A0A077Z0D6_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077Z0D6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 128 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] 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
1M35.4Very low63.1Low249 Ų24997.5 Ų97.5100%1.22754%0.54SS*.  0109.10-74.1-155.2-83.700107.3
2S39.3Very low65.9Low116 Ų11689.6 Ų89.681%0.81150%0.495SS*.  trans-76.9117.7175.437.40000108.7I4S2-I4 PolarHBondContact O-N 2.96Å
3A52Low68.3Low46 Ų4689.9 Ų89.938%0.3849%0.491SS..  trans-63.1124.416700000107.6E5A3-E5 PolarHBondContact O-N 3.28Å
4I52.7Low70.4Confident152 Ų15287 Ų8778%0.77948%0.479SS*.  trans-58.7109.8174.8-63.9166.1000106.5S2 V6S2-I4 PolarHBondContact O-N 2.96Å; I4-V6 PolarHBondContact O-N 3.1Å
5E53.6Low71.9Confident83 Ų8385.5 Ų85.539%0.38847%0.467SS..  trans-68.8103.2173.2-167.9172-17800107A3 M7 R11 M37A3-E5 PolarHBondContact O-N 3.28Å; E5-M7 PolarHBondContact O-N 2.74Å; E5-R11 VanDerWaalsContact OE1-CD 3.3Å; E5-R11 WeakPolarHBondContact OE1-CD 3.32Å; E5-R11 IonicContact OE1-CZ 3.85Å; E5-R11 IonicContact OE1-NE 2.8Å; E5-R11 IonicContact OE1-NH1 3.82Å; E5-R11 PolarHBondContact OE1-NH1 3.12Å; E5-R11 IonicContact OE2-NH1 2.73Å; E5-M37 WeakPolarHBondContact OE1-CE 3.43Å
6V58.6Low73.1Confident82 Ų8286.8 Ų86.850%0.49747%0.473SS..  trans-69.499.7175.8-177.80000107.1I4 G8 E9I4-V6 PolarHBondContact O-N 3.1Å; V6-G8 PolarHBondContact O-N 3.18Å; V6-G8 VanDerWaalsContact O-N 3.14Å; V6-E9 HydrophobicContact CB-CG 4.41Å; V6-E9 HydrophobicContact CG1-CG 4.35Å; V6-E9 PolarHBondContact O-N 2.87Å
7M54Low74.5Confident161 Ų16187.6 Ų87.679%0.79347%0.471SS*.THydrogen-bonded Turntrans-51.7118.4170.6-71.9-87.4-8200108.6E5E5-M7 PolarHBondContact O-N 2.74Å
8G67.2Low75.8Confident46 Ų4682.9 Ų82.947%0.47445%0.446SS..THydrogen-bonded Turntrans115.84-175.900000116V6 T38V6-G8 PolarHBondContact O-N 3.18Å; V6-G8 VanDerWaalsContact O-N 3.14Å; G8-T38 WeakPolarHBondContact O-CG2 3.4Å
9E88.8Confident76.9Confident63 Ų6380.2 Ų80.229%0.29443%0.434SS..SBendtrans-114.8178.6172.1-63.2-168.6167.300112.6V6 M37 K120V6-E9 HydrophobicContact CB-CG 4.41Å; V6-E9 HydrophobicContact CG1-CG 4.35Å; V6-E9 PolarHBondContact O-N 2.87Å; E9-M37 WeakPolarHBondContact O-CB 3.19Å; E9-M37 PolarHBondContact O-N 3.49Å; E9-K120 IonicContact OE2-NZ 2.77Å; E9-K120 PolarHBondContact OE2-NZ 3.38Å
10I96.1Very high77.9Confident6 Ų676.3 Ų76.33%0.03141%0.412CS..EExtended strand (participates in β ladder)trans-77.6145.7160.466.1175.8000110.3L12 I34 T35 L42 I92 Y94 K120I10-L12 HydrophobicContact CD1-CD2 4.29Å; I10-I34 HydrophobicContact CB-CG2 4.43Å; I10-I34 HydrophobicContact CD1-CG2 4.1Å; I10-T35 CarbonylContact C-O 3.55Å; I10-T35 WeakPolarHBondContact CA-O 3.2Å; I10-L42 HydrophobicContact CG2-CD1 3.63Å; I10-I92 HydrophobicContact CD1-CB 3.86Å; I10-I92 HydrophobicContact CD1-CG2 3.57Å; I10-Y94 HydrophobicContact CB-CE1 4.4Å; I10-Y94 HydrophobicContact CD1-CD1 3.49Å; I10-Y94 VanDerWaalsContact CD1-CD1 3.49Å; I10-Y94 HydrophobicContact CD1-CE1 3.56Å; I10-Y94 HydrophobicContact CD1-CG 4.33Å; I10-Y94 HydrophobicContact CG1-CD1 3.94Å; I10-Y94 HydrophobicContact CG1-CE1 3.52Å; I10-Y94 HydrophobicContact CG2-CD1 4.13Å; I10-Y94 HydrophobicContact CG2-CD2 4.04Å; I10-Y94 HydrophobicContact CG2-CE1 4.16Å; I10-Y94 HydrophobicContact CG2-CE2 4.03Å; I10-Y94 HydrophobicContact CG2-CG 4.06Å; I10-K120 HydrophobicContact CD1-CB 3.93Å; I10-K120 HydrophobicContact CG1-CB 4.01Å
11R96.1Very high78.8Confident69 Ų6977 Ų7726%0.2642%0.416SS..EExtended strand (participates in β ladder)trans-100.5139167.8-175.7173.572.3-140.69.9110.1E5 E13 I34 T35 M37E5-R11 VanDerWaalsContact OE1-CD 3.3Å; E5-R11 WeakPolarHBondContact OE1-CD 3.32Å; E5-R11 IonicContact OE1-CZ 3.85Å; E5-R11 IonicContact OE1-NE 2.8Å; E5-R11 IonicContact OE1-NH1 3.82Å; E5-R11 PolarHBondContact OE1-NH1 3.12Å; E5-R11 IonicContact OE2-NH1 2.73Å; R11-E13 IonicContact CZ-OE1 3.67Å; R11-E13 IonicContact NE-OE1 2.95Å; R11-E13 PolarHBondContact NE-OE1 3.48Å; R11-E13 IonicContact NH2-OE1 3.57Å; R11-E13 PolarHBondContact NH2-OE1 3.15Å; R11-I34 WeakPolarHBondContact O-CA 3.5Å; R11-T35 PolarHBondContact N-O 2.97Å; R11-T35 PolarHBondContact O-N 3.08Å; R11-M37 HydrophobicContact CB-CG 4.06Å
12L97.2Very high81.7Confident2 Ų266.8 Ų66.81%0.0137%0.371CS..EExtended strand (participates in β ladder)trans-107.4142.3169.7-56.5-177.3000109.7I10 P14 Q15 A33 I34 I92 K120 L122I10-L12 HydrophobicContact CD1-CD2 4.29Å; L12-P14 CarbonylContact C-O 3.47Å; L12-P14 VanDerWaalsContact C-O 3.32Å; L12-P14 WeakPolarHBondContact CB-O 3.33Å; L12-P14 CarbonylContact O-C 3.48Å; L12-Q15 WeakPolarHBondContact O-CA 3.32Å; L12-Q15 PolarHBondContact O-N 3.4Å; L12-A33 CarbonylContact C-O 3.58Å; L12-A33 VanDerWaalsContact CA-O 3.28Å; L12-A33 WeakPolarHBondContact CA-O 3.32Å; L12-I34 HydrophobicContact CD2-CB 4.31Å; L12-I34 HydrophobicContact CD2-CG1 3.91Å; L12-I34 HydrophobicContact CD2-CG2 4.11Å; L12-I92 HydrophobicContact CD1-CG1 4.39Å; L12-I92 HydrophobicContact CD2-CG1 4.02Å; L12-K120 HydrophobicContact CD1-CB 4.14Å; L12-K120 HydrophobicContact CD1-CG 3.66Å; L12-K120 HydrophobicContact CG-CG 3.94Å; L12-L122 HydrophobicContact CD1-CB 4.22Å
13E97Very high84.4Confident94 Ų9464.9 Ų64.944%0.43936%0.356SS..EExtended strand (participates in β ladder)trans-130.4114.1167-65.2171.6-157.400108.2R11 C32 A33R11-E13 IonicContact CZ-OE1 3.67Å; R11-E13 IonicContact NE-OE1 2.95Å; R11-E13 PolarHBondContact NE-OE1 3.48Å; R11-E13 IonicContact NH2-OE1 3.57Å; R11-E13 PolarHBondContact NH2-OE1 3.15Å; E13-C32 CarbonylContact O-C 3.48Å; E13-C32 VanDerWaalsContact O-CA 3.26Å; E13-C32 WeakPolarHBondContact O-CA 3.28Å; E13-A33 HydrophobicContact CB-CB 4.15Å; E13-A33 PolarHBondContact N-O 3.04Å; E13-A33 PolarHBondContact O-N 3.06Å
14P97.1Very high86.5Confident49 Ų4963.3 Ų63.332%0.31834%0.341SS..SBendcis-64.3155.6-1.929.8-35.7000112.9L12 K17 M18 L122L12-P14 CarbonylContact C-O 3.47Å; L12-P14 VanDerWaalsContact C-O 3.32Å; L12-P14 WeakPolarHBondContact CB-O 3.33Å; L12-P14 CarbonylContact O-C 3.48Å; P14-K17 VanDerWaalsContact CB-O 3.29Å; P14-K17 WeakPolarHBondContact CB-O 3.38Å; P14-K17 WeakPolarHBondContact CG-O 3.45Å; P14-M18 HydrophobicContact CG-CB 4.12Å; P14-M18 HydrophobicContact CG-CE 4.05Å; P14-L122 HydrophobicContact CG-CD1 4.1Å; P14-L122 WeakPolarHBondContact O-CD1 3.46Å
15Q93.1Very high88.6Confident65 Ų6561.8 Ų61.830%0.30433%0.333SS..SBendtrans-82.3-48.1-167.2-175.6170.2-400114.4L12L12-Q15 WeakPolarHBondContact O-CA 3.32Å; L12-Q15 PolarHBondContact O-N 3.4Å
16D91.5Very high90.7Very high106 Ų10662.9 Ų62.957%0.56734%0.342SS*.SBendtrans-111.5-35.2-170.9-59.8-48.4000112.8K123D16-K123 WeakPolarHBondContact O-CB 2.96Å; D16-K123 PolarHBondContact O-N 3.18Å
17K96.4Very high92.5Very high100 Ų10062.6 Ų62.644%0.43534%0.34SS..EExtended strand (participates in β ladder)trans-148.9153.1-176.263.7174.5-175173.80114.5P14 K123 E125P14-K17 VanDerWaalsContact CB-O 3.29Å; P14-K17 WeakPolarHBondContact CB-O 3.38Å; P14-K17 WeakPolarHBondContact CG-O 3.45Å; K17-K123 CarbonylContact C-O 3.5Å; K17-K123 WeakPolarHBondContact CA-O 2.87Å; K17-K123 HydrophobicContact CB-CB 4.15Å; K17-E125 VanDerWaalsContact CD-CD 3.49Å; K17-E125 HydrophobicContact CD-CG 4.32Å; K17-E125 WeakPolarHBondContact CD-OE2 3.31Å; K17-E125 WeakPolarHBondContact CE-OE2 3.18Å; K17-E125 IonicContact NZ-OE1 3.45Å; K17-E125 IonicContact NZ-OE2 3.87Å; K17-E125 PolarHBondContact NZ-OE2 2.8Å
18M97.5Very high94.6Very high3 Ų357.5 Ų57.52%0.01531%0.313CS..EExtended strand (participates in β ladder)trans-126.7128.4171.2174.6176.8-75.400108.9P14 F20 Q30 C32 I73 L122 K123 I124 E125P14-M18 HydrophobicContact CG-CB 4.12Å; P14-M18 HydrophobicContact CG-CE 4.05Å; M18-F20 HydrophobicContact CG-CE2 4.3Å; M18-F20 HydrophobicContact SD-CE2 4.11Å; M18-F20 HydrophobicContact SD-CZ 4.09Å; M18-Q30 HydrophobicContact CE-CB 3.8Å; M18-Q30 HydrophobicContact CG-CB 4.4Å; M18-Q30 HydrophobicContact SD-CB 3.64Å; M18-C32 HydrophobicContact CE-CB 4.02Å; M18-I73 HydrophobicContact CE-CD1 3.9Å; M18-I73 HydrophobicContact SD-CB 3.96Å; M18-I73 HydrophobicContact SD-CD1 3.85Å; M18-I73 HydrophobicContact SD-CG1 4.41Å; M18-I73 HydrophobicContact SD-CG2 4.17Å; M18-L122 HydrophobicContact CB-CD1 4.45Å; M18-L122 HydrophobicContact CB-CD2 3.88Å; M18-L122 HydrophobicContact CB-CG 4.19Å; M18-L122 HydrophobicContact CE-CD2 4.15Å; M18-L122 HydrophobicContact SD-CD2 4.47Å; M18-K123 PolarHBondContact N-O 2.86Å; M18-I124 HydrophobicContact CB-CD1 4.07Å; M18-I124 WeakPolarHBondContact O-CA 3.38Å; M18-E125 PolarHBondContact O-N 3.41Å
19C97.1Very high96.1Very high32 Ų3261 Ų6122%0.21632%0.319CS..EExtended strand (participates in β ladder)trans-104.6126.4-175.7-55.90000110.8Q30 E125C19-Q30 PolarHBondContact O-NE2 3.28Å; C19-E125 CarbonylContact C-O 3.32Å; C19-E125 VanDerWaalsContact CA-O 3.25Å; C19-E125 WeakPolarHBondContact CA-O 3.45Å
20F97.4Very high96.6Very high1 Ų161.4 Ų61.40%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-99.4126.4166-72.5-79.8000109.4M18 F24 K28 Q30 L54 I73 C75 I124 E125 Y126 N127M18-F20 HydrophobicContact CG-CE2 4.3Å; M18-F20 HydrophobicContact SD-CE2 4.11Å; M18-F20 HydrophobicContact SD-CZ 4.09Å; F20-F24 HydrophobicContact CB-CE1 4.22Å; F20-F24 WeakPolarHBondContact O-CE1 3.26Å; F20-K28 HydrophobicContact CB-CD 4.46Å; F20-K28 HydrophobicContact CD1-CB 3.58Å; F20-K28 HydrophobicContact CD1-CD 4.05Å; F20-K28 HydrophobicContact CD1-CG 4.47Å; F20-K28 HydrophobicContact CE1-CB 3.76Å; F20-Q30 VanDerWaalsContact CD1-NE2 3.3Å; F20-Q30 HydrophobicContact CE1-CB 4.37Å; F20-Q30 HydrophobicContact CE1-CG 3.98Å; F20-Q30 VanDerWaalsContact CE1-NE2 3.34Å; F20-Q30 HydrophobicContact CZ-CB 4.39Å; F20-Q30 HydrophobicContact CZ-CG 4.44Å; F20-L54 HydrophobicContact CE2-CD2 4.17Å; F20-I73 HydrophobicContact CE2-CG2 4.34Å; F20-I73 HydrophobicContact CZ-CG2 4.21Å; F20-C75 HydrophobicContact CD1-CB 3.78Å; F20-C75 HydrophobicContact CD2-CB 3.98Å; F20-C75 HydrophobicContact CE1-CB 3.68Å; F20-C75 HydrophobicContact CE2-CB 3.89Å; F20-C75 HydrophobicContact CG-CB 3.93Å; F20-C75 HydrophobicContact CZ-CB 3.74Å; F20-I124 HydrophobicContact CD2-CG2 3.83Å; F20-I124 HydrophobicContact CE2-CG2 4.2Å; F20-E125 PolarHBondContact N-O 2.75Å; F20-Y126 HydrophobicContact CB-CD1 4.21Å; F20-Y126 HydrophobicContact CB-CE1 4.44Å; F20-Y126 WeakPolarHBondContact O-CA 3.23Å; F20-N127 PolarHBondContact O-N 2.82Å
21N96.4Very high96.7Very high91 Ų9164.8 Ų64.849%0.48734%0.342SS..EExtended strand (participates in β ladder)trans-95.1142.1-178.8-53.2-64.2000111K28 N127N21-K28 WeakPolarHBondContact O-CE 3.41Å; N21-K28 PolarHBondContact O-NZ 3.14Å; N21-N127 VanDerWaalsContact OD1-CB 3.31Å; N21-N127 WeakPolarHBondContact OD1-CB 3.48Å; N21-N127 PolarHBondContact OD1-ND2 3.46Å
22A96Very high96.8Very high35 Ų3561.7 Ų61.729%0.28933%0.33SS..SBendtrans-54.6156.4169.300000111.7F24 N127 R128A22-F24 HydrophobicContact CB-CD2 4.33Å; A22-F24 HydrophobicContact CB-CE2 3.9Å; A22-F24 HydrophobicContact CB-CZ 4.12Å; A22-N127 WeakPolarHBondContact CB-O 3.46Å; A22-N127 PolarHBondContact N-O 2.72Å; A22-R128 WeakPolarHBondContact CB-OXT 3.3Å
23P96.8Very high96.8Very high76 Ų7662.1 Ų62.149%0.49433%0.334SS..PPolyproline II helixcis-77.7148.60.432.6-36000112.8I25 K28P23-I25 VanDerWaalsContact C-N 3.34Å; P23-I25 HydrophobicContact CB-CD1 4.32Å; P23-I25 HydrophobicContact CB-CG1 4.13Å; P23-I25 HydrophobicContact CG-CD1 4.37Å; P23-I25 HydrophobicContact CG-CG1 4.28Å; P23-I25 PolarHBondContact O-N 3.03Å; P23-K28 WeakPolarHBondContact O-CE 3.28Å; P23-K28 PolarHBondContact O-NZ 2.95Å
24F96.1Very high96.9Very high13 Ų1357.6 Ų57.66%0.05731%0.313CS..  trans-96.734.7-179.1-53.7-66.6000113.4F20 A22 P77 F78 P80 Y126F20-F24 HydrophobicContact CB-CE1 4.22Å; F20-F24 WeakPolarHBondContact O-CE1 3.26Å; A22-F24 HydrophobicContact CB-CD2 4.33Å; A22-F24 HydrophobicContact CB-CE2 3.9Å; A22-F24 HydrophobicContact CB-CZ 4.12Å; F24-P77 VanDerWaalsContact O-CA 3.3Å; F24-P77 WeakPolarHBondContact O-CA 3.48Å; F24-F78 HydrophobicContact CB-CD1 3.88Å; F24-F78 HydrophobicContact CB-CE1 3.66Å; F24-F78 HydrophobicContact CB-CZ 4.14Å; F24-F78 HydrophobicContact CD1-CD1 4.48Å; F24-F78 AromaticContact CD1-CE1 3.54Å; F24-F78 HydrophobicContact CD1-CE1 3.54Å; F24-F78 AromaticContact CD1-CZ 3.95Å; F24-F78 HydrophobicContact CD1-CZ 3.95Å; F24-F78 HydrophobicContact CD2-CE1 4.17Å; F24-F78 AromaticContact CD2-CZ 3.87Å; F24-F78 HydrophobicContact CD2-CZ 3.87Å; F24-F78 HydrophobicContact CE1-CE1 4.24Å; F24-F78 HydrophobicContact CE1-CZ 4.34Å; F24-F78 HydrophobicContact CE2-CZ 4.27Å; F24-F78 HydrophobicContact CG-CD1 4.25Å; F24-F78 AromaticContact CG-CE1 3.51Å; F24-F78 HydrophobicContact CG-CE1 3.51Å; F24-F78 AromaticContact CG-CZ 3.71Å; F24-F78 HydrophobicContact CG-CZ 3.71Å; F24-F78 HydrophobicContact CZ-CZ 4.5Å; F24-F78 PolarHBondContact O-N 2.8Å; F24-P80 HydrophobicContact CD2-CB 4.06Å; F24-P80 HydrophobicContact CD2-CG 3.89Å; F24-P80 HydrophobicContact CE2-CB 4.3Å; F24-P80 HydrophobicContact CE2-CG 4.42Å; F24-Y126 AromaticContact CE1-CD1 3.88Å; F24-Y126 HydrophobicContact CE1-CD1 3.88Å; F24-Y126 HydrophobicContact CZ-CD1 4.16Å
25I96.7Very high96.9Very high121 Ų12155.7 Ų55.762%0.62130%0.301SS*.SBendtrans-95-17.1-177.362.6179.3000113.2P23 P77P23-I25 VanDerWaalsContact C-N 3.34Å; P23-I25 HydrophobicContact CB-CD1 4.32Å; P23-I25 HydrophobicContact CB-CG1 4.13Å; P23-I25 HydrophobicContact CG-CD1 4.37Å; P23-I25 HydrophobicContact CG-CG1 4.28Å; P23-I25 PolarHBondContact O-N 3.03Å; I25-P77 WeakPolarHBondContact O-CB 3.25Å; I25-P77 WeakPolarHBondContact O-CG 3.4Å
26D96.8Very high97.1Very high106 Ų10652.6 Ų52.657%0.56729%0.286SS*.SBendtrans-122.5152179.5-59.2-51.6000110.2K28D26-K28 PolarHBondContact O-N 3.47Å
27T98.1Very high97.3Very high76 Ų7650 Ų5047%0.46627%0.271SS..  trans-61.4130.5173.8-530000109.9T74 C75 E76 P77T27-T74 HydrophobicContact CG2-CG2 3.25Å; T27-C75 CarbonylContact C-O 3.48Å; T27-C75 WeakPolarHBondContact CA-O 3.22Å; T27-E76 PolarHBondContact OG1-OE2 2.79Å; T27-P77 WeakPolarHBondContact OG1-CD 3.31Å
28K98.1Very high97.2Very high53 Ų5346.2 Ų46.223%0.2326%0.256CS..EExtended strand (participates in β ladder)trans-114.7142.4176.8-63.7173.7-164.9-85.40109.9F20 N21 P23 D26 T74 C75F20-K28 HydrophobicContact CB-CD 4.46Å; F20-K28 HydrophobicContact CD1-CB 3.58Å; F20-K28 HydrophobicContact CD1-CD 4.05Å; F20-K28 HydrophobicContact CD1-CG 4.47Å; F20-K28 HydrophobicContact CE1-CB 3.76Å; N21-K28 WeakPolarHBondContact O-CE 3.41Å; N21-K28 PolarHBondContact O-NZ 3.14Å; P23-K28 WeakPolarHBondContact O-CE 3.28Å; P23-K28 PolarHBondContact O-NZ 2.95Å; D26-K28 PolarHBondContact O-N 3.47Å; K28-T74 CarbonylContact O-C 3.6Å; K28-T74 WeakPolarHBondContact O-CA 3.34Å; K28-C75 HydrophobicContact CB-CB 4.45Å; K28-C75 PolarHBondContact N-O 3.37Å; K28-C75 PolarHBondContact O-N 3.03Å
29M98.2Very high97Very high121 Ų12151 Ų5160%0.59629%0.29SS*.EExtended strand (participates in β ladder)trans-129135.8177.8-169.1-176.1-59.600109.8I73M29-I73 WeakPolarHBondContact CA-O 3.47Å
30Q98.1Very high96.8Very high71 Ų7154.2 Ų54.233%0.33230%0.301SS..EExtended strand (participates in β ladder)trans-133.9153.5171.8-72.3-175.476.400109.7M18 C19 F20 I73M18-Q30 HydrophobicContact CE-CB 3.8Å; M18-Q30 HydrophobicContact CG-CB 4.4Å; M18-Q30 HydrophobicContact SD-CB 3.64Å; C19-Q30 PolarHBondContact O-NE2 3.28Å; F20-Q30 VanDerWaalsContact CD1-NE2 3.3Å; F20-Q30 HydrophobicContact CE1-CB 4.37Å; F20-Q30 HydrophobicContact CE1-CG 3.98Å; F20-Q30 VanDerWaalsContact CE1-NE2 3.34Å; F20-Q30 HydrophobicContact CZ-CB 4.39Å; F20-Q30 HydrophobicContact CZ-CG 4.44Å; Q30-I73 PolarHBondContact N-O 2.76Å; Q30-I73 PolarHBondContact O-N 2.8Å
31T98.2Very high96.7Very high77 Ų7757.6 Ų57.647%0.47231%0.313SS..EExtended strand (participates in β ladder)trans-97.6138.6179.3-53.80000110.3L70 V71T31-L70 HydrophobicContact CG2-CB 3.83Å; T31-L70 HydrophobicContact CG2-CD1 4.38Å; T31-L70 HydrophobicContact CG2-CD2 3.92Å; T31-L70 HydrophobicContact CG2-CG 4.25Å; T31-V71 CarbonylContact C-O 3.56Å; T31-V71 WeakPolarHBondContact CA-O 3.36Å
32C98.1Very high96.7Very high3 Ų353.7 Ų53.72%0.0229%0.292CS..EExtended strand (participates in β ladder)trans-118132.6166.1179.80000109.3E13 M18 V71 I73 L122E13-C32 CarbonylContact O-C 3.48Å; E13-C32 VanDerWaalsContact O-CA 3.26Å; E13-C32 WeakPolarHBondContact O-CA 3.28Å; M18-C32 HydrophobicContact CE-CB 4.02Å; C32-V71 HydrophobicContact CB-CG2 3.88Å; C32-V71 PolarHBondContact N-O 3.06Å; C32-V71 WeakPolarHBondContact O-CG2 3.28Å; C32-V71 PolarHBondContact O-N 3.1Å; C32-I73 HydrophobicContact CB-CD1 3.81Å; C32-I73 HydrophobicContact CB-CG1 4.44Å; C32-L122 HydrophobicContact CB-CD2 4.39Å
33A98.3Very high96.7Very high11 Ų1152 Ų529%0.09128%0.279CS..EExtended strand (participates in β ladder)trans-90.5133.3171.500000110.2L12 E13 T68 L70L12-A33 CarbonylContact C-O 3.58Å; L12-A33 VanDerWaalsContact CA-O 3.28Å; L12-A33 WeakPolarHBondContact CA-O 3.32Å; E13-A33 HydrophobicContact CB-CB 4.15Å; E13-A33 PolarHBondContact N-O 3.04Å; E13-A33 PolarHBondContact O-N 3.06Å; A33-T68 HydrophobicContact CB-CG2 3.85Å; A33-L70 HydrophobicContact CB-CD2 3.71Å
34I98Very high96.7Very high0 Ų048.6 Ų48.60%026%0.256CS..EExtended strand (participates in β ladder)trans-114114.5173.5-49.7175.7000107.5I10 R11 L12 W44 L63 T68 R69 V71 I92I10-I34 HydrophobicContact CB-CG2 4.43Å; I10-I34 HydrophobicContact CD1-CG2 4.1Å; R11-I34 WeakPolarHBondContact O-CA 3.5Å; L12-I34 HydrophobicContact CD2-CB 4.31Å; L12-I34 HydrophobicContact CD2-CG1 3.91Å; L12-I34 HydrophobicContact CD2-CG2 4.11Å; I34-W44 HydrophobicContact CD1-CD2 4.37Å; I34-W44 HydrophobicContact CD1-CE3 3.93Å; I34-W44 HydrophobicContact CD1-CH2 4.18Å; I34-W44 HydrophobicContact CD1-CZ3 3.84Å; I34-L63 HydrophobicContact CG2-CD2 3.93Å; I34-T68 CarbonylContact O-C 3.49Å; I34-T68 WeakPolarHBondContact O-CA 3.37Å; I34-R69 PolarHBondContact N-O 3.2Å; I34-R69 PolarHBondContact O-N 2.89Å; I34-V71 HydrophobicContact CD1-CG1 3.69Å; I34-V71 HydrophobicContact CD1-CG2 4.14Å; I34-V71 HydrophobicContact CG1-CG1 4.38Å; I34-V71 HydrophobicContact CG1-CG2 4.4Å; I34-I92 HydrophobicContact CD1-CD1 3.87Å; I34-I92 HydrophobicContact CD1-CG1 4.15Å; I34-I92 HydrophobicContact CD1-CG2 4.23Å; I34-I92 HydrophobicContact CG2-CG2 4.49Å
35T97.8Very high96.8Very high8 Ų851.2 Ų51.25%0.04927%0.266CS..EExtended strand (participates in β ladder)trans-113.7129.5-179.4-56.60000110.6I10 R11 M37 Q67 T68I10-T35 CarbonylContact C-O 3.55Å; I10-T35 WeakPolarHBondContact CA-O 3.2Å; R11-T35 PolarHBondContact N-O 2.97Å; R11-T35 PolarHBondContact O-N 3.08Å; T35-M37 HydrophobicContact CG2-SD 3.52Å; T35-M37 VanDerWaalsContact CG2-SD 3.52Å; T35-M37 PolarHBondContact O-N 3.15Å; T35-Q67 WeakPolarHBondContact CA-O 3.37Å; T35-T68 WeakPolarHBondContact CG2-OG1 3.39Å; T35-T68 WeakPolarHBondContact OG1-CG2 3.41Å; T35-T68 PolarHBondContact OG1-OG1 3.01Å
36N97.2Very high96.9Very high0 Ų046.7 Ų46.70%024%0.244CC..EExtended strand (participates in β ladder)trans-82.7104.3173.6179.39.4000110.4T38 K40 L42 L63 E64 N66 Q67N36-T38 VanDerWaalsContact C-N 3.26Å; N36-T38 WeakPolarHBondContact OD1-CA 3.27Å; N36-T38 VanDerWaalsContact OD1-CB 3.27Å; N36-T38 WeakPolarHBondContact OD1-CB 3.23Å; N36-T38 WeakPolarHBondContact OD1-CG2 3.35Å; N36-T38 PolarHBondContact OD1-N 3.16Å; N36-T38 PolarHBondContact OD1-OG1 3.01Å; N36-K40 PolarHBondContact ND2-O 2.87Å; N36-L42 HydrophobicContact CB-CD1 4.31Å; N36-L42 WeakPolarHBondContact OD1-CD1 3.36Å; N36-L63 HydrophobicContact CB-CB 4.31Å; N36-L63 HydrophobicContact CB-CD2 3.56Å; N36-L63 HydrophobicContact CB-CG 3.59Å; N36-L63 PolarHBondContact ND2-O 2.78Å; N36-L63 VanDerWaalsContact ND2-O 3.15Å; N36-E64 VanDerWaalsContact CB-O 3.32Å; N36-E64 WeakPolarHBondContact CB-O 3.5Å; N36-E64 VanDerWaalsContact ND2-C 3.27Å; N36-E64 PolarHBondContact ND2-O 3.13Å; N36-N66 WeakPolarHBondContact O-CA 3.27Å; N36-N66 PolarHBondContact O-N 2.8Å; N36-Q67 PolarHBondContact N-O 2.86Å
37M96.1Very high96.9Very high52 Ų5246.3 Ų46.326%0.25624%0.237SC..  trans-89.28.7175.9-49.6-61.5-65.200112.5E5 E9 R11 T35E5-M37 WeakPolarHBondContact OE1-CE 3.43Å; E9-M37 WeakPolarHBondContact O-CB 3.19Å; E9-M37 PolarHBondContact O-N 3.49Å; R11-M37 HydrophobicContact CB-CG 4.06Å; T35-M37 HydrophobicContact CG2-SD 3.52Å; T35-M37 VanDerWaalsContact CG2-SD 3.52Å; T35-M37 PolarHBondContact O-N 3.15Å
38T93.5Very high96.8Very high20 Ų2044.4 Ų44.412%0.12323%0.226CC..SBendtrans-92.5160.5177.785.10000111.2G8 N36 K40 L42 P65G8-T38 WeakPolarHBondContact O-CG2 3.4Å; N36-T38 VanDerWaalsContact C-N 3.26Å; N36-T38 WeakPolarHBondContact OD1-CA 3.27Å; N36-T38 VanDerWaalsContact OD1-CB 3.27Å; N36-T38 WeakPolarHBondContact OD1-CB 3.23Å; N36-T38 WeakPolarHBondContact OD1-CG2 3.35Å; N36-T38 PolarHBondContact OD1-N 3.16Å; N36-T38 PolarHBondContact OD1-OG1 3.01Å; T38-K40 PolarHBondContact O-N 2.99Å; T38-K40 PolarHBondContact OG1-N 2.94Å; T38-K40 VanDerWaalsContact OG1-N 3.15Å; T38-K40 PolarHBondContact OG1-O 2.86Å; T38-K40 VanDerWaalsContact OG1-O 3.07Å; T38-L42 HydrophobicContact CG2-CD1 4.21Å; T38-P65 WeakPolarHBondContact O-CB 3.2Å
39S93.2Very high96.8Very high104 Ų10444.9 Ų44.973%0.72724%0.236SC*.SBendtrans-80.42.9171.360.10000113.7
40K93.5Very high96.7Very high100 Ų10040.7 Ų40.744%0.43522%0.217SC..SBendtrans-111148.6-174.4-56.9-55.5-167.4171.50111.1N36 T38 E96N36-K40 PolarHBondContact ND2-O 2.87Å; T38-K40 PolarHBondContact O-N 2.99Å; T38-K40 PolarHBondContact OG1-N 2.94Å; T38-K40 VanDerWaalsContact OG1-N 3.15Å; T38-K40 PolarHBondContact OG1-O 2.86Å; T38-K40 VanDerWaalsContact OG1-O 3.07Å; K40-E96 HydrophobicContact CB-CG 4.12Å; K40-E96 VanDerWaalsContact CD-OE1 3.32Å; K40-E96 WeakPolarHBondContact CD-OE1 3.24Å; K40-E96 HydrophobicContact CG-CG 4.42Å; K40-E96 IonicContact NZ-OE1 3.8Å
41R95.2Very high96.5Very high71 Ų7141 Ų4127%0.26823%0.232SC..  trans-70.5131.7167.7179.5-178.9-67.3-179.6-3.3109E64 V97 P100 A102R41-E64 IonicContact CZ-OE1 3Å; R41-E64 IonicContact CZ-OE2 3.25Å; R41-E64 VanDerWaalsContact CZ-OE2 3.25Å; R41-E64 IonicContact NE-OE1 2.79Å; R41-E64 PolarHBondContact NE-OE1 2.78Å; R41-E64 IonicContact NE-OE2 2.78Å; R41-E64 PolarHBondContact NE-OE2 2.79Å; R41-E64 IonicContact NH1-OE1 3.94Å; R41-E64 IonicContact NH2-OE1 2.86Å; R41-E64 PolarHBondContact NH2-OE1 3.27Å; R41-E64 IonicContact NH2-OE2 2.77Å; R41-E64 PolarHBondContact NH2-OE2 2.9Å; R41-V97 HydrophobicContact CB-CB 4.45Å; R41-V97 HydrophobicContact CG-CB 4.15Å; R41-V97 HydrophobicContact CG-CG2 4.32Å; R41-V97 PolarHBondContact O-N 2.81Å; R41-P100 PolarHBondContact NH1-O 3.13Å; R41-A102 PolarHBondContact NH1-O 3.23Å
42L96Very high96.3Very high9 Ų946.6 Ų46.65%0.04725%0.249CC..EExtended strand (participates in β ladder)trans-111.7144.8180-56.3178.2000111.2I10 N36 T38 L62 L63 Y94 R95I10-L42 HydrophobicContact CG2-CD1 3.63Å; N36-L42 HydrophobicContact CB-CD1 4.31Å; N36-L42 WeakPolarHBondContact OD1-CD1 3.36Å; T38-L42 HydrophobicContact CG2-CD1 4.21Å; L42-L62 CarbonylContact O-C 3.54Å; L42-L62 WeakPolarHBondContact O-CA 3.36Å; L42-L63 HydrophobicContact CB-CB 4.43Å; L42-L63 PolarHBondContact N-O 3.07Å; L42-L63 PolarHBondContact O-N 2.78Å; L42-Y94 HydrophobicContact CD1-CD2 3.71Å; L42-Y94 HydrophobicContact CD1-CE2 4.25Å; L42-Y94 HydrophobicContact CD1-CG 4.43Å; L42-Y94 HydrophobicContact CD2-CD2 4.28Å; L42-R95 CarbonylContact C-O 3.55Å; L42-R95 VanDerWaalsContact CA-O 3.28Å; L42-R95 WeakPolarHBondContact CA-O 3.32Å
43G96.6Very high96.2Very high0 Ų046.7 Ų46.70%025%0.249CC..EExtended strand (participates in β ladder)trans-101.8129.1159.900000107.6G61 Y94 R95 V97G43-G61 WeakPolarHBondContact CA-O 3.34Å; G43-Y94 VanDerWaalsContact O-CA 3.26Å; G43-Y94 WeakPolarHBondContact O-CA 3.29Å; G43-R95 PolarHBondContact N-O 2.84Å; G43-R95 PolarHBondContact O-N 2.77Å; G43-V97 VanDerWaalsContact N-CG2 3.27Å
44W97.6Very high96.2Very high4 Ų446.2 Ų46.22%0.01525%0.245CC..EExtended strand (participates in β ladder)trans-125.7151.9-177.166.5-86.5000111.3I34 T46 P58 Q60 G61 V71 I92 E93 F105I34-W44 HydrophobicContact CD1-CD2 4.37Å; I34-W44 HydrophobicContact CD1-CE3 3.93Å; I34-W44 HydrophobicContact CD1-CH2 4.18Å; I34-W44 HydrophobicContact CD1-CZ3 3.84Å; W44-T46 HydrophobicContact CE3-CG2 4.24Å; W44-T46 HydrophobicContact CZ3-CG2 3.71Å; W44-P58 HydrophobicContact CH2-CG 4.05Å; W44-P58 VanDerWaalsContact CH2-O 3.26Å; W44-P58 WeakPolarHBondContact CH2-O 3.48Å; W44-P58 HydrophobicContact CZ2-CG 4.25Å; W44-Q60 CarbonylContact O-C 3.52Å; W44-Q60 WeakPolarHBondContact O-CA 3.21Å; W44-Q60 VanDerWaalsContact O-CB 3.26Å; W44-Q60 WeakPolarHBondContact O-CB 3.45Å; W44-G61 VanDerWaalsContact CD1-C 3.46Å; W44-G61 PolarHBondContact N-O 3.19Å; W44-G61 PolarHBondContact NE1-O 3Å; W44-G61 PolarHBondContact O-N 3.23Å; W44-V71 HydrophobicContact CH2-CG1 3.4Å; W44-V71 HydrophobicContact CZ2-CG1 4.18Å; W44-V71 HydrophobicContact CZ3-CG1 3.96Å; W44-I92 HydrophobicContact CB-CG2 4.27Å; W44-I92 HydrophobicContact CE3-CG2 4.34Å; W44-E93 CarbonylContact C-O 3.58Å; W44-E93 WeakPolarHBondContact CA-O 3.38Å; W44-F105 WeakPolarHBondContact O-CE2 3.44Å
45R97.7Very high96.2Very high69 Ų6951.3 Ų51.326%0.2627%0.27SS..EExtended strand (participates in β ladder)trans-146.7153.1172.969-176.9-177.5-175.3-2.3110.7P59 Q60 E93 F105 F110R45-P59 CarbonylContact C-O 3.56Å; R45-P59 WeakPolarHBondContact CA-O 3.26Å; R45-Q60 HydrophobicContact CB-CB 3.87Å; R45-E93 HydrophobicContact CG-CB 4.13Å; R45-E93 IonicContact CZ-OE2 3.32Å; R45-E93 PolarHBondContact N-O 3.1Å; R45-E93 IonicContact NE-OE2 2.73Å; R45-E93 PolarHBondContact NE-OE2 3.29Å; R45-E93 IonicContact NH2-OE2 3.17Å; R45-E93 PolarHBondContact NH2-OE2 2.68Å; R45-E93 PolarHBondContact O-N 3.24Å; R45-F105 HydrophobicContact CB-CZ 4.21Å; R45-F110 HydrophobicContact CB-CE2 4.44Å; R45-F110 HydrophobicContact CB-CZ 4.46Å; R45-F110 HydrophobicContact CG-CE1 4.16Å; R45-F110 HydrophobicContact CG-CE2 3.96Å; R45-F110 HydrophobicContact CG-CZ 3.68Å
46T97.9Very high96.2Very high26 Ų2651.7 Ų51.716%0.1627%0.272CS..EExtended strand (participates in β ladder)trans-98152.4178.663.60000111.6W44 V56 P59 T91 I92W44-T46 HydrophobicContact CE3-CG2 4.24Å; W44-T46 HydrophobicContact CZ3-CG2 3.71Å; T46-V56 HydrophobicContact CG2-CB 4Å; T46-V56 HydrophobicContact CG2-CG1 3.6Å; T46-V56 HydrophobicContact CG2-CG2 4.32Å; T46-P59 PolarHBondContact N-O 2.91Å; T46-P59 PolarHBondContact OG1-O 3.37Å; T46-P59 VanDerWaalsContact OG1-O 3.13Å; T46-T91 CarbonylContact C-O 3.48Å; T46-T91 WeakPolarHBondContact CA-O 3.22Å; T46-I92 HydrophobicContact CG2-CD1 3.39Å
47K96.8Very high96.3Very high98 Ų9856.8 Ų56.843%0.42630%0.299SS..EExtended strand (participates in β ladder)trans-131.9134.6165.6-69.5179.9173.71760107.9I90 T91 E93K47-I90 CarbonylContact O-C 3.59Å; K47-I90 WeakPolarHBondContact O-CA 3.38Å; K47-T91 PolarHBondContact N-O 2.99Å; K47-T91 PolarHBondContact O-N 3.03Å; K47-E93 HydrophobicContact CD-CG 4.42Å; K47-E93 VanDerWaalsContact CE-CD 3.41Å; K47-E93 VanDerWaalsContact CE-OE1 3.27Å; K47-E93 WeakPolarHBondContact CE-OE1 3.49Å; K47-E93 VanDerWaalsContact CE-OE2 3.23Å; K47-E93 WeakPolarHBondContact CE-OE2 3.47Å; K47-E93 VanDerWaalsContact NZ-CD 3.29Å; K47-E93 IonicContact NZ-OE1 3.19Å; K47-E93 PolarHBondContact NZ-OE1 2.97Å; K47-E93 IonicContact NZ-OE2 2.66Å; K47-E93 PolarHBondContact NZ-OE2 3.31Å
48S97.2Very high96.4Very high35 Ų3556.8 Ų56.825%0.24530%0.303CS..EExtended strand (participates in β ladder)trans-104.5135.4172.3176.90000109.2N50 L54S48-N50 PolarHBondContact O-N 2.66Å; S48-N50 PolarHBondContact OG-N 2.73Å; S48-N50 VanDerWaalsContact OG-N 3.16Å; S48-N50 PolarHBondContact OG-O 2.77Å; S48-L54 WeakPolarHBondContact CB-O 3.21Å; S48-L54 VanDerWaalsContact OG-CB 3.31Å; S48-L54 WeakPolarHBondContact OG-CB 3.22Å; S48-L54 PolarHBondContact OG-O 2.91Å; S48-L54 VanDerWaalsContact OG-O 3.1Å
49S96.9Very high96.6Very high63 Ų6358.9 Ų58.944%0.44132%0.318SS..SBendtrans-61.6-27.5168.855.20000112.3D88 R89S49-D88 VanDerWaalsContact OG-CA 3.23Å; S49-D88 WeakPolarHBondContact OG-CA 3.15Å; S49-D88 PolarHBondContact OG-OD1 2.78Å; S49-R89 PolarHBondContact N-O 3.32Å; S49-R89 PolarHBondContact OG-N 3.15Å; S49-R89 PolarHBondContact OG-O 3.16Å
50N96.2Very high96.8Very high34 Ų3457.8 Ų57.818%0.18230%0.301CS..  trans-136.980.6-176.9-173.7-13000109.9S48 K52 R53 L54 D88S48-N50 PolarHBondContact O-N 2.66Å; S48-N50 PolarHBondContact OG-N 2.73Å; S48-N50 VanDerWaalsContact OG-N 3.16Å; S48-N50 PolarHBondContact OG-O 2.77Å; N50-K52 PolarHBondContact O-N 2.87Å; N50-K52 VanDerWaalsContact O-N 3.13Å; N50-K52 PolarHBondContact OD1-N 2.91Å; N50-R53 HydrophobicContact CB-CB 4.44Å; N50-R53 PolarHBondContact O-N 3.19Å; N50-R53 VanDerWaalsContact O-N 3.15Å; N50-R53 PolarHBondContact OD1-N 2.89Å; N50-L54 WeakPolarHBondContact O-CB 3.44Å; N50-L54 PolarHBondContact O-N 3.11Å; N50-D88 VanDerWaalsContact CB-OD1 3.25Å; N50-D88 WeakPolarHBondContact CB-OD1 3.49Å
51A94.6Very high97.1Very high78 Ų7853.7 Ų53.765%0.64529%0.287SS*.THydrogen-bonded Turntrans-66.4-11.5-177.800000114.5
52K94.3Very high97.2Very high193 Ų19351.5 Ų51.584%0.83928%0.28SS*.THydrogen-bonded Turntrans-79-35.3173.2-67.2-174.6179.6-178.10112.1N50N50-K52 PolarHBondContact O-N 2.87Å; N50-K52 VanDerWaalsContact O-N 3.13Å; N50-K52 PolarHBondContact OD1-N 2.91Å
53R96.1Very high97.2Very high5 Ų551 Ų512%0.01928%0.278CS..THydrogen-bonded Turntrans-97.8-36-177.2-171-171.7-64.8160.1-4.8112.2N50 C75 E76 F78 E83 S84 D88 Y126N50-R53 HydrophobicContact CB-CB 4.44Å; N50-R53 PolarHBondContact O-N 3.19Å; N50-R53 VanDerWaalsContact O-N 3.15Å; N50-R53 PolarHBondContact OD1-N 2.89Å; R53-C75 CarbonylContact O-C 3.55Å; R53-C75 VanDerWaalsContact O-CA 3.24Å; R53-C75 WeakPolarHBondContact O-CA 3.21Å; R53-E76 PolarHBondContact O-N 2.95Å; R53-F78 HydrophobicContact CG-CD1 3.96Å; R53-F78 HydrophobicContact CG-CE1 4.48Å; R53-F78 HydrophobicContact CG-CG 4.32Å; R53-E83 IonicContact CZ-OE2 4Å; R53-E83 IonicContact NE-OE2 2.72Å; R53-E83 IonicContact NH2-OE2 2.75Å; R53-E83 PolarHBondContact NH2-OE2 2.8Å; R53-S84 PolarHBondContact NH1-O 2.95Å; R53-S84 VanDerWaalsContact NH1-O 3.07Å; R53-S84 PolarHBondContact NH2-O 2.84Å; R53-S84 VanDerWaalsContact NH2-O 3.14Å; R53-D88 IonicContact CZ-OD2 2.72Å; R53-D88 IonicContact NH1-OD2 3.57Å; R53-D88 PolarHBondContact NH1-OD2 3.15Å; R53-Y126 WeakPolarHBondContact CD-OH 3.47Å
54L97.9Very high97.2Very high1 Ų153.9 Ų53.91%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-120.9116.6-168.6-65.8169.8000110.7F20 S48 N50 T74 C75 D88 I90 I124F20-L54 HydrophobicContact CE2-CD2 4.17Å; S48-L54 WeakPolarHBondContact CB-O 3.21Å; S48-L54 VanDerWaalsContact OG-CB 3.31Å; S48-L54 WeakPolarHBondContact OG-CB 3.22Å; S48-L54 PolarHBondContact OG-O 2.91Å; S48-L54 VanDerWaalsContact OG-O 3.1Å; N50-L54 WeakPolarHBondContact O-CB 3.44Å; N50-L54 PolarHBondContact O-N 3.11Å; L54-T74 VanDerWaalsContact CA-O 3.32Å; L54-T74 WeakPolarHBondContact CA-O 3.32Å; L54-C75 HydrophobicContact CD2-CB 4.08Å; L54-D88 HydrophobicContact CD1-CB 4.06Å; L54-I90 HydrophobicContact CB-CD1 4.13Å; L54-I124 HydrophobicContact CD1-CB 4.3Å; L54-I124 HydrophobicContact CD1-CG1 3.79Å; L54-I124 HydrophobicContact CD1-CG2 4.37Å; L54-I124 HydrophobicContact CD2-CG1 4.47Å; L54-I124 HydrophobicContact CD2-CG2 4.3Å
55M98.1Very high97.1Very high107 Ų10756 Ų5653%0.52731%0.306SS..EExtended strand (participates in β ladder)trans-117.1149.1177.2-66.3178.855.700110.7I73 T74M55-I73 CarbonylContact O-C 3.56Å; M55-I73 WeakPolarHBondContact O-CA 3.3Å; M55-T74 PolarHBondContact N-O 3.48Å; M55-T74 PolarHBondContact O-N 2.82Å
56V98.5Very high97Very high17 Ų1758.7 Ų58.710%0.10333%0.325CS..EExtended strand (participates in β ladder)trans-127.4130.3177.9-171.60000110.3T46 V71 S72 I73 I90T46-V56 HydrophobicContact CG2-CB 4Å; T46-V56 HydrophobicContact CG2-CG1 3.6Å; T46-V56 HydrophobicContact CG2-CG2 4.32Å; V56-V71 HydrophobicContact CG1-CB 3.86Å; V56-V71 HydrophobicContact CG1-CG2 3.92Å; V56-S72 CarbonylContact C-O 3.59Å; V56-S72 VanDerWaalsContact CA-O 3.29Å; V56-S72 WeakPolarHBondContact CA-O 3.42Å; V56-I73 HydrophobicContact CG1-CG1 4.43Å; V56-I73 HydrophobicContact CG2-CG1 4.27Å; V56-I90 HydrophobicContact CG2-CD1 3.72Å; V56-I90 HydrophobicContact CG2-CG1 4.07Å; V56-I90 HydrophobicContact CG2-CG2 3.86Å
57D98.3Very high97Very high106 Ų10659.7 Ų59.757%0.56733%0.328SS*.EExtended strand (participates in β ladder)trans-132.5128.6178-173.554.7000111.9V71 S72D57-V71 CarbonylContact O-C 3.51Å; D57-V71 WeakPolarHBondContact O-CA 3.38Å; D57-S72 PolarHBondContact N-O 2.86Å; D57-S72 PolarHBondContact O-N 3.37Å
58P98.3Very high97Very high52 Ų5258.1 Ų58.134%0.33833%0.327SS..SBendcis-64.4149-10.826.9-32.6000111.4W44 Q60W44-P58 HydrophobicContact CH2-CG 4.05Å; W44-P58 VanDerWaalsContact CH2-O 3.26Å; W44-P58 WeakPolarHBondContact CH2-O 3.48Å; W44-P58 HydrophobicContact CZ2-CG 4.25Å; P58-Q60 VanDerWaalsContact C-N 3.29Å; P58-Q60 PolarHBondContact O-N 2.95Å
59P98Very high97.1Very high65 Ų6561.4 Ų61.442%0.42233%0.334SS..  trans-77.7-15.9-179.730-35.2000112.9R45 T46R45-P59 CarbonylContact C-O 3.56Å; R45-P59 WeakPolarHBondContact CA-O 3.26Å; T46-P59 PolarHBondContact N-O 2.91Å; T46-P59 PolarHBondContact OG1-O 3.37Å; T46-P59 VanDerWaalsContact OG1-O 3.13Å
60Q98.2Very high97.1Very high81 Ų8163.9 Ų63.938%0.37934%0.342SS..EExtended strand (participates in β ladder)trans-161.2162.5-175.764.7-170.719.600111.4W44 R45 P58 F105W44-Q60 CarbonylContact O-C 3.52Å; W44-Q60 WeakPolarHBondContact O-CA 3.21Å; W44-Q60 VanDerWaalsContact O-CB 3.26Å; W44-Q60 WeakPolarHBondContact O-CB 3.45Å; R45-Q60 HydrophobicContact CB-CB 3.87Å; P58-Q60 VanDerWaalsContact C-N 3.29Å; P58-Q60 PolarHBondContact O-N 2.95Å; Q60-F105 HydrophobicContact CB-CD1 4.27Å; Q60-F105 HydrophobicContact CB-CD2 4.3Å; Q60-F105 HydrophobicContact CB-CE1 4.22Å; Q60-F105 HydrophobicContact CB-CE2 4.2Å; Q60-F105 HydrophobicContact CB-CG 4.31Å; Q60-F105 HydrophobicContact CB-CZ 4.16Å; Q60-F105 HydrophobicContact CG-CD1 3.86Å; Q60-F105 HydrophobicContact CG-CE1 4.12Å; Q60-F105 HydrophobicContact CG-CG 4.13Å; Q60-F105 VanDerWaalsContact NE2-CD1 3.31Å
61G97.8Very high97.2Very high14 Ų1462.4 Ų62.414%0.14433%0.334CS..EExtended strand (participates in β ladder)trans-178.3-177.6177.500000114.3G43 W44 F105G43-G61 WeakPolarHBondContact CA-O 3.34Å; W44-G61 VanDerWaalsContact CD1-C 3.46Å; W44-G61 PolarHBondContact N-O 3.19Å; W44-G61 PolarHBondContact NE1-O 3Å; W44-G61 PolarHBondContact O-N 3.23Å; G61-F105 WeakPolarHBondContact O-CD2 3.34Å
62L97.4Very high97.4Very high24 Ų2460.3 Ų60.313%0.12631%0.314CS..EExtended strand (participates in β ladder)trans-97.6149.1165.4-61.2-179.1000109.1L42 V97 I109L42-L62 CarbonylContact O-C 3.54Å; L42-L62 WeakPolarHBondContact O-CA 3.36Å; L62-V97 HydrophobicContact CD2-CG2 3.99Å; L62-I109 HydrophobicContact CD2-CD1 3.92Å
63L96.7Very high97.6Very high0 Ų051.1 Ų51.10%028%0.275CS..EExtended strand (participates in β ladder)trans-135.1110.4178.6-157.863.1000108.9I34 N36 L42 Q67 R69I34-L63 HydrophobicContact CG2-CD2 3.93Å; N36-L63 HydrophobicContact CB-CB 4.31Å; N36-L63 HydrophobicContact CB-CD2 3.56Å; N36-L63 HydrophobicContact CB-CG 3.59Å; N36-L63 PolarHBondContact ND2-O 2.78Å; N36-L63 VanDerWaalsContact ND2-O 3.15Å; L42-L63 HydrophobicContact CB-CB 4.43Å; L42-L63 PolarHBondContact N-O 3.07Å; L42-L63 PolarHBondContact O-N 2.78Å; L63-Q67 HydrophobicContact CD1-CB 4.11Å; L63-Q67 HydrophobicContact CD1-CG 4.01Å; L63-Q67 WeakPolarHBondContact CD1-O 3.44Å; L63-Q67 HydrophobicContact CG-CB 4.47Å; L63-R69 HydrophobicContact CD1-CB 3.83Å; L63-R69 HydrophobicContact CD1-CG 3.26Å
64E96.7Very high97.7Very high59 Ų5951.9 Ų51.928%0.27628%0.28SS..  trans-68160175.1-58.5-55.8148.600111.2N36 R41 N66 Q67N36-E64 VanDerWaalsContact CB-O 3.32Å; N36-E64 WeakPolarHBondContact CB-O 3.5Å; N36-E64 VanDerWaalsContact ND2-C 3.27Å; N36-E64 PolarHBondContact ND2-O 3.13Å; R41-E64 IonicContact CZ-OE1 3Å; R41-E64 IonicContact CZ-OE2 3.25Å; R41-E64 VanDerWaalsContact CZ-OE2 3.25Å; R41-E64 IonicContact NE-OE1 2.79Å; R41-E64 PolarHBondContact NE-OE1 2.78Å; R41-E64 IonicContact NE-OE2 2.78Å; R41-E64 PolarHBondContact NE-OE2 2.79Å; R41-E64 IonicContact NH1-OE1 3.94Å; R41-E64 IonicContact NH2-OE1 2.86Å; R41-E64 PolarHBondContact NH2-OE1 3.27Å; R41-E64 IonicContact NH2-OE2 2.77Å; R41-E64 PolarHBondContact NH2-OE2 2.9Å; E64-N66 PolarHBondContact O-N 2.94Å; E64-Q67 HydrophobicContact CB-CB 3.95Å; E64-Q67 WeakPolarHBondContact O-CB 3.25Å; E64-Q67 PolarHBondContact O-N 3.15Å
65P95.7Very high97.8Very high49 Ų4951.9 Ų51.932%0.31828%0.28SS..THydrogen-bonded Turntrans-51.2133.6170.2-27.636.3000111.9T38 Q67T38-P65 WeakPolarHBondContact O-CB 3.2Å; P65-Q67 PolarHBondContact O-N 2.85Å; P65-Q67 VanDerWaalsContact O-N 3.1Å
66N95.2Very high97.8Very high126 Ų12649.7 Ų49.767%0.67427%0.268SS*.THydrogen-bonded Turntrans61.38.5-177.1-51-54.9000115.6N36 E64N36-N66 WeakPolarHBondContact O-CA 3.27Å; N36-N66 PolarHBondContact O-N 2.8Å; E64-N66 PolarHBondContact O-N 2.94Å
67Q97.5Very high97.7Very high46 Ų4651.9 Ų51.922%0.21528%0.283CS..  trans-81.9137.8177.9-175.2172.168.900110.9T35 N36 L63 E64 P65 R69T35-Q67 WeakPolarHBondContact CA-O 3.37Å; N36-Q67 PolarHBondContact N-O 2.86Å; L63-Q67 HydrophobicContact CD1-CB 4.11Å; L63-Q67 HydrophobicContact CD1-CG 4.01Å; L63-Q67 WeakPolarHBondContact CD1-O 3.44Å; L63-Q67 HydrophobicContact CG-CB 4.47Å; E64-Q67 HydrophobicContact CB-CB 3.95Å; E64-Q67 WeakPolarHBondContact O-CB 3.25Å; E64-Q67 PolarHBondContact O-N 3.15Å; P65-Q67 PolarHBondContact O-N 2.85Å; P65-Q67 VanDerWaalsContact O-N 3.1Å; Q67-R69 VanDerWaalsContact CD-NH1 3.26Å
68T98.1Very high97.6Very high66 Ų6647.8 Ų47.841%0.40526%0.26SS..EExtended strand (participates in β ladder)trans-101.3138.1167.3-56.60000110.4A33 I34 T35A33-T68 HydrophobicContact CB-CG2 3.85Å; I34-T68 CarbonylContact O-C 3.49Å; I34-T68 WeakPolarHBondContact O-CA 3.37Å; T35-T68 WeakPolarHBondContact CG2-OG1 3.39Å; T35-T68 WeakPolarHBondContact OG1-CG2 3.41Å; T35-T68 PolarHBondContact OG1-OG1 3.01Å
69R98.1Very high97.5Very high103 Ų10347.9 Ų47.939%0.38926%0.258SS..EExtended strand (participates in β ladder)trans-122131.7168.7-74.5-72.2178.8-102.16.4109.3I34 L63 Q67I34-R69 PolarHBondContact N-O 3.2Å; I34-R69 PolarHBondContact O-N 2.89Å; L63-R69 HydrophobicContact CD1-CB 3.83Å; L63-R69 HydrophobicContact CD1-CG 3.26Å; Q67-R69 VanDerWaalsContact CD-NH1 3.26Å
70L98.4Very high97.3Very high116 Ų11646 Ų4661%0.60725%0.246SC*.EExtended strand (participates in β ladder)trans-87.4133.7171.2-61-179.3000108.6T31 A33T31-L70 HydrophobicContact CG2-CB 3.83Å; T31-L70 HydrophobicContact CG2-CD1 4.38Å; T31-L70 HydrophobicContact CG2-CD2 3.92Å; T31-L70 HydrophobicContact CG2-CG 4.25Å; A33-L70 HydrophobicContact CB-CD2 3.71Å
71V98.3Very high97.1Very high2 Ų248.9 Ų48.91%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-120.4139.7170.4-55.70000109.2T31 C32 I34 W44 V56 D57 I73T31-V71 CarbonylContact C-O 3.56Å; T31-V71 WeakPolarHBondContact CA-O 3.36Å; C32-V71 HydrophobicContact CB-CG2 3.88Å; C32-V71 PolarHBondContact N-O 3.06Å; C32-V71 WeakPolarHBondContact O-CG2 3.28Å; C32-V71 PolarHBondContact O-N 3.1Å; I34-V71 HydrophobicContact CD1-CG1 3.69Å; I34-V71 HydrophobicContact CD1-CG2 4.14Å; I34-V71 HydrophobicContact CG1-CG1 4.38Å; I34-V71 HydrophobicContact CG1-CG2 4.4Å; W44-V71 HydrophobicContact CH2-CG1 3.4Å; W44-V71 HydrophobicContact CZ2-CG1 4.18Å; W44-V71 HydrophobicContact CZ3-CG1 3.96Å; V56-V71 HydrophobicContact CG1-CB 3.86Å; V56-V71 HydrophobicContact CG1-CG2 3.92Å; D57-V71 CarbonylContact O-C 3.51Å; D57-V71 WeakPolarHBondContact O-CA 3.38Å; V71-I73 HydrophobicContact CG2-CG1 4.43Å
72S98.5Very high96.9Very high34 Ų3456.4 Ų56.424%0.23829%0.288CS..EExtended strand (participates in β ladder)trans-87.1126.4170.2-65.20000109V56 D57V56-S72 CarbonylContact C-O 3.59Å; V56-S72 VanDerWaalsContact CA-O 3.29Å; V56-S72 WeakPolarHBondContact CA-O 3.42Å; D57-S72 PolarHBondContact N-O 2.86Å; D57-S72 PolarHBondContact O-N 3.37Å
73I98.5Very high96.7Very high1 Ų159.1 Ų59.11%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-105.8113.1171.2-58.1178.4000107M18 F20 M29 Q30 C32 M55 V56 V71 I90 L122M18-I73 HydrophobicContact CE-CD1 3.9Å; M18-I73 HydrophobicContact SD-CB 3.96Å; M18-I73 HydrophobicContact SD-CD1 3.85Å; M18-I73 HydrophobicContact SD-CG1 4.41Å; M18-I73 HydrophobicContact SD-CG2 4.17Å; F20-I73 HydrophobicContact CE2-CG2 4.34Å; F20-I73 HydrophobicContact CZ-CG2 4.21Å; M29-I73 WeakPolarHBondContact CA-O 3.47Å; Q30-I73 PolarHBondContact N-O 2.76Å; Q30-I73 PolarHBondContact O-N 2.8Å; C32-I73 HydrophobicContact CB-CD1 3.81Å; C32-I73 HydrophobicContact CB-CG1 4.44Å; M55-I73 CarbonylContact O-C 3.56Å; M55-I73 WeakPolarHBondContact O-CA 3.3Å; V56-I73 HydrophobicContact CG1-CG1 4.43Å; V56-I73 HydrophobicContact CG2-CG1 4.27Å; V71-I73 HydrophobicContact CG2-CG1 4.43Å; I73-I90 HydrophobicContact CD1-CG1 4.17Å; I73-I90 HydrophobicContact CG2-CG1 4.21Å; I73-L122 HydrophobicContact CD1-CD2 3.69Å
74T98.5Very high96.5Very high20 Ų2063.3 Ų63.312%0.12333%0.329CS..EExtended strand (participates in β ladder)trans-101.1128.1-179.3-58.20000109.5T27 K28 L54 M55T27-T74 HydrophobicContact CG2-CG2 3.25Å; K28-T74 CarbonylContact O-C 3.6Å; K28-T74 WeakPolarHBondContact O-CA 3.34Å; L54-T74 VanDerWaalsContact CA-O 3.32Å; L54-T74 WeakPolarHBondContact CA-O 3.32Å; M55-T74 PolarHBondContact N-O 3.48Å; M55-T74 PolarHBondContact O-N 2.82Å
75C98.3Very high96.3Very high2 Ų262.3 Ų62.31%0.01433%0.325CS..EExtended strand (participates in β ladder)trans-105.2113.3169.6-175.50000109F20 T27 K28 R53 L54F20-C75 HydrophobicContact CD1-CB 3.78Å; F20-C75 HydrophobicContact CD2-CB 3.98Å; F20-C75 HydrophobicContact CE1-CB 3.68Å; F20-C75 HydrophobicContact CE2-CB 3.89Å; F20-C75 HydrophobicContact CG-CB 3.93Å; F20-C75 HydrophobicContact CZ-CB 3.74Å; T27-C75 CarbonylContact C-O 3.48Å; T27-C75 WeakPolarHBondContact CA-O 3.22Å; K28-C75 HydrophobicContact CB-CB 4.45Å; K28-C75 PolarHBondContact N-O 3.37Å; K28-C75 PolarHBondContact O-N 3.03Å; R53-C75 CarbonylContact O-C 3.55Å; R53-C75 VanDerWaalsContact O-CA 3.24Å; R53-C75 WeakPolarHBondContact O-CA 3.21Å; L54-C75 HydrophobicContact CD2-CB 4.08Å
76E98Very high95.9Very high61 Ų6163 Ų6329%0.28534%0.336SS..  trans-70.7156.7174.3-68.1-57.515600111.8T27 R53T27-E76 PolarHBondContact OG1-OE2 2.79Å; R53-E76 PolarHBondContact O-N 2.95Å
77P97.6Very high95.7Very high62 Ų6262.7 Ų62.740%0.40333%0.334SS..  trans-54.9142.1172.1-23.632.7000112F24 I25 T27F24-P77 VanDerWaalsContact O-CA 3.3Å; F24-P77 WeakPolarHBondContact O-CA 3.48Å; I25-P77 WeakPolarHBondContact O-CB 3.25Å; I25-P77 WeakPolarHBondContact O-CG 3.4Å; T27-P77 WeakPolarHBondContact OG1-CD 3.31Å
78F96.9Very high95.7Very high21 Ų2161 Ų619%0.09233%0.327CS..  trans-159.4163.5179.577.3-85000111.1F24 R53 P80 E83 L85 Y126F24-F78 HydrophobicContact CB-CD1 3.88Å; F24-F78 HydrophobicContact CB-CE1 3.66Å; F24-F78 HydrophobicContact CB-CZ 4.14Å; F24-F78 HydrophobicContact CD1-CD1 4.48Å; F24-F78 AromaticContact CD1-CE1 3.54Å; F24-F78 HydrophobicContact CD1-CE1 3.54Å; F24-F78 AromaticContact CD1-CZ 3.95Å; F24-F78 HydrophobicContact CD1-CZ 3.95Å; F24-F78 HydrophobicContact CD2-CE1 4.17Å; F24-F78 AromaticContact CD2-CZ 3.87Å; F24-F78 HydrophobicContact CD2-CZ 3.87Å; F24-F78 HydrophobicContact CE1-CE1 4.24Å; F24-F78 HydrophobicContact CE1-CZ 4.34Å; F24-F78 HydrophobicContact CE2-CZ 4.27Å; F24-F78 HydrophobicContact CG-CD1 4.25Å; F24-F78 AromaticContact CG-CE1 3.51Å; F24-F78 HydrophobicContact CG-CE1 3.51Å; F24-F78 AromaticContact CG-CZ 3.71Å; F24-F78 HydrophobicContact CG-CZ 3.71Å; F24-F78 HydrophobicContact CZ-CZ 4.5Å; F24-F78 PolarHBondContact O-N 2.8Å; R53-F78 HydrophobicContact CG-CD1 3.96Å; R53-F78 HydrophobicContact CG-CE1 4.48Å; R53-F78 HydrophobicContact CG-CG 4.32Å; F78-P80 HydrophobicContact CE2-CB 3.83Å; F78-P80 HydrophobicContact CZ-CB 4.41Å; F78-P80 WeakPolarHBondContact O-CD 3.29Å; F78-E83 WeakPolarHBondContact CB-OE1 3.43Å; F78-E83 HydrophobicContact CD2-CB 4.46Å; F78-L85 HydrophobicContact CD2-CD2 4.43Å; F78-L85 HydrophobicContact CE2-CD2 3.33Å; F78-L85 HydrophobicContact CZ-CD2 3.64Å; F78-Y126 AromaticContact CE1-CD1 3.92Å; F78-Y126 HydrophobicContact CE1-CD1 3.92Å; F78-Y126 AromaticContact CE1-CE1 3.79Å; F78-Y126 HydrophobicContact CE1-CE1 3.79Å; F78-Y126 AromaticContact CZ-CD1 3.68Å; F78-Y126 HydrophobicContact CZ-CD1 3.68Å; F78-Y126 AromaticContact CZ-CE1 3.85Å; F78-Y126 HydrophobicContact CZ-CE1 3.85Å; F78-Y126 HydrophobicContact CZ-CG 4.24Å
79D95.7Very high95.7Very high53 Ų5363.9 Ų63.928%0.28333%0.33SS..  trans-97.5107.3177-173.4-21.7000110.2E81 K82 E83D79-E81 PolarHBondContact O-N 2.78Å; D79-E81 WeakPolarHBondContact OD1-CB 3.26Å; D79-E81 PolarHBondContact OD1-N 3.44Å; D79-K82 HydrophobicContact CB-CB 4.14Å; D79-K82 HydrophobicContact CB-CD 4.31Å; D79-K82 HydrophobicContact CB-CG 4.31Å; D79-K82 PolarHBondContact O-N 3.39Å; D79-K82 VanDerWaalsContact O-N 3.16Å; D79-K82 VanDerWaalsContact OD2-CD 3.23Å; D79-K82 WeakPolarHBondContact OD2-CD 3.43Å; D79-K82 WeakPolarHBondContact OD2-CE 3.39Å; D79-K82 WeakPolarHBondContact OD2-CG 3.23Å; D79-K82 IonicContact OD2-NZ 3.79Å; D79-K82 PolarHBondContact OD2-NZ 2.8Å; D79-E83 PolarHBondContact N-OE1 2.93Å; D79-E83 PolarHBondContact O-N 2.94Å; D79-E83 VanDerWaalsContact O-N 3.14Å
80P93.5Very high95.7Very high27 Ų2759 Ų5918%0.17531%0.312CS..THydrogen-bonded Turntrans-67.9-14-176.532-39.3000114F24 F78 L85 R128F24-P80 HydrophobicContact CD2-CB 4.06Å; F24-P80 HydrophobicContact CD2-CG 3.89Å; F24-P80 HydrophobicContact CE2-CB 4.3Å; F24-P80 HydrophobicContact CE2-CG 4.42Å; F78-P80 HydrophobicContact CE2-CB 3.83Å; F78-P80 HydrophobicContact CZ-CB 4.41Å; F78-P80 WeakPolarHBondContact O-CD 3.29Å; P80-L85 HydrophobicContact CB-CD1 4.26Å; P80-R128 PolarHBondContact O-NH2 3.13Å
81E93.5Very high95.6Very high141 Ų14154.4 Ų54.466%0.65929%0.288SS*.THydrogen-bonded Turntrans-89.3-19.6177-60.5-55.2119.500112.3D79 R128D79-E81 PolarHBondContact O-N 2.78Å; D79-E81 WeakPolarHBondContact OD1-CB 3.26Å; D79-E81 PolarHBondContact OD1-N 3.44Å; E81-R128 IonicContact OE1-CZ 2.76Å; E81-R128 IonicContact OE1-NH1 2.78Å; E81-R128 PolarHBondContact OE1-NH1 2.81Å; E81-R128 IonicContact OE1-NH2 3.52Å; E81-R128 IonicContact OE2-NH1 2.79Å
82K94.2Very high95.6Very high171 Ų17154.5 Ų54.574%0.74329%0.288SS*.THydrogen-bonded Turntrans-103.7-14.3-179.9-64.6-177.4-172.5127.20113.9D79D79-K82 HydrophobicContact CB-CB 4.14Å; D79-K82 HydrophobicContact CB-CD 4.31Å; D79-K82 HydrophobicContact CB-CG 4.31Å; D79-K82 PolarHBondContact O-N 3.39Å; D79-K82 VanDerWaalsContact O-N 3.16Å; D79-K82 VanDerWaalsContact OD2-CD 3.23Å; D79-K82 WeakPolarHBondContact OD2-CD 3.43Å; D79-K82 WeakPolarHBondContact OD2-CE 3.39Å; D79-K82 WeakPolarHBondContact OD2-CG 3.23Å; D79-K82 IonicContact OD2-NZ 3.79Å; D79-K82 PolarHBondContact OD2-NZ 2.8Å
83E93.3Very high95.5Very high82 Ų8253.7 Ų53.738%0.38328%0.281SS..SBendtrans-121.2145-174.5-60.1178.9-137.600112.3R53 F78 D79 L85R53-E83 IonicContact CZ-OE2 4Å; R53-E83 IonicContact NE-OE2 2.72Å; R53-E83 IonicContact NH2-OE2 2.75Å; R53-E83 PolarHBondContact NH2-OE2 2.8Å; F78-E83 WeakPolarHBondContact CB-OE1 3.43Å; F78-E83 HydrophobicContact CD2-CB 4.46Å; D79-E83 PolarHBondContact N-OE1 2.93Å; D79-E83 PolarHBondContact O-N 2.94Å; D79-E83 VanDerWaalsContact O-N 3.14Å; E83-L85 PolarHBondContact O-N 3.31Å
84S92.3Very high95.4Very high88 Ų8853.9 Ų53.962%0.61528%0.282SS*.  trans-64.2137.1172.4-175.10000110.6R53 A86R53-S84 PolarHBondContact NH1-O 2.95Å; R53-S84 VanDerWaalsContact NH1-O 3.07Å; R53-S84 PolarHBondContact NH2-O 2.84Å; R53-S84 VanDerWaalsContact NH2-O 3.14Å; S84-A86 PolarHBondContact OG-N 2.79Å
85L91.8Very high95.3Very high37 Ų3754.4 Ų54.419%0.19428%0.282CS..  trans-105.9-0.2171.6-60.2-176000112.3F78 P80 E83 Y126F78-L85 HydrophobicContact CD2-CD2 4.43Å; F78-L85 HydrophobicContact CE2-CD2 3.33Å; F78-L85 HydrophobicContact CZ-CD2 3.64Å; P80-L85 HydrophobicContact CB-CD1 4.26Å; E83-L85 PolarHBondContact O-N 3.31Å; L85-Y126 HydrophobicContact CB-CD2 4.01Å; L85-Y126 HydrophobicContact CD2-CD2 3.65Å; L85-Y126 HydrophobicContact CD2-CE2 4.04Å; L85-Y126 HydrophobicContact CD2-CG 3.93Å; L85-Y126 HydrophobicContact CG-CD2 4.27Å
86A88.7Confident95.1Very high65 Ų6557.4 Ų57.454%0.53730%0.295SS..THydrogen-bonded Turntrans-75.2136.5-174.200000111.3S84 D88S84-A86 PolarHBondContact OG-N 2.79Å; A86-D88 PolarHBondContact O-N 3.44Å; A86-D88 VanDerWaalsContact O-N 3.1Å
87D90.8Very high94.9Very high119 Ų11955.1 Ų55.164%0.63629%0.286SS*.THydrogen-bonded Turntrans57.921.8168.5-59.8-35.6000116.8R89D87-R89 PolarHBondContact O-N 2.79Å
88D96.9Very high94.6Very high11 Ų1157.2 Ų57.26%0.05929%0.289CS..  trans-63.6132.4172.3-90.6-18.9000110.8S49 N50 R53 L54 A86 I124 Y126S49-D88 VanDerWaalsContact OG-CA 3.23Å; S49-D88 WeakPolarHBondContact OG-CA 3.15Å; S49-D88 PolarHBondContact OG-OD1 2.78Å; N50-D88 VanDerWaalsContact CB-OD1 3.25Å; N50-D88 WeakPolarHBondContact CB-OD1 3.49Å; R53-D88 IonicContact CZ-OD2 2.72Å; R53-D88 IonicContact NH1-OD2 3.57Å; R53-D88 PolarHBondContact NH1-OD2 3.15Å; L54-D88 HydrophobicContact CD1-CB 4.06Å; A86-D88 PolarHBondContact O-N 3.44Å; A86-D88 VanDerWaalsContact O-N 3.1Å; D88-I124 HydrophobicContact CB-CB 4.08Å; D88-I124 PolarHBondContact O-N 2.86Å; D88-Y126 HydrophobicContact CB-CE2 4Å; D88-Y126 PolarHBondContact OD2-OH 2.81Å; D88-Y126 VanDerWaalsContact OD2-OH 3.11Å
89R97.7Very high94.2Very high125 Ų12560.5 Ų60.547%0.47231%0.307SS..EExtended strand (participates in β ladder)trans-154.8149.9-176.559.9-176.4150.1-152-10.9112.1S49 D87 L122S49-R89 PolarHBondContact N-O 3.32Å; S49-R89 PolarHBondContact OG-N 3.15Å; S49-R89 PolarHBondContact OG-O 3.16Å; D87-R89 PolarHBondContact O-N 2.79Å; R89-L122 VanDerWaalsContact CA-O 3.25Å; R89-L122 WeakPolarHBondContact CA-O 3.34Å; R89-L122 WeakPolarHBondContact CB-O 3.26Å
90I98.1Very high93.7Very high2 Ų262.4 Ų62.41%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-100.8124.7162.7-61.1-54.3000108.3K47 L54 V56 I73 I92 S121 L122 I124K47-I90 CarbonylContact O-C 3.59Å; K47-I90 WeakPolarHBondContact O-CA 3.38Å; L54-I90 HydrophobicContact CB-CD1 4.13Å; V56-I90 HydrophobicContact CG2-CD1 3.72Å; V56-I90 HydrophobicContact CG2-CG1 4.07Å; V56-I90 HydrophobicContact CG2-CG2 3.86Å; I73-I90 HydrophobicContact CD1-CG1 4.17Å; I73-I90 HydrophobicContact CG2-CG1 4.21Å; I90-I92 HydrophobicContact CG2-CD1 3.96Å; I90-S121 CarbonylContact O-C 3.5Å; I90-S121 WeakPolarHBondContact O-CA 3.2Å; I90-L122 PolarHBondContact N-O 3.1Å; I90-L122 PolarHBondContact O-N 2.91Å; I90-I124 HydrophobicContact CG1-CD1 4.27Å
91T97.4Very high93.5Very high18 Ų1868.6 Ų68.611%0.1135%0.349CS..EExtended strand (participates in β ladder)trans-106.2124.6174.7-59.30000109.7T46 K47 E93 Q119 K120 S121T46-T91 CarbonylContact C-O 3.48Å; T46-T91 WeakPolarHBondContact CA-O 3.22Å; K47-T91 PolarHBondContact N-O 2.99Å; K47-T91 PolarHBondContact O-N 3.03Å; T91-E93 HydrophobicContact CG2-CG 4.32Å; T91-Q119 HydrophobicContact CG2-CB 3.95Å; T91-K120 CarbonylContact C-O 3.57Å; T91-K120 WeakPolarHBondContact CA-O 3.39Å; T91-S121 PolarHBondContact OG1-OG 2.99Å
92I97.6Very high93.4Very high4 Ų462.7 Ų62.72%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-94.2110.1170.1-48.4-54.9000107.7I10 L12 I34 W44 T46 I90 Q119 K120I10-I92 HydrophobicContact CD1-CB 3.86Å; I10-I92 HydrophobicContact CD1-CG2 3.57Å; L12-I92 HydrophobicContact CD1-CG1 4.39Å; L12-I92 HydrophobicContact CD2-CG1 4.02Å; I34-I92 HydrophobicContact CD1-CD1 3.87Å; I34-I92 HydrophobicContact CD1-CG1 4.15Å; I34-I92 HydrophobicContact CD1-CG2 4.23Å; I34-I92 HydrophobicContact CG2-CG2 4.49Å; W44-I92 HydrophobicContact CB-CG2 4.27Å; W44-I92 HydrophobicContact CE3-CG2 4.34Å; T46-I92 HydrophobicContact CG2-CD1 3.39Å; I90-I92 HydrophobicContact CG2-CD1 3.96Å; I92-Q119 CarbonylContact O-C 3.57Å; I92-Q119 VanDerWaalsContact O-CA 3.28Å; I92-Q119 WeakPolarHBondContact O-CA 3.43Å; I92-K120 PolarHBondContact N-O 3.16Å; I92-K120 PolarHBondContact O-N 2.89Å
93E96.6Very high93.4Very high17 Ų1761 Ų618%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-91139.9169.2-63.6-173.8152.500109.6W44 R45 K47 T91 F110 T117 H118W44-E93 CarbonylContact C-O 3.58Å; W44-E93 WeakPolarHBondContact CA-O 3.38Å; R45-E93 HydrophobicContact CG-CB 4.13Å; R45-E93 IonicContact CZ-OE2 3.32Å; R45-E93 PolarHBondContact N-O 3.1Å; R45-E93 IonicContact NE-OE2 2.73Å; R45-E93 PolarHBondContact NE-OE2 3.29Å; R45-E93 IonicContact NH2-OE2 3.17Å; R45-E93 PolarHBondContact NH2-OE2 2.68Å; R45-E93 PolarHBondContact O-N 3.24Å; K47-E93 HydrophobicContact CD-CG 4.42Å; K47-E93 VanDerWaalsContact CE-CD 3.41Å; K47-E93 VanDerWaalsContact CE-OE1 3.27Å; K47-E93 WeakPolarHBondContact CE-OE1 3.49Å; K47-E93 VanDerWaalsContact CE-OE2 3.23Å; K47-E93 WeakPolarHBondContact CE-OE2 3.47Å; K47-E93 VanDerWaalsContact NZ-CD 3.29Å; K47-E93 IonicContact NZ-OE1 3.19Å; K47-E93 PolarHBondContact NZ-OE1 2.97Å; K47-E93 IonicContact NZ-OE2 2.66Å; K47-E93 PolarHBondContact NZ-OE2 3.31Å; T91-E93 HydrophobicContact CG2-CG 4.32Å; E93-F110 HydrophobicContact CB-CE1 3.83Å; E93-F110 HydrophobicContact CB-CZ 4.24Å; E93-T117 HydrophobicContact CB-CG2 4.19Å; E93-T117 HydrophobicContact CG-CG2 4.41Å; E93-H118 WeakPolarHBondContact CA-O 3.49Å
94Y96.6Very high93.5Very high5 Ų565.9 Ų65.92%0.0234%0.343CS..EExtended strand (participates in β ladder)trans-146153.5179.362.1-82.8000112.9I10 L42 G43 H118I10-Y94 HydrophobicContact CB-CE1 4.4Å; I10-Y94 HydrophobicContact CD1-CD1 3.49Å; I10-Y94 VanDerWaalsContact CD1-CD1 3.49Å; I10-Y94 HydrophobicContact CD1-CE1 3.56Å; I10-Y94 HydrophobicContact CD1-CG 4.33Å; I10-Y94 HydrophobicContact CG1-CD1 3.94Å; I10-Y94 HydrophobicContact CG1-CE1 3.52Å; I10-Y94 HydrophobicContact CG2-CD1 4.13Å; I10-Y94 HydrophobicContact CG2-CD2 4.04Å; I10-Y94 HydrophobicContact CG2-CE1 4.16Å; I10-Y94 HydrophobicContact CG2-CE2 4.03Å; I10-Y94 HydrophobicContact CG2-CG 4.06Å; L42-Y94 HydrophobicContact CD1-CD2 3.71Å; L42-Y94 HydrophobicContact CD1-CE2 4.25Å; L42-Y94 HydrophobicContact CD1-CG 4.43Å; L42-Y94 HydrophobicContact CD2-CD2 4.28Å; G43-Y94 VanDerWaalsContact O-CA 3.26Å; G43-Y94 WeakPolarHBondContact O-CA 3.29Å; Y94-H118 HydrophobicContact CD1-CB 4.05Å; Y94-H118 HydrophobicContact CD2-CB 3.83Å; Y94-H118 HydrophobicContact CE1-CB 3.57Å; Y94-H118 HydrophobicContact CE2-CB 3.36Å; Y94-H118 AromaticContact CE2-CG 3.9Å; Y94-H118 HydrophobicContact CG-CB 4.17Å; Y94-H118 PolarHBondContact N-O 2.91Å; Y94-H118 PolarHBondContact O-N 3.11Å
95R95.3Very high93.6Very high32 Ų3262.9 Ų62.912%0.12132%0.319CS..EExtended strand (participates in β ladder)trans-145.8150.8179.8-70.4-174.4168.8-151.2-6111.1L42 G43 I109 F110 N112 A115 T116 T117L42-R95 CarbonylContact C-O 3.55Å; L42-R95 VanDerWaalsContact CA-O 3.28Å; L42-R95 WeakPolarHBondContact CA-O 3.32Å; G43-R95 PolarHBondContact N-O 2.84Å; G43-R95 PolarHBondContact O-N 2.77Å; R95-I109 HydrophobicContact CB-CG2 4.01Å; R95-I109 WeakPolarHBondContact CD-O 3.25Å; R95-I109 PolarHBondContact NH1-O 2.93Å; R95-F110 HydrophobicContact CG-CD1 4.18Å; R95-F110 HydrophobicContact CG-CE1 3.99Å; R95-F110 HydrophobicContact CG-CZ 4.46Å; R95-F110 PolarHBondContact NH1-O 2.8Å; R95-F110 VanDerWaalsContact NH1-O 3.08Å; R95-N112 PolarHBondContact NH1-O 2.76Å; R95-A115 HydrophobicContact CB-CB 4.38Å; R95-A115 HydrophobicContact CG-CB 4.47Å; R95-A115 PolarHBondContact NH1-O 2.86Å; R95-T116 WeakPolarHBondContact CG-O 3.49Å; R95-T117 PolarHBondContact NE-OG1 2.85Å; R95-T117 PolarHBondContact NH2-OG1 2.84Å
96E94.3Very high93.8Very high64 Ų6463.6 Ų63.630%0.29933%0.325SS..EExtended strand (participates in β ladder)trans-60.9137169.1179.6170.7-170.700111.3K40 F98K40-E96 HydrophobicContact CB-CG 4.12Å; K40-E96 VanDerWaalsContact CD-OE1 3.32Å; K40-E96 WeakPolarHBondContact CD-OE1 3.24Å; K40-E96 HydrophobicContact CG-CG 4.42Å; K40-E96 IonicContact NZ-OE1 3.8Å; E96-F98 HydrophobicContact CB-CE2 4.34Å; E96-F98 HydrophobicContact CB-CZ 4.3Å; E96-F98 HydrophobicContact CG-CD1 4.43Å; E96-F98 HydrophobicContact CG-CE1 4.15Å; E96-F98 HydrophobicContact CG-CE2 4.4Å; E96-F98 HydrophobicContact CG-CZ 4.13Å
97V94.2Very high94Very high14 Ų1465.5 Ų65.59%0.08533%0.326CS..  trans-95.8105.6174.2-179.30000109R41 G43 L62 A102 I109R41-V97 HydrophobicContact CB-CB 4.45Å; R41-V97 HydrophobicContact CG-CB 4.15Å; R41-V97 HydrophobicContact CG-CG2 4.32Å; R41-V97 PolarHBondContact O-N 2.81Å; G43-V97 VanDerWaalsContact N-CG2 3.27Å; L62-V97 HydrophobicContact CD2-CG2 3.99Å; V97-A102 HydrophobicContact CG1-CB 3.98Å; V97-I109 HydrophobicContact CG2-CD1 3.98Å; V97-I109 HydrophobicContact CG2-CG1 4.39Å; V97-I109 HydrophobicContact CG2-CG2 4.34Å
98F90.5Very high94Very high106 Ų10663.3 Ų63.347%0.46532%0.32SS..  trans-78.4-17.8-179.7-69.2-74.6000114.5E96 P100 A115E96-F98 HydrophobicContact CB-CE2 4.34Å; E96-F98 HydrophobicContact CB-CZ 4.3Å; E96-F98 HydrophobicContact CG-CD1 4.43Å; E96-F98 HydrophobicContact CG-CE1 4.15Å; E96-F98 HydrophobicContact CG-CE2 4.4Å; E96-F98 HydrophobicContact CG-CZ 4.13Å; F98-P100 WeakPolarHBondContact O-CD 3.4Å; F98-A115 HydrophobicContact CE2-CB 3.89Å
99N89.8Confident93.8Very high89 Ų8963.5 Ų63.548%0.47632%0.321SS..  trans-87.4105.2175.8-179.60.6000109.6H101 A102N99-H101 PolarHBondContact O-N 2.73Å; N99-H101 VanDerWaalsContact O-N 3.16Å; N99-H101 PolarHBondContact OD1-N 2.72Å; N99-A102 HydrophobicContact CB-CB 4.27Å; N99-A102 WeakPolarHBondContact O-CB 3.2Å; N99-A102 PolarHBondContact O-N 3.39Å; N99-A102 VanDerWaalsContact O-N 3.15Å
100P84.4Confident93.5Very high94 Ų9458.4 Ų58.461%0.6130%0.302SS*.THydrogen-bonded Turntrans-64.9-21.3-177.628.3-35.7000113R41 F98R41-P100 PolarHBondContact NH1-O 3.13Å; F98-P100 WeakPolarHBondContact O-CD 3.4Å
101H90.5Very high93.1Very high157 Ų15764.7 Ų64.773%0.72734%0.335SS*.THydrogen-bonded Turntrans-911-179.4-55.7-66.1000113.6N99 T103N99-H101 PolarHBondContact O-N 2.73Å; N99-H101 VanDerWaalsContact O-N 3.16Å; N99-H101 PolarHBondContact OD1-N 2.72Å; H101-T103 PolarHBondContact O-N 2.92Å; H101-T103 VanDerWaalsContact O-N 3.11Å
102A91.3Very high92.4Very high17 Ų1766.6 Ų66.614%0.1434%0.344CS..  trans-64.8114.5176.700000110.4R41 V97 N99R41-A102 PolarHBondContact NH1-O 3.23Å; V97-A102 HydrophobicContact CG1-CB 3.98Å; N99-A102 HydrophobicContact CB-CB 4.27Å; N99-A102 WeakPolarHBondContact O-CB 3.2Å; N99-A102 PolarHBondContact O-N 3.39Å; N99-A102 VanDerWaalsContact O-N 3.15Å
103T93.3Very high91.7Very high136 Ų13676.3 Ų76.383%0.83439%0.387SS*.  trans-94.7-12.9178.154.90000113.4H101H101-T103 PolarHBondContact O-N 2.92Å; H101-T103 VanDerWaalsContact O-N 3.11Å
104R94.7Very high90.9Very high184 Ų18484.4 Ų84.469%0.69442%0.422SS*.SBendtrans-142.1157.117966.4-179.2179.9-163-0.4111.4T106R104-T106 HydrophobicContact CG-CG2 4.33Å
105F96Very high90.2Very high25 Ų2584.6 Ų84.611%0.1142%0.424CS..  trans-60.1139.6169.4-176.1-86.8000110.7W44 R45 Q60 G61 I109 F110W44-F105 WeakPolarHBondContact O-CE2 3.44Å; R45-F105 HydrophobicContact CB-CZ 4.21Å; Q60-F105 HydrophobicContact CB-CD1 4.27Å; Q60-F105 HydrophobicContact CB-CD2 4.3Å; Q60-F105 HydrophobicContact CB-CE1 4.22Å; Q60-F105 HydrophobicContact CB-CE2 4.2Å; Q60-F105 HydrophobicContact CB-CG 4.31Å; Q60-F105 HydrophobicContact CB-CZ 4.16Å; Q60-F105 HydrophobicContact CG-CD1 3.86Å; Q60-F105 HydrophobicContact CG-CE1 4.12Å; Q60-F105 HydrophobicContact CG-CG 4.13Å; Q60-F105 VanDerWaalsContact NE2-CD1 3.31Å; G61-F105 WeakPolarHBondContact O-CD2 3.34Å; F105-I109 HydrophobicContact CD2-CD1 4.11Å; F105-I109 HydrophobicContact CE2-CD1 4.43Å; F105-F110 HydrophobicContact CE2-CD2 4.23Å; F105-F110 AromaticContact CE2-CE2 3.66Å; F105-F110 HydrophobicContact CE2-CE2 3.66Å; F105-F110 AromaticContact CZ-CD2 3.83Å; F105-F110 HydrophobicContact CZ-CD2 3.83Å; F105-F110 AromaticContact CZ-CE2 3.63Å; F105-F110 HydrophobicContact CZ-CE2 3.63Å
106T94.6Very high89.9Confident52 Ų5287.7 Ų87.732%0.31945%0.447SS..  trans-140.7146170.556.10000109.6R104 S108 I109R104-T106 HydrophobicContact CG-CG2 4.33Å; T106-S108 PolarHBondContact O-N 3.48Å; T106-S108 PolarHBondContact OG1-OG 3.07Å; T106-I109 WeakPolarHBondContact O-CB 3.39Å; T106-I109 WeakPolarHBondContact O-CG1 3.42Å; T106-I109 PolarHBondContact O-N 2.76Å; T106-I109 VanDerWaalsContact O-N 3.13Å
107N92.7Very high89.8Confident105 Ų10587.2 Ų87.256%0.56145%0.448SS*.G310 helixtrans-59.3-22.1-179.8-73.8-28.8000113.2I109 F110 L111N107-I109 PolarHBondContact O-N 2.8Å; N107-F110 PolarHBondContact O-N 2.84Å; N107-L111 PolarHBondContact O-N 2.97Å
108S91.7Very high89.9Confident72 Ų7290.9 Ų90.950%0.50346%0.464SS..G310 helixtrans-61.3-23.8177.461.30000113.6T106 F110 L111 N112T106-S108 PolarHBondContact O-N 3.48Å; T106-S108 PolarHBondContact OG1-OG 3.07Å; S108-F110 PolarHBondContact O-N 3.14Å; S108-L111 PolarHBondContact O-N 2.77Å; S108-N112 PolarHBondContact O-N 2.82Å; S108-N112 VanDerWaalsContact O-N 3.12Å
109I92.3Very high90.1Very high15 Ų1592 Ų928%0.07747%0.471CS..G310 helixtrans-55.5-39.6172.4-64.1166.8000110.5L62 R95 V97 F105 T106 N107L62-I109 HydrophobicContact CD2-CD1 3.92Å; R95-I109 HydrophobicContact CB-CG2 4.01Å; R95-I109 WeakPolarHBondContact CD-O 3.25Å; R95-I109 PolarHBondContact NH1-O 2.93Å; V97-I109 HydrophobicContact CG2-CD1 3.98Å; V97-I109 HydrophobicContact CG2-CG1 4.39Å; V97-I109 HydrophobicContact CG2-CG2 4.34Å; F105-I109 HydrophobicContact CD2-CD1 4.11Å; F105-I109 HydrophobicContact CE2-CD1 4.43Å; T106-I109 WeakPolarHBondContact O-CB 3.39Å; T106-I109 WeakPolarHBondContact O-CG1 3.42Å; T106-I109 PolarHBondContact O-N 2.76Å; T106-I109 VanDerWaalsContact O-N 3.13Å; N107-I109 PolarHBondContact O-N 2.8Å
110F92.1Very high90.4Very high18 Ų1890.3 Ų90.38%0.07946%0.459CS..G310 helixtrans-87.2-7178.8-73.5-91.8000114.3R45 E93 R95 F105 N107 S108 T117R45-F110 HydrophobicContact CB-CE2 4.44Å; R45-F110 HydrophobicContact CB-CZ 4.46Å; R45-F110 HydrophobicContact CG-CE1 4.16Å; R45-F110 HydrophobicContact CG-CE2 3.96Å; R45-F110 HydrophobicContact CG-CZ 3.68Å; E93-F110 HydrophobicContact CB-CE1 3.83Å; E93-F110 HydrophobicContact CB-CZ 4.24Å; R95-F110 HydrophobicContact CG-CD1 4.18Å; R95-F110 HydrophobicContact CG-CE1 3.99Å; R95-F110 HydrophobicContact CG-CZ 4.46Å; R95-F110 PolarHBondContact NH1-O 2.8Å; R95-F110 VanDerWaalsContact NH1-O 3.08Å; F105-F110 HydrophobicContact CE2-CD2 4.23Å; F105-F110 AromaticContact CE2-CE2 3.66Å; F105-F110 HydrophobicContact CE2-CE2 3.66Å; F105-F110 AromaticContact CZ-CD2 3.83Å; F105-F110 HydrophobicContact CZ-CD2 3.83Å; F105-F110 AromaticContact CZ-CE2 3.63Å; F105-F110 HydrophobicContact CZ-CE2 3.63Å; N107-F110 PolarHBondContact O-N 2.84Å; S108-F110 PolarHBondContact O-N 3.14Å; F110-T117 HydrophobicContact CE1-CG2 4.34Å
111L90.4Very high90.9Very high134 Ų13488 Ų8870%0.70245%0.446SS*.THydrogen-bonded Turntrans-94.9-15.3174.6-59.8177.6000112.5N107 S108 K113N107-L111 PolarHBondContact O-N 2.97Å; S108-L111 PolarHBondContact O-N 2.77Å; L111-K113 PolarHBondContact O-N 2.76Å; L111-K113 VanDerWaalsContact O-N 3.1Å
112N82.1Confident91.2Very high58 Ų5880.7 Ų80.731%0.3141%0.412SS..  trans-66.1111177.9-173.1-15.4000110.7R95 S108 K114 A115R95-N112 PolarHBondContact NH1-O 2.76Å; S108-N112 PolarHBondContact O-N 2.82Å; S108-N112 VanDerWaalsContact O-N 3.12Å; N112-K114 PolarHBondContact O-N 2.8Å; N112-K114 WeakPolarHBondContact OD1-CB 3.39Å; N112-K114 PolarHBondContact OD1-N 2.91Å; N112-A115 HydrophobicContact CB-CB 4.34Å; N112-A115 PolarHBondContact O-N 3.14Å
113K82.4Confident91.5Very high208 Ų20884.5 Ų84.590%0.90443%0.425SS*.THydrogen-bonded Turntrans-67-18.8-178.9-64.5-174.6178.7-178.10114L111 A115L111-K113 PolarHBondContact O-N 2.76Å; L111-K113 VanDerWaalsContact O-N 3.1Å; K113-A115 VanDerWaalsContact C-N 3.32Å
114K79.8Confident91.7Very high188 Ų18878.2 Ų78.282%0.81739%0.387SS*.THydrogen-bonded Turntrans-78.3-18.5176-61.2-174.3178.6-176.70112.7N112N112-K114 PolarHBondContact O-N 2.8Å; N112-K114 WeakPolarHBondContact OD1-CB 3.39Å; N112-K114 PolarHBondContact OD1-N 2.91Å
115A81Confident91.8Very high8 Ų871.6 Ų71.67%0.06636%0.363CS..SBendtrans-91.1123.8-17700000110.7R95 F98 N112 K113R95-A115 HydrophobicContact CB-CB 4.38Å; R95-A115 HydrophobicContact CG-CB 4.47Å; R95-A115 PolarHBondContact NH1-O 2.86Å; F98-A115 HydrophobicContact CE2-CB 3.89Å; N112-A115 HydrophobicContact CB-CB 4.34Å; N112-A115 PolarHBondContact O-N 3.14Å; K113-A115 VanDerWaalsContact C-N 3.32Å
116T90.1Very high91.8Very high98 Ų9871.5 Ų71.560%0.60136%0.363SS*.PPolyproline II helixtrans-70.4131.5168-57.90000109.7R95 H118R95-T116 WeakPolarHBondContact CG-O 3.49Å; T116-H118 PolarHBondContact O-CD2 3.39Å
117T92.5Very high91.8Very high54 Ų5472.3 Ų72.333%0.33137%0.365SS..PPolyproline II helixtrans-79.6126.6167.5-53.40000109.3E93 R95 F110E93-T117 HydrophobicContact CB-CG2 4.19Å; E93-T117 HydrophobicContact CG-CG2 4.41Å; R95-T117 PolarHBondContact NE-OG1 2.85Å; R95-T117 PolarHBondContact NH2-OG1 2.84Å; F110-T117 HydrophobicContact CE1-CG2 4.34Å
118H94.9Very high91.6Very high90 Ų9076.3 Ų76.342%0.41737%0.372SS..EExtended strand (participates in β ladder)trans-105156.9166.1-60.2-93.5000109.7E93 Y94 T116E93-H118 WeakPolarHBondContact CA-O 3.49Å; Y94-H118 HydrophobicContact CD1-CB 4.05Å; Y94-H118 HydrophobicContact CD2-CB 3.83Å; Y94-H118 HydrophobicContact CE1-CB 3.57Å; Y94-H118 HydrophobicContact CE2-CB 3.36Å; Y94-H118 AromaticContact CE2-CG 3.9Å; Y94-H118 HydrophobicContact CG-CB 4.17Å; Y94-H118 PolarHBondContact N-O 2.91Å; Y94-H118 PolarHBondContact O-N 3.11Å; T116-H118 PolarHBondContact O-CD2 3.39Å
119Q95.2Very high91.6Very high131 Ų13176.5 Ų76.561%0.61237%0.365SS*.EExtended strand (participates in β ladder)trans-142.6141.7178.964.7-176.19.200111.5T91 I92T91-Q119 HydrophobicContact CG2-CB 3.95Å; I92-Q119 CarbonylContact O-C 3.57Å; I92-Q119 VanDerWaalsContact O-CA 3.28Å; I92-Q119 WeakPolarHBondContact O-CA 3.43Å
120K95.5Very high91.6Very high52 Ų5279.7 Ų79.723%0.22638%0.38CS..EExtended strand (participates in β ladder)trans-126.7135.8168.5-162.871.2165.9-164.90108.1E9 I10 L12 T91 I92E9-K120 IonicContact OE2-NZ 2.77Å; E9-K120 PolarHBondContact OE2-NZ 3.38Å; I10-K120 HydrophobicContact CD1-CB 3.93Å; I10-K120 HydrophobicContact CG1-CB 4.01Å; L12-K120 HydrophobicContact CD1-CB 4.14Å; L12-K120 HydrophobicContact CD1-CG 3.66Å; L12-K120 HydrophobicContact CG-CG 3.94Å; T91-K120 CarbonylContact C-O 3.57Å; T91-K120 WeakPolarHBondContact CA-O 3.39Å; I92-K120 PolarHBondContact N-O 3.16Å; I92-K120 PolarHBondContact O-N 2.89Å
121S95.6Very high91.6Very high47 Ų4783.2 Ų83.233%0.32940%0.397SS..EExtended strand (participates in β ladder)trans-115.4138.8-179.6-62.70000111I90 T91I90-S121 CarbonylContact O-C 3.5Å; I90-S121 WeakPolarHBondContact O-CA 3.2Å; T91-S121 PolarHBondContact OG1-OG 2.99Å
122L96.9Very high91.6Very high2 Ų280.2 Ų80.21%0.0138%0.379CS..EExtended strand (participates in β ladder)trans-106.2115.1170.5-178.467.3000108.1L12 P14 M18 C32 I73 R89 I90L12-L122 HydrophobicContact CD1-CB 4.22Å; P14-L122 HydrophobicContact CG-CD1 4.1Å; P14-L122 WeakPolarHBondContact O-CD1 3.46Å; M18-L122 HydrophobicContact CB-CD1 4.45Å; M18-L122 HydrophobicContact CB-CD2 3.88Å; M18-L122 HydrophobicContact CB-CG 4.19Å; M18-L122 HydrophobicContact CE-CD2 4.15Å; M18-L122 HydrophobicContact SD-CD2 4.47Å; C32-L122 HydrophobicContact CB-CD2 4.39Å; I73-L122 HydrophobicContact CD1-CD2 3.69Å; R89-L122 VanDerWaalsContact CA-O 3.25Å; R89-L122 WeakPolarHBondContact CA-O 3.34Å; R89-L122 WeakPolarHBondContact CB-O 3.26Å; I90-L122 PolarHBondContact N-O 3.1Å; I90-L122 PolarHBondContact O-N 2.91Å
123K97.6Very high92.2Very high98 Ų9881.6 Ų81.643%0.42638%0.384SS..EExtended strand (participates in β ladder)trans-69.2138.4176.1-173-174.6177.9-160.90109.8D16 K17 M18 E125D16-K123 WeakPolarHBondContact O-CB 2.96Å; D16-K123 PolarHBondContact O-N 3.18Å; K17-K123 CarbonylContact C-O 3.5Å; K17-K123 WeakPolarHBondContact CA-O 2.87Å; K17-K123 HydrophobicContact CB-CB 4.15Å; M18-K123 PolarHBondContact N-O 2.86Å; K123-E125 HydrophobicContact CD-CG 4.21Å; K123-E125 HydrophobicContact CG-CG 4.42Å; K123-E125 IonicContact NZ-OE1 3.19Å; K123-E125 PolarHBondContact NZ-OE1 3.01Å
124I98Very high92.9Very high4 Ų473.1 Ų73.12%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-100127171.8-54.6-54000108.5M18 F20 L54 D88 I90 Y126M18-I124 HydrophobicContact CB-CD1 4.07Å; M18-I124 WeakPolarHBondContact O-CA 3.38Å; F20-I124 HydrophobicContact CD2-CG2 3.83Å; F20-I124 HydrophobicContact CE2-CG2 4.2Å; L54-I124 HydrophobicContact CD1-CB 4.3Å; L54-I124 HydrophobicContact CD1-CG1 3.79Å; L54-I124 HydrophobicContact CD1-CG2 4.37Å; L54-I124 HydrophobicContact CD2-CG1 4.47Å; L54-I124 HydrophobicContact CD2-CG2 4.3Å; D88-I124 HydrophobicContact CB-CB 4.08Å; D88-I124 PolarHBondContact O-N 2.86Å; I90-I124 HydrophobicContact CG1-CD1 4.27Å; I124-Y126 HydrophobicContact CG2-CE1 4.04Å; I124-Y126 HydrophobicContact CG2-CE2 3.92Å
125E96.5Very high93.8Very high45 Ų4564.9 Ų64.921%0.2132%0.315CS..EExtended strand (participates in β ladder)trans-115.4142.8174.6-68.3-170.6168.500110K17 M18 C19 F20 K123K17-E125 VanDerWaalsContact CD-CD 3.49Å; K17-E125 HydrophobicContact CD-CG 4.32Å; K17-E125 WeakPolarHBondContact CD-OE2 3.31Å; K17-E125 WeakPolarHBondContact CE-OE2 3.18Å; K17-E125 IonicContact NZ-OE1 3.45Å; K17-E125 IonicContact NZ-OE2 3.87Å; K17-E125 PolarHBondContact NZ-OE2 2.8Å; M18-E125 PolarHBondContact O-N 3.41Å; C19-E125 CarbonylContact C-O 3.32Å; C19-E125 VanDerWaalsContact CA-O 3.25Å; C19-E125 WeakPolarHBondContact CA-O 3.45Å; F20-E125 PolarHBondContact N-O 2.75Å; K123-E125 HydrophobicContact CD-CG 4.21Å; K123-E125 HydrophobicContact CG-CG 4.42Å; K123-E125 IonicContact NZ-OE1 3.19Å; K123-E125 PolarHBondContact NZ-OE1 3.01Å
126Y96.7Very high94.8Very high23 Ų2369.3 Ų69.39%0.0934%0.335CS..EExtended strand (participates in β ladder)trans-115.2109.3-179.7-61.1-80.1000108.4F20 F24 R53 F78 L85 D88 I124F20-Y126 HydrophobicContact CB-CD1 4.21Å; F20-Y126 HydrophobicContact CB-CE1 4.44Å; F20-Y126 WeakPolarHBondContact O-CA 3.23Å; F24-Y126 AromaticContact CE1-CD1 3.88Å; F24-Y126 HydrophobicContact CE1-CD1 3.88Å; F24-Y126 HydrophobicContact CZ-CD1 4.16Å; R53-Y126 WeakPolarHBondContact CD-OH 3.47Å; F78-Y126 AromaticContact CE1-CD1 3.92Å; F78-Y126 HydrophobicContact CE1-CD1 3.92Å; F78-Y126 AromaticContact CE1-CE1 3.79Å; F78-Y126 HydrophobicContact CE1-CE1 3.79Å; F78-Y126 AromaticContact CZ-CD1 3.68Å; F78-Y126 HydrophobicContact CZ-CD1 3.68Å; F78-Y126 AromaticContact CZ-CE1 3.85Å; F78-Y126 HydrophobicContact CZ-CE1 3.85Å; F78-Y126 HydrophobicContact CZ-CG 4.24Å; L85-Y126 HydrophobicContact CB-CD2 4.01Å; L85-Y126 HydrophobicContact CD2-CD2 3.65Å; L85-Y126 HydrophobicContact CD2-CE2 4.04Å; L85-Y126 HydrophobicContact CD2-CG 3.93Å; L85-Y126 HydrophobicContact CG-CD2 4.27Å; D88-Y126 HydrophobicContact CB-CE2 4Å; D88-Y126 PolarHBondContact OD2-OH 2.81Å; D88-Y126 VanDerWaalsContact OD2-OH 3.11Å; I124-Y126 HydrophobicContact CG2-CE1 4.04Å; I124-Y126 HydrophobicContact CG2-CE2 3.92Å
127N94.6Very high95.2Very high68 Ų6866.9 Ų66.936%0.36431%0.312SS..EExtended strand (participates in β ladder)trans-86.8114177-64.8-23000108.2F20 N21 A22F20-N127 PolarHBondContact O-N 2.82Å; N21-N127 VanDerWaalsContact OD1-CB 3.31Å; N21-N127 WeakPolarHBondContact OD1-CB 3.48Å; N21-N127 PolarHBondContact OD1-ND2 3.46Å; A22-N127 WeakPolarHBondContact CB-O 3.46Å; A22-N127 PolarHBondContact N-O 2.72Å
128R88Confident95.4Very high189 Ų18968.1 Ų68.171%0.71331%0.311SS*.  trans-82.40178.6-62.9-178-178.5-159.2-7111.3A22 P80 E81A22-R128 WeakPolarHBondContact CB-OXT 3.3Å; P80-R128 PolarHBondContact O-NH2 3.13Å; E81-R128 IonicContact OE1-CZ 2.76Å; E81-R128 IonicContact OE1-NH1 2.78Å; E81-R128 PolarHBondContact OE1-NH1 2.81Å; E81-R128 IonicContact OE1-NH2 3.52Å; E81-R128 IonicContact OE2-NH1 2.79Å

Retrieved 128 of 128 residues in 347 ms (Link to these results)

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