å
679	V	81.1	Confident	74.3	Confident	1 Å²	1	51 Å²	51	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-54.6	-49.7	176.5	167.3	0	0	0	0	111.7	V617 I631 F661 L675 L676 S681 H682 L683	V617-V679 HydrophobicContact CG1-CG1 3.65Å; V617-V679 HydrophobicContact CG2-CG1 4.02Å; I631-V679 HydrophobicContact CD1-CG2 3.88Å; I631-V679 HydrophobicContact CG1-CG2 4.27Å; I631-V679 HydrophobicContact CG2-CG2 3.96Å; F661-V679 HydrophobicContact CZ-CG2 4.16Å; L675-V679 HydrophobicContact CD1-CG2 4.14Å; L675-V679 WeakPolarHBondContact O-CB 3.42Å; L675-V679 VanDerWaalsContact O-CG2 3.31Å; L675-V679 WeakPolarHBondContact O-CG2 3.23Å; L675-V679 PolarHBondContact O-N 2.95Å; L676-V679 PolarHBondContact O-N 2.93Å; V679-S681 VanDerWaalsContact C-N 3.3Å; V679-S681 PolarHBondContact O-N 3.34Å; V679-H682 CarbonylContact O-C 3.44Å; V679-H682 PolarHBondContact O-N 2.89Å; V679-L683 PolarHBondContact O-N 2.98Å
680	Y	77.4	Confident	74.2	Confident	100 Å²	100	48.4 Å²	48.4	39%	0.392	26%	0.257	S	S	.	.	H	α-helix	trans	-67.1	-29.1	178.5	-74.7	-61.2	0	0	0	113	K613 L676 S678 L683	K613-Y680 WeakPolarHBondContact CE-OH 3.45Å; L676-Y680 HydrophobicContact CB-CD2 4.36Å; L676-Y680 HydrophobicContact CB-CE2 4.31Å; L676-Y680 HydrophobicContact CD2-CE2 4.27Å; L676-Y680 WeakPolarHBondContact O-CB 3.4Å; L676-Y680 WeakPolarHBondContact O-CD2 3.37Å; L676-Y680 PolarHBondContact O-N 2.88Å; S678-Y680 PolarHBondContact O-N 3.43Å; Y680-L683 HydrophobicContact CD1-CD2 4.15Å
681	S	75.1	Confident	74.3	Confident	74 Å²	74	41.9 Å²	41.9	52%	0.517	23%	0.229	S	C	.	.	H	α-helix	trans	-74.7	-26.9	175.7	75	0	0	0	0	113.9	D677 S678 V679	D677-S681 VanDerWaalsContact O-CB 3.24Å; D677-S681 WeakPolarHBondContact O-CB 3.34Å; D677-S681 PolarHBondContact O-N 2.96Å; D677-S681 PolarHBondContact O-OG 3.09Å; S678-S681 PolarHBondContact O-N 3.05Å; S678-S681 VanDerWaalsContact O-N 3.08Å; S678-S681 PolarHBondContact O-OG 3.36Å; V679-S681 VanDerWaalsContact C-N 3.3Å; V679-S681 PolarHBondContact O-N 3.34Å
682	H	72.5	Confident	73.9	Confident	29 Å²	29	44.4 Å²	44.4	13%	0.134	24%	0.242	C	C	.	.	H	α-helix	trans	-97.1	-8.3	175.6	-71.4	-66	0	0	0	113.6	I631 S678 V679 P684 D685 L686	I631-H682 HydrophobicContact CG1-CB 4.46Å; S678-H682 PolarHBondContact O-CD2 2.89Å; S678-H682 PolarHBondContact O-N 3.42Å; V679-H682 CarbonylContact O-C 3.44Å; V679-H682 PolarHBondContact O-N 2.89Å; H682-P684 VanDerWaalsContact C-N 3.29Å; H682-P684 VanDerWaalsContact O-N 3.1Å; H682-D685 PolarHBondContact O-N 3.35Å; H682-L686 HydrophobicContact CB-CD1 3.98Å; H682-L686 WeakPolarHBondContact O-CG 3.34Å; H682-L686 PolarHBondContact O-N 3.3Å
683	L	69.5	Low	73.5	Confident	30 Å²	30	47.3 Å²	47.3	16%	0.157	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-49.1	-36.8	-179.3	-161.6	70.6	0	0	0	115.2	V621 V679 Y680 D685 L686 L687	V621-L683 HydrophobicContact CG2-CD1 4.05Å; V679-L683 PolarHBondContact O-N 2.98Å; Y680-L683 HydrophobicContact CD1-CD2 4.15Å; L683-D685 PolarHBondContact O-N 2.99Å; L683-L686 PolarHBondContact O-N 2.69Å; L683-L686 VanDerWaalsContact O-N 3.12Å; L683-L687 HydrophobicContact CD2-CD1 4.28Å; L683-L687 HydrophobicContact CG-CD1 3.85Å; L683-L687 HydrophobicContact CG-CG 4.26Å; L683-L687 WeakPolarHBondContact O-CG 3.44Å; L683-L687 PolarHBondContact O-N 3.11Å
684	P	61.7	Low	73.1	Confident	97 Å²	97	47 Å²	47	63%	0.63	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-68.2	-14.6	176.1	-20.9	34.7	0	0	0	115.6	H682	H682-P684 VanDerWaalsContact C-N 3.29Å; H682-P684 VanDerWaalsContact O-N 3.1Å
685	D	58.2	Low	72.5	Confident	57 Å²	57	46.8 Å²	46.8	31%	0.305	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-99.8	-8.8	174.1	-64.7	-18.2	0	0	0	111.7	R148 H682 L683	R148-D685 IonicContact CZ-OD1 2.68Å; R148-D685 IonicContact CZ-OD2 3.97Å; R148-D685 IonicContact NE-OD1 3.49Å; R148-D685 IonicContact NE-OD2 3.65Å; R148-D685 PolarHBondContact NE-OD2 3.21Å; R148-D685 IonicContact NH1-OD1 2.66Å; R148-D685 PolarHBondContact NH1-OD1 3.35Å; R148-D685 IonicContact NH1-OD2 3.56Å; R148-D685 IonicContact NH2-OD1 3.88Å; R148-D685 PolarHBondContact NH2-OD1 3.4Å; R148-D685 IonicContact NH2-OD2 3.95Å; R148-D685 PolarHBondContact NH2-OD2 3.43Å; H682-D685 PolarHBondContact O-N 3.35Å; L683-D685 PolarHBondContact O-N 2.99Å
686	L	59.8	Low	71.4	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	28%	0.277	C	S	.	.			trans	-106.9	6.5	-177.6	-65.2	170.7	0	0	0	112.4	V621 R622 D627 L628 I631 H682 L683	V621-L686 CarbonylContact C-O 3.46Å; V621-L686 WeakPolarHBondContact CA-O 3.36Å; V621-L686 HydrophobicContact CB-CB 4.43Å; V621-L686 HydrophobicContact CG1-CB 4.01Å; V621-L686 HydrophobicContact CG1-CD1 4.33Å; V621-L686 HydrophobicContact CG1-CD2 4Å; V621-L686 HydrophobicContact CG1-CG 4.34Å; V621-L686 HydrophobicContact CG2-CB 4.09Å; V621-L686 HydrophobicContact CG2-CD1 4.19Å; R622-L686 PolarHBondContact N-O 3.06Å; D627-L686 HydrophobicContact CB-CD2 3.92Å; L628-L686 HydrophobicContact CD2-CD2 4Å; L628-L686 HydrophobicContact CG-CD2 4.48Å; I631-L686 HydrophobicContact CD1-CD1 3.69Å; H682-L686 HydrophobicContact CB-CD1 3.98Å; H682-L686 WeakPolarHBondContact O-CG 3.34Å; H682-L686 PolarHBondContact O-N 3.3Å; L683-L686 PolarHBondContact O-N 2.69Å; L683-L686 VanDerWaalsContact O-N 3.12Å
687	L	57.6	Low	70.4	Confident	125 Å²	125	55 Å²	55	65%	0.654	30%	0.3	S	S	*	.			trans	-114.8	0	-178.7	-79.2	168.3	0	0	0	111	Q620 R622 L683	Q620-L687 VanDerWaalsContact O-CD2 3.29Å; Q620-L687 WeakPolarHBondContact O-CD2 3.37Å; R622-L687 WeakPolarHBondContact CD-O 3.22Å; R622-L687 PolarHBondContact NH1-O 2.97Å; L683-L687 HydrophobicContact CD2-CD1 4.28Å; L683-L687 HydrophobicContact CG-CD1 3.85Å; L683-L687 HydrophobicContact CG-CG 4.26Å; L683-L687 WeakPolarHBondContact O-CG 3.44Å; L683-L687 PolarHBondContact O-N 3.11Å

Retrieved 687 of 687 residues in 1172.1 ms (Link to these results)

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