A0A077ZCH5_TRITR Loading...

Putative heat shock protein

AlphaFold DB , UniProt , Accession A0A077ZCH5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 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	59.2	Low	87.6	Confident	246 Å²	246	111.5 Å²	111.5	100%	1.212	56%	0.557	S	S	*	*				0	146.4	0	-69.3	170.8	173.8	0	0	107.3
2	T	72.8	Confident	88.1	Confident	140 Å²	140	114.4 Å²	114.4	86%	0.859	56%	0.564	S	S	*	*			trans	-92.3	108.9	-179.2	-33.3	0	0	0	0	109
3	T	76.8	Confident	88.4	Confident	82 Å²	82	107.2 Å²	107.2	50%	0.503	53%	0.532	S	S	.	.			trans	-56.4	137.5	171.9	-67.1	0	0	0	0	110.1	V121 D122	T3-V121 HydrophobicContact CG2-CG1 3.48Å; T3-V121 VanDerWaalsContact CG2-CG1 3.48Å; T3-D122 WeakPolarHBondContact CA-OD1 3.27Å
4	R	85.3	Confident	88.5	Confident	205 Å²	205	111.3 Å²	111.3	77%	0.774	56%	0.556	S	S	*	*			trans	-94.6	127.6	174.2	-71	-173.9	175.6	-170.1	-1.8	109.8	V121 D122	R4-V121 WeakPolarHBondContact O-CA 3.49Å; R4-D122 PolarHBondContact N-OD1 2.81Å; R4-D122 PolarHBondContact O-N 2.81Å
5	E	92.1	Very high	88.4	Confident	113 Å²	113	109.1 Å²	109.1	53%	0.528	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	119.7	177.5	173.5	161.6	152.1	0	0	110	K119 T120	E5-K119 HydrophobicContact CG-CD 3.82Å; E5-K119 WeakPolarHBondContact OE1-CD 3.38Å; E5-K119 IonicContact OE1-NZ 3.57Å; E5-K119 PolarHBondContact OE1-NZ 3.31Å; E5-K119 IonicContact OE2-NZ 3.58Å; E5-K119 PolarHBondContact OE2-NZ 3.17Å; E5-T120 WeakPolarHBondContact CA-O 3.44Å
6	T	94.5	Very high	88.4	Confident	35 Å²	35	107.6 Å²	107.6	22%	0.215	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.3	171.6	-59.4	0	0	0	0	108.5	I8 K119 T120 P156 E157	T6-I8 HydrophobicContact CG2-CD1 4.16Å; T6-K119 CarbonylContact O-C 3.51Å; T6-K119 VanDerWaalsContact O-CA 3.22Å; T6-K119 WeakPolarHBondContact O-CA 3.36Å; T6-K119 WeakPolarHBondContact O-CB 3.42Å; T6-T120 WeakPolarHBondContact CB-OG1 3.48Å; T6-T120 PolarHBondContact N-O 2.91Å; T6-T120 PolarHBondContact N-OG1 3.32Å; T6-T120 PolarHBondContact O-N 2.91Å; T6-T120 PolarHBondContact O-OG1 2.9Å; T6-P156 HydrophobicContact CG2-CB 4.46Å; T6-E157 VanDerWaalsContact CG2-OE1 3.25Å; T6-E157 WeakPolarHBondContact CG2-OE1 3.16Å; T6-E157 PolarHBondContact OG1-OE1 3.06Å; T6-E157 VanDerWaalsContact OG1-OE1 3.11Å
7	K	95.8	Very high	88.2	Confident	147 Å²	147	101.7 Å²	101.7	64%	0.639	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.9	173	-175.2	-176.3	178.8	-176	0	109.8
8	I	96.4	Very high	87.7	Confident	3 Å²	3	101.3 Å²	101.3	2%	0.015	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	128.9	178.4	-51.6	-50.8	0	0	0	109.2	T6 V118 T120 I159	T6-I8 HydrophobicContact CG2-CD1 4.16Å; I8-V118 HydrophobicContact CB-CB 4.08Å; I8-V118 HydrophobicContact CB-CG1 3.84Å; I8-V118 HydrophobicContact CG1-CG1 4.08Å; I8-V118 HydrophobicContact CG2-CG1 4.37Å; I8-V118 PolarHBondContact N-O 3.3Å; I8-T120 HydrophobicContact CD1-CG2 4.46Å; I8-I159 HydrophobicContact CD1-CB 3.9Å; I8-I159 HydrophobicContact CD1-CG2 4.26Å; I8-I159 HydrophobicContact CG1-CB 4.34Å; I8-I159 HydrophobicContact CG1-CG2 4.13Å; I8-I159 HydrophobicContact CG2-CG2 4.18Å
9	P	96.3	Very high	87.4	Confident	92 Å²	92	100.8 Å²	100.8	60%	0.597	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-73.1	137.3	176	29.4	-33.4	0	0	0	111.3	S161	P9-S161 PolarHBondContact O-OG 2.74Å
10	I	97.4	Very high	87.2	Confident	46 Å²	46	102.8 Å²	102.8	24%	0.236	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.8	174.6	-51.9	174.1	0	0	0	108.7	V116 V118 S161 L163 L169	I10-V116 HydrophobicContact CD1-CB 4.04Å; I10-V116 HydrophobicContact CD1-CG1 3.79Å; I10-V118 HydrophobicContact CD1-CG2 4Å; I10-V118 HydrophobicContact CG1-CG2 4Å; I10-S161 WeakPolarHBondContact CA-OG 3.22Å; I10-L163 HydrophobicContact CG2-CB 3.66Å; I10-L169 HydrophobicContact CD1-CD1 4.45Å; I10-L169 HydrophobicContact CG1-CD1 4.38Å; I10-L169 HydrophobicContact CG2-CD1 4.02Å
11	Q	96.6	Very high	86.9	Confident	117 Å²	117	99 Å²	99	55%	0.547	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	129	171.6	-61.8	178.9	0.4	0	0	109.4	S161 T162 L163	Q11-S161 PolarHBondContact N-O 2.67Å; Q11-T162 HydrophobicContact CB-CG2 4.18Å; Q11-T162 CarbonylContact O-C 3.6Å; Q11-T162 VanDerWaalsContact O-CA 3.26Å; Q11-T162 WeakPolarHBondContact O-CA 3.45Å; Q11-L163 PolarHBondContact O-N 2.83Å
12	K	94.4	Very high	87.9	Confident	147 Å²	147	93.8 Å²	93.8	64%	0.639	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	149.7	170.6	-62.9	-171.1	-177.2	-169.9	0	109.7	P113	K12-P113 HydrophobicContact CD-CB 4.49Å
13	S	91.4	Very high	88.4	Confident	21 Å²	21	91.4 Å²	91.4	15%	0.147	44%	0.44	C	S	.	.			trans	-148.3	139.8	-178.5	59.4	0	0	0	0	112.3	Y15 L163 V165	S13-Y15 VanDerWaalsContact C-N 3.27Å; S13-Y15 VanDerWaalsContact CB-CE1 3.48Å; S13-Y15 PolarHBondContact O-N 2.89Å; S13-Y15 WeakPolarHBondContact OG-CE1 3.32Å; S13-L163 PolarHBondContact N-O 3.34Å; S13-L163 PolarHBondContact OG-O 3.38Å; S13-V165 WeakPolarHBondContact O-CG2 3.32Å
14	D	90.1	Very high	88.6	Confident	164 Å²	164	88.9 Å²	88.9	88%	0.877	43%	0.426	S	S	*	.	S	Bend	trans	-88.8	20.9	-168.3	-51.2	-54.6	0	0	0	114	V165	D14-V165 VanDerWaalsContact C-CG2 3.46Å
15	Y	86.8	Confident	88.5	Confident	78 Å²	78	84.9 Å²	84.9	31%	0.306	42%	0.418	S	S	.	.	S	Bend	trans	-110.6	157.8	178	72.6	-88	0	0	0	111.9	S13 V17 S164 V165	S13-Y15 VanDerWaalsContact C-N 3.27Å; S13-Y15 VanDerWaalsContact CB-CE1 3.48Å; S13-Y15 PolarHBondContact O-N 2.89Å; S13-Y15 WeakPolarHBondContact OG-CE1 3.32Å; Y15-V17 HydrophobicContact CD2-CG2 4.46Å; Y15-V17 HydrophobicContact CE2-CG2 3.71Å; Y15-S164 VanDerWaalsContact O-CB 3.25Å; Y15-S164 WeakPolarHBondContact O-CB 3.31Å; Y15-V165 PolarHBondContact O-N 3.48Å
16	H	88.6	Confident	88.2	Confident	85 Å²	85	86 Å²	86	39%	0.394	42%	0.417	S	S	.	.			trans	-92.6	132.7	168.7	-66.7	-82.2	0	0	0	109.8	D19	H16-D19 HydrophobicContact CB-CB 4.37Å; H16-D19 WeakPolarHBondContact CB-OD2 3.38Å; H16-D19 IonicContact CD2-OD2 3.06Å; H16-D19 IonicContact CG-OD2 2.87Å
17	V	85	Confident	87.8	Confident	8 Å²	8	90.9 Å²	90.9	5%	0.048	44%	0.437	C	S	.	.	H	α-helix	trans	-72.5	-37.4	177.9	161.4	0	0	0	0	111.2	Y15 E21 S164 D166 I168	Y15-V17 HydrophobicContact CD2-CG2 4.46Å; Y15-V17 HydrophobicContact CE2-CG2 3.71Å; V17-E21 HydrophobicContact CG1-CG 4.31Å; V17-E21 WeakPolarHBondContact O-CG 3.47Å; V17-E21 PolarHBondContact O-N 2.86Å; V17-S164 WeakPolarHBondContact CG2-OG 3.14Å; V17-D166 VanDerWaalsContact N-CG 3.34Å; V17-D166 PolarHBondContact N-OD1 2.74Å; V17-D166 VanDerWaalsContact N-OD1 3.12Å; V17-D166 PolarHBondContact N-OD2 3.39Å; V17-I168 HydrophobicContact CB-CB 4.05Å; V17-I168 HydrophobicContact CB-CG1 4.19Å; V17-I168 HydrophobicContact CB-CG2 4.36Å; V17-I168 HydrophobicContact CG1-CB 4.27Å; V17-I168 HydrophobicContact CG1-CG1 4.4Å; V17-I168 HydrophobicContact CG1-CG2 4.06Å; V17-I168 HydrophobicContact CG2-CB 4.1Å; V17-I168 HydrophobicContact CG2-CG2 4.38Å
18	V	79.6	Confident	87.2	Confident	94 Å²	94	93 Å²	93	57%	0.57	44%	0.441	S	S	*	.	H	α-helix	trans	-62.1	-50.1	-177.1	177.2	0	0	0	0	111.5	R20 E21 F22 D166	V18-R20 PolarHBondContact O-N 2.75Å; V18-E21 PolarHBondContact O-N 3.05Å; V18-F22 PolarHBondContact O-N 3.36Å; V18-D166 PolarHBondContact N-OD2 3.17Å
19	D	82.2	Confident	86.7	Confident	93 Å²	93	98.6 Å²	98.6	50%	0.497	47%	0.466	S	S	.	.	H	α-helix	trans	-58	-52	-176.8	-57.8	-15.6	0	0	0	111.5	H16 E21 F22 D23	H16-D19 HydrophobicContact CB-CB 4.37Å; H16-D19 WeakPolarHBondContact CB-OD2 3.38Å; H16-D19 IonicContact CD2-OD2 3.06Å; H16-D19 IonicContact CG-OD2 2.87Å; D19-E21 VanDerWaalsContact C-N 3.26Å; D19-E21 PolarHBondContact O-N 3.18Å; D19-F22 PolarHBondContact O-N 3.05Å; D19-F22 VanDerWaalsContact O-N 3.17Å; D19-D23 PolarHBondContact O-N 3.5Å
20	R	82	Confident	86.3	Confident	140 Å²	140	98.9 Å²	98.9	53%	0.528	46%	0.459	S	S	.	.	H	α-helix	trans	-58.4	-37.8	179.3	-179	-179.3	-179.8	-179	4.5	112.5	V18 S24	V18-R20 PolarHBondContact O-N 2.75Å; R20-S24 WeakPolarHBondContact O-CB 3.47Å; R20-S24 PolarHBondContact O-N 2.81Å; R20-S24 PolarHBondContact O-OG 2.72Å
21	E	81.2	Confident	86	Confident	24 Å²	24	99.6 Å²	99.6	11%	0.112	47%	0.472	C	S	.	.	H	α-helix	trans	-75.7	-38.3	-179.5	-64.3	-78.5	133.4	0	0	110.8	V17 V18 D19 S24 M25 R94 R105	V17-E21 HydrophobicContact CG1-CG 4.31Å; V17-E21 WeakPolarHBondContact O-CG 3.47Å; V17-E21 PolarHBondContact O-N 2.86Å; V18-E21 PolarHBondContact O-N 3.05Å; D19-E21 VanDerWaalsContact C-N 3.26Å; D19-E21 PolarHBondContact O-N 3.18Å; E21-S24 WeakPolarHBondContact CA-OG 3.18Å; E21-S24 PolarHBondContact O-N 2.87Å; E21-S24 PolarHBondContact O-OG 3.49Å; E21-M25 WeakPolarHBondContact O-CB 3.4Å; E21-M25 VanDerWaalsContact O-CG 3.29Å; E21-M25 WeakPolarHBondContact O-CG 3.05Å; E21-M25 PolarHBondContact O-N 2.8Å; E21-R94 VanDerWaalsContact CD-NH2 3.25Å; E21-R94 IonicContact OE1-CZ 2.64Å; E21-R94 IonicContact OE1-NH1 3.17Å; E21-R94 PolarHBondContact OE1-NH1 2.94Å; E21-R94 IonicContact OE1-NH2 2.7Å; E21-R94 PolarHBondContact OE1-NH2 3Å; E21-R94 IonicContact OE2-CZ 3Å; E21-R94 IonicContact OE2-NH2 2.79Å; E21-R94 PolarHBondContact OE2-NH2 2.64Å; E21-R105 IonicContact OE1-CZ 3.03Å; E21-R105 IonicContact OE1-NH1 3.98Å; E21-R105 PolarHBondContact OE1-NH1 3.06Å; E21-R105 IonicContact OE1-NH2 2.65Å; E21-R105 PolarHBondContact OE1-NH2 3.25Å; E21-R105 IonicContact OE2-CZ 3.85Å; E21-R105 IonicContact OE2-NH1 3.64Å; E21-R105 PolarHBondContact OE2-NH1 3.48Å; E21-R105 IonicContact OE2-NH2 3.02Å
22	F	80.9	Confident	85.4	Confident	136 Å²	136	98.3 Å²	98.3	60%	0.596	47%	0.466	S	S	*	.	H	α-helix	trans	-59.6	-48	172.1	-176	-97	0	0	0	111.9	V18 D19 S24 M25 R26	V18-F22 PolarHBondContact O-N 3.36Å; D19-F22 PolarHBondContact O-N 3.05Å; D19-F22 VanDerWaalsContact O-N 3.17Å; F22-S24 PolarHBondContact O-N 3.33Å; F22-M25 PolarHBondContact O-N 2.94Å; F22-R26 VanDerWaalsContact O-CB 3.29Å; F22-R26 WeakPolarHBondContact O-CB 3.43Å; F22-R26 PolarHBondContact O-N 3.31Å
23	D	82.7	Confident	84.9	Confident	89 Å²	89	94.6 Å²	94.6	48%	0.476	45%	0.452	S	S	.	.	H	α-helix	trans	-58.4	-46.9	174.2	-73.4	-27.3	0	0	0	111.1	D19 M25 R26 E27	D19-D23 PolarHBondContact O-N 3.5Å; D23-M25 VanDerWaalsContact C-N 3.34Å; D23-M25 PolarHBondContact O-N 3.29Å; D23-R26 WeakPolarHBondContact O-CB 3.34Å; D23-R26 PolarHBondContact O-N 2.8Å; D23-R26 VanDerWaalsContact O-N 3.17Å; D23-E27 WeakPolarHBondContact O-CG 3.24Å; D23-E27 PolarHBondContact O-N 2.78Å
24	S	81.8	Confident	85	Confident	29 Å²	29	101.5 Å²	101.5	20%	0.203	48%	0.475	C	S	.	.	H	α-helix	trans	-67.2	-30.5	179.8	77.7	0	0	0	0	114	R20 E21 F22 R28	R20-S24 WeakPolarHBondContact O-CB 3.47Å; R20-S24 PolarHBondContact O-N 2.81Å; R20-S24 PolarHBondContact O-OG 2.72Å; E21-S24 WeakPolarHBondContact CA-OG 3.18Å; E21-S24 PolarHBondContact O-N 2.87Å; E21-S24 PolarHBondContact O-OG 3.49Å; F22-S24 PolarHBondContact O-N 3.33Å; S24-R28 WeakPolarHBondContact O-CB 3.26Å; S24-R28 VanDerWaalsContact O-CD 3.3Å; S24-R28 WeakPolarHBondContact O-CD 3.5Å; S24-R28 WeakPolarHBondContact O-CG 3.33Å; S24-R28 PolarHBondContact O-N 3.32Å
25	M	83.2	Confident	84.8	Confident	122 Å²	122	100.5 Å²	100.5	60%	0.601	46%	0.458	S	S	*	.	H	α-helix	trans	-72.1	-40	172.5	-74.1	-179.3	-170.3	0	0	110.6	E21 F22 D23 R28 F29	E21-M25 WeakPolarHBondContact O-CB 3.4Å; E21-M25 VanDerWaalsContact O-CG 3.29Å; E21-M25 WeakPolarHBondContact O-CG 3.05Å; E21-M25 PolarHBondContact O-N 2.8Å; F22-M25 PolarHBondContact O-N 2.94Å; D23-M25 VanDerWaalsContact C-N 3.34Å; D23-M25 PolarHBondContact O-N 3.29Å; M25-R28 PolarHBondContact O-N 3.38Å; M25-F29 WeakPolarHBondContact O-CB 3.35Å; M25-F29 PolarHBondContact O-N 3.5Å
26	R	85.3	Confident	84.6	Confident	137 Å²	137	99 Å²	99	52%	0.517	46%	0.457	S	S	.	.	H	α-helix	trans	-64	-48.5	176.3	-179.2	-179.6	174.7	-175.4	-4.9	111.8	F22 D23 R28 F29 E30	F22-R26 VanDerWaalsContact O-CB 3.29Å; F22-R26 WeakPolarHBondContact O-CB 3.43Å; F22-R26 PolarHBondContact O-N 3.31Å; D23-R26 WeakPolarHBondContact O-CB 3.34Å; D23-R26 PolarHBondContact O-N 2.8Å; D23-R26 VanDerWaalsContact O-N 3.17Å; R26-R28 VanDerWaalsContact C-N 3.31Å; R26-R28 PolarHBondContact O-N 3.44Å; R26-F29 PolarHBondContact O-N 3.26Å; R26-E30 HydrophobicContact CG-CG 4.37Å; R26-E30 IonicContact CZ-OE1 3.87Å; R26-E30 VanDerWaalsContact CZ-OE1 3.27Å; R26-E30 IonicContact NE-OE1 2.74Å; R26-E30 PolarHBondContact NE-OE1 3.43Å; R26-E30 IonicContact NH2-OE1 3.44Å; R26-E30 PolarHBondContact NH2-OE1 2.94Å; R26-E30 WeakPolarHBondContact O-CB 3.39Å; R26-E30 WeakPolarHBondContact O-CG 3.29Å; R26-E30 PolarHBondContact O-N 2.99Å
27	E	86.3	Confident	84.2	Confident	136 Å²	136	101.4 Å²	101.4	64%	0.636	47%	0.469	S	S	*	.	H	α-helix	trans	-57.2	-44.6	175.1	-74.2	179.7	160.8	0	0	111.7	D23 A31	D23-E27 WeakPolarHBondContact O-CG 3.24Å; D23-E27 PolarHBondContact O-N 2.78Å; E27-A31 VanDerWaalsContact O-CB 3.24Å; E27-A31 WeakPolarHBondContact O-CB 3.4Å; E27-A31 PolarHBondContact O-N 2.8Å
28	R	83	Confident	84.4	Confident	191 Å²	191	106.7 Å²	106.7	72%	0.721	49%	0.493	S	S	*	.	H	α-helix	trans	-62.4	-44.8	175.8	-75.7	169	-179.6	-117	-4.3	111.9	S24 M25 R26 A31 E32	S24-R28 WeakPolarHBondContact O-CB 3.26Å; S24-R28 VanDerWaalsContact O-CD 3.3Å; S24-R28 WeakPolarHBondContact O-CD 3.5Å; S24-R28 WeakPolarHBondContact O-CG 3.33Å; S24-R28 PolarHBondContact O-N 3.32Å; M25-R28 PolarHBondContact O-N 3.38Å; R26-R28 VanDerWaalsContact C-N 3.31Å; R26-R28 PolarHBondContact O-N 3.44Å; R28-A31 PolarHBondContact O-N 2.82Å; R28-E32 VanDerWaalsContact O-CB 3.31Å; R28-E32 WeakPolarHBondContact O-CB 3.43Å; R28-E32 PolarHBondContact O-N 3.41Å
29	F	86	Confident	84.5	Confident	121 Å²	121	106.4 Å²	106.4	53%	0.531	49%	0.485	S	S	.	.	H	α-helix	trans	-67.2	-43.3	178.7	179.9	-99.3	0	0	0	112.1	M25 R26 A31 E32 M33	M25-F29 WeakPolarHBondContact O-CB 3.35Å; M25-F29 PolarHBondContact O-N 3.5Å; R26-F29 PolarHBondContact O-N 3.26Å; F29-A31 VanDerWaalsContact C-N 3.33Å; F29-A31 PolarHBondContact O-N 3.46Å; F29-E32 PolarHBondContact O-N 2.81Å; F29-M33 HydrophobicContact CD1-CG 4.04Å; F29-M33 HydrophobicContact CD2-CE 4.4Å; F29-M33 HydrophobicContact CD2-CG 4.2Å; F29-M33 HydrophobicContact CE1-CG 3.6Å; F29-M33 HydrophobicContact CE1-SD 4.49Å; F29-M33 HydrophobicContact CE2-CE 3.89Å; F29-M33 HydrophobicContact CE2-CG 3.78Å; F29-M33 HydrophobicContact CE2-SD 3.92Å; F29-M33 HydrophobicContact CG-CG 4.32Å; F29-M33 HydrophobicContact CZ-CE 4.38Å; F29-M33 HydrophobicContact CZ-CG 3.46Å; F29-M33 VanDerWaalsContact CZ-CG 3.46Å; F29-M33 HydrophobicContact CZ-SD 3.78Å; F29-M33 WeakPolarHBondContact O-CB 3.43Å; F29-M33 VanDerWaalsContact O-CG 3.26Å; F29-M33 WeakPolarHBondContact O-CG 3.29Å; F29-M33 PolarHBondContact O-N 2.86Å
30	E	88.5	Confident	84.1	Confident	99 Å²	99	107.7 Å²	107.7	46%	0.463	49%	0.49	S	S	.	.	H	α-helix	trans	-65	-36.4	175.9	-71.7	-177.6	-173	0	0	111.5	R26 R34	R26-E30 HydrophobicContact CG-CG 4.37Å; R26-E30 IonicContact CZ-OE1 3.87Å; R26-E30 VanDerWaalsContact CZ-OE1 3.27Å; R26-E30 IonicContact NE-OE1 2.74Å; R26-E30 PolarHBondContact NE-OE1 3.43Å; R26-E30 IonicContact NH2-OE1 3.44Å; R26-E30 PolarHBondContact NH2-OE1 2.94Å; R26-E30 WeakPolarHBondContact O-CB 3.39Å; R26-E30 WeakPolarHBondContact O-CG 3.29Å; R26-E30 PolarHBondContact O-N 2.99Å; E30-R34 WeakPolarHBondContact O-CB 3.41Å; E30-R34 PolarHBondContact O-N 3.28Å
31	A	89.6	Confident	84.1	Confident	61 Å²	61	103.7 Å²	103.7	50%	0.504	48%	0.483	S	S	.	.	H	α-helix	trans	-70.5	-39.5	173	0	0	0	0	0	113.1	E27 R28 F29 R35	E27-A31 VanDerWaalsContact O-CB 3.24Å; E27-A31 WeakPolarHBondContact O-CB 3.4Å; E27-A31 PolarHBondContact O-N 2.8Å; R28-A31 PolarHBondContact O-N 2.82Å; F29-A31 VanDerWaalsContact C-N 3.33Å; F29-A31 PolarHBondContact O-N 3.46Å; A31-R35 WeakPolarHBondContact O-CB 3.32Å; A31-R35 PolarHBondContact O-N 3.46Å
32	E	84.8	Confident	84.1	Confident	89 Å²	89	108 Å²	108	42%	0.416	50%	0.498	S	S	.	.	H	α-helix	trans	-68.3	-43.9	175.4	-176.3	170.3	-157.6	0	0	111.3	R28 F29 R34 R35 V36 Y81	R28-E32 VanDerWaalsContact O-CB 3.31Å; R28-E32 WeakPolarHBondContact O-CB 3.43Å; R28-E32 PolarHBondContact O-N 3.41Å; F29-E32 PolarHBondContact O-N 2.81Å; E32-R34 PolarHBondContact O-N 3.21Å; E32-R35 CarbonylContact O-C 3.57Å; E32-R35 WeakPolarHBondContact O-CB 3.46Å; E32-R35 PolarHBondContact O-N 3.17Å; E32-R35 VanDerWaalsContact O-N 3.12Å; E32-V36 HydrophobicContact CG-CG2 4.36Å; E32-V36 WeakPolarHBondContact O-CB 3.43Å; E32-V36 WeakPolarHBondContact O-CG2 3.48Å; E32-V36 PolarHBondContact O-N 2.93Å; E32-Y81 PolarHBondContact OE1-OH 3.23Å
33	M	84.6	Confident	84	Confident	69 Å²	69	106.2 Å²	106.2	34%	0.34	50%	0.495	S	S	.	.	H	α-helix	trans	-62.5	-42.1	174.5	-69.9	-58.5	97.4	0	0	111.5	F29 R35 V36 E37	F29-M33 HydrophobicContact CD1-CG 4.04Å; F29-M33 HydrophobicContact CD2-CE 4.4Å; F29-M33 HydrophobicContact CD2-CG 4.2Å; F29-M33 HydrophobicContact CE1-CG 3.6Å; F29-M33 HydrophobicContact CE1-SD 4.49Å; F29-M33 HydrophobicContact CE2-CE 3.89Å; F29-M33 HydrophobicContact CE2-CG 3.78Å; F29-M33 HydrophobicContact CE2-SD 3.92Å; F29-M33 HydrophobicContact CG-CG 4.32Å; F29-M33 HydrophobicContact CZ-CE 4.38Å; F29-M33 HydrophobicContact CZ-CG 3.46Å; F29-M33 VanDerWaalsContact CZ-CG 3.46Å; F29-M33 HydrophobicContact CZ-SD 3.78Å; F29-M33 WeakPolarHBondContact O-CB 3.43Å; F29-M33 VanDerWaalsContact O-CG 3.26Å; F29-M33 WeakPolarHBondContact O-CG 3.29Å; F29-M33 PolarHBondContact O-N 2.86Å; M33-R35 VanDerWaalsContact C-N 3.33Å; M33-R35 PolarHBondContact O-N 3.38Å; M33-V36 HydrophobicContact CE-CG2 4.41Å; M33-V36 PolarHBondContact O-N 2.91Å; M33-E37 WeakPolarHBondContact O-CB 3.05Å; M33-E37 WeakPolarHBondContact O-CG 3.18Å; M33-E37 PolarHBondContact O-N 3.25Å
34	R	91.9	Very high	83.4	Confident	167 Å²	167	110.4 Å²	110.4	63%	0.63	50%	0.504	S	S	*	.	H	α-helix	trans	-57.5	-46.4	170.2	176.9	177.1	-64.6	159.9	4.6	111.4	E30 E32 V36 E37 E38	E30-R34 WeakPolarHBondContact O-CB 3.41Å; E30-R34 PolarHBondContact O-N 3.28Å; E32-R34 PolarHBondContact O-N 3.21Å; R34-V36 VanDerWaalsContact C-N 3.34Å; R34-V36 PolarHBondContact O-N 3.47Å; R34-E37 PolarHBondContact O-N 3.21Å; R34-E38 WeakPolarHBondContact CD-OE1 3.31Å; R34-E38 HydrophobicContact CG-CG 4.37Å; R34-E38 VanDerWaalsContact CG-OE1 3.29Å; R34-E38 WeakPolarHBondContact CG-OE1 3.46Å; R34-E38 WeakPolarHBondContact O-CB 3.4Å; R34-E38 WeakPolarHBondContact O-CG 3.47Å; R34-E38 PolarHBondContact O-N 3.35Å
35	R	87.7	Confident	83.2	Confident	142 Å²	142	115.9 Å²	115.9	54%	0.536	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-39.2	178.4	-179.5	178.9	166.6	-145.4	-19.3	111.9	A31 E32 M33 E38 E39	A31-R35 WeakPolarHBondContact O-CB 3.32Å; A31-R35 PolarHBondContact O-N 3.46Å; E32-R35 CarbonylContact O-C 3.57Å; E32-R35 WeakPolarHBondContact O-CB 3.46Å; E32-R35 PolarHBondContact O-N 3.17Å; E32-R35 VanDerWaalsContact O-N 3.12Å; M33-R35 VanDerWaalsContact C-N 3.33Å; M33-R35 PolarHBondContact O-N 3.38Å; R35-E38 PolarHBondContact O-N 3.17Å; R35-E39 HydrophobicContact CG-CG 4.44Å; R35-E39 IonicContact CZ-OE1 2.67Å; R35-E39 IonicContact NE-OE1 3.66Å; R35-E39 PolarHBondContact NE-OE1 2.98Å; R35-E39 IonicContact NH2-OE1 3.75Å; R35-E39 PolarHBondContact NH2-OE1 2.96Å; R35-E39 IonicContact NH2-OE2 2.68Å; R35-E39 WeakPolarHBondContact O-CB 3.38Å; R35-E39 WeakPolarHBondContact O-CG 3.33Å; R35-E39 PolarHBondContact O-N 2.82Å
36	V	82.2	Confident	82.6	Confident	47 Å²	47	112.1 Å²	112.1	29%	0.285	50%	0.501	S	S	.	.	H	α-helix	trans	-69.4	-39	176.3	170.2	0	0	0	0	110.9	E32 M33 R34 E39 M40	E32-V36 HydrophobicContact CG-CG2 4.36Å; E32-V36 WeakPolarHBondContact O-CB 3.43Å; E32-V36 WeakPolarHBondContact O-CG2 3.48Å; E32-V36 PolarHBondContact O-N 2.93Å; M33-V36 HydrophobicContact CE-CG2 4.41Å; M33-V36 PolarHBondContact O-N 2.91Å; R34-V36 VanDerWaalsContact C-N 3.34Å; R34-V36 PolarHBondContact O-N 3.47Å; V36-E39 PolarHBondContact O-N 2.89Å; V36-M40 HydrophobicContact CG1-CG 4.25Å; V36-M40 WeakPolarHBondContact O-CB 3.33Å; V36-M40 WeakPolarHBondContact O-CG 3.48Å; V36-M40 PolarHBondContact O-N 2.88Å
37	E	80.8	Confident	81.5	Confident	136 Å²	136	114.5 Å²	114.5	64%	0.636	52%	0.515	S	S	*	.	H	α-helix	trans	-65.2	-39.4	171.8	-75.7	-174.8	165.9	0	0	112	M33 R34 S41	M33-E37 WeakPolarHBondContact O-CB 3.05Å; M33-E37 WeakPolarHBondContact O-CG 3.18Å; M33-E37 PolarHBondContact O-N 3.25Å; R34-E37 PolarHBondContact O-N 3.21Å; E37-S41 WeakPolarHBondContact O-CA 3.49Å; E37-S41 WeakPolarHBondContact O-CB 3.19Å; E37-S41 PolarHBondContact O-N 3.17Å; E37-S41 PolarHBondContact O-OG 2.75Å
38	E	89.1	Confident	80.1	Confident	118 Å²	118	113.3 Å²	113.3	55%	0.551	51%	0.51	S	S	*	.	H	α-helix	trans	-66.6	-44.5	173.6	-77.2	177.1	-157.5	0	0	111.7	R34 R35 S41 R42	R34-E38 WeakPolarHBondContact CD-OE1 3.31Å; R34-E38 HydrophobicContact CG-CG 4.37Å; R34-E38 VanDerWaalsContact CG-OE1 3.29Å; R34-E38 WeakPolarHBondContact CG-OE1 3.46Å; R34-E38 WeakPolarHBondContact O-CB 3.4Å; R34-E38 WeakPolarHBondContact O-CG 3.47Å; R34-E38 PolarHBondContact O-N 3.35Å; R35-E38 PolarHBondContact O-N 3.17Å; E38-S41 PolarHBondContact O-N 2.7Å; E38-R42 WeakPolarHBondContact O-CA 3.29Å; E38-R42 WeakPolarHBondContact O-CB 3.45Å; E38-R42 PolarHBondContact O-N 2.78Å
39	E	79.7	Confident	78.9	Confident	89 Å²	89	111.5 Å²	111.5	42%	0.416	51%	0.51	S	S	.	.	H	α-helix	trans	-68.4	-37.9	176.9	-76.3	-175.6	-162.5	0	0	111.9	R35 V36 L43	R35-E39 HydrophobicContact CG-CG 4.44Å; R35-E39 IonicContact CZ-OE1 2.67Å; R35-E39 IonicContact NE-OE1 3.66Å; R35-E39 PolarHBondContact NE-OE1 2.98Å; R35-E39 IonicContact NH2-OE1 3.75Å; R35-E39 PolarHBondContact NH2-OE1 2.96Å; R35-E39 IonicContact NH2-OE2 2.68Å; R35-E39 WeakPolarHBondContact O-CB 3.38Å; R35-E39 WeakPolarHBondContact O-CG 3.33Å; R35-E39 PolarHBondContact O-N 2.82Å; V36-E39 PolarHBondContact O-N 2.89Å; E39-L43 WeakPolarHBondContact O-CB 3.45Å; E39-L43 PolarHBondContact O-N 3.46Å
40	M	74.4	Confident	77.3	Confident	119 Å²	119	112.7 Å²	112.7	59%	0.586	51%	0.512	S	S	*	.	H	α-helix	trans	-69.7	-42.4	172.7	-74.7	-72.3	-179.4	0	0	112.1	V36 R42 L43 R44	V36-M40 HydrophobicContact CG1-CG 4.25Å; V36-M40 WeakPolarHBondContact O-CB 3.33Å; V36-M40 WeakPolarHBondContact O-CG 3.48Å; V36-M40 PolarHBondContact O-N 2.88Å; M40-R42 VanDerWaalsContact C-N 3.3Å; M40-R42 PolarHBondContact O-N 2.77Å; M40-L43 PolarHBondContact O-N 3.29Å; M40-R44 VanDerWaalsContact O-CB 3.24Å; M40-R44 WeakPolarHBondContact O-CB 3.21Å; M40-R44 PolarHBondContact O-N 2.79Å
41	S	81.4	Confident	75.1	Confident	57 Å²	57	111.7 Å²	111.7	40%	0.399	51%	0.512	S	S	.	.	H	α-helix	trans	-72.2	-25.9	176.7	-61.3	0	0	0	0	112.4	E37 E38 R45	E37-S41 WeakPolarHBondContact O-CA 3.49Å; E37-S41 WeakPolarHBondContact O-CB 3.19Å; E37-S41 PolarHBondContact O-N 3.17Å; E37-S41 PolarHBondContact O-OG 2.75Å; E38-S41 PolarHBondContact O-N 2.7Å; S41-R45 WeakPolarHBondContact O-CG 3.31Å; S41-R45 PolarHBondContact O-N 3.5Å; S41-R45 PolarHBondContact O-NE 2.76Å
42	R	81.8	Confident	72.8	Confident	113 Å²	113	111.4 Å²	111.4	43%	0.426	51%	0.505	S	S	.	.	H	α-helix	trans	-73	-52.9	167.6	178.1	179.6	165.5	-151.6	-21.5	109.7	E38 M40 R44 R45 E46	E38-R42 WeakPolarHBondContact O-CA 3.29Å; E38-R42 WeakPolarHBondContact O-CB 3.45Å; E38-R42 PolarHBondContact O-N 2.78Å; M40-R42 VanDerWaalsContact C-N 3.3Å; M40-R42 PolarHBondContact O-N 2.77Å; R42-R44 VanDerWaalsContact C-N 3.26Å; R42-R44 PolarHBondContact O-N 3.46Å; R42-R45 CarbonylContact O-C 3.57Å; R42-R45 WeakPolarHBondContact O-CA 3.17Å; R42-R45 PolarHBondContact O-N 3.44Å; R42-E46 IonicContact CZ-OE2 2.93Å; R42-E46 IonicContact NE-OE2 2.66Å; R42-E46 PolarHBondContact NE-OE2 2.61Å; R42-E46 VanDerWaalsContact NH2-CD 3.32Å; R42-E46 IonicContact NH2-OE1 2.66Å; R42-E46 PolarHBondContact NH2-OE1 3.5Å; R42-E46 IonicContact NH2-OE2 3.76Å; R42-E46 PolarHBondContact NH2-OE2 2.92Å; R42-E46 WeakPolarHBondContact O-CB 3.09Å; R42-E46 PolarHBondContact O-N 2.96Å
43	L	79.3	Confident	69.9	Low	99 Å²	99	115.7 Å²	115.7	52%	0.518	52%	0.518	S	S	.	.	H	α-helix	trans	-56.2	-42	179.4	178.9	60.9	0	0	0	111.2	E39 M40 E46 F47	E39-L43 WeakPolarHBondContact O-CB 3.45Å; E39-L43 PolarHBondContact O-N 3.46Å; M40-L43 PolarHBondContact O-N 3.29Å; L43-E46 PolarHBondContact O-N 3.32Å; L43-F47 WeakPolarHBondContact O-CB 3.48Å; L43-F47 PolarHBondContact O-N 2.99Å
44	R	70.1	Confident	66.9	Low	178 Å²	178	118 Å²	118	67%	0.672	53%	0.529	S	S	*	.	H	α-helix	trans	-56.6	-53.5	172.6	-177.5	170.2	-178.7	167.1	3.2	111.6	M40 R42 E46 F47 E48	M40-R44 VanDerWaalsContact O-CB 3.24Å; M40-R44 WeakPolarHBondContact O-CB 3.21Å; M40-R44 PolarHBondContact O-N 2.79Å; R42-R44 VanDerWaalsContact C-N 3.26Å; R42-R44 PolarHBondContact O-N 3.46Å; R44-E46 VanDerWaalsContact C-N 3.26Å; R44-E46 PolarHBondContact O-N 2.77Å; R44-F47 PolarHBondContact O-N 3.41Å; R44-E48 VanDerWaalsContact CG-OE1 3.32Å; R44-E48 WeakPolarHBondContact CG-OE1 3.16Å; R44-E48 IonicContact NE-OE1 3.62Å; R44-E48 WeakPolarHBondContact O-CB 3.42Å; R44-E48 VanDerWaalsContact O-CD 3.23Å; R44-E48 WeakPolarHBondContact O-CG 3.24Å; R44-E48 PolarHBondContact O-N 3.12Å
45	R	78.1	Confident	63.8	Low	144 Å²	144	115.1 Å²	115.1	54%	0.543	53%	0.534	S	S	.	.	H	α-helix	trans	-65.8	-23.8	175.2	-75.7	178.2	-70.6	173.5	-2.6	114	S41 R42 E48 H49	S41-R45 WeakPolarHBondContact O-CG 3.31Å; S41-R45 PolarHBondContact O-N 3.5Å; S41-R45 PolarHBondContact O-NE 2.76Å; R42-R45 CarbonylContact O-C 3.57Å; R42-R45 WeakPolarHBondContact O-CA 3.17Å; R42-R45 PolarHBondContact O-N 3.44Å; R45-E48 WeakPolarHBondContact CA-OE2 3.42Å; R45-E48 CarbonylContact O-C 3.59Å; R45-H49 WeakPolarHBondContact O-CA 3.3Å; R45-H49 WeakPolarHBondContact O-CB 3.49Å; R45-H49 PolarHBondContact O-CD2 2.88Å; R45-H49 VanDerWaalsContact O-CD2 3.29Å; R45-H49 PolarHBondContact O-N 2.94Å
46	E	69	Low	61.3	Low	43 Å²	43	111.2 Å²	111.2	20%	0.201	53%	0.527	C	S	.	.	H	α-helix	trans	-87.4	-34.9	-177.2	-167.1	152.4	154.6	0	0	111	R42 L43 R44 H49 Y50	R42-E46 IonicContact CZ-OE2 2.93Å; R42-E46 IonicContact NE-OE2 2.66Å; R42-E46 PolarHBondContact NE-OE2 2.61Å; R42-E46 VanDerWaalsContact NH2-CD 3.32Å; R42-E46 IonicContact NH2-OE1 2.66Å; R42-E46 PolarHBondContact NH2-OE1 3.5Å; R42-E46 IonicContact NH2-OE2 3.76Å; R42-E46 PolarHBondContact NH2-OE2 2.92Å; R42-E46 WeakPolarHBondContact O-CB 3.09Å; R42-E46 PolarHBondContact O-N 2.96Å; L43-E46 PolarHBondContact O-N 3.32Å; R44-E46 VanDerWaalsContact C-N 3.26Å; R44-E46 PolarHBondContact O-N 2.77Å; E46-H49 CarbonylContact O-C 3.58Å; E46-H49 PolarHBondContact O-N 2.86Å; E46-Y50 HydrophobicContact CG-CD1 4.42Å; E46-Y50 WeakPolarHBondContact CG-O 3.48Å; E46-Y50 PolarHBondContact O-N 3.03Å
47	F	62.3	Low	59.3	Low	186 Å²	186	113.9 Å²	113.9	82%	0.816	55%	0.546	S	S	*	.	H	α-helix	trans	-72.2	-20.9	165.4	-134.6	-95.3	0	0	0	112.2	L43 R44	L43-F47 WeakPolarHBondContact O-CB 3.48Å; L43-F47 PolarHBondContact O-N 2.99Å; R44-F47 PolarHBondContact O-N 3.41Å
48	E	57.6	Low	57.7	Low	111 Å²	111	114.3 Å²	114.3	52%	0.519	55%	0.545	S	S	.	.	S	Bend	trans	-79.7	-24	161.1	-65.4	155.8	-175.8	0	0	112.1	R44 R45	R44-E48 VanDerWaalsContact CG-OE1 3.32Å; R44-E48 WeakPolarHBondContact CG-OE1 3.16Å; R44-E48 IonicContact NE-OE1 3.62Å; R44-E48 WeakPolarHBondContact O-CB 3.42Å; R44-E48 VanDerWaalsContact O-CD 3.23Å; R44-E48 WeakPolarHBondContact O-CG 3.24Å; R44-E48 PolarHBondContact O-N 3.12Å; R45-E48 WeakPolarHBondContact CA-OE2 3.42Å; R45-E48 CarbonylContact O-C 3.59Å
49	H	58	Low	55.7	Low	154 Å²	154	111.4 Å²	111.4	71%	0.713	55%	0.547	S	S	*	.	S	Bend	trans	-148.8	-49.7	-164.9	-50.4	-21.2	0	0	0	125.5	R45 E46	R45-H49 WeakPolarHBondContact O-CA 3.3Å; R45-H49 WeakPolarHBondContact O-CB 3.49Å; R45-H49 PolarHBondContact O-CD2 2.88Å; R45-H49 VanDerWaalsContact O-CD2 3.29Å; R45-H49 PolarHBondContact O-N 2.94Å; E46-H49 CarbonylContact O-C 3.58Å; E46-H49 PolarHBondContact O-N 2.86Å
50	Y	53	Low	54.1	Low	146 Å²	146	116.3 Å²	116.3	57%	0.573	57%	0.57	S	S	*	*			trans	-138.2	176.4	-133.6	-179.6	-105.5	0	0	0	120.1	E46 P52	E46-Y50 HydrophobicContact CG-CD1 4.42Å; E46-Y50 WeakPolarHBondContact CG-O 3.48Å; E46-Y50 PolarHBondContact O-N 3.03Å; Y50-P52 HydrophobicContact CE1-CB 4.29Å
51	T	42.7	Very low	53	Low	78 Å²	78	117.6 Å²	117.6	48%	0.479	58%	0.578	S	S	.	*			trans	-161.4	154.7	158.4	57.8	0	0	0	0	116.2	R53	T51-R53 PolarHBondContact O-NH1 2.65Å; T51-R53 PolarHBondContact OG1-NH1 3.02Å
52	P	40	Very low	51.3	Low	55 Å²	55	119.4 Å²	119.4	36%	0.357	58%	0.583	S	S	.	*			trans	-110	-178	-174	43.6	-41.2	0	0	0	118.8	Y50	Y50-P52 HydrophobicContact CE1-CB 4.29Å
53	R	23.8	Very low	49.6	Very low	179 Å²	179	121.5 Å²	121.5	68%	0.675	60%	0.597	S	S	*	*			trans	-161.7	173.3	-173.5	-80.7	108.5	-175.2	114.3	-19	111.3	T51	T51-R53 PolarHBondContact O-NH1 2.65Å; T51-R53 PolarHBondContact OG1-NH1 3.02Å
54	M	22.1	Very low	47.6	Very low	118 Å²	118	122.9 Å²	122.9	58%	0.581	61%	0.605	S	S	*	*			cis	-174	170.2	-11.2	-93.7	-106.7	-162.5	0	0	110.5	P75	M54-P75 HydrophobicContact CE-CB 3.78Å; M54-P75 HydrophobicContact SD-CB 3.71Å
55	S	27.2	Very low	46.1	Very low	106 Å²	106	120.2 Å²	120.2	74%	0.741	61%	0.611	S	S	*	*			trans	108.8	133.3	151.3	-44.1	0	0	0	0	124.3	A74	S55-A74 PolarHBondContact N-O 2.94Å
56	P	34.2	Very low	44	Very low	60 Å²	60	121.6 Å²	121.6	39%	0.39	62%	0.621	S	S	.	*			trans	-135.6	-171.7	172.5	50.9	-40.2	0	0	0	116	G73 A74	P56-G73 VanDerWaalsContact CG-O 3.31Å; P56-G73 WeakPolarHBondContact CG-O 3.37Å; P56-G73 PolarHBondContact O-N 3.41Å; P56-A74 HydrophobicContact CG-CB 3.53Å
57	P	40.4	Very low	42.6	Very low	103 Å²	103	127.2 Å²	127.2	67%	0.669	65%	0.645	S	S	*	*			trans	-94.4	-116.8	-166.3	38	-35.4	0	0	0	121.4	G72	P57-G72 VanDerWaalsContact O-CA 3.25Å; P57-G72 WeakPolarHBondContact O-CA 3.4Å; P57-G72 PolarHBondContact O-N 2.87Å
58	K	47.5	Very low	41.8	Very low	144 Å²	144	123.1 Å²	123.1	63%	0.626	64%	0.637	S	S	*	*			trans	-160.4	-169.4	-140.6	-54.5	-168.1	174.1	-162.1	0	117.3	S70	K58-S70 VanDerWaalsContact CD-O 3.3Å; K58-S70 WeakPolarHBondContact CD-O 3.13Å; K58-S70 VanDerWaalsContact CE-O 3.27Å; K58-S70 WeakPolarHBondContact CE-O 3.25Å; K58-S70 PolarHBondContact NZ-O 2.85Å
59	G	47.6	Very low	41.5	Very low	57 Å²	57	123.7 Å²	123.7	59%	0.588	65%	0.649	S	S	*	*			trans	-118	-162.9	171.9	0	0	0	0	0	115.9
60	Q	46.3	Very low	40.5	Very low	193 Å²	193	119.5 Å²	119.5	90%	0.902	64%	0.636	S	S	*	*			trans	-151.6	150.8	-167.9	-176.4	180	76.8	0	0	113.5
61	I	49.9	Very low	39.3	Very low	145 Å²	145	118.3 Å²	118.3	74%	0.744	65%	0.645	S	S	*	*			cis	-150.3	149.6	-43.6	-106.2	162.7	0	0	0	105
62	D	45.8	Very low	38.4	Very low	95 Å²	95	117.6 Å²	117.6	51%	0.508	65%	0.653	S	S	.	*			trans	-73.1	160.1	-171.1	-53.1	-86.5	0	0	0	115.5	F67 P68 T69	D62-F67 WeakPolarHBondContact CB-O 3.21Å; D62-P68 VanDerWaalsContact OD2-CA 3.26Å; D62-P68 WeakPolarHBondContact OD2-CA 3.49Å; D62-T69 PolarHBondContact OD2-N 3.22Å
63	H	46.8	Very low	37.9	Very low	157 Å²	157	117.8 Å²	117.8	73%	0.727	67%	0.665	S	S	*	*			trans	-74	164	-165.7	176.3	-81.7	0	0	0	115.5
64	D	37.7	Very low	38.5	Very low	128 Å²	128	111.7 Å²	111.7	68%	0.684	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-34.3	150.5	165.2	-95.3	-47.1	0	0	0	114.7	F66	D64-F66 VanDerWaalsContact C-N 3.33Å; D64-F66 PolarHBondContact O-N 2.82Å
65	P	38.3	Very low	39.6	Very low	122 Å²	122	110.9 Å²	110.9	79%	0.792	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-41.4	65.5	-140	-36.3	35.9	0	0	0	121.3
66	F	34.1	Very low	40.8	Very low	173 Å²	173	110.4 Å²	110.4	76%	0.759	65%	0.65	S	S	*	*	S	Bend	trans	-121	-74.5	171.5	-97.7	-113	0	0	0	115.8	D64	D64-F66 VanDerWaalsContact C-N 3.33Å; D64-F66 PolarHBondContact O-N 2.82Å
67	F	39.1	Very low	41.8	Very low	162 Å²	162	112 Å²	112	71%	0.711	67%	0.669	S	S	*	*			trans	-151.2	170.2	-169.5	-64.7	-70.4	0	0	0	116.9	D62	D62-F67 WeakPolarHBondContact CB-O 3.21Å
68	P	45.8	Very low	42.3	Very low	99 Å²	99	115.9 Å²	115.9	64%	0.643	68%	0.683	S	S	*	*			trans	-145.9	163	-169.6	41	-21	0	0	0	123.1	D62	D62-P68 VanDerWaalsContact OD2-CA 3.26Å; D62-P68 WeakPolarHBondContact OD2-CA 3.49Å
69	T	52.1	Low	42.7	Very low	124 Å²	124	118.2 Å²	118.2	76%	0.761	69%	0.693	S	S	*	*			trans	120.9	140.1	138.1	-38.8	0	0	0	0	124.1	D62	D62-T69 PolarHBondContact OD2-N 3.22Å
70	S	36.8	Very low	43	Very low	65 Å²	65	124.2 Å²	124.2	46%	0.455	71%	0.706	S	S	.	*			trans	-160.2	174.4	177.2	70.7	0	0	0	0	121.8	K58	K58-S70 VanDerWaalsContact CD-O 3.3Å; K58-S70 WeakPolarHBondContact CD-O 3.13Å; K58-S70 VanDerWaalsContact CE-O 3.27Å; K58-S70 WeakPolarHBondContact CE-O 3.25Å; K58-S70 PolarHBondContact NZ-O 2.85Å
71	T	26.7	Very low	43.1	Very low	122 Å²	122	121.3 Å²	121.3	75%	0.748	69%	0.688	S	S	*	*			trans	-165.2	138.4	-174.4	50.8	0	0	0	0	124.1
72	G	24.4	Very low	43.1	Very low	63 Å²	63	117.4 Å²	117.4	65%	0.649	67%	0.668	S	S	*	*				107.7	136.1	123.7	0	0	0	0	0	129.3	P57	P57-G72 VanDerWaalsContact O-CA 3.25Å; P57-G72 WeakPolarHBondContact O-CA 3.4Å; P57-G72 PolarHBondContact O-N 2.87Å
73	G	28.8	Very low	43.4	Very low	59 Å²	59	116.8 Å²	116.8	61%	0.608	67%	0.669	S	S	*	*			trans	122.6	130.5	140.5	0	0	0	0	0	126.3	P56	P56-G73 VanDerWaalsContact CG-O 3.31Å; P56-G73 WeakPolarHBondContact CG-O 3.37Å; P56-G73 PolarHBondContact O-N 3.41Å
74	A	37.1	Very low	43.2	Very low	51 Å²	51	118.3 Å²	118.3	42%	0.421	67%	0.67	S	S	.	*			trans	175.8	165.6	169.8	0	0	0	0	0	120.8	S55 P56	S55-A74 PolarHBondContact N-O 2.94Å; P56-A74 HydrophobicContact CG-CB 3.53Å
75	P	45.2	Very low	43.5	Very low	101 Å²	101	119.5 Å²	119.5	66%	0.656	67%	0.669	S	S	*	*			trans	-131.4	-178.4	-168.9	45.4	-30.1	0	0	0	122.4	M54	M54-P75 HydrophobicContact CE-CB 3.78Å; M54-P75 HydrophobicContact SD-CB 3.71Å
76	P	52.5	Low	44	Very low	95 Å²	95	120.1 Å²	120.1	62%	0.617	67%	0.666	S	S	*	*			trans	-135.9	-179.5	-173.1	43.6	-26.5	0	0	0	121.7
77	A	53.9	Low	44.4	Very low	94 Å²	94	115.8 Å²	115.8	78%	0.777	66%	0.657	S	S	*	*			trans	-155.2	173.9	175.3	0	0	0	0	0	117.4
78	L	51.1	Low	44.7	Very low	184 Å²	184	115.3 Å²	115.3	96%	0.963	66%	0.66	S	S	*	*			trans	-68.9	132.1	178.2	-103.9	-179.7	0	0	0	113
79	K	56.7	Low	45.5	Very low	193 Å²	193	115.9 Å²	115.9	84%	0.839	66%	0.658	S	S	*	*			trans	-108.4	138.3	179.4	-66.7	-174.6	177.2	-174.7	0	112.1	Y81	K79-Y81 PolarHBondContact O-N 3.28Å
80	Q	53.5	Low	46.4	Very low	183 Å²	183	112.4 Å²	112.4	86%	0.855	64%	0.639	S	S	*	*			trans	-71.7	110.7	168.2	-173.9	168.1	-11.5	0	0	108.5	D82	Q80-D82 PolarHBondContact O-N 3.04Å
81	Y	47.8	Very low	48.5	Very low	133 Å²	133	115.1 Å²	115.1	52%	0.522	66%	0.655	S	S	.	*			trans	-74.5	111.4	174.2	176.2	-94.4	0	0	0	108.5	E32 K79 P83	E32-Y81 PolarHBondContact OE1-OH 3.23Å; K79-Y81 PolarHBondContact O-N 3.28Å; Y81-P83 HydrophobicContact CE1-CB 3.93Å; Y81-P83 HydrophobicContact CE1-CG 4.03Å
82	D	50.3	Low	51.4	Low	62 Å²	62	112.6 Å²	112.6	33%	0.332	64%	0.636	S	S	.	*			trans	-123.4	106	170.5	-170.9	-35.7	0	0	0	107.9	Q80 Y84 F85	Q80-D82 PolarHBondContact O-N 3.04Å; D82-Y84 PolarHBondContact O-N 2.82Å; D82-Y84 VanDerWaalsContact O-N 3.13Å; D82-Y84 WeakPolarHBondContact OD1-CB 3.23Å; D82-Y84 PolarHBondContact OD1-N 3.02Å; D82-F85 HydrophobicContact CB-CB 4.15Å; D82-F85 HydrophobicContact CB-CD2 4.08Å; D82-F85 HydrophobicContact CB-CG 4.44Å; D82-F85 PolarHBondContact O-N 3.09Å; D82-F85 WeakPolarHBondContact OD2-CD2 3.4Å
83	P	53.1	Low	54.4	Low	82 Å²	82	111.6 Å²	111.6	53%	0.532	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.2	-10.3	-174.5	29.1	-35	0	0	0	112.9	Y81	Y81-P83 HydrophobicContact CE1-CB 3.93Å; Y81-P83 HydrophobicContact CE1-CG 4.03Å
84	Y	42	Very low	57.2	Low	189 Å²	189	112 Å²	112	74%	0.741	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-19.6	173.5	-58.8	-79.9	0	0	0	112.4	D82 S87	D82-Y84 PolarHBondContact O-N 2.82Å; D82-Y84 VanDerWaalsContact O-N 3.13Å; D82-Y84 WeakPolarHBondContact OD1-CB 3.23Å; D82-Y84 PolarHBondContact OD1-N 3.02Å; Y84-S87 WeakPolarHBondContact O-CA 3.43Å; Y84-S87 VanDerWaalsContact O-CB 3.25Å; Y84-S87 WeakPolarHBondContact O-CB 3.34Å; Y84-S87 PolarHBondContact O-N 3.12Å; Y84-S87 VanDerWaalsContact O-N 3.15Å
85	F	43.6	Very low	59.5	Low	154 Å²	154	114.6 Å²	114.6	68%	0.675	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-5.1	-167.8	-90.4	-104.1	0	0	0	117	D82 S87	D82-F85 HydrophobicContact CB-CB 4.15Å; D82-F85 HydrophobicContact CB-CD2 4.08Å; D82-F85 HydrophobicContact CB-CG 4.44Å; D82-F85 PolarHBondContact O-N 3.09Å; D82-F85 WeakPolarHBondContact OD2-CD2 3.4Å; F85-S87 WeakPolarHBondContact O-CB 3.14Å; F85-S87 PolarHBondContact O-N 3.42Å; F85-S87 VanDerWaalsContact O-N 3.17Å; F85-S87 PolarHBondContact O-OG 3.09Å
86	D	48.8	Very low	61.3	Low	135 Å²	135	113.2 Å²	113.2	72%	0.722	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-2.6	156.2	-82.9	-31	0	0	0	112.2	I88 N89	D86-I88 PolarHBondContact O-N 3.01Å; D86-N89 PolarHBondContact O-N 2.52Å
87	S	43.1	Very low	62.7	Low	82 Å²	82	114.3 Å²	114.3	57%	0.573	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	14.8	-25.1	150	63.9	0	0	0	0	124	Y84 F85	Y84-S87 WeakPolarHBondContact O-CA 3.43Å; Y84-S87 VanDerWaalsContact O-CB 3.25Å; Y84-S87 WeakPolarHBondContact O-CB 3.34Å; Y84-S87 PolarHBondContact O-N 3.12Å; Y84-S87 VanDerWaalsContact O-N 3.15Å; F85-S87 WeakPolarHBondContact O-CB 3.14Å; F85-S87 PolarHBondContact O-N 3.42Å; F85-S87 VanDerWaalsContact O-N 3.17Å; F85-S87 PolarHBondContact O-OG 3.09Å
88	I	46.4	Very low	64	Low	152 Å²	152	117.4 Å²	117.4	78%	0.779	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	-1	-175.4	-29.4	-175.2	0	0	0	112.5	D86 S90	D86-I88 PolarHBondContact O-N 3.01Å; I88-S90 VanDerWaalsContact C-N 3.29Å; I88-S90 PolarHBondContact O-N 3.04Å
89	N	61.5	Low	65.6	Low	111 Å²	111	110.4 Å²	110.4	59%	0.594	58%	0.577	S	S	*	*	S	Bend	trans	-74.7	82.6	165	-69.9	-46.5	0	0	0	110.1	D86	D86-N89 PolarHBondContact O-N 2.52Å
90	S	71.5	Confident	67.2	Low	51 Å²	51	105.3 Å²	105.3	36%	0.357	55%	0.554	S	S	.	*			trans	-54.7	132.2	178.4	172.9	0	0	0	0	111.6	I88 L92 I93	I88-S90 VanDerWaalsContact C-N 3.29Å; I88-S90 PolarHBondContact O-N 3.04Å; S90-L92 PolarHBondContact O-N 3.26Å; S90-L92 PolarHBondContact OG-N 3.33Å; S90-I93 PolarHBondContact O-N 3.01Å
91	P	80.1	Confident	69	Low	122 Å²	122	97.2 Å²	97.2	79%	0.792	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-11.6	-179.3	28.9	-36.4	0	0	0	113.5	I93	P91-I93 VanDerWaalsContact C-N 3.32Å
92	L	87.9	Confident	71.1	Confident	68 Å²	68	91.1 Å²	91.1	36%	0.356	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.4	172.9	-53.3	-177.7	0	0	0	112.7	S90 L102 R103 L104 F148	S90-L92 PolarHBondContact O-N 3.26Å; S90-L92 PolarHBondContact OG-N 3.33Å; L92-L102 HydrophobicContact CB-CD1 4.05Å; L92-L102 CarbonylContact O-C 3.49Å; L92-L102 WeakPolarHBondContact O-CA 3.32Å; L92-R103 PolarHBondContact O-N 3.31Å; L92-L104 HydrophobicContact CB-CD2 4.49Å; L92-L104 HydrophobicContact CD1-CD2 4.06Å; L92-L104 HydrophobicContact CD2-CD2 4.22Å; L92-L104 HydrophobicContact CG-CD2 4.49Å; L92-F148 HydrophobicContact CD1-CE2 4.15Å; L92-F148 HydrophobicContact CD1-CZ 4.39Å
93	I	88.3	Confident	73.2	Confident	43 Å²	43	89.7 Å²	89.7	22%	0.221	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.4	-179.4	-53.8	-51.7	0	0	0	109.2	S90 P91 K100 T101 L102 L175	S90-I93 PolarHBondContact O-N 3.01Å; P91-I93 VanDerWaalsContact C-N 3.32Å; I93-K100 HydrophobicContact CG2-CB 3.87Å; I93-K100 HydrophobicContact CG2-CD 4.15Å; I93-K100 HydrophobicContact CG2-CG 4.11Å; I93-T101 WeakPolarHBondContact CA-O 3.44Å; I93-L102 HydrophobicContact CD1-CB 4.11Å; I93-L102 HydrophobicContact CD1-CD1 3.72Å; I93-L175 HydrophobicContact CD1-CD1 3.88Å; I93-L175 HydrophobicContact CD1-CD2 4.1Å; I93-L175 HydrophobicContact CD1-CG 4.28Å; I93-L175 HydrophobicContact CG1-CD1 4.39Å; I93-L175 HydrophobicContact CG2-CD1 4.12Å
94	R	86.2	Confident	75.2	Confident	67 Å²	67	86.3 Å²	86.3	25%	0.253	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.3	167.3	-60.4	-157.4	-179.4	-176.2	-3	109.9	E21 E96 K100 T101	E21-R94 VanDerWaalsContact CD-NH2 3.25Å; E21-R94 IonicContact OE1-CZ 2.64Å; E21-R94 IonicContact OE1-NH1 3.17Å; E21-R94 PolarHBondContact OE1-NH1 2.94Å; E21-R94 IonicContact OE1-NH2 2.7Å; E21-R94 PolarHBondContact OE1-NH2 3Å; E21-R94 IonicContact OE2-CZ 3Å; E21-R94 IonicContact OE2-NH2 2.79Å; E21-R94 PolarHBondContact OE2-NH2 2.64Å; R94-E96 HydrophobicContact CB-CG 4.34Å; R94-K100 WeakPolarHBondContact O-CA 3.44Å; R94-T101 PolarHBondContact N-O 2.87Å; R94-T101 PolarHBondContact O-N 3.48Å
95	D	85.8	Confident	77.7	Confident	106 Å²	106	81.4 Å²	81.4	57%	0.567	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	120.3	164.4	-72.5	-74.1	0	0	0	108.6	K100	D95-K100 VanDerWaalsContact OD1-CE 3.27Å; D95-K100 WeakPolarHBondContact OD1-CE 3.45Å; D95-K100 WeakPolarHBondContact OD1-CG 3.32Å; D95-K100 IonicContact OD1-NZ 2.75Å; D95-K100 PolarHBondContact OD1-NZ 2.75Å; D95-K100 IonicContact OD2-NZ 3.19Å; D95-K100 PolarHBondContact OD2-NZ 2.75Å
96	E	82.4	Confident	80.2	Confident	71 Å²	71	74.8 Å²	74.8	33%	0.332	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	167	179.2	-67.2	172.3	176.5	0	0	107.9	R94 D98 G99 T101 R103	R94-E96 HydrophobicContact CB-CG 4.34Å; E96-D98 PolarHBondContact O-N 2.79Å; E96-D98 VanDerWaalsContact O-N 3.15Å; E96-G99 CarbonylContact C-O 3.58Å; E96-G99 PolarHBondContact N-O 3Å; E96-G99 PolarHBondContact O-N 2.7Å; E96-T101 WeakPolarHBondContact OE2-CB 3.32Å; E96-T101 PolarHBondContact OE2-OG1 2.91Å; E96-R103 IonicContact OE1-CZ 2.76Å; E96-R103 IonicContact OE1-NH2 2.75Å; E96-R103 PolarHBondContact OE1-NH2 2.79Å
97	S	82.2	Confident	82.5	Confident	118 Å²	118	72.7 Å²	72.7	83%	0.825	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.1	-173.9	48.1	0	0	0	0	113.7
98	D	81.7	Confident	85.1	Confident	159 Å²	159	68.9 Å²	68.9	85%	0.85	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-1.6	-168.1	-54.1	2.7	0	0	0	111.4	E96	E96-D98 PolarHBondContact O-N 2.79Å; E96-D98 VanDerWaalsContact O-N 3.15Å
99	G	85.3	Confident	87.4	Confident	38 Å²	38	64.8 Å²	64.8	39%	0.392	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	147.8	-167.5	-179	0	0	0	0	0	113.6	E96	E96-G99 CarbonylContact C-O 3.58Å; E96-G99 PolarHBondContact N-O 3Å; E96-G99 PolarHBondContact O-N 2.7Å
100	K	88.7	Confident	89.1	Confident	85 Å²	85	64.8 Å²	64.8	37%	0.37	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.8	170.8	-77.1	179.2	179.9	-69.1	0	109.8	I93 R94 D95 L175	I93-K100 HydrophobicContact CG2-CB 3.87Å; I93-K100 HydrophobicContact CG2-CD 4.15Å; I93-K100 HydrophobicContact CG2-CG 4.11Å; R94-K100 WeakPolarHBondContact O-CA 3.44Å; D95-K100 VanDerWaalsContact OD1-CE 3.27Å; D95-K100 WeakPolarHBondContact OD1-CE 3.45Å; D95-K100 WeakPolarHBondContact OD1-CG 3.32Å; D95-K100 IonicContact OD1-NZ 2.75Å; D95-K100 PolarHBondContact OD1-NZ 2.75Å; D95-K100 IonicContact OD2-NZ 3.19Å; D95-K100 PolarHBondContact OD2-NZ 2.75Å; K100-L175 HydrophobicContact CB-CB 4.36Å; K100-L175 HydrophobicContact CB-CD1 3.8Å; K100-L175 HydrophobicContact CB-CG 4.23Å; K100-L175 VanDerWaalsContact O-CB 3.27Å; K100-L175 WeakPolarHBondContact O-CB 3.18Å; K100-L175 WeakPolarHBondContact O-CG 3.26Å; K100-L175 PolarHBondContact O-N 2.76Å
101	T	91.4	Very high	90.3	Very high	13 Å²	13	63.9 Å²	63.9	8%	0.08	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.3	-179.5	-64.3	0	0	0	0	110.6	I93 R94 E96 Q172	I93-T101 WeakPolarHBondContact CA-O 3.44Å; R94-T101 PolarHBondContact N-O 2.87Å; R94-T101 PolarHBondContact O-N 3.48Å; E96-T101 WeakPolarHBondContact OE2-CB 3.32Å; E96-T101 PolarHBondContact OE2-OG1 2.91Å; T101-Q172 HydrophobicContact CG2-CB 4.1Å; T101-Q172 HydrophobicContact CG2-CG 4.24Å
102	L	92.6	Very high	91.1	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.4	165.8	176.7	66.5	0	0	0	108.8	L92 I93 L104 F148 L150 P151 Q172 A173 L175	L92-L102 HydrophobicContact CB-CD1 4.05Å; L92-L102 CarbonylContact O-C 3.49Å; L92-L102 WeakPolarHBondContact O-CA 3.32Å; I93-L102 HydrophobicContact CD1-CB 4.11Å; I93-L102 HydrophobicContact CD1-CD1 3.72Å; L102-L104 HydrophobicContact CD1-CD2 3.93Å; L102-L104 HydrophobicContact CD1-CG 4.26Å; L102-L104 HydrophobicContact CD2-CD1 4.33Å; L102-L104 HydrophobicContact CD2-CG 4.45Å; L102-L104 HydrophobicContact CG-CD2 4.39Å; L102-L104 HydrophobicContact CG-CG 4.17Å; L102-F148 HydrophobicContact CD1-CE1 4.45Å; L102-F148 HydrophobicContact CD1-CZ 4.31Å; L102-F148 HydrophobicContact CD2-CE1 3.85Å; L102-L150 HydrophobicContact CD2-CD2 4.16Å; L102-P151 HydrophobicContact CD2-CG 4.22Å; L102-Q172 CarbonylContact O-C 3.55Å; L102-Q172 VanDerWaalsContact O-CA 3.27Å; L102-Q172 WeakPolarHBondContact O-CA 3.25Å; L102-A173 WeakPolarHBondContact CB-O 3.41Å; L102-A173 PolarHBondContact N-O 2.89Å; L102-A173 PolarHBondContact O-N 3.33Å; L102-L175 HydrophobicContact CB-CD2 3.88Å
103	R	93.5	Very high	91.5	Very high	32 Å²	32	61.8 Å²	61.8	12%	0.121	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	108.3	179.5	-172	178.4	-60.9	-135.2	7.8	109.4	L92 E96 T170 V171 Q172	L92-R103 PolarHBondContact O-N 3.31Å; E96-R103 IonicContact OE1-CZ 2.76Å; E96-R103 IonicContact OE1-NH2 2.75Å; E96-R103 PolarHBondContact OE1-NH2 2.79Å; R103-T170 HydrophobicContact CG-CG2 3.77Å; R103-V171 WeakPolarHBondContact CA-O 3.33Å; R103-Q172 HydrophobicContact CB-CG 4.05Å; R103-Q172 HydrophobicContact CG-CG 3.74Å; R103-Q172 VanDerWaalsContact CZ-CD 3.4Å; R103-Q172 VanDerWaalsContact NH1-OE1 3.12Å
104	L	95.2	Very high	91.9	Very high	10 Å²	10	66.3 Å²	66.3	5%	0.052	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	150.3	178.2	-58.2	175.6	0	0	0	109.8	L92 L102 F106 L125 F148 T170 V171	L92-L104 HydrophobicContact CB-CD2 4.49Å; L92-L104 HydrophobicContact CD1-CD2 4.06Å; L92-L104 HydrophobicContact CD2-CD2 4.22Å; L92-L104 HydrophobicContact CG-CD2 4.49Å; L102-L104 HydrophobicContact CD1-CD2 3.93Å; L102-L104 HydrophobicContact CD1-CG 4.26Å; L102-L104 HydrophobicContact CD2-CD1 4.33Å; L102-L104 HydrophobicContact CD2-CG 4.45Å; L102-L104 HydrophobicContact CG-CD2 4.39Å; L102-L104 HydrophobicContact CG-CG 4.17Å; L104-F106 HydrophobicContact CB-CE2 3.67Å; L104-F106 HydrophobicContact CB-CZ 3.7Å; L104-F106 HydrophobicContact CD1-CZ 4.05Å; L104-F106 HydrophobicContact CG-CZ 4.49Å; L104-L125 HydrophobicContact CD1-CD2 3.74Å; L104-F148 HydrophobicContact CD1-CB 4.01Å; L104-F148 HydrophobicContact CD1-CD1 3.56Å; L104-F148 HydrophobicContact CD1-CD2 3.91Å; L104-F148 HydrophobicContact CD1-CE1 3.95Å; L104-F148 HydrophobicContact CD1-CE2 4.27Å; L104-F148 HydrophobicContact CD1-CG 3.54Å; L104-F148 HydrophobicContact CD1-CZ 4.29Å; L104-F148 HydrophobicContact CD2-CD2 3.95Å; L104-F148 HydrophobicContact CD2-CE1 4.3Å; L104-F148 HydrophobicContact CD2-CE2 3.64Å; L104-F148 HydrophobicContact CD2-CG 4.4Å; L104-F148 HydrophobicContact CD2-CZ 3.84Å; L104-T170 CarbonylContact O-C 3.42Å; L104-T170 WeakPolarHBondContact O-CA 3.48Å; L104-V171 PolarHBondContact N-O 2.74Å; L104-V171 PolarHBondContact O-N 2.87Å
105	R	94.7	Very high	92.4	Very high	87 Å²	87	64.8 Å²	64.8	33%	0.328	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.4	176.1	-76.8	-177.1	175.9	138.3	-5.4	111.2	E21 I168 L169 T170	E21-R105 IonicContact OE1-CZ 3.03Å; E21-R105 IonicContact OE1-NH1 3.98Å; E21-R105 PolarHBondContact OE1-NH1 3.06Å; E21-R105 IonicContact OE1-NH2 2.65Å; E21-R105 PolarHBondContact OE1-NH2 3.25Å; E21-R105 IonicContact OE2-CZ 3.85Å; E21-R105 IonicContact OE2-NH1 3.64Å; E21-R105 PolarHBondContact OE2-NH1 3.48Å; E21-R105 IonicContact OE2-NH2 3.02Å; R105-I168 HydrophobicContact CB-CG2 4Å; R105-I168 HydrophobicContact CG-CG2 4.01Å; R105-L169 CarbonylContact C-O 3.46Å; R105-L169 VanDerWaalsContact CA-O 3.32Å; R105-L169 WeakPolarHBondContact CA-O 3.27Å; R105-T170 HydrophobicContact CG-CG2 4.27Å; R105-T170 PolarHBondContact NE-OG1 3.47Å
106	F	96.6	Very high	93	Very high	15 Å²	15	60.3 Å²	60.3	7%	0.066	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.1	-179.6	-47.5	-87.4	0	0	0	108.4	L104 V108 L125 V127 Y144 Q146 L169 V171	L104-F106 HydrophobicContact CB-CE2 3.67Å; L104-F106 HydrophobicContact CB-CZ 3.7Å; L104-F106 HydrophobicContact CD1-CZ 4.05Å; L104-F106 HydrophobicContact CG-CZ 4.49Å; F106-V108 PolarHBondContact O-N 2.79Å; F106-L125 HydrophobicContact CE2-CD2 4.25Å; F106-L125 HydrophobicContact CZ-CD2 4.08Å; F106-V127 HydrophobicContact CD1-CG2 4.29Å; F106-V127 HydrophobicContact CD2-CG2 3.86Å; F106-V127 HydrophobicContact CE1-CG2 4.15Å; F106-V127 HydrophobicContact CE2-CG2 3.71Å; F106-V127 HydrophobicContact CG-CG1 4.42Å; F106-V127 HydrophobicContact CG-CG2 4.14Å; F106-V127 HydrophobicContact CZ-CG2 3.86Å; F106-Y144 HydrophobicContact CB-CE1 4.43Å; F106-Q146 HydrophobicContact CD1-CB 4.25Å; F106-Q146 HydrophobicContact CD1-CG 3.84Å; F106-Q146 HydrophobicContact CE1-CB 4.34Å; F106-Q146 HydrophobicContact CE1-CG 3.66Å; F106-L169 HydrophobicContact CB-CB 4.33Å; F106-L169 HydrophobicContact CB-CD2 4.46Å; F106-L169 HydrophobicContact CD2-CD2 3.95Å; F106-L169 HydrophobicContact CD2-CG 4.28Å; F106-L169 PolarHBondContact N-O 2.95Å; F106-L169 PolarHBondContact O-N 3.4Å; F106-V171 HydrophobicContact CD2-CG2 4.18Å; F106-V171 HydrophobicContact CE2-CB 4.2Å; F106-V171 HydrophobicContact CE2-CG2 3.75Å
107	D	96.4	Very high	93.8	Very high	90 Å²	90	59.6 Å²	59.6	48%	0.481	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	113.4	169.9	177.2	4.8	0	0	0	108.7	S109 I168	D107-S109 WeakPolarHBondContact OD1-CB 3.34Å; D107-S109 PolarHBondContact OD1-N 3.46Å; D107-S109 PolarHBondContact OD1-OG 2.85Å; D107-I168 HydrophobicContact CB-CD1 4.12Å
108	V	97.4	Very high	94.5	Very high	2 Å²	2	54 Å²	54	1%	0.012	28%	0.277	C	S	.	.			trans	-122.8	21.9	173.8	-62.9	0	0	0	0	111.2	F106 Q110 Y111 V116 Y144 L163 G167 L169	F106-V108 PolarHBondContact O-N 2.79Å; V108-Q110 PolarHBondContact O-N 2.87Å; V108-Y111 HydrophobicContact CB-CD2 4.24Å; V108-Y111 PolarHBondContact O-N 3.11Å; V108-V116 HydrophobicContact CB-CG2 4.05Å; V108-V116 HydrophobicContact CG1-CG1 4.48Å; V108-V116 HydrophobicContact CG1-CG2 4.49Å; V108-V116 HydrophobicContact CG2-CG2 4.01Å; V108-Y144 HydrophobicContact CG1-CD1 4.43Å; V108-Y144 HydrophobicContact CG1-CE1 4.48Å; V108-L163 HydrophobicContact CG2-CD1 3.68Å; V108-G167 CarbonylContact C-O 3.53Å; V108-G167 WeakPolarHBondContact CG2-O 3.45Å; V108-G167 PolarHBondContact N-O 3.39Å; V108-L169 HydrophobicContact CG2-CB 3.94Å
109	S	96.6	Very high	95.3	Very high	66 Å²	66	48.9 Å²	48.9	46%	0.462	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.1	-177.8	60.9	0	0	0	0	115.2	D107 G167	D107-S109 WeakPolarHBondContact OD1-CB 3.34Å; D107-S109 PolarHBondContact OD1-N 3.46Å; D107-S109 PolarHBondContact OD1-OG 2.85Å; S109-G167 PolarHBondContact N-O 2.77Å
110	Q	96.2	Very high	95.8	Very high	111 Å²	111	47.3 Å²	47.3	52%	0.519	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	1.9	177.1	-56.8	-172.4	33.4	0	0	114.1	V108	V108-Q110 PolarHBondContact O-N 2.87Å
111	Y	97.6	Very high	96.2	Very high	33 Å²	33	44.7 Å²	44.7	13%	0.129	22%	0.221	C	C	.	.	S	Bend	trans	-123.6	147.2	-175.8	-59.3	-87.7	0	0	0	110.5	V108 E115 A129 H131 R142 E143 Y144	V108-Y111 HydrophobicContact CB-CD2 4.24Å; V108-Y111 PolarHBondContact O-N 3.11Å; Y111-E115 WeakPolarHBondContact CA-OE2 3.34Å; Y111-A129 HydrophobicContact CD1-CB 3.61Å; Y111-A129 HydrophobicContact CD2-CB 3.84Å; Y111-A129 HydrophobicContact CE1-CB 3.99Å; Y111-A129 HydrophobicContact CE2-CB 4.19Å; Y111-A129 HydrophobicContact CG-CB 3.55Å; Y111-H131 HydrophobicContact CD1-CB 3.72Å; Y111-H131 HydrophobicContact CE1-CB 3.86Å; Y111-R142 HydrophobicContact CE1-CB 4.03Å; Y111-E143 PolarHBondContact OH-N 3.03Å; Y111-Y144 PolarHBondContact OH-N 2.92Å
112	K	95.8	Very high	96.1	Very high	98 Å²	98	48.9 Å²	48.9	43%	0.426	24%	0.243	S	C	.	.			trans	-70.9	151.8	169.8	-52.1	-170.8	-161.8	83.5	0	109.9	E114 E115	K112-E114 HydrophobicContact CB-CG 4.21Å; K112-E114 WeakPolarHBondContact CB-OE1 3.21Å; K112-E114 VanDerWaalsContact CD-OE1 3.23Å; K112-E114 WeakPolarHBondContact CD-OE1 3.47Å; K112-E114 PolarHBondContact O-N 3Å; K112-E114 VanDerWaalsContact O-N 3.11Å; K112-E115 HydrophobicContact CB-CB 4.44Å; K112-E115 HydrophobicContact CB-CG 3.99Å; K112-E115 HydrophobicContact CG-CG 4.41Å; K112-E115 PolarHBondContact N-OE2 2.81Å; K112-E115 IonicContact NZ-OE1 2.81Å; K112-E115 PolarHBondContact NZ-OE1 3.15Å; K112-E115 WeakPolarHBondContact O-CA 3.44Å; K112-E115 VanDerWaalsContact O-CB 3.32Å; K112-E115 WeakPolarHBondContact O-CB 3.39Å; K112-E115 PolarHBondContact O-N 3.03Å
113	P	96.1	Very high	96	Very high	47 Å²	47	51.7 Å²	51.7	31%	0.305	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-55.5	-32.7	179	-28.8	37.1	0	0	0	114.7	K12 E115 V116 L163	K12-P113 HydrophobicContact CD-CB 4.49Å; P113-E115 VanDerWaalsContact C-N 3.33Å; P113-V116 PolarHBondContact O-N 3.13Å; P113-L163 HydrophobicContact CB-CD2 3.74Å; P113-L163 HydrophobicContact CG-CD2 3.84Å
114	E	96.7	Very high	96.1	Very high	139 Å²	139	56 Å²	56	65%	0.65	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-77.5	-13.1	175.1	60.5	-85.9	-167.1	0	0	114.6	K112	K112-E114 HydrophobicContact CB-CG 4.21Å; K112-E114 WeakPolarHBondContact CB-OE1 3.21Å; K112-E114 VanDerWaalsContact CD-OE1 3.23Å; K112-E114 WeakPolarHBondContact CD-OE1 3.47Å; K112-E114 PolarHBondContact O-N 3Å; K112-E114 VanDerWaalsContact O-N 3.11Å
115	E	97.7	Very high	96.2	Very high	35 Å²	35	55.7 Å²	55.7	16%	0.164	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-85.7	-9.1	172.2	-66.8	169.8	176	0	0	112	Y111 K112 P113 A129 K130 H131	Y111-E115 WeakPolarHBondContact CA-OE2 3.34Å; K112-E115 HydrophobicContact CB-CB 4.44Å; K112-E115 HydrophobicContact CB-CG 3.99Å; K112-E115 HydrophobicContact CG-CG 4.41Å; K112-E115 PolarHBondContact N-OE2 2.81Å; K112-E115 IonicContact NZ-OE1 2.81Å; K112-E115 PolarHBondContact NZ-OE1 3.15Å; K112-E115 WeakPolarHBondContact O-CA 3.44Å; K112-E115 VanDerWaalsContact O-CB 3.32Å; K112-E115 WeakPolarHBondContact O-CB 3.39Å; K112-E115 PolarHBondContact O-N 3.03Å; P113-E115 VanDerWaalsContact C-N 3.33Å; E115-A129 CarbonylContact O-C 3.57Å; E115-A129 WeakPolarHBondContact O-CA 3.44Å; E115-K130 WeakPolarHBondContact CB-O 3.14Å; E115-K130 PolarHBondContact O-N 2.86Å; E115-H131 IonicContact OE1-CE1 2.74Å; E115-H131 IonicContact OE1-CG 2.89Å; E115-H131 IonicContact OE1-ND1 3.81Å; E115-H131 PolarHBondContact OE1-ND1 3.43Å; E115-H131 IonicContact OE2-CG 3.27Å; E115-H131 IonicContact OE2-ND1 3.87Å; E115-H131 PolarHBondContact OE2-ND1 2.66Å
116	V	98.4	Very high	96.4	Very high	12 Å²	12	53.3 Å²	53.3	7%	0.073	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	138.9	-178.4	-173.7	0	0	0	0	111.3	I10 V108 P113 H128 A129 L169	I10-V116 HydrophobicContact CD1-CB 4.04Å; I10-V116 HydrophobicContact CD1-CG1 3.79Å; V108-V116 HydrophobicContact CB-CG2 4.05Å; V108-V116 HydrophobicContact CG1-CG1 4.48Å; V108-V116 HydrophobicContact CG1-CG2 4.49Å; V108-V116 HydrophobicContact CG2-CG2 4.01Å; P113-V116 PolarHBondContact O-N 3.13Å; V116-H128 CarbonylContact C-O 3.54Å; V116-A129 HydrophobicContact CB-CB 4.37Å; V116-A129 HydrophobicContact CG2-CB 3.9Å; V116-L169 HydrophobicContact CG1-CD2 4.3Å
117	N	98	Very high	96.5	Very high	56 Å²	56	52.7 Å²	52.7	30%	0.299	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.8	178	-168.1	-59.6	0	0	0	110.3	H128	N117-H128 HydrophobicContact CB-CB 4.47Å; N117-H128 PolarHBondContact N-O 3.02Å; N117-H128 PolarHBondContact O-N 2.94Å
118	V	98.4	Very high	96.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.5	173.4	-173.1	0	0	0	0	108.4	I8 I10 L125 L126 V127 L169 V171	I8-V118 HydrophobicContact CB-CB 4.08Å; I8-V118 HydrophobicContact CB-CG1 3.84Å; I8-V118 HydrophobicContact CG1-CG1 4.08Å; I8-V118 HydrophobicContact CG2-CG1 4.37Å; I8-V118 PolarHBondContact N-O 3.3Å; I10-V118 HydrophobicContact CD1-CG2 4Å; I10-V118 HydrophobicContact CG1-CG2 4Å; V118-L125 HydrophobicContact CG1-CD1 3.67Å; V118-L126 WeakPolarHBondContact CA-O 3.27Å; V118-V127 HydrophobicContact CG2-CG2 4.44Å; V118-L169 HydrophobicContact CG2-CD1 4.09Å; V118-L169 HydrophobicContact CG2-CD2 3.55Å; V118-L169 HydrophobicContact CG2-CG 4.4Å; V118-V171 HydrophobicContact CG1-CG2 4.24Å
119	K	97.6	Very high	96.6	Very high	51 Å²	51	51.2 Å²	51.2	22%	0.222	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	160.7	173.5	60.6	167.6	171.9	176.2	0	112	E5 T6 V121 L126	E5-K119 HydrophobicContact CG-CD 3.82Å; E5-K119 WeakPolarHBondContact OE1-CD 3.38Å; E5-K119 IonicContact OE1-NZ 3.57Å; E5-K119 PolarHBondContact OE1-NZ 3.31Å; E5-K119 IonicContact OE2-NZ 3.58Å; E5-K119 PolarHBondContact OE2-NZ 3.17Å; T6-K119 CarbonylContact O-C 3.51Å; T6-K119 VanDerWaalsContact O-CA 3.22Å; T6-K119 WeakPolarHBondContact O-CA 3.36Å; T6-K119 WeakPolarHBondContact O-CB 3.42Å; K119-V121 HydrophobicContact CD-CG2 4.05Å; K119-V121 HydrophobicContact CG-CG2 4.47Å; K119-L126 HydrophobicContact CG-CB 4.09Å; K119-L126 PolarHBondContact N-O 2.85Å; K119-L126 PolarHBondContact O-N 2.91Å
120	T	97	Very high	96.7	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	149.3	161.5	57.1	0	0	0	0	110.7	E5 T6 I8 R124 L125 L150 P156 I159	E5-T120 WeakPolarHBondContact CA-O 3.44Å; T6-T120 WeakPolarHBondContact CB-OG1 3.48Å; T6-T120 PolarHBondContact N-O 2.91Å; T6-T120 PolarHBondContact N-OG1 3.32Å; T6-T120 PolarHBondContact O-N 2.91Å; T6-T120 PolarHBondContact O-OG1 2.9Å; I8-T120 HydrophobicContact CD1-CG2 4.46Å; T120-R124 CarbonylContact C-O 3.55Å; T120-R124 WeakPolarHBondContact CA-O 3.21Å; T120-L125 HydrophobicContact CG2-CD1 4.5Å; T120-L150 HydrophobicContact CG2-CD1 3.91Å; T120-P156 HydrophobicContact CG2-CB 4.21Å; T120-I159 HydrophobicContact CG2-CD1 3.56Å
121	V	95.4	Very high	96.8	Very high	30 Å²	30	47.6 Å²	47.6	18%	0.182	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	114.5	167.7	-178.6	0	0	0	0	107.7	T3 R4 K119 N123 R124 L126	T3-V121 HydrophobicContact CG2-CG1 3.48Å; T3-V121 VanDerWaalsContact CG2-CG1 3.48Å; R4-V121 WeakPolarHBondContact O-CA 3.49Å; K119-V121 HydrophobicContact CD-CG2 4.05Å; K119-V121 HydrophobicContact CG-CG2 4.47Å; V121-N123 PolarHBondContact O-N 3.19Å; V121-R124 PolarHBondContact N-O 2.92Å; V121-R124 PolarHBondContact O-N 2.86Å; V121-L126 HydrophobicContact CB-CD1 3.81Å; V121-L126 HydrophobicContact CB-CD2 4.45Å; V121-L126 HydrophobicContact CG2-CD1 3.84Å; V121-L126 HydrophobicContact CG2-CD2 3.8Å; V121-L126 HydrophobicContact CG2-CG 4.43Å
122	D	90.7	Very high	96.7	Very high	101 Å²	101	50.3 Å²	50.3	54%	0.54	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	-88.3	-172.6	-59.7	-38	0	0	0	114.3	T3 R4	T3-D122 WeakPolarHBondContact CA-OD1 3.27Å; R4-D122 PolarHBondContact N-OD1 2.81Å; R4-D122 PolarHBondContact O-N 2.81Å
123	N	90.7	Very high	96.7	Very high	66 Å²	66	50.3 Å²	50.3	35%	0.353	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	30.9	177.9	-165.2	105.9	0	0	0	111.1	V121 L150	V121-N123 PolarHBondContact O-N 3.19Å; N123-L150 PolarHBondContact ND2-O 3.33Å; N123-L150 PolarHBondContact O-N 2.96Å
124	R	95.3	Very high	96.7	Very high	123 Å²	123	55.2 Å²	55.2	46%	0.464	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.1	176	-54.4	-169.4	-168.1	175.5	3	110.3	T120 V121 L126 E147 F148	T120-R124 CarbonylContact C-O 3.55Å; T120-R124 WeakPolarHBondContact CA-O 3.21Å; V121-R124 PolarHBondContact N-O 2.92Å; V121-R124 PolarHBondContact O-N 2.86Å; R124-L126 HydrophobicContact CB-CD1 3.69Å; R124-E147 WeakPolarHBondContact CD-OE2 3.46Å; R124-E147 IonicContact CZ-OE2 2.79Å; R124-E147 IonicContact NE-OE2 3.54Å; R124-E147 IonicContact NH1-OE1 3.59Å; R124-E147 IonicContact NH1-OE2 3.48Å; R124-E147 PolarHBondContact NH1-OE2 3.05Å; R124-F148 CarbonylContact C-O 3.48Å; R124-F148 WeakPolarHBondContact CA-O 3.47Å
125	L	97.3	Very high	96.5	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132	160.1	-179.6	74.4	0	0	0	107.8	L104 F106 V118 T120 E147 F148 L150 V171	L104-L125 HydrophobicContact CD1-CD2 3.74Å; F106-L125 HydrophobicContact CE2-CD2 4.25Å; F106-L125 HydrophobicContact CZ-CD2 4.08Å; V118-L125 HydrophobicContact CG1-CD1 3.67Å; T120-L125 HydrophobicContact CG2-CD1 4.5Å; L125-E147 CarbonylContact O-C 3.51Å; L125-E147 WeakPolarHBondContact O-CA 3.27Å; L125-F148 HydrophobicContact CB-CB 4.38Å; L125-F148 PolarHBondContact N-O 2.86Å; L125-F148 PolarHBondContact O-N 2.82Å; L125-L150 HydrophobicContact CB-CD1 4.41Å; L125-L150 HydrophobicContact CB-CD2 4.08Å; L125-L150 HydrophobicContact CB-CG 4.19Å; L125-V171 HydrophobicContact CD1-CG1 4.12Å; L125-V171 HydrophobicContact CD2-CB 4.12Å; L125-V171 HydrophobicContact CD2-CG1 3.78Å; L125-V171 HydrophobicContact CD2-CG2 4.28Å
126	L	98.1	Very high	96.4	Very high	37 Å²	37	59.6 Å²	59.6	19%	0.194	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.7	175.2	-74.2	68	0	0	0	108.1	V118 K119 V121 R124 E147	V118-L126 WeakPolarHBondContact CA-O 3.27Å; K119-L126 HydrophobicContact CG-CB 4.09Å; K119-L126 PolarHBondContact N-O 2.85Å; K119-L126 PolarHBondContact O-N 2.91Å; V121-L126 HydrophobicContact CB-CD1 3.81Å; V121-L126 HydrophobicContact CB-CD2 4.45Å; V121-L126 HydrophobicContact CG2-CD1 3.84Å; V121-L126 HydrophobicContact CG2-CD2 3.8Å; V121-L126 HydrophobicContact CG2-CG 4.43Å; R124-L126 HydrophobicContact CB-CD1 3.69Å; L126-E147 HydrophobicContact CG-CG 4.22Å
127	V	98.5	Very high	96.3	Very high	2 Å²	2	68.4 Å²	68.4	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.1	167.8	179.5	0	0	0	0	107.7	F106 V118 Y144 Q146 L169	F106-V127 HydrophobicContact CD1-CG2 4.29Å; F106-V127 HydrophobicContact CD2-CG2 3.86Å; F106-V127 HydrophobicContact CE1-CG2 4.15Å; F106-V127 HydrophobicContact CE2-CG2 3.71Å; F106-V127 HydrophobicContact CG-CG1 4.42Å; F106-V127 HydrophobicContact CG-CG2 4.14Å; F106-V127 HydrophobicContact CZ-CG2 3.86Å; V118-V127 HydrophobicContact CG2-CG2 4.44Å; V127-Y144 HydrophobicContact CB-CE1 4.39Å; V127-Y144 HydrophobicContact CG1-CD1 4.21Å; V127-Y144 HydrophobicContact CG1-CE1 3.92Å; V127-Q146 PolarHBondContact N-O 2.93Å; V127-Q146 PolarHBondContact O-N 2.89Å; V127-L169 HydrophobicContact CB-CD2 4.47Å; V127-L169 HydrophobicContact CG1-CD2 3.59Å; V127-L169 HydrophobicContact CG2-CD2 3.98Å
128	H	98.5	Very high	96.1	Very high	61 Å²	61	74 Å²	74	28%	0.282	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.6	176.7	-176.1	-132.6	0	0	0	109.1	V116 N117 E143 Y144 N145	V116-H128 CarbonylContact C-O 3.54Å; N117-H128 HydrophobicContact CB-CB 4.47Å; N117-H128 PolarHBondContact N-O 3.02Å; N117-H128 PolarHBondContact O-N 2.94Å; H128-E143 IonicContact CD2-OE1 3.89Å; H128-E143 IonicContact CE1-OE1 2.74Å; H128-E143 IonicContact NE2-OE1 3Å; H128-E143 PolarHBondContact NE2-OE1 3.38Å; H128-Y144 CarbonylContact C-O 3.48Å; H128-Y144 WeakPolarHBondContact CA-O 3.49Å; H128-Y144 PolarHBondContact CD2-O 2.93Å; H128-Y144 VanDerWaalsContact CD2-O 3.32Å; H128-N145 PolarHBondContact CD2-OD1 2.77Å
129	A	98.5	Very high	96	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	137.2	165	0	0	0	0	0	110.4	Y111 E115 V116 E143 Y144	Y111-A129 HydrophobicContact CD1-CB 3.61Å; Y111-A129 HydrophobicContact CD2-CB 3.84Å; Y111-A129 HydrophobicContact CE1-CB 3.99Å; Y111-A129 HydrophobicContact CE2-CB 4.19Å; Y111-A129 HydrophobicContact CG-CB 3.55Å; E115-A129 CarbonylContact O-C 3.57Å; E115-A129 WeakPolarHBondContact O-CA 3.44Å; V116-A129 HydrophobicContact CB-CB 4.37Å; V116-A129 HydrophobicContact CG2-CB 3.9Å; A129-E143 CarbonylContact O-C 3.58Å; A129-E143 WeakPolarHBondContact O-CA 3.13Å; A129-Y144 PolarHBondContact N-O 2.66Å; A129-Y144 PolarHBondContact O-N 2.8Å
130	K	98.3	Very high	95.8	Very high	81 Å²	81	77 Å²	77	35%	0.352	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	118.9	-177	-169.9	-171.6	177.4	-138	0	111.8	E115 E132 E143	E115-K130 WeakPolarHBondContact CB-O 3.14Å; E115-K130 PolarHBondContact O-N 2.86Å; K130-E132 IonicContact NZ-OE2 3.68Å; K130-E132 PolarHBondContact NZ-OE2 2.91Å; K130-E143 HydrophobicContact CB-CG 4.18Å; K130-E143 HydrophobicContact CG-CG 4.12Å
131	H	98	Very high	95.8	Very high	20 Å²	20	82.4 Å²	82.4	9%	0.093	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.4	178.2	178.2	83.4	0	0	0	110.7	Y111 E115 F141 R142	Y111-H131 HydrophobicContact CD1-CB 3.72Å; Y111-H131 HydrophobicContact CE1-CB 3.86Å; E115-H131 IonicContact OE1-CE1 2.74Å; E115-H131 IonicContact OE1-CG 2.89Å; E115-H131 IonicContact OE1-ND1 3.81Å; E115-H131 PolarHBondContact OE1-ND1 3.43Å; E115-H131 IonicContact OE2-CG 3.27Å; E115-H131 IonicContact OE2-ND1 3.87Å; E115-H131 PolarHBondContact OE2-ND1 2.66Å; H131-F141 WeakPolarHBondContact O-CA 3.18Å; H131-R142 HydrophobicContact CB-CB 4.35Å; H131-R142 PolarHBondContact N-O 2.76Å; H131-R142 PolarHBondContact O-N 2.88Å
132	E	96.7	Very high	95.9	Very high	91 Å²	91	86.1 Å²	86.1	43%	0.425	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	112.3	176.7	-167.9	176.7	147.2	0	0	110.1	K130 K134 V140 F141	K130-E132 IonicContact NZ-OE2 3.68Å; K130-E132 PolarHBondContact NZ-OE2 2.91Å; E132-K134 WeakPolarHBondContact OE1-CE 3.37Å; E132-K134 IonicContact OE1-NZ 3.85Å; E132-K134 PolarHBondContact OE1-NZ 2.78Å; E132-V140 WeakPolarHBondContact CA-O 2.97Å; E132-F141 HydrophobicContact CG-CD2 4.27Å
133	E	95.1	Very high	96.2	Very high	98 Å²	98	85.3 Å²	85.3	46%	0.458	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.9	177.6	-169.2	-166	114	0	0	109.9	S139 V140	E133-S139 CarbonylContact O-C 3.59Å; E133-S139 VanDerWaalsContact O-CA 3.31Å; E133-S139 WeakPolarHBondContact O-CA 3.34Å; E133-V140 HydrophobicContact CB-CB 4.2Å; E133-V140 PolarHBondContact N-O 2.88Å; E133-V140 PolarHBondContact O-N 3.43Å
134	K	95.1	Very high	96.6	Very high	149 Å²	149	84.7 Å²	84.7	65%	0.648	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	120.7	179.1	-78.8	166.2	172.8	158.3	0	110.4	E132	E132-K134 WeakPolarHBondContact OE1-CE 3.37Å; E132-K134 IonicContact OE1-NZ 3.85Å; E132-K134 PolarHBondContact OE1-NZ 2.78Å
135	S	93.2	Very high	96.7	Very high	62 Å²	62	84 Å²	84	43%	0.434	40%	0.396	S	S	.	.			trans	-125.1	171.6	173.6	74	0	0	0	0	110.3	Q137 R138	S135-Q137 PolarHBondContact O-N 2.7Å; S135-R138 PolarHBondContact N-O 2.71Å; S135-R138 PolarHBondContact OG-N 3.21Å; S135-R138 PolarHBondContact OG-O 2.95Å
136	Q	95.2	Very high	96.7	Very high	205 Å²	205	88.1 Å²	88.1	96%	0.958	42%	0.415	S	S	*	.	S	Bend	trans	-61.9	-23.8	-179.5	-63.2	-176.7	6.6	0	0	114.3
137	Q	95.9	Very high	96.6	Very high	197 Å²	197	90.9 Å²	90.9	92%	0.921	43%	0.427	S	S	*	.	S	Bend	trans	-118.4	-14.7	-174.3	-66.1	-178.1	-13.5	0	0	113.8	S135	S135-Q137 PolarHBondContact O-N 2.7Å
138	R	94.8	Very high	96.5	Very high	172 Å²	172	93.6 Å²	93.6	65%	0.649	44%	0.439	S	S	*	.			trans	-148.2	134.6	-174.1	179.5	-178.1	-68.7	-177.6	-2.2	110.4	S135 V140	S135-R138 PolarHBondContact N-O 2.71Å; S135-R138 PolarHBondContact OG-N 3.21Å; S135-R138 PolarHBondContact OG-O 2.95Å; R138-V140 HydrophobicContact CG-CG2 3.95Å
139	S	95.5	Very high	96.2	Very high	87 Å²	87	97.7 Å²	97.7	61%	0.608	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	142.9	158	-60.9	0	0	0	0	109	E133	E133-S139 CarbonylContact O-C 3.59Å; E133-S139 VanDerWaalsContact O-CA 3.31Å; E133-S139 WeakPolarHBondContact O-CA 3.34Å
140	V	94.7	Very high	95.9	Very high	27 Å²	27	98.4 Å²	98.4	16%	0.164	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.1	171.9	-174.5	0	0	0	0	107.6	E132 E133 R138 R142	E132-V140 WeakPolarHBondContact CA-O 2.97Å; E133-V140 HydrophobicContact CB-CB 4.2Å; E133-V140 PolarHBondContact N-O 2.88Å; E133-V140 PolarHBondContact O-N 3.43Å; R138-V140 HydrophobicContact CG-CG2 3.95Å; V140-R142 HydrophobicContact CG1-CG 4.2Å
141	F	96.8	Very high	95.5	Very high	119 Å²	119	96.4 Å²	96.4	52%	0.522	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.3	171	-176.8	-81.9	0	0	0	107.6	H131 E132 E143	H131-F141 WeakPolarHBondContact O-CA 3.18Å; E132-F141 HydrophobicContact CG-CD2 4.27Å; F141-E143 HydrophobicContact CE1-CB 3.97Å; F141-E143 HydrophobicContact CZ-CB 4.43Å; F141-E143 WeakPolarHBondContact CZ-OE2 3.32Å
142	R	96.7	Very high	95	Very high	108 Å²	108	106.5 Å²	106.5	41%	0.408	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.6	171.7	-54.8	-175.9	-163.9	172.8	14.3	108.6	Y111 H131 V140	Y111-R142 HydrophobicContact CE1-CB 4.03Å; H131-R142 HydrophobicContact CB-CB 4.35Å; H131-R142 PolarHBondContact N-O 2.76Å; H131-R142 PolarHBondContact O-N 2.88Å; V140-R142 HydrophobicContact CG1-CG 4.2Å
143	E	98	Very high	94.5	Very high	84 Å²	84	104.9 Å²	104.9	39%	0.393	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	135.7	176.2	-159.1	176.9	140.8	0	0	110.1	Y111 H128 A129 K130 F141 N145	Y111-E143 PolarHBondContact OH-N 3.03Å; H128-E143 IonicContact CD2-OE1 3.89Å; H128-E143 IonicContact CE1-OE1 2.74Å; H128-E143 IonicContact NE2-OE1 3Å; H128-E143 PolarHBondContact NE2-OE1 3.38Å; A129-E143 CarbonylContact O-C 3.58Å; A129-E143 WeakPolarHBondContact O-CA 3.13Å; K130-E143 HydrophobicContact CB-CG 4.18Å; K130-E143 HydrophobicContact CG-CG 4.12Å; F141-E143 HydrophobicContact CE1-CB 3.97Å; F141-E143 HydrophobicContact CZ-CB 4.43Å; F141-E143 WeakPolarHBondContact CZ-OE2 3.32Å; E143-N145 PolarHBondContact OE1-ND2 2.85Å
144	Y	98.2	Very high	94.2	Very high	54 Å²	54	101 Å²	101	21%	0.212	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.3	177.7	-178.8	-93.1	0	0	0	108.3	F106 V108 Y111 V127 H128 A129 Q146	F106-Y144 HydrophobicContact CB-CE1 4.43Å; V108-Y144 HydrophobicContact CG1-CD1 4.43Å; V108-Y144 HydrophobicContact CG1-CE1 4.48Å; Y111-Y144 PolarHBondContact OH-N 2.92Å; V127-Y144 HydrophobicContact CB-CE1 4.39Å; V127-Y144 HydrophobicContact CG1-CD1 4.21Å; V127-Y144 HydrophobicContact CG1-CE1 3.92Å; H128-Y144 CarbonylContact C-O 3.48Å; H128-Y144 WeakPolarHBondContact CA-O 3.49Å; H128-Y144 PolarHBondContact CD2-O 2.93Å; H128-Y144 VanDerWaalsContact CD2-O 3.32Å; A129-Y144 PolarHBondContact N-O 2.66Å; A129-Y144 PolarHBondContact O-N 2.8Å; Y144-Q146 HydrophobicContact CD1-CB 4.43Å; Y144-Q146 HydrophobicContact CE1-CB 3.54Å
145	N	97.6	Very high	94.1	Very high	108 Å²	108	97.6 Å²	97.6	58%	0.578	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	115.7	176.5	-79.7	-85	0	0	0	107.7	H128 E143	H128-N145 PolarHBondContact CD2-OD1 2.77Å; E143-N145 PolarHBondContact OE1-ND2 2.85Å
146	Q	97.6	Very high	94	Very high	88 Å²	88	96.3 Å²	96.3	41%	0.411	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	119.8	175.7	-173.2	62.5	62.9	0	0	110.1	F106 V127 Y144	F106-Q146 HydrophobicContact CD1-CB 4.25Å; F106-Q146 HydrophobicContact CD1-CG 3.84Å; F106-Q146 HydrophobicContact CE1-CB 4.34Å; F106-Q146 HydrophobicContact CE1-CG 3.66Å; V127-Q146 PolarHBondContact N-O 2.93Å; V127-Q146 PolarHBondContact O-N 2.89Å; Y144-Q146 HydrophobicContact CD1-CB 4.43Å; Y144-Q146 HydrophobicContact CE1-CB 3.54Å
147	E	96.7	Very high	94	Very high	95 Å²	95	93.1 Å²	93.1	44%	0.444	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	148.7	170.6	-59.4	-163.5	-155.3	0	0	110.8	R124 L125 L126	R124-E147 WeakPolarHBondContact CD-OE2 3.46Å; R124-E147 IonicContact CZ-OE2 2.79Å; R124-E147 IonicContact NE-OE2 3.54Å; R124-E147 IonicContact NH1-OE1 3.59Å; R124-E147 IonicContact NH1-OE2 3.48Å; R124-E147 PolarHBondContact NH1-OE2 3.05Å; L125-E147 CarbonylContact O-C 3.51Å; L125-E147 WeakPolarHBondContact O-CA 3.27Å; L126-E147 HydrophobicContact CG-CG 4.22Å
148	F	95.1	Very high	93.9	Very high	60 Å²	60	88.3 Å²	88.3	26%	0.263	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	129.4	169.9	-174.3	-86.1	0	0	0	110	L92 L102 L104 R124 L125 L150	L92-F148 HydrophobicContact CD1-CE2 4.15Å; L92-F148 HydrophobicContact CD1-CZ 4.39Å; L102-F148 HydrophobicContact CD1-CE1 4.45Å; L102-F148 HydrophobicContact CD1-CZ 4.31Å; L102-F148 HydrophobicContact CD2-CE1 3.85Å; L104-F148 HydrophobicContact CD1-CB 4.01Å; L104-F148 HydrophobicContact CD1-CD1 3.56Å; L104-F148 HydrophobicContact CD1-CD2 3.91Å; L104-F148 HydrophobicContact CD1-CE1 3.95Å; L104-F148 HydrophobicContact CD1-CE2 4.27Å; L104-F148 HydrophobicContact CD1-CG 3.54Å; L104-F148 HydrophobicContact CD1-CZ 4.29Å; L104-F148 HydrophobicContact CD2-CD2 3.95Å; L104-F148 HydrophobicContact CD2-CE1 4.3Å; L104-F148 HydrophobicContact CD2-CE2 3.64Å; L104-F148 HydrophobicContact CD2-CG 4.4Å; L104-F148 HydrophobicContact CD2-CZ 3.84Å; R124-F148 CarbonylContact C-O 3.48Å; R124-F148 WeakPolarHBondContact CA-O 3.47Å; L125-F148 HydrophobicContact CB-CB 4.38Å; L125-F148 PolarHBondContact N-O 2.86Å; L125-F148 PolarHBondContact O-N 2.82Å; F148-L150 HydrophobicContact CD1-CD2 4.39Å; F148-L150 PolarHBondContact O-N 2.87Å
149	M	93.6	Very high	94	Very high	147 Å²	147	80.5 Å²	80.5	72%	0.724	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	114.7	175.3	-73	-178.5	60.8	0	0	110
150	L	92	Very high	94	Very high	14 Å²	14	79.6 Å²	79.6	7%	0.073	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-69.7	151.2	-179.7	-69.5	171.8	0	0	0	111.5	L102 T120 N123 L125 F148 T154 I159	L102-L150 HydrophobicContact CD2-CD2 4.16Å; T120-L150 HydrophobicContact CG2-CD1 3.91Å; N123-L150 PolarHBondContact ND2-O 3.33Å; N123-L150 PolarHBondContact O-N 2.96Å; L125-L150 HydrophobicContact CB-CD1 4.41Å; L125-L150 HydrophobicContact CB-CD2 4.08Å; L125-L150 HydrophobicContact CB-CG 4.19Å; F148-L150 HydrophobicContact CD1-CD2 4.39Å; F148-L150 PolarHBondContact O-N 2.87Å; L150-T154 HydrophobicContact CD1-CG2 4.25Å; L150-T154 HydrophobicContact CD2-CG2 4.34Å; L150-I159 HydrophobicContact CD1-CD1 3.78Å; L150-I159 HydrophobicContact CD2-CD1 4.41Å
151	P	89.7	Confident	94.2	Very high	40 Å²	40	78.4 Å²	78.4	26%	0.26	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-52.2	142.3	166.5	-25.4	34.6	0	0	0	111.7	L102 G153 T154 L175	L102-P151 HydrophobicContact CD2-CG 4.22Å; P151-G153 PolarHBondContact O-N 2.64Å; P151-T154 PolarHBondContact O-N 3.15Å; P151-T154 VanDerWaalsContact O-N 3.1Å; P151-T154 PolarHBondContact O-OG1 2.93Å; P151-L175 HydrophobicContact CB-CD2 4.24Å; P151-L175 HydrophobicContact CG-CD2 3.63Å
152	R	86.5	Confident	94.2	Very high	231 Å²	231	74 Å²	74	87%	0.872	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	120.5	176.4	-67.9	179	-178.2	-109.6	3.3	109	P176	R152-P176 WeakPolarHBondContact O-CG 3.48Å
153	G	86.2	Confident	94.2	Very high	58 Å²	58	69.4 Å²	69.4	60%	0.598	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	8.1	-178.5	0	0	0	0	0	115.2	P151 D155	P151-G153 PolarHBondContact O-N 2.64Å; G153-D155 PolarHBondContact O-N 2.86Å
154	T	90.1	Very high	94.2	Very high	17 Å²	17	65.8 Å²	65.8	10%	0.104	34%	0.337	C	S	.	.			trans	-62.4	125.8	161.4	-69.3	0	0	0	0	109.7	L150 P151 I159 A173	L150-T154 HydrophobicContact CD1-CG2 4.25Å; L150-T154 HydrophobicContact CD2-CG2 4.34Å; P151-T154 PolarHBondContact O-N 3.15Å; P151-T154 VanDerWaalsContact O-N 3.1Å; P151-T154 PolarHBondContact O-OG1 2.93Å; T154-I159 HydrophobicContact CG2-CD1 3.98Å; T154-I159 HydrophobicContact CG2-CG1 4.18Å; T154-A173 HydrophobicContact CG2-CB 3.87Å
155	D	91.3	Very high	94	Very high	76 Å²	76	67.3 Å²	67.3	41%	0.406	35%	0.352	S	S	.	.			trans	-81.1	120.7	174.5	-172.1	-17.2	0	0	0	110.4	G153 E157 L158 I159	G153-D155 PolarHBondContact O-N 2.86Å; D155-E157 PolarHBondContact O-N 2.68Å; D155-E157 PolarHBondContact OD1-N 3.34Å; D155-L158 HydrophobicContact CB-CB 4.32Å; D155-L158 HydrophobicContact CB-CD1 4.01Å; D155-L158 HydrophobicContact CB-CG 3.98Å; D155-L158 PolarHBondContact O-N 2.85Å; D155-I159 WeakPolarHBondContact O-CG1 3.34Å
156	P	92.9	Very high	93.8	Very high	36 Å²	36	63.9 Å²	63.9	23%	0.234	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-55.9	-33.1	175.3	-27.1	36.8	0	0	0	114.7	T6 T120 L158 I159	T6-P156 HydrophobicContact CG2-CB 4.46Å; T120-P156 HydrophobicContact CG2-CB 4.21Å; P156-L158 PolarHBondContact O-N 2.88Å; P156-I159 WeakPolarHBondContact O-CB 3.47Å; P156-I159 PolarHBondContact O-N 3.36Å
157	E	93.7	Very high	93.7	Very high	137 Å²	137	60.3 Å²	60.3	64%	0.64	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-76.7	-15.2	-175.4	-53.8	-58.2	125.5	0	0	112.2	T6 D155	T6-E157 VanDerWaalsContact CG2-OE1 3.25Å; T6-E157 WeakPolarHBondContact CG2-OE1 3.16Å; T6-E157 PolarHBondContact OG1-OE1 3.06Å; T6-E157 VanDerWaalsContact OG1-OE1 3.11Å; D155-E157 PolarHBondContact O-N 2.68Å; D155-E157 PolarHBondContact OD1-N 3.34Å
158	L	94.1	Very high	93.8	Very high	96 Å²	96	57.1 Å²	57.1	50%	0.503	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-93.8	0.5	173	-57.9	-177.5	0	0	0	113.1	D155 P156 P174	D155-L158 HydrophobicContact CB-CB 4.32Å; D155-L158 HydrophobicContact CB-CD1 4.01Å; D155-L158 HydrophobicContact CB-CG 3.98Å; D155-L158 PolarHBondContact O-N 2.85Å; P156-L158 PolarHBondContact O-N 2.88Å; L158-P174 HydrophobicContact CB-CG 4.09Å; L158-P174 HydrophobicContact CD1-CG 4.41Å; L158-P174 WeakPolarHBondContact O-CD 2.92Å
159	I	96.1	Very high	93.9	Very high	8 Å²	8	54.2 Å²	54.2	4%	0.041	29%	0.293	C	S	.	.			trans	-80.9	125.8	177.1	-53.2	-173.2	0	0	0	109.6	I8 T120 L150 T154 D155 P156 V171 Q172 A173	I8-I159 HydrophobicContact CD1-CB 3.9Å; I8-I159 HydrophobicContact CD1-CG2 4.26Å; I8-I159 HydrophobicContact CG1-CB 4.34Å; I8-I159 HydrophobicContact CG1-CG2 4.13Å; I8-I159 HydrophobicContact CG2-CG2 4.18Å; T120-I159 HydrophobicContact CG2-CD1 3.56Å; L150-I159 HydrophobicContact CD1-CD1 3.78Å; L150-I159 HydrophobicContact CD2-CD1 4.41Å; T154-I159 HydrophobicContact CG2-CD1 3.98Å; T154-I159 HydrophobicContact CG2-CG1 4.18Å; D155-I159 WeakPolarHBondContact O-CG1 3.34Å; P156-I159 WeakPolarHBondContact O-CB 3.47Å; P156-I159 PolarHBondContact O-N 3.36Å; I159-V171 HydrophobicContact CG2-CG1 3.56Å; I159-Q172 CarbonylContact C-O 3.56Å; I159-Q172 WeakPolarHBondContact CA-O 3.26Å; I159-A173 HydrophobicContact CD1-CB 4.37Å; I159-A173 HydrophobicContact CG1-CB 3.86Å
160	T	97.1	Very high	94	Very high	69 Å²	69	47.3 Å²	47.3	42%	0.423	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	152.3	176.4	54.9	0	0	0	0	110.2	V171 Q172	T160-V171 WeakPolarHBondContact O-CA 3.43Å; T160-Q172 PolarHBondContact N-O 3.11Å; T160-Q172 PolarHBondContact O-N 2.95Å
161	S	97.5	Very high	94.3	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.014	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	139.5	172	74.5	0	0	0	0	112.5	P9 I10 Q11 T170	P9-S161 PolarHBondContact O-OG 2.74Å; I10-S161 WeakPolarHBondContact CA-OG 3.22Å; Q11-S161 PolarHBondContact N-O 2.67Å; S161-T170 WeakPolarHBondContact CA-O 3.3Å
162	T	97.2	Very high	94.6	Very high	27 Å²	27	46.8 Å²	46.8	17%	0.166	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.1	179.1	51.4	0	0	0	0	109.7	Q11 L169 T170	Q11-T162 HydrophobicContact CB-CG2 4.18Å; Q11-T162 CarbonylContact O-C 3.6Å; Q11-T162 VanDerWaalsContact O-CA 3.26Å; Q11-T162 WeakPolarHBondContact O-CA 3.45Å; T162-L169 CarbonylContact O-C 3.52Å; T162-L169 WeakPolarHBondContact O-CA 3.25Å; T162-T170 PolarHBondContact N-O 2.87Å; T162-T170 PolarHBondContact O-N 2.99Å; T162-T170 PolarHBondContact OG1-O 3.38Å
163	L	97.7	Very high	94.9	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.058	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.6	173.4	-178.9	62.9	0	0	0	108.8	I10 Q11 S13 V108 P113 L169	I10-L163 HydrophobicContact CG2-CB 3.66Å; Q11-L163 PolarHBondContact O-N 2.83Å; S13-L163 PolarHBondContact N-O 3.34Å; S13-L163 PolarHBondContact OG-O 3.38Å; V108-L163 HydrophobicContact CG2-CD1 3.68Å; P113-L163 HydrophobicContact CB-CD2 3.74Å; P113-L163 HydrophobicContact CG-CD2 3.84Å; L163-L169 HydrophobicContact CD1-CB 4.22Å
164	S	96.5	Very high	95.2	Very high	8 Å²	8	35.7 Å²	35.7	6%	0.056	20%	0.201	C	C	.	.			trans	-90.2	170	-179.3	57.8	0	0	0	0	112.8	Y15 V17 D166 G167 I168	Y15-S164 VanDerWaalsContact O-CB 3.25Å; Y15-S164 WeakPolarHBondContact O-CB 3.31Å; V17-S164 WeakPolarHBondContact CG2-OG 3.14Å; S164-D166 VanDerWaalsContact C-N 3.3Å; S164-D166 WeakPolarHBondContact CB-OD1 3.25Å; S164-D166 PolarHBondContact O-N 3.29Å; S164-D166 PolarHBondContact OG-OD1 3.21Å; S164-G167 PolarHBondContact O-N 3.1Å; S164-I168 PolarHBondContact N-O 2.87Å; S164-I168 WeakPolarHBondContact OG-CB 3.4Å; S164-I168 PolarHBondContact OG-N 2.91Å; S164-I168 VanDerWaalsContact OG-N 3.09Å; S164-I168 PolarHBondContact OG-O 3.49Å; S164-I168 VanDerWaalsContact OG-O 3.09Å
165	V	94.4	Very high	95.1	Very high	86 Å²	86	36.7 Å²	36.7	52%	0.521	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-31.4	-178.8	-175.1	0	0	0	0	112.2	S13 D14 Y15 G167	S13-V165 WeakPolarHBondContact O-CG2 3.32Å; D14-V165 VanDerWaalsContact C-CG2 3.46Å; Y15-V165 PolarHBondContact O-N 3.48Å; V165-G167 PolarHBondContact O-N 2.85Å
166	D	94	Very high	94.5	Very high	36 Å²	36	35.4 Å²	35.4	19%	0.193	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	7.4	171.6	51.8	-0.9	0	0	0	114	V17 V18 S164 I168	V17-D166 VanDerWaalsContact N-CG 3.34Å; V17-D166 PolarHBondContact N-OD1 2.74Å; V17-D166 VanDerWaalsContact N-OD1 3.12Å; V17-D166 PolarHBondContact N-OD2 3.39Å; V18-D166 PolarHBondContact N-OD2 3.17Å; S164-D166 VanDerWaalsContact C-N 3.3Å; S164-D166 WeakPolarHBondContact CB-OD1 3.25Å; S164-D166 PolarHBondContact O-N 3.29Å; S164-D166 PolarHBondContact OG-OD1 3.21Å; D166-I168 PolarHBondContact O-N 3.25Å
167	G	96.1	Very high	93.3	Very high	12 Å²	12	38.3 Å²	38.3	12%	0.124	23%	0.228	C	C	.	.			trans	76.5	19.8	172.9	0	0	0	0	0	114.7	V108 S109 S164 V165	V108-G167 CarbonylContact C-O 3.53Å; V108-G167 WeakPolarHBondContact CG2-O 3.45Å; V108-G167 PolarHBondContact N-O 3.39Å; S109-G167 PolarHBondContact N-O 2.77Å; S164-G167 PolarHBondContact O-N 3.1Å; V165-G167 PolarHBondContact O-N 2.85Å
168	I	97	Very high	91.7	Very high	28 Å²	28	39 Å²	39	14%	0.144	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	107.4	177.5	-51.1	-56.5	0	0	0	109.6	V17 R105 D107 S164 D166 T170	V17-I168 HydrophobicContact CB-CB 4.05Å; V17-I168 HydrophobicContact CB-CG1 4.19Å; V17-I168 HydrophobicContact CB-CG2 4.36Å; V17-I168 HydrophobicContact CG1-CB 4.27Å; V17-I168 HydrophobicContact CG1-CG1 4.4Å; V17-I168 HydrophobicContact CG1-CG2 4.06Å; V17-I168 HydrophobicContact CG2-CB 4.1Å; V17-I168 HydrophobicContact CG2-CG2 4.38Å; R105-I168 HydrophobicContact CB-CG2 4Å; R105-I168 HydrophobicContact CG-CG2 4.01Å; D107-I168 HydrophobicContact CB-CD1 4.12Å; S164-I168 PolarHBondContact N-O 2.87Å; S164-I168 WeakPolarHBondContact OG-CB 3.4Å; S164-I168 PolarHBondContact OG-N 2.91Å; S164-I168 VanDerWaalsContact OG-N 3.09Å; S164-I168 PolarHBondContact OG-O 3.49Å; S164-I168 VanDerWaalsContact OG-O 3.09Å; D166-I168 PolarHBondContact O-N 3.25Å; I168-T170 PolarHBondContact O-N 3.04Å
169	L	97.8	Very high	89.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	111.4	170.7	176.1	73.4	0	0	0	108.8	I10 R105 F106 V108 V116 V118 V127 T162 L163 V171	I10-L169 HydrophobicContact CD1-CD1 4.45Å; I10-L169 HydrophobicContact CG1-CD1 4.38Å; I10-L169 HydrophobicContact CG2-CD1 4.02Å; R105-L169 CarbonylContact C-O 3.46Å; R105-L169 VanDerWaalsContact CA-O 3.32Å; R105-L169 WeakPolarHBondContact CA-O 3.27Å; F106-L169 HydrophobicContact CB-CB 4.33Å; F106-L169 HydrophobicContact CB-CD2 4.46Å; F106-L169 HydrophobicContact CD2-CD2 3.95Å; F106-L169 HydrophobicContact CD2-CG 4.28Å; F106-L169 PolarHBondContact N-O 2.95Å; F106-L169 PolarHBondContact O-N 3.4Å; V108-L169 HydrophobicContact CG2-CB 3.94Å; V116-L169 HydrophobicContact CG1-CD2 4.3Å; V118-L169 HydrophobicContact CG2-CD1 4.09Å; V118-L169 HydrophobicContact CG2-CD2 3.55Å; V118-L169 HydrophobicContact CG2-CG 4.4Å; V127-L169 HydrophobicContact CB-CD2 4.47Å; V127-L169 HydrophobicContact CG1-CD2 3.59Å; V127-L169 HydrophobicContact CG2-CD2 3.98Å; T162-L169 CarbonylContact O-C 3.52Å; T162-L169 WeakPolarHBondContact O-CA 3.25Å; L163-L169 HydrophobicContact CD1-CB 4.22Å; L169-V171 HydrophobicContact CD2-CG2 4.14Å; L169-V171 HydrophobicContact CG-CG2 4.05Å
170	T	96.5	Very high	87.1	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117.9	170.7	-58.7	0	0	0	0	109.5	R103 L104 R105 S161 T162 I168 Q172	R103-T170 HydrophobicContact CG-CG2 3.77Å; L104-T170 CarbonylContact O-C 3.42Å; L104-T170 WeakPolarHBondContact O-CA 3.48Å; R105-T170 HydrophobicContact CG-CG2 4.27Å; R105-T170 PolarHBondContact NE-OG1 3.47Å; S161-T170 WeakPolarHBondContact CA-O 3.3Å; T162-T170 PolarHBondContact N-O 2.87Å; T162-T170 PolarHBondContact O-N 2.99Å; T162-T170 PolarHBondContact OG1-O 3.38Å; I168-T170 PolarHBondContact O-N 3.04Å; T170-Q172 HydrophobicContact CG2-CG 4.35Å
171	V	97.5	Very high	84.7	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.03	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.9	174	-175.3	0	0	0	0	109	R103 L104 F106 V118 L125 I159 T160 L169	R103-V171 WeakPolarHBondContact CA-O 3.33Å; L104-V171 PolarHBondContact N-O 2.74Å; L104-V171 PolarHBondContact O-N 2.87Å; F106-V171 HydrophobicContact CD2-CG2 4.18Å; F106-V171 HydrophobicContact CE2-CB 4.2Å; F106-V171 HydrophobicContact CE2-CG2 3.75Å; V118-V171 HydrophobicContact CG1-CG2 4.24Å; L125-V171 HydrophobicContact CD1-CG1 4.12Å; L125-V171 HydrophobicContact CD2-CB 4.12Å; L125-V171 HydrophobicContact CD2-CG1 3.78Å; L125-V171 HydrophobicContact CD2-CG2 4.28Å; I159-V171 HydrophobicContact CG2-CG1 3.56Å; T160-V171 WeakPolarHBondContact O-CA 3.43Å; L169-V171 HydrophobicContact CD2-CG2 4.14Å; L169-V171 HydrophobicContact CG-CG2 4.05Å
172	Q	95.9	Very high	82.3	Confident	38 Å²	38	53.7 Å²	53.7	18%	0.178	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.9	179.6	-78.2	-176.4	-125.9	0	0	111.8	T101 L102 R103 I159 T160 T170	T101-Q172 HydrophobicContact CG2-CB 4.1Å; T101-Q172 HydrophobicContact CG2-CG 4.24Å; L102-Q172 CarbonylContact O-C 3.55Å; L102-Q172 VanDerWaalsContact O-CA 3.27Å; L102-Q172 WeakPolarHBondContact O-CA 3.25Å; R103-Q172 HydrophobicContact CB-CG 4.05Å; R103-Q172 HydrophobicContact CG-CG 3.74Å; R103-Q172 VanDerWaalsContact CZ-CD 3.4Å; R103-Q172 VanDerWaalsContact NH1-OE1 3.12Å; I159-Q172 CarbonylContact C-O 3.56Å; I159-Q172 WeakPolarHBondContact CA-O 3.26Å; T160-Q172 PolarHBondContact N-O 3.11Å; T160-Q172 PolarHBondContact O-N 2.95Å; T170-Q172 HydrophobicContact CG2-CG 4.35Å
173	A	94	Very high	80.1	Confident	3 Å²	3	58.1 Å²	58.1	3%	0.025	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	128.2	175.7	0	0	0	0	0	109.6	L102 T154 I159 L175	L102-A173 WeakPolarHBondContact CB-O 3.41Å; L102-A173 PolarHBondContact N-O 2.89Å; L102-A173 PolarHBondContact O-N 3.33Å; T154-A173 HydrophobicContact CG2-CB 3.87Å; I159-A173 HydrophobicContact CD1-CB 4.37Å; I159-A173 HydrophobicContact CG1-CB 3.86Å; A173-L175 PolarHBondContact O-N 2.85Å
174	P	92.3	Very high	77.8	Confident	54 Å²	54	62.7 Å²	62.7	35%	0.351	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	134.4	168.6	-25.2	35.6	0	0	0	110.3	L158	L158-P174 HydrophobicContact CB-CG 4.09Å; L158-P174 HydrophobicContact CD1-CG 4.41Å; L158-P174 WeakPolarHBondContact O-CD 2.92Å
175	L	88.5	Confident	75.3	Confident	38 Å²	38	65.1 Å²	65.1	20%	0.199	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-70.8	139.3	165	-64.8	-171	0	0	0	108.2	I93 K100 L102 P151 A173 A177	I93-L175 HydrophobicContact CD1-CD1 3.88Å; I93-L175 HydrophobicContact CD1-CD2 4.1Å; I93-L175 HydrophobicContact CD1-CG 4.28Å; I93-L175 HydrophobicContact CG1-CD1 4.39Å; I93-L175 HydrophobicContact CG2-CD1 4.12Å; K100-L175 HydrophobicContact CB-CB 4.36Å; K100-L175 HydrophobicContact CB-CD1 3.8Å; K100-L175 HydrophobicContact CB-CG 4.23Å; K100-L175 VanDerWaalsContact O-CB 3.27Å; K100-L175 WeakPolarHBondContact O-CB 3.18Å; K100-L175 WeakPolarHBondContact O-CG 3.26Å; K100-L175 PolarHBondContact O-N 2.76Å; L102-L175 HydrophobicContact CB-CD2 3.88Å; P151-L175 HydrophobicContact CB-CD2 4.24Å; P151-L175 HydrophobicContact CG-CD2 3.63Å; A173-L175 PolarHBondContact O-N 2.85Å; L175-A177 PolarHBondContact O-N 2.8Å
176	P	76.9	Confident	73	Confident	48 Å²	48	72.5 Å²	72.5	31%	0.312	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-56.7	135.4	162.8	26.5	-32.9	0	0	0	108.2	R152 I178	R152-P176 WeakPolarHBondContact O-CG 3.48Å; P176-I178 PolarHBondContact O-N 3.21Å
177	A	68.5	Low	71	Confident	98 Å²	98	76.8 Å²	76.8	81%	0.81	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-55.6	118.4	174.3	0	0	0	0	0	108.4	L175 E179	L175-A177 PolarHBondContact O-N 2.8Å; A177-E179 VanDerWaalsContact C-N 3.27Å; A177-E179 PolarHBondContact O-N 2.98Å
178	I	59.5	Low	69.2	Low	152 Å²	152	81.2 Å²	81.2	78%	0.779	50%	0.499	S	S	*	.			trans	-68.7	96.7	171.1	-58.8	176.4	0	0	0	105.4	P176 A180	P176-I178 PolarHBondContact O-N 3.21Å; I178-A180 PolarHBondContact O-N 2.93Å
179	E	48.8	Very low	66.7	Low	176 Å²	176	86.8 Å²	86.8	82%	0.822	53%	0.527	S	S	*	.			trans	-53.2	112.8	172	-172.9	172.4	-148.4	0	0	107.3	A177	A177-E179 VanDerWaalsContact C-N 3.27Å; A177-E179 PolarHBondContact O-N 2.98Å
180	A	46.3	Very low	65	Low	78 Å²	78	93 Å²	93	65%	0.645	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-58.1	129.8	-173.9	0	0	0	0	0	108.1	I178 P182	I178-A180 PolarHBondContact O-N 2.93Å; A180-P182 VanDerWaalsContact O-N 3.1Å
181	P	46	Very low	62.5	Low	111 Å²	111	101.4 Å²	101.4	72%	0.721	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-52.2	123.2	-169.2	18.7	-32	0	0	0	109.5	S183	P181-S183 PolarHBondContact O-N 2.86Å
182	P	46.2	Very low	60.5	Low	118 Å²	118	116.3 Å²	116.3	77%	0.766	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-54.8	125.4	-158.8	17.9	-32.2	0	0	0	110.2	A180 A184	A180-P182 VanDerWaalsContact O-N 3.1Å; P182-A184 PolarHBondContact O-N 2.89Å
183	S	52.6	Low	58.8	Low	119 Å²	119	120.3 Å²	120.3	83%	0.832	68%	0.684	S	S	*	*			trans	-46.7	100.3	-153.2	43.4	0	0	0	0	113.3	P181 G185	P181-S183 PolarHBondContact O-N 2.86Å; S183-G185 PolarHBondContact O-N 2.82Å
184	A	49.4	Very low	56.9	Low	107 Å²	107	126.4 Å²	126.4	88%	0.884	72%	0.719	S	S	*	*			trans	-69.3	95	-166.6	0	0	0	0	0	111.9	P182	P182-A184 PolarHBondContact O-N 2.89Å
185	G	43.1	Very low	55	Low	60 Å²	60	130.4 Å²	130.4	62%	0.619	74%	0.74	S	S	*	*			trans	109.4	104.1	164.9	0	0	0	0	0	115.3	S183	S183-G185 PolarHBondContact O-N 2.82Å
186	R	46.5	Very low	53	Low	241 Å²	241	135.9 Å²	135.9	91%	0.909	77%	0.772	S	S	*	*				-146.4	97.2	125.5	-104.1	173.2	-168	-164.7	2.6	109	P188	R186-P188 VanDerWaalsContact O-CD 3.3Å; R186-P188 WeakPolarHBondContact O-CD 3.3Å
187	V	52	Low	51.5	Low	125 Å²	125	141.4 Å²	141.4	76%	0.758	80%	0.8	S	S	*	*			trans	-115.6	80.9	173.4	-177.4	0	0	0	0	109.3	I189	V187-I189 HydrophobicContact CG1-CD1 4.28Å; V187-I189 HydrophobicContact CG1-CG1 4.03Å; V187-I189 PolarHBondContact O-N 3.41Å
188	P	57.2	Low	50.4	Low	105 Å²	105	144.3 Å²	144.3	68%	0.682	80%	0.8	S	S	*	*			trans	-87.5	91.4	170.2	34.1	-30.8	0	0	0	110	R186 T190	R186-P188 VanDerWaalsContact O-CD 3.3Å; R186-P188 WeakPolarHBondContact O-CD 3.3Å; P188-T190 PolarHBondContact O-N 3.31Å
189	I	45.6	Very low	49.7	Very low	146 Å²	146	143.7 Å²	143.7	75%	0.749	80%	0.801	S	S	*	*			trans	-78.2	107.2	166.5	-61.2	170.6	0	0	0	107.5	V187	V187-I189 HydrophobicContact CG1-CD1 4.28Å; V187-I189 HydrophobicContact CG1-CG1 4.03Å; V187-I189 PolarHBondContact O-N 3.41Å
190	T	61	Low	49.8	Very low	129 Å²	129	141.2 Å²	141.2	79%	0.791	80%	0.799	S	S	*	*			trans	-120.8	122.2	175.4	-53.6	0	0	0	0	109.2	P188	P188-T190 PolarHBondContact O-N 3.31Å
191	Q	45.2	Very low	50.1	Low	179 Å²	179	146.5 Å²	146.5	84%	0.836	81%	0.812	S	S	*	*			trans	-88.9	151	-179.4	-64.4	172.2	-29.3	0	0	111.7
192	R	55.9	Low	50.4	Low	318 Å²	318	149.7 Å²	149.7	100%	1.2	82%	0.821	S	S	*	*			trans	-154.6	0	144.8	-138	179.6	-167.9	-171	3.4	111.6

Retrieved 192 of 192 residues in 91.6 ms (Link to these results)

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