A0A096LZ96_POEFO Loading...

Receptor-transporting protein 3-like

AlphaFold DB , UniProt , Accession A0A096LZ96, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 160 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
1M54.2Low88.9Confident206 Ų20679.3 Ų79.3100%1.01537%0.367SS*.  0-55.10-80.3-168.5-69.800111.8Q3 Q4 E5M1-Q3 PolarHBondContact O-N 3.31Å; M1-Q4 WeakPolarHBondContact O-CB 3.3Å; M1-Q4 PolarHBondContact O-N 3.25Å; M1-Q4 VanDerWaalsContact O-N 3.14Å; M1-E5 PolarHBondContact O-N 3.43Å
2E69.8Low89.4Confident90 Ų9076.6 Ų76.642%0.42137%0.369SS..Hα-helixtrans-57.4-44.4-177.2-67.4-176.917100114.4Q4 E5 W6 S102E2-Q4 PolarHBondContact O-N 3.31Å; E2-E5 PolarHBondContact O-N 2.83Å; E2-W6 PolarHBondContact O-N 3.45Å; E2-S102 WeakPolarHBondContact OE1-CA 3.41Å; E2-S102 WeakPolarHBondContact OE1-CB 3.38Å; E2-S102 PolarHBondContact OE1-OG 3.33Å
3Q86.8Confident89.8Confident91 Ų9174 Ų7443%0.42536%0.356SS..Hα-helixtrans-62.1-31.9179.9-65.5-175.8-23.900113.6M1 E5 W6 I7 F28M1-Q3 PolarHBondContact O-N 3.31Å; Q3-E5 VanDerWaalsContact C-N 3.31Å; Q3-W6 PolarHBondContact O-N 3.1Å; Q3-I7 WeakPolarHBondContact O-CG1 3.21Å; Q3-I7 PolarHBondContact O-N 2.71Å; Q3-I7 VanDerWaalsContact O-N 3.11Å; Q3-F28 HydrophobicContact CB-CD2 3.89Å; Q3-F28 HydrophobicContact CB-CE2 3.56Å; Q3-F28 HydrophobicContact CB-CZ 4.1Å; Q3-F28 HydrophobicContact CG-CD1 4.21Å; Q3-F28 HydrophobicContact CG-CD2 3.67Å; Q3-F28 HydrophobicContact CG-CE1 4.12Å; Q3-F28 HydrophobicContact CG-CE2 3.59Å; Q3-F28 HydrophobicContact CG-CG 3.98Å; Q3-F28 HydrophobicContact CG-CZ 3.81Å
4Q92.1Very high90Very high145 Ų14570.6 Ų70.668%0.67834%0.34SS*.Hα-helixtrans-69.3-34.7-179.2-164171.914.200111M1 E2 I7 R8M1-Q4 WeakPolarHBondContact O-CB 3.3Å; M1-Q4 PolarHBondContact O-N 3.25Å; M1-Q4 VanDerWaalsContact O-N 3.14Å; E2-Q4 PolarHBondContact O-N 3.31Å; Q4-I7 PolarHBondContact O-N 2.78Å; Q4-R8 WeakPolarHBondContact O-CB 3.45Å; Q4-R8 PolarHBondContact O-N 3Å
5E95.1Very high89.9Confident48 Ų4876.1 Ų76.122%0.22437%0.365CS..Hα-helixtrans-67.4-40.9175.7-175.965173.500111.8M1 E2 Q3 I7 R8 I9 S105 I108M1-E5 PolarHBondContact O-N 3.43Å; E2-E5 PolarHBondContact O-N 2.83Å; Q3-E5 VanDerWaalsContact C-N 3.31Å; E5-I7 VanDerWaalsContact C-N 3.35Å; E5-I7 PolarHBondContact O-N 3.03Å; E5-R8 VanDerWaalsContact CD-NH2 3.28Å; E5-R8 PolarHBondContact O-N 2.75Å; E5-R8 IonicContact OE1-CZ 3.71Å; E5-R8 IonicContact OE1-NE 3.86Å; E5-R8 IonicContact OE1-NH2 2.74Å; E5-R8 PolarHBondContact OE1-NH2 3.29Å; E5-R8 IonicContact OE2-CZ 3.43Å; E5-R8 IonicContact OE2-NE 2.79Å; E5-R8 PolarHBondContact OE2-NE 3.3Å; E5-R8 IonicContact OE2-NH2 3.22Å; E5-R8 PolarHBondContact OE2-NH2 2.84Å; E5-I9 HydrophobicContact CG-CD1 3.83Å; E5-I9 WeakPolarHBondContact O-CB 3.41Å; E5-I9 VanDerWaalsContact O-CG1 3.32Å; E5-I9 WeakPolarHBondContact O-CG1 3.48Å; E5-I9 PolarHBondContact O-N 3.4Å; E5-S105 PolarHBondContact OE1-OG 3.37Å; E5-I108 HydrophobicContact CG-CD1 4.06Å
6W97.4Very high89.8Confident6 Ų677.3 Ų77.32%0.02338%0.379CS..Hα-helixtrans-60-45.3173.6-7560.2000112E2 Q3 F10 L26 F28 V68 F70 V83 P85 V103 I108 L111 M112E2-W6 PolarHBondContact O-N 3.45Å; Q3-W6 PolarHBondContact O-N 3.1Å; W6-F10 WeakPolarHBondContact O-CB 3.45Å; W6-F10 PolarHBondContact O-N 3.17Å; W6-L26 HydrophobicContact CB-CD2 3.95Å; W6-F28 HydrophobicContact CB-CE2 3.97Å; W6-F28 HydrophobicContact CB-CZ 3.76Å; W6-F28 HydrophobicContact CD2-CE1 4.41Å; W6-F28 AromaticContact CD2-CZ 3.78Å; W6-F28 HydrophobicContact CD2-CZ 3.78Å; W6-F28 HydrophobicContact CE3-CZ 4.15Å; W6-F28 HydrophobicContact CG-CE2 4.32Å; W6-F28 AromaticContact CG-CZ 3.6Å; W6-F28 HydrophobicContact CG-CZ 3.6Å; W6-V68 HydrophobicContact CH2-CG1 4.06Å; W6-V68 HydrophobicContact CH2-CG2 4.32Å; W6-V68 HydrophobicContact CZ3-CG1 4.11Å; W6-F70 HydrophobicContact CZ3-CE1 4.39Å; W6-F70 HydrophobicContact CZ3-CZ 4.24Å; W6-V83 HydrophobicContact CE3-CG2 4.16Å; W6-V83 HydrophobicContact CZ3-CG2 3.73Å; W6-P85 HydrophobicContact CH2-CG 3.89Å; W6-P85 HydrophobicContact CZ2-CG 4.05Å; W6-P85 HydrophobicContact CZ3-CG 4.46Å; W6-V103 HydrophobicContact CZ2-CB 3.93Å; W6-V103 HydrophobicContact CZ2-CG1 4.27Å; W6-V103 HydrophobicContact CZ2-CG2 3.79Å; W6-I108 HydrophobicContact CB-CG2 4.39Å; W6-I108 HydrophobicContact CD2-CG1 4.33Å; W6-I108 HydrophobicContact CD2-CG2 3.98Å; W6-I108 HydrophobicContact CE3-CG2 4.46Å; W6-I108 HydrophobicContact CG-CD1 4.2Å; W6-I108 HydrophobicContact CG-CG1 4.45Å; W6-I108 HydrophobicContact CG-CG2 3.94Å; W6-I108 HydrophobicContact CZ2-CG1 4.12Å; W6-L111 HydrophobicContact CH2-CD1 3.36Å; W6-L111 HydrophobicContact CZ2-CD1 4.11Å; W6-L111 HydrophobicContact CZ3-CD1 3.91Å; W6-M112 HydrophobicContact CB-CE 4.18Å; W6-M112 HydrophobicContact CD2-CE 4Å; W6-M112 HydrophobicContact CE3-CE 3.25Å; W6-M112 HydrophobicContact CG-CE 4.41Å; W6-M112 HydrophobicContact CZ3-CE 3.88Å
7I96.9Very high89.5Confident57 Ų5774.1 Ų74.129%0.29236%0.363SS..Hα-helixtrans-64.4-44.9178.7-68.1165.7000110.3Q3 Q4 E5 F10 Q11Q3-I7 WeakPolarHBondContact O-CG1 3.21Å; Q3-I7 PolarHBondContact O-N 2.71Å; Q3-I7 VanDerWaalsContact O-N 3.11Å; Q4-I7 PolarHBondContact O-N 2.78Å; E5-I7 VanDerWaalsContact C-N 3.35Å; E5-I7 PolarHBondContact O-N 3.03Å; I7-F10 PolarHBondContact O-N 3.48Å; I7-Q11 HydrophobicContact CG2-CG 4.44Å; I7-Q11 WeakPolarHBondContact O-CB 3.4Å; I7-Q11 VanDerWaalsContact O-CG 3.27Å; I7-Q11 WeakPolarHBondContact O-CG 3.34Å; I7-Q11 PolarHBondContact O-N 3.22Å
8R96.4Very high89Confident124 Ų12476.5 Ų76.547%0.46838%0.378SS..Hα-helixtrans-60.1-49.7178.6-173.6-168.769.175.5-1.6111.9Q4 E5 Q11 A12Q4-R8 WeakPolarHBondContact O-CB 3.45Å; Q4-R8 PolarHBondContact O-N 3Å; E5-R8 VanDerWaalsContact CD-NH2 3.28Å; E5-R8 PolarHBondContact O-N 2.75Å; E5-R8 IonicContact OE1-CZ 3.71Å; E5-R8 IonicContact OE1-NE 3.86Å; E5-R8 IonicContact OE1-NH2 2.74Å; E5-R8 PolarHBondContact OE1-NH2 3.29Å; E5-R8 IonicContact OE2-CZ 3.43Å; E5-R8 IonicContact OE2-NE 2.79Å; E5-R8 PolarHBondContact OE2-NE 3.3Å; E5-R8 IonicContact OE2-NH2 3.22Å; E5-R8 PolarHBondContact OE2-NH2 2.84Å; R8-Q11 PolarHBondContact O-N 2.81Å; R8-A12 PolarHBondContact O-N 3.41Å
9I96.9Very high88.8Confident6 Ų677.5 Ų77.53%0.03138%0.377CS..Hα-helixtrans-64.9-42.9179-66.2167.5000110E5 Q11 A12 E13 I108 E109 M112E5-I9 HydrophobicContact CG-CD1 3.83Å; E5-I9 WeakPolarHBondContact O-CB 3.41Å; E5-I9 VanDerWaalsContact O-CG1 3.32Å; E5-I9 WeakPolarHBondContact O-CG1 3.48Å; E5-I9 PolarHBondContact O-N 3.4Å; I9-Q11 VanDerWaalsContact C-N 3.31Å; I9-Q11 PolarHBondContact O-N 3.11Å; I9-A12 PolarHBondContact O-N 3.04Å; I9-E13 HydrophobicContact CG2-CG 4.32Å; I9-E13 WeakPolarHBondContact O-CG 3.34Å; I9-E13 PolarHBondContact O-N 3.44Å; I9-I108 HydrophobicContact CB-CG2 4.23Å; I9-I108 HydrophobicContact CD1-CB 3.81Å; I9-I108 HydrophobicContact CD1-CG2 3.61Å; I9-I108 HydrophobicContact CG2-CG2 4.33Å; I9-E109 HydrophobicContact CD1-CG 4.06Å; I9-E109 HydrophobicContact CG1-CG 4.47Å; I9-E109 HydrophobicContact CG2-CB 4.47Å; I9-E109 HydrophobicContact CG2-CG 3.89Å; I9-M112 HydrophobicContact CB-CG 4.46Å; I9-M112 HydrophobicContact CG2-CB 4.05Å; I9-M112 HydrophobicContact CG2-CG 3.79Å
10F97.2Very high88.4Confident0 Ų083 Ų830%040%0.399CS..Hα-helixtrans-58.5-42.1175.7175.8-93.2000112.7W6 I7 E13 I14 W24 L26 V81 M112 L115 M116 I119W6-F10 WeakPolarHBondContact O-CB 3.45Å; W6-F10 PolarHBondContact O-N 3.17Å; I7-F10 PolarHBondContact O-N 3.48Å; F10-E13 PolarHBondContact O-N 3.31Å; F10-I14 HydrophobicContact CE2-CD1 4.48Å; F10-I14 HydrophobicContact CZ-CD1 4.02Å; F10-I14 PolarHBondContact O-N 2.98Å; F10-W24 HydrophobicContact CE1-CB 3.95Å; F10-W24 HydrophobicContact CZ-CB 3.92Å; F10-W24 HydrophobicContact CZ-CE3 4.46Å; F10-L26 HydrophobicContact CB-CB 4.18Å; F10-L26 HydrophobicContact CB-CD2 3.94Å; F10-L26 HydrophobicContact CD1-CB 3.68Å; F10-L26 HydrophobicContact CD2-CB 4.18Å; F10-L26 HydrophobicContact CD2-CD1 4.32Å; F10-L26 HydrophobicContact CE1-CB 4.07Å; F10-L26 HydrophobicContact CG-CB 3.74Å; F10-L26 HydrophobicContact CG-CD2 4.24Å; F10-L26 HydrophobicContact CG-CG 4.42Å; F10-L26 HydrophobicContact CZ-CB 4.47Å; F10-V81 HydrophobicContact CE2-CB 4.37Å; F10-V81 HydrophobicContact CE2-CG2 3.91Å; F10-V81 HydrophobicContact CZ-CB 4.48Å; F10-V81 HydrophobicContact CZ-CG2 3.98Å; F10-M112 HydrophobicContact CB-CE 4.39Å; F10-M112 HydrophobicContact CB-CG 4.4Å; F10-M112 HydrophobicContact CB-SD 3.9Å; F10-M112 HydrophobicContact CD2-SD 3.82Å; F10-M112 HydrophobicContact CG-SD 4.36Å; F10-L115 HydrophobicContact CD2-CD2 3.89Å; F10-L115 HydrophobicContact CE2-CD2 3.77Å; F10-M116 HydrophobicContact CD2-CE 3.81Å; F10-M116 HydrophobicContact CE2-CE 3.59Å; F10-M116 HydrophobicContact CZ-CE 4.48Å; F10-I119 HydrophobicContact CE2-CD1 4.28Å
11Q95.1Very high88.5Confident99 Ų9984.7 Ų84.746%0.46341%0.407SS..Hα-helixtrans-63.9-43.7176.9-75.8170.7-24.100111.6I7 R8 I9 E13 I14 E15I7-Q11 HydrophobicContact CG2-CG 4.44Å; I7-Q11 WeakPolarHBondContact O-CB 3.4Å; I7-Q11 VanDerWaalsContact O-CG 3.27Å; I7-Q11 WeakPolarHBondContact O-CG 3.34Å; I7-Q11 PolarHBondContact O-N 3.22Å; R8-Q11 PolarHBondContact O-N 2.81Å; I9-Q11 VanDerWaalsContact C-N 3.31Å; I9-Q11 PolarHBondContact O-N 3.11Å; Q11-E13 VanDerWaalsContact C-N 3.34Å; Q11-E13 PolarHBondContact O-N 2.86Å; Q11-I14 WeakPolarHBondContact O-CG2 3.42Å; Q11-I14 PolarHBondContact O-N 3.24Å; Q11-E15 WeakPolarHBondContact O-CG 3.32Å; Q11-E15 PolarHBondContact O-N 2.94Å
12A94.9Very high90.4Very high47 Ų4777.4 Ų77.439%0.38837%0.37SS..Hα-helixtrans-61.4-42.717500000111.9R8 I9R8-A12 PolarHBondContact O-N 3.41Å; I9-A12 PolarHBondContact O-N 3.04Å
13E94.3Very high91.6Very high43 Ų4377.4 Ų77.420%0.20138%0.376CS..Hα-helixtrans-69.2-39.5179.4-71.9-63.1144.100112.8I9 F10 Q11 E15 T16 M112 M116I9-E13 HydrophobicContact CG2-CG 4.32Å; I9-E13 WeakPolarHBondContact O-CG 3.34Å; I9-E13 PolarHBondContact O-N 3.44Å; F10-E13 PolarHBondContact O-N 3.31Å; Q11-E13 VanDerWaalsContact C-N 3.34Å; Q11-E13 PolarHBondContact O-N 2.86Å; E13-E15 VanDerWaalsContact C-N 3.29Å; E13-E15 PolarHBondContact O-N 2.92Å; E13-T16 WeakPolarHBondContact O-CB 3.3Å; E13-T16 PolarHBondContact O-N 3.29Å; E13-T16 VanDerWaalsContact O-N 3.13Å; E13-T16 PolarHBondContact O-OG1 3.22Å; E13-M112 HydrophobicContact CB-CB 4.26Å; E13-M112 HydrophobicContact CG-CB 3.76Å; E13-M116 HydrophobicContact CB-CE 4.39Å; E13-M116 HydrophobicContact CB-CG 3.85Å; E13-M116 HydrophobicContact CB-SD 4.16Å
14I92.5Very high92.1Very high26 Ų2674.3 Ų74.313%0.13336%0.361CS..Hα-helixtrans-67.8-31.4-179.3-156.494.7000112.2F10 Q11 T16 L17 W24 M116 I119F10-I14 HydrophobicContact CE2-CD1 4.48Å; F10-I14 HydrophobicContact CZ-CD1 4.02Å; F10-I14 PolarHBondContact O-N 2.98Å; Q11-I14 WeakPolarHBondContact O-CG2 3.42Å; Q11-I14 PolarHBondContact O-N 3.24Å; I14-T16 PolarHBondContact O-N 2.79Å; I14-L17 HydrophobicContact CD1-CD1 3.48Å; I14-L17 VanDerWaalsContact CD1-CD1 3.48Å; I14-L17 HydrophobicContact CD1-CG 4.44Å; I14-L17 HydrophobicContact CG1-CD1 3.91Å; I14-L17 HydrophobicContact CG1-CG 4.5Å; I14-L17 VanDerWaalsContact O-CB 3.31Å; I14-L17 WeakPolarHBondContact O-CB 3.49Å; I14-L17 PolarHBondContact O-N 2.86Å; I14-W24 HydrophobicContact CD1-CB 3.56Å; I14-W24 HydrophobicContact CD1-CD2 3.84Å; I14-W24 HydrophobicContact CD1-CG 3.35Å; I14-W24 HydrophobicContact CG1-CB 3.7Å; I14-W24 HydrophobicContact CG1-CG 3.78Å; I14-M116 HydrophobicContact CB-SD 4.29Å; I14-M116 HydrophobicContact CD1-CE 4.07Å; I14-M116 HydrophobicContact CD1-SD 3.72Å; I14-M116 HydrophobicContact CG1-SD 4.44Å; I14-I119 HydrophobicContact CD1-CD1 4.17Å
15E88.8Confident92.3Very high154 Ų15471.7 Ų71.772%0.7235%0.348SS*.Hα-helixtrans-59.3-29.5174.8-74.3174.2-169.900111.8Q11 E13 L17 N18Q11-E15 WeakPolarHBondContact O-CG 3.32Å; Q11-E15 PolarHBondContact O-N 2.94Å; E13-E15 VanDerWaalsContact C-N 3.29Å; E13-E15 PolarHBondContact O-N 2.92Å; E15-L17 PolarHBondContact O-N 3.42Å; E15-N18 PolarHBondContact O-N 3.07Å
16T88.1Confident92.4Very high94 Ų9469.9 Ų69.958%0.57734%0.34SS*.THydrogen-bonded Turntrans-68.8-20176.976.90000113.3E13 I14 N18E13-T16 WeakPolarHBondContact O-CB 3.3Å; E13-T16 PolarHBondContact O-N 3.29Å; E13-T16 VanDerWaalsContact O-N 3.13Å; E13-T16 PolarHBondContact O-OG1 3.22Å; I14-T16 PolarHBondContact O-N 2.79Å; T16-N18 PolarHBondContact O-N 2.79Å
17L85.1Confident92.3Very high23 Ų2373.1 Ų73.112%0.1236%0.356CS..THydrogen-bonded Turntrans-67.8-16.7176.7-65.2-175.4000112.7I14 E15 R19 M116 I119 R120I14-L17 HydrophobicContact CD1-CD1 3.48Å; I14-L17 VanDerWaalsContact CD1-CD1 3.48Å; I14-L17 HydrophobicContact CD1-CG 4.44Å; I14-L17 HydrophobicContact CG1-CD1 3.91Å; I14-L17 HydrophobicContact CG1-CG 4.5Å; I14-L17 VanDerWaalsContact O-CB 3.31Å; I14-L17 WeakPolarHBondContact O-CB 3.49Å; I14-L17 PolarHBondContact O-N 2.86Å; E15-L17 PolarHBondContact O-N 3.42Å; L17-R19 HydrophobicContact CB-CG 4.38Å; L17-R19 PolarHBondContact O-N 2.93Å; L17-R19 VanDerWaalsContact O-N 3.11Å; L17-M116 HydrophobicContact CD1-SD 3.94Å; L17-M116 HydrophobicContact CD2-CB 4.25Å; L17-M116 HydrophobicContact CD2-SD 4.43Å; L17-M116 HydrophobicContact CG-SD 4.07Å; L17-I119 HydrophobicContact CD1-CG2 4.29Å; L17-R120 HydrophobicContact CD2-CG 3.66Å
18N79.9Confident92.3Very high118 Ų11872.7 Ų72.763%0.63135%0.352SS*.  trans50.733.4179.3-163.929.3000114.3E15 T16E15-N18 PolarHBondContact O-N 3.07Å; T16-N18 PolarHBondContact O-N 2.79Å
19R85.6Confident92.3Very high95 Ų9568.2 Ų68.236%0.35834%0.337SS..  trans-100.472.6174.8-63.8-65.7-170.9162.1-0.1109.8L17 E21 H22 E126L17-R19 HydrophobicContact CB-CG 4.38Å; L17-R19 PolarHBondContact O-N 2.93Å; L17-R19 VanDerWaalsContact O-N 3.11Å; R19-E21 PolarHBondContact O-N 3.01Å; R19-E21 VanDerWaalsContact O-N 3.17Å; R19-H22 HydrophobicContact CB-CB 4.35Å; R19-H22 PolarHBondContact O-N 3.17Å; R19-E126 IonicContact CZ-OE1 3.73Å; R19-E126 IonicContact NE-OE1 3.5Å; R19-E126 IonicContact NH2-OE1 2.7Å; R19-E126 PolarHBondContact NH2-OE1 3.16Å
20K81.9Confident92Very high187 Ų18770.4 Ų70.481%0.81335%0.347SS*.THydrogen-bonded Turntrans-62.8-23.5-170.6-64.6-176.5-179.7-179.60113.8H22K20-H22 VanDerWaalsContact C-N 3.27Å
21E88.8Confident91.7Very high120 Ų12074.6 Ų74.656%0.56138%0.376SS*.THydrogen-bonded Turntrans-76-13.7176.869.3-80.7-170.500113.4R19R19-E21 PolarHBondContact O-N 3.01Å; R19-E21 VanDerWaalsContact O-N 3.17Å
22H94.1Very high91.5Very high52 Ų5270.1 Ų70.124%0.24136%0.356CS..  trans-114.2144.6-177.3-60.4153.9000112R19 K20 G77 Y124R19-H22 HydrophobicContact CB-CB 4.35Å; R19-H22 PolarHBondContact O-N 3.17Å; K20-H22 VanDerWaalsContact C-N 3.27Å; H22-G77 CarbonylContact C-O 3.53Å; H22-G77 WeakPolarHBondContact CA-O 3.44Å; H22-G77 WeakPolarHBondContact CB-O 3.41Å; H22-G77 WeakPolarHBondContact CD2-CA 3.29Å; H22-Y124 AromaticContact CE1-CE1 3.53Å; H22-Y124 AromaticContact ND1-CE1 3.22Å; H22-Y124 WeakPolarHBondContact ND1-CE1 3.38Å; H22-Y124 AromaticContact ND1-CZ 3.48Å; H22-Y124 PolarHBondContact ND1-OH 2.76Å
23T95.4Very high91.2Very high90 Ų9071.7 Ų71.755%0.55236%0.36SS*.EExtended strand (participates in β ladder)trans-111.9148.7174.959.60000110.1G77 G79T23-G77 PolarHBondContact N-O 2.57Å; T23-G79 WeakPolarHBondContact O-CA 3.39Å; T23-G79 PolarHBondContact O-N 3.2Å
24W97.3Very high90.7Very high26 Ų2669.9 Ų69.910%0.09835%0.352CS..EExtended strand (participates in β ladder)trans-138.5146.8175.6-74.780000110.6F10 I14 M72 L74 G79 V81 I119 C123 Y124F10-W24 HydrophobicContact CE1-CB 3.95Å; F10-W24 HydrophobicContact CZ-CB 3.92Å; F10-W24 HydrophobicContact CZ-CE3 4.46Å; I14-W24 HydrophobicContact CD1-CB 3.56Å; I14-W24 HydrophobicContact CD1-CD2 3.84Å; I14-W24 HydrophobicContact CD1-CG 3.35Å; I14-W24 HydrophobicContact CG1-CB 3.7Å; I14-W24 HydrophobicContact CG1-CG 3.78Å; W24-M72 HydrophobicContact CZ3-CB 4.46Å; W24-L74 HydrophobicContact CH2-CB 4.04Å; W24-L74 HydrophobicContact CZ2-CB 3.93Å; W24-L74 HydrophobicContact CZ2-CD1 3.91Å; W24-L74 HydrophobicContact CZ2-CD2 4.33Å; W24-L74 HydrophobicContact CZ2-CG 4.27Å; W24-G79 WeakPolarHBondContact CA-O 3.21Å; W24-V81 HydrophobicContact CE3-CG2 3.83Å; W24-V81 HydrophobicContact CZ3-CG2 3.79Å; W24-I119 HydrophobicContact CD2-CD1 4.46Å; W24-I119 HydrophobicContact CE3-CD1 4.03Å; W24-I119 HydrophobicContact CH2-CD1 4.39Å; W24-I119 HydrophobicContact CH2-CG1 4.23Å; W24-I119 HydrophobicContact CH2-CG2 3.72Å; W24-I119 HydrophobicContact CZ2-CG2 3.49Å; W24-I119 VanDerWaalsContact CZ2-CG2 3.49Å; W24-I119 HydrophobicContact CZ3-CD1 3.99Å; W24-I119 HydrophobicContact CZ3-CG1 4.19Å; W24-I119 HydrophobicContact CZ3-CG2 4.37Å; W24-C123 HydrophobicContact CH2-CB 4.11Å; W24-C123 HydrophobicContact CZ2-CB 4.28Å; W24-Y124 HydrophobicContact CZ2-CE2 4.2Å; W24-Y124 PolarHBondContact NE1-OH 3.08Å
25H96.1Very high90.2Very high90 Ų9074 Ų7442%0.41738%0.375SS..EExtended strand (participates in β ladder)trans-140.4155.5171.163.2-68.3000110.6G79 T80 V81H25-G79 PolarHBondContact CE1-O 2.92Å; H25-G79 PolarHBondContact N-O 3.34Å; H25-G79 PolarHBondContact ND1-O 3.48Å; H25-T80 PolarHBondContact CE1-OG1 2.94Å; H25-V81 PolarHBondContact O-N 3.44Å
26L97.6Very high90Very high10 Ų1072.4 Ų72.45%0.05237%0.371CS..EExtended strand (participates in β ladder)trans-112.8128.9177.8-177.476000108.9W6 F10 V81 V83 M112W6-L26 HydrophobicContact CB-CD2 3.95Å; F10-L26 HydrophobicContact CB-CB 4.18Å; F10-L26 HydrophobicContact CB-CD2 3.94Å; F10-L26 HydrophobicContact CD1-CB 3.68Å; F10-L26 HydrophobicContact CD2-CB 4.18Å; F10-L26 HydrophobicContact CD2-CD1 4.32Å; F10-L26 HydrophobicContact CE1-CB 4.07Å; F10-L26 HydrophobicContact CG-CB 3.74Å; F10-L26 HydrophobicContact CG-CD2 4.24Å; F10-L26 HydrophobicContact CG-CG 4.42Å; F10-L26 HydrophobicContact CZ-CB 4.47Å; L26-V81 CarbonylContact C-O 3.58Å; L26-V81 WeakPolarHBondContact CA-O 3.41Å; L26-V81 HydrophobicContact CD1-CB 3.73Å; L26-V81 HydrophobicContact CD1-CG1 3.55Å; L26-V83 HydrophobicContact CD1-CB 3.94Å; L26-V83 HydrophobicContact CD1-CG1 3.72Å; L26-V83 HydrophobicContact CD2-CG1 4.21Å; L26-V83 HydrophobicContact CG-CG1 3.93Å; L26-M112 HydrophobicContact CD2-CE 3.68Å
27E96.6Very high89.8Confident75 Ų7569.9 Ų69.935%0.3536%0.356SS..EExtended strand (participates in β ladder)trans-130.3146.7174.866.7180-173.900111.6T80 V81 K82 V83E27-T80 HydrophobicContact CG-CG2 4.48Å; E27-V81 PolarHBondContact N-O 2.84Å; E27-K82 HydrophobicContact CG-CG 3.8Å; E27-K82 CarbonylContact O-C 3.59Å; E27-K82 VanDerWaalsContact O-CA 3.31Å; E27-K82 WeakPolarHBondContact O-CA 2.9Å; E27-K82 WeakPolarHBondContact OE1-CE 3.46Å; E27-K82 VanDerWaalsContact OE1-CG 3.3Å; E27-K82 WeakPolarHBondContact OE1-CG 3.45Å; E27-K82 IonicContact OE1-NZ 3.77Å; E27-V83 WeakPolarHBondContact O-CG1 3.31Å; E27-V83 PolarHBondContact O-N 3.13Å
28F96.5Very high90Very high48 Ų4874.2 Ų74.221%0.21138%0.379CS..EExtended strand (participates in β ladder)trans-88.3125.4176.2-76-99.8000109.8Q3 W6 V83 P85Q3-F28 HydrophobicContact CB-CD2 3.89Å; Q3-F28 HydrophobicContact CB-CE2 3.56Å; Q3-F28 HydrophobicContact CB-CZ 4.1Å; Q3-F28 HydrophobicContact CG-CD1 4.21Å; Q3-F28 HydrophobicContact CG-CD2 3.67Å; Q3-F28 HydrophobicContact CG-CE1 4.12Å; Q3-F28 HydrophobicContact CG-CE2 3.59Å; Q3-F28 HydrophobicContact CG-CG 3.98Å; Q3-F28 HydrophobicContact CG-CZ 3.81Å; W6-F28 HydrophobicContact CB-CE2 3.97Å; W6-F28 HydrophobicContact CB-CZ 3.76Å; W6-F28 HydrophobicContact CD2-CE1 4.41Å; W6-F28 AromaticContact CD2-CZ 3.78Å; W6-F28 HydrophobicContact CD2-CZ 3.78Å; W6-F28 HydrophobicContact CE3-CZ 4.15Å; W6-F28 HydrophobicContact CG-CE2 4.32Å; W6-F28 AromaticContact CG-CZ 3.6Å; W6-F28 HydrophobicContact CG-CZ 3.6Å; F28-V83 WeakPolarHBondContact CA-O 3.36Å; F28-V83 HydrophobicContact CD1-CG1 3.87Å; F28-V83 HydrophobicContact CD2-CG1 4.11Å; F28-V83 HydrophobicContact CE1-CG1 3.89Å; F28-V83 HydrophobicContact CE2-CG1 4.12Å; F28-V83 HydrophobicContact CG-CG1 3.99Å; F28-V83 HydrophobicContact CZ-CG1 4.02Å; F28-P85 HydrophobicContact CE1-CG 4.11Å
29D95.1Very high90.4Very high29 Ų2977.3 Ų77.316%0.15539%0.392CS..  trans-132.2106.8179.5-177-11.1000109.9S31 I32 K82 V83 R84D29-S31 PolarHBondContact O-N 3.36Å; D29-S31 WeakPolarHBondContact OD1-CA 3.18Å; D29-S31 VanDerWaalsContact OD1-CB 3.29Å; D29-S31 WeakPolarHBondContact OD1-CB 3.18Å; D29-S31 PolarHBondContact OD1-N 3.07Å; D29-S31 PolarHBondContact OD1-OG 3.39Å; D29-S31 PolarHBondContact OD2-OG 3.29Å; D29-I32 HydrophobicContact CB-CD1 3.97Å; D29-I32 HydrophobicContact CB-CG1 3.76Å; D29-I32 WeakPolarHBondContact O-CD1 3.47Å; D29-I32 WeakPolarHBondContact O-CG1 3.44Å; D29-I32 PolarHBondContact O-N 2.99Å; D29-K82 HydrophobicContact CB-CB 4.26Å; D29-K82 HydrophobicContact CB-CD 4.2Å; D29-K82 HydrophobicContact CB-CG 4.33Å; D29-K82 WeakPolarHBondContact OD2-CD 3.3Å; D29-K82 WeakPolarHBondContact OD2-CE 3.45Å; D29-K82 IonicContact OD2-NZ 2.78Å; D29-K82 PolarHBondContact OD2-NZ 2.76Å; D29-V83 PolarHBondContact N-O 3.07Å; D29-V83 VanDerWaalsContact N-O 3.08Å; D29-R84 WeakPolarHBondContact O-CB 3.46Å
30E92.1Very high90.6Very high52 Ų5274.7 Ų74.724%0.24340%0.395CS..THydrogen-bonded Turntrans-75.2-8.4-178.9-58.3-65.9163.900112.8R84 R87 K100E30-R84 PolarHBondContact O-NE 3.39Å; E30-R84 PolarHBondContact O-NH1 3.22Å; E30-R87 VanDerWaalsContact CD-NH2 3.33Å; E30-R87 IonicContact OE2-CZ 2.75Å; E30-R87 IonicContact OE2-NE 3.13Å; E30-R87 IonicContact OE2-NH2 3.31Å; E30-R87 PolarHBondContact OE2-NH2 3.33Å; E30-K100 VanDerWaalsContact OE1-CE 3.22Å; E30-K100 WeakPolarHBondContact OE1-CE 3.38Å; E30-K100 IonicContact OE1-NZ 3.98Å; E30-K100 PolarHBondContact OE1-NZ 3.46Å
31S91.1Very high91.3Very high88 Ų8867.6 Ų67.662%0.61536%0.363SS*.THydrogen-bonded Turntrans-88.3-8.2177.876.90000113.1D29 V33D29-S31 PolarHBondContact O-N 3.36Å; D29-S31 WeakPolarHBondContact OD1-CA 3.18Å; D29-S31 VanDerWaalsContact OD1-CB 3.29Å; D29-S31 WeakPolarHBondContact OD1-CB 3.18Å; D29-S31 PolarHBondContact OD1-N 3.07Å; D29-S31 PolarHBondContact OD1-OG 3.39Å; D29-S31 PolarHBondContact OD2-OG 3.29Å; S31-V33 PolarHBondContact O-N 3.48Å
32I90.6Very high91.6Very high6 Ų666.8 Ų66.83%0.03136%0.358CS..  trans-56124.7-179.4-61.9171.9000110.5D29 V69 K82 R84D29-I32 HydrophobicContact CB-CD1 3.97Å; D29-I32 HydrophobicContact CB-CG1 3.76Å; D29-I32 WeakPolarHBondContact O-CD1 3.47Å; D29-I32 WeakPolarHBondContact O-CG1 3.44Å; D29-I32 PolarHBondContact O-N 2.99Å; I32-V69 HydrophobicContact CG2-CB 4.26Å; I32-V69 HydrophobicContact CG2-CG1 3.5Å; I32-V69 VanDerWaalsContact CG2-CG1 3.5Å; I32-K82 HydrophobicContact CD1-CB 3.52Å; I32-K82 HydrophobicContact CG1-CB 4.18Å; I32-R84 HydrophobicContact CB-CB 4.24Å; I32-R84 HydrophobicContact CD1-CB 3.93Å; I32-R84 PolarHBondContact O-NH1 3.41Å
33V87.1Confident91.6Very high79 Ų7965.9 Ų65.948%0.47936%0.355SS..  trans-98120.3170.5-178.70000108.9S31 N35 N36 H71S31-V33 PolarHBondContact O-N 3.48Å; V33-N35 VanDerWaalsContact C-N 3.34Å; V33-N35 PolarHBondContact O-N 3.35Å; V33-N36 HydrophobicContact CB-CB 4.34Å; V33-N36 HydrophobicContact CG1-CB 4.01Å; V33-N36 PolarHBondContact O-N 3.18Å; V33-H71 PolarHBondContact O-CE1 3.11Å; V33-H71 VanDerWaalsContact O-CE1 3.27Å; V33-H71 PolarHBondContact O-NE2 3.48Å
34P84.8Confident91.6Very high5 Ų562.2 Ų62.23%0.03233%0.332CS..THydrogen-bonded Turntrans-52.7-42.2-170.2-26.529.3000116.2T43 L45 V69 L154 I156P34-T43 WeakPolarHBondContact O-CG2 3.31Å; P34-L45 HydrophobicContact CB-CD2 4.12Å; P34-V69 HydrophobicContact CB-CG1 4.35Å; P34-V69 HydrophobicContact CB-CG2 4.16Å; P34-V69 HydrophobicContact CG-CG2 3.89Å; P34-L154 HydrophobicContact CG-CD1 3.99Å; P34-I156 HydrophobicContact CB-CD1 3.82Å; P34-I156 HydrophobicContact CB-CG2 3.76Å; P34-I156 HydrophobicContact CG-CD1 3.72Å; P34-I156 HydrophobicContact CG-CG1 4.43Å; P34-I156 HydrophobicContact CG-CG2 4.24Å
35N81.1Confident91.5Very high114 Ų11463.6 Ų63.661%0.6134%0.341SS*.THydrogen-bonded Turntrans-108.513.1-170.7-65.5-25.8000113.1V33V33-N35 VanDerWaalsContact C-N 3.34Å; V33-N35 PolarHBondContact O-N 3.35Å
36N84.6Confident91.4Very high119 Ų11960.8 Ų60.864%0.63633%0.326SS*.  trans-138.364.8-178.1-16523.7000111.1V33V33-N36 HydrophobicContact CB-CB 4.34Å; V33-N36 HydrophobicContact CG1-CB 4.01Å; V33-N36 PolarHBondContact O-N 3.18Å
37P85.4Confident91.3Very high42 Ų4262.5 Ų62.527%0.27333%0.334SS..PPolyproline II helixtrans-66.1142.6175.630-35.7000111.1W41 T43 H71P37-W41 HydrophobicContact CB-CB 3.94Å; P37-T43 WeakPolarHBondContact CG-OG1 3.22Å; P37-H71 VanDerWaalsContact CA-CE1 3.42Å; P37-H71 WeakPolarHBondContact CA-CE1 3.39Å
38N87.6Confident91.3Very high114 Ų11459 Ų5961%0.6132%0.317SS*.PPolyproline II helixtrans-56.4153.8169.4-70.5-22.4000110.5G40 W41N38-G40 PolarHBondContact O-N 3.27Å; N38-W41 HydrophobicContact CB-CG 4.45Å; N38-W41 VanDerWaalsContact O-CB 3.3Å; N38-W41 WeakPolarHBondContact O-CB 3.21Å; N38-W41 PolarHBondContact O-N 3.3Å
39M88.3Confident91.3Very high182 Ų18256.7 Ų56.790%0.89731%0.307SS*.THydrogen-bonded Turntrans-52.1132.2-179.4-171.6178.8-73.100112W41M39-W41 VanDerWaalsContact C-N 3.29Å; M39-W41 PolarHBondContact O-N 3.38Å
40G90.9Very high91.4Very high40 Ų4055.3 Ų55.341%0.41230%0.3SS..THydrogen-bonded Turntrans84.6-10.7-178.300000115.1N38 R73N38-G40 PolarHBondContact O-N 3.27Å; G40-R73 WeakPolarHBondContact O-CG 3.36Å
41W95.3Very high91.6Very high39 Ų3958.1 Ų58.115%0.14831%0.308CS..  trans-84.8147.6172-66.378.3000111.2P37 N38 M39 H71 R73 T80 K82P37-W41 HydrophobicContact CB-CB 3.94Å; N38-W41 HydrophobicContact CB-CG 4.45Å; N38-W41 VanDerWaalsContact O-CB 3.3Å; N38-W41 WeakPolarHBondContact O-CB 3.21Å; N38-W41 PolarHBondContact O-N 3.3Å; M39-W41 VanDerWaalsContact C-N 3.29Å; M39-W41 PolarHBondContact O-N 3.38Å; W41-H71 HydrophobicContact CD2-CB 4.44Å; W41-H71 HydrophobicContact CE3-CB 3.71Å; W41-H71 HydrophobicContact CZ3-CB 4.29Å; W41-H71 WeakPolarHBondContact CZ3-O 3.22Å; W41-R73 HydrophobicContact CD2-CB 3.77Å; W41-R73 HydrophobicContact CE3-CB 3.73Å; W41-R73 HydrophobicContact CG-CB 4.23Å; W41-R73 HydrophobicContact CH2-CB 4.48Å; W41-R73 HydrophobicContact CZ2-CB 4.5Å; W41-R73 HydrophobicContact CZ3-CB 4.1Å; W41-T80 HydrophobicContact CH2-CG2 3.7Å; W41-T80 HydrophobicContact CZ3-CG2 4.23Å; W41-K82 HydrophobicContact CH2-CD 3.68Å; W41-K82 HydrophobicContact CH2-CG 3.76Å; W41-K82 HydrophobicContact CZ2-CD 4.21Å; W41-K82 HydrophobicContact CZ3-CB 4.34Å; W41-K82 HydrophobicContact CZ3-CD 3.95Å; W41-K82 HydrophobicContact CZ3-CG 3.82Å
42K95.1Very high91.9Very high103 Ų10354.1 Ų54.145%0.44828%0.28SS..EExtended strand (participates in β ladder)trans-113.1135.5177.1-52-63.1-175.3179.40109H71 M72 K122K42-H71 CarbonylContact O-C 3.38Å; K42-H71 WeakPolarHBondContact O-CA 3.41Å; K42-M72 HydrophobicContact CB-CG 3.88Å; K42-M72 PolarHBondContact N-O 3.26Å; K42-M72 PolarHBondContact O-N 3.08Å; K42-K122 HydrophobicContact CB-CB 4.06Å; K42-K122 HydrophobicContact CB-CD 4.17Å; K42-K122 HydrophobicContact CG-CB 4.16Å
43T95.2Very high92.2Very high32 Ų3256.5 Ų56.520%0.19630%0.297CS..EExtended strand (participates in β ladder)trans-93.7141.9179-58.40000111.6P34 P37 L45 F70 H71 K122P34-T43 WeakPolarHBondContact O-CG2 3.31Å; P37-T43 WeakPolarHBondContact CG-OG1 3.22Å; T43-L45 HydrophobicContact CG2-CD2 4.07Å; T43-L45 HydrophobicContact CG2-CG 4.12Å; T43-F70 WeakPolarHBondContact CA-O 3.39Å; T43-H71 PolarHBondContact OG1-CD2 3.17Å; T43-H71 PolarHBondContact OG1-NE2 2.8Å; T43-K122 WeakPolarHBondContact O-CE 3.33Å; T43-K122 PolarHBondContact O-NZ 3Å
44Y95Very high92.7Very high14 Ų1453 Ų536%0.05528%0.276CS..EExtended strand (participates in β ladder)trans-137128.4164171-132.1000109.9R46 F70 M72 N114 L115 K118Y44-R46 HydrophobicContact CE1-CB 4.04Å; Y44-R46 HydrophobicContact CE2-CB 4.21Å; Y44-R46 WeakPolarHBondContact OH-CD 3.42Å; Y44-R46 VanDerWaalsContact OH-CG 3.28Å; Y44-R46 WeakPolarHBondContact OH-CG 3.29Å; Y44-F70 HydrophobicContact CD1-CB 4.33Å; Y44-F70 AromaticContact CD1-CD2 3.66Å; Y44-F70 HydrophobicContact CD1-CD2 3.66Å; Y44-F70 HydrophobicContact CD1-CE2 4.28Å; Y44-F70 HydrophobicContact CD1-CG 4.22Å; Y44-F70 HydrophobicContact CE1-CD2 4.14Å; Y44-F70 HydrophobicContact CE1-CE2 4.32Å; Y44-F70 HydrophobicContact CG-CD2 4.45Å; Y44-F70 PolarHBondContact N-O 2.97Å; Y44-F70 PolarHBondContact O-N 2.73Å; Y44-M72 HydrophobicContact CD1-CE 4.33Å; Y44-M72 HydrophobicContact CG-CE 4.28Å; Y44-N114 HydrophobicContact CE1-CB 4.41Å; Y44-N114 VanDerWaalsContact OH-CB 3.26Å; Y44-N114 WeakPolarHBondContact OH-CB 3.48Å; Y44-L115 HydrophobicContact CD1-CD1 4.09Å; Y44-K118 HydrophobicContact CD1-CB 4.09Å; Y44-K118 HydrophobicContact CD1-CG 3.87Å; Y44-K118 HydrophobicContact CD2-CB 4.44Å; Y44-K118 HydrophobicContact CD2-CD 4.14Å; Y44-K118 HydrophobicContact CD2-CG 3.64Å; Y44-K118 HydrophobicContact CE1-CB 4.44Å; Y44-K118 HydrophobicContact CE1-CG 3.88Å; Y44-K118 HydrophobicContact CE2-CD 4.18Å; Y44-K118 HydrophobicContact CE2-CG 3.66Å; Y44-K118 HydrophobicContact CG-CB 4.07Å; Y44-K118 HydrophobicContact CG-CG 3.74Å
45L94.9Very high93.1Very high54 Ų5457.9 Ų57.928%0.28330%0.302SS..EExtended strand (participates in β ladder)trans-111.6133.5176.6-58.1178.9000108.9P34 T43 M67 V69 I156P34-L45 HydrophobicContact CB-CD2 4.12Å; T43-L45 HydrophobicContact CG2-CD2 4.07Å; T43-L45 HydrophobicContact CG2-CG 4.12Å; L45-M67 HydrophobicContact CB-CE 4.05Å; L45-V69 HydrophobicContact CD2-CB 4.06Å; L45-V69 HydrophobicContact CD2-CG1 3.75Å; L45-V69 HydrophobicContact CD2-CG2 3.86Å; L45-I156 HydrophobicContact CD1-CB 4.22Å; L45-I156 HydrophobicContact CD1-CD1 4.4Å; L45-I156 HydrophobicContact CD1-CG2 4.26Å; L45-I156 HydrophobicContact CD2-CD1 4.2Å
46R95.3Very high93.7Very high31 Ų3157 Ų5712%0.11731%0.305CS..EExtended strand (participates in β ladder)trans-140.5143.5176.4-165.954.3175.6168.47111.9Y44 V68 F70 L111 N132 K133Y44-R46 HydrophobicContact CE1-CB 4.04Å; Y44-R46 HydrophobicContact CE2-CB 4.21Å; Y44-R46 WeakPolarHBondContact OH-CD 3.42Å; Y44-R46 VanDerWaalsContact OH-CG 3.28Å; Y44-R46 WeakPolarHBondContact OH-CG 3.29Å; R46-V68 PolarHBondContact N-O 2.83Å; R46-V68 PolarHBondContact O-N 3.22Å; R46-F70 HydrophobicContact CB-CE2 4.44Å; R46-L111 HydrophobicContact CB-CD2 3.88Å; R46-L111 HydrophobicContact CG-CD2 3.74Å; R46-N132 PolarHBondContact NH2-O 3.4Å; R46-K133 PolarHBondContact NH2-O 2.78Å
47K95.1Very high94.2Very high47 Ų4754 Ų5420%0.20429%0.292CS..EExtended strand (participates in β ladder)trans-85.4145.217165.3179.1-178.2178.10111V66 M67K47-V66 CarbonylContact C-O 3.56Å; K47-V66 WeakPolarHBondContact CA-O 3.28Å; K47-M67 HydrophobicContact CB-SD 4.15Å
48T96.3Very high94.7Very high0 Ų059.1 Ų59.10%031%0.31CS..EExtended strand (participates in β ladder)trans-140.2171.5171.1-161.90000110.9N64 V66 V68 V103 L111T48-N64 CarbonylContact O-C 3.55Å; T48-V66 HydrophobicContact CG2-CB 4.02Å; T48-V66 HydrophobicContact CG2-CG1 4.26Å; T48-V66 PolarHBondContact N-O 3.02Å; T48-V66 PolarHBondContact O-N 3.36Å; T48-V68 HydrophobicContact CG2-CG2 3.71Å; T48-V103 HydrophobicContact CG2-CG1 4.3Å; T48-V103 HydrophobicContact CG2-CG2 4.18Å; T48-L111 HydrophobicContact CG2-CD1 4.05Å
49S96.8Very high95Very high0 Ų056.2 Ų56.20%029%0.291CS..EExtended strand (participates in β ladder)trans-105.6137.2171.4-43.40000110.7S63 N64 N107 R136S49-S63 CarbonylContact C-O 3.57Å; S49-S63 VanDerWaalsContact CA-O 3.22Å; S49-S63 WeakPolarHBondContact CA-O 3.2Å; S49-N64 VanDerWaalsContact CB-OD1 3.26Å; S49-N64 WeakPolarHBondContact CB-OD1 3.26Å; S49-N64 PolarHBondContact OG-OD1 2.91Å; S49-N64 VanDerWaalsContact OG-OD1 3.1Å; S49-N107 WeakPolarHBondContact CB-ND2 3.16Å; S49-N107 PolarHBondContact O-ND2 2.9Å; S49-N107 VanDerWaalsContact O-ND2 3.08Å; S49-R136 WeakPolarHBondContact CB-O 3.05Å; S49-R136 PolarHBondContact OG-O 2.88Å
50A96.9Very high95.4Very high1 Ų151.2 Ų51.21%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-150.3165.6-176.400000111.7P62 S63 V66 P101 S102 V103 L138A50-P62 CarbonylContact O-C 3.56Å; A50-P62 WeakPolarHBondContact O-CA 3.41Å; A50-S63 PolarHBondContact N-O 3.29Å; A50-S63 PolarHBondContact O-N 2.84Å; A50-V66 HydrophobicContact CB-CB 4.4Å; A50-V66 HydrophobicContact CB-CG2 3.78Å; A50-P101 HydrophobicContact CB-CB 3.51Å; A50-S102 WeakPolarHBondContact CA-O 3.39Å; A50-S102 WeakPolarHBondContact CB-O 3.37Å; A50-V103 HydrophobicContact CB-CG2 3.79Å; A50-L138 WeakPolarHBondContact O-CD1 3.31Å
51R97.1Very high95.6Very high111 Ų11150.4 Ų50.442%0.41926%0.258SS..EExtended strand (participates in β ladder)trans-106150.7168.6-70.4-177.1145.188.63.7110.8W61 P62 S102 E104 L138R51-W61 WeakPolarHBondContact CA-O 3.2Å; R51-P62 HydrophobicContact CG-CB 4.39Å; R51-S102 PolarHBondContact N-O 3.37Å; R51-S102 WeakPolarHBondContact O-CB 3.3Å; R51-S102 PolarHBondContact O-N 3.07Å; R51-E104 IonicContact NH1-OE1 3.04Å; R51-E104 PolarHBondContact NH1-OE1 2.9Å; R51-L138 HydrophobicContact CG-CD1 3.92Å
52F96.8Very high95.7Very high3 Ų350.2 Ų50.21%0.01326%0.262CS..EExtended strand (participates in β ladder)trans-121.9149.7172.5-61.2-89.5000109S60 W61 V66 Q88 V99 P101F52-S60 CarbonylContact O-C 3.54Å; F52-S60 WeakPolarHBondContact O-CA 3.42Å; F52-S60 WeakPolarHBondContact O-CB 3.34Å; F52-W61 HydrophobicContact CB-CD2 3.78Å; F52-W61 HydrophobicContact CB-CE3 4.11Å; F52-W61 HydrophobicContact CB-CG 4.42Å; F52-W61 HydrophobicContact CB-CH2 3.73Å; F52-W61 HydrophobicContact CB-CZ2 3.38Å; F52-W61 HydrophobicContact CB-CZ3 4.07Å; F52-W61 AromaticContact CD2-CD1 3.98Å; F52-W61 HydrophobicContact CD2-CZ2 4.46Å; F52-W61 AromaticContact CD2-NE1 3.52Å; F52-W61 AromaticContact CG-CE2 3.86Å; F52-W61 AromaticContact CG-CZ2 3.9Å; F52-W61 HydrophobicContact CG-CZ2 3.9Å; F52-W61 AromaticContact CG-NE1 3.85Å; F52-W61 PolarHBondContact N-O 3.5Å; F52-W61 PolarHBondContact O-N 3.4Å; F52-V66 HydrophobicContact CE2-CG2 3.64Å; F52-V66 HydrophobicContact CZ-CG1 4.37Å; F52-V66 HydrophobicContact CZ-CG2 3.55Å; F52-Q88 HydrophobicContact CD1-CB 4.01Å; F52-Q88 HydrophobicContact CD2-CB 4.3Å; F52-Q88 HydrophobicContact CD2-CG 4.4Å; F52-Q88 HydrophobicContact CE1-CB 3.8Å; F52-Q88 HydrophobicContact CE1-CG 3.88Å; F52-Q88 HydrophobicContact CE2-CB 4.12Å; F52-Q88 HydrophobicContact CE2-CG 3.76Å; F52-Q88 HydrophobicContact CG-CB 4.24Å; F52-Q88 HydrophobicContact CZ-CB 3.86Å; F52-Q88 HydrophobicContact CZ-CG 3.46Å; F52-Q88 VanDerWaalsContact CZ-CG 3.46Å; F52-V99 HydrophobicContact CB-CG2 4.13Å; F52-V99 HydrophobicContact CD1-CG2 4.09Å; F52-P101 HydrophobicContact CD1-CB 4.28Å; F52-P101 HydrophobicContact CE1-CB 3.57Å; F52-P101 HydrophobicContact CE1-CG 4.27Å; F52-P101 HydrophobicContact CZ-CB 3.71Å
53S96.9Very high95.7Very high57 Ų5745.7 Ų45.740%0.39924%0.243SC..EExtended strand (participates in β ladder)trans-129125.5173.2-176.50000109.5N55S53-N55 PolarHBondContact O-N 2.98Å
54C96.6Very high95.7Very high4 Ų445.9 Ų45.93%0.02724%0.243CC..  trans-74.1123.2178.5-177.10000110.1S56 C57 K58 R59 W61 C90C54-S56 PolarHBondContact O-N 2.72Å; C54-S56 PolarHBondContact SG-N 3.5Å; C54-C57 PolarHBondContact SG-N 2.95Å; C54-K58 VanDerWaalsContact O-CA 3.25Å; C54-K58 WeakPolarHBondContact O-CA 3.38Å; C54-K58 PolarHBondContact O-N 3.19Å; C54-R59 WeakPolarHBondContact CB-O 3.3Å; C54-R59 PolarHBondContact N-O 2.85Å; C54-W61 HydrophobicContact CB-CH2 4.47Å; C54-W61 HydrophobicContact CB-CZ3 3.93Å; C54-C90 HydrophobicContact CB-CB 3.84Å; C54-C90 VanDerWaalsContact SG-CB 3.52Å
55N93.3Very high95.6Very high108 Ų10846.2 Ų46.258%0.57825%0.246SC*.THydrogen-bonded Turntrans-60.7-33.3176.8-66.1-21000112.8S53 K58S53-N55 PolarHBondContact O-N 2.98Å; N55-K58 PolarHBondContact O-NZ 3.33Å
56S94.4Very high95.6Very high97 Ų9743.8 Ų43.868%0.67823%0.233SC*.THydrogen-bonded Turntrans-83.6-58.5-175.5-47.40000113.5C54C54-S56 PolarHBondContact O-N 2.72Å; C54-S56 PolarHBondContact SG-N 3.5Å
57C95.9Very high95.7Very high56 Ų5642.9 Ų42.938%0.37823%0.23SC..THydrogen-bonded Turntrans-101.23.7-174.368.80000114.6C54 R59 C90 C93C54-C57 PolarHBondContact SG-N 2.95Å; C57-R59 PolarHBondContact O-N 3.25Å; C57-R59 VanDerWaalsContact SG-CB 3.6Å; C57-C90 VanDerWaalsContact SG-SG 3.61Å; C57-C93 VanDerWaalsContact CB-SG 3.57Å; C57-C93 PolarHBondContact SG-SG 3.2Å
58K94.8Very high95.8Very high148 Ų14840.6 Ų40.664%0.64322%0.221SC*.  trans58.66.3-179.5-49.3-52.8-174.9-167.30115.8C54 N55 S60C54-K58 VanDerWaalsContact O-CA 3.25Å; C54-K58 WeakPolarHBondContact O-CA 3.38Å; C54-K58 PolarHBondContact O-N 3.19Å; N55-K58 PolarHBondContact O-NZ 3.33Å; K58-S60 PolarHBondContact O-N 2.98Å
59R95Very high95.8Very high54 Ų5440.6 Ų40.620%0.20422%0.221CC..  trans-61.2132.4171.1177.2175.1171.7-103.9-2.7109.5C54 C57 W61C54-R59 WeakPolarHBondContact CB-O 3.3Å; C54-R59 PolarHBondContact N-O 2.85Å; C57-R59 PolarHBondContact O-N 3.25Å; C57-R59 VanDerWaalsContact SG-CB 3.6Å; R59-W61 HydrophobicContact CG-CE3 4.42Å; R59-W61 WeakPolarHBondContact O-CZ3 3.44Å
60S95.5Very high95.8Very high76 Ų7640.6 Ų40.653%0.53122%0.221SC..EExtended strand (participates in β ladder)trans-107.4148.9169.1-58.70000111.4F52 K58F52-S60 CarbonylContact O-C 3.54Å; F52-S60 WeakPolarHBondContact O-CA 3.42Å; F52-S60 WeakPolarHBondContact O-CB 3.34Å; K58-S60 PolarHBondContact O-N 2.98Å
61W96.3Very high95.8Very high23 Ų2341.1 Ų41.19%0.08722%0.223CC..EExtended strand (participates in β ladder)trans-147.8142.3174.365.598.7000111.6R51 F52 C54 R59 Q88 C90 V99R51-W61 WeakPolarHBondContact CA-O 3.2Å; F52-W61 HydrophobicContact CB-CD2 3.78Å; F52-W61 HydrophobicContact CB-CE3 4.11Å; F52-W61 HydrophobicContact CB-CG 4.42Å; F52-W61 HydrophobicContact CB-CH2 3.73Å; F52-W61 HydrophobicContact CB-CZ2 3.38Å; F52-W61 HydrophobicContact CB-CZ3 4.07Å; F52-W61 AromaticContact CD2-CD1 3.98Å; F52-W61 HydrophobicContact CD2-CZ2 4.46Å; F52-W61 AromaticContact CD2-NE1 3.52Å; F52-W61 AromaticContact CG-CE2 3.86Å; F52-W61 AromaticContact CG-CZ2 3.9Å; F52-W61 HydrophobicContact CG-CZ2 3.9Å; F52-W61 AromaticContact CG-NE1 3.85Å; F52-W61 PolarHBondContact N-O 3.5Å; F52-W61 PolarHBondContact O-N 3.4Å; C54-W61 HydrophobicContact CB-CH2 4.47Å; C54-W61 HydrophobicContact CB-CZ3 3.93Å; R59-W61 HydrophobicContact CG-CE3 4.42Å; R59-W61 WeakPolarHBondContact O-CZ3 3.44Å; W61-Q88 HydrophobicContact CZ2-CB 4.09Å; W61-C90 HydrophobicContact CH2-CB 4Å; W61-C90 HydrophobicContact CZ3-CB 4.14Å; W61-V99 HydrophobicContact CH2-CG2 3.79Å; W61-V99 HydrophobicContact CZ2-CG2 4.19Å
62P96.4Very high95.8Very high35 Ų3535.9 Ų35.923%0.22720%0.203CC..EExtended strand (participates in β ladder)trans-84.4158.1171.233.4-31.8000111.5A50 R51 L138 D139 V140A50-P62 CarbonylContact O-C 3.56Å; A50-P62 WeakPolarHBondContact O-CA 3.41Å; R51-P62 HydrophobicContact CG-CB 4.39Å; P62-L138 HydrophobicContact CB-CB 3.91Å; P62-L138 HydrophobicContact CB-CD1 3.8Å; P62-D139 VanDerWaalsContact CG-O 3.27Å; P62-D139 WeakPolarHBondContact CG-O 3.45Å; P62-V140 HydrophobicContact CB-CG2 3.98Å; P62-V140 HydrophobicContact CG-CG2 4Å
63S95.4Very high95.8Very high9 Ų939.3 Ų39.36%0.06322%0.216CC..EExtended strand (participates in β ladder)trans-149.3135.7168.9-164.50000110.5S49 A50 L65 Q88S49-S63 CarbonylContact C-O 3.57Å; S49-S63 VanDerWaalsContact CA-O 3.22Å; S49-S63 WeakPolarHBondContact CA-O 3.2Å; A50-S63 PolarHBondContact N-O 3.29Å; A50-S63 PolarHBondContact O-N 2.84Å; S63-L65 VanDerWaalsContact C-N 3.35Å; S63-L65 PolarHBondContact OG-N 3.47Å; S63-Q88 PolarHBondContact OG-NE2 2.95Å
64N95.1Very high95.8Very high36 Ų3638.7 Ų38.719%0.19321%0.208CC..EExtended strand (participates in β ladder)trans-95.68.7173.6-61.2-23.4000112.5T48 S49 L138T48-N64 CarbonylContact O-C 3.55Å; S49-N64 VanDerWaalsContact CB-OD1 3.26Å; S49-N64 WeakPolarHBondContact CB-OD1 3.26Å; S49-N64 PolarHBondContact OG-OD1 2.91Å; S49-N64 VanDerWaalsContact OG-OD1 3.1Å; N64-L138 PolarHBondContact ND2-O 3.05Å; N64-L138 WeakPolarHBondContact OD1-CB 3.47Å; N64-L138 PolarHBondContact OD1-N 3.33Å
65L93.4Very high95.7Very high20 Ų2042.6 Ų42.611%0.10523%0.227CC..EExtended strand (participates in β ladder)trans-127.452.5-176.9-67.3177.4000110.6S63 H144S63-L65 VanDerWaalsContact C-N 3.35Å; S63-L65 PolarHBondContact OG-N 3.47Å; L65-H144 HydrophobicContact CD1-CB 3.72Å
66V95.3Very high95.7Very high3 Ų345.2 Ų45.22%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-94116.6170.2-177.50000108.5K47 T48 A50 F52 L86 P101K47-V66 CarbonylContact C-O 3.56Å; K47-V66 WeakPolarHBondContact CA-O 3.28Å; T48-V66 HydrophobicContact CG2-CB 4.02Å; T48-V66 HydrophobicContact CG2-CG1 4.26Å; T48-V66 PolarHBondContact N-O 3.02Å; T48-V66 PolarHBondContact O-N 3.36Å; A50-V66 HydrophobicContact CB-CB 4.4Å; A50-V66 HydrophobicContact CB-CG2 3.78Å; F52-V66 HydrophobicContact CE2-CG2 3.64Å; F52-V66 HydrophobicContact CZ-CG1 4.37Å; F52-V66 HydrophobicContact CZ-CG2 3.55Å; V66-L86 WeakPolarHBondContact CG1-O 3.4Å; V66-P101 HydrophobicContact CG1-CB 3.94Å; V66-P101 HydrophobicContact CG1-CG 3.87Å
67M96.6Very high95.7Very high12 Ų1241.3 Ų41.36%0.05922%0.215CC..EExtended strand (participates in β ladder)trans-80.6133.9174.7-65.7-55.8-62.500110L45 K47 L86 I156 C157L45-M67 HydrophobicContact CB-CE 4.05Å; K47-M67 HydrophobicContact CB-SD 4.15Å; M67-L86 HydrophobicContact CB-CB 4.49Å; M67-L86 HydrophobicContact CB-CD1 4.03Å; M67-L86 HydrophobicContact CB-CG 4.32Å; M67-L86 VanDerWaalsContact O-CB 3.3Å; M67-L86 WeakPolarHBondContact O-CB 3.34Å; M67-L86 WeakPolarHBondContact O-CG 3.46Å; M67-L86 PolarHBondContact O-N 3.48Å; M67-I156 HydrophobicContact CB-CD1 4.01Å; M67-I156 HydrophobicContact CG-CD1 4.34Å; M67-I156 HydrophobicContact CG-CG1 4.39Å; M67-C157 HydrophobicContact CG-CB 4.43Å
68V96.8Very high95.7Very high0 Ų045.1 Ų45.10%023%0.228CC..EExtended strand (participates in β ladder)trans-116.2126.3172.9-171.50000107.9W6 R46 T48 F70 V83 P85 L111W6-V68 HydrophobicContact CH2-CG1 4.06Å; W6-V68 HydrophobicContact CH2-CG2 4.32Å; W6-V68 HydrophobicContact CZ3-CG1 4.11Å; R46-V68 PolarHBondContact N-O 2.83Å; R46-V68 PolarHBondContact O-N 3.22Å; T48-V68 HydrophobicContact CG2-CG2 3.71Å; V68-F70 HydrophobicContact CB-CE2 3.91Å; V68-F70 HydrophobicContact CB-CZ 4.29Å; V68-F70 HydrophobicContact CG1-CD2 4.18Å; V68-F70 HydrophobicContact CG1-CE1 4.15Å; V68-F70 HydrophobicContact CG1-CE2 3.47Å; V68-F70 VanDerWaalsContact CG1-CE2 3.47Å; V68-F70 HydrophobicContact CG1-CZ 3.46Å; V68-F70 VanDerWaalsContact CG1-CZ 3.46Å; V68-V83 HydrophobicContact CG1-CG2 3.6Å; V68-P85 HydrophobicContact CG1-CG 4.41Å; V68-P85 HydrophobicContact CG2-CB 4.42Å; V68-L111 HydrophobicContact CB-CD2 4.38Å; V68-L111 HydrophobicContact CG2-CD1 3.97Å; V68-L111 HydrophobicContact CG2-CD2 4.27Å
69V96.9Very high95.8Very high0 Ų038.1 Ų38.10%020%0.197CC..EExtended strand (participates in β ladder)trans-100.1129.2178.9-172.10000108.6I32 P34 L45 V83 R84 L86 I156I32-V69 HydrophobicContact CG2-CB 4.26Å; I32-V69 HydrophobicContact CG2-CG1 3.5Å; I32-V69 VanDerWaalsContact CG2-CG1 3.5Å; P34-V69 HydrophobicContact CB-CG1 4.35Å; P34-V69 HydrophobicContact CB-CG2 4.16Å; P34-V69 HydrophobicContact CG-CG2 3.89Å; L45-V69 HydrophobicContact CD2-CB 4.06Å; L45-V69 HydrophobicContact CD2-CG1 3.75Å; L45-V69 HydrophobicContact CD2-CG2 3.86Å; V69-V83 CarbonylContact O-C 3.52Å; V69-V83 WeakPolarHBondContact O-CA 3.36Å; V69-R84 HydrophobicContact CB-CB 4.45Å; V69-R84 PolarHBondContact N-O 3.29Å; V69-R84 PolarHBondContact O-N 3.15Å; V69-L86 HydrophobicContact CG2-CD1 4.46Å; V69-L86 HydrophobicContact CG2-CD2 4.19Å; V69-L86 HydrophobicContact CG2-CG 4.24Å; V69-I156 HydrophobicContact CG2-CD1 4.11Å
70F97.1Very high95.9Very high0 Ų036.9 Ų36.90%020%0.196CC..EExtended strand (participates in β ladder)trans-119.2126.8171.3-59.1-88.6000109.6W6 T43 Y44 R46 V68 M72 V81 K82 V83 L111 L115W6-F70 HydrophobicContact CZ3-CE1 4.39Å; W6-F70 HydrophobicContact CZ3-CZ 4.24Å; T43-F70 WeakPolarHBondContact CA-O 3.39Å; Y44-F70 HydrophobicContact CD1-CB 4.33Å; Y44-F70 AromaticContact CD1-CD2 3.66Å; Y44-F70 HydrophobicContact CD1-CD2 3.66Å; Y44-F70 HydrophobicContact CD1-CE2 4.28Å; Y44-F70 HydrophobicContact CD1-CG 4.22Å; Y44-F70 HydrophobicContact CE1-CD2 4.14Å; Y44-F70 HydrophobicContact CE1-CE2 4.32Å; Y44-F70 HydrophobicContact CG-CD2 4.45Å; Y44-F70 PolarHBondContact N-O 2.97Å; Y44-F70 PolarHBondContact O-N 2.73Å; R46-F70 HydrophobicContact CB-CE2 4.44Å; V68-F70 HydrophobicContact CB-CE2 3.91Å; V68-F70 HydrophobicContact CB-CZ 4.29Å; V68-F70 HydrophobicContact CG1-CD2 4.18Å; V68-F70 HydrophobicContact CG1-CE1 4.15Å; V68-F70 HydrophobicContact CG1-CE2 3.47Å; V68-F70 VanDerWaalsContact CG1-CE2 3.47Å; V68-F70 HydrophobicContact CG1-CZ 3.46Å; V68-F70 VanDerWaalsContact CG1-CZ 3.46Å; F70-M72 HydrophobicContact CB-CE 4.29Å; F70-V81 HydrophobicContact CB-CG1 4.37Å; F70-V81 HydrophobicContact CD1-CG1 3.84Å; F70-K82 CarbonylContact C-O 3.56Å; F70-K82 VanDerWaalsContact CA-O 3.31Å; F70-K82 WeakPolarHBondContact CA-O 3.31Å; F70-V83 HydrophobicContact CD1-CB 3.89Å; F70-V83 HydrophobicContact CD1-CG2 3.68Å; F70-V83 HydrophobicContact CE1-CB 3.94Å; F70-V83 HydrophobicContact CE1-CG2 3.35Å; F70-V83 HydrophobicContact CZ-CG2 3.98Å; F70-L111 HydrophobicContact CE2-CD2 4.22Å; F70-L111 HydrophobicContact CZ-CB 4.38Å; F70-L111 HydrophobicContact CZ-CD2 4.32Å; F70-L115 HydrophobicContact CB-CD1 4.12Å; F70-L115 HydrophobicContact CD1-CD1 3.99Å; F70-L115 HydrophobicContact CD1-CD2 3.92Å; F70-L115 HydrophobicContact CE1-CD2 3.91Å; F70-L115 HydrophobicContact CG-CD1 4.02Å
71H97.1Very high96Very high12 Ų1233.2 Ų33.26%0.05617%0.17CC..EExtended strand (participates in β ladder)trans-106.8126.2161.3-74.8-176.9000107.9V33 P37 W41 K42 T43 V81 K82V33-H71 PolarHBondContact O-CE1 3.11Å; V33-H71 VanDerWaalsContact O-CE1 3.27Å; V33-H71 PolarHBondContact O-NE2 3.48Å; P37-H71 VanDerWaalsContact CA-CE1 3.42Å; P37-H71 WeakPolarHBondContact CA-CE1 3.39Å; W41-H71 HydrophobicContact CD2-CB 4.44Å; W41-H71 HydrophobicContact CE3-CB 3.71Å; W41-H71 HydrophobicContact CZ3-CB 4.29Å; W41-H71 WeakPolarHBondContact CZ3-O 3.22Å; K42-H71 CarbonylContact O-C 3.38Å; K42-H71 WeakPolarHBondContact O-CA 3.41Å; T43-H71 PolarHBondContact OG1-CD2 3.17Å; T43-H71 PolarHBondContact OG1-NE2 2.8Å; H71-V81 CarbonylContact O-C 3.58Å; H71-V81 WeakPolarHBondContact O-CA 3.46Å; H71-K82 HydrophobicContact CB-CB 4.29Å; H71-K82 PolarHBondContact N-O 2.88Å; H71-K82 PolarHBondContact O-N 2.73Å
72M96.9Very high96.1Very high0 Ų034 Ų340%017%0.174CC..EExtended strand (participates in β ladder)trans-124.9145.1-179.265.3-164.27600111W24 K42 Y44 F70 T80 V81 L115 K118 I119 K122W24-M72 HydrophobicContact CZ3-CB 4.46Å; K42-M72 HydrophobicContact CB-CG 3.88Å; K42-M72 PolarHBondContact N-O 3.26Å; K42-M72 PolarHBondContact O-N 3.08Å; Y44-M72 HydrophobicContact CD1-CE 4.33Å; Y44-M72 HydrophobicContact CG-CE 4.28Å; F70-M72 HydrophobicContact CB-CE 4.29Å; M72-T80 CarbonylContact C-O 3.58Å; M72-T80 VanDerWaalsContact CA-O 3.3Å; M72-T80 WeakPolarHBondContact CA-O 3.38Å; M72-V81 HydrophobicContact CB-CG2 4.06Å; M72-L115 HydrophobicContact CE-CD1 3.57Å; M72-L115 HydrophobicContact SD-CD1 4.49Å; M72-K118 HydrophobicContact CE-CB 4.22Å; M72-K118 HydrophobicContact SD-CB 4.46Å; M72-I119 HydrophobicContact SD-CG1 3.86Å; M72-K122 HydrophobicContact SD-CB 4.29Å; M72-K122 HydrophobicContact SD-CD 4.22Å
73R96.6Very high96.1Very high76 Ų7632.4 Ų32.429%0.28716%0.164SC..EExtended strand (participates in β ladder)trans-147.9142.5176.8-174.5174.3-167.4-168.14.6109.6G40 W41 M75 G79 T80G40-R73 WeakPolarHBondContact O-CG 3.36Å; W41-R73 HydrophobicContact CD2-CB 3.77Å; W41-R73 HydrophobicContact CE3-CB 3.73Å; W41-R73 HydrophobicContact CG-CB 4.23Å; W41-R73 HydrophobicContact CH2-CB 4.48Å; W41-R73 HydrophobicContact CZ2-CB 4.5Å; W41-R73 HydrophobicContact CZ3-CB 4.1Å; R73-M75 HydrophobicContact CG-CG 4.05Å; R73-M75 PolarHBondContact NE-SD 2.6Å; R73-M75 PolarHBondContact NH1-SD 3.24Å; R73-M75 PolarHBondContact NH2-SD 3.13Å; R73-G79 CarbonylContact O-C 3.58Å; R73-G79 VanDerWaalsContact O-CA 3.3Å; R73-G79 WeakPolarHBondContact O-CA 3.47Å; R73-T80 PolarHBondContact N-O 3.31Å; R73-T80 PolarHBondContact O-N 2.79Å
74L96.4Very high96.2Very high44 Ų4433.3 Ų33.323%0.2317%0.166CC..EExtended strand (participates in β ladder)trans-122.4126.2169.917964.1000108.3W24 C123 Y124W24-L74 HydrophobicContact CH2-CB 4.04Å; W24-L74 HydrophobicContact CZ2-CB 3.93Å; W24-L74 HydrophobicContact CZ2-CD1 3.91Å; W24-L74 HydrophobicContact CZ2-CD2 4.33Å; W24-L74 HydrophobicContact CZ2-CG 4.27Å; L74-C123 HydrophobicContact CB-CB 4Å; L74-C123 HydrophobicContact CD2-CB 4.42Å; L74-Y124 HydrophobicContact CD2-CD1 3.78Å; L74-Y124 HydrophobicContact CD2-CE1 3.21Å; L74-Y124 HydrophobicContact CD2-CE2 4.49Å
75M95Very high96.3Very high86 Ų8632.1 Ų32.142%0.42416%0.16SC..EExtended strand (participates in β ladder)trans-138.4126.3175.6-71.7-176.378.100109.8R73 G77 Q78R73-M75 HydrophobicContact CG-CG 4.05Å; R73-M75 PolarHBondContact NE-SD 2.6Å; R73-M75 PolarHBondContact NH1-SD 3.24Å; R73-M75 PolarHBondContact NH2-SD 3.13Å; M75-G77 PolarHBondContact O-N 2.79Å; M75-G77 VanDerWaalsContact O-N 3.11Å; M75-Q78 PolarHBondContact N-O 3.28Å; M75-Q78 WeakPolarHBondContact O-CA 2.93Å; M75-Q78 WeakPolarHBondContact O-CB 3.37Å; M75-Q78 PolarHBondContact O-N 2.68Å
76N92.9Very high96.4Very high163 Ų16331.4 Ų31.487%0.87216%0.156SC*.THydrogen-bonded Turntrans49.940.8174.7-54.8-18.2000112.7Q78N76-Q78 PolarHBondContact O-N 3.47Å
77G93.4Very high96.5Very high14 Ų1434.2 Ų34.214%0.14417%0.167CC..THydrogen-bonded Turntrans75.7-0.3-177.300000116.2H22 T23 M75H22-G77 CarbonylContact C-O 3.53Å; H22-G77 WeakPolarHBondContact CA-O 3.44Å; H22-G77 WeakPolarHBondContact CB-O 3.41Å; H22-G77 WeakPolarHBondContact CD2-CA 3.29Å; T23-G77 PolarHBondContact N-O 2.57Å; M75-G77 PolarHBondContact O-N 2.79Å; M75-G77 VanDerWaalsContact O-N 3.11Å
78Q96.3Very high96.5Very high137 Ų13734.3 Ų34.364%0.6417%0.167SC*.EExtended strand (participates in β ladder)trans-102113.1175.6-62.2-177.2-7.200110.5M75 N76M75-Q78 PolarHBondContact N-O 3.28Å; M75-Q78 WeakPolarHBondContact O-CA 2.93Å; M75-Q78 WeakPolarHBondContact O-CB 3.37Å; M75-Q78 PolarHBondContact O-N 2.68Å; N76-Q78 PolarHBondContact O-N 3.47Å
79G96.9Very high96.5Very high0 Ų035.3 Ų35.30%017%0.172CC..EExtended strand (participates in β ladder)trans-97.5140.6178.900000112.4T23 W24 H25 R73T23-G79 WeakPolarHBondContact O-CA 3.39Å; T23-G79 PolarHBondContact O-N 3.2Å; W24-G79 WeakPolarHBondContact CA-O 3.21Å; H25-G79 PolarHBondContact CE1-O 2.92Å; H25-G79 PolarHBondContact N-O 3.34Å; H25-G79 PolarHBondContact ND1-O 3.48Å; R73-G79 CarbonylContact O-C 3.58Å; R73-G79 VanDerWaalsContact O-CA 3.3Å; R73-G79 WeakPolarHBondContact O-CA 3.47Å
80T97.5Very high96.5Very high28 Ų2835.4 Ų35.417%0.17217%0.173CC..EExtended strand (participates in β ladder)trans-134.2133.2173.8-48.30000109.4H25 E27 W41 M72 R73H25-T80 PolarHBondContact CE1-OG1 2.94Å; E27-T80 HydrophobicContact CG-CG2 4.48Å; W41-T80 HydrophobicContact CH2-CG2 3.7Å; W41-T80 HydrophobicContact CZ3-CG2 4.23Å; M72-T80 CarbonylContact C-O 3.58Å; M72-T80 VanDerWaalsContact CA-O 3.3Å; M72-T80 WeakPolarHBondContact CA-O 3.38Å; R73-T80 PolarHBondContact N-O 3.31Å; R73-T80 PolarHBondContact O-N 2.79Å
81V97.9Very high96.3Very high0 Ų039.2 Ų39.20%019%0.189CC..EExtended strand (participates in β ladder)trans-116.7121.8166.3-176.60000109F10 W24 H25 L26 E27 F70 H71 M72 L115 I119F10-V81 HydrophobicContact CE2-CB 4.37Å; F10-V81 HydrophobicContact CE2-CG2 3.91Å; F10-V81 HydrophobicContact CZ-CB 4.48Å; F10-V81 HydrophobicContact CZ-CG2 3.98Å; W24-V81 HydrophobicContact CE3-CG2 3.83Å; W24-V81 HydrophobicContact CZ3-CG2 3.79Å; H25-V81 PolarHBondContact O-N 3.44Å; L26-V81 CarbonylContact C-O 3.58Å; L26-V81 WeakPolarHBondContact CA-O 3.41Å; L26-V81 HydrophobicContact CD1-CB 3.73Å; L26-V81 HydrophobicContact CD1-CG1 3.55Å; E27-V81 PolarHBondContact N-O 2.84Å; F70-V81 HydrophobicContact CB-CG1 4.37Å; F70-V81 HydrophobicContact CD1-CG1 3.84Å; H71-V81 CarbonylContact O-C 3.58Å; H71-V81 WeakPolarHBondContact O-CA 3.46Å; M72-V81 HydrophobicContact CB-CG2 4.06Å; V81-L115 HydrophobicContact CG1-CD1 4.28Å; V81-L115 HydrophobicContact CG1-CD2 3.95Å; V81-L115 HydrophobicContact CG2-CD2 4.34Å; V81-I119 HydrophobicContact CG2-CD1 3.93Å
82K97.6Very high96.2Very high40 Ų4047.8 Ų47.817%0.17422%0.221CC..EExtended strand (participates in β ladder)trans-94131.8165.8-68.4-178.9162.2-156.50109.1E27 D29 I32 W41 F70 H71E27-K82 HydrophobicContact CG-CG 3.8Å; E27-K82 CarbonylContact O-C 3.59Å; E27-K82 VanDerWaalsContact O-CA 3.31Å; E27-K82 WeakPolarHBondContact O-CA 2.9Å; E27-K82 WeakPolarHBondContact OE1-CE 3.46Å; E27-K82 VanDerWaalsContact OE1-CG 3.3Å; E27-K82 WeakPolarHBondContact OE1-CG 3.45Å; E27-K82 IonicContact OE1-NZ 3.77Å; D29-K82 HydrophobicContact CB-CB 4.26Å; D29-K82 HydrophobicContact CB-CD 4.2Å; D29-K82 HydrophobicContact CB-CG 4.33Å; D29-K82 WeakPolarHBondContact OD2-CD 3.3Å; D29-K82 WeakPolarHBondContact OD2-CE 3.45Å; D29-K82 IonicContact OD2-NZ 2.78Å; D29-K82 PolarHBondContact OD2-NZ 2.76Å; I32-K82 HydrophobicContact CD1-CB 3.52Å; I32-K82 HydrophobicContact CG1-CB 4.18Å; W41-K82 HydrophobicContact CH2-CD 3.68Å; W41-K82 HydrophobicContact CH2-CG 3.76Å; W41-K82 HydrophobicContact CZ2-CD 4.21Å; W41-K82 HydrophobicContact CZ3-CB 4.34Å; W41-K82 HydrophobicContact CZ3-CD 3.95Å; W41-K82 HydrophobicContact CZ3-CG 3.82Å; F70-K82 CarbonylContact C-O 3.56Å; F70-K82 VanDerWaalsContact CA-O 3.31Å; F70-K82 WeakPolarHBondContact CA-O 3.31Å; H71-K82 HydrophobicContact CB-CB 4.29Å; H71-K82 PolarHBondContact N-O 2.88Å; H71-K82 PolarHBondContact O-N 2.73Å
83V97.5Very high96.1Very high0 Ų049 Ų490%023%0.229CC..EExtended strand (participates in β ladder)trans-124.5141.1-179.963.90000112.2W6 L26 E27 F28 D29 V68 V69 F70W6-V83 HydrophobicContact CE3-CG2 4.16Å; W6-V83 HydrophobicContact CZ3-CG2 3.73Å; L26-V83 HydrophobicContact CD1-CB 3.94Å; L26-V83 HydrophobicContact CD1-CG1 3.72Å; L26-V83 HydrophobicContact CD2-CG1 4.21Å; L26-V83 HydrophobicContact CG-CG1 3.93Å; E27-V83 WeakPolarHBondContact O-CG1 3.31Å; E27-V83 PolarHBondContact O-N 3.13Å; F28-V83 WeakPolarHBondContact CA-O 3.36Å; F28-V83 HydrophobicContact CD1-CG1 3.87Å; F28-V83 HydrophobicContact CD2-CG1 4.11Å; F28-V83 HydrophobicContact CE1-CG1 3.89Å; F28-V83 HydrophobicContact CE2-CG1 4.12Å; F28-V83 HydrophobicContact CG-CG1 3.99Å; F28-V83 HydrophobicContact CZ-CG1 4.02Å; D29-V83 PolarHBondContact N-O 3.07Å; D29-V83 VanDerWaalsContact N-O 3.08Å; V68-V83 HydrophobicContact CG1-CG2 3.6Å; V69-V83 CarbonylContact O-C 3.52Å; V69-V83 WeakPolarHBondContact O-CA 3.36Å; F70-V83 HydrophobicContact CD1-CB 3.89Å; F70-V83 HydrophobicContact CD1-CG2 3.68Å; F70-V83 HydrophobicContact CE1-CB 3.94Å; F70-V83 HydrophobicContact CE1-CG2 3.35Å; F70-V83 HydrophobicContact CZ-CG2 3.98Å
84R96.8Very high95.8Very high29 Ų2951 Ų5111%0.10925%0.252CS..EExtended strand (participates in β ladder)trans-141.1102.9172.8-172.5-175.9170.6177.63.5110.9D29 E30 I32 V69 L86 E150D29-R84 WeakPolarHBondContact O-CB 3.46Å; E30-R84 PolarHBondContact O-NE 3.39Å; E30-R84 PolarHBondContact O-NH1 3.22Å; I32-R84 HydrophobicContact CB-CB 4.24Å; I32-R84 HydrophobicContact CD1-CB 3.93Å; I32-R84 PolarHBondContact O-NH1 3.41Å; V69-R84 HydrophobicContact CB-CB 4.45Å; V69-R84 PolarHBondContact N-O 3.29Å; V69-R84 PolarHBondContact O-N 3.15Å; R84-L86 HydrophobicContact CG-CD2 4.14Å; R84-L86 PolarHBondContact O-N 3.49Å; R84-E150 IonicContact CZ-OE1 2.69Å; R84-E150 IonicContact NH2-OE1 3.51Å; R84-E150 PolarHBondContact NH2-OE1 2.86Å
85P96.8Very high95.4Very high11 Ų1156.8 Ų56.87%0.07128%0.283CS..EExtended strand (participates in β ladder)trans-69.6125.2165.2-18.133.6000110W6 F28 V68 P101W6-P85 HydrophobicContact CH2-CG 3.89Å; W6-P85 HydrophobicContact CZ2-CG 4.05Å; W6-P85 HydrophobicContact CZ3-CG 4.46Å; F28-P85 HydrophobicContact CE1-CG 4.11Å; V68-P85 HydrophobicContact CG1-CG 4.41Å; V68-P85 HydrophobicContact CG2-CB 4.42Å; P85-P101 HydrophobicContact CB-CG 3.43Å; P85-P101 VanDerWaalsContact CB-CG 3.43Å
86L96.6Very high95.3Very high4 Ų453.3 Ų53.32%0.02127%0.268CS..PPolyproline II helixtrans-78.2148.3-178.4-63.5-165.8000112.3V66 M67 V69 R84 E150 G151 L154 I156V66-L86 WeakPolarHBondContact CG1-O 3.4Å; M67-L86 HydrophobicContact CB-CB 4.49Å; M67-L86 HydrophobicContact CB-CD1 4.03Å; M67-L86 HydrophobicContact CB-CG 4.32Å; M67-L86 VanDerWaalsContact O-CB 3.3Å; M67-L86 WeakPolarHBondContact O-CB 3.34Å; M67-L86 WeakPolarHBondContact O-CG 3.46Å; M67-L86 PolarHBondContact O-N 3.48Å; V69-L86 HydrophobicContact CG2-CD1 4.46Å; V69-L86 HydrophobicContact CG2-CD2 4.19Å; V69-L86 HydrophobicContact CG2-CG 4.24Å; R84-L86 HydrophobicContact CG-CD2 4.14Å; R84-L86 PolarHBondContact O-N 3.49Å; L86-E150 WeakPolarHBondContact CA-OE2 3.29Å; L86-E150 HydrophobicContact CB-CB 4.25Å; L86-E150 HydrophobicContact CB-CG 4.43Å; L86-E150 HydrophobicContact CD1-CG 4.47Å; L86-E150 HydrophobicContact CD2-CG 4.36Å; L86-G151 VanDerWaalsContact CD1-CA 3.46Å; L86-L154 HydrophobicContact CD1-CD1 3.83Å; L86-L154 HydrophobicContact CD2-CD1 4.17Å; L86-I156 HydrophobicContact CD1-CD1 3.62Å; L86-I156 HydrophobicContact CD1-CG1 4.16Å
87R96.6Very high95.4Very high63 Ų6353.2 Ų53.224%0.23826%0.262CS..PPolyproline II helixtrans-91.3164.4-167.7-57.3177.2-169.6171.36.4112.1E30 M98 V99 K100 E150E30-R87 VanDerWaalsContact CD-NH2 3.33Å; E30-R87 IonicContact OE2-CZ 2.75Å; E30-R87 IonicContact OE2-NE 3.13Å; E30-R87 IonicContact OE2-NH2 3.31Å; E30-R87 PolarHBondContact OE2-NH2 3.33Å; R87-M98 HydrophobicContact CB-CB 3.75Å; R87-M98 HydrophobicContact CB-CG 4.4Å; R87-M98 HydrophobicContact CB-SD 4.19Å; R87-M98 HydrophobicContact CG-CB 4.47Å; R87-V99 WeakPolarHBondContact CA-O 3.34Å; R87-V99 WeakPolarHBondContact CB-O 3.17Å; R87-K100 HydrophobicContact CG-CG 4.43Å; R87-E150 HydrophobicContact CB-CB 4.38Å; R87-E150 WeakPolarHBondContact CB-OE2 3.25Å; R87-E150 WeakPolarHBondContact CG-OE2 3.4Å; R87-E150 PolarHBondContact N-OE2 2.74Å; R87-E150 WeakPolarHBondContact O-CB 3.29Å; R87-E150 PolarHBondContact O-N 3.04Å
88Q96.8Very high95.6Very high13 Ų1354.8 Ų54.86%0.06127%0.267CS..EExtended strand (participates in β ladder)trans-131.7155.2165.5-64.7-173.810.700109.7F52 W61 S63 M98 V99 H148F52-Q88 HydrophobicContact CD1-CB 4.01Å; F52-Q88 HydrophobicContact CD2-CB 4.3Å; F52-Q88 HydrophobicContact CD2-CG 4.4Å; F52-Q88 HydrophobicContact CE1-CB 3.8Å; F52-Q88 HydrophobicContact CE1-CG 3.88Å; F52-Q88 HydrophobicContact CE2-CB 4.12Å; F52-Q88 HydrophobicContact CE2-CG 3.76Å; F52-Q88 HydrophobicContact CG-CB 4.24Å; F52-Q88 HydrophobicContact CZ-CB 3.86Å; F52-Q88 HydrophobicContact CZ-CG 3.46Å; F52-Q88 VanDerWaalsContact CZ-CG 3.46Å; W61-Q88 HydrophobicContact CZ2-CB 4.09Å; S63-Q88 PolarHBondContact OG-NE2 2.95Å; Q88-M98 VanDerWaalsContact CA-SD 3.59Å; Q88-V99 PolarHBondContact N-O 3.5Å; Q88-V99 WeakPolarHBondContact O-CG2 3.28Å; Q88-V99 PolarHBondContact O-N 3.02Å; Q88-H148 CarbonylContact C-O 3.55Å; Q88-H148 WeakPolarHBondContact CA-O 3.45Å; Q88-H148 WeakPolarHBondContact CB-O 3.33Å
89N97Very high95.6Very high22 Ų2248.9 Ų48.912%0.11824%0.24CC..EExtended strand (participates in β ladder)trans-111.1159.6173.373.4-12.1000111.9K91 A96 Q97 M98 H148N89-K91 PolarHBondContact O-N 2.89Å; N89-A96 HydrophobicContact CB-CB 4Å; N89-A96 VanDerWaalsContact CB-O 3.29Å; N89-A96 WeakPolarHBondContact CB-O 3.36Å; N89-A96 PolarHBondContact ND2-O 2.83Å; N89-Q97 WeakPolarHBondContact CB-O 3.37Å; N89-M98 HydrophobicContact CB-CE 4.34Å; N89-M98 HydrophobicContact CB-CG 4.26Å; N89-M98 HydrophobicContact CB-SD 3.78Å; N89-M98 PolarHBondContact N-SD 3.5Å; N89-H148 PolarHBondContact N-O 3.22Å; N89-H148 WeakPolarHBondContact OD1-CA 3.32Å; N89-H148 WeakPolarHBondContact OD1-CB 3.47Å; N89-H148 PolarHBondContact OD1-ND1 2.79Å
90C96.4Very high95.6Very high2 Ų253.8 Ų53.81%0.01426%0.261CS..  trans-73.5124.4-176.6-175.40000111.2C54 C57 W61 R92 C93 A96C54-C90 HydrophobicContact CB-CB 3.84Å; C54-C90 VanDerWaalsContact SG-CB 3.52Å; C57-C90 VanDerWaalsContact SG-SG 3.61Å; W61-C90 HydrophobicContact CH2-CB 4Å; W61-C90 HydrophobicContact CZ3-CB 4.14Å; C90-R92 VanDerWaalsContact C-N 3.25Å; C90-R92 PolarHBondContact O-N 2.83Å; C90-R92 PolarHBondContact SG-N 2.85Å; C90-C93 HydrophobicContact CB-CB 4.37Å; C90-A96 HydrophobicContact CB-CB 3.94Å; C90-A96 VanDerWaalsContact O-CB 3.25Å; C90-A96 WeakPolarHBondContact O-CB 3.5Å
91K94Very high95.5Very high80 Ų8052.8 Ų52.835%0.34826%0.255SS..THydrogen-bonded Turntrans-67.6-17.4176.279.2-175.6-176.3174.60116.2N89 E145 H148N89-K91 PolarHBondContact O-N 2.89Å; K91-E145 WeakPolarHBondContact CD-OE1 3.47Å; K91-E145 WeakPolarHBondContact CD-OE2 3.38Å; K91-E145 WeakPolarHBondContact CE-OE1 3.43Å; K91-E145 IonicContact NZ-OE1 2.68Å; K91-E145 PolarHBondContact NZ-OE1 3.14Å; K91-H148 WeakPolarHBondContact CB-NE2 3.27Å
92R94.2Very high95.5Very high192 Ų19255.1 Ų55.173%0.72527%0.271SS*.THydrogen-bonded Turntrans-89.5-26.3-178.8-71.5-165.9178.1178.4-2.7113.4C90C90-R92 VanDerWaalsContact C-N 3.25Å; C90-R92 PolarHBondContact O-N 2.83Å; C90-R92 PolarHBondContact SG-N 2.85Å
93C95.1Very high95.5Very high25 Ų2553.7 Ų53.717%0.16927%0.266CS..SBendtrans-92.4131.5-175-67.90000109.8C57 C90 N95 A96C57-C93 VanDerWaalsContact CB-SG 3.57Å; C57-C93 PolarHBondContact SG-SG 3.2Å; C90-C93 HydrophobicContact CB-CB 4.37Å; C93-N95 PolarHBondContact O-N 3.06Å; C93-A96 HydrophobicContact CB-CB 3.87Å; C93-A96 PolarHBondContact O-N 3.5Å
94P90.3Very high95.4Very high117 Ų11758 Ų5876%0.7629%0.286SS*.THydrogen-bonded Turntrans-62.3138.5168.928.2-33.4000109.1A96P94-A96 PolarHBondContact O-N 2.76Å; P94-A96 VanDerWaalsContact O-N 3.1Å
95N88.3Confident95.4Very high167 Ų16758.7 Ų58.789%0.89330%0.296SS*.THydrogen-bonded Turntrans51.434.8179.2-58.2-38.1000114.1C93 Q97C93-N95 PolarHBondContact O-N 3.06Å; N95-Q97 PolarHBondContact O-N 2.91Å
96A93.4Very high95.3Very high12 Ų1261.5 Ų61.510%0.09931%0.31CS..PPolyproline II helixtrans-57.2127.8-179.700000111.4N89 C90 C93 P94N89-A96 HydrophobicContact CB-CB 4Å; N89-A96 VanDerWaalsContact CB-O 3.29Å; N89-A96 WeakPolarHBondContact CB-O 3.36Å; N89-A96 PolarHBondContact ND2-O 2.83Å; C90-A96 HydrophobicContact CB-CB 3.94Å; C90-A96 VanDerWaalsContact O-CB 3.25Å; C90-A96 WeakPolarHBondContact O-CB 3.5Å; C93-A96 HydrophobicContact CB-CB 3.87Å; C93-A96 PolarHBondContact O-N 3.5Å; P94-A96 PolarHBondContact O-N 2.76Å; P94-A96 VanDerWaalsContact O-N 3.1Å
97Q95Very high95.4Very high162 Ų16261.4 Ų61.476%0.75731%0.309SS*.PPolyproline II helixtrans-64.3149.5169.8-67.8-175.3-9.200110.9N89 N95N89-Q97 WeakPolarHBondContact CB-O 3.37Å; N95-Q97 PolarHBondContact O-N 2.91Å
98M95.9Very high95.4Very high47 Ų4758.5 Ų58.523%0.23230%0.299CS..EExtended strand (participates in β ladder)trans-70.9124.7173.1-76.4-71.2-176.800110.1R87 Q88 N89 E150 K153R87-M98 HydrophobicContact CB-CB 3.75Å; R87-M98 HydrophobicContact CB-CG 4.4Å; R87-M98 HydrophobicContact CB-SD 4.19Å; R87-M98 HydrophobicContact CG-CB 4.47Å; Q88-M98 VanDerWaalsContact CA-SD 3.59Å; N89-M98 HydrophobicContact CB-CE 4.34Å; N89-M98 HydrophobicContact CB-CG 4.26Å; N89-M98 HydrophobicContact CB-SD 3.78Å; N89-M98 PolarHBondContact N-SD 3.5Å; M98-E150 HydrophobicContact CE-CB 4.34Å; M98-E150 HydrophobicContact SD-CB 4.31Å; M98-K153 HydrophobicContact CE-CD 3.88Å
99V96.9Very high95.4Very high13 Ų1361.8 Ų61.88%0.07931%0.314CS..EExtended strand (participates in β ladder)trans-106.8146.5178.8-66.40000111.1F52 W61 R87 Q88F52-V99 HydrophobicContact CB-CG2 4.13Å; F52-V99 HydrophobicContact CD1-CG2 4.09Å; W61-V99 HydrophobicContact CH2-CG2 3.79Å; W61-V99 HydrophobicContact CZ2-CG2 4.19Å; R87-V99 WeakPolarHBondContact CA-O 3.34Å; R87-V99 WeakPolarHBondContact CB-O 3.17Å; Q88-V99 PolarHBondContact N-O 3.5Å; Q88-V99 WeakPolarHBondContact O-CG2 3.28Å; Q88-V99 PolarHBondContact O-N 3.02Å
100K96.4Very high95.4Very high102 Ų10261.9 Ų61.944%0.44332%0.315SS..  trans-69.3147.1179-61.4-168.8-171.7-166.50111E30 R87E30-K100 VanDerWaalsContact OE1-CE 3.22Å; E30-K100 WeakPolarHBondContact OE1-CE 3.38Å; E30-K100 IonicContact OE1-NZ 3.98Å; E30-K100 PolarHBondContact OE1-NZ 3.46Å; R87-K100 HydrophobicContact CG-CG 4.43Å
101P96.8Very high95.5Very high7 Ų761.9 Ų61.95%0.04532%0.315CS..  trans-72.3142.1172.129.5-33000111A50 F52 V66 P85 V103A50-P101 HydrophobicContact CB-CB 3.51Å; F52-P101 HydrophobicContact CD1-CB 4.28Å; F52-P101 HydrophobicContact CE1-CB 3.57Å; F52-P101 HydrophobicContact CE1-CG 4.27Å; F52-P101 HydrophobicContact CZ-CB 3.71Å; V66-P101 HydrophobicContact CG1-CB 3.94Å; V66-P101 HydrophobicContact CG1-CG 3.87Å; P85-P101 HydrophobicContact CB-CG 3.43Å; P85-P101 VanDerWaalsContact CB-CG 3.43Å; P101-V103 HydrophobicContact CB-CG2 4.26Å; P101-V103 HydrophobicContact CG-CG2 4.5Å
102S97Very high95.6Very high49 Ų4958 Ų5834%0.34330%0.298SS..BIsolated β-bridgetrans-95.7107164-175.10000108.3E2 A50 R51E2-S102 WeakPolarHBondContact OE1-CA 3.41Å; E2-S102 WeakPolarHBondContact OE1-CB 3.38Å; E2-S102 PolarHBondContact OE1-OG 3.33Å; A50-S102 WeakPolarHBondContact CA-O 3.39Å; A50-S102 WeakPolarHBondContact CB-O 3.37Å; R51-S102 PolarHBondContact N-O 3.37Å; R51-S102 WeakPolarHBondContact O-CB 3.3Å; R51-S102 PolarHBondContact O-N 3.07Å
103V97.3Very high95.7Very high10 Ų1051.4 Ų51.46%0.06128%0.276CS..  trans-99.4127.7-177.9-1720000108.7W6 T48 A50 P101 N107 I108W6-V103 HydrophobicContact CZ2-CB 3.93Å; W6-V103 HydrophobicContact CZ2-CG1 4.27Å; W6-V103 HydrophobicContact CZ2-CG2 3.79Å; T48-V103 HydrophobicContact CG2-CG1 4.3Å; T48-V103 HydrophobicContact CG2-CG2 4.18Å; A50-V103 HydrophobicContact CB-CG2 3.79Å; P101-V103 HydrophobicContact CB-CG2 4.26Å; P101-V103 HydrophobicContact CG-CG2 4.5Å; V103-N107 HydrophobicContact CG1-CB 3.67Å; V103-I108 HydrophobicContact CB-CG1 4.06Å; V103-I108 HydrophobicContact CG1-CG1 3.79Å; V103-I108 WeakPolarHBondContact O-CD1 2.93Å
104E96.1Very high95.7Very high91 Ų9150.4 Ų50.443%0.42527%0.268SS..  trans-71.1148.2178.3-65.3173.7-169.200110.8R51 D106 N107 I108R51-E104 IonicContact NH1-OE1 3.04Å; R51-E104 PolarHBondContact NH1-OE1 2.9Å; E104-D106 VanDerWaalsContact C-N 3.34Å; E104-D106 PolarHBondContact O-N 2.88Å; E104-N107 WeakPolarHBondContact O-CA 3.43Å; E104-N107 WeakPolarHBondContact O-CB 3.42Å; E104-N107 PolarHBondContact O-N 3.24Å; E104-I108 PolarHBondContact O-N 3.45Å; E104-I108 VanDerWaalsContact O-N 3.08Å
105S96.3Very high96Very high44 Ų4444.8 Ų44.831%0.30823%0.232SC..Hα-helixtrans-52.1-45.2-173.5-65.20000113.5E5 N107 I108 E109E5-S105 PolarHBondContact OE1-OG 3.37Å; S105-N107 PolarHBondContact O-N 3.28Å; S105-N107 VanDerWaalsContact O-N 3.16Å; S105-I108 CarbonylContact O-C 3.55Å; S105-I108 WeakPolarHBondContact O-CA 3.34Å; S105-I108 WeakPolarHBondContact O-CB 3.18Å; S105-I108 PolarHBondContact O-N 3.05Å; S105-E109 WeakPolarHBondContact O-CG 3.34Å; S105-E109 PolarHBondContact O-N 3.21Å
106D95.9Very high96.4Very high69 Ų6937.2 Ų37.237%0.36919%0.192SC..Hα-helixtrans-53.1-38.7175.2-72.537.1000113.2E104 V110 R136E104-D106 VanDerWaalsContact C-N 3.34Å; E104-D106 PolarHBondContact O-N 2.88Å; D106-V110 WeakPolarHBondContact O-CG2 3.38Å; D106-V110 PolarHBondContact O-N 2.86Å; D106-R136 IonicContact OD2-CZ 2.67Å; D106-R136 VanDerWaalsContact OD2-CZ 3.31Å; D106-R136 IonicContact OD2-NE 2.75Å; D106-R136 PolarHBondContact OD2-NE 3.32Å; D106-R136 IonicContact OD2-NH2 3.58Å; D106-R136 PolarHBondContact OD2-NH2 2.92Å; D106-R136 VanDerWaalsContact OD2-NH2 3.13Å
107N97.5Very high96.5Very high2 Ų237.6 Ų37.61%0.01119%0.192CC..Hα-helixtrans-79.6-25178.3-84.2-19.5000112.5S49 V103 E104 S105 L111 R136S49-N107 WeakPolarHBondContact CB-ND2 3.16Å; S49-N107 PolarHBondContact O-ND2 2.9Å; S49-N107 VanDerWaalsContact O-ND2 3.08Å; V103-N107 HydrophobicContact CG1-CB 3.67Å; E104-N107 WeakPolarHBondContact O-CA 3.43Å; E104-N107 WeakPolarHBondContact O-CB 3.42Å; E104-N107 PolarHBondContact O-N 3.24Å; S105-N107 PolarHBondContact O-N 3.28Å; S105-N107 VanDerWaalsContact O-N 3.16Å; N107-L111 VanDerWaalsContact O-CG 3.28Å; N107-L111 WeakPolarHBondContact O-CG 3.32Å; N107-L111 PolarHBondContact O-N 3.18Å; N107-R136 PolarHBondContact ND2-O 2.75Å; N107-R136 PolarHBondContact OD1-N 3.39Å; N107-R136 PolarHBondContact OD1-O 3.39Å
108I97.8Very high96.5Very high3 Ų331 Ų312%0.01516%0.161CC..Hα-helixtrans-69.1-45169.8-59.1169.1000109.4E5 W6 I9 V103 E104 S105 V110 L111 M112E5-I108 HydrophobicContact CG-CD1 4.06Å; W6-I108 HydrophobicContact CB-CG2 4.39Å; W6-I108 HydrophobicContact CD2-CG1 4.33Å; W6-I108 HydrophobicContact CD2-CG2 3.98Å; W6-I108 HydrophobicContact CE3-CG2 4.46Å; W6-I108 HydrophobicContact CG-CD1 4.2Å; W6-I108 HydrophobicContact CG-CG1 4.45Å; W6-I108 HydrophobicContact CG-CG2 3.94Å; W6-I108 HydrophobicContact CZ2-CG1 4.12Å; I9-I108 HydrophobicContact CB-CG2 4.23Å; I9-I108 HydrophobicContact CD1-CB 3.81Å; I9-I108 HydrophobicContact CD1-CG2 3.61Å; I9-I108 HydrophobicContact CG2-CG2 4.33Å; V103-I108 HydrophobicContact CB-CG1 4.06Å; V103-I108 HydrophobicContact CG1-CG1 3.79Å; V103-I108 WeakPolarHBondContact O-CD1 2.93Å; E104-I108 PolarHBondContact O-N 3.45Å; E104-I108 VanDerWaalsContact O-N 3.08Å; S105-I108 CarbonylContact O-C 3.55Å; S105-I108 WeakPolarHBondContact O-CA 3.34Å; S105-I108 WeakPolarHBondContact O-CB 3.18Å; S105-I108 PolarHBondContact O-N 3.05Å; I108-V110 PolarHBondContact O-N 3.45Å; I108-L111 WeakPolarHBondContact O-CA 3.41Å; I108-L111 WeakPolarHBondContact O-CB 3.13Å; I108-L111 PolarHBondContact O-N 3.18Å; I108-L111 VanDerWaalsContact O-N 3.07Å; I108-M112 HydrophobicContact CG2-CE 4.04Å; I108-M112 HydrophobicContact CG2-CG 4.27Å; I108-M112 WeakPolarHBondContact O-CG 3.39Å; I108-M112 PolarHBondContact O-N 2.7Å
109E96.9Very high96.5Very high82 Ų8228.7 Ų28.738%0.38315%0.15SC..Hα-helixtrans-54.8-52.4175.6-70.5172.8-176.100110.8I9 S105 L111 M112 E113I9-E109 HydrophobicContact CD1-CG 4.06Å; I9-E109 HydrophobicContact CG1-CG 4.47Å; I9-E109 HydrophobicContact CG2-CB 4.47Å; I9-E109 HydrophobicContact CG2-CG 3.89Å; S105-E109 WeakPolarHBondContact O-CG 3.34Å; S105-E109 PolarHBondContact O-N 3.21Å; E109-L111 PolarHBondContact O-N 3.49Å; E109-M112 PolarHBondContact O-N 3.36Å; E109-E113 WeakPolarHBondContact O-CG 3.49Å; E109-E113 PolarHBondContact O-N 2.69Å
110V96.9Very high96.4Very high23 Ų2332.3 Ų32.314%0.13916%0.162CC..Hα-helixtrans-58.5-36.2176.7172.40000112.5D106 I108 N114 K133D106-V110 WeakPolarHBondContact O-CG2 3.38Å; D106-V110 PolarHBondContact O-N 2.86Å; I108-V110 PolarHBondContact O-N 3.45Å; V110-N114 WeakPolarHBondContact O-CB 3.36Å; V110-N114 PolarHBondContact O-N 3.08Å; V110-N114 PolarHBondContact O-ND2 2.98Å; V110-K133 HydrophobicContact CG1-CB 3.97Å
111L97.2Very high96.3Very high2 Ų229.8 Ų29.81%0.0115%0.153CC..Hα-helixtrans-65.8-43.9175-78.2170.1000111.7W6 R46 T48 V68 F70 N107 I108 E109 N114 L115W6-L111 HydrophobicContact CH2-CD1 3.36Å; W6-L111 HydrophobicContact CZ2-CD1 4.11Å; W6-L111 HydrophobicContact CZ3-CD1 3.91Å; R46-L111 HydrophobicContact CB-CD2 3.88Å; R46-L111 HydrophobicContact CG-CD2 3.74Å; T48-L111 HydrophobicContact CG2-CD1 4.05Å; V68-L111 HydrophobicContact CB-CD2 4.38Å; V68-L111 HydrophobicContact CG2-CD1 3.97Å; V68-L111 HydrophobicContact CG2-CD2 4.27Å; F70-L111 HydrophobicContact CE2-CD2 4.22Å; F70-L111 HydrophobicContact CZ-CB 4.38Å; F70-L111 HydrophobicContact CZ-CD2 4.32Å; N107-L111 VanDerWaalsContact O-CG 3.28Å; N107-L111 WeakPolarHBondContact O-CG 3.32Å; N107-L111 PolarHBondContact O-N 3.18Å; I108-L111 WeakPolarHBondContact O-CA 3.41Å; I108-L111 WeakPolarHBondContact O-CB 3.13Å; I108-L111 PolarHBondContact O-N 3.18Å; I108-L111 VanDerWaalsContact O-N 3.07Å; E109-L111 PolarHBondContact O-N 3.49Å; L111-N114 PolarHBondContact O-N 3.03Å; L111-L115 VanDerWaalsContact O-CB 3.31Å; L111-L115 WeakPolarHBondContact O-CB 3.22Å; L111-L115 PolarHBondContact O-N 3.14Å
112M97.1Very high96.2Very high0 Ų033.3 Ų33.30%017%0.168CC..Hα-helixtrans-70-42.9-178.2-63.7-51.4163.800112.2W6 I9 F10 E13 L26 I108 E109 N114 L115 M116W6-M112 HydrophobicContact CB-CE 4.18Å; W6-M112 HydrophobicContact CD2-CE 4Å; W6-M112 HydrophobicContact CE3-CE 3.25Å; W6-M112 HydrophobicContact CG-CE 4.41Å; W6-M112 HydrophobicContact CZ3-CE 3.88Å; I9-M112 HydrophobicContact CB-CG 4.46Å; I9-M112 HydrophobicContact CG2-CB 4.05Å; I9-M112 HydrophobicContact CG2-CG 3.79Å; F10-M112 HydrophobicContact CB-CE 4.39Å; F10-M112 HydrophobicContact CB-CG 4.4Å; F10-M112 HydrophobicContact CB-SD 3.9Å; F10-M112 HydrophobicContact CD2-SD 3.82Å; F10-M112 HydrophobicContact CG-SD 4.36Å; E13-M112 HydrophobicContact CB-CB 4.26Å; E13-M112 HydrophobicContact CG-CB 3.76Å; L26-M112 HydrophobicContact CD2-CE 3.68Å; I108-M112 HydrophobicContact CG2-CE 4.04Å; I108-M112 HydrophobicContact CG2-CG 4.27Å; I108-M112 WeakPolarHBondContact O-CG 3.39Å; I108-M112 PolarHBondContact O-N 2.7Å; E109-M112 PolarHBondContact O-N 3.36Å; M112-N114 VanDerWaalsContact C-N 3.31Å; M112-N114 PolarHBondContact O-N 3.31Å; M112-L115 CarbonylContact O-C 3.44Å; M112-L115 WeakPolarHBondContact O-CA 3.27Å; M112-L115 WeakPolarHBondContact O-CB 3.39Å; M112-L115 PolarHBondContact O-N 3.18Å; M112-L115 HydrophobicContact SD-CD2 3.89Å; M112-M116 WeakPolarHBondContact O-CG 3.3Å; M112-M116 PolarHBondContact O-N 3.06Å
113E95.5Very high96.1Very high53 Ų5332.1 Ų32.125%0.24816%0.159CC..Hα-helixtrans-56.5-46.4174.1-70.2179.3136.100111.2E109 L115 M116 V117 K133E109-E113 WeakPolarHBondContact O-CG 3.49Å; E109-E113 PolarHBondContact O-N 2.69Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.13Å; E113-M116 WeakPolarHBondContact O-CB 3.34Å; E113-M116 PolarHBondContact O-N 2.74Å; E113-V117 PolarHBondContact O-N 2.83Å; E113-K133 IonicContact OE1-NZ 2.71Å; E113-K133 PolarHBondContact OE1-NZ 2.84Å; E113-K133 WeakPolarHBondContact OE2-CD 3.22Å; E113-K133 WeakPolarHBondContact OE2-CE 3.43Å; E113-K133 IonicContact OE2-NZ 3.18Å; E113-K133 PolarHBondContact OE2-NZ 2.67Å
114N95.9Very high96Very high3 Ų333.5 Ų33.52%0.01616%0.163CC..Hα-helixtrans-66.4-37.5176.5-69.2-41.5000112Y44 V110 L111 M112 M116 V117 K118 N132 K133Y44-N114 HydrophobicContact CE1-CB 4.41Å; Y44-N114 VanDerWaalsContact OH-CB 3.26Å; Y44-N114 WeakPolarHBondContact OH-CB 3.48Å; V110-N114 WeakPolarHBondContact O-CB 3.36Å; V110-N114 PolarHBondContact O-N 3.08Å; V110-N114 PolarHBondContact O-ND2 2.98Å; L111-N114 PolarHBondContact O-N 3.03Å; M112-N114 VanDerWaalsContact C-N 3.31Å; M112-N114 PolarHBondContact O-N 3.31Å; N114-M116 VanDerWaalsContact C-N 3.31Å; N114-M116 PolarHBondContact O-N 2.98Å; N114-V117 PolarHBondContact O-N 3.49Å; N114-K118 WeakPolarHBondContact O-CG 3.48Å; N114-K118 PolarHBondContact O-N 3.46Å; N114-K118 VanDerWaalsContact O-N 3.07Å; N114-N132 VanDerWaalsContact OD1-CA 3.29Å; N114-N132 WeakPolarHBondContact OD1-CA 3.2Å; N114-K133 PolarHBondContact ND2-O 3.23Å; N114-K133 PolarHBondContact OD1-N 3.34Å
115L96.4Very high95.9Very high0 Ų037.4 Ų37.40%018%0.182CC..Hα-helixtrans-62.5-38.9175.6176.165.3000111F10 Y44 F70 M72 V81 L111 M112 E113 V117 K118 I119F10-L115 HydrophobicContact CD2-CD2 3.89Å; F10-L115 HydrophobicContact CE2-CD2 3.77Å; Y44-L115 HydrophobicContact CD1-CD1 4.09Å; F70-L115 HydrophobicContact CB-CD1 4.12Å; F70-L115 HydrophobicContact CD1-CD1 3.99Å; F70-L115 HydrophobicContact CD1-CD2 3.92Å; F70-L115 HydrophobicContact CE1-CD2 3.91Å; F70-L115 HydrophobicContact CG-CD1 4.02Å; M72-L115 HydrophobicContact CE-CD1 3.57Å; M72-L115 HydrophobicContact SD-CD1 4.49Å; V81-L115 HydrophobicContact CG1-CD1 4.28Å; V81-L115 HydrophobicContact CG1-CD2 3.95Å; V81-L115 HydrophobicContact CG2-CD2 4.34Å; L111-L115 VanDerWaalsContact O-CB 3.31Å; L111-L115 WeakPolarHBondContact O-CB 3.22Å; L111-L115 PolarHBondContact O-N 3.14Å; M112-L115 CarbonylContact O-C 3.44Å; M112-L115 WeakPolarHBondContact O-CA 3.27Å; M112-L115 WeakPolarHBondContact O-CB 3.39Å; M112-L115 PolarHBondContact O-N 3.18Å; M112-L115 HydrophobicContact SD-CD2 3.89Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.13Å; L115-V117 PolarHBondContact O-N 3Å; L115-K118 CarbonylContact O-C 3.52Å; L115-K118 PolarHBondContact O-N 3.11Å; L115-K118 VanDerWaalsContact O-N 3.07Å; L115-I119 HydrophobicContact CD1-CD1 4.38Å; L115-I119 HydrophobicContact CD1-CG1 4.3Å; L115-I119 HydrophobicContact CG-CD1 4.03Å; L115-I119 HydrophobicContact CG-CG1 4.38Å; L115-I119 WeakPolarHBondContact O-CG1 3.45Å; L115-I119 PolarHBondContact O-N 3.08Å
116M95.7Very high95.8Very high8 Ų837.4 Ų37.44%0.03918%0.177CC..Hα-helixtrans-59-47.7176.1-68.1-49.8103.300111.3F10 E13 I14 L17 M112 E113 N114 K118 I119 R120F10-M116 HydrophobicContact CD2-CE 3.81Å; F10-M116 HydrophobicContact CE2-CE 3.59Å; F10-M116 HydrophobicContact CZ-CE 4.48Å; E13-M116 HydrophobicContact CB-CE 4.39Å; E13-M116 HydrophobicContact CB-CG 3.85Å; E13-M116 HydrophobicContact CB-SD 4.16Å; I14-M116 HydrophobicContact CB-SD 4.29Å; I14-M116 HydrophobicContact CD1-CE 4.07Å; I14-M116 HydrophobicContact CD1-SD 3.72Å; I14-M116 HydrophobicContact CG1-SD 4.44Å; L17-M116 HydrophobicContact CD1-SD 3.94Å; L17-M116 HydrophobicContact CD2-CB 4.25Å; L17-M116 HydrophobicContact CD2-SD 4.43Å; L17-M116 HydrophobicContact CG-SD 4.07Å; M112-M116 WeakPolarHBondContact O-CG 3.3Å; M112-M116 PolarHBondContact O-N 3.06Å; E113-M116 WeakPolarHBondContact O-CB 3.34Å; E113-M116 PolarHBondContact O-N 2.74Å; N114-M116 VanDerWaalsContact C-N 3.31Å; N114-M116 PolarHBondContact O-N 2.98Å; M116-K118 VanDerWaalsContact C-N 3.26Å; M116-K118 PolarHBondContact O-N 2.91Å; M116-I119 HydrophobicContact CE-CD1 3.79Å; M116-I119 PolarHBondContact O-N 3.37Å; M116-I119 HydrophobicContact SD-CD1 4.47Å; M116-R120 WeakPolarHBondContact O-CG 3.32Å; M116-R120 PolarHBondContact O-N 2.92Å
117V95.1Very high95.6Very high19 Ų1941.6 Ų41.612%0.11520%0.199CC..Hα-helixtrans-56.2-43.9173.8175.80000110.6E113 N114 L115 R120 I121 L128 Q131E113-V117 PolarHBondContact O-N 2.83Å; N114-V117 PolarHBondContact O-N 3.49Å; L115-V117 PolarHBondContact O-N 3Å; V117-R120 PolarHBondContact O-N 3.41Å; V117-I121 HydrophobicContact CG1-CD1 3.74Å; V117-I121 VanDerWaalsContact O-CG1 3.32Å; V117-I121 WeakPolarHBondContact O-CG1 3.21Å; V117-I121 PolarHBondContact O-N 3.34Å; V117-L128 HydrophobicContact CG1-CD1 4.48Å; V117-Q131 HydrophobicContact CG1-CB 4.23Å
118K95.8Very high95.2Very high23 Ų2343.4 Ų43.410%0.121%0.209CC..Hα-helixtrans-71.2-31.9180-64.4-58.3178.1-163.60113.9Y44 M72 N114 L115 M116 K122 N132Y44-K118 HydrophobicContact CD1-CB 4.09Å; Y44-K118 HydrophobicContact CD1-CG 3.87Å; Y44-K118 HydrophobicContact CD2-CB 4.44Å; Y44-K118 HydrophobicContact CD2-CD 4.14Å; Y44-K118 HydrophobicContact CD2-CG 3.64Å; Y44-K118 HydrophobicContact CE1-CB 4.44Å; Y44-K118 HydrophobicContact CE1-CG 3.88Å; Y44-K118 HydrophobicContact CE2-CD 4.18Å; Y44-K118 HydrophobicContact CE2-CG 3.66Å; Y44-K118 HydrophobicContact CG-CB 4.07Å; Y44-K118 HydrophobicContact CG-CG 3.74Å; M72-K118 HydrophobicContact CE-CB 4.22Å; M72-K118 HydrophobicContact SD-CB 4.46Å; N114-K118 WeakPolarHBondContact O-CG 3.48Å; N114-K118 PolarHBondContact O-N 3.46Å; N114-K118 VanDerWaalsContact O-N 3.07Å; L115-K118 CarbonylContact O-C 3.52Å; L115-K118 PolarHBondContact O-N 3.11Å; L115-K118 VanDerWaalsContact O-N 3.07Å; M116-K118 VanDerWaalsContact C-N 3.26Å; M116-K118 PolarHBondContact O-N 2.91Å; K118-K122 WeakPolarHBondContact O-CB 3.26Å; K118-K122 WeakPolarHBondContact O-CG 3.14Å; K118-K122 PolarHBondContact O-N 2.8Å; K118-N132 WeakPolarHBondContact CE-OD1 3.2Å
119I95.8Very high94.6Very high0 Ų045.2 Ų45.20%023%0.229CC..Hα-helixtrans-63.4-48171-73.7170000109.7F10 I14 L17 W24 M72 V81 L115 M116 I121 K122 C123 Y124F10-I119 HydrophobicContact CE2-CD1 4.28Å; I14-I119 HydrophobicContact CD1-CD1 4.17Å; L17-I119 HydrophobicContact CD1-CG2 4.29Å; W24-I119 HydrophobicContact CD2-CD1 4.46Å; W24-I119 HydrophobicContact CE3-CD1 4.03Å; W24-I119 HydrophobicContact CH2-CD1 4.39Å; W24-I119 HydrophobicContact CH2-CG1 4.23Å; W24-I119 HydrophobicContact CH2-CG2 3.72Å; W24-I119 HydrophobicContact CZ2-CG2 3.49Å; W24-I119 VanDerWaalsContact CZ2-CG2 3.49Å; W24-I119 HydrophobicContact CZ3-CD1 3.99Å; W24-I119 HydrophobicContact CZ3-CG1 4.19Å; W24-I119 HydrophobicContact CZ3-CG2 4.37Å; M72-I119 HydrophobicContact SD-CG1 3.86Å; V81-I119 HydrophobicContact CG2-CD1 3.93Å; L115-I119 HydrophobicContact CD1-CD1 4.38Å; L115-I119 HydrophobicContact CD1-CG1 4.3Å; L115-I119 HydrophobicContact CG-CD1 4.03Å; L115-I119 HydrophobicContact CG-CG1 4.38Å; L115-I119 WeakPolarHBondContact O-CG1 3.45Å; L115-I119 PolarHBondContact O-N 3.08Å; M116-I119 HydrophobicContact CE-CD1 3.79Å; M116-I119 PolarHBondContact O-N 3.37Å; M116-I119 HydrophobicContact SD-CD1 4.47Å; I119-I121 PolarHBondContact O-N 2.91Å; I119-K122 PolarHBondContact O-N 3.1Å; I119-C123 HydrophobicContact CG2-CB 4.34Å; I119-C123 WeakPolarHBondContact O-CA 3.47Å; I119-C123 WeakPolarHBondContact O-CB 3.46Å; I119-C123 PolarHBondContact O-N 2.93Å; I119-Y124 HydrophobicContact CG2-CD2 3.99Å; I119-Y124 HydrophobicContact CG2-CE2 3.75Å; I119-Y124 PolarHBondContact O-N 2.7Å
120R95Very high93.6Very high88 Ų8849.7 Ų49.733%0.33225%0.249SC..Hα-helixtrans-57-47177.1-66.617472.9-175.1-5.6112.1L17 M116 V117 Y124 Q125 E126 L128L17-R120 HydrophobicContact CD2-CG 3.66Å; M116-R120 WeakPolarHBondContact O-CG 3.32Å; M116-R120 PolarHBondContact O-N 2.92Å; V117-R120 PolarHBondContact O-N 3.41Å; R120-Y124 CarbonylContact O-C 3.55Å; R120-Y124 WeakPolarHBondContact O-CA 3.48Å; R120-Y124 WeakPolarHBondContact O-CB 3.48Å; R120-Y124 PolarHBondContact O-N 3.45Å; R120-Q125 PolarHBondContact O-N 2.91Å; R120-Q125 VanDerWaalsContact O-N 3.1Å; R120-E126 HydrophobicContact CB-CB 4.35Å; R120-E126 IonicContact CZ-OE2 2.68Å; R120-E126 IonicContact NE-OE2 2.76Å; R120-E126 PolarHBondContact NE-OE2 3.24Å; R120-E126 IonicContact NH2-OE2 3.97Å; R120-E126 PolarHBondContact NH2-OE2 2.85Å; R120-E126 PolarHBondContact O-N 2.91Å; R120-L128 HydrophobicContact CB-CD1 3.53Å; R120-L128 HydrophobicContact CG-CD1 4.28Å
121I94.9Very high92.8Very high50 Ų5053.8 Ų53.826%0.25627%0.267SS..Hα-helixtrans-68.7-51.4178.5-64.8166.9000111.9V117 I119 Q125 E126 L128 G129V117-I121 HydrophobicContact CG1-CD1 3.74Å; V117-I121 VanDerWaalsContact O-CG1 3.32Å; V117-I121 WeakPolarHBondContact O-CG1 3.21Å; V117-I121 PolarHBondContact O-N 3.34Å; I119-I121 PolarHBondContact O-N 2.91Å; I121-Q125 VanDerWaalsContact O-CA 3.3Å; I121-Q125 WeakPolarHBondContact O-CA 3.37Å; I121-Q125 PolarHBondContact O-N 2.9Å; I121-E126 WeakPolarHBondContact CA-O 3.34Å; I121-L128 HydrophobicContact CD1-CB 4.32Å; I121-L128 HydrophobicContact CG1-CB 4.21Å; I121-L128 HydrophobicContact CG1-CD1 4.36Å; I121-L128 HydrophobicContact CG1-CG 4.47Å; I121-G129 WeakPolarHBondContact CD1-O 3.47Å
122K94.7Very high92.2Very high81 Ų8156.2 Ų56.235%0.35228%0.28SS..Hα-helixtrans-87.4-29.1-166.9-66.1176.9174.1-77.70114.3K42 T43 M72 K118 I119K42-K122 HydrophobicContact CB-CB 4.06Å; K42-K122 HydrophobicContact CB-CD 4.17Å; K42-K122 HydrophobicContact CG-CB 4.16Å; T43-K122 WeakPolarHBondContact O-CE 3.33Å; T43-K122 PolarHBondContact O-NZ 3Å; M72-K122 HydrophobicContact SD-CB 4.29Å; M72-K122 HydrophobicContact SD-CD 4.22Å; K118-K122 WeakPolarHBondContact O-CB 3.26Å; K118-K122 WeakPolarHBondContact O-CG 3.14Å; K118-K122 PolarHBondContact O-N 2.8Å; I119-K122 PolarHBondContact O-N 3.1Å
123C95Very high91.9Very high24 Ų2461.5 Ų61.516%0.16230%0.303CS..Hα-helixtrans-104-37.3-176.4-57.70000111.9W24 L74 I119W24-C123 HydrophobicContact CH2-CB 4.11Å; W24-C123 HydrophobicContact CZ2-CB 4.28Å; L74-C123 HydrophobicContact CB-CB 4Å; L74-C123 HydrophobicContact CD2-CB 4.42Å; I119-C123 HydrophobicContact CG2-CB 4.34Å; I119-C123 WeakPolarHBondContact O-CA 3.47Å; I119-C123 WeakPolarHBondContact O-CB 3.46Å; I119-C123 PolarHBondContact O-N 2.93Å
124Y94.5Very high91.8Very high38 Ų3864.4 Ų64.415%0.14932%0.318CS..Hα-helixtrans-100-5.2179.1-63.5-66.7000114.4H22 W24 L74 I119 R120 E126H22-Y124 AromaticContact CE1-CE1 3.53Å; H22-Y124 AromaticContact ND1-CE1 3.22Å; H22-Y124 WeakPolarHBondContact ND1-CE1 3.38Å; H22-Y124 AromaticContact ND1-CZ 3.48Å; H22-Y124 PolarHBondContact ND1-OH 2.76Å; W24-Y124 HydrophobicContact CZ2-CE2 4.2Å; W24-Y124 PolarHBondContact NE1-OH 3.08Å; L74-Y124 HydrophobicContact CD2-CD1 3.78Å; L74-Y124 HydrophobicContact CD2-CE1 3.21Å; L74-Y124 HydrophobicContact CD2-CE2 4.49Å; I119-Y124 HydrophobicContact CG2-CD2 3.99Å; I119-Y124 HydrophobicContact CG2-CE2 3.75Å; I119-Y124 PolarHBondContact O-N 2.7Å; R120-Y124 CarbonylContact O-C 3.55Å; R120-Y124 WeakPolarHBondContact O-CA 3.48Å; R120-Y124 WeakPolarHBondContact O-CB 3.48Å; R120-Y124 PolarHBondContact O-N 3.45Å; Y124-E126 PolarHBondContact O-N 3.18Å
125Q94.1Very high91.7Very high174 Ų17464.8 Ų64.881%0.81332%0.321SS*.  trans59.528.3178.7-51.5178.717.800113.3R120 I121R120-Q125 PolarHBondContact O-N 2.91Å; R120-Q125 VanDerWaalsContact O-N 3.1Å; I121-Q125 VanDerWaalsContact O-CA 3.3Å; I121-Q125 WeakPolarHBondContact O-CA 3.37Å; I121-Q125 PolarHBondContact O-N 2.9Å
126E94.3Very high91.6Very high43 Ų4372.4 Ų72.420%0.20135%0.349CS..  trans-76.1143.3174.6-62.8-178-167.500110.8R19 R120 I121 Y124 L128R19-E126 IonicContact CZ-OE1 3.73Å; R19-E126 IonicContact NE-OE1 3.5Å; R19-E126 IonicContact NH2-OE1 2.7Å; R19-E126 PolarHBondContact NH2-OE1 3.16Å; R120-E126 HydrophobicContact CB-CB 4.35Å; R120-E126 IonicContact CZ-OE2 2.68Å; R120-E126 IonicContact NE-OE2 2.76Å; R120-E126 PolarHBondContact NE-OE2 3.24Å; R120-E126 IonicContact NH2-OE2 3.97Å; R120-E126 PolarHBondContact NH2-OE2 2.85Å; R120-E126 PolarHBondContact O-N 2.91Å; I121-E126 WeakPolarHBondContact CA-O 3.34Å; Y124-E126 PolarHBondContact O-N 3.18Å; E126-L128 HydrophobicContact CB-CG 4.27Å
127D92.1Very high91.5Very high157 Ų15777.8 Ų77.884%0.8438%0.378SS*.  trans-93.7107173.1-171.16.2000110.6G129D127-G129 PolarHBondContact OD1-N 3.13Å
128L88.6Confident91.5Very high40 Ų4077.9 Ų77.921%0.20938%0.378CS..  trans-123.12.8-178.6-57.7174.3000112.7V117 R120 I121 E126 Q131V117-L128 HydrophobicContact CG1-CD1 4.48Å; R120-L128 HydrophobicContact CB-CD1 3.53Å; R120-L128 HydrophobicContact CG-CD1 4.28Å; I121-L128 HydrophobicContact CD1-CB 4.32Å; I121-L128 HydrophobicContact CG1-CB 4.21Å; I121-L128 HydrophobicContact CG1-CD1 4.36Å; I121-L128 HydrophobicContact CG1-CG 4.47Å; E126-L128 HydrophobicContact CB-CG 4.27Å; L128-Q131 PolarHBondContact O-NE2 2.75Å
129G85.1Confident91.4Very high42 Ų4282.3 Ų82.343%0.43340%0.403SS..  trans61.5-165-170.500000114.3I121 D127 Q131I121-G129 WeakPolarHBondContact CD1-O 3.47Å; D127-G129 PolarHBondContact OD1-N 3.13Å; G129-Q131 PolarHBondContact O-N 2.79Å
130E75.3Confident91.2Very high175 Ų17584.8 Ų84.882%0.81842%0.418SS*.  trans-88.598.1174.6-68.9-156.5147.100111.4
131Q80.9Confident90.9Very high109 Ų10989.2 Ų89.251%0.50944%0.439SS..  trans-111.6115.3169.6-54.7-178.414.300108.5V117 L128 G129V117-Q131 HydrophobicContact CG1-CB 4.23Å; L128-Q131 PolarHBondContact O-NE2 2.75Å; G129-Q131 PolarHBondContact O-N 2.79Å
132N84Confident90.3Very high54 Ų5489.5 Ų89.529%0.28945%0.446SS..  trans-141.4101.5176.2-62.4-63.6000110.8R46 N114 K118R46-N132 PolarHBondContact NH2-O 3.4Å; N114-N132 VanDerWaalsContact OD1-CA 3.29Å; N114-N132 WeakPolarHBondContact OD1-CA 3.2Å; K118-N132 WeakPolarHBondContact CE-OD1 3.2Å
133K91.4Very high90Very high111 Ų11190.8 Ų90.848%0.48346%0.463SS..PPolyproline II helixtrans-63.8139171.3-71.9178.3178.7-171.70111R46 V110 E113 N114R46-K133 PolarHBondContact NH2-O 2.78Å; V110-K133 HydrophobicContact CG1-CB 3.97Å; E113-K133 IonicContact OE1-NZ 2.71Å; E113-K133 PolarHBondContact OE1-NZ 2.84Å; E113-K133 WeakPolarHBondContact OE2-CD 3.22Å; E113-K133 WeakPolarHBondContact OE2-CE 3.43Å; E113-K133 IonicContact OE2-NZ 3.18Å; E113-K133 PolarHBondContact OE2-NZ 2.67Å; N114-K133 PolarHBondContact ND2-O 3.23Å; N114-K133 PolarHBondContact OD1-N 3.34Å
134M92.4Very high89.7Confident114 Ų11492.4 Ų92.456%0.56247%0.468SS*.PPolyproline II helixtrans-84.7138.3-179.2-68.6-65.7-70.300110.6
135P93.9Very high89.6Confident11 Ų1193.8 Ų93.87%0.07148%0.476CS..PPolyproline II helixtrans-63.915417430.8-37.4000110.3N137P135-N137 PolarHBondContact O-N 2.68Å
136R94.3Very high89.5Confident160 Ų16089 Ų8960%0.60446%0.459SS*.PPolyproline II helixtrans-64.4134.1167.3-64.8-169.2-169.1-91.66.8109.3S49 D106 N107S49-R136 WeakPolarHBondContact CB-O 3.05Å; S49-R136 PolarHBondContact OG-O 2.88Å; D106-R136 IonicContact OD2-CZ 2.67Å; D106-R136 VanDerWaalsContact OD2-CZ 3.31Å; D106-R136 IonicContact OD2-NE 2.75Å; D106-R136 PolarHBondContact OD2-NE 3.32Å; D106-R136 IonicContact OD2-NH2 3.58Å; D106-R136 PolarHBondContact OD2-NH2 2.92Å; D106-R136 VanDerWaalsContact OD2-NH2 3.13Å; N107-R136 PolarHBondContact ND2-O 2.75Å; N107-R136 PolarHBondContact OD1-N 3.39Å; N107-R136 PolarHBondContact OD1-O 3.39Å
137N94.8Very high89.5Confident121 Ų12189.2 Ų89.265%0.64747%0.474SS*.PPolyproline II helixtrans-82.4141.4175.8-73-30.8000110.5P135P135-N137 PolarHBondContact O-N 2.68Å
138L94.3Very high89.7Confident21 Ų2184.3 Ų84.311%0.1145%0.445CS..PPolyproline II helixtrans-89156.1166.3-58.4177.9000110A50 R51 P62 N64 V140A50-L138 WeakPolarHBondContact O-CD1 3.31Å; R51-L138 HydrophobicContact CG-CD1 3.92Å; P62-L138 HydrophobicContact CB-CB 3.91Å; P62-L138 HydrophobicContact CB-CD1 3.8Å; N64-L138 PolarHBondContact ND2-O 3.05Å; N64-L138 WeakPolarHBondContact OD1-CB 3.47Å; N64-L138 PolarHBondContact OD1-N 3.33Å; L138-V140 HydrophobicContact CB-CG2 4.41Å; L138-V140 PolarHBondContact O-N 3.19Å
139D94.1Very high90.1Very high115 Ų11582.6 Ų82.662%0.61544%0.437SS*.  trans-68102.5169.217925.9000109.8P62 K141P62-D139 VanDerWaalsContact CG-O 3.27Å; P62-D139 WeakPolarHBondContact CG-O 3.45Å; D139-K141 VanDerWaalsContact OD2-CE 3.29Å; D139-K141 WeakPolarHBondContact OD2-CE 3.46Å
140V91.9Very high90.6Very high52 Ų5281.8 Ų81.832%0.31542%0.422SS..  trans-111.9109.5-178.2179.10000108.8P62 L138 S142P62-V140 HydrophobicContact CB-CG2 3.98Å; P62-V140 HydrophobicContact CG-CG2 4Å; L138-V140 HydrophobicContact CB-CG2 4.41Å; L138-V140 PolarHBondContact O-N 3.19Å; V140-S142 WeakPolarHBondContact CG1-O 3.46Å
141K88.4Confident91.5Very high181 Ų18173.4 Ų73.479%0.78738%0.383SS*.  trans-87-0.6-176.1-58.6-173.6179.4-175.80114.8D139D139-K141 VanDerWaalsContact OD2-CE 3.29Å; D139-K141 WeakPolarHBondContact OD2-CE 3.46Å
142S82.9Confident92.2Very high56 Ų5670 Ų7039%0.39237%0.37SS..SBendtrans-132.5145.6-175.5-630000110.3V140V140-S142 WeakPolarHBondContact CG1-O 3.46Å
143P86.8Confident92.7Very high109 Ų10973.3 Ų73.371%0.70838%0.382SS*.  trans-61.6160176.427.9-35.1000111E145P143-E145 PolarHBondContact O-N 3.24Å
144H89.9Confident92.8Very high58 Ų5871.5 Ų71.527%0.26938%0.377SS..  trans-63.9133.7171.4-173.167.4000110.6L65 P146 C149 C152L65-H144 HydrophobicContact CD1-CB 3.72Å; H144-P146 WeakPolarHBondContact O-CD 3.39Å; H144-C149 VanDerWaalsContact CE1-SG 3.53Å; H144-C152 PolarHBondContact NE2-SG 3.49Å
145E91.4Very high92.8Very high67 Ų6769.2 Ų69.231%0.31338%0.383SS..  trans-113.298.3-177.8-65.7177.5-117.400109.7K91 P143 G147 H148K91-E145 WeakPolarHBondContact CD-OE1 3.47Å; K91-E145 WeakPolarHBondContact CD-OE2 3.38Å; K91-E145 WeakPolarHBondContact CE-OE1 3.43Å; K91-E145 IonicContact NZ-OE1 2.68Å; K91-E145 PolarHBondContact NZ-OE1 3.14Å; P143-E145 PolarHBondContact O-N 3.24Å; E145-G147 VanDerWaalsContact C-N 3.26Å; E145-G147 PolarHBondContact O-N 2.85Å; E145-H148 HydrophobicContact CB-CB 4.48Å; E145-H148 PolarHBondContact O-N 2.86Å; E145-H148 IonicContact OE2-CD2 2.79Å
146P93.3Very high92.7Very high72 Ų7269.2 Ų69.247%0.46838%0.382SS..G310 helixtrans-58-33.8-172.9-2936.6000114.6H144 H148 C149 C152H144-P146 WeakPolarHBondContact O-CD 3.39Å; P146-H148 PolarHBondContact O-N 2.89Å; P146-H148 VanDerWaalsContact O-N 3.14Å; P146-C149 PolarHBondContact O-N 3.07Å; P146-C149 VanDerWaalsContact O-N 3.13Å; P146-C152 HydrophobicContact CB-CB 3.84Å; P146-C152 WeakPolarHBondContact O-CB 3.42Å
147G94.3Very high92.5Very high49 Ų4962.5 Ų62.551%0.50536%0.36SS..G310 helixtrans-62.2-20.1177.500000113.9E145 K153E145-G147 VanDerWaalsContact C-N 3.26Å; E145-G147 PolarHBondContact O-N 2.85Å; G147-K153 WeakPolarHBondContact O-CE 3.08Å; G147-K153 PolarHBondContact O-NZ 3Å
148H95.3Very high91.4Very high54 Ų5461.5 Ų61.525%0.2536%0.358CS..G310 helixtrans-104.60.4179.9-63.8-60000114Q88 N89 K91 E145 P146Q88-H148 CarbonylContact C-O 3.55Å; Q88-H148 WeakPolarHBondContact CA-O 3.45Å; Q88-H148 WeakPolarHBondContact CB-O 3.33Å; N89-H148 PolarHBondContact N-O 3.22Å; N89-H148 WeakPolarHBondContact OD1-CA 3.32Å; N89-H148 WeakPolarHBondContact OD1-CB 3.47Å; N89-H148 PolarHBondContact OD1-ND1 2.79Å; K91-H148 WeakPolarHBondContact CB-NE2 3.27Å; E145-H148 HydrophobicContact CB-CB 4.48Å; E145-H148 PolarHBondContact O-N 2.86Å; E145-H148 IonicContact OE2-CD2 2.79Å; P146-H148 PolarHBondContact O-N 2.89Å; P146-H148 VanDerWaalsContact O-N 3.14Å
149C96.3Very high89.5Confident4 Ų470.1 Ų70.13%0.02739%0.394CS..BIsolated β-bridgetrans-108.1121.2-175.5179.20000111.7H144 P146 G151 C152 K153H144-C149 VanDerWaalsContact CE1-SG 3.53Å; P146-C149 PolarHBondContact O-N 3.07Å; P146-C149 VanDerWaalsContact O-N 3.13Å; C149-G151 VanDerWaalsContact C-N 3.29Å; C149-G151 PolarHBondContact O-N 3.49Å; C149-G151 PolarHBondContact SG-N 3.1Å; C149-C152 HydrophobicContact CB-CB 3.99Å; C149-C152 PolarHBondContact O-N 2.99Å; C149-C152 PolarHBondContact SG-N 3.45Å; C149-K153 WeakPolarHBondContact O-CG 3.12Å; C149-K153 PolarHBondContact O-N 2.86Å; C149-K153 VanDerWaalsContact O-N 3.13Å
150E95.9Very high87.1Confident24 Ų2474.9 Ų74.911%0.11241%0.413CS..Hα-helixtrans-61.5-38.4175.2-177.2177.3-145.500111.6R84 L86 R87 M98 C152 K153 L154R84-E150 IonicContact CZ-OE1 2.69Å; R84-E150 IonicContact NH2-OE1 3.51Å; R84-E150 PolarHBondContact NH2-OE1 2.86Å; L86-E150 WeakPolarHBondContact CA-OE2 3.29Å; L86-E150 HydrophobicContact CB-CB 4.25Å; L86-E150 HydrophobicContact CB-CG 4.43Å; L86-E150 HydrophobicContact CD1-CG 4.47Å; L86-E150 HydrophobicContact CD2-CG 4.36Å; R87-E150 HydrophobicContact CB-CB 4.38Å; R87-E150 WeakPolarHBondContact CB-OE2 3.25Å; R87-E150 WeakPolarHBondContact CG-OE2 3.4Å; R87-E150 PolarHBondContact N-OE2 2.74Å; R87-E150 WeakPolarHBondContact O-CB 3.29Å; R87-E150 PolarHBondContact O-N 3.04Å; M98-E150 HydrophobicContact CE-CB 4.34Å; M98-E150 HydrophobicContact SD-CB 4.31Å; E150-C152 VanDerWaalsContact C-N 3.33Å; E150-C152 PolarHBondContact O-N 3.28Å; E150-K153 PolarHBondContact O-N 3.46Å; E150-K153 VanDerWaalsContact O-N 3.15Å; E150-L154 HydrophobicContact CG-CD1 3.96Å; E150-L154 HydrophobicContact CG-CG 4.39Å; E150-L154 WeakPolarHBondContact O-CG 3.48Å; E150-L154 PolarHBondContact O-N 2.56Å
151G95.2Very high86.9Confident0 Ų076 Ų760%042%0.418CS..Hα-helixtrans-61.8-37.4177.100000113.8L86 C149 L154 G155 I156 C157L86-G151 VanDerWaalsContact CD1-CA 3.46Å; C149-G151 VanDerWaalsContact C-N 3.29Å; C149-G151 PolarHBondContact O-N 3.49Å; C149-G151 PolarHBondContact SG-N 3.1Å; G151-L154 PolarHBondContact O-N 3.4Å; G151-G155 PolarHBondContact O-N 3.26Å; G151-G155 VanDerWaalsContact O-N 3.17Å; G151-I156 PolarHBondContact O-N 3.42Å; G151-C157 PolarHBondContact O-N 3.27Å
152C95.2Very high86.8Confident36 Ų3670.5 Ų70.524%0.24340%0.398CS..Hα-helixtrans-68.2-41.8173.1-70.60000111.6H144 P146 C149 E150 L154 G155 C157H144-C152 PolarHBondContact NE2-SG 3.49Å; P146-C152 HydrophobicContact CB-CB 3.84Å; P146-C152 WeakPolarHBondContact O-CB 3.42Å; C149-C152 HydrophobicContact CB-CB 3.99Å; C149-C152 PolarHBondContact O-N 2.99Å; C149-C152 PolarHBondContact SG-N 3.45Å; E150-C152 VanDerWaalsContact C-N 3.33Å; E150-C152 PolarHBondContact O-N 3.28Å; C152-L154 PolarHBondContact O-N 3.47Å; C152-G155 PolarHBondContact O-N 2.9Å; C152-C157 HydrophobicContact CB-CB 4.41Å; C152-C157 WeakPolarHBondContact SG-CB 3.25Å
153K94.1Very high87Confident125 Ų12571.3 Ų71.354%0.54340%0.399SS..Hα-helixtrans-62.8-31.3176.8-67.3179.4-173.8-169.80112.5M98 G147 C149 E150 G155M98-K153 HydrophobicContact CE-CD 3.88Å; G147-K153 WeakPolarHBondContact O-CE 3.08Å; G147-K153 PolarHBondContact O-NZ 3Å; C149-K153 WeakPolarHBondContact O-CG 3.12Å; C149-K153 PolarHBondContact O-N 2.86Å; C149-K153 VanDerWaalsContact O-N 3.13Å; E150-K153 PolarHBondContact O-N 3.46Å; E150-K153 VanDerWaalsContact O-N 3.15Å; K153-G155 VanDerWaalsContact C-N 3.33Å
154L93.3Very high87Confident72 Ų7269.1 Ų69.138%0.37738%0.381SS..THydrogen-bonded Turntrans-86.2-0.8174.2-66.1175.2000113.6P34 L86 E150 G151 C152 I156P34-L154 HydrophobicContact CG-CD1 3.99Å; L86-L154 HydrophobicContact CD1-CD1 3.83Å; L86-L154 HydrophobicContact CD2-CD1 4.17Å; E150-L154 HydrophobicContact CG-CD1 3.96Å; E150-L154 HydrophobicContact CG-CG 4.39Å; E150-L154 WeakPolarHBondContact O-CG 3.48Å; E150-L154 PolarHBondContact O-N 2.56Å; G151-L154 PolarHBondContact O-N 3.4Å; C152-L154 PolarHBondContact O-N 3.47Å; L154-I156 VanDerWaalsContact C-N 3.3Å; L154-I156 HydrophobicContact CB-CG1 4.37Å; L154-I156 PolarHBondContact O-N 3.47Å
155G92.9Very high86.8Confident66 Ų6669.8 Ų69.868%0.6839%0.388SS*.THydrogen-bonded Turntrans71.316177.600000115.5G151 C152 K153G151-G155 PolarHBondContact O-N 3.26Å; G151-G155 VanDerWaalsContact O-N 3.17Å; C152-G155 PolarHBondContact O-N 2.9Å; K153-G155 VanDerWaalsContact C-N 3.33Å
156I92.1Very high86.5Confident12 Ų1269.9 Ų69.96%0.06239%0.393CS..  trans-109.3-4.7-176.465.5157.6000114.5P34 L45 M67 V69 L86 G151 L154 T158P34-I156 HydrophobicContact CB-CD1 3.82Å; P34-I156 HydrophobicContact CB-CG2 3.76Å; P34-I156 HydrophobicContact CG-CD1 3.72Å; P34-I156 HydrophobicContact CG-CG1 4.43Å; P34-I156 HydrophobicContact CG-CG2 4.24Å; L45-I156 HydrophobicContact CD1-CB 4.22Å; L45-I156 HydrophobicContact CD1-CD1 4.4Å; L45-I156 HydrophobicContact CD1-CG2 4.26Å; L45-I156 HydrophobicContact CD2-CD1 4.2Å; M67-I156 HydrophobicContact CB-CD1 4.01Å; M67-I156 HydrophobicContact CG-CD1 4.34Å; M67-I156 HydrophobicContact CG-CG1 4.39Å; V69-I156 HydrophobicContact CG2-CD1 4.11Å; L86-I156 HydrophobicContact CD1-CD1 3.62Å; L86-I156 HydrophobicContact CD1-CG1 4.16Å; G151-I156 PolarHBondContact O-N 3.42Å; L154-I156 VanDerWaalsContact C-N 3.3Å; L154-I156 HydrophobicContact CB-CG1 4.37Å; L154-I156 PolarHBondContact O-N 3.47Å; I156-T158 PolarHBondContact O-N 2.9Å
157C90.1Very high86Confident19 Ų1969.8 Ų69.813%0.12839%0.387CS..  trans-75112173.9-166.40000108.4M67 G151 C152 K159M67-C157 HydrophobicContact CG-CB 4.43Å; G151-C157 PolarHBondContact O-N 3.27Å; C152-C157 HydrophobicContact CB-CB 4.41Å; C152-C157 WeakPolarHBondContact SG-CB 3.25Å; C157-K159 PolarHBondContact O-N 3.02Å
158T71.9Confident85.4Confident100 Ų10071.4 Ų71.461%0.61338%0.378SS*.  trans-71.5112.7172.153.90000107.7I156 Q160I156-T158 PolarHBondContact O-N 2.9Å; T158-Q160 PolarHBondContact O-N 3.4Å
159K53.3Low84.6Confident201 Ų20172.8 Ų72.887%0.87439%0.389SS*.  trans-51134.1173.4-65.5-179.6-180178.50108.8C157C157-K159 PolarHBondContact O-N 3.02Å
160Q44.8Very low83.5Confident215 Ų21579.1 Ų79.1100%1.00542%0.422SS*.  trans-78.70152.9-90180-2100107.9T158T158-Q160 PolarHBondContact O-N 3.4Å

Retrieved 160 of 160 residues in 128.3 ms (Link to these results)

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