G4VRU2_SCHMA Loading...

Putative arginine/serine-rich splicing factor

AlphaFold DB , UniProt , Accession G4VRU2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 298 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	60.8	Low	78.4	Confident	198 Å²	198	91.7 Å²	91.7	98%	0.975	42%	0.423	S	S	*	.				0	101	0	-66.9	-45.8	178	0	0	109.1
2	P	75.6	Confident	79.5	Confident	27 Å²	27	89.6 Å²	89.6	18%	0.175	41%	0.408	C	S	.	.			trans	-56.5	151.8	170	24.7	-35.1	0	0	0	111	Y11 A57 H81	P2-Y11 HydrophobicContact CB-CD1 3.81Å; P2-Y11 HydrophobicContact CB-CE1 4.48Å; P2-Y11 HydrophobicContact CB-CG 4.48Å; P2-Y11 HydrophobicContact CG-CD1 4.37Å; P2-A57 HydrophobicContact CG-CB 3.68Å; P2-H81 WeakPolarHBondContact CA-ND1 3.17Å; P2-H81 WeakPolarHBondContact CB-ND1 3.35Å
3	K	75.6	Confident	80.5	Confident	121 Å²	121	82.7 Å²	82.7	53%	0.526	38%	0.377	S	S	.	.			trans	-113.7	133.4	172.2	-69.8	173.2	-176	163.2	0	108.5	D5	K3-D5 PolarHBondContact O-N 2.78Å
4	Y	82.3	Confident	81.3	Confident	98 Å²	98	80.4 Å²	80.4	38%	0.384	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	116.7	172.7	-170.1	-103.9	0	0	0	109.2	R6 N9 Y11	Y4-R6 HydrophobicContact CD1-CG 4.18Å; Y4-R6 HydrophobicContact CE1-CG 4.37Å; Y4-N9 WeakPolarHBondContact CE2-O 3.35Å; Y4-N9 VanDerWaalsContact CZ-C 3.45Å; Y4-N9 PolarHBondContact OH-O 3Å; Y4-N9 PolarHBondContact OH-OD1 2.93Å; Y4-N9 VanDerWaalsContact OH-OD1 3.08Å; Y4-Y11 HydrophobicContact CD2-CD1 4.35Å; Y4-Y11 HydrophobicContact CD2-CD2 4.07Å; Y4-Y11 HydrophobicContact CD2-CE1 4.02Å; Y4-Y11 AromaticContact CD2-CE2 3.68Å; Y4-Y11 HydrophobicContact CD2-CE2 3.68Å; Y4-Y11 HydrophobicContact CD2-CG 4.42Å; Y4-Y11 AromaticContact CD2-CZ 3.67Å; Y4-Y11 HydrophobicContact CE2-CE2 4.3Å; Y4-Y11 HydrophobicContact CG-CE1 4.39Å
5	D	79.2	Confident	81.9	Confident	8 Å²	8	75.1 Å²	75.1	4%	0.043	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	100.8	178.4	-167.5	9.9	0	0	0	109.6	K3 Q7 A8 N9 G10 R12 N84	K3-D5 PolarHBondContact O-N 2.78Å; D5-Q7 PolarHBondContact O-N 2.68Å; D5-A8 HydrophobicContact CB-CB 4.4Å; D5-A8 CarbonylContact O-C 3.55Å; D5-A8 PolarHBondContact O-N 2.76Å; D5-N9 PolarHBondContact O-N 3.23Å; D5-G10 PolarHBondContact N-O 2.96Å; D5-R12 HydrophobicContact CB-CB 4.34Å; D5-N84 PolarHBondContact OD1-ND2 3.19Å
6	R	78.5	Confident	82.5	Confident	221 Å²	221	70.9 Å²	70.9	83%	0.834	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.9	-178.9	-61.9	-176.9	-176	177.4	-1.7	114	Y4	Y4-R6 HydrophobicContact CD1-CG 4.18Å; Y4-R6 HydrophobicContact CE1-CG 4.37Å
7	Q	76.9	Confident	82.8	Confident	126 Å²	126	68.9 Å²	68.9	59%	0.589	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-21.2	174.8	-79.4	161.5	66.7	0	0	113.4	D5 K86	D5-Q7 PolarHBondContact O-N 2.68Å; Q7-K86 VanDerWaalsContact OE1-CD 3.29Å
8	A	73.8	Confident	83	Confident	29 Å²	29	65.6 Å²	65.6	24%	0.24	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	0.2	176.6	0	0	0	0	0	112.3	D5 G10 V53	D5-A8 HydrophobicContact CB-CB 4.4Å; D5-A8 CarbonylContact O-C 3.55Å; D5-A8 PolarHBondContact O-N 2.76Å; A8-G10 PolarHBondContact O-N 3.42Å; A8-G10 VanDerWaalsContact O-N 3.08Å; A8-V53 HydrophobicContact CB-CB 4.48Å; A8-V53 HydrophobicContact CB-CG1 3.8Å; A8-V53 HydrophobicContact CB-CG2 3.8Å; A8-V53 WeakPolarHBondContact O-CG1 3.41Å
9	N	82.3	Confident	83.2	Confident	123 Å²	123	64.3 Å²	64.3	66%	0.658	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	25.8	-175.5	-150.7	52.4	0	0	0	114.9	Y4 D5	Y4-N9 WeakPolarHBondContact CE2-O 3.35Å; Y4-N9 VanDerWaalsContact CZ-C 3.45Å; Y4-N9 PolarHBondContact OH-O 3Å; Y4-N9 PolarHBondContact OH-OD1 2.93Å; Y4-N9 VanDerWaalsContact OH-OD1 3.08Å; D5-N9 PolarHBondContact O-N 3.23Å
10	G	87.8	Confident	83.2	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	-168	-171.8	0	0	0	0	0	113.8	D5 A8 F54	D5-G10 PolarHBondContact N-O 2.96Å; A8-G10 PolarHBondContact O-N 3.42Å; A8-G10 VanDerWaalsContact O-N 3.08Å; G10-F54 WeakPolarHBondContact CA-O 3.38Å
11	Y	89.8	Confident	83.2	Confident	58 Å²	58	74.3 Å²	74.3	23%	0.227	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	102.3	-179	-64.1	-82.7	0	0	0	110.3	P2 Y4 F54 A57	P2-Y11 HydrophobicContact CB-CD1 3.81Å; P2-Y11 HydrophobicContact CB-CE1 4.48Å; P2-Y11 HydrophobicContact CB-CG 4.48Å; P2-Y11 HydrophobicContact CG-CD1 4.37Å; Y4-Y11 HydrophobicContact CD2-CD1 4.35Å; Y4-Y11 HydrophobicContact CD2-CD2 4.07Å; Y4-Y11 HydrophobicContact CD2-CE1 4.02Å; Y4-Y11 AromaticContact CD2-CE2 3.68Å; Y4-Y11 HydrophobicContact CD2-CE2 3.68Å; Y4-Y11 HydrophobicContact CD2-CG 4.42Å; Y4-Y11 AromaticContact CD2-CZ 3.67Å; Y4-Y11 HydrophobicContact CE2-CE2 4.3Å; Y4-Y11 HydrophobicContact CG-CE1 4.39Å; Y11-F54 PolarHBondContact N-O 2.85Å; Y11-F54 PolarHBondContact O-N 3.16Å; Y11-A57 HydrophobicContact CD1-CB 4.1Å; Y11-A57 HydrophobicContact CD2-CB 4.22Å; Y11-A57 HydrophobicContact CE1-CB 3.75Å; Y11-A57 HydrophobicContact CE2-CB 3.9Å; Y11-A57 VanDerWaalsContact CE2-N 3.26Å; Y11-A57 HydrophobicContact CG-CB 4.29Å
12	R	91.4	Very high	84.4	Confident	66 Å²	66	65.5 Å²	65.5	25%	0.249	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	126.6	-174.3	-169.1	178.6	174.4	154.4	3.6	111.4	D5 F51 I52 V53 A82	D5-R12 HydrophobicContact CB-CB 4.34Å; R12-F51 HydrophobicContact CG-CB 4.35Å; R12-F51 HydrophobicContact CG-CD1 4Å; R12-F51 VanDerWaalsContact NH2-CD2 3.28Å; R12-I52 CarbonylContact C-O 3.56Å; R12-I52 WeakPolarHBondContact CA-O 3.36Å; R12-V53 HydrophobicContact CG-CG2 4.42Å; R12-A82 HydrophobicContact CB-CB 4.01Å; R12-A82 HydrophobicContact CG-CB 3.72Å; R12-A82 VanDerWaalsContact O-CB 3.24Å; R12-A82 WeakPolarHBondContact O-CB 3.43Å; R12-A82 PolarHBondContact O-N 2.69Å
13	V	92.4	Very high	84.9	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.4	172.3	175.9	0	0	0	0	108.5	V15 F51 I52 F54 A60 V64 V79	V13-V15 HydrophobicContact CG1-CG2 4.46Å; V13-F51 VanDerWaalsContact O-CA 3.25Å; V13-F51 WeakPolarHBondContact O-CA 3.3Å; V13-F51 WeakPolarHBondContact O-CD1 3.29Å; V13-I52 PolarHBondContact N-O 2.77Å; V13-I52 PolarHBondContact O-N 2.68Å; V13-F54 HydrophobicContact CB-CE2 4.44Å; V13-F54 HydrophobicContact CG2-CD2 3.86Å; V13-F54 HydrophobicContact CG2-CE2 4Å; V13-A60 HydrophobicContact CG2-CB 3.72Å; V13-V64 HydrophobicContact CG1-CG2 3.88Å; V13-V64 HydrophobicContact CG2-CG2 4.09Å; V13-V79 HydrophobicContact CG1-CG1 3.41Å; V13-V79 VanDerWaalsContact CG1-CG1 3.41Å
14	F	91.6	Very high	85.7	Confident	51 Å²	51	64 Å²	64	22%	0.224	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.7	170.2	167.6	-100.9	0	0	0	109.1	F49 F51 V79 E80 A82	F14-F49 HydrophobicContact CE2-CB 3.68Å; F14-F49 HydrophobicContact CE2-CD2 4.06Å; F14-F49 HydrophobicContact CE2-CG 4.11Å; F14-F49 HydrophobicContact CZ-CB 4.13Å; F14-F51 HydrophobicContact CB-CD1 4.01Å; F14-F51 HydrophobicContact CB-CE1 3.78Å; F14-F51 HydrophobicContact CD2-CD1 4.26Å; F14-F51 AromaticContact CD2-CE1 3.68Å; F14-F51 HydrophobicContact CD2-CE1 3.68Å; F14-F51 HydrophobicContact CD2-CE2 4.14Å; F14-F51 AromaticContact CD2-CZ 3.63Å; F14-F51 HydrophobicContact CD2-CZ 3.63Å; F14-F51 HydrophobicContact CE2-CZ 4.36Å; F14-F51 HydrophobicContact CG-CE1 4.2Å; F14-V79 WeakPolarHBondContact O-CA 3.08Å; F14-E80 HydrophobicContact CD1-CB 4.41Å; F14-E80 PolarHBondContact N-O 3.07Å; F14-E80 PolarHBondContact O-N 2.67Å; F14-A82 HydrophobicContact CB-CB 4.26Å
15	V	91.3	Very high	86.1	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.8	172.8	-175.2	0	0	0	0	107.5	V13 V18 F31 F49 A50 I52 L77 R78 V79	V13-V15 HydrophobicContact CG1-CG2 4.46Å; V15-V18 HydrophobicContact CB-CG2 4.39Å; V15-V18 HydrophobicContact CG1-CG2 3.72Å; V15-F31 HydrophobicContact CG1-CZ 4.3Å; V15-F31 HydrophobicContact CG2-CE1 4.08Å; V15-F31 HydrophobicContact CG2-CE2 4.28Å; V15-F31 HydrophobicContact CG2-CZ 3.66Å; V15-F49 CarbonylContact O-C 3.56Å; V15-F49 WeakPolarHBondContact O-CA 3.43Å; V15-F49 WeakPolarHBondContact O-CB 3.44Å; V15-A50 HydrophobicContact CB-CB 4.49Å; V15-A50 PolarHBondContact N-O 2.98Å; V15-A50 PolarHBondContact O-N 3.01Å; V15-I52 HydrophobicContact CG2-CD1 3.84Å; V15-I52 HydrophobicContact CG2-CG1 4.3Å; V15-L77 HydrophobicContact CG1-CB 4.45Å; V15-L77 HydrophobicContact CG1-CD1 4.26Å; V15-L77 HydrophobicContact CG1-CD2 4Å; V15-L77 HydrophobicContact CG1-CG 4.47Å; V15-R78 CarbonylContact C-O 3.57Å; V15-R78 WeakPolarHBondContact CA-O 3.28Å; V15-V79 HydrophobicContact CG1-CG2 4.32Å; V15-V79 HydrophobicContact CG2-CG1 4.36Å; V15-V79 HydrophobicContact CG2-CG2 4.43Å
16	G	90.6	Very high	86.7	Confident	8 Å²	8	66.2 Å²	66.2	8%	0.082	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	161.3	173	0	0	0	0	0	111.4	V18 L77 R78	G16-V18 VanDerWaalsContact C-N 3.32Å; G16-L77 CarbonylContact O-C 3.55Å; G16-L77 WeakPolarHBondContact O-CA 3.48Å; G16-R78 PolarHBondContact N-O 2.91Å; G16-R78 PolarHBondContact O-N 2.88Å
17	G	87	Confident	87.3	Confident	37 Å²	37	55.8 Å²	55.8	38%	0.381	29%	0.292	S	S	.	.	S	Bend	trans	78.7	20.2	-175.1	0	0	0	0	0	113.3	G48 S75	G17-G48 PolarHBondContact N-O 3.09Å; G17-S75 WeakPolarHBondContact O-CB 3.44Å
18	V	87.2	Confident	88	Confident	10 Å²	10	52.4 Å²	52.4	6%	0.061	28%	0.277	C	S	.	.			trans	-66.8	138	168.9	-178.9	0	0	0	0	108.2	V15 G16 V22 I27 G48 A50 L77	V15-V18 HydrophobicContact CB-CG2 4.39Å; V15-V18 HydrophobicContact CG1-CG2 3.72Å; G16-V18 VanDerWaalsContact C-N 3.32Å; V18-V22 HydrophobicContact CG1-CB 3.81Å; V18-V22 HydrophobicContact CG1-CG1 3.98Å; V18-I27 HydrophobicContact CG1-CD1 3.88Å; V18-I27 HydrophobicContact CG2-CD1 4.24Å; V18-G48 PolarHBondContact N-O 3.16Å; V18-G48 VanDerWaalsContact N-O 3.12Å; V18-G48 WeakPolarHBondContact O-CA 3.2Å; V18-A50 HydrophobicContact CG2-CB 4.42Å; V18-L77 HydrophobicContact CG2-CD2 4.16Å
19	D	86	Confident	88.9	Confident	41 Å²	41	56.8 Å²	56.8	22%	0.219	29%	0.292	C	S	.	.			trans	-76.9	140.4	172.7	-174	-77.8	0	0	0	110.1	R21 V22	D19-R21 PolarHBondContact O-N 3.34Å; D19-R21 VanDerWaalsContact OD1-CB 3.23Å; D19-R21 WeakPolarHBondContact OD1-CB 3.18Å; D19-R21 WeakPolarHBondContact OD1-CD 3.44Å; D19-R21 WeakPolarHBondContact OD1-CG 3.47Å; D19-R21 PolarHBondContact OD1-N 3.05Å; D19-V22 HydrophobicContact CB-CG2 3.95Å; D19-V22 WeakPolarHBondContact O-CB 3.25Å; D19-V22 PolarHBondContact O-N 2.85Å
20	P	83.1	Confident	89.3	Confident	110 Å²	110	52.7 Å²	52.7	71%	0.714	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-14.6	-179.7	24.3	-36.1	0	0	0	115.3	V22	P20-V22 VanDerWaalsContact C-N 3.34Å
21	R	84.7	Confident	89.4	Confident	228 Å²	228	52.7 Å²	52.7	86%	0.86	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-20.3	172.2	-61.2	167.3	-177.9	-171.9	0.3	113.4	D19	D19-R21 PolarHBondContact O-N 3.34Å; D19-R21 VanDerWaalsContact OD1-CB 3.23Å; D19-R21 WeakPolarHBondContact OD1-CB 3.18Å; D19-R21 WeakPolarHBondContact OD1-CD 3.44Å; D19-R21 WeakPolarHBondContact OD1-CG 3.47Å; D19-R21 PolarHBondContact OD1-N 3.05Å
22	V	84.7	Confident	89.5	Confident	14 Å²	14	55.9 Å²	55.9	9%	0.085	29%	0.286	C	S	.	.			trans	-86.6	118.6	-172.2	178.5	0	0	0	0	109.6	V18 D19 P20 D26 I27 F73	V18-V22 HydrophobicContact CG1-CB 3.81Å; V18-V22 HydrophobicContact CG1-CG1 3.98Å; D19-V22 HydrophobicContact CB-CG2 3.95Å; D19-V22 WeakPolarHBondContact O-CB 3.25Å; D19-V22 PolarHBondContact O-N 2.85Å; P20-V22 VanDerWaalsContact C-N 3.34Å; V22-D26 HydrophobicContact CG1-CB 3.77Å; V22-I27 HydrophobicContact CG1-CD1 4.1Å; V22-I27 HydrophobicContact CG1-CG1 3.76Å; V22-F73 HydrophobicContact CB-CD2 4.3Å; V22-F73 HydrophobicContact CB-CG 4.47Å; V22-F73 HydrophobicContact CG1-CD1 4.43Å; V22-F73 HydrophobicContact CG1-CD2 3.7Å; V22-F73 HydrophobicContact CG1-CE1 4.25Å; V22-F73 HydrophobicContact CG1-CE2 3.49Å; V22-F73 VanDerWaalsContact CG1-CE2 3.49Å; V22-F73 HydrophobicContact CG1-CG 4.18Å; V22-F73 HydrophobicContact CG1-CZ 3.8Å; V22-F73 HydrophobicContact CG2-CB 3.63Å; V22-F73 HydrophobicContact CG2-CD1 3.85Å; V22-F73 HydrophobicContact CG2-CD2 3.62Å; V22-F73 HydrophobicContact CG2-CE1 4.45Å; V22-F73 HydrophobicContact CG2-CE2 4.26Å; V22-F73 HydrophobicContact CG2-CG 3.4Å
23	G	87.4	Confident	89.5	Confident	26 Å²	26	60.6 Å²	60.6	27%	0.268	30%	0.304	S	S	.	.			trans	-89.8	-173.3	-176.6	0	0	0	0	0	114.3	V25 D26 I27	G23-V25 VanDerWaalsContact C-N 3.3Å; G23-V25 PolarHBondContact O-N 3.37Å; G23-D26 WeakPolarHBondContact CA-OD2 3.45Å; G23-D26 PolarHBondContact N-OD2 3.19Å; G23-I27 WeakPolarHBondContact O-CD1 3.46Å; G23-I27 WeakPolarHBondContact O-CG1 3.23Å
24	K	91.1	Very high	89.4	Confident	89 Å²	89	61.8 Å²	61.8	39%	0.387	31%	0.309	S	S	.	.	H	α-helix	trans	-57	-47.4	170.5	-179.5	-179.9	178.6	-74.2	0	110.5	D26 I27 E28 V40 V42	K24-D26 PolarHBondContact O-N 2.89Å; K24-I27 PolarHBondContact O-N 3.17Å; K24-E28 IonicContact NZ-OE1 2.66Å; K24-E28 PolarHBondContact NZ-OE1 3.3Å; K24-E28 IonicContact NZ-OE2 2.66Å; K24-E28 PolarHBondContact NZ-OE2 2.99Å; K24-E28 VanDerWaalsContact O-CB 3.23Å; K24-E28 WeakPolarHBondContact O-CB 3.28Å; K24-E28 PolarHBondContact O-N 3.11Å; K24-V40 HydrophobicContact CD-CB 4.45Å; K24-V40 WeakPolarHBondContact CE-O 3.43Å; K24-V40 HydrophobicContact CG-CB 3.89Å; K24-V40 HydrophobicContact CG-CG1 3.93Å; K24-V42 HydrophobicContact CB-CG2 4.17Å
25	V	91.3	Very high	89.4	Confident	92 Å²	92	60 Å²	60	56%	0.558	31%	0.305	S	S	*	.	H	α-helix	trans	-63.7	-38.1	-171.3	-172.3	0	0	0	0	112.3	G23 Q29	G23-V25 VanDerWaalsContact C-N 3.3Å; G23-V25 PolarHBondContact O-N 3.37Å; V25-Q29 WeakPolarHBondContact O-CG 3.36Å; V25-Q29 PolarHBondContact O-N 2.86Å; V25-Q29 VanDerWaalsContact O-N 3.11Å; V25-Q29 PolarHBondContact O-NE2 3.5Å
26	D	91.2	Very high	89.5	Confident	61 Å²	61	63 Å²	63	33%	0.326	32%	0.324	S	S	.	.	H	α-helix	trans	-71.1	-40.5	179.1	-47.7	-72.4	0	0	0	111.8	V22 G23 K24 E30 F73	V22-D26 HydrophobicContact CG1-CB 3.77Å; G23-D26 WeakPolarHBondContact CA-OD2 3.45Å; G23-D26 PolarHBondContact N-OD2 3.19Å; K24-D26 PolarHBondContact O-N 2.89Å; D26-E30 WeakPolarHBondContact O-CB 3.49Å; D26-E30 PolarHBondContact O-N 3.29Å; D26-E30 VanDerWaalsContact O-N 3.16Å; D26-F73 HydrophobicContact CB-CE1 3.93Å; D26-F73 HydrophobicContact CB-CZ 3.81Å
27	I	90.8	Very high	89.6	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-69.7	-38.7	176.8	-67.9	166.9	0	0	0	110.5	V18 V22 G23 K24 F31 V40 V42 A50 I52	V18-I27 HydrophobicContact CG1-CD1 3.88Å; V18-I27 HydrophobicContact CG2-CD1 4.24Å; V22-I27 HydrophobicContact CG1-CD1 4.1Å; V22-I27 HydrophobicContact CG1-CG1 3.76Å; G23-I27 WeakPolarHBondContact O-CD1 3.46Å; G23-I27 WeakPolarHBondContact O-CG1 3.23Å; K24-I27 PolarHBondContact O-N 3.17Å; I27-F31 HydrophobicContact CG2-CD2 4.07Å; I27-F31 HydrophobicContact CG2-CE2 4.37Å; I27-F31 WeakPolarHBondContact O-CB 3.5Å; I27-F31 VanDerWaalsContact O-CD2 3.28Å; I27-F31 WeakPolarHBondContact O-CD2 3.43Å; I27-F31 PolarHBondContact O-N 2.76Å; I27-F31 VanDerWaalsContact O-N 3.09Å; I27-V40 HydrophobicContact CB-CG1 4.45Å; I27-V40 HydrophobicContact CG2-CG1 4.01Å; I27-V42 HydrophobicContact CD1-CG2 3.83Å; I27-A50 HydrophobicContact CD1-CB 3.74Å; I27-I52 HydrophobicContact CG2-CD1 3.52Å; I27-I52 HydrophobicContact CG2-CG1 3.92Å
28	E	92.6	Very high	89.8	Confident	56 Å²	56	65.9 Å²	65.9	26%	0.262	34%	0.338	S	S	.	.	H	α-helix	trans	-61.8	-54.7	178.1	-166.2	155.3	-135	0	0	110.6	K24 E30 F31 E32 I37 V40	K24-E28 IonicContact NZ-OE1 2.66Å; K24-E28 PolarHBondContact NZ-OE1 3.3Å; K24-E28 IonicContact NZ-OE2 2.66Å; K24-E28 PolarHBondContact NZ-OE2 2.99Å; K24-E28 VanDerWaalsContact O-CB 3.23Å; K24-E28 WeakPolarHBondContact O-CB 3.28Å; K24-E28 PolarHBondContact O-N 3.11Å; E28-E30 PolarHBondContact O-N 3.28Å; E28-F31 PolarHBondContact O-N 3.38Å; E28-E32 WeakPolarHBondContact O-CB 3.34Å; E28-E32 PolarHBondContact O-N 2.81Å; E28-I37 HydrophobicContact CG-CD1 4.5Å; E28-V40 HydrophobicContact CB-CG2 4.21Å; E28-V40 HydrophobicContact CG-CG2 4.14Å
29	Q	92.3	Very high	90	Very high	120 Å²	120	69.6 Å²	69.6	56%	0.561	36%	0.357	S	S	*	.	H	α-helix	trans	-57.1	-45.1	176.2	-72.2	169.4	97.1	0	0	113.4	V25 F31	V25-Q29 WeakPolarHBondContact O-CG 3.36Å; V25-Q29 PolarHBondContact O-N 2.86Å; V25-Q29 VanDerWaalsContact O-N 3.11Å; V25-Q29 PolarHBondContact O-NE2 3.5Å; Q29-F31 VanDerWaalsContact C-N 3.31Å; Q29-F31 PolarHBondContact O-N 3.41Å
30	E	90.2	Very high	90.3	Very high	38 Å²	38	67.9 Å²	67.9	18%	0.178	35%	0.348	C	S	.	.	H	α-helix	trans	-68.4	-30.8	-176.7	178.3	55.3	-150.8	0	0	112.4	D26 E28 R33 M67 P72	D26-E30 WeakPolarHBondContact O-CB 3.49Å; D26-E30 PolarHBondContact O-N 3.29Å; D26-E30 VanDerWaalsContact O-N 3.16Å; E28-E30 PolarHBondContact O-N 3.28Å; E30-R33 IonicContact OE1-NH2 2.76Å; E30-R33 PolarHBondContact OE1-NH2 2.8Å; E30-R33 IonicContact OE2-CZ 3.72Å; E30-R33 IonicContact OE2-NH1 3.97Å; E30-R33 IonicContact OE2-NH2 2.68Å; E30-R33 PolarHBondContact OE2-NH2 3.37Å; E30-M67 HydrophobicContact CG-CE 3.52Å; E30-M67 WeakPolarHBondContact OE1-CE 3.45Å; E30-P72 HydrophobicContact CG-CB 4.28Å; E30-P72 HydrophobicContact CG-CG 4.3Å
31	F	90.7	Very high	90.7	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-98.8	-22.2	-178	-78.7	-102.6	0	0	0	114.9	V15 I27 E28 Q29 R33 F34 I37 I52 F54 A63 M67 L77 V79	V15-F31 HydrophobicContact CG1-CZ 4.3Å; V15-F31 HydrophobicContact CG2-CE1 4.08Å; V15-F31 HydrophobicContact CG2-CE2 4.28Å; V15-F31 HydrophobicContact CG2-CZ 3.66Å; I27-F31 HydrophobicContact CG2-CD2 4.07Å; I27-F31 HydrophobicContact CG2-CE2 4.37Å; I27-F31 WeakPolarHBondContact O-CB 3.5Å; I27-F31 VanDerWaalsContact O-CD2 3.28Å; I27-F31 WeakPolarHBondContact O-CD2 3.43Å; I27-F31 PolarHBondContact O-N 2.76Å; I27-F31 VanDerWaalsContact O-N 3.09Å; E28-F31 PolarHBondContact O-N 3.38Å; Q29-F31 VanDerWaalsContact C-N 3.31Å; Q29-F31 PolarHBondContact O-N 3.41Å; F31-R33 PolarHBondContact O-N 3.26Å; F31-F34 HydrophobicContact CD1-CD2 4.32Å; F31-F34 WeakPolarHBondContact O-CD2 3.23Å; F31-F34 PolarHBondContact O-N 3.28Å; F31-I37 HydrophobicContact CB-CD1 4.08Å; F31-I52 HydrophobicContact CB-CD1 3.7Å; F31-I52 HydrophobicContact CD1-CD1 3.37Å; F31-I52 HydrophobicContact CD2-CD1 3.53Å; F31-I52 HydrophobicContact CE1-CD1 3.75Å; F31-I52 HydrophobicContact CE2-CD1 3.89Å; F31-I52 HydrophobicContact CG-CD1 3.24Å; F31-I52 HydrophobicContact CZ-CD1 3.99Å; F31-F54 HydrophobicContact CB-CZ 4.15Å; F31-F54 HydrophobicContact CD1-CE2 4.45Å; F31-F54 HydrophobicContact CD1-CZ 4.11Å; F31-A63 HydrophobicContact CD1-CB 3.99Å; F31-A63 HydrophobicContact CE1-CB 4.3Å; F31-M67 HydrophobicContact CD1-CG 4.27Å; F31-M67 HydrophobicContact CE1-CB 3.85Å; F31-M67 HydrophobicContact CE1-CG 3.75Å; F31-M67 HydrophobicContact CE2-CE 4.13Å; F31-M67 HydrophobicContact CE2-CG 4.46Å; F31-M67 HydrophobicContact CZ-CB 3.78Å; F31-M67 HydrophobicContact CZ-CE 4.26Å; F31-M67 HydrophobicContact CZ-CG 3.86Å; F31-L77 HydrophobicContact CE2-CD1 4.32Å; F31-L77 HydrophobicContact CZ-CD1 4.49Å; F31-V79 HydrophobicContact CE1-CG1 4.13Å; F31-V79 HydrophobicContact CZ-CG1 4.48Å; F31-V79 HydrophobicContact CZ-CG2 4.15Å
32	E	91.7	Very high	91	Very high	124 Å²	124	59.7 Å²	59.7	58%	0.579	31%	0.307	S	S	*	.	H	α-helix	trans	-57.1	-33.9	176.9	176.6	173.1	-153.5	0	0	111.8	E28 F34 G35 I37	E28-E32 WeakPolarHBondContact O-CB 3.34Å; E28-E32 PolarHBondContact O-N 2.81Å; E32-F34 PolarHBondContact O-N 2.91Å; E32-G35 PolarHBondContact O-N 2.82Å; E32-I37 HydrophobicContact CB-CD1 4.25Å
33	R	91.6	Very high	91.1	Very high	165 Å²	165	59.2 Å²	59.2	62%	0.623	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-19.4	172.3	179	165.2	55.9	-133	0.7	114.7	E30 F31	E30-R33 IonicContact OE1-NH2 2.76Å; E30-R33 PolarHBondContact OE1-NH2 2.8Å; E30-R33 IonicContact OE2-CZ 3.72Å; E30-R33 IonicContact OE2-NH1 3.97Å; E30-R33 IonicContact OE2-NH2 2.68Å; E30-R33 PolarHBondContact OE2-NH2 3.37Å; F31-R33 PolarHBondContact O-N 3.26Å
34	F	91	Very high	90.7	Very high	26 Å²	26	68.9 Å²	68.9	11%	0.114	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-15.4	176	-59.1	-67	0	0	0	114.3	F31 E32 F54 D59 R62 A63 R66 M67	F31-F34 HydrophobicContact CD1-CD2 4.32Å; F31-F34 WeakPolarHBondContact O-CD2 3.23Å; F31-F34 PolarHBondContact O-N 3.28Å; E32-F34 PolarHBondContact O-N 2.91Å; F34-F54 HydrophobicContact CB-CE1 4.32Å; F34-D59 WeakPolarHBondContact O-CB 3.4Å; F34-R62 HydrophobicContact CD1-CB 4.47Å; F34-R62 PolarHBondContact O-NH2 2.95Å; F34-A63 HydrophobicContact CB-CB 3.96Å; F34-A63 HydrophobicContact CD2-CB 3.82Å; F34-A63 HydrophobicContact CG-CB 3.89Å; F34-R66 HydrophobicContact CE1-CB 3.67Å; F34-R66 HydrophobicContact CE1-CG 3.69Å; F34-R66 HydrophobicContact CZ-CB 3.92Å; F34-R66 HydrophobicContact CZ-CG 3.81Å; F34-M67 HydrophobicContact CD2-CG 4.32Å; F34-M67 HydrophobicContact CE2-CG 3.39Å; F34-M67 HydrophobicContact CE2-SD 3.68Å; F34-M67 HydrophobicContact CZ-CG 3.72Å; F34-M67 HydrophobicContact CZ-SD 3.69Å
35	G	90.6	Very high	90.2	Very high	13 Å²	13	71.9 Å²	71.9	13%	0.134	35%	0.354	C	S	.	.	S	Bend	trans	144.6	170.1	179.2	0	0	0	0	0	113.3	E32 I37	E32-G35 PolarHBondContact O-N 2.82Å; G35-I37 PolarHBondContact O-N 3Å
36	P	92.9	Very high	89.6	Confident	63 Å²	63	71.3 Å²	71.3	41%	0.409	35%	0.352	S	S	.	.			trans	-59.8	118.6	-172.9	22.2	-33.9	0	0	0	113.2	K55 Y56 D59	P36-K55 HydrophobicContact CB-CB 4.49Å; P36-K55 HydrophobicContact CG-CB 4.21Å; P36-K55 HydrophobicContact CG-CD 4.42Å; P36-K55 PolarHBondContact O-N 2.84Å; P36-Y56 HydrophobicContact CG-CD2 3.95Å; P36-Y56 HydrophobicContact CG-CE2 3.83Å; P36-D59 WeakPolarHBondContact CD-OD2 3.39Å
37	I	92.7	Very high	89	Confident	38 Å²	38	72.6 Å²	72.6	20%	0.195	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	142.2	171.7	-59.1	173.7	0	0	0	109.2	E28 F31 E32 G35 D39 V40 I52 F54	E28-I37 HydrophobicContact CG-CD1 4.5Å; F31-I37 HydrophobicContact CB-CD1 4.08Å; E32-I37 HydrophobicContact CB-CD1 4.25Å; G35-I37 PolarHBondContact O-N 3Å; I37-D39 WeakPolarHBondContact CG2-O 3.3Å; I37-V40 HydrophobicContact CD1-CG2 4.28Å; I37-V40 HydrophobicContact CG2-CG2 3.59Å; I37-I52 HydrophobicContact CD1-CG2 4Å; I37-I52 HydrophobicContact CG1-CG2 4Å; I37-I52 HydrophobicContact CG2-CG2 3.93Å; I37-F54 HydrophobicContact CG1-CD1 4.26Å; I37-F54 HydrophobicContact CG1-CE1 3.92Å; I37-F54 HydrophobicContact CG1-CZ 4.46Å
38	A	91.7	Very high	88.6	Confident	67 Å²	67	73.4 Å²	73.4	55%	0.554	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	-29.6	175.1	0	0	0	0	0	112.7	V53	A38-V53 HydrophobicContact CB-CB 4.46Å; A38-V53 HydrophobicContact CB-CG1 4.2Å; A38-V53 PolarHBondContact N-O 3.03Å
39	D	91.7	Very high	88.5	Confident	88 Å²	88	72.8 Å²	72.8	47%	0.471	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	151.4	174.3	-178.8	31.6	0	0	0	111.3	I37 V53	I37-D39 WeakPolarHBondContact CG2-O 3.3Å; D39-V53 HydrophobicContact CB-CB 4.16Å; D39-V53 HydrophobicContact CB-CG2 4.04Å; D39-V53 PolarHBondContact O-N 3.42Å
40	V	92.6	Very high	88.5	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.03	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	110.7	172.5	-175.7	0	0	0	0	109.6	K24 I27 E28 I37 V42 I52	K24-V40 HydrophobicContact CD-CB 4.45Å; K24-V40 WeakPolarHBondContact CE-O 3.43Å; K24-V40 HydrophobicContact CG-CB 3.89Å; K24-V40 HydrophobicContact CG-CG1 3.93Å; I27-V40 HydrophobicContact CB-CG1 4.45Å; I27-V40 HydrophobicContact CG2-CG1 4.01Å; E28-V40 HydrophobicContact CB-CG2 4.21Å; E28-V40 HydrophobicContact CG-CG2 4.14Å; I37-V40 HydrophobicContact CD1-CG2 4.28Å; I37-V40 HydrophobicContact CG2-CG2 3.59Å; V40-V42 HydrophobicContact CG1-CG2 4.36Å; V40-I52 HydrophobicContact CG1-CG1 4.43Å; V40-I52 HydrophobicContact CG2-CG2 4.44Å
41	W	90.9	Very high	88.5	Confident	132 Å²	132	67 Å²	67	50%	0.5	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	108	177.6	-180	63.9	0	0	0	111.3	A43 F49 A50 F51	W41-A43 HydrophobicContact CH2-CB 3.94Å; W41-A43 HydrophobicContact CZ2-CB 4.19Å; W41-A43 HydrophobicContact CZ3-CB 4.28Å; W41-F49 HydrophobicContact CH2-CE2 4.5Å; W41-F49 HydrophobicContact CZ3-CE2 4.35Å; W41-A50 CarbonylContact O-C 3.47Å; W41-A50 WeakPolarHBondContact O-CA 3.25Å; W41-F51 HydrophobicContact CE3-CB 4.43Å; W41-F51 AromaticContact CE3-CD2 3.52Å; W41-F51 HydrophobicContact CE3-CD2 3.52Å; W41-F51 HydrophobicContact CE3-CE2 4.17Å; W41-F51 HydrophobicContact CE3-CG 4.36Å; W41-F51 AromaticContact CZ3-CD2 3.59Å; W41-F51 HydrophobicContact CZ3-CD2 3.59Å; W41-F51 AromaticContact CZ3-CE2 3.74Å; W41-F51 HydrophobicContact CZ3-CE2 3.74Å; W41-F51 PolarHBondContact N-O 2.89Å; W41-F51 PolarHBondContact O-N 2.86Å
42	V	90.6	Very high	88.6	Confident	34 Å²	34	67 Å²	67	21%	0.206	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.2	174.7	-173.9	0	0	0	0	109.9	K24 I27 V40 A50	K24-V42 HydrophobicContact CB-CG2 4.17Å; I27-V42 HydrophobicContact CD1-CG2 3.83Å; V40-V42 HydrophobicContact CG1-CG2 4.36Å; V42-A50 HydrophobicContact CB-CB 4.36Å; V42-A50 HydrophobicContact CG1-CB 4.4Å; V42-A50 HydrophobicContact CG2-CB 4.06Å
43	A	87.1	Confident	88.7	Confident	5 Å²	5	61.2 Å²	61.2	4%	0.041	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	127.4	178.2	0	0	0	0	0	110.9	W41 F49	W41-A43 HydrophobicContact CH2-CB 3.94Å; W41-A43 HydrophobicContact CZ2-CB 4.19Å; W41-A43 HydrophobicContact CZ3-CB 4.28Å; A43-F49 HydrophobicContact CB-CD1 4.12Å; A43-F49 HydrophobicContact CB-CD2 3.57Å; A43-F49 HydrophobicContact CB-CE1 3.78Å; A43-F49 HydrophobicContact CB-CE2 3.17Å; A43-F49 HydrophobicContact CB-CG 4.04Å; A43-F49 HydrophobicContact CB-CZ 3.29Å; A43-F49 WeakPolarHBondContact CB-O 3.12Å; A43-F49 PolarHBondContact N-O 3.26Å
44	R	79.9	Confident	88.8	Confident	229 Å²	229	53.4 Å²	53.4	86%	0.864	29%	0.285	S	S	*	.			trans	-97	-13.9	178.3	-64.4	-179.1	175	179.9	-3.1	113.4	P46	R44-P46 CarbonylContact C-O 3.58Å
45	N	79.7	Confident	88.8	Confident	152 Å²	152	57.9 Å²	57.9	81%	0.813	30%	0.304	S	S	*	.	S	Bend	trans	-144.7	111.7	177.8	-171.1	2.8	0	0	0	111.6
46	P	78.9	Confident	88.9	Confident	80 Å²	80	62.9 Å²	62.9	52%	0.519	32%	0.32	S	S	.	.	S	Bend	cis	-53.3	154.1	-14.4	-15.9	21.1	0	0	0	112.4	R44 F49	R44-P46 CarbonylContact C-O 3.58Å; P46-F49 HydrophobicContact CB-CE1 3.94Å; P46-F49 HydrophobicContact CG-CE1 3.97Å; P46-F49 WeakPolarHBondContact O-CE1 3.35Å
47	P	78.3	Confident	88.8	Confident	88 Å²	88	61.1 Å²	61.1	57%	0.571	31%	0.311	S	S	*	.	S	Bend	trans	-71.1	161	171.9	30.7	-35.2	0	0	0	111.6
48	G	83.7	Confident	88.7	Confident	19 Å²	19	66.5 Å²	66.5	20%	0.196	34%	0.335	C	S	.	.	S	Bend	trans	87.3	21.3	166.1	0	0	0	0	0	116.6	G17 V18	G17-G48 PolarHBondContact N-O 3.09Å; V18-G48 PolarHBondContact N-O 3.16Å; V18-G48 VanDerWaalsContact N-O 3.12Å; V18-G48 WeakPolarHBondContact O-CA 3.2Å
49	F	89.8	Confident	88.8	Confident	43 Å²	43	63.8 Å²	63.8	19%	0.189	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	154.5	164.9	67.2	-82.1	0	0	0	113.4	F14 V15 W41 A43 P46 F51	F14-F49 HydrophobicContact CE2-CB 3.68Å; F14-F49 HydrophobicContact CE2-CD2 4.06Å; F14-F49 HydrophobicContact CE2-CG 4.11Å; F14-F49 HydrophobicContact CZ-CB 4.13Å; V15-F49 CarbonylContact O-C 3.56Å; V15-F49 WeakPolarHBondContact O-CA 3.43Å; V15-F49 WeakPolarHBondContact O-CB 3.44Å; W41-F49 HydrophobicContact CH2-CE2 4.5Å; W41-F49 HydrophobicContact CZ3-CE2 4.35Å; A43-F49 HydrophobicContact CB-CD1 4.12Å; A43-F49 HydrophobicContact CB-CD2 3.57Å; A43-F49 HydrophobicContact CB-CE1 3.78Å; A43-F49 HydrophobicContact CB-CE2 3.17Å; A43-F49 HydrophobicContact CB-CG 4.04Å; A43-F49 HydrophobicContact CB-CZ 3.29Å; A43-F49 WeakPolarHBondContact CB-O 3.12Å; A43-F49 PolarHBondContact N-O 3.26Å; P46-F49 HydrophobicContact CB-CE1 3.94Å; P46-F49 HydrophobicContact CG-CE1 3.97Å; P46-F49 WeakPolarHBondContact O-CE1 3.35Å; F49-F51 HydrophobicContact CD2-CD2 4.25Å; F49-F51 AromaticContact CD2-CE2 3.73Å; F49-F51 HydrophobicContact CD2-CE2 3.73Å; F49-F51 AromaticContact CE2-CE2 3.81Å; F49-F51 HydrophobicContact CE2-CE2 3.81Å
50	A	91.4	Very high	88.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	166.3	175.4	0	0	0	0	0	110.4	V15 V18 I27 W41 V42	V15-A50 HydrophobicContact CB-CB 4.49Å; V15-A50 PolarHBondContact N-O 2.98Å; V15-A50 PolarHBondContact O-N 3.01Å; V18-A50 HydrophobicContact CG2-CB 4.42Å; I27-A50 HydrophobicContact CD1-CB 3.74Å; W41-A50 CarbonylContact O-C 3.47Å; W41-A50 WeakPolarHBondContact O-CA 3.25Å; V42-A50 HydrophobicContact CB-CB 4.36Å; V42-A50 HydrophobicContact CG1-CB 4.4Å; V42-A50 HydrophobicContact CG2-CB 4.06Å
51	F	92.1	Very high	88.8	Confident	35 Å²	35	60.8 Å²	60.8	15%	0.154	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.8	169.4	-68.8	-92.7	0	0	0	109.9	R12 V13 F14 W41 F49 A82	R12-F51 HydrophobicContact CG-CB 4.35Å; R12-F51 HydrophobicContact CG-CD1 4Å; R12-F51 VanDerWaalsContact NH2-CD2 3.28Å; V13-F51 VanDerWaalsContact O-CA 3.25Å; V13-F51 WeakPolarHBondContact O-CA 3.3Å; V13-F51 WeakPolarHBondContact O-CD1 3.29Å; F14-F51 HydrophobicContact CB-CD1 4.01Å; F14-F51 HydrophobicContact CB-CE1 3.78Å; F14-F51 HydrophobicContact CD2-CD1 4.26Å; F14-F51 AromaticContact CD2-CE1 3.68Å; F14-F51 HydrophobicContact CD2-CE1 3.68Å; F14-F51 HydrophobicContact CD2-CE2 4.14Å; F14-F51 AromaticContact CD2-CZ 3.63Å; F14-F51 HydrophobicContact CD2-CZ 3.63Å; F14-F51 HydrophobicContact CE2-CZ 4.36Å; F14-F51 HydrophobicContact CG-CE1 4.2Å; W41-F51 HydrophobicContact CE3-CB 4.43Å; W41-F51 AromaticContact CE3-CD2 3.52Å; W41-F51 HydrophobicContact CE3-CD2 3.52Å; W41-F51 HydrophobicContact CE3-CE2 4.17Å; W41-F51 HydrophobicContact CE3-CG 4.36Å; W41-F51 AromaticContact CZ3-CD2 3.59Å; W41-F51 HydrophobicContact CZ3-CD2 3.59Å; W41-F51 AromaticContact CZ3-CE2 3.74Å; W41-F51 HydrophobicContact CZ3-CE2 3.74Å; W41-F51 PolarHBondContact N-O 2.89Å; W41-F51 PolarHBondContact O-N 2.86Å; F49-F51 HydrophobicContact CD2-CD2 4.25Å; F49-F51 AromaticContact CD2-CE2 3.73Å; F49-F51 HydrophobicContact CD2-CE2 3.73Å; F49-F51 AromaticContact CE2-CE2 3.81Å; F49-F51 HydrophobicContact CE2-CE2 3.81Å; F51-A82 HydrophobicContact CD1-CB 4Å; F51-A82 HydrophobicContact CE1-CB 3.9Å
52	I	92.8	Very high	88.9	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.7	-179.8	-54.5	173	0	0	0	106.9	R12 V13 V15 I27 F31 I37 V40 F54	R12-I52 CarbonylContact C-O 3.56Å; R12-I52 WeakPolarHBondContact CA-O 3.36Å; V13-I52 PolarHBondContact N-O 2.77Å; V13-I52 PolarHBondContact O-N 2.68Å; V15-I52 HydrophobicContact CG2-CD1 3.84Å; V15-I52 HydrophobicContact CG2-CG1 4.3Å; I27-I52 HydrophobicContact CG2-CD1 3.52Å; I27-I52 HydrophobicContact CG2-CG1 3.92Å; F31-I52 HydrophobicContact CB-CD1 3.7Å; F31-I52 HydrophobicContact CD1-CD1 3.37Å; F31-I52 HydrophobicContact CD2-CD1 3.53Å; F31-I52 HydrophobicContact CE1-CD1 3.75Å; F31-I52 HydrophobicContact CE2-CD1 3.89Å; F31-I52 HydrophobicContact CG-CD1 3.24Å; F31-I52 HydrophobicContact CZ-CD1 3.99Å; I37-I52 HydrophobicContact CD1-CG2 4Å; I37-I52 HydrophobicContact CG1-CG2 4Å; I37-I52 HydrophobicContact CG2-CG2 3.93Å; V40-I52 HydrophobicContact CG1-CG1 4.43Å; V40-I52 HydrophobicContact CG2-CG2 4.44Å; I52-F54 HydrophobicContact CB-CE2 4.23Å; I52-F54 HydrophobicContact CG2-CD2 4.07Å; I52-F54 HydrophobicContact CG2-CE2 3.63Å; I52-F54 HydrophobicContact CG2-CZ 3.93Å
53	V	92.8	Very high	89	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.024	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	108.4	179.4	-174.8	0	0	0	0	107.8	A8 R12 A38 D39	A8-V53 HydrophobicContact CB-CB 4.48Å; A8-V53 HydrophobicContact CB-CG1 3.8Å; A8-V53 HydrophobicContact CB-CG2 3.8Å; A8-V53 WeakPolarHBondContact O-CG1 3.41Å; R12-V53 HydrophobicContact CG-CG2 4.42Å; A38-V53 HydrophobicContact CB-CB 4.46Å; A38-V53 HydrophobicContact CB-CG1 4.2Å; A38-V53 PolarHBondContact N-O 3.03Å; D39-V53 HydrophobicContact CB-CB 4.16Å; D39-V53 HydrophobicContact CB-CG2 4.04Å; D39-V53 PolarHBondContact O-N 3.42Å
54	F	93.8	Very high	89.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	146.5	174.8	-73.2	-84.2	0	0	0	111.2	G10 Y11 V13 F31 F34 I37 I52 Y56 D59 A60 A63	G10-F54 WeakPolarHBondContact CA-O 3.38Å; Y11-F54 PolarHBondContact N-O 2.85Å; Y11-F54 PolarHBondContact O-N 3.16Å; V13-F54 HydrophobicContact CB-CE2 4.44Å; V13-F54 HydrophobicContact CG2-CD2 3.86Å; V13-F54 HydrophobicContact CG2-CE2 4Å; F31-F54 HydrophobicContact CB-CZ 4.15Å; F31-F54 HydrophobicContact CD1-CE2 4.45Å; F31-F54 HydrophobicContact CD1-CZ 4.11Å; F34-F54 HydrophobicContact CB-CE1 4.32Å; I37-F54 HydrophobicContact CG1-CD1 4.26Å; I37-F54 HydrophobicContact CG1-CE1 3.92Å; I37-F54 HydrophobicContact CG1-CZ 4.46Å; I52-F54 HydrophobicContact CB-CE2 4.23Å; I52-F54 HydrophobicContact CG2-CD2 4.07Å; I52-F54 HydrophobicContact CG2-CE2 3.63Å; I52-F54 HydrophobicContact CG2-CZ 3.93Å; F54-Y56 VanDerWaalsContact C-N 3.32Å; F54-D59 HydrophobicContact CB-CB 4.24Å; F54-D59 HydrophobicContact CD1-CB 3.65Å; F54-D59 HydrophobicContact CE1-CB 4.29Å; F54-D59 HydrophobicContact CG-CB 4.11Å; F54-A60 HydrophobicContact CB-CB 4.12Å; F54-A60 HydrophobicContact CD2-CB 3.93Å; F54-A60 HydrophobicContact CG-CB 4.27Å; F54-A63 HydrophobicContact CE2-CB 3.76Å; F54-A63 HydrophobicContact CZ-CB 3.64Å
55	K	91.5	Very high	89.8	Confident	120 Å²	120	58.7 Å²	58.7	52%	0.522	29%	0.285	S	S	.	.	S	Bend	trans	-65.3	-36	174	-170.5	174.8	179.2	-174.9	0	112.2	P36	P36-K55 HydrophobicContact CB-CB 4.49Å; P36-K55 HydrophobicContact CG-CB 4.21Å; P36-K55 HydrophobicContact CG-CD 4.42Å; P36-K55 PolarHBondContact O-N 2.84Å
56	Y	91.4	Very high	90.3	Very high	118 Å²	118	60.6 Å²	60.6	46%	0.463	28%	0.281	S	S	.	.	S	Bend	trans	-119.8	151	-175.9	-54.5	-75.2	0	0	0	113.3	P36 F54 E58 D59 A60	P36-Y56 HydrophobicContact CG-CD2 3.95Å; P36-Y56 HydrophobicContact CG-CE2 3.83Å; F54-Y56 VanDerWaalsContact C-N 3.32Å; Y56-E58 VanDerWaalsContact C-N 3.3Å; Y56-E58 PolarHBondContact O-N 2.81Å; Y56-D59 WeakPolarHBondContact CD2-OD2 3.41Å; Y56-A60 PolarHBondContact O-N 3.21Å
57	A	90.9	Very high	90.8	Very high	27 Å²	27	56.9 Å²	56.9	22%	0.223	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-36.8	-179.8	0	0	0	0	0	112.5	P2 Y11 A60 D61	P2-A57 HydrophobicContact CG-CB 3.68Å; Y11-A57 HydrophobicContact CD1-CB 4.1Å; Y11-A57 HydrophobicContact CD2-CB 4.22Å; Y11-A57 HydrophobicContact CE1-CB 3.75Å; Y11-A57 HydrophobicContact CE2-CB 3.9Å; Y11-A57 VanDerWaalsContact CE2-N 3.26Å; Y11-A57 HydrophobicContact CG-CB 4.29Å; A57-A60 PolarHBondContact O-N 2.66Å; A57-D61 PolarHBondContact O-N 3.01Å
58	E	91.8	Very high	91.5	Very high	151 Å²	151	56.8 Å²	56.8	71%	0.706	25%	0.251	S	S	*	.	H	α-helix	trans	-70	-40.2	-174.4	-58.2	-176.3	170.5	0	0	110.5	Y56 D61 R62	Y56-E58 VanDerWaalsContact C-N 3.3Å; Y56-E58 PolarHBondContact O-N 2.81Å; E58-D61 PolarHBondContact O-N 3.12Å; E58-R62 WeakPolarHBondContact O-CB 3.41Å; E58-R62 VanDerWaalsContact O-CG 3.28Å; E58-R62 WeakPolarHBondContact O-CG 3.4Å; E58-R62 PolarHBondContact O-N 2.86Å
59	D	93.1	Very high	91.5	Very high	9 Å²	9	57.2 Å²	57.2	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-46.9	175.2	-53.4	-19.4	0	0	0	111.3	F34 P36 F54 Y56 D61 R62 A63	F34-D59 WeakPolarHBondContact O-CB 3.4Å; P36-D59 WeakPolarHBondContact CD-OD2 3.39Å; F54-D59 HydrophobicContact CB-CB 4.24Å; F54-D59 HydrophobicContact CD1-CB 3.65Å; F54-D59 HydrophobicContact CE1-CB 4.29Å; F54-D59 HydrophobicContact CG-CB 4.11Å; Y56-D59 WeakPolarHBondContact CD2-OD2 3.41Å; D59-D61 VanDerWaalsContact C-N 3.31Å; D59-D61 PolarHBondContact O-N 2.66Å; D59-R62 PolarHBondContact O-N 3.45Å; D59-R62 IonicContact OD1-CZ 3.63Å; D59-R62 IonicContact OD1-NE 3.78Å; D59-R62 IonicContact OD1-NH2 2.69Å; D59-R62 PolarHBondContact OD1-NH2 2.78Å; D59-A63 VanDerWaalsContact O-CB 3.3Å; D59-A63 WeakPolarHBondContact O-CB 3.32Å; D59-A63 PolarHBondContact O-N 3Å
60	A	92.1	Very high	91.3	Very high	0 Å²	0	57 Å²	57	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.5	-41.1	174.7	0	0	0	0	0	112.4	V13 F54 Y56 A57 V64	V13-A60 HydrophobicContact CG2-CB 3.72Å; F54-A60 HydrophobicContact CB-CB 4.12Å; F54-A60 HydrophobicContact CD2-CB 3.93Å; F54-A60 HydrophobicContact CG-CB 4.27Å; Y56-A60 PolarHBondContact O-N 3.21Å; A57-A60 PolarHBondContact O-N 2.66Å; A60-V64 WeakPolarHBondContact O-CB 3.41Å; A60-V64 WeakPolarHBondContact O-CG2 3.5Å; A60-V64 PolarHBondContact O-N 2.8Å
61	D	92.4	Very high	91.1	Very high	30 Å²	30	65.1 Å²	65.1	16%	0.16	29%	0.29	C	S	.	.	H	α-helix	trans	-76.3	-32.3	179.3	-153.3	70	0	0	0	112.1	A57 E58 D59 R65 H81	A57-D61 PolarHBondContact O-N 3.01Å; E58-D61 PolarHBondContact O-N 3.12Å; D59-D61 VanDerWaalsContact C-N 3.31Å; D59-D61 PolarHBondContact O-N 2.66Å; D61-R65 WeakPolarHBondContact O-CB 3.18Å; D61-R65 WeakPolarHBondContact O-CD 3.12Å; D61-R65 WeakPolarHBondContact O-CG 3.37Å; D61-R65 PolarHBondContact O-N 2.75Å; D61-R65 IonicContact OD2-CZ 3.13Å; D61-R65 IonicContact OD2-NE 2.77Å; D61-R65 PolarHBondContact OD2-NE 3.4Å; D61-R65 IonicContact OD2-NH2 2.68Å; D61-R65 PolarHBondContact OD2-NH2 3.17Å; D61-H81 IonicContact OD1-CD2 3.79Å; D61-H81 IonicContact OD1-CE1 3.4Å; D61-H81 PolarHBondContact OD1-CE1 2.89Å; D61-H81 IonicContact OD1-NE2 2.7Å; D61-H81 PolarHBondContact OD1-NE2 3.3Å
62	R	92.6	Very high	90.4	Very high	138 Å²	138	65.7 Å²	65.7	52%	0.521	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-48.9	169.7	-75.9	-169.3	-67.9	174	-2.4	111.3	F34 E58 D59 R65 R66	F34-R62 HydrophobicContact CD1-CB 4.47Å; F34-R62 PolarHBondContact O-NH2 2.95Å; E58-R62 WeakPolarHBondContact O-CB 3.41Å; E58-R62 VanDerWaalsContact O-CG 3.28Å; E58-R62 WeakPolarHBondContact O-CG 3.4Å; E58-R62 PolarHBondContact O-N 2.86Å; D59-R62 PolarHBondContact O-N 3.45Å; D59-R62 IonicContact OD1-CZ 3.63Å; D59-R62 IonicContact OD1-NE 3.78Å; D59-R62 IonicContact OD1-NH2 2.69Å; D59-R62 PolarHBondContact OD1-NH2 2.78Å; R62-R65 PolarHBondContact O-N 3.39Å; R62-R66 WeakPolarHBondContact O-CB 3.22Å; R62-R66 PolarHBondContact O-N 2.82Å
63	A	92.1	Very high	89.6	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.9	-50.8	176.9	0	0	0	0	0	111.5	F31 F34 F54 D59 R65 R66 M67	F31-A63 HydrophobicContact CD1-CB 3.99Å; F31-A63 HydrophobicContact CE1-CB 4.3Å; F34-A63 HydrophobicContact CB-CB 3.96Å; F34-A63 HydrophobicContact CD2-CB 3.82Å; F34-A63 HydrophobicContact CG-CB 3.89Å; F54-A63 HydrophobicContact CE2-CB 3.76Å; F54-A63 HydrophobicContact CZ-CB 3.64Å; D59-A63 VanDerWaalsContact O-CB 3.3Å; D59-A63 WeakPolarHBondContact O-CB 3.32Å; D59-A63 PolarHBondContact O-N 3Å; A63-R65 PolarHBondContact O-N 3.05Å; A63-R66 PolarHBondContact O-N 3.5Å; A63-M67 VanDerWaalsContact O-CB 3.25Å; A63-M67 WeakPolarHBondContact O-CB 3.42Å; A63-M67 WeakPolarHBondContact O-CG 3.35Å; A63-M67 PolarHBondContact O-N 2.88Å
64	V	92.6	Very high	89	Confident	21 Å²	21	71.2 Å²	71.2	13%	0.127	34%	0.337	C	S	.	.	H	α-helix	trans	-55	-50.6	175.3	165.6	0	0	0	0	111.4	V13 A60 R66 D68 V79	V13-V64 HydrophobicContact CG1-CG2 3.88Å; V13-V64 HydrophobicContact CG2-CG2 4.09Å; A60-V64 WeakPolarHBondContact O-CB 3.41Å; A60-V64 WeakPolarHBondContact O-CG2 3.5Å; A60-V64 PolarHBondContact O-N 2.8Å; V64-R66 VanDerWaalsContact C-N 3.29Å; V64-R66 PolarHBondContact O-N 2.94Å; V64-D68 VanDerWaalsContact O-CB 3.3Å; V64-D68 WeakPolarHBondContact O-CB 3.35Å; V64-D68 PolarHBondContact O-N 2.7Å; V64-D68 VanDerWaalsContact O-N 3.16Å; V64-V79 HydrophobicContact CB-CG1 4.44Å; V64-V79 HydrophobicContact CG2-CG1 3.95Å
65	R	91.6	Very high	88.4	Confident	198 Å²	198	73.3 Å²	73.3	75%	0.747	35%	0.351	S	S	*	.	H	α-helix	trans	-65.1	-26.1	-178	-72.3	171.4	-167.1	-152.3	12.8	114.6	D61 R62 A63	D61-R65 WeakPolarHBondContact O-CB 3.18Å; D61-R65 WeakPolarHBondContact O-CD 3.12Å; D61-R65 WeakPolarHBondContact O-CG 3.37Å; D61-R65 PolarHBondContact O-N 2.75Å; D61-R65 IonicContact OD2-CZ 3.13Å; D61-R65 IonicContact OD2-NE 2.77Å; D61-R65 PolarHBondContact OD2-NE 3.4Å; D61-R65 IonicContact OD2-NH2 2.68Å; D61-R65 PolarHBondContact OD2-NH2 3.17Å; R62-R65 PolarHBondContact O-N 3.39Å; A63-R65 PolarHBondContact O-N 3.05Å
66	R	91	Very high	88.2	Confident	191 Å²	191	75.6 Å²	75.6	72%	0.721	36%	0.356	S	S	*	.	H	α-helix	trans	-101.5	-28.5	-175.6	-171.4	55.1	169	179.4	-1.2	113.6	F34 R62 A63 V64	F34-R66 HydrophobicContact CE1-CB 3.67Å; F34-R66 HydrophobicContact CE1-CG 3.69Å; F34-R66 HydrophobicContact CZ-CB 3.92Å; F34-R66 HydrophobicContact CZ-CG 3.81Å; R62-R66 WeakPolarHBondContact O-CB 3.22Å; R62-R66 PolarHBondContact O-N 2.82Å; A63-R66 PolarHBondContact O-N 3.5Å; V64-R66 VanDerWaalsContact C-N 3.29Å; V64-R66 PolarHBondContact O-N 2.94Å
67	M	89.9	Confident	88.1	Confident	3 Å²	3	70 Å²	70	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-99.6	-19.2	-175.8	-61.9	-55.5	-65.9	0	0	114.1	E30 F31 F34 A63 G69 S70 P72 L77 V79	E30-M67 HydrophobicContact CG-CE 3.52Å; E30-M67 WeakPolarHBondContact OE1-CE 3.45Å; F31-M67 HydrophobicContact CD1-CG 4.27Å; F31-M67 HydrophobicContact CE1-CB 3.85Å; F31-M67 HydrophobicContact CE1-CG 3.75Å; F31-M67 HydrophobicContact CE2-CE 4.13Å; F31-M67 HydrophobicContact CE2-CG 4.46Å; F31-M67 HydrophobicContact CZ-CB 3.78Å; F31-M67 HydrophobicContact CZ-CE 4.26Å; F31-M67 HydrophobicContact CZ-CG 3.86Å; F34-M67 HydrophobicContact CD2-CG 4.32Å; F34-M67 HydrophobicContact CE2-CG 3.39Å; F34-M67 HydrophobicContact CE2-SD 3.68Å; F34-M67 HydrophobicContact CZ-CG 3.72Å; F34-M67 HydrophobicContact CZ-SD 3.69Å; A63-M67 VanDerWaalsContact O-CB 3.25Å; A63-M67 WeakPolarHBondContact O-CB 3.42Å; A63-M67 WeakPolarHBondContact O-CG 3.35Å; A63-M67 PolarHBondContact O-N 2.88Å; M67-G69 PolarHBondContact O-N 2.84Å; M67-S70 VanDerWaalsContact O-CB 3.25Å; M67-S70 WeakPolarHBondContact O-CB 3.43Å; M67-S70 PolarHBondContact O-N 2.96Å; M67-P72 HydrophobicContact CE-CG 4.11Å; M67-L77 HydrophobicContact CE-CD1 4.01Å; M67-V79 HydrophobicContact CB-CB 4.37Å; M67-V79 HydrophobicContact CB-CG1 4.48Å; M67-V79 HydrophobicContact CB-CG2 3.74Å
68	D	91	Very high	88.1	Confident	86 Å²	86	75.5 Å²	75.5	46%	0.46	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	119.8	173.6	-170.3	47.1	0	0	0	110.9	V64 S70 R78 V79	V64-D68 VanDerWaalsContact O-CB 3.3Å; V64-D68 WeakPolarHBondContact O-CB 3.35Å; V64-D68 PolarHBondContact O-N 2.7Å; V64-D68 VanDerWaalsContact O-N 3.16Å; D68-S70 VanDerWaalsContact C-N 3.34Å; D68-R78 VanDerWaalsContact OD1-CA 3.29Å; D68-R78 WeakPolarHBondContact OD1-CA 3.45Å; D68-V79 HydrophobicContact CB-CB 4.1Å; D68-V79 PolarHBondContact OD1-N 3.3Å
69	G	85.1	Confident	88.2	Confident	27 Å²	27	68.5 Å²	68.5	28%	0.278	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-4.2	-172.6	0	0	0	0	0	115.9	M67 L77	M67-G69 PolarHBondContact O-N 2.84Å; G69-L77 WeakPolarHBondContact CA-O 3.25Å; G69-L77 PolarHBondContact N-O 2.8Å
70	S	86.2	Confident	88.1	Confident	39 Å²	39	72.1 Å²	72.1	27%	0.273	33%	0.334	S	S	.	.			trans	-68	160.6	176.5	-167.1	0	0	0	0	112.2	M67 D68 L77	M67-S70 VanDerWaalsContact O-CB 3.25Å; M67-S70 WeakPolarHBondContact O-CB 3.43Å; M67-S70 PolarHBondContact O-N 2.96Å; D68-S70 VanDerWaalsContact C-N 3.34Å; S70-L77 PolarHBondContact O-N 3.31Å
71	R	86.4	Confident	88	Confident	171 Å²	171	73.7 Å²	73.7	65%	0.645	34%	0.341	S	S	*	.			trans	-134	50.6	-177.5	-55.3	-169	-169.4	-164.9	7.8	114	F73 G74 S75 R76	R71-F73 PolarHBondContact O-N 2.83Å; R71-F73 VanDerWaalsContact O-N 3.17Å; R71-G74 PolarHBondContact O-N 3.08Å; R71-S75 WeakPolarHBondContact CA-O 3.24Å; R71-R76 HydrophobicContact CG-CB 4.35Å
72	P	76.4	Confident	87.6	Confident	47 Å²	47	73 Å²	73	31%	0.305	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.3	-177	25	-34	0	0	0	113.1	E30 M67 L77	E30-P72 HydrophobicContact CG-CB 4.28Å; E30-P72 HydrophobicContact CG-CG 4.3Å; M67-P72 HydrophobicContact CE-CG 4.11Å; P72-L77 HydrophobicContact CG-CD1 3.65Å; P72-L77 HydrophobicContact CG-CG 4.33Å
73	F	77.4	Confident	86.6	Confident	64 Å²	64	70 Å²	70	28%	0.281	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	28.6	-178.3	-45.7	-65.2	0	0	0	112.2	V22 D26 R71 S75	V22-F73 HydrophobicContact CB-CD2 4.3Å; V22-F73 HydrophobicContact CB-CG 4.47Å; V22-F73 HydrophobicContact CG1-CD1 4.43Å; V22-F73 HydrophobicContact CG1-CD2 3.7Å; V22-F73 HydrophobicContact CG1-CE1 4.25Å; V22-F73 HydrophobicContact CG1-CE2 3.49Å; V22-F73 VanDerWaalsContact CG1-CE2 3.49Å; V22-F73 HydrophobicContact CG1-CG 4.18Å; V22-F73 HydrophobicContact CG1-CZ 3.8Å; V22-F73 HydrophobicContact CG2-CB 3.63Å; V22-F73 HydrophobicContact CG2-CD1 3.85Å; V22-F73 HydrophobicContact CG2-CD2 3.62Å; V22-F73 HydrophobicContact CG2-CE1 4.45Å; V22-F73 HydrophobicContact CG2-CE2 4.26Å; V22-F73 HydrophobicContact CG2-CG 3.4Å; D26-F73 HydrophobicContact CB-CE1 3.93Å; D26-F73 HydrophobicContact CB-CZ 3.81Å; R71-F73 PolarHBondContact O-N 2.83Å; R71-F73 VanDerWaalsContact O-N 3.17Å; F73-S75 PolarHBondContact O-N 2.84Å
74	G	79.2	Confident	85.3	Confident	56 Å²	56	72.2 Å²	72.2	58%	0.577	35%	0.348	S	S	*	.	S	Bend	trans	73.7	-41.1	-172.9	0	0	0	0	0	114.3	R71	R71-G74 PolarHBondContact O-N 3.08Å
75	S	81.7	Confident	83.6	Confident	43 Å²	43	76.2 Å²	76.2	30%	0.301	37%	0.369	S	S	.	.	S	Bend	trans	-70.4	140.7	174.2	-72.2	0	0	0	0	112.3	G17 R71 F73 L77	G17-S75 WeakPolarHBondContact O-CB 3.44Å; R71-S75 WeakPolarHBondContact CA-O 3.24Å; F73-S75 PolarHBondContact O-N 2.84Å; S75-L77 PolarHBondContact O-N 2.87Å
76	R	87.2	Confident	81.9	Confident	168 Å²	168	74.2 Å²	74.2	63%	0.634	37%	0.366	S	S	*	.			trans	-79.1	111.5	-179.1	-178.4	-175.1	176.2	172	3	110.9	R71	R71-R76 HydrophobicContact CG-CB 4.35Å
77	L	90.3	Very high	80	Confident	2 Å²	2	68 Å²	68	1%	0.01	35%	0.349	C	S	.	.			trans	-70.6	137.8	171.6	-57.5	-175.8	0	0	0	110.7	V15 G16 V18 F31 M67 G69 S70 P72 S75 V79	V15-L77 HydrophobicContact CG1-CB 4.45Å; V15-L77 HydrophobicContact CG1-CD1 4.26Å; V15-L77 HydrophobicContact CG1-CD2 4Å; V15-L77 HydrophobicContact CG1-CG 4.47Å; G16-L77 CarbonylContact O-C 3.55Å; G16-L77 WeakPolarHBondContact O-CA 3.48Å; V18-L77 HydrophobicContact CG2-CD2 4.16Å; F31-L77 HydrophobicContact CE2-CD1 4.32Å; F31-L77 HydrophobicContact CZ-CD1 4.49Å; M67-L77 HydrophobicContact CE-CD1 4.01Å; G69-L77 WeakPolarHBondContact CA-O 3.25Å; G69-L77 PolarHBondContact N-O 2.8Å; S70-L77 PolarHBondContact O-N 3.31Å; P72-L77 HydrophobicContact CG-CD1 3.65Å; P72-L77 HydrophobicContact CG-CG 4.33Å; S75-L77 PolarHBondContact O-N 2.87Å; L77-V79 HydrophobicContact CB-CG2 4.12Å
78	R	90.5	Very high	78.3	Confident	142 Å²	142	69.6 Å²	69.6	54%	0.536	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.7	162	171.5	-177.9	168.7	-176.9	-1	107.5	V15 G16 D68 E80	V15-R78 CarbonylContact C-O 3.57Å; V15-R78 WeakPolarHBondContact CA-O 3.28Å; G16-R78 PolarHBondContact N-O 2.91Å; G16-R78 PolarHBondContact O-N 2.88Å; D68-R78 VanDerWaalsContact OD1-CA 3.29Å; D68-R78 WeakPolarHBondContact OD1-CA 3.45Å; R78-E80 IonicContact CZ-OE2 3.4Å; R78-E80 IonicContact NE-OE2 3.31Å; R78-E80 PolarHBondContact NE-OE2 2.79Å; R78-E80 IonicContact NH2-OE2 2.83Å; R78-E80 PolarHBondContact NH2-OE2 3.01Å
79	V	92.9	Very high	76.3	Confident	4 Å²	4	71.7 Å²	71.7	2%	0.024	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.4	-174.1	-170.5	0	0	0	0	110.1	V13 F14 V15 F31 V64 M67 D68 L77	V13-V79 HydrophobicContact CG1-CG1 3.41Å; V13-V79 VanDerWaalsContact CG1-CG1 3.41Å; F14-V79 WeakPolarHBondContact O-CA 3.08Å; V15-V79 HydrophobicContact CG1-CG2 4.32Å; V15-V79 HydrophobicContact CG2-CG1 4.36Å; V15-V79 HydrophobicContact CG2-CG2 4.43Å; F31-V79 HydrophobicContact CE1-CG1 4.13Å; F31-V79 HydrophobicContact CZ-CG1 4.48Å; F31-V79 HydrophobicContact CZ-CG2 4.15Å; V64-V79 HydrophobicContact CB-CG1 4.44Å; V64-V79 HydrophobicContact CG2-CG1 3.95Å; M67-V79 HydrophobicContact CB-CB 4.37Å; M67-V79 HydrophobicContact CB-CG1 4.48Å; M67-V79 HydrophobicContact CB-CG2 3.74Å; D68-V79 HydrophobicContact CB-CB 4.1Å; D68-V79 PolarHBondContact OD1-N 3.3Å; L77-V79 HydrophobicContact CB-CG2 4.12Å
80	E	91.1	Very high	74.7	Confident	84 Å²	84	74.2 Å²	74.2	39%	0.393	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.9	-170.6	-167.6	175.6	154.6	0	0	111.8	F14 R78 A82	F14-E80 HydrophobicContact CD1-CB 4.41Å; F14-E80 PolarHBondContact N-O 3.07Å; F14-E80 PolarHBondContact O-N 2.67Å; R78-E80 IonicContact CZ-OE2 3.4Å; R78-E80 IonicContact NE-OE2 3.31Å; R78-E80 PolarHBondContact NE-OE2 2.79Å; R78-E80 IonicContact NH2-OE2 2.83Å; R78-E80 PolarHBondContact NH2-OE2 3.01Å; E80-A82 PolarHBondContact O-N 3.08Å
81	H	89.9	Confident	73.1	Confident	34 Å²	34	79.7 Å²	79.7	16%	0.157	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	114.5	172.9	-73.5	-68.9	0	0	0	110.9	P2 D61 V83	P2-H81 WeakPolarHBondContact CA-ND1 3.17Å; P2-H81 WeakPolarHBondContact CB-ND1 3.35Å; D61-H81 IonicContact OD1-CD2 3.79Å; D61-H81 IonicContact OD1-CE1 3.4Å; D61-H81 PolarHBondContact OD1-CE1 2.89Å; D61-H81 IonicContact OD1-NE2 2.7Å; D61-H81 PolarHBondContact OD1-NE2 3.3Å; H81-V83 PolarHBondContact O-N 3.01Å
82	A	84.1	Confident	71.4	Confident	15 Å²	15	81.3 Å²	81.3	12%	0.124	41%	0.408	C	S	.	.			trans	-68.5	124.7	-171.6	0	0	0	0	0	111.6	R12 F14 F51 E80	R12-A82 HydrophobicContact CB-CB 4.01Å; R12-A82 HydrophobicContact CG-CB 3.72Å; R12-A82 VanDerWaalsContact O-CB 3.24Å; R12-A82 WeakPolarHBondContact O-CB 3.43Å; R12-A82 PolarHBondContact O-N 2.69Å; F14-A82 HydrophobicContact CB-CB 4.26Å; F51-A82 HydrophobicContact CD1-CB 4Å; F51-A82 HydrophobicContact CE1-CB 3.9Å; E80-A82 PolarHBondContact O-N 3.08Å
83	V	71.5	Confident	70.1	Confident	74 Å²	74	85 Å²	85	45%	0.448	42%	0.421	S	S	.	.			trans	-90.1	115.5	175.3	-71.7	0	0	0	0	111	H81 N85	H81-V83 PolarHBondContact O-N 3.01Å; V83-N85 VanDerWaalsContact C-N 3.27Å; V83-N85 PolarHBondContact O-N 2.8Å
84	N	64.5	Low	68.8	Low	47 Å²	47	87.5 Å²	87.5	25%	0.251	44%	0.437	S	S	.	.			trans	-71.5	80.7	175.8	56.9	3.3	0	0	0	111.7	D5 K86 T87	D5-N84 PolarHBondContact OD1-ND2 3.19Å; N84-K86 PolarHBondContact O-N 2.88Å; N84-T87 PolarHBondContact O-N 2.81Å
85	N	58	Low	67.3	Low	106 Å²	106	94.8 Å²	94.8	57%	0.567	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-5.6	-173.4	-79.3	-29.9	0	0	0	115.5	V83 T87 A88	V83-N85 VanDerWaalsContact C-N 3.27Å; V83-N85 PolarHBondContact O-N 2.8Å; N85-T87 PolarHBondContact O-N 2.89Å; N85-T87 VanDerWaalsContact O-N 3.12Å; N85-A88 HydrophobicContact CB-CB 4.17Å; N85-A88 WeakPolarHBondContact O-CB 3.33Å; N85-A88 PolarHBondContact O-N 2.78Å
86	K	55.3	Low	65.7	Low	156 Å²	156	96.2 Å²	96.2	68%	0.678	46%	0.457	S	S	*	.	H	α-helix	trans	-54.7	-24.5	166.6	-71.1	-179	178.8	178.1	0	112.9	Q7 N84	Q7-K86 VanDerWaalsContact OE1-CD 3.29Å; N84-K86 PolarHBondContact O-N 2.88Å
87	T	52.4	Low	63.7	Low	60 Å²	60	98 Å²	98	37%	0.368	46%	0.464	S	S	.	.	H	α-helix	trans	-99.8	2.1	169.8	69.7	0	0	0	0	115.1	N84 N85 S90 R91	N84-T87 PolarHBondContact O-N 2.81Å; N85-T87 PolarHBondContact O-N 2.89Å; N85-T87 VanDerWaalsContact O-N 3.12Å; T87-S90 PolarHBondContact O-OG 2.85Å; T87-R91 VanDerWaalsContact CB-NH1 3.33Å; T87-R91 WeakPolarHBondContact O-CG 3.47Å; T87-R91 PolarHBondContact O-NH1 3.19Å; T87-R91 PolarHBondContact OG1-NH1 3.26Å
88	A	53.2	Low	61.5	Low	37 Å²	37	102.3 Å²	102.3	31%	0.306	49%	0.494	S	S	.	.	H	α-helix	trans	-80.3	-36	174	0	0	0	0	0	111.7	N85	N85-A88 HydrophobicContact CB-CB 4.17Å; N85-A88 WeakPolarHBondContact O-CB 3.33Å; N85-A88 PolarHBondContact O-N 2.78Å
89	N	49.3	Very low	59.2	Low	129 Å²	129	105.8 Å²	105.8	69%	0.69	51%	0.507	S	S	*	.	H	α-helix	trans	-69.5	-45.9	-179.5	-158.3	4.6	0	0	0	112	R91 R92	N89-R91 VanDerWaalsContact C-N 3.27Å; N89-R91 PolarHBondContact O-N 3.12Å; N89-R92 PolarHBondContact O-N 2.75Å
90	S	52.1	Low	56.8	Low	80 Å²	80	110 Å²	110	56%	0.559	54%	0.537	S	S	*	.	H	α-helix	trans	-59.1	-34.6	178.1	54.2	0	0	0	0	113.6	T87 R92	T87-S90 PolarHBondContact O-OG 2.85Å; S90-R92 VanDerWaalsContact C-N 3.3Å; S90-R92 PolarHBondContact O-N 3.41Å
91	R	51.2	Low	54.5	Low	155 Å²	155	114.8 Å²	114.8	59%	0.585	55%	0.553	S	S	*	*	H	α-helix	trans	-77.6	-7	176.4	-63.6	-173.5	-169.1	99.1	-5.1	114.6	T87 N89	T87-R91 VanDerWaalsContact CB-NH1 3.33Å; T87-R91 WeakPolarHBondContact O-CG 3.47Å; T87-R91 PolarHBondContact O-NH1 3.19Å; T87-R91 PolarHBondContact OG1-NH1 3.26Å; N89-R91 VanDerWaalsContact C-N 3.27Å; N89-R91 PolarHBondContact O-N 3.12Å
92	R	50.6	Low	52.4	Low	205 Å²	205	117 Å²	117	77%	0.774	57%	0.572	S	S	*	*	H	α-helix	trans	-91	-22.7	174.1	-74.9	-172.7	175.9	-158.3	-0.1	113.4	N89 S90	N89-R92 PolarHBondContact O-N 2.75Å; S90-R92 VanDerWaalsContact C-N 3.3Å; S90-R92 PolarHBondContact O-N 3.41Å
93	H	48.9	Very low	50.4	Low	124 Å²	124	122.5 Å²	122.5	57%	0.574	59%	0.593	S	S	*	*	H	α-helix	trans	-78.9	-27.3	180	-157.8	100.8	0	0	0	113.8	S96	H93-S96 PolarHBondContact O-OG 2.98Å
94	D	50.7	Low	49	Very low	117 Å²	117	129 Å²	129	63%	0.626	61%	0.609	S	S	*	*	H	α-helix	trans	-71.3	-36.3	-178.3	-175.6	-104.2	0	0	0	113.4	S96 R97 S98	D94-S96 VanDerWaalsContact C-N 3.28Å; D94-S96 PolarHBondContact O-N 3.23Å; D94-R97 PolarHBondContact O-N 3.41Å; D94-S98 PolarHBondContact O-OG 3.25Å
95	R	48	Very low	48	Very low	208 Å²	208	134.1 Å²	134.1	79%	0.785	63%	0.626	S	S	*	*	H	α-helix	trans	-77.2	-5.5	-172.3	-72.2	-179.3	170.4	160.8	-2.9	115.4
96	S	48.7	Very low	47.3	Very low	74 Å²	74	134.9 Å²	134.9	52%	0.517	62%	0.62	S	S	.	*	H	α-helix	trans	-98.7	-19.3	175.4	48.7	0	0	0	0	113.4	H93 D94	H93-S96 PolarHBondContact O-OG 2.98Å; D94-S96 VanDerWaalsContact C-N 3.28Å; D94-S96 PolarHBondContact O-N 3.23Å
97	R	44.8	Very low	46.8	Very low	205 Å²	205	131.6 Å²	131.6	77%	0.774	61%	0.61	S	S	*	*	H	α-helix	trans	-97.6	-12.1	-173.8	-140.7	168.3	-169.2	132.8	-0.3	114.8	D94 R99	D94-R97 PolarHBondContact O-N 3.41Å; R97-R99 PolarHBondContact O-N 2.61Å
98	S	43.2	Very low	46.5	Very low	92 Å²	92	130.4 Å²	130.4	64%	0.643	61%	0.605	S	S	*	*			trans	-78.6	9.6	175.3	34	0	0	0	0	114.4	D94 S100	D94-S98 PolarHBondContact O-OG 3.25Å; S98-S100 VanDerWaalsContact C-N 3.28Å; S98-S100 PolarHBondContact O-N 3.41Å
99	R	42.7	Very low	46.5	Very low	215 Å²	215	133.9 Å²	133.9	81%	0.811	62%	0.624	S	S	*	*	S	Bend	trans	-72.2	77.1	172.9	-82.5	-175.5	170.9	151.6	-1.8	113	R97 Y101	R97-R99 PolarHBondContact O-N 2.61Å; R99-Y101 PolarHBondContact O-N 3.4Å
100	S	43.2	Very low	46.5	Very low	93 Å²	93	133.7 Å²	133.7	65%	0.65	63%	0.63	S	S	*	*			trans	58.4	51.7	143.1	59.4	0	0	0	0	118.1	S98 S102	S98-S100 VanDerWaalsContact C-N 3.28Å; S98-S100 PolarHBondContact O-N 3.41Å; S100-S102 PolarHBondContact O-N 3.38Å
101	Y	41.3	Very low	46.1	Very low	185 Å²	185	136.2 Å²	136.2	73%	0.725	63%	0.627	S	S	*	*			trans	-68.7	58.6	145.7	-176.4	-116.5	0	0	0	110.2	R99 K103	R99-Y101 PolarHBondContact O-N 3.4Å; Y101-K103 HydrophobicContact CD1-CB 4.36Å; Y101-K103 HydrophobicContact CE1-CB 4.01Å; Y101-K103 HydrophobicContact CE1-CD 3.61Å; Y101-K103 HydrophobicContact CE1-CG 4Å; Y101-K103 PolarHBondContact O-N 3.16Å; Y101-K103 WeakPolarHBondContact OH-CE 3.29Å; Y101-K103 PolarHBondContact OH-NZ 2.79Å
102	S	46.1	Very low	45.6	Very low	79 Å²	79	140.8 Å²	140.8	55%	0.552	64%	0.644	S	S	*	*			trans	-74.5	83.4	176.8	59.2	0	0	0	0	108.4	S100 R104	S100-S102 PolarHBondContact O-N 3.38Å; S102-R104 PolarHBondContact O-N 2.83Å
103	K	43.7	Very low	45.2	Very low	132 Å²	132	140.3 Å²	140.3	57%	0.574	64%	0.643	S	S	*	*			trans	-66.7	55.9	-176.7	-161.4	-179.4	-164.5	145	0	111.8	Y101 R105	Y101-K103 HydrophobicContact CD1-CB 4.36Å; Y101-K103 HydrophobicContact CE1-CB 4.01Å; Y101-K103 HydrophobicContact CE1-CD 3.61Å; Y101-K103 HydrophobicContact CE1-CG 4Å; Y101-K103 PolarHBondContact O-N 3.16Å; Y101-K103 WeakPolarHBondContact OH-CE 3.29Å; Y101-K103 PolarHBondContact OH-NZ 2.79Å; K103-R105 PolarHBondContact O-N 2.85Å
104	R	41.3	Very low	45	Very low	209 Å²	209	140.5 Å²	140.5	79%	0.789	65%	0.653	S	S	*	*			trans	-69.3	58.8	-179.8	-69.8	-167.8	-176.6	-122.2	5	112.1	S102 R106 T172	S102-R104 PolarHBondContact O-N 2.83Å; R104-R106 PolarHBondContact O-N 3.26Å; R104-T172 PolarHBondContact O-OG1 2.8Å; R104-T172 VanDerWaalsContact O-OG1 3.08Å
105	R	43.4	Very low	44.8	Very low	156 Å²	156	140.9 Å²	140.9	59%	0.589	66%	0.662	S	S	*	*			trans	-57.7	129.9	146.3	-63.3	-166.1	170.2	-152.1	-2.7	106.4	K103	K103-R105 PolarHBondContact O-N 2.85Å
106	R	42.6	Very low	44.5	Very low	121 Å²	121	137.1 Å²	137.1	46%	0.457	66%	0.661	S	S	.	*			trans	79.5	97.2	150.7	-67.7	178.4	173.1	-124.9	1.7	115.7	R104 P168 R169 S170 R171 T172	R104-R106 PolarHBondContact O-N 3.26Å; R106-P168 PolarHBondContact NH1-O 2.7Å; R106-R169 WeakPolarHBondContact CD-O 3.12Å; R106-R169 PolarHBondContact NH1-O 2.78Å; R106-S170 CarbonylContact C-O 3.52Å; R106-S170 WeakPolarHBondContact CA-O 3.48Å; R106-S170 WeakPolarHBondContact CB-O 3.4Å; R106-R171 HydrophobicContact CB-CG 4.35Å; R106-R171 VanDerWaalsContact CB-N 3.32Å; R106-R171 HydrophobicContact CG-CB 3.7Å; R106-R171 HydrophobicContact CG-CG 3.48Å; R106-R171 VanDerWaalsContact CG-CG 3.48Å; R106-R171 VanDerWaalsContact CG-N 3.34Å; R106-T172 PolarHBondContact N-OG1 3.4Å
107	D	46	Very low	43.8	Very low	87 Å²	87	145.2 Å²	145.2	47%	0.465	68%	0.68	S	S	.	*				-156.5	158	69.2	-154.3	-62.9	0	0	0	115.1	S170 R171 T172	D107-S170 VanDerWaalsContact OD2-CB 3.29Å; D107-S170 WeakPolarHBondContact OD2-CB 3.11Å; D107-S170 PolarHBondContact OD2-OG 3.32Å; D107-R171 CarbonylContact C-O 3.45Å; D107-R171 VanDerWaalsContact CA-N 3.34Å; D107-T172 VanDerWaalsContact C-N 3.32Å; D107-T172 VanDerWaalsContact O-CA 3.29Å; D107-T172 WeakPolarHBondContact O-CA 3.29Å; D107-T172 VanDerWaalsContact O-CG2 3.29Å; D107-T172 WeakPolarHBondContact O-CG2 3.4Å
108	S	45.4	Very low	43.4	Very low	36 Å²	36	146.4 Å²	146.4	25%	0.252	69%	0.685	S	S	.	*			trans	-150.3	137.7	170.2	63.9	0	0	0	0	115.2	R171 P173	S108-R171 WeakPolarHBondContact CB-O 3.29Å; S108-R171 PolarHBondContact N-O 3.32Å; S108-R171 PolarHBondContact OG-O 3.24Å; S108-P173 WeakPolarHBondContact CB-O 3.07Å
109	P	53.3	Low	43	Very low	109 Å²	109	146.6 Å²	146.6	71%	0.708	69%	0.686	S	S	*	*			trans	-89.6	144.8	162.2	17.3	-1.7	0	0	0	111.8
110	P	50.3	Low	42.8	Very low	126 Å²	126	141.9 Å²	141.9	82%	0.818	69%	0.686	S	S	*	*			trans	-66.3	141.2	171.9	29	-34.4	0	0	0	110.9	R112	P110-R112 PolarHBondContact O-N 2.73Å
111	R	43.6	Very low	42.5	Very low	133 Å²	133	142.8 Å²	142.8	50%	0.502	69%	0.692	S	S	.	*			trans	-72.5	111.1	-177.5	-74.3	179.8	163	-100.3	-32.1	111.5	R113 S174 R175 Q176	R111-R113 PolarHBondContact O-N 3.46Å; R111-S174 PolarHBondContact NE-O 3.12Å; R111-S174 VanDerWaalsContact NE-O 3.12Å; R111-S174 PolarHBondContact NH2-O 2.88Å; R111-R175 PolarHBondContact NE-O 2.87Å; R111-R175 PolarHBondContact NH1-O 3.02Å; R111-R175 PolarHBondContact NH2-O 2.97Å; R111-Q176 VanDerWaalsContact CZ-O 3.28Å; R111-Q176 PolarHBondContact NH1-O 2.89Å; R111-Q176 PolarHBondContact NH2-O 2.86Å
112	R	40.2	Very low	42.4	Very low	251 Å²	251	137.2 Å²	137.2	95%	0.947	69%	0.691	S	S	*	*			trans	-57.3	116.9	151.2	-71.3	-174.8	176.5	-137.2	0.8	108	P110	P110-R112 PolarHBondContact O-N 2.73Å
113	R	41.3	Very low	42	Very low	195 Å²	195	145.2 Å²	145.2	74%	0.736	71%	0.709	S	S	*	*			trans	-130.1	148.8	159	-99.9	-171.5	169.9	-179.8	-4.3	109.7	R111	R111-R113 PolarHBondContact O-N 3.46Å
114	T	45.5	Very low	41.7	Very low	128 Å²	128	150 Å²	150	79%	0.785	72%	0.724	S	S	*	*			trans	-88.6	157.5	-157.2	36.9	0	0	0	0	113.2
115	P	45.7	Very low	41.7	Very low	125 Å²	125	144.3 Å²	144.3	81%	0.812	72%	0.716	S	S	*	*			trans	-80	123.6	-179.8	31.8	-33.4	0	0	0	111.5
116	V	42.1	Very low	41.3	Very low	129 Å²	129	142.6 Å²	142.6	78%	0.782	72%	0.719	S	S	*	*			trans	-137.8	110.3	155.9	-174.5	0	0	0	0	108.4
117	R	34.9	Very low	41.5	Very low	243 Å²	243	144.6 Å²	144.6	92%	0.917	73%	0.731	S	S	*	*			trans	-100.4	124.6	159.9	-68.2	-176.9	177.1	-162.1	0.5	107.1
118	R	36.7	Very low	41.4	Very low	231 Å²	231	150.8 Å²	150.8	87%	0.872	75%	0.748	S	S	*	*			trans	146.4	137.8	172.8	-88.5	160.6	-178.6	-171.9	0.6	107.2
119	S	34	Very low	41.3	Very low	96 Å²	96	155.3 Å²	155.3	67%	0.671	77%	0.769	S	S	*	*			cis	-157.2	165.4	-6.8	-76.6	0	0	0	0	108.7
120	S	37.5	Very low	40.6	Very low	115 Å²	115	154.4 Å²	154.4	80%	0.804	76%	0.762	S	S	*	*			trans	65.8	165	159	-68	0	0	0	0	116.8
121	S	37.7	Very low	40.1	Very low	112 Å²	112	159 Å²	159	78%	0.783	76%	0.763	S	S	*	*			cis	-170	151.6	-29.4	53.4	0	0	0	0	109
122	G	38.4	Very low	40	Very low	68 Å²	68	162.4 Å²	162.4	70%	0.701	78%	0.776	S	S	*	*			trans	108.7	113.2	-177.2	0	0	0	0	0	109.6
123	R	37.6	Very low	40.2	Very low	248 Å²	248	157.8 Å²	157.8	94%	0.936	76%	0.764	S	S	*	*			cis	69.2	136.1	38	-57.5	-170	177.1	-113.4	7.9	114.1
124	R	38.3	Very low	40.3	Very low	233 Å²	233	153.6 Å²	153.6	88%	0.879	77%	0.765	S	S	*	*			trans	70.7	116	-178.9	-64.2	178.9	165.8	157.4	-5.3	113.2
125	S	40.5	Very low	40.6	Very low	89 Å²	89	153.3 Å²	153.3	62%	0.622	77%	0.765	S	S	*	*			cis	78.4	150.8	46.5	87.1	0	0	0	0	111.9
126	D	35.3	Very low	40.7	Very low	120 Å²	120	153.4 Å²	153.4	64%	0.642	77%	0.766	S	S	*	*			cis	-146.3	-175.3	18.9	-100.1	-60.5	0	0	0	112.5
127	F	47.8	Very low	40.4	Very low	163 Å²	163	150.9 Å²	150.9	72%	0.715	77%	0.766	S	S	*	*			trans	89.7	118.7	154.9	-52	-66	0	0	0	121
128	R	42.6	Very low	40.5	Very low	217 Å²	217	149.2 Å²	149.2	82%	0.819	76%	0.761	S	S	*	*				46.8	139.7	124.8	-58.3	179.1	-172.2	175	1.2	118.7
129	D	43.2	Very low	40.6	Very low	131 Å²	131	146.4 Å²	146.4	70%	0.701	76%	0.758	S	S	*	*			cis	-164.3	162.6	1.5	-126.4	-54.4	0	0	0	104.8
130	T	39.9	Very low	40.7	Very low	90 Å²	90	152.1 Å²	152.1	55%	0.552	77%	0.765	S	S	*	*			cis	-150.5	160.4	21.3	20.7	0	0	0	0	109.6
131	R	38.3	Very low	40.8	Very low	223 Å²	223	153.4 Å²	153.4	84%	0.842	76%	0.763	S	S	*	*			trans	33.9	122.1	138.7	-48.2	163	-156	-161.7	5.7	116.4
132	R	41.8	Very low	40.6	Very low	204 Å²	204	160 Å²	160	77%	0.77	77%	0.771	S	S	*	*				-178.8	138.4	54.4	173.7	179.4	-91.4	-104	12.7	111.6
133	H	45.6	Very low	40.9	Very low	153 Å²	153	162.5 Å²	162.5	71%	0.708	78%	0.777	S	S	*	*			trans	65.6	103.3	164.1	-57.4	-27.9	0	0	0	121.3
134	S	42.9	Very low	40.9	Very low	108 Å²	108	154.6 Å²	154.6	76%	0.755	77%	0.773	S	S	*	*			trans	-72.2	164.9	132.1	-38	0	0	0	0	109.6
135	P	52.9	Low	40.8	Very low	122 Å²	122	151.2 Å²	151.2	79%	0.792	77%	0.767	S	S	*	*				-135.8	172.2	69.7	21	2.6	0	0	0	115.2
136	P	47.9	Very low	40.9	Very low	127 Å²	127	154.2 Å²	154.2	83%	0.825	77%	0.771	S	S	*	*			trans	-97	167.5	-177.6	39	-35.3	0	0	0	113.8
137	G	35.2	Very low	41	Very low	76 Å²	76	153.4 Å²	153.4	78%	0.784	77%	0.767	S	S	*	*			trans	-161.7	124.1	167.3	0	0	0	0	0	111.3
138	Y	36.7	Very low	40.4	Very low	207 Å²	207	155.7 Å²	155.7	81%	0.812	77%	0.771	S	S	*	*			trans	-105.6	135.6	171.6	51.6	-90.5	0	0	0	108.6
139	E	39.6	Very low	40.3	Very low	172 Å²	172	155 Å²	155	80%	0.804	77%	0.769	S	S	*	*			trans	-176.4	114.4	147.4	-103.2	163.2	-171.7	0	0	106.1
140	R	34.2	Very low	39.9	Very low	216 Å²	216	160.7 Å²	160.7	82%	0.815	78%	0.781	S	S	*	*				64.3	98.6	71.3	-158.9	-162.3	-163.9	176	5.9	111.4
141	N	40.6	Very low	39.8	Very low	143 Å²	143	162.3 Å²	162.3	77%	0.765	79%	0.791	S	S	*	*				-178.1	148.5	112.4	-88.5	-43.3	0	0	0	111.4
142	R	33.3	Very low	39.7	Very low	250 Å²	250	162.8 Å²	162.8	94%	0.943	79%	0.793	S	S	*	*			trans	-111	131.8	162.1	-84.7	-179.8	171.4	159.7	-4.5	107.4
143	S	45.3	Very low	39.7	Very low	120 Å²	120	157.6 Å²	157.6	84%	0.839	79%	0.788	S	S	*	*			trans	-152.4	162.8	169.2	52.2	0	0	0	0	108.8
144	G	37.9	Very low	39.6	Very low	83 Å²	83	158.2 Å²	158.2	86%	0.856	79%	0.791	S	S	*	*			trans	86.3	78.1	172.5	0	0	0	0	0	115.7
145	H	36.2	Very low	39.8	Very low	162 Å²	162	158.4 Å²	158.4	75%	0.75	79%	0.792	S	S	*	*			trans	-104.3	122.2	146.3	162.6	-66.1	0	0	0	106.9
146	E	41.5	Very low	39.7	Very low	152 Å²	152	157.6 Å²	157.6	71%	0.71	79%	0.789	S	S	*	*			trans	-170.9	152.7	143.5	-114.7	-171.4	103.6	0	0	112.1	R148	E146-R148 IonicContact OE1-NH2 2.79Å; E146-R148 PolarHBondContact OE1-NH2 3.08Å
147	D	38.4	Very low	39.7	Very low	102 Å²	102	156.6 Å²	156.6	55%	0.545	79%	0.785	S	S	.	*			trans	-75	154	179.9	-53.6	-103.8	0	0	0	113.3
148	R	35.1	Very low	40	Very low	212 Å²	212	162.5 Å²	162.5	80%	0.8	79%	0.789	S	S	*	*				-165.9	130.8	123.4	-100.8	143.6	-134.1	-179.1	11.1	115	E146	E146-R148 IonicContact OE1-NH2 2.79Å; E146-R148 PolarHBondContact OE1-NH2 3.08Å
149	Y	39.2	Very low	40.2	Very low	202 Å²	202	164.3 Å²	164.3	79%	0.792	80%	0.795	S	S	*	*			trans	-43.9	144.3	168.1	-44.5	-98.3	0	0	0	115.3
150	R	36	Very low	40.6	Very low	250 Å²	250	161.2 Å²	161.2	94%	0.943	79%	0.792	S	S	*	*				-161.9	160	123.1	-110.6	163	-176.4	167.4	1.5	113.2
151	T	38.3	Very low	41.3	Very low	124 Å²	124	155.9 Å²	155.9	76%	0.761	79%	0.788	S	S	*	*			trans	-121.1	146	-164.5	49.2	0	0	0	0	112.8
152	R	35.5	Very low	41.4	Very low	233 Å²	233	157.4 Å²	157.4	88%	0.879	79%	0.788	S	S	*	*			trans	171.5	130.5	136.5	-94.1	160.6	170.3	171	-3.4	108.3
153	S	41	Very low	41.7	Very low	95 Å²	95	152 Å²	152	66%	0.664	77%	0.773	S	S	*	*			cis	101.4	144.6	44.1	-70.3	0	0	0	0	111.9
154	H	43.2	Very low	41.8	Very low	167 Å²	167	155.4 Å²	155.4	77%	0.773	77%	0.772	S	S	*	*			trans	108.2	109.3	175.8	-62.8	91	0	0	0	113.2
155	S	47.7	Very low	41.8	Very low	111 Å²	111	156.4 Å²	156.4	78%	0.776	77%	0.773	S	S	*	*				90.9	136.8	73.7	-71.1	0	0	0	0	111.3
156	S	50.7	Low	41.8	Very low	105 Å²	105	153.9 Å²	153.9	73%	0.734	77%	0.774	S	S	*	*			cis	-160	-179.3	3.3	64.3	0	0	0	0	112.1
157	S	48.2	Very low	41.9	Very low	106 Å²	106	158.4 Å²	158.4	74%	0.741	78%	0.784	S	S	*	*			trans	57.3	131.9	166.7	68.9	0	0	0	0	119.1
158	K	42.6	Very low	42.1	Very low	200 Å²	200	158.2 Å²	158.2	87%	0.87	79%	0.789	S	S	*	*			cis	92.9	86.2	27.3	-70.2	-172.7	174.6	179.3	0	116.7
159	R	40.2	Very low	42.3	Very low	245 Å²	245	158.7 Å²	158.7	93%	0.925	79%	0.79	S	S	*	*				178	131.2	127.9	-97	166.1	174.5	-174.9	-2.3	108.8
160	S	48.7	Very low	42.5	Very low	107 Å²	107	152 Å²	152	75%	0.748	77%	0.773	S	S	*	*				64.9	130.5	84.3	-147.1	0	0	0	0	112.9
161	S	47.4	Very low	42.7	Very low	104 Å²	104	145.9 Å²	145.9	73%	0.727	75%	0.75	S	S	*	*			cis	-151	143.8	21.1	-45.8	0	0	0	0	114.9
162	K	42.6	Very low	43	Very low	176 Å²	176	142.4 Å²	142.4	77%	0.765	73%	0.729	S	S	*	*			trans	30.6	125.9	139.1	-86.1	177	167.6	179.7	0	122.6
163	H	40.9	Very low	43.3	Very low	136 Å²	136	135.3 Å²	135.3	63%	0.63	71%	0.713	S	S	*	*				100.3	122.6	129.3	-69.5	-32.7	0	0	0	122.2
164	K	45.8	Very low	43.4	Very low	191 Å²	191	134.2 Å²	134.2	83%	0.83	71%	0.705	S	S	*	*			trans	55.1	131.6	138.5	-56.8	177.9	-175.7	179.9	0	117.4
165	A	37.9	Very low	43.4	Very low	104 Å²	104	136.1 Å²	136.1	86%	0.86	71%	0.706	S	S	*	*			cis	-150	174.8	39.6	0	0	0	0	0	114.1
166	S	36.8	Very low	43.1	Very low	110 Å²	110	138 Å²	138	77%	0.769	70%	0.702	S	S	*	*			trans	-105.5	133.4	-171.6	49.8	0	0	0	0	113.9
167	R	44.6	Very low	42.4	Very low	246 Å²	246	136.9 Å²	136.9	93%	0.928	69%	0.694	S	S	*	*			trans	155.4	165	158.5	-89.8	154.9	-179.8	-171.4	-0.7	109.2
168	P	42.3	Very low	41.9	Very low	99 Å²	99	136.2 Å²	136.2	64%	0.643	69%	0.69	S	S	*	*			cis	-120.3	162	1.5	40	-27.6	0	0	0	114.8	R106	R106-P168 PolarHBondContact NH1-O 2.7Å
169	R	39.2	Very low	41.9	Very low	221 Å²	221	135.4 Å²	135.4	83%	0.834	69%	0.688	S	S	*	*			trans	-67.2	170.1	179.3	-86.1	-177	169.8	165.8	-3.3	114.9	R106	R106-R169 WeakPolarHBondContact CD-O 3.12Å; R106-R169 PolarHBondContact NH1-O 2.78Å
170	S	43.3	Very low	42	Very low	62 Å²	62	134.5 Å²	134.5	43%	0.434	69%	0.685	S	S	.	*			trans	-38.2	160.3	170.8	34	0	0	0	0	115.6	R106 D107	R106-S170 CarbonylContact C-O 3.52Å; R106-S170 WeakPolarHBondContact CA-O 3.48Å; R106-S170 WeakPolarHBondContact CB-O 3.4Å; D107-S170 VanDerWaalsContact OD2-CB 3.29Å; D107-S170 WeakPolarHBondContact OD2-CB 3.11Å; D107-S170 PolarHBondContact OD2-OG 3.32Å
171	R	40.8	Very low	41.5	Very low	121 Å²	121	137 Å²	137	46%	0.457	69%	0.69	S	S	.	*			cis	134.3	61.9	8	-86.2	168.7	-174.2	-179	-3.2	114.1	R106 D107 S108	R106-R171 HydrophobicContact CB-CG 4.35Å; R106-R171 VanDerWaalsContact CB-N 3.32Å; R106-R171 HydrophobicContact CG-CB 3.7Å; R106-R171 HydrophobicContact CG-CG 3.48Å; R106-R171 VanDerWaalsContact CG-CG 3.48Å; R106-R171 VanDerWaalsContact CG-N 3.34Å; D107-R171 CarbonylContact C-O 3.45Å; D107-R171 VanDerWaalsContact CA-N 3.34Å; S108-R171 WeakPolarHBondContact CB-O 3.29Å; S108-R171 PolarHBondContact N-O 3.32Å; S108-R171 PolarHBondContact OG-O 3.24Å
172	T	43	Very low	41.3	Very low	52 Å²	52	136.6 Å²	136.6	32%	0.319	69%	0.687	S	S	.	*			trans	-48.9	151.8	174.6	22.1	0	0	0	0	114.6	R104 R106 D107	R104-T172 PolarHBondContact O-OG1 2.8Å; R104-T172 VanDerWaalsContact O-OG1 3.08Å; R106-T172 PolarHBondContact N-OG1 3.4Å; D107-T172 VanDerWaalsContact C-N 3.32Å; D107-T172 VanDerWaalsContact O-CA 3.29Å; D107-T172 WeakPolarHBondContact O-CA 3.29Å; D107-T172 VanDerWaalsContact O-CG2 3.29Å; D107-T172 WeakPolarHBondContact O-CG2 3.4Å
173	P	41.8	Very low	41.2	Very low	83 Å²	83	134.3 Å²	134.3	54%	0.539	68%	0.683	S	S	.	*			cis	-150.1	-161.9	40.7	42.6	-19.6	0	0	0	119.5	S108	S108-P173 WeakPolarHBondContact CB-O 3.07Å
174	S	43.6	Very low	41.2	Very low	72 Å²	72	137.5 Å²	137.5	50%	0.503	69%	0.69	S	S	.	*			trans	102.2	97.5	135	71.7	0	0	0	0	125.5	R111	R111-S174 PolarHBondContact NE-O 3.12Å; R111-S174 VanDerWaalsContact NE-O 3.12Å; R111-S174 PolarHBondContact NH2-O 2.88Å
175	R	42.6	Very low	41	Very low	208 Å²	208	135.8 Å²	135.8	79%	0.785	68%	0.684	S	S	*	*				55.4	136.1	114.6	-71.2	-177.1	171	-175.3	-3	122.4	R111	R111-R175 PolarHBondContact NE-O 2.87Å; R111-R175 PolarHBondContact NH1-O 3.02Å; R111-R175 PolarHBondContact NH2-O 2.97Å
176	Q	41.5	Very low	41.4	Very low	151 Å²	151	135.2 Å²	135.2	71%	0.706	67%	0.674	S	S	*	*			trans	78.8	136.8	160.1	-66.5	158.6	-33.6	0	0	117.6	R111	R111-Q176 VanDerWaalsContact CZ-O 3.28Å; R111-Q176 PolarHBondContact NH1-O 2.89Å; R111-Q176 PolarHBondContact NH2-O 2.86Å
177	S	36.9	Very low	41.7	Very low	81 Å²	81	141.1 Å²	141.1	57%	0.566	68%	0.679	S	S	*	*			cis	-164.4	164.2	-7.6	55	0	0	0	0	113.1
178	S	37.1	Very low	41.9	Very low	92 Å²	92	134 Å²	134	64%	0.643	67%	0.667	S	S	*	*			trans	51.6	97	139.2	64	0	0	0	0	121.9
179	H	43.9	Very low	42.1	Very low	182 Å²	182	138.1 Å²	138.1	84%	0.843	68%	0.678	S	S	*	*			trans	-147.9	125.5	140.4	-70.1	-61.3	0	0	0	106.3
180	R	40.5	Very low	42.3	Very low	227 Å²	227	131.3 Å²	131.3	86%	0.857	67%	0.665	S	S	*	*				83.1	128	61.9	-84.8	-163.8	175.4	-168	-1	113.8
181	N	39.9	Very low	42.4	Very low	159 Å²	159	138.7 Å²	138.7	85%	0.85	68%	0.683	S	S	*	*			trans	63.1	156.2	172.3	-68.3	-1.3	0	0	0	116.4
182	S	42.5	Very low	42.4	Very low	95 Å²	95	140 Å²	140	66%	0.664	70%	0.699	S	S	*	*			cis	-156.1	158.8	-20	44.7	0	0	0	0	106.6
183	N	40.6	Very low	42.2	Very low	129 Å²	129	141.1 Å²	141.1	69%	0.69	71%	0.709	S	S	*	*				-172.6	156.2	63.2	-116.7	-24.9	0	0	0	109
184	R	41.1	Very low	42.5	Very low	202 Å²	202	144.6 Å²	144.6	76%	0.762	72%	0.717	S	S	*	*				36.8	136	104.1	-63.6	-176.3	173.2	-167.6	-2.3	115.4
185	H	42.2	Very low	42.4	Very low	155 Å²	155	149.9 Å²	149.9	72%	0.718	73%	0.731	S	S	*	*			cis	-163.5	-179.8	5.3	-110.1	-31.9	0	0	0	107.7
186	S	45.8	Very low	42.5	Very low	92 Å²	92	147.6 Å²	147.6	64%	0.643	74%	0.735	S	S	*	*			cis	-163	-173.4	7.7	-130.1	0	0	0	0	110.2
187	R	43.4	Very low	42.2	Very low	234 Å²	234	148.6 Å²	148.6	88%	0.883	75%	0.745	S	S	*	*			trans	70.7	94.6	168.4	-69.4	172.6	-179.3	157.4	1.9	116
188	S	47.7	Very low	42.3	Very low	97 Å²	97	148.2 Å²	148.2	68%	0.678	75%	0.754	S	S	*	*				87.3	106.9	77.4	63.7	0	0	0	0	111.9
189	Q	46.4	Very low	42.6	Very low	186 Å²	186	154 Å²	154	87%	0.869	76%	0.762	S	S	*	*				59.7	137.2	79.9	-71.8	-173.3	-11.1	0	0	113.3
190	S	44.8	Very low	42.5	Very low	78 Å²	78	153.8 Å²	153.8	55%	0.545	76%	0.76	S	S	.	*			cis	-175.8	144.8	-12.1	52.5	0	0	0	0	107.3
191	R	45.3	Very low	42.8	Very low	216 Å²	216	148.3 Å²	148.3	82%	0.815	76%	0.757	S	S	*	*				164.9	153.2	100.3	-93	153.7	-166	-154.4	-0.4	109.8
192	N	40.5	Very low	43.2	Very low	150 Å²	150	146.4 Å²	146.4	80%	0.802	75%	0.754	S	S	*	*			trans	58.3	157.8	144	-64.3	22.1	0	0	0	120.5
193	S	38.7	Very low	43.7	Very low	74 Å²	74	148.1 Å²	148.1	52%	0.517	76%	0.76	S	S	.	*			cis	-168.1	161.5	-35.6	-160.9	0	0	0	0	109.1
194	H	47.7	Very low	44.2	Very low	156 Å²	156	147.9 Å²	147.9	72%	0.722	77%	0.765	S	S	*	*			trans	65.3	116.2	163.1	-54.3	-42.2	0	0	0	116.5
195	K	41.4	Very low	44.3	Very low	183 Å²	183	143.3 Å²	143.3	80%	0.796	76%	0.756	S	S	*	*				56.5	110.8	91.7	-64.7	-177	176.3	-177.1	0	113.6
196	N	44.4	Very low	44	Very low	161 Å²	161	147.8 Å²	147.8	86%	0.861	77%	0.767	S	S	*	*				-164.9	133.4	115.7	-93.9	-19.6	0	0	0	110.9
197	N	35	Very low	43.9	Very low	172 Å²	172	154 Å²	154	92%	0.92	78%	0.776	S	S	*	*			trans	-123.5	142.4	169.8	-91.2	-0.6	0	0	0	108.3
198	G	39.9	Very low	43.7	Very low	73 Å²	73	148.3 Å²	148.3	75%	0.753	77%	0.772	S	S	*	*			trans	108.5	150.3	-178.7	0	0	0	0	0	112.3
199	R	42.8	Very low	43.9	Very low	214 Å²	214	150.2 Å²	150.2	81%	0.808	78%	0.779	S	S	*	*			cis	-146.7	153.1	0.4	-66.3	175.4	174.3	169.8	-4	109
200	H	42.9	Very low	43.9	Very low	176 Å²	176	145.3 Å²	145.3	82%	0.815	77%	0.766	S	S	*	*				172	162.4	112.2	-86.8	99.8	0	0	0	111.4
201	S	45.8	Very low	43.6	Very low	112 Å²	112	148.6 Å²	148.6	78%	0.783	78%	0.777	S	S	*	*			trans	-122.4	-165.2	-168.5	-41.2	0	0	0	0	109.1
202	P	48.7	Very low	43.7	Very low	120 Å²	120	148.6 Å²	148.6	78%	0.779	78%	0.779	S	S	*	*			cis	-133.7	-176.2	-9.1	38.6	-19.1	0	0	0	114.8
203	T	53	Low	43.7	Very low	131 Å²	131	147.9 Å²	147.9	80%	0.804	78%	0.775	S	S	*	*			trans	-87.7	158.6	166	51.3	0	0	0	0	112.1
204	P	50.6	Low	43.8	Very low	123 Å²	123	155.6 Å²	155.6	80%	0.799	79%	0.792	S	S	*	*				-144.8	-175.7	106.9	43.6	-30.5	0	0	0	111.6
205	D	43.6	Very low	43.4	Very low	107 Å²	107	152.1 Å²	152.1	57%	0.572	79%	0.786	S	S	*	*			cis	-137.5	161.6	-12.8	-158.7	-13.8	0	0	0	108	R207	D205-R207 IonicContact OD2-CZ 2.67Å; D205-R207 IonicContact OD2-NE 3.26Å; D205-R207 PolarHBondContact OD2-NE 2.58Å; D205-R207 IonicContact OD2-NH2 3.46Å; D205-R207 PolarHBondContact OD2-NH2 2.95Å
206	R	36.1	Very low	43.8	Very low	248 Å²	248	152.5 Å²	152.5	94%	0.936	79%	0.79	S	S	*	*			trans	-123.8	103.5	166.4	-99.2	-169.7	173.4	-168.5	-1.4	108.8
207	R	43.5	Very low	43.9	Very low	224 Å²	224	150 Å²	150	85%	0.845	79%	0.785	S	S	*	*			trans	-113.7	151.1	174.5	-65.4	-166.9	-175.8	-140.4	-4.7	112.5	D205	D205-R207 IonicContact OD2-CZ 2.67Å; D205-R207 IonicContact OD2-NE 3.26Å; D205-R207 PolarHBondContact OD2-NE 2.58Å; D205-R207 IonicContact OD2-NH2 3.46Å; D205-R207 PolarHBondContact OD2-NH2 2.95Å
208	S	39.1	Very low	44.5	Very low	113 Å²	113	150.7 Å²	150.7	79%	0.79	78%	0.782	S	S	*	*			trans	-115.8	129.1	-165.7	50.7	0	0	0	0	112.4
209	V	51.9	Low	45.2	Very low	137 Å²	137	153 Å²	153	83%	0.83	78%	0.782	S	S	*	*			trans	-154.3	126.1	158.3	-84.9	0	0	0	0	104.8
210	S	45.7	Very low	45.8	Very low	84 Å²	84	148 Å²	148	59%	0.587	78%	0.778	S	S	*	*			cis	90.1	91.3	43.1	77	0	0	0	0	113.7
211	D	40.1	Very low	45.7	Very low	146 Å²	146	146.5 Å²	146.5	78%	0.781	78%	0.775	S	S	*	*			trans	69.9	174.2	145.1	-57.1	-78.4	0	0	0	120.1
212	Y	46	Very low	46.3	Very low	217 Å²	217	147.7 Å²	147.7	85%	0.851	78%	0.777	S	S	*	*			trans	68	98.7	-171.8	-52.6	-79.9	0	0	0	113.9
213	D	41.9	Very low	46.2	Very low	135 Å²	135	148.2 Å²	148.2	72%	0.722	77%	0.77	S	S	*	*				59.1	100.7	65.1	-162.8	-12.6	0	0	0	113.2	S215	D213-S215 PolarHBondContact OD1-N 2.61Å
214	R	40.7	Very low	46	Very low	235 Å²	235	152.1 Å²	152.1	89%	0.887	77%	0.77	S	S	*	*			trans	-149	110.1	135.7	-121.4	169.5	-175.5	136.9	1.9	111.9
215	S	38.3	Very low	46	Very low	84 Å²	84	155.5 Å²	155.5	59%	0.587	77%	0.767	S	S	*	*			trans	-35.2	150.6	152.5	50.3	0	0	0	0	114.8	D213	D213-S215 PolarHBondContact OD1-N 2.61Å
216	H	50.5	Low	46.6	Very low	191 Å²	191	158.7 Å²	158.7	88%	0.884	78%	0.777	S	S	*	*			trans	-159.2	136.7	133.3	-103.6	80.3	0	0	0	109.2
217	S	46.5	Very low	47	Very low	107 Å²	107	151.5 Å²	151.5	75%	0.748	77%	0.765	S	S	*	*			trans	-126.4	135.6	-169.9	47.8	0	0	0	0	112.2
218	H	47.7	Very low	47.5	Very low	187 Å²	187	151 Å²	151	87%	0.866	77%	0.765	S	S	*	*			trans	-154.9	129.1	158.6	-135.2	62.1	0	0	0	113.4
219	T	54.9	Low	47.8	Very low	121 Å²	121	154.1 Å²	154.1	74%	0.742	77%	0.767	S	S	*	*			trans	-120.4	162.8	158.5	59.9	0	0	0	0	105.7
220	P	54.8	Low	47.7	Very low	111 Å²	111	155.3 Å²	155.3	72%	0.721	77%	0.769	S	S	*	*				-123.5	174.4	58.4	8.1	18.2	0	0	0	111.9
221	D	41.5	Very low	48.2	Very low	144 Å²	144	156.6 Å²	156.6	77%	0.77	78%	0.778	S	S	*	*			cis	78.4	96.1	34.3	-149	-28.9	0	0	0	115.5
222	V	57.8	Low	48.7	Very low	136 Å²	136	153.4 Å²	153.4	82%	0.824	78%	0.779	S	S	*	*			trans	-147.5	120.7	167.5	179.2	0	0	0	0	109.3
223	E	45.8	Very low	48.9	Very low	132 Å²	132	148.6 Å²	148.6	62%	0.617	78%	0.778	S	S	*	*			trans	-65.7	143.1	167.9	-74	-172.8	96.7	0	0	111.9	R225	E223-R225 IonicContact OE1-CZ 3.05Å; E223-R225 VanDerWaalsContact OE1-CZ 3.26Å; E223-R225 IonicContact OE1-NE 2.75Å; E223-R225 PolarHBondContact OE1-NE 3.34Å; E223-R225 IonicContact OE1-NH2 3.26Å; E223-R225 PolarHBondContact OE1-NH2 3.2Å
224	R	49.5	Very low	49.6	Very low	212 Å²	212	148 Å²	148	80%	0.8	78%	0.781	S	S	*	*			trans	-145.2	98.7	142.1	-160.3	167.2	-117.6	-114.9	0.4	113.1	H226	R224-H226 PolarHBondContact NH1-NE2 3.19Å
225	R	49.6	Very low	50.4	Low	195 Å²	195	142.8 Å²	142.8	74%	0.736	78%	0.775	S	S	*	*			trans	-66.5	144	163.4	-53.5	168.6	-171.3	-131.3	-3.1	109.3	E223	E223-R225 IonicContact OE1-CZ 3.05Å; E223-R225 VanDerWaalsContact OE1-CZ 3.26Å; E223-R225 IonicContact OE1-NE 2.75Å; E223-R225 PolarHBondContact OE1-NE 3.34Å; E223-R225 IonicContact OE1-NH2 3.26Å; E223-R225 PolarHBondContact OE1-NH2 3.2Å
226	H	56.4	Low	51.2	Low	173 Å²	173	146.1 Å²	146.1	80%	0.801	79%	0.786	S	S	*	*			trans	-149.8	127.6	149.9	-95.1	-63.5	0	0	0	109.4	R224	R224-H226 PolarHBondContact NH1-NE2 3.19Å
227	S	44.7	Very low	51.4	Low	97 Å²	97	142.8 Å²	142.8	68%	0.678	78%	0.775	S	S	*	*			trans	-130.4	117.1	-173.8	51.8	0	0	0	0	109.5
228	Y	53.6	Low	51.6	Low	215 Å²	215	140.7 Å²	140.7	84%	0.843	77%	0.77	S	S	*	*			trans	-147.2	126.5	153.9	-73.2	-74	0	0	0	105.1
229	E	45.8	Very low	52	Low	178 Å²	178	143 Å²	143	83%	0.832	77%	0.771	S	S	*	*				61.3	81.1	55.7	-59.2	-75.2	108.8	0	0	111.2
230	D	50.8	Low	52	Low	161 Å²	161	144.7 Å²	144.7	86%	0.861	78%	0.775	S	S	*	*			trans	-145.4	160.9	149.5	-159.5	6.3	0	0	0	110.4
231	S	55.6	Low	51.9	Low	111 Å²	111	143.1 Å²	143.1	78%	0.776	77%	0.772	S	S	*	*			trans	-112.1	157.6	-159.2	61	0	0	0	0	112.6
232	G	49.5	Very low	52.6	Low	79 Å²	79	141.6 Å²	141.6	81%	0.814	77%	0.773	S	S	*	*			trans	166.5	43.1	179.9	0	0	0	0	0	119.4
233	S	51.2	Low	52.5	Low	117 Å²	117	141.3 Å²	141.3	82%	0.818	77%	0.773	S	S	*	*			trans	-81.4	155.5	153.6	-69.4	0	0	0	0	108.5
234	P	57.3	Low	52.8	Low	123 Å²	123	138.3 Å²	138.3	80%	0.799	78%	0.778	S	S	*	*			cis	-150.3	-156.8	38.7	45.5	-23.6	0	0	0	116.8
235	V	56.9	Low	52.9	Low	124 Å²	124	135.4 Å²	135.4	75%	0.752	78%	0.778	S	S	*	*			trans	-50.6	153.5	-175.5	-59.3	0	0	0	0	119.6
236	D	55.7	Low	53.3	Low	155 Å²	155	133.3 Å²	133.3	83%	0.829	78%	0.781	S	S	*	*			trans	-154.7	120.7	140.5	-171.1	-93.9	0	0	0	106.7
237	D	54.7	Low	52.8	Low	120 Å²	120	128.4 Å²	128.4	64%	0.642	78%	0.777	S	S	*	*				93.2	24.1	55	-93.5	-63.5	0	0	0	118.9
238	G	49.4	Very low	53	Low	63 Å²	63	128.2 Å²	128.2	65%	0.649	78%	0.781	S	S	*	*				78.3	-153.7	128.9	0	0	0	0	0	118.3
239	R	57	Low	52.8	Low	237 Å²	237	128.5 Å²	128.5	89%	0.894	78%	0.781	S	S	*	*			trans	69.7	141.9	-171.2	-41.7	169.7	-152	-155	3.1	112.6
240	N	53.8	Low	52.9	Low	155 Å²	155	127.3 Å²	127.3	83%	0.829	78%	0.78	S	S	*	*			cis	-150.7	171.8	-3.6	-147.3	-11	0	0	0	112.7
241	A	54.2	Low	53.2	Low	79 Å²	79	126 Å²	126	65%	0.653	77%	0.769	S	S	*	*			trans	-62.5	171.7	166.5	0	0	0	0	0	112.3
242	S	56.1	Low	53.1	Low	111 Å²	111	128.7 Å²	128.7	78%	0.776	77%	0.774	S	S	*	*			cis	-162.8	172.2	7.4	-133	0	0	0	0	109.8
243	P	55.1	Low	53.2	Low	130 Å²	130	129.4 Å²	129.4	84%	0.844	77%	0.767	S	S	*	*			trans	-87.7	136.8	-179	33.5	-32.9	0	0	0	115
244	G	52.8	Low	52.9	Low	69 Å²	69	135.1 Å²	135.1	71%	0.711	77%	0.771	S	S	*	*			trans	-155.2	134.2	161.2	0	0	0	0	0	107.9
245	D	51	Low	52.6	Low	151 Å²	151	133.9 Å²	133.9	81%	0.807	77%	0.765	S	S	*	*				91.1	155.7	61.3	-167.6	34	0	0	0	112.8
246	L	57.5	Low	52.6	Low	152 Å²	152	134 Å²	134	80%	0.796	77%	0.766	S	S	*	*			trans	79.3	144.2	175.6	-47.8	178.8	0	0	0	118.5
247	G	45.8	Very low	52.4	Low	70 Å²	70	131.3 Å²	131.3	72%	0.722	76%	0.759	S	S	*	*			trans	70.8	87.1	165.1	0	0	0	0	0	116.3
248	A	49.4	Very low	52.1	Low	92 Å²	92	136.9 Å²	136.9	76%	0.76	77%	0.771	S	S	*	*			cis	58.8	121.2	36.4	0	0	0	0	0	115.2
249	R	49.2	Very low	52.2	Low	221 Å²	221	138.8 Å²	138.8	83%	0.834	77%	0.774	S	S	*	*			trans	82.6	110.9	167.6	-50.3	175.2	179.9	-177.6	0.3	118.6
250	N	48.3	Very low	51.9	Low	153 Å²	153	139 Å²	139	82%	0.818	78%	0.775	S	S	*	*			trans	-145.7	89.7	149.3	-165.6	9.4	0	0	0	106.4
251	H	56.9	Low	51.9	Low	133 Å²	133	136.2 Å²	136.2	62%	0.616	77%	0.768	S	S	*	*				55.2	90.3	82.6	-58.5	-67.6	0	0	0	112.8
252	N	52.6	Low	51.6	Low	168 Å²	168	143.8 Å²	143.8	90%	0.898	78%	0.78	S	S	*	*			trans	-125	89.4	155.4	-169.3	9.6	0	0	0	108.4
253	S	52.3	Low	51.6	Low	94 Å²	94	143.8 Å²	143.8	66%	0.657	78%	0.78	S	S	*	*			trans	-78.7	154.8	-176.3	-63.4	0	0	0	0	111.6
254	R	44.6	Very low	51.3	Low	237 Å²	237	149.1 Å²	149.1	89%	0.894	78%	0.783	S	S	*	*			trans	-48.8	149.6	161.5	-61.8	163.4	164.8	169.2	-8.7	109
255	S	51.9	Low	51.5	Low	97 Å²	97	153.7 Å²	153.7	68%	0.678	79%	0.786	S	S	*	*				173.1	170.4	70.2	48.3	0	0	0	0	112.1
256	V	56.6	Low	51.6	Low	127 Å²	127	151.4 Å²	151.4	77%	0.77	78%	0.782	S	S	*	*			trans	32.9	142.2	148.1	-61.6	0	0	0	0	121.3
257	S	51	Low	51.5	Low	98 Å²	98	152 Å²	152	69%	0.685	79%	0.786	S	S	*	*			cis	-174.3	-177.6	-5.6	-102	0	0	0	0	109.3
258	R	49.7	Very low	52	Low	238 Å²	238	157.1 Å²	157.1	90%	0.898	79%	0.791	S	S	*	*			trans	79	137.4	166.5	-49.5	176	179.1	-175.9	-1.6	114.6
259	S	51.6	Low	51.8	Low	103 Å²	103	164 Å²	164	72%	0.72	80%	0.797	S	S	*	*			cis	153.2	151.9	-26	-87.4	0	0	0	0	107.3
260	R	50.1	Low	52	Low	240 Å²	240	162.6 Å²	162.6	91%	0.906	80%	0.797	S	S	*	*			trans	76.3	146.1	175.2	-53.5	175.3	177.3	-165.2	-2.4	114.5
261	S	53.3	Low	52.2	Low	98 Å²	98	165.9 Å²	165.9	69%	0.685	80%	0.798	S	S	*	*			cis	-162.2	144.5	-13.5	-105.7	0	0	0	0	114.1
262	R	49	Very low	52	Low	237 Å²	237	164.7 Å²	164.7	89%	0.894	81%	0.805	S	S	*	*			trans	35	108	140.9	-58.3	177.7	174.7	-175.8	-2.4	122
263	S	54.9	Low	52.1	Low	112 Å²	112	168.5 Å²	168.5	78%	0.783	81%	0.807	S	S	*	*				-174.8	135.5	123.4	52.6	0	0	0	0	107.9
264	R	49.5	Very low	52.1	Low	241 Å²	241	169.9 Å²	169.9	91%	0.909	82%	0.816	S	S	*	*			cis	72.4	69.2	27.7	-77.9	-161.1	175.4	-167.1	0.1	116.6
265	Q	56.8	Low	52.9	Low	166 Å²	166	163.6 Å²	163.6	78%	0.776	81%	0.806	S	S	*	*			trans	-154.8	125.5	135.8	-86	122.6	6.3	0	0	106
266	S	52.7	Low	52.9	Low	103 Å²	103	163.5 Å²	163.5	72%	0.72	81%	0.806	S	S	*	*			cis	58.9	92.4	37.9	81.1	0	0	0	0	113.9
267	N	55.5	Low	53	Low	164 Å²	164	163.1 Å²	163.1	88%	0.877	80%	0.799	S	S	*	*			trans	-135.7	134.9	161.9	-97.5	-33.9	0	0	0	110.1
268	H	56.5	Low	53.2	Low	178 Å²	178	169.3 Å²	169.3	82%	0.824	81%	0.809	S	S	*	*			trans	-97.1	166.1	-169.7	-99.2	-124.5	0	0	0	113.1
269	R	44.2	Very low	53.7	Low	236 Å²	236	166.1 Å²	166.1	89%	0.891	80%	0.804	S	S	*	*			trans	-68.4	126.4	168.8	-66.9	167.1	165	173.4	-7	111.5
270	F	54.5	Low	53.7	Low	191 Å²	191	168.2 Å²	168.2	84%	0.838	81%	0.807	S	S	*	*			trans	-129.2	126.4	141.1	-82.6	-96.1	0	0	0	106.5
271	R	52.3	Low	54.2	Low	222 Å²	222	165.1 Å²	165.1	84%	0.838	80%	0.803	S	S	*	*				67.9	75.2	60.3	-74.5	-163.6	170.2	-144.5	0.5	113.9
272	S	52.7	Low	54.3	Low	109 Å²	109	163.7 Å²	163.7	76%	0.762	80%	0.804	S	S	*	*				37.1	115.7	125.4	59.9	0	0	0	0	119.3
273	R	55.1	Low	54.9	Low	248 Å²	248	157.4 Å²	157.4	94%	0.936	80%	0.802	S	S	*	*			trans	-160.8	145.5	143.7	-110.5	167.2	-175.5	-130.9	-1.5	110.4
274	S	52.6	Low	54.9	Low	123 Å²	123	161.5 Å²	161.5	86%	0.86	81%	0.809	S	S	*	*			trans	-140.3	121.6	168.9	-55	0	0	0	0	108.5
275	P	61	Low	55.5	Low	104 Å²	104	159.7 Å²	159.7	68%	0.675	80%	0.802	S	S	*	*			trans	-104.9	149.7	139.7	1.2	20.7	0	0	0	107.7
276	S	52.4	Low	55.7	Low	96 Å²	96	159.9 Å²	159.9	67%	0.671	80%	0.803	S	S	*	*			cis	71.1	151.1	45.8	81.3	0	0	0	0	114.5
277	D	57	Low	56.3	Low	118 Å²	118	163.2 Å²	163.2	63%	0.631	81%	0.807	S	S	*	*			trans	79.4	163.4	171.7	-49	-73	0	0	0	117.1
278	Y	56.4	Low	56.4	Low	228 Å²	228	159.8 Å²	159.8	89%	0.894	80%	0.796	S	S	*	*			trans	67.5	80.4	-157.8	-55.3	-76.7	0	0	0	112.6
279	H	59.8	Low	56.7	Low	172 Å²	172	157.6 Å²	157.6	80%	0.796	80%	0.8	S	S	*	*				61.9	108.6	62	-81.4	-84.6	0	0	0	115.1
280	D	52.7	Low	57.5	Low	147 Å²	147	150.3 Å²	150.3	79%	0.786	80%	0.799	S	S	*	*			trans	-68.5	152.5	156	-180	42.3	0	0	0	110.7
281	E	60.3	Low	57.8	Low	175 Å²	175	146.9 Å²	146.9	82%	0.818	80%	0.799	S	S	*	*			trans	167.6	129.3	158.4	-98.6	-71.6	130.4	0	0	111.5
282	G	55.5	Low	58.8	Low	68 Å²	68	145 Å²	145	70%	0.701	80%	0.799	S	S	*	*			trans	46.9	114	146.3	0	0	0	0	0	123.4
283	A	60.5	Low	59.5	Low	104 Å²	104	146.1 Å²	146.1	86%	0.86	80%	0.802	S	S	*	*			trans	-165	101	132.9	0	0	0	0	0	113.1
284	Q	56.2	Low	60.2	Low	199 Å²	199	137.9 Å²	137.9	93%	0.93	79%	0.794	S	S	*	*			trans	-82.8	139.9	159.5	-68.6	174.2	-22.4	0	0	109.5
285	R	61.8	Low	61.1	Low	202 Å²	202	138.8 Å²	138.8	76%	0.762	79%	0.789	S	S	*	*			trans	-145.1	104.2	164.6	-87.7	-166	171.4	-107.3	4.5	112.5	H287	R285-H287 PolarHBondContact NH1-NE2 3.05Å
286	E	60.2	Low	61.4	Low	171 Å²	171	142.4 Å²	142.4	80%	0.799	80%	0.797	S	S	*	*			trans	-61.9	132	159.9	-65.9	-71.1	114.8	0	0	110.6
287	H	64.7	Low	61.9	Low	173 Å²	173	143.6 Å²	143.6	80%	0.801	81%	0.805	S	S	*	*			trans	-156.7	90.6	159	-74.7	-58.5	0	0	0	107.4	R285	R285-H287 PolarHBondContact NH1-NE2 3.05Å
288	S	58.6	Low	62.6	Low	92 Å²	92	145.3 Å²	145.3	64%	0.643	85%	0.85	S	S	*	*				81.1	119	74.7	-66.6	0	0	0	0	114.8
289	S	62.5	Low	62.9	Low	131 Å²	131	141.2 Å²	141.2	92%	0.916	85%	0.848	S	S	*	*			trans	63.9	135.7	158.9	63.1	0	0	0	0	120
290	G	60.4	Low	63	Low	84 Å²	84	139.5 Å²	139.5	87%	0.866	85%	0.851	S	S	*	*			trans	172.5	48.5	178.7	0	0	0	0	0	114.4
291	S	62.2	Low	63.6	Low	118 Å²	118	139.1 Å²	139.1	83%	0.825	86%	0.855	S	S	*	*			trans	-85.2	132.3	-174.3	53.3	0	0	0	0	113.8
292	H	72.2	Confident	63.8	Low	182 Å²	182	137 Å²	137	84%	0.843	86%	0.857	S	S	*	*			trans	-149	126.9	150.1	-157	64.7	0	0	0	112.1
293	T	68.2	Low	64.3	Low	134 Å²	134	141.3 Å²	141.3	82%	0.822	87%	0.867	S	S	*	*			trans	-118.7	134.3	174.8	47.3	0	0	0	0	108.2
294	G	68.3	Low	64.6	Low	75 Å²	75	143.8 Å²	143.8	77%	0.773	87%	0.867	S	S	*	*			trans	-165.6	54.2	-173.6	0	0	0	0	0	113.4
295	D	72.7	Confident	65.2	Low	142 Å²	142	139.9 Å²	139.9	76%	0.759	86%	0.862	S	S	*	*			trans	-86.3	125.9	160.1	173.7	60.9	0	0	0	108.6
296	Q	66.8	Low	65.4	Low	180 Å²	180	135.1 Å²	135.1	84%	0.841	87%	0.87	S	S	*	*			trans	-178.2	138.5	131.9	-102	170.4	12.3	0	0	113.4
297	S	64	Low	65.9	Low	121 Å²	121	132.1 Å²	132.1	85%	0.846	88%	0.876	S	S	*	*			trans	-41.6	149	173.1	-43.3	0	0	0	0	117.4
298	G	70	Confident	66	Low	153 Å²	153	128.4 Å²	128.4	100%	1.577	88%	0.883	S	S	*	*			trans	-144.5	0	157.8	0	0	0	0	0	109.8

Retrieved 298 of 298 residues in 54.6 ms (Link to these results)

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