A0A096NSU8_PAPAN Loading...

Growth factor receptor-bound protein 2

AlphaFold DB (P62994), UniProt , Accession A0A096NSU8, Species PAPAN (Papio anubis, Olive baboon), Gene GRB2, Length 217 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
1M85.2Confident93.1Very high14 Ų1457.5 Ų57.57%0.06927%0.272CS..  0162.70-57.9-50.2-81.800109.4K26 V27 M55 H58 W60 F61 L128M1-K26 CarbonylContact O-C 3.5Å; M1-K26 WeakPolarHBondContact O-CA 3.44Å; M1-V27 PolarHBondContact N-O 3.26Å; M1-V27 PolarHBondContact O-N 3.37Å; M1-M55 HydrophobicContact CB-CE 3.75Å; M1-H58 HydrophobicContact CE-CB 3.01Å; M1-H58 WeakPolarHBondContact CE-CD2 2.97Å; M1-W60 HydrophobicContact CE-CH2 3.47Å; M1-W60 VanDerWaalsContact CE-CH2 3.47Å; M1-W60 HydrophobicContact CE-CZ2 4.06Å; M1-W60 HydrophobicContact CE-CZ3 3.78Å; M1-W60 HydrophobicContact SD-CH2 3.89Å; M1-W60 HydrophobicContact SD-CZ3 4.14Å; M1-F61 HydrophobicContact CE-CB 3.54Å; M1-F61 HydrophobicContact CE-CD1 4.19Å; M1-F61 HydrophobicContact CE-CD2 4.44Å; M1-F61 HydrophobicContact CE-CG 3.81Å; M1-F61 HydrophobicContact SD-CB 4.34Å; M1-F61 HydrophobicContact SD-CD1 4.37Å; M1-F61 HydrophobicContact SD-CD2 4.18Å; M1-F61 HydrophobicContact SD-CG 4.04Å; M1-L128 HydrophobicContact SD-CB 4.46Å; M1-L128 HydrophobicContact SD-CD1 3.97Å
2E90.4Very high93Very high10 Ų1063.3 Ų63.35%0.04731%0.313CS..EExtended strand (participates in β ladder)trans-94.1145.3172.6-71.2-173.6177.900112.9I24 L25 K56 S127 N129E2-I24 HydrophobicContact CB-CG2 4.06Å; E2-I24 HydrophobicContact CG-CG2 3.85Å; E2-L25 CarbonylContact C-O 3.56Å; E2-L25 WeakPolarHBondContact CA-O 3.2Å; E2-K56 HydrophobicContact CB-CB 4.28Å; E2-K56 HydrophobicContact CB-CD 3.91Å; E2-K56 HydrophobicContact CB-CG 4.24Å; E2-K56 PolarHBondContact O-N 2.69Å; E2-K56 WeakPolarHBondContact OE2-CD 3.27Å; E2-K56 WeakPolarHBondContact OE2-CE 3.4Å; E2-K56 IonicContact OE2-NZ 3.38Å; E2-K56 PolarHBondContact OE2-NZ 3.49Å; E2-S127 VanDerWaalsContact CD-OG 3.28Å; E2-S127 VanDerWaalsContact CG-CB 3.5Å; E2-S127 WeakPolarHBondContact CG-OG 3.35Å; E2-S127 VanDerWaalsContact OE1-CB 3.28Å; E2-S127 WeakPolarHBondContact OE1-CB 3.23Å; E2-S127 PolarHBondContact OE1-OG 3.19Å; E2-N129 HydrophobicContact CB-CB 4.37Å; E2-N129 HydrophobicContact CG-CB 3.9Å; E2-N129 PolarHBondContact N-OD1 2.93Å
3A90.9Very high92.9Very high0 Ų061.3 Ų61.30%031%0.314CS..EExtended strand (participates in β ladder)trans-131.4149.5166.600000110.1I24 L25 V27 I53 E54 M55A3-I24 WeakPolarHBondContact O-CA 3.31Å; A3-L25 PolarHBondContact N-O 2.85Å; A3-L25 PolarHBondContact O-N 2.76Å; A3-V27 HydrophobicContact CB-CG2 3.74Å; A3-I53 HydrophobicContact CB-CB 4.13Å; A3-I53 HydrophobicContact CB-CD1 3.69Å; A3-I53 HydrophobicContact CB-CG1 4.48Å; A3-E54 CarbonylContact C-O 3.55Å; A3-E54 VanDerWaalsContact CA-O 3.25Å; A3-E54 WeakPolarHBondContact CA-O 3.24Å; A3-M55 HydrophobicContact CB-SD 3.78Å
4I92.7Very high92.8Very high64 Ų6468.9 Ų68.933%0.32836%0.355SS..EExtended strand (participates in β ladder)trans-100.4134.3172.9-170.4166000110K6 I53 E54I4-K6 PolarHBondContact O-N 2.98Å; I4-I53 CarbonylContact O-C 3.52Å; I4-I53 VanDerWaalsContact O-CA 3.28Å; I4-I53 WeakPolarHBondContact O-CA 3.02Å; I4-E54 HydrophobicContact CG2-CB 3.84Å; I4-E54 PolarHBondContact N-O 2.95Å; I4-E54 PolarHBondContact O-N 3.5Å
5A95.4Very high92.7Very high3 Ų369.7 Ų69.73%0.02536%0.36CS..EExtended strand (participates in β ladder)trans-72.4119.7173.500000110.9F19 K20 G22 D23 L25A5-F19 HydrophobicContact CB-CD2 3.44Å; A5-F19 VanDerWaalsContact CB-CD2 3.44Å; A5-F19 HydrophobicContact CB-CE2 3.77Å; A5-F19 HydrophobicContact CB-CG 4.42Å; A5-K20 WeakPolarHBondContact CB-O 3.44Å; A5-G22 PolarHBondContact O-N 2.79Å; A5-D23 HydrophobicContact CB-CB 4.39Å; A5-D23 PolarHBondContact N-O 2.69Å; A5-L25 HydrophobicContact CB-CD1 4.24Å
6K94.5Very high92.8Very high71 Ų7167.4 Ų67.431%0.30935%0.347SS..SBendtrans-80.3-28.1175.6-62.9-176.9-57.3-1470112.5I4 R21 N51 Y52 I53 E54I4-K6 PolarHBondContact O-N 2.98Å; K6-R21 WeakPolarHBondContact O-CD 3.42Å; K6-R21 WeakPolarHBondContact O-CG 3.17Å; K6-N51 WeakPolarHBondContact CE-O 3.41Å; K6-N51 PolarHBondContact NZ-O 2.95Å; K6-Y52 WeakPolarHBondContact CB-O 3.2Å; K6-Y52 PolarHBondContact N-O 3.06Å; K6-I53 VanDerWaalsContact CE-O 3.23Å; K6-I53 WeakPolarHBondContact CE-O 3.48Å; K6-I53 PolarHBondContact NZ-O 3.41Å; K6-E54 HydrophobicContact CD-CB 4.09Å; K6-E54 HydrophobicContact CG-CB 4.11Å
7Y94.7Very high92.9Very high134 Ų13464.1 Ų64.153%0.52533%0.33SS..SBendtrans-137.8163.7-177.4-48.2-70000110.5F19 Y52Y7-F19 WeakPolarHBondContact O-CE2 3.47Å; Y7-Y52 HydrophobicContact CD2-CD1 4.17Å; Y7-Y52 HydrophobicContact CD2-CG 4.23Å; Y7-Y52 HydrophobicContact CG-CD1 4.43Å
8D96.1Very high93Very high106 Ų10663.8 Ų63.857%0.56734%0.335SS*.  trans-71.9140.8168.4-65.7-1.2000109.3R21 Y52D8-R21 VanDerWaalsContact OD1-CB 3.28Å; D8-R21 WeakPolarHBondContact OD1-CB 3.27Å; D8-R21 PolarHBondContact OD1-N 3Å; D8-Y52 WeakPolarHBondContact O-CE1 3.09Å
9F95.7Very high93.2Very high27 Ų2760.9 Ų60.912%0.11832%0.319CS..BIsolated β-bridgetrans-134.6128.7173.9179.7-108.3000109.9E16 L17 S18 F19 W36 P49 Y52F9-E16 HydrophobicContact CE1-CB 4.28Å; F9-L17 VanDerWaalsContact CD1-O 3.3Å; F9-L17 WeakPolarHBondContact CD1-O 3.32Å; F9-S18 WeakPolarHBondContact O-CA 3.24Å; F9-F19 HydrophobicContact CB-CD1 4.07Å; F9-F19 HydrophobicContact CB-CD2 4Å; F9-F19 HydrophobicContact CB-CE1 3.57Å; F9-F19 HydrophobicContact CB-CE2 3.53Å; F9-F19 HydrophobicContact CB-CG 4.27Å; F9-F19 HydrophobicContact CB-CZ 3.29Å; F9-F19 HydrophobicContact CD1-CD1 4.11Å; F9-F19 AromaticContact CD1-CE1 3.56Å; F9-F19 HydrophobicContact CD1-CE1 3.56Å; F9-F19 HydrophobicContact CD1-CZ 4.08Å; F9-F19 AromaticContact CG-CE1 3.87Å; F9-F19 HydrophobicContact CG-CE1 3.87Å; F9-F19 AromaticContact CG-CZ 3.9Å; F9-F19 HydrophobicContact CG-CZ 3.9Å; F9-F19 PolarHBondContact N-O 3.1Å; F9-F19 PolarHBondContact O-N 2.9Å; F9-F19 VanDerWaalsContact O-O 3.07Å; F9-W36 HydrophobicContact CE1-CZ3 4.33Å; F9-W36 HydrophobicContact CE2-CH2 4.4Å; F9-W36 AromaticContact CZ-CH2 3.82Å; F9-W36 HydrophobicContact CZ-CH2 3.82Å; F9-W36 AromaticContact CZ-CZ3 3.92Å; F9-W36 HydrophobicContact CZ-CZ3 3.92Å; F9-P49 HydrophobicContact CD1-CG 4.31Å; F9-P49 HydrophobicContact CD2-CG 3.67Å; F9-P49 HydrophobicContact CE1-CG 4.33Å; F9-P49 HydrophobicContact CE2-CG 3.7Å; F9-P49 HydrophobicContact CG-CG 4Å; F9-P49 HydrophobicContact CZ-CG 4.05Å; F9-Y52 HydrophobicContact CB-CD1 3.97Å; F9-Y52 HydrophobicContact CB-CE1 4.4Å; F9-Y52 HydrophobicContact CD2-CD1 4.29Å; F9-Y52 HydrophobicContact CD2-CE1 4.23Å
10K95.6Very high93.4Very high175 Ų17565 Ų6576%0.76133%0.334SS*.  trans-111.1120.4175.7-172.3178.6-179.1-175.70108.1T12K10-T12 PolarHBondContact O-N 2.74Å
11A93.6Very high93.5Very high29 Ų2970.9 Ų70.924%0.2435%0.352CS..  trans-55.1131177.100000110.6E16 S18A11-E16 WeakPolarHBondContact CA-OE2 3.35Å; A11-E16 HydrophobicContact CB-CB 3.66Å; A11-E16 WeakPolarHBondContact CB-O 3.28Å; A11-S18 VanDerWaalsContact CB-OG 3.23Å; A11-S18 WeakPolarHBondContact CB-OG 3.23Å; A11-S18 PolarHBondContact N-OG 3.3Å
12T91.4Very high93.9Very high126 Ų12672.2 Ų72.277%0.77337%0.37SS*.SBendtrans-103.5-22.3174.960.20000112.1K10 E16K10-T12 PolarHBondContact O-N 2.74Å; T12-E16 WeakPolarHBondContact CA-OE2 3.47Å; T12-E16 PolarHBondContact N-OE2 2.78Å; T12-E16 PolarHBondContact OG1-OE1 3.24Å; T12-E16 PolarHBondContact OG1-OE2 3.07Å
13A91.5Very high94.1Very high38 Ų3874.2 Ų74.231%0.31438%0.381SS..SBendtrans-116.7164.9171.600000111.7D15 E16A13-D15 VanDerWaalsContact C-N 3.35Å; A13-D15 VanDerWaalsContact CB-OD1 3.23Å; A13-D15 WeakPolarHBondContact CB-OD1 3.35Å; A13-E16 HydrophobicContact CB-CG 4.04Å; A13-E16 PolarHBondContact N-OE2 2.82Å; A13-E16 VanDerWaalsContact N-OE2 3.11Å; A13-E16 PolarHBondContact O-N 2.78Å
14D91.9Very high94.2Very high167 Ų16778 Ų7889%0.89340%0.4SS*.THydrogen-bonded Turntrans-76.2-21.4-177.656.9-45.3000113.7
15D91.8Very high94.2Very high82 Ų8275 Ų7544%0.43939%0.385SS..THydrogen-bonded Turntrans-89.9-1.2174.366.2-22.9000113.4A13 G46 F47A13-D15 VanDerWaalsContact C-N 3.35Å; A13-D15 VanDerWaalsContact CB-OD1 3.23Å; A13-D15 WeakPolarHBondContact CB-OD1 3.35Å; D15-G46 CarbonylContact O-C 3.38Å; D15-G46 WeakPolarHBondContact O-CA 3.22Å; D15-F47 HydrophobicContact CB-CD2 4.03Å; D15-F47 HydrophobicContact CB-CE2 4.32Å; D15-F47 WeakPolarHBondContact O-CD2 3.45Å; D15-F47 PolarHBondContact O-N 2.85Å; D15-F47 WeakPolarHBondContact OD2-CD2 3.29Å
16E93.9Very high94Very high32 Ų3275.4 Ų75.415%0.1539%0.386CS..BIsolated β-bridgetrans-92.1147.1179-72.5174.817700112.8F9 A11 T12 A13 W36 F47F9-E16 HydrophobicContact CE1-CB 4.28Å; A11-E16 WeakPolarHBondContact CA-OE2 3.35Å; A11-E16 HydrophobicContact CB-CB 3.66Å; A11-E16 WeakPolarHBondContact CB-O 3.28Å; T12-E16 WeakPolarHBondContact CA-OE2 3.47Å; T12-E16 PolarHBondContact N-OE2 2.78Å; T12-E16 PolarHBondContact OG1-OE1 3.24Å; T12-E16 PolarHBondContact OG1-OE2 3.07Å; A13-E16 HydrophobicContact CB-CG 4.04Å; A13-E16 PolarHBondContact N-OE2 2.82Å; A13-E16 VanDerWaalsContact N-OE2 3.11Å; A13-E16 PolarHBondContact O-N 2.78Å; E16-W36 HydrophobicContact CG-CH2 4.14Å; E16-W36 HydrophobicContact CG-CZ3 3.89Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.25Å; E16-F47 WeakPolarHBondContact CA-O 3.4Å
17L93.9Very high93.7Very high11 Ų1172.4 Ų72.46%0.05837%0.373CS..PPolyproline II helixtrans-104118.4179.4-178.266.7000110.8F9 F19 L25 A39 L41 K44 F47 I48F9-L17 VanDerWaalsContact CD1-O 3.3Å; F9-L17 WeakPolarHBondContact CD1-O 3.32Å; L17-F19 VanDerWaalsContact O-CD1 3.25Å; L17-F19 WeakPolarHBondContact O-CD1 3.34Å; L17-L25 HydrophobicContact CD2-CD2 4.24Å; L17-A39 HydrophobicContact CD2-CB 4.37Å; L17-L41 HydrophobicContact CD1-CB 4.3Å; L17-L41 HydrophobicContact CD2-CB 3.79Å; L17-L41 HydrophobicContact CG-CB 4.34Å; L17-K44 HydrophobicContact CD1-CB 3.94Å; L17-F47 PolarHBondContact N-O 2.95Å; L17-I48 HydrophobicContact CB-CG2 3.76Å; L17-I48 HydrophobicContact CD2-CG2 4.1Å; L17-I48 HydrophobicContact CG-CG2 4.31Å
18S95.9Very high93.2Very high59 Ų5969.1 Ų69.141%0.41336%0.364SS..PPolyproline II helixtrans-76.6141.8173.1-59.40000111.6F9 A11F9-S18 WeakPolarHBondContact O-CA 3.24Å; A11-S18 VanDerWaalsContact CB-OG 3.23Å; A11-S18 WeakPolarHBondContact CB-OG 3.23Å; A11-S18 PolarHBondContact N-OG 3.3Å
19F96.5Very high92.3Very high9 Ų966.9 Ų66.94%0.03935%0.353CS..BIsolated β-bridgetrans-152.4161.8177.954.8-96.3000111.4A5 Y7 F9 L17 D23 L25 L41 I48 I53A5-F19 HydrophobicContact CB-CD2 3.44Å; A5-F19 VanDerWaalsContact CB-CD2 3.44Å; A5-F19 HydrophobicContact CB-CE2 3.77Å; A5-F19 HydrophobicContact CB-CG 4.42Å; Y7-F19 WeakPolarHBondContact O-CE2 3.47Å; F9-F19 HydrophobicContact CB-CD1 4.07Å; F9-F19 HydrophobicContact CB-CD2 4Å; F9-F19 HydrophobicContact CB-CE1 3.57Å; F9-F19 HydrophobicContact CB-CE2 3.53Å; F9-F19 HydrophobicContact CB-CG 4.27Å; F9-F19 HydrophobicContact CB-CZ 3.29Å; F9-F19 HydrophobicContact CD1-CD1 4.11Å; F9-F19 AromaticContact CD1-CE1 3.56Å; F9-F19 HydrophobicContact CD1-CE1 3.56Å; F9-F19 HydrophobicContact CD1-CZ 4.08Å; F9-F19 AromaticContact CG-CE1 3.87Å; F9-F19 HydrophobicContact CG-CE1 3.87Å; F9-F19 AromaticContact CG-CZ 3.9Å; F9-F19 HydrophobicContact CG-CZ 3.9Å; F9-F19 PolarHBondContact N-O 3.1Å; F9-F19 PolarHBondContact O-N 2.9Å; F9-F19 VanDerWaalsContact O-O 3.07Å; L17-F19 VanDerWaalsContact O-CD1 3.25Å; L17-F19 WeakPolarHBondContact O-CD1 3.34Å; F19-D23 HydrophobicContact CB-CB 4.41Å; F19-L25 HydrophobicContact CB-CD1 4.47Å; F19-L25 HydrophobicContact CB-CD2 3.95Å; F19-L25 HydrophobicContact CD1-CD1 4.02Å; F19-L25 HydrophobicContact CD1-CD2 4.27Å; F19-L25 HydrophobicContact CD2-CD1 4.18Å; F19-L25 HydrophobicContact CE1-CD1 4.29Å; F19-L25 HydrophobicContact CE2-CD1 4.4Å; F19-L25 HydrophobicContact CG-CD1 3.96Å; F19-L25 HydrophobicContact CG-CD2 4.22Å; F19-L25 HydrophobicContact CZ-CD1 4.45Å; F19-L41 HydrophobicContact CB-CD2 3.84Å; F19-I48 HydrophobicContact CD1-CB 4.46Å; F19-I48 HydrophobicContact CD1-CG2 3.77Å; F19-I48 HydrophobicContact CE1-CB 3.69Å; F19-I48 HydrophobicContact CE1-CG2 3.47Å; F19-I48 VanDerWaalsContact CE1-CG2 3.47Å; F19-I48 HydrophobicContact CZ-CB 4.44Å; F19-I53 HydrophobicContact CZ-CG2 4.29Å
20K96.2Very high90.9Very high142 Ų14269.5 Ų69.562%0.61737%0.365SS*.  trans-105.5154.8174.8-63.7-166.1177.5-160.50110.9A5 G22 D23A5-K20 WeakPolarHBondContact CB-O 3.44Å; K20-G22 PolarHBondContact O-N 3.36Å; K20-D23 PolarHBondContact N-OD2 3.25Å; K20-D23 VanDerWaalsContact O-CB 3.24Å; K20-D23 WeakPolarHBondContact O-CB 3.48Å; K20-D23 VanDerWaalsContact O-CG 3.32Å; K20-D23 PolarHBondContact O-N 3.29Å
21R95.5Very high89.3Confident190 Ų19068.1 Ų68.172%0.71736%0.361SS*.THydrogen-bonded Turntrans-51.7129.9169.6176.3176.1177.3-165.7-0.6109.6K6 D8K6-R21 WeakPolarHBondContact O-CD 3.42Å; K6-R21 WeakPolarHBondContact O-CG 3.17Å; D8-R21 VanDerWaalsContact OD1-CB 3.28Å; D8-R21 WeakPolarHBondContact OD1-CB 3.27Å; D8-R21 PolarHBondContact OD1-N 3Å
22G93.4Very high87.4Confident42 Ų4270 Ų7043%0.43337%0.373SS..THydrogen-bonded Turntrans90.5-10.6-177.800000114.6A5 K20A5-G22 PolarHBondContact O-N 2.79Å; K20-G22 PolarHBondContact O-N 3.36Å
23D94.9Very high86.2Confident51 Ų5168.7 Ų68.727%0.27336%0.36SS..  trans-62.9141.4173.7-73.2-15.6000110.7A5 F19 K20 L41A5-D23 HydrophobicContact CB-CB 4.39Å; A5-D23 PolarHBondContact N-O 2.69Å; F19-D23 HydrophobicContact CB-CB 4.41Å; K20-D23 PolarHBondContact N-OD2 3.25Å; K20-D23 VanDerWaalsContact O-CB 3.24Å; K20-D23 WeakPolarHBondContact O-CB 3.48Å; K20-D23 VanDerWaalsContact O-CG 3.32Å; K20-D23 PolarHBondContact O-N 3.29Å; D23-L41 HydrophobicContact CB-CD1 4.43Å; D23-L41 HydrophobicContact CB-CD2 4.28Å
24I93.1Very high85.3Confident81 Ų8174.8 Ų74.842%0.41538%0.383SS..EExtended strand (participates in β ladder)trans-95.8115.4173.2-62168.5000108.1E2 A3 L41 K56E2-I24 HydrophobicContact CB-CG2 4.06Å; E2-I24 HydrophobicContact CG-CG2 3.85Å; A3-I24 WeakPolarHBondContact O-CA 3.31Å; I24-L41 WeakPolarHBondContact O-CD1 3.08Å; I24-K56 VanDerWaalsContact CD1-NZ 3.35Å
25L93.3Very high84.9Confident0 Ų071.8 Ų71.80%037%0.366CS..EExtended strand (participates in β ladder)trans-102.4137.2-176.1-62.1162.4000109.5E2 A3 A5 L17 F19 L41 I48 I53E2-L25 CarbonylContact C-O 3.56Å; E2-L25 WeakPolarHBondContact CA-O 3.2Å; A3-L25 PolarHBondContact N-O 2.85Å; A3-L25 PolarHBondContact O-N 2.76Å; A5-L25 HydrophobicContact CB-CD1 4.24Å; L17-L25 HydrophobicContact CD2-CD2 4.24Å; F19-L25 HydrophobicContact CB-CD1 4.47Å; F19-L25 HydrophobicContact CB-CD2 3.95Å; F19-L25 HydrophobicContact CD1-CD1 4.02Å; F19-L25 HydrophobicContact CD1-CD2 4.27Å; F19-L25 HydrophobicContact CD2-CD1 4.18Å; F19-L25 HydrophobicContact CE1-CD1 4.29Å; F19-L25 HydrophobicContact CE2-CD1 4.4Å; F19-L25 HydrophobicContact CG-CD1 3.96Å; F19-L25 HydrophobicContact CG-CD2 4.22Å; F19-L25 HydrophobicContact CZ-CD1 4.45Å; L25-L41 HydrophobicContact CD2-CB 3.77Å; L25-L41 HydrophobicContact CD2-CD1 4.15Å; L25-L41 HydrophobicContact CD2-CD2 3.84Å; L25-L41 HydrophobicContact CD2-CG 4.12Å; L25-I48 HydrophobicContact CD1-CD1 3.89Å; L25-I53 HydrophobicContact CD1-CG2 3.57Å
26K91.2Very high84.8Confident12 Ų1271.5 Ų71.55%0.05236%0.359CS..EExtended strand (participates in β ladder)trans-92.1102.6172.8179.5-157.8-173.8-174.80109.1M1 L28 A39 E40 G116 N126M1-K26 CarbonylContact O-C 3.5Å; M1-K26 WeakPolarHBondContact O-CA 3.44Å; K26-L28 HydrophobicContact CD-CD2 3.94Å; K26-L28 HydrophobicContact CG-CD2 4.24Å; K26-L28 PolarHBondContact O-N 2.77Å; K26-A39 CarbonylContact O-C 3.55Å; K26-A39 WeakPolarHBondContact O-CA 3.36Å; K26-E40 HydrophobicContact CB-CB 4.31Å; K26-E40 HydrophobicContact CD-CB 4.15Å; K26-E40 WeakPolarHBondContact CD-OE2 3.42Å; K26-E40 PolarHBondContact N-O 2.81Å; K26-E40 IonicContact NZ-OE1 2.83Å; K26-E40 IonicContact NZ-OE2 2.72Å; K26-E40 PolarHBondContact NZ-OE2 2.93Å; K26-E40 PolarHBondContact O-N 2.79Å; K26-G116 PolarHBondContact NZ-O 2.8Å; K26-N126 VanDerWaalsContact CD-O 3.28Å; K26-N126 WeakPolarHBondContact CD-O 3.08Å; K26-N126 WeakPolarHBondContact CE-O 3.31Å
27V88.6Confident84.6Confident7 Ų770.7 Ų70.74%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-72.7124.3175.6-177.30000109.7M1 A3 E30 Y37 I53 M55M1-V27 PolarHBondContact N-O 3.26Å; M1-V27 PolarHBondContact O-N 3.37Å; A3-V27 HydrophobicContact CB-CG2 3.74Å; V27-E30 HydrophobicContact CG1-CG 4.12Å; V27-Y37 HydrophobicContact CG1-CD2 4.27Å; V27-Y37 HydrophobicContact CG1-CG 4.46Å; V27-I53 HydrophobicContact CG2-CD1 4.38Å; V27-M55 HydrophobicContact CB-CE 4.25Å; V27-M55 HydrophobicContact CB-SD 4.34Å; V27-M55 HydrophobicContact CG1-CE 4.44Å; V27-M55 HydrophobicContact CG2-CE 4.27Å; V27-M55 HydrophobicContact CG2-SD 3.75Å
28L84.6Confident84.5Confident65 Ų6573.4 Ų73.434%0.3437%0.366SS..EExtended strand (participates in β ladder)trans-99.9-38.5-176.1-61.2179.2000112.5K26 K38 E40 D45K26-L28 HydrophobicContact CD-CD2 3.94Å; K26-L28 HydrophobicContact CG-CD2 4.24Å; K26-L28 PolarHBondContact O-N 2.77Å; L28-K38 HydrophobicContact CD1-CG 4.46Å; L28-K38 PolarHBondContact N-O 2.77Å; L28-E40 HydrophobicContact CD1-CB 4.16Å; L28-E40 HydrophobicContact CG-CB 4.36Å; L28-D45 HydrophobicContact CD1-CB 4.23Å
29N76.1Confident84.4Confident60 Ų6070.6 Ų70.632%0.32135%0.347SS..EExtended strand (participates in β ladder)trans-149.5138.2177.9-165.7-0.6000111.2E31 K38N29-E31 WeakPolarHBondContact OD1-CB 3.38Å; N29-E31 PolarHBondContact OD1-N 2.87Å; N29-K38 HydrophobicContact CB-CB 4.36Å; N29-K38 PolarHBondContact N-O 3.25Å; N29-K38 PolarHBondContact O-N 2.78Å; N29-K38 VanDerWaalsContact O-N 3.08Å
30E67.3Low84.2Confident81 Ų8171.9 Ų71.938%0.37935%0.353SS..SBendtrans-102.6-8.5176.4-61.5-174.5-144.800112.9V27 Y37V27-E30 HydrophobicContact CG1-CG 4.12Å; E30-Y37 HydrophobicContact CB-CD1 4.17Å; E30-Y37 HydrophobicContact CB-CE1 3.76Å; E30-Y37 HydrophobicContact CG-CD1 4.37Å; E30-Y37 HydrophobicContact CG-CE1 4.07Å; E30-Y37 HydrophobicContact CG-CE2 4.31Å; E30-Y37 PolarHBondContact OE2-OH 2.82Å
31E60.6Low84Confident146 Ų14666.3 Ų66.368%0.68233%0.329SS*.  trans-95.82.9-165.7-63-176.7169.100115.2N29 K64N29-E31 WeakPolarHBondContact OD1-CB 3.38Å; N29-E31 PolarHBondContact OD1-N 2.87Å; E31-K64 IonicContact OE1-NZ 3.72Å
32C54.3Low83.5Confident70 Ų7064.6 Ų64.647%0.47334%0.335SS..SBendtrans-83.4-30.8-172-68.90000114.7F47C32-F47 HydrophobicContact CB-CE1 4.07Å
33D65.6Low83.1Confident97 Ų9765.6 Ų65.652%0.51935%0.345SS..  trans-162.2158.5178.1-154.5-58.6000109.5N35 W36D33-N35 PolarHBondContact O-N 3.38Å; D33-W36 HydrophobicContact CB-CB 4.28Å
34Q72.6Confident82.9Confident167 Ų16770.5 Ų70.578%0.7836%0.364SS*.SBendtrans-64-26.6179.2-70.2-176.78.100112.6
35N84.8Confident82.8Confident103 Ų10370.9 Ų70.955%0.55137%0.367SS*.SBendtrans-111.8-12.1-171.5-68.2-18.6000114.9D33 K50D33-N35 PolarHBondContact O-N 3.38Å; N35-K50 VanDerWaalsContact O-CB 3.31Å; N35-K50 WeakPolarHBondContact O-CB 3.38Å; N35-K50 PolarHBondContact O-N 2.75Å
36W89.4Confident82.8Confident76 Ų7671 Ų7129%0.28837%0.368SS..EExtended strand (participates in β ladder)trans-127.7134.6-172.7-66.990.9000111.3F9 E16 D33 F47 I48 P49F9-W36 HydrophobicContact CE1-CZ3 4.33Å; F9-W36 HydrophobicContact CE2-CH2 4.4Å; F9-W36 AromaticContact CZ-CH2 3.82Å; F9-W36 HydrophobicContact CZ-CH2 3.82Å; F9-W36 AromaticContact CZ-CZ3 3.92Å; F9-W36 HydrophobicContact CZ-CZ3 3.92Å; E16-W36 HydrophobicContact CG-CH2 4.14Å; E16-W36 HydrophobicContact CG-CZ3 3.89Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.25Å; D33-W36 HydrophobicContact CB-CB 4.28Å; W36-F47 HydrophobicContact CB-CD1 4.44Å; W36-F47 HydrophobicContact CE3-CB 3.82Å; W36-F47 HydrophobicContact CZ3-CB 4.39Å; W36-I48 WeakPolarHBondContact CA-O 3.46Å; W36-P49 HydrophobicContact CE3-CB 4.33Å; W36-P49 HydrophobicContact CH2-CB 4.37Å; W36-P49 HydrophobicContact CH2-CG 4.47Å; W36-P49 HydrophobicContact CZ3-CB 4.2Å; W36-P49 HydrophobicContact CZ3-CG 4.22Å
37Y89.6Confident82.9Confident15 Ų1573 Ų736%0.05938%0.377CS..EExtended strand (participates in β ladder)trans-111.4149.1172.2-67.4-20.9000110.3V27 E30 F47 I48 K50 I53 M55V27-Y37 HydrophobicContact CG1-CD2 4.27Å; V27-Y37 HydrophobicContact CG1-CG 4.46Å; E30-Y37 HydrophobicContact CB-CD1 4.17Å; E30-Y37 HydrophobicContact CB-CE1 3.76Å; E30-Y37 HydrophobicContact CG-CD1 4.37Å; E30-Y37 HydrophobicContact CG-CE1 4.07Å; E30-Y37 HydrophobicContact CG-CE2 4.31Å; E30-Y37 PolarHBondContact OE2-OH 2.82Å; Y37-F47 CarbonylContact O-C 3.53Å; Y37-F47 WeakPolarHBondContact O-CA 3.2Å; Y37-I48 PolarHBondContact N-O 2.82Å; Y37-I48 WeakPolarHBondContact O-CG1 3.38Å; Y37-I48 PolarHBondContact O-N 3.06Å; Y37-K50 HydrophobicContact CD2-CB 4.43Å; Y37-K50 HydrophobicContact CD2-CG 4.34Å; Y37-K50 HydrophobicContact CE1-CD 3.88Å; Y37-K50 HydrophobicContact CE1-CG 4.37Å; Y37-K50 HydrophobicContact CE2-CB 4.32Å; Y37-K50 HydrophobicContact CE2-CD 4.01Å; Y37-K50 HydrophobicContact CE2-CG 3.76Å; Y37-K50 WeakPolarHBondContact OH-CE 3.44Å; Y37-K50 PolarHBondContact OH-NZ 3.46Å; Y37-I53 HydrophobicContact CD2-CD1 3.74Å; Y37-I53 HydrophobicContact CE2-CD1 4.22Å; Y37-M55 HydrophobicContact CE2-SD 4.41Å
38K91.5Very high83.2Confident68 Ų6872.7 Ų72.730%0.29638%0.375SS..EExtended strand (participates in β ladder)trans-87.5125169.2-171.5162-179.3163.10108.7L28 N29 D45 F47L28-K38 HydrophobicContact CD1-CG 4.46Å; L28-K38 PolarHBondContact N-O 2.77Å; N29-K38 HydrophobicContact CB-CB 4.36Å; N29-K38 PolarHBondContact N-O 3.25Å; N29-K38 PolarHBondContact O-N 2.78Å; N29-K38 VanDerWaalsContact O-N 3.08Å; K38-D45 WeakPolarHBondContact CE-OD2 3.44Å; K38-D45 IonicContact NZ-OD2 2.75Å; K38-D45 PolarHBondContact NZ-OD2 3.46Å; K38-F47 HydrophobicContact CB-CD1 4.32Å; K38-F47 HydrophobicContact CB-CE1 4.2Å
39A93.2Very high83.6Confident0 Ų070 Ų700%036%0.361CS..EExtended strand (participates in β ladder)trans-136.1167.3-179.200000112.1L17 K26 D45 G46 I48L17-A39 HydrophobicContact CD2-CB 4.37Å; K26-A39 CarbonylContact O-C 3.55Å; K26-A39 WeakPolarHBondContact O-CA 3.36Å; A39-D45 CarbonylContact O-C 3.53Å; A39-D45 WeakPolarHBondContact O-CA 3.25Å; A39-D45 WeakPolarHBondContact O-CB 3.34Å; A39-G46 PolarHBondContact N-O 3.09Å; A39-G46 PolarHBondContact O-N 2.84Å; A39-I48 HydrophobicContact CB-CD1 3.37Å; A39-I48 HydrophobicContact CB-CG1 3.73Å; A39-I48 HydrophobicContact CB-CG2 4.16Å
40E92.3Very high84.2Confident37 Ų3771.5 Ų71.517%0.17337%0.365CS..EExtended strand (participates in β ladder)trans-126.6135.3178.1-172-163.6131.500109.6K26 L28 K44 D45K26-E40 HydrophobicContact CB-CB 4.31Å; K26-E40 HydrophobicContact CD-CB 4.15Å; K26-E40 WeakPolarHBondContact CD-OE2 3.42Å; K26-E40 PolarHBondContact N-O 2.81Å; K26-E40 IonicContact NZ-OE1 2.83Å; K26-E40 IonicContact NZ-OE2 2.72Å; K26-E40 PolarHBondContact NZ-OE2 2.93Å; K26-E40 PolarHBondContact O-N 2.79Å; L28-E40 HydrophobicContact CD1-CB 4.16Å; L28-E40 HydrophobicContact CG-CB 4.36Å; E40-K44 CarbonylContact C-O 3.42Å; E40-K44 VanDerWaalsContact CA-O 3.26Å; E40-K44 WeakPolarHBondContact CA-O 3.25Å; E40-D45 HydrophobicContact CB-CB 4.43Å
41L91.8Very high85.4Confident24 Ų2472.7 Ų72.713%0.12637%0.374CS..EExtended strand (participates in β ladder)trans-138.6125.2173.1-176.261000109.1L17 F19 D23 I24 L25 G43 K44L17-L41 HydrophobicContact CD1-CB 4.3Å; L17-L41 HydrophobicContact CD2-CB 3.79Å; L17-L41 HydrophobicContact CG-CB 4.34Å; F19-L41 HydrophobicContact CB-CD2 3.84Å; D23-L41 HydrophobicContact CB-CD1 4.43Å; D23-L41 HydrophobicContact CB-CD2 4.28Å; I24-L41 WeakPolarHBondContact O-CD1 3.08Å; L25-L41 HydrophobicContact CD2-CB 3.77Å; L25-L41 HydrophobicContact CD2-CD1 4.15Å; L25-L41 HydrophobicContact CD2-CD2 3.84Å; L25-L41 HydrophobicContact CD2-CG 4.12Å; L41-G43 PolarHBondContact O-N 2.9Å; L41-K44 PolarHBondContact N-O 3.17Å; L41-K44 PolarHBondContact O-N 2.93Å
42N86.2Confident87Confident155 Ų15569.6 Ų69.683%0.82936%0.357SS*.THydrogen-bonded Turntrans51.938.6177.4-60.5-37.9000113.7K44N42-K44 VanDerWaalsContact C-N 3.28Å; N42-K44 PolarHBondContact O-N 3.27Å
43G84.4Confident88.7Confident63 Ų6366.6 Ų66.665%0.64934%0.336SS*.THydrogen-bonded Turntrans77.34.3179.400000115.4L41L41-G43 PolarHBondContact O-N 2.9Å
44K90.1Very high89.8Confident154 Ų15467.5 Ų67.567%0.6734%0.337SS*.EExtended strand (participates in β ladder)trans-103.4132.1168-68.3-172.5176.6-1740109.5L17 E40 L41 N42L17-K44 HydrophobicContact CD1-CB 3.94Å; E40-K44 CarbonylContact C-O 3.42Å; E40-K44 VanDerWaalsContact CA-O 3.26Å; E40-K44 WeakPolarHBondContact CA-O 3.25Å; L41-K44 PolarHBondContact N-O 3.17Å; L41-K44 PolarHBondContact O-N 2.93Å; N42-K44 VanDerWaalsContact C-N 3.28Å; N42-K44 PolarHBondContact O-N 3.27Å
45D92Very high90.3Very high89 Ų8961.7 Ų61.748%0.47631%0.31SS..EExtended strand (participates in β ladder)trans-103.8155.8169.970.1-76.7000112.3L28 K38 A39 E40L28-D45 HydrophobicContact CD1-CB 4.23Å; K38-D45 WeakPolarHBondContact CE-OD2 3.44Å; K38-D45 IonicContact NZ-OD2 2.75Å; K38-D45 PolarHBondContact NZ-OD2 3.46Å; A39-D45 CarbonylContact O-C 3.53Å; A39-D45 WeakPolarHBondContact O-CA 3.25Å; A39-D45 WeakPolarHBondContact O-CB 3.34Å; E40-D45 HydrophobicContact CB-CB 4.43Å
46G93.5Very high90.3Very high3 Ų359.6 Ų59.63%0.03130%0.296CS..EExtended strand (participates in β ladder)trans177.5176.6174.900000111.7D15 A39D15-G46 CarbonylContact O-C 3.38Å; D15-G46 WeakPolarHBondContact O-CA 3.22Å; A39-G46 PolarHBondContact N-O 3.09Å; A39-G46 PolarHBondContact O-N 2.84Å
47F93.3Very high89.7Confident54 Ų5461.3 Ų61.324%0.23732%0.317CS..EExtended strand (participates in β ladder)trans-78.5137.3176.8-66.8-74.9000111.1D15 E16 L17 C32 W36 Y37 K38D15-F47 HydrophobicContact CB-CD2 4.03Å; D15-F47 HydrophobicContact CB-CE2 4.32Å; D15-F47 WeakPolarHBondContact O-CD2 3.45Å; D15-F47 PolarHBondContact O-N 2.85Å; D15-F47 WeakPolarHBondContact OD2-CD2 3.29Å; E16-F47 WeakPolarHBondContact CA-O 3.4Å; L17-F47 PolarHBondContact N-O 2.95Å; C32-F47 HydrophobicContact CB-CE1 4.07Å; W36-F47 HydrophobicContact CB-CD1 4.44Å; W36-F47 HydrophobicContact CE3-CB 3.82Å; W36-F47 HydrophobicContact CZ3-CB 4.39Å; Y37-F47 CarbonylContact O-C 3.53Å; Y37-F47 WeakPolarHBondContact O-CA 3.2Å; K38-F47 HydrophobicContact CB-CD1 4.32Å; K38-F47 HydrophobicContact CB-CE1 4.2Å
48I93.8Very high89.4Confident0 Ų062.9 Ų62.90%033%0.325CS..EExtended strand (participates in β ladder)trans-126.5141.8177.159.8165.9000110L17 F19 L25 W36 Y37 A39 K50 I53L17-I48 HydrophobicContact CB-CG2 3.76Å; L17-I48 HydrophobicContact CD2-CG2 4.1Å; L17-I48 HydrophobicContact CG-CG2 4.31Å; F19-I48 HydrophobicContact CD1-CB 4.46Å; F19-I48 HydrophobicContact CD1-CG2 3.77Å; F19-I48 HydrophobicContact CE1-CB 3.69Å; F19-I48 HydrophobicContact CE1-CG2 3.47Å; F19-I48 VanDerWaalsContact CE1-CG2 3.47Å; F19-I48 HydrophobicContact CZ-CB 4.44Å; L25-I48 HydrophobicContact CD1-CD1 3.89Å; W36-I48 WeakPolarHBondContact CA-O 3.46Å; Y37-I48 PolarHBondContact N-O 2.82Å; Y37-I48 WeakPolarHBondContact O-CG1 3.38Å; Y37-I48 PolarHBondContact O-N 3.06Å; A39-I48 HydrophobicContact CB-CD1 3.37Å; A39-I48 HydrophobicContact CB-CG1 3.73Å; A39-I48 HydrophobicContact CB-CG2 4.16Å; I48-K50 PolarHBondContact O-N 2.94Å; I48-I53 HydrophobicContact CD1-CD1 4Å; I48-I53 HydrophobicContact CD1-CG2 3.95Å
49P92.5Very high89Confident8 Ų862.5 Ų62.55%0.05233%0.33CS..EExtended strand (participates in β ladder)trans-73.7125.417922.8-25.5000110.9F9 W36 N51 Y52F9-P49 HydrophobicContact CD1-CG 4.31Å; F9-P49 HydrophobicContact CD2-CG 3.67Å; F9-P49 HydrophobicContact CE1-CG 4.33Å; F9-P49 HydrophobicContact CE2-CG 3.7Å; F9-P49 HydrophobicContact CG-CG 4Å; F9-P49 HydrophobicContact CZ-CG 4.05Å; W36-P49 HydrophobicContact CE3-CB 4.33Å; W36-P49 HydrophobicContact CH2-CB 4.37Å; W36-P49 HydrophobicContact CH2-CG 4.47Å; W36-P49 HydrophobicContact CZ3-CB 4.2Å; W36-P49 HydrophobicContact CZ3-CG 4.22Å; P49-N51 VanDerWaalsContact C-N 3.26Å; P49-N51 PolarHBondContact O-N 2.84Å; P49-Y52 HydrophobicContact CB-CD2 3.91Å; P49-Y52 HydrophobicContact CB-CG 4.41Å; P49-Y52 HydrophobicContact CG-CD1 4.45Å; P49-Y52 HydrophobicContact CG-CD2 3.68Å; P49-Y52 HydrophobicContact CG-CE2 4.34Å; P49-Y52 HydrophobicContact CG-CG 3.77Å; P49-Y52 WeakPolarHBondContact O-CB 3.34Å; P49-Y52 PolarHBondContact O-N 2.85Å
50K89.5Confident88.8Confident92 Ų9262.8 Ų62.840%0.433%0.331SS..G310 helixtrans-56.6-37.2-176.8178177.2179.1164.30112.8N35 Y37 I48 Y52 I53N35-K50 VanDerWaalsContact O-CB 3.31Å; N35-K50 WeakPolarHBondContact O-CB 3.38Å; N35-K50 PolarHBondContact O-N 2.75Å; Y37-K50 HydrophobicContact CD2-CB 4.43Å; Y37-K50 HydrophobicContact CD2-CG 4.34Å; Y37-K50 HydrophobicContact CE1-CD 3.88Å; Y37-K50 HydrophobicContact CE1-CG 4.37Å; Y37-K50 HydrophobicContact CE2-CB 4.32Å; Y37-K50 HydrophobicContact CE2-CD 4.01Å; Y37-K50 HydrophobicContact CE2-CG 3.76Å; Y37-K50 WeakPolarHBondContact OH-CE 3.44Å; Y37-K50 PolarHBondContact OH-NZ 3.46Å; I48-K50 PolarHBondContact O-N 2.94Å; K50-Y52 PolarHBondContact O-N 3.04Å; K50-I53 VanDerWaalsContact O-CG1 3.26Å; K50-I53 WeakPolarHBondContact O-CG1 3.41Å; K50-I53 PolarHBondContact O-N 2.88Å
51N91.4Very high88.7Confident106 Ų10663.3 Ų63.357%0.56733%0.332SS*.G310 helixtrans-70.6-14.9179.861.9-37.5000113.7K6 P49K6-N51 WeakPolarHBondContact CE-O 3.41Å; K6-N51 PolarHBondContact NZ-O 2.95Å; P49-N51 VanDerWaalsContact C-N 3.26Å; P49-N51 PolarHBondContact O-N 2.84Å
52Y94.3Very high88.4Confident80 Ų8065.2 Ų65.231%0.31434%0.34SS..G310 helixtrans-88.5-8.3179-81.2-120.8000113.7K6 Y7 D8 F9 P49 K50K6-Y52 WeakPolarHBondContact CB-O 3.2Å; K6-Y52 PolarHBondContact N-O 3.06Å; Y7-Y52 HydrophobicContact CD2-CD1 4.17Å; Y7-Y52 HydrophobicContact CD2-CG 4.23Å; Y7-Y52 HydrophobicContact CG-CD1 4.43Å; D8-Y52 WeakPolarHBondContact O-CE1 3.09Å; F9-Y52 HydrophobicContact CB-CD1 3.97Å; F9-Y52 HydrophobicContact CB-CE1 4.4Å; F9-Y52 HydrophobicContact CD2-CD1 4.29Å; F9-Y52 HydrophobicContact CD2-CE1 4.23Å; P49-Y52 HydrophobicContact CB-CD2 3.91Å; P49-Y52 HydrophobicContact CB-CG 4.41Å; P49-Y52 HydrophobicContact CG-CD1 4.45Å; P49-Y52 HydrophobicContact CG-CD2 3.68Å; P49-Y52 HydrophobicContact CG-CE2 4.34Å; P49-Y52 HydrophobicContact CG-CG 3.77Å; P49-Y52 WeakPolarHBondContact O-CB 3.34Å; P49-Y52 PolarHBondContact O-N 2.85Å; K50-Y52 PolarHBondContact O-N 3.04Å
53I90.4Very high88.4Confident7 Ų758.4 Ų58.44%0.03631%0.306CS..EExtended strand (participates in β ladder)trans-119.8168.1-17861154.9000111.8A3 I4 K6 F19 L25 V27 Y37 I48 K50 M55A3-I53 HydrophobicContact CB-CB 4.13Å; A3-I53 HydrophobicContact CB-CD1 3.69Å; A3-I53 HydrophobicContact CB-CG1 4.48Å; I4-I53 CarbonylContact O-C 3.52Å; I4-I53 VanDerWaalsContact O-CA 3.28Å; I4-I53 WeakPolarHBondContact O-CA 3.02Å; K6-I53 VanDerWaalsContact CE-O 3.23Å; K6-I53 WeakPolarHBondContact CE-O 3.48Å; K6-I53 PolarHBondContact NZ-O 3.41Å; F19-I53 HydrophobicContact CZ-CG2 4.29Å; L25-I53 HydrophobicContact CD1-CG2 3.57Å; V27-I53 HydrophobicContact CG2-CD1 4.38Å; Y37-I53 HydrophobicContact CD2-CD1 3.74Å; Y37-I53 HydrophobicContact CE2-CD1 4.22Å; I48-I53 HydrophobicContact CD1-CD1 4Å; I48-I53 HydrophobicContact CD1-CG2 3.95Å; K50-I53 VanDerWaalsContact O-CG1 3.26Å; K50-I53 WeakPolarHBondContact O-CG1 3.41Å; K50-I53 PolarHBondContact O-N 2.88Å; I53-M55 HydrophobicContact CD1-SD 4.16Å
54E89.2Confident88.3Confident116 Ų11662 Ų6254%0.54230%0.304SS..EExtended strand (participates in β ladder)trans-131.2121.5167.4-178.7177.117100107.8A3 I4 K6 K56A3-E54 CarbonylContact C-O 3.55Å; A3-E54 VanDerWaalsContact CA-O 3.25Å; A3-E54 WeakPolarHBondContact CA-O 3.24Å; I4-E54 HydrophobicContact CG2-CB 3.84Å; I4-E54 PolarHBondContact N-O 2.95Å; I4-E54 PolarHBondContact O-N 3.5Å; K6-E54 HydrophobicContact CD-CB 4.09Å; K6-E54 HydrophobicContact CG-CB 4.11Å; E54-K56 PolarHBondContact O-N 3.28Å
55M83.2Confident88.1Confident46 Ų4656.1 Ų56.123%0.22728%0.279CS..EExtended strand (participates in β ladder)trans-64.9128.9176.8-66.9-64.1-71.900108.8M1 A3 V27 Y37 I53M1-M55 HydrophobicContact CB-CE 3.75Å; A3-M55 HydrophobicContact CB-SD 3.78Å; V27-M55 HydrophobicContact CB-CE 4.25Å; V27-M55 HydrophobicContact CB-SD 4.34Å; V27-M55 HydrophobicContact CG1-CE 4.44Å; V27-M55 HydrophobicContact CG2-CE 4.27Å; V27-M55 HydrophobicContact CG2-SD 3.75Å; Y37-M55 HydrophobicContact CE2-SD 4.41Å; I53-M55 HydrophobicContact CD1-SD 4.16Å
56K84.9Confident88.1Confident59 Ų5955.1 Ų55.126%0.25728%0.278SS..PPolyproline II helixtrans-65.5145.2172.9-74.8-166.8-176.8171.40109.2E2 I24 E54 H58E2-K56 HydrophobicContact CB-CB 4.28Å; E2-K56 HydrophobicContact CB-CD 3.91Å; E2-K56 HydrophobicContact CB-CG 4.24Å; E2-K56 PolarHBondContact O-N 2.69Å; E2-K56 WeakPolarHBondContact OE2-CD 3.27Å; E2-K56 WeakPolarHBondContact OE2-CE 3.4Å; E2-K56 IonicContact OE2-NZ 3.38Å; E2-K56 PolarHBondContact OE2-NZ 3.49Å; I24-K56 VanDerWaalsContact CD1-NZ 3.35Å; E54-K56 PolarHBondContact O-N 3.28Å; K56-H58 PolarHBondContact O-CD2 2.88Å; K56-H58 PolarHBondContact O-N 2.96Å
57P76.3Confident88Confident112 Ų11259.8 Ų59.873%0.72730%0.295SS*.PPolyproline II helixtrans-53.4133.7176.3-25.633.4000111.8
58H83.8Confident88Confident48 Ų4860.4 Ų60.422%0.22231%0.31CS..  trans-143.461.6177.449.967.2000111.3M1 K56 W60 F61M1-H58 HydrophobicContact CE-CB 3.01Å; M1-H58 WeakPolarHBondContact CE-CD2 2.97Å; K56-H58 PolarHBondContact O-CD2 2.88Å; K56-H58 PolarHBondContact O-N 2.96Å; H58-W60 HydrophobicContact CB-CH2 4.37Å; H58-W60 HydrophobicContact CB-CZ2 3.97Å; H58-W60 PolarHBondContact O-N 2.91Å; H58-F61 HydrophobicContact CB-CB 4.3Å; H58-F61 PolarHBondContact O-N 2.64Å
59P83Confident87.8Confident60 Ų6064.6 Ų64.639%0.3933%0.328SS..THydrogen-bonded Turntrans-62.1-19.1-176.327.9-36.4000113.1F62P59-F62 WeakPolarHBondContact O-CE2 3.42Å
60W89.4Confident87.7Confident5 Ų564.2 Ų64.22%0.01933%0.326CS..THydrogen-bonded Turntrans-81-11.617746.9-101.2000113.7M1 H58 F83 L84 I85 L128 N129 V132M1-W60 HydrophobicContact CE-CH2 3.47Å; M1-W60 VanDerWaalsContact CE-CH2 3.47Å; M1-W60 HydrophobicContact CE-CZ2 4.06Å; M1-W60 HydrophobicContact CE-CZ3 3.78Å; M1-W60 HydrophobicContact SD-CH2 3.89Å; M1-W60 HydrophobicContact SD-CZ3 4.14Å; H58-W60 HydrophobicContact CB-CH2 4.37Å; H58-W60 HydrophobicContact CB-CZ2 3.97Å; H58-W60 PolarHBondContact O-N 2.91Å; W60-F83 HydrophobicContact CB-CD2 4.17Å; W60-F83 HydrophobicContact CB-CE1 4.44Å; W60-F83 HydrophobicContact CB-CE2 3.36Å; W60-F83 HydrophobicContact CB-CZ 3.5Å; W60-F83 AromaticContact CD1-CZ 3.93Å; W60-F83 HydrophobicContact CD2-CE2 4.23Å; W60-F83 AromaticContact CG-CE2 3.7Å; W60-F83 HydrophobicContact CG-CE2 3.7Å; W60-F83 AromaticContact CG-CZ 3.72Å; W60-F83 HydrophobicContact CG-CZ 3.72Å; W60-L84 CarbonylContact O-C 3.55Å; W60-L84 WeakPolarHBondContact O-CA 3.39Å; W60-I85 HydrophobicContact CE3-CB 3.89Å; W60-I85 HydrophobicContact CE3-CD1 3.72Å; W60-I85 HydrophobicContact CE3-CG1 3.93Å; W60-I85 HydrophobicContact CH2-CD1 4.45Å; W60-I85 HydrophobicContact CZ3-CB 4.09Å; W60-I85 HydrophobicContact CZ3-CD1 3.57Å; W60-I85 HydrophobicContact CZ3-CG1 4.18Å; W60-I85 PolarHBondContact O-N 2.65Å; W60-L128 HydrophobicContact CH2-CB 3.6Å; W60-L128 HydrophobicContact CZ3-CB 4.02Å; W60-L128 HydrophobicContact CZ3-CD1 4.45Å; W60-N129 HydrophobicContact CZ2-CB 4.42Å; W60-V132 HydrophobicContact CD2-CG2 3.97Å; W60-V132 HydrophobicContact CE3-CG2 4.14Å; W60-V132 HydrophobicContact CH2-CG2 4.21Å; W60-V132 HydrophobicContact CZ2-CB 4.38Å; W60-V132 HydrophobicContact CZ2-CG2 4.04Å; W60-V132 HydrophobicContact CZ3-CG2 4.27Å
61F89.4Confident88Confident48 Ų4863 Ų6321%0.21132%0.322CS..EExtended strand (participates in β ladder)trans-92.2115.8179.6-175.5-108.9000111M1 H58 I85 F95M1-F61 HydrophobicContact CE-CB 3.54Å; M1-F61 HydrophobicContact CE-CD1 4.19Å; M1-F61 HydrophobicContact CE-CD2 4.44Å; M1-F61 HydrophobicContact CE-CG 3.81Å; M1-F61 HydrophobicContact SD-CB 4.34Å; M1-F61 HydrophobicContact SD-CD1 4.37Å; M1-F61 HydrophobicContact SD-CD2 4.18Å; M1-F61 HydrophobicContact SD-CG 4.04Å; H58-F61 HydrophobicContact CB-CB 4.3Å; H58-F61 PolarHBondContact O-N 2.64Å; F61-I85 HydrophobicContact CD2-CB 4.25Å; F61-I85 HydrophobicContact CD2-CG2 3.94Å; F61-I85 HydrophobicContact CE2-CG2 4.26Å; F61-F95 AromaticContact CE2-CD1 3.88Å; F61-F95 HydrophobicContact CE2-CD1 3.88Å; F61-F95 AromaticContact CE2-CE1 3.57Å; F61-F95 HydrophobicContact CE2-CE1 3.57Å; F61-F95 HydrophobicContact CE2-CZ 4.5Å; F61-F95 AromaticContact CZ-CE1 3.91Å; F61-F95 HydrophobicContact CZ-CE1 3.91Å
62F86Confident88Confident64 Ų6461.7 Ų61.728%0.28131%0.312SS..EExtended strand (participates in β ladder)trans-106.1-1.7-177-83.4-101.3000113.7P59 K64 I65 M73 L84 I85 I151P59-F62 WeakPolarHBondContact O-CE2 3.42Å; F62-K64 PolarHBondContact O-N 3.11Å; F62-I65 HydrophobicContact CB-CD1 3.58Å; F62-I65 HydrophobicContact CB-CG1 3.87Å; F62-I65 HydrophobicContact CB-CG2 4.21Å; F62-I65 HydrophobicContact CD1-CD1 4.2Å; F62-I65 HydrophobicContact CG-CD1 4.04Å; F62-M73 HydrophobicContact CD1-CE 3.95Å; F62-M73 HydrophobicContact CD1-SD 4.35Å; F62-M73 HydrophobicContact CE1-CE 3.21Å; F62-M73 HydrophobicContact CE1-SD 4.15Å; F62-M73 HydrophobicContact CZ-CE 3.58Å; F62-L84 HydrophobicContact CD2-CB 3.68Å; F62-L84 HydrophobicContact CD2-CD2 4.29Å; F62-L84 HydrophobicContact CD2-CG 4.48Å; F62-L84 HydrophobicContact CE2-CB 4.08Å; F62-L84 HydrophobicContact CG-CB 4.48Å; F62-L84 HydrophobicContact CG-CD2 4.49Å; F62-I85 PolarHBondContact N-O 2.86Å; F62-I151 HydrophobicContact CE2-CD1 3.59Å; F62-I151 HydrophobicContact CZ-CD1 3.44Å; F62-I151 VanDerWaalsContact CZ-CD1 3.44Å
63G85.4Confident87.7Confident12 Ų1260.1 Ų60.112%0.12431%0.308CS..EExtended strand (participates in β ladder)trans60.1-134.2-179.900000113I65 R86 E87G63-I65 VanDerWaalsContact C-N 3.35Å; G63-I65 PolarHBondContact O-N 3.17Å; G63-R86 CarbonylContact O-C 3.54Å; G63-R86 WeakPolarHBondContact O-CA 3.3Å; G63-E87 PolarHBondContact O-N 3.27Å
64K83.7Confident87.9Confident139 Ų13959.8 Ų59.860%0.60431%0.306SS*.SBendtrans-77.777.2-177.5-65.5175-175.8156.20111.5E31 F62 E87E31-K64 IonicContact OE1-NZ 3.72Å; F62-K64 PolarHBondContact O-N 3.11Å; K64-E87 VanDerWaalsContact CE-OE1 3.24Å; K64-E87 WeakPolarHBondContact CE-OE1 3.5Å; K64-E87 WeakPolarHBondContact CE-OE2 3.48Å; K64-E87 HydrophobicContact CG-CB 4.37Å; K64-E87 HydrophobicContact CG-CG 4.21Å; K64-E87 WeakPolarHBondContact CG-OE1 3.25Å; K64-E87 VanDerWaalsContact CG-OE2 3.31Å; K64-E87 WeakPolarHBondContact CG-OE2 3.32Å
65I85.5Confident88Confident30 Ų3057.4 Ų57.415%0.15430%0.302CS..  trans-114.8142.7167.362.8162.7000111.7F62 G63 A70 L84 R86F62-I65 HydrophobicContact CB-CD1 3.58Å; F62-I65 HydrophobicContact CB-CG1 3.87Å; F62-I65 HydrophobicContact CB-CG2 4.21Å; F62-I65 HydrophobicContact CD1-CD1 4.2Å; F62-I65 HydrophobicContact CG-CD1 4.04Å; G63-I65 VanDerWaalsContact C-N 3.35Å; G63-I65 PolarHBondContact O-N 3.17Å; I65-A70 HydrophobicContact CD1-CB 4.04Å; I65-L84 HydrophobicContact CD1-CD1 3.85Å; I65-L84 HydrophobicContact CD1-CD2 4.02Å; I65-R86 HydrophobicContact CD1-CB 4.34Å; I65-R86 HydrophobicContact CG1-CB 3.63Å
66P90.8Very high88.3Confident69 Ų6961.3 Ų61.345%0.44832%0.318SS..  trans-64.4151.9176.1-2232.8000112.7A68 K69 A70 E89P66-A68 VanDerWaalsContact C-N 3.27Å; P66-A68 PolarHBondContact O-N 2.83Å; P66-K69 HydrophobicContact CB-CB 4.48Å; P66-K69 PolarHBondContact O-N 3.47Å; P66-A70 PolarHBondContact O-N 3.15Å; P66-A70 VanDerWaalsContact O-N 3.08Å; P66-E89 WeakPolarHBondContact CA-OE1 3.46Å
67R92.9Very high88.6Confident100 Ų10059.3 Ų59.338%0.37731%0.31SS..Hα-helixtrans-51.9-47.5173.4174171.8176.6120.85.3112K69 A70 E71 E89 H107R67-K69 VanDerWaalsContact C-N 3.25Å; R67-K69 PolarHBondContact O-N 3.38Å; R67-A70 WeakPolarHBondContact O-CB 3.44Å; R67-A70 PolarHBondContact O-N 2.99Å; R67-A70 VanDerWaalsContact O-N 3.1Å; R67-E71 HydrophobicContact CG-CG 4.32Å; R67-E71 IonicContact CZ-OE1 3.87Å; R67-E71 VanDerWaalsContact CZ-OE1 3.3Å; R67-E71 IonicContact NE-OE1 2.82Å; R67-E71 PolarHBondContact NE-OE1 2.92Å; R67-E71 IonicContact NH2-OE1 3.66Å; R67-E71 PolarHBondContact NH2-OE1 2.72Å; R67-E71 WeakPolarHBondContact O-CG 3.23Å; R67-E71 PolarHBondContact O-N 3.42Å; R67-E89 WeakPolarHBondContact CA-OE2 3.28Å; R67-E89 WeakPolarHBondContact CB-OE2 3.43Å; R67-E89 VanDerWaalsContact N-CD 3.26Å; R67-E89 PolarHBondContact N-OE1 2.9Å; R67-E89 PolarHBondContact N-OE2 3.5Å; R67-H107 PolarHBondContact NH1-CD2 3.37Å; R67-H107 PolarHBondContact NH2-CD2 3.45Å; R67-H107 PolarHBondContact NH2-NE2 2.96Å; R67-H107 VanDerWaalsContact NH2-NE2 3.17Å
68A92.4Very high89.2Confident68 Ų6865 Ų6556%0.56232%0.317SS*.Hα-helixtrans-59.8-37.1-179.300000112P66 E71 E72P66-A68 VanDerWaalsContact C-N 3.27Å; P66-A68 PolarHBondContact O-N 2.83Å; A68-E71 PolarHBondContact O-N 3.2Å; A68-E72 WeakPolarHBondContact O-CB 3.11Å; A68-E72 PolarHBondContact O-N 2.74Å
69K89.5Confident89.5Confident88 Ų8864.4 Ų64.438%0.38331%0.314SS..Hα-helixtrans-68.8-39.7176.6-172.559.1177.9-178.90111.5P66 R67 E71 E72 M73P66-K69 HydrophobicContact CB-CB 4.48Å; P66-K69 PolarHBondContact O-N 3.47Å; R67-K69 VanDerWaalsContact C-N 3.25Å; R67-K69 PolarHBondContact O-N 3.38Å; K69-E71 VanDerWaalsContact C-N 3.34Å; K69-E72 VanDerWaalsContact CD-OE2 3.23Å; K69-E72 WeakPolarHBondContact CD-OE2 3.3Å; K69-E72 IonicContact NZ-OE1 3.82Å; K69-E72 PolarHBondContact NZ-OE1 2.98Å; K69-E72 IonicContact NZ-OE2 3.17Å; K69-E72 PolarHBondContact NZ-OE2 2.76Å; K69-E72 PolarHBondContact O-N 3.02Å; K69-M73 HydrophobicContact CG-SD 4.23Å; K69-M73 WeakPolarHBondContact O-CB 3.36Å; K69-M73 VanDerWaalsContact O-CG 3.25Å; K69-M73 WeakPolarHBondContact O-CG 3.04Å; K69-M73 PolarHBondContact O-N 2.79Å
70A91.2Very high90.1Very high0 Ų065 Ų650%031%0.314CS..Hα-helixtrans-61.3-43.1173.800000111.8I65 P66 R67 M73 L74 L84I65-A70 HydrophobicContact CD1-CB 4.04Å; P66-A70 PolarHBondContact O-N 3.15Å; P66-A70 VanDerWaalsContact O-N 3.08Å; R67-A70 WeakPolarHBondContact O-CB 3.44Å; R67-A70 PolarHBondContact O-N 2.99Å; R67-A70 VanDerWaalsContact O-N 3.1Å; A70-M73 PolarHBondContact O-N 3.49Å; A70-L74 VanDerWaalsContact O-CB 3.31Å; A70-L74 WeakPolarHBondContact O-CB 3.33Å; A70-L74 VanDerWaalsContact O-CG 3.28Å; A70-L74 WeakPolarHBondContact O-CG 3.39Å; A70-L74 PolarHBondContact O-N 2.88Å; A70-L84 HydrophobicContact CB-CD1 3.81Å; A70-L84 HydrophobicContact CB-CD2 4.08Å; A70-L84 HydrophobicContact CB-CG 4.37Å
71E95Very high90.4Very high67 Ų6764.8 Ų64.831%0.31331%0.313SS..Hα-helixtrans-61.8-43.9175.6-67.5173.6169.200111.5R67 A68 K69 M73 L74 S75 V105 H107R67-E71 HydrophobicContact CG-CG 4.32Å; R67-E71 IonicContact CZ-OE1 3.87Å; R67-E71 VanDerWaalsContact CZ-OE1 3.3Å; R67-E71 IonicContact NE-OE1 2.82Å; R67-E71 PolarHBondContact NE-OE1 2.92Å; R67-E71 IonicContact NH2-OE1 3.66Å; R67-E71 PolarHBondContact NH2-OE1 2.72Å; R67-E71 WeakPolarHBondContact O-CG 3.23Å; R67-E71 PolarHBondContact O-N 3.42Å; A68-E71 PolarHBondContact O-N 3.2Å; K69-E71 VanDerWaalsContact C-N 3.34Å; E71-M73 PolarHBondContact O-N 3.31Å; E71-L74 PolarHBondContact O-N 3.25Å; E71-S75 VanDerWaalsContact O-CB 3.25Å; E71-S75 WeakPolarHBondContact O-CB 3.49Å; E71-S75 PolarHBondContact O-N 3.32Å; E71-S75 PolarHBondContact O-OG 2.88Å; E71-V105 HydrophobicContact CG-CB 4.07Å; E71-V105 HydrophobicContact CG-CG1 4.27Å; E71-H107 IonicContact OE1-CE1 2.74Å; E71-H107 IonicContact OE1-NE2 2.77Å; E71-H107 PolarHBondContact OE1-NE2 3.38Å
72E91Very high90.7Very high77 Ų7762.5 Ų62.536%0.3630%0.303SS..Hα-helixtrans-61.1-43.1175.3-167.6-145.513800112.1A68 K69 S75 K76A68-E72 WeakPolarHBondContact O-CB 3.11Å; A68-E72 PolarHBondContact O-N 2.74Å; K69-E72 VanDerWaalsContact CD-OE2 3.23Å; K69-E72 WeakPolarHBondContact CD-OE2 3.3Å; K69-E72 IonicContact NZ-OE1 3.82Å; K69-E72 PolarHBondContact NZ-OE1 2.98Å; K69-E72 IonicContact NZ-OE2 3.17Å; K69-E72 PolarHBondContact NZ-OE2 2.76Å; K69-E72 PolarHBondContact O-N 3.02Å; E72-S75 PolarHBondContact O-OG 2.75Å; E72-K76 WeakPolarHBondContact O-CG 3.48Å; E72-K76 IonicContact OE1-NZ 3.88Å; E72-K76 PolarHBondContact OE1-NZ 2.77Å
73M89.7Confident91.2Very high48 Ų4859.5 Ų59.524%0.23629%0.29CS..Hα-helixtrans-69.6-43.3-179.7-71.6179.465.900112.3F62 K69 A70 E71F62-M73 HydrophobicContact CD1-CE 3.95Å; F62-M73 HydrophobicContact CD1-SD 4.35Å; F62-M73 HydrophobicContact CE1-CE 3.21Å; F62-M73 HydrophobicContact CE1-SD 4.15Å; F62-M73 HydrophobicContact CZ-CE 3.58Å; K69-M73 HydrophobicContact CG-SD 4.23Å; K69-M73 WeakPolarHBondContact O-CB 3.36Å; K69-M73 VanDerWaalsContact O-CG 3.25Å; K69-M73 WeakPolarHBondContact O-CG 3.04Å; K69-M73 PolarHBondContact O-N 2.79Å; A70-M73 PolarHBondContact O-N 3.49Å; E71-M73 PolarHBondContact O-N 3.31Å
74L93.7Very high91.7Very high0 Ų059 Ų590%028%0.284CS..Hα-helixtrans-74.9-33.2-178-70.7175.9000112A70 E71 K76 Q77 A82 L84 S98 K100 V105 I151A70-L74 VanDerWaalsContact O-CB 3.31Å; A70-L74 WeakPolarHBondContact O-CB 3.33Å; A70-L74 VanDerWaalsContact O-CG 3.28Å; A70-L74 WeakPolarHBondContact O-CG 3.39Å; A70-L74 PolarHBondContact O-N 2.88Å; E71-L74 PolarHBondContact O-N 3.25Å; L74-K76 PolarHBondContact O-N 2.86Å; L74-Q77 HydrophobicContact CD2-CG 4.48Å; L74-Q77 VanDerWaalsContact O-CB 3.28Å; L74-Q77 WeakPolarHBondContact O-CB 3.4Å; L74-Q77 PolarHBondContact O-N 3.41Å; L74-A82 HydrophobicContact CD2-CB 4.24Å; L74-A82 WeakPolarHBondContact CD2-O 3.28Å; L74-L84 HydrophobicContact CD1-CD2 4.4Å; L74-L84 HydrophobicContact CD1-CG 4.21Å; L74-L84 HydrophobicContact CD2-CD2 4.39Å; L74-L84 HydrophobicContact CG-CD2 4.14Å; L74-L84 HydrophobicContact CG-CG 4.42Å; L74-S98 WeakPolarHBondContact CD1-O 3.28Å; L74-K100 HydrophobicContact CB-CB 4.37Å; L74-K100 WeakPolarHBondContact O-CD 3.37Å; L74-V105 HydrophobicContact CB-CG1 4.47Å; L74-V105 HydrophobicContact CB-CG2 3.77Å; L74-V105 HydrophobicContact CD1-CG1 3.61Å; L74-V105 HydrophobicContact CD1-CG2 4.42Å; L74-I151 HydrophobicContact CD2-CG2 3.78Å
75S91.8Very high92.2Very high65 Ų6552.3 Ų52.346%0.45526%0.256SS..Hα-helixtrans-60.7-28176.659.50000113.2E71 E72 Q77E71-S75 VanDerWaalsContact O-CB 3.25Å; E71-S75 WeakPolarHBondContact O-CB 3.49Å; E71-S75 PolarHBondContact O-N 3.32Å; E71-S75 PolarHBondContact O-OG 2.88Å; E72-S75 PolarHBondContact O-OG 2.75Å; S75-Q77 VanDerWaalsContact C-N 3.27Å; S75-Q77 PolarHBondContact O-N 3.06Å
76K89Confident92.5Very high129 Ų12951.2 Ų51.256%0.56125%0.25SC*.THydrogen-bonded Turntrans-72.9-14175.2-63.4173.9-167.71780114E72 L74E72-K76 WeakPolarHBondContact O-CG 3.48Å; E72-K76 IonicContact OE1-NZ 3.88Å; E72-K76 PolarHBondContact OE1-NZ 2.77Å; L74-K76 PolarHBondContact O-N 2.86Å
77Q91Very high92.4Very high17 Ų1750.7 Ų50.78%0.07924%0.241CC..  trans-76.9141.8-178.7-59.9-67.5-4700110.5L74 S75 A82 K100 I151 E152L74-Q77 HydrophobicContact CD2-CG 4.48Å; L74-Q77 VanDerWaalsContact O-CB 3.28Å; L74-Q77 WeakPolarHBondContact O-CB 3.4Å; L74-Q77 PolarHBondContact O-N 3.41Å; S75-Q77 VanDerWaalsContact C-N 3.27Å; S75-Q77 PolarHBondContact O-N 3.06Å; Q77-A82 HydrophobicContact CB-CB 3.53Å; Q77-A82 HydrophobicContact CG-CB 3.7Å; Q77-K100 HydrophobicContact CB-CD 4.02Å; Q77-K100 WeakPolarHBondContact O-CD 3.3Å; Q77-K100 WeakPolarHBondContact O-CE 3.32Å; Q77-I151 HydrophobicContact CG-CG2 4.18Å; Q77-E152 PolarHBondContact NE2-O 3.03Å; Q77-E152 VanDerWaalsContact NE2-O 3.15Å
78R88.3Confident92.3Very high231 Ų23146.2 Ų46.287%0.87223%0.225SC*.SBendtrans-87.3-14.1-174.1-65.6-179178.1-168.50.1114.1
79H91Very high92.1Very high36 Ų3648.2 Ų48.217%0.16722%0.223CC..SBendtrans-123.4145.7-17460.877.5000111.4D150 E152H79-D150 PolarHBondContact CE1-O 2.79Å; H79-E152 IonicContact CD2-OE1 3.37Å
80D94.7Very high91.9Very high72 Ų7249.4 Ų49.439%0.38524%0.242SC..THydrogen-bonded Turntrans-63.7155.5169.1-72.1-14.5000111A82 F101 G102D80-A82 PolarHBondContact O-N 2.98Å; D80-F101 HydrophobicContact CB-CD2 4.04Å; D80-F101 WeakPolarHBondContact OD1-CA 3.34Å; D80-G102 PolarHBondContact OD1-N 2.94Å
81G95.7Very high91.6Very high1 Ų150.1 Ų50.11%0.0125%0.248CC..THydrogen-bonded Turntrans81.3-6.3-178.900000114.4F83 K100 F147 R149G81-F83 PolarHBondContact O-N 2.88Å; G81-K100 PolarHBondContact N-O 2.8Å; G81-F147 WeakPolarHBondContact CA-O 3.37Å; G81-R149 PolarHBondContact O-N 2.92Å
82A95.8Very high91Very high0 Ų052.8 Ų52.80%027%0.271CS..EExtended strand (participates in β ladder)trans-55.3125.3169.800000109.1L74 Q77 D80 V99 K100 R149 I151L74-A82 HydrophobicContact CD2-CB 4.24Å; L74-A82 WeakPolarHBondContact CD2-O 3.28Å; Q77-A82 HydrophobicContact CB-CB 3.53Å; Q77-A82 HydrophobicContact CG-CB 3.7Å; D80-A82 PolarHBondContact O-N 2.98Å; A82-V99 CarbonylContact O-C 3.51Å; A82-V99 WeakPolarHBondContact O-CA 3.31Å; A82-K100 HydrophobicContact CB-CB 4.17Å; A82-K100 PolarHBondContact O-N 3.33Å; A82-R149 VanDerWaalsContact CA-O 3.3Å; A82-R149 WeakPolarHBondContact CA-O 3.45Å; A82-I151 HydrophobicContact CB-CG2 4.45Å
83F97Very high90.6Very high0 Ų052 Ų520%028%0.284CS..EExtended strand (participates in β ladder)trans-141.5162.5-171.480.8-79.3000113.9W60 G81 L97 S98 V99 V132 L148 R149 I151W60-F83 HydrophobicContact CB-CD2 4.17Å; W60-F83 HydrophobicContact CB-CE1 4.44Å; W60-F83 HydrophobicContact CB-CE2 3.36Å; W60-F83 HydrophobicContact CB-CZ 3.5Å; W60-F83 AromaticContact CD1-CZ 3.93Å; W60-F83 HydrophobicContact CD2-CE2 4.23Å; W60-F83 AromaticContact CG-CE2 3.7Å; W60-F83 HydrophobicContact CG-CE2 3.7Å; W60-F83 AromaticContact CG-CZ 3.72Å; W60-F83 HydrophobicContact CG-CZ 3.72Å; G81-F83 PolarHBondContact O-N 2.88Å; F83-L97 HydrophobicContact CB-CD1 4.12Å; F83-L97 HydrophobicContact CD2-CD1 3.4Å; F83-L97 VanDerWaalsContact CD2-CD1 3.4Å; F83-L97 HydrophobicContact CE2-CD1 4.22Å; F83-L97 HydrophobicContact CG-CD1 4.09Å; F83-S98 CarbonylContact C-O 3.56Å; F83-S98 WeakPolarHBondContact CA-O 3.23Å; F83-S98 WeakPolarHBondContact CB-O 3.15Å; F83-V99 HydrophobicContact CB-CB 4.07Å; F83-V99 HydrophobicContact CB-CG2 4.05Å; F83-V132 HydrophobicContact CE1-CG1 4.41Å; F83-V132 HydrophobicContact CE2-CG1 3.99Å; F83-V132 HydrophobicContact CE2-CG2 3.79Å; F83-V132 HydrophobicContact CZ-CB 4.47Å; F83-V132 HydrophobicContact CZ-CG1 3.47Å; F83-V132 VanDerWaalsContact CZ-CG1 3.47Å; F83-V132 HydrophobicContact CZ-CG2 4.16Å; F83-L148 HydrophobicContact CB-CD2 3.76Å; F83-L148 HydrophobicContact CD1-CB 3.65Å; F83-L148 HydrophobicContact CD1-CD1 4.39Å; F83-L148 HydrophobicContact CD1-CD2 3.84Å; F83-L148 HydrophobicContact CD1-CG 4.14Å; F83-L148 HydrophobicContact CD2-CD1 4.19Å; F83-L148 HydrophobicContact CD2-CD2 4.23Å; F83-L148 HydrophobicContact CE1-CB 3.67Å; F83-L148 HydrophobicContact CE1-CD1 4.39Å; F83-L148 HydrophobicContact CE1-CG 4.42Å; F83-L148 HydrophobicContact CE2-CD1 4.12Å; F83-L148 HydrophobicContact CG-CB 4.3Å; F83-L148 HydrophobicContact CG-CD1 4.32Å; F83-L148 HydrophobicContact CG-CD2 3.66Å; F83-L148 HydrophobicContact CG-CG 4.3Å; F83-L148 HydrophobicContact CZ-CB 4.29Å; F83-L148 HydrophobicContact CZ-CD1 4.26Å; F83-R149 WeakPolarHBondContact CD1-O 3.34Å; F83-R149 PolarHBondContact N-O 2.71Å; F83-I151 WeakPolarHBondContact O-CG2 3.01Å
84L95.1Very high90.7Very high1 Ų152.1 Ų52.11%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-145.7156.3165.661.681.2000110.4W60 F62 I65 A70 L74 R86 S98W60-L84 CarbonylContact O-C 3.55Å; W60-L84 WeakPolarHBondContact O-CA 3.39Å; F62-L84 HydrophobicContact CD2-CB 3.68Å; F62-L84 HydrophobicContact CD2-CD2 4.29Å; F62-L84 HydrophobicContact CD2-CG 4.48Å; F62-L84 HydrophobicContact CE2-CB 4.08Å; F62-L84 HydrophobicContact CG-CB 4.48Å; F62-L84 HydrophobicContact CG-CD2 4.49Å; I65-L84 HydrophobicContact CD1-CD1 3.85Å; I65-L84 HydrophobicContact CD1-CD2 4.02Å; A70-L84 HydrophobicContact CB-CD1 3.81Å; A70-L84 HydrophobicContact CB-CD2 4.08Å; A70-L84 HydrophobicContact CB-CG 4.37Å; L74-L84 HydrophobicContact CD1-CD2 4.4Å; L74-L84 HydrophobicContact CD1-CG 4.21Å; L74-L84 HydrophobicContact CD2-CD2 4.39Å; L74-L84 HydrophobicContact CG-CD2 4.14Å; L74-L84 HydrophobicContact CG-CG 4.42Å; L84-R86 HydrophobicContact CD1-CB 4.1Å; L84-R86 HydrophobicContact CD1-CG 4.23Å; L84-S98 PolarHBondContact N-O 2.93Å; L84-S98 PolarHBondContact O-N 3.49Å
85I94.8Very high90.7Very high0 Ų053.9 Ų53.90%029%0.293CS..EExtended strand (participates in β ladder)trans-107.8131.4169.4-65.4-178.2000108.3W60 F61 F62 F95 S96 L97 L128 V132W60-I85 HydrophobicContact CE3-CB 3.89Å; W60-I85 HydrophobicContact CE3-CD1 3.72Å; W60-I85 HydrophobicContact CE3-CG1 3.93Å; W60-I85 HydrophobicContact CH2-CD1 4.45Å; W60-I85 HydrophobicContact CZ3-CB 4.09Å; W60-I85 HydrophobicContact CZ3-CD1 3.57Å; W60-I85 HydrophobicContact CZ3-CG1 4.18Å; W60-I85 PolarHBondContact O-N 2.65Å; F61-I85 HydrophobicContact CD2-CB 4.25Å; F61-I85 HydrophobicContact CD2-CG2 3.94Å; F61-I85 HydrophobicContact CE2-CG2 4.26Å; F62-I85 PolarHBondContact N-O 2.86Å; I85-F95 HydrophobicContact CG2-CB 3.98Å; I85-F95 HydrophobicContact CG2-CD1 4.2Å; I85-F95 HydrophobicContact CG2-CG 4.31Å; I85-S96 WeakPolarHBondContact CA-O 3.49Å; I85-L97 HydrophobicContact CD1-CD1 4.24Å; I85-L97 HydrophobicContact CG1-CB 4.37Å; I85-L97 HydrophobicContact CG1-CD1 3.68Å; I85-L128 HydrophobicContact CD1-CD2 4.4Å; I85-L128 HydrophobicContact CG2-CD1 4.35Å; I85-V132 HydrophobicContact CD1-CG2 3.73Å
86R92.1Very high90.9Very high7 Ų751.2 Ų51.23%0.02628%0.275CS..EExtended strand (participates in β ladder)trans-130.3162.8177.561.5-179.4-179.792.7-2.5110.4G63 I65 L84 E89 F95 S96 S98 H107G63-R86 CarbonylContact O-C 3.54Å; G63-R86 WeakPolarHBondContact O-CA 3.3Å; I65-R86 HydrophobicContact CD1-CB 4.34Å; I65-R86 HydrophobicContact CG1-CB 3.63Å; L84-R86 HydrophobicContact CD1-CB 4.1Å; L84-R86 HydrophobicContact CD1-CG 4.23Å; R86-E89 IonicContact CZ-OE2 3.51Å; R86-E89 IonicContact NH1-OE2 2.79Å; R86-E89 PolarHBondContact NH1-OE2 2.94Å; R86-E89 IonicContact NH2-OE2 3.29Å; R86-F95 WeakPolarHBondContact O-CA 3.25Å; R86-S96 PolarHBondContact N-O 3.5Å; R86-S96 PolarHBondContact O-N 3Å; R86-S98 PolarHBondContact NE-OG 3.25Å; R86-H107 PolarHBondContact NH2-ND1 2.89Å
87E89.5Confident91.2Very high58 Ų5845.1 Ų45.127%0.27125%0.248SC..EExtended strand (participates in β ladder)trans-63.6144.3165.9-72.7-175.2-142.200110.9G63 K64 F95G63-E87 PolarHBondContact O-N 3.27Å; K64-E87 VanDerWaalsContact CE-OE1 3.24Å; K64-E87 WeakPolarHBondContact CE-OE1 3.5Å; K64-E87 WeakPolarHBondContact CE-OE2 3.48Å; K64-E87 HydrophobicContact CG-CB 4.37Å; K64-E87 HydrophobicContact CG-CG 4.21Å; K64-E87 WeakPolarHBondContact CG-OE1 3.25Å; K64-E87 VanDerWaalsContact CG-OE2 3.31Å; K64-E87 WeakPolarHBondContact CG-OE2 3.32Å; E87-F95 HydrophobicContact CG-CD1 4.47Å; E87-F95 HydrophobicContact CG-CE1 4.27Å
88S90Very high91.5Very high6 Ų644.3 Ų44.34%0.04224%0.244CC..  trans-80.9119.1-179-177.60000110.9S90 A91 D94S88-S90 VanDerWaalsContact C-N 3.33Å; S88-S90 PolarHBondContact O-N 3.49Å; S88-S90 PolarHBondContact OG-OG 3.47Å; S88-A91 WeakPolarHBondContact CB-O 3.15Å; S88-A91 CarbonylContact O-C 3.49Å; S88-A91 PolarHBondContact O-N 3.35Å; S88-A91 PolarHBondContact OG-N 3.02Å; S88-D94 VanDerWaalsContact CB-O 3.24Å; S88-D94 WeakPolarHBondContact CB-O 3.49Å; S88-D94 PolarHBondContact N-O 2.88Å
89E87.1Confident91.9Very high110 Ų11033.3 Ų33.351%0.51420%0.203SC..THydrogen-bonded Turntrans-67.6-33177.1-71.4156123.900112.8P66 R67 R86P66-E89 WeakPolarHBondContact CA-OE1 3.46Å; R67-E89 WeakPolarHBondContact CA-OE2 3.28Å; R67-E89 WeakPolarHBondContact CB-OE2 3.43Å; R67-E89 VanDerWaalsContact N-CD 3.26Å; R67-E89 PolarHBondContact N-OE1 2.9Å; R67-E89 PolarHBondContact N-OE2 3.5Å; R86-E89 IonicContact CZ-OE2 3.51Å; R86-E89 IonicContact NH1-OE2 2.79Å; R86-E89 PolarHBondContact NH1-OE2 2.94Å; R86-E89 IonicContact NH2-OE2 3.29Å
90S86.5Confident92.2Very high112 Ų11232.5 Ų32.578%0.78320%0.199SC*.THydrogen-bonded Turntrans-85.1-10.6-179.157.70000113.7S88S88-S90 VanDerWaalsContact C-N 3.33Å; S88-S90 PolarHBondContact O-N 3.49Å; S88-S90 PolarHBondContact OG-OG 3.47Å
91A85.8Confident92.2Very high16 Ų1631.4 Ų31.413%0.13219%0.191CC..SBendtrans-149.687.6-177.200000109.6S88 G93 D94S88-A91 WeakPolarHBondContact CB-O 3.15Å; S88-A91 CarbonylContact O-C 3.49Å; S88-A91 PolarHBondContact O-N 3.35Å; S88-A91 PolarHBondContact OG-N 3.02Å; A91-G93 PolarHBondContact O-N 2.94Å; A91-D94 HydrophobicContact CB-CB 4Å; A91-D94 WeakPolarHBondContact CB-OD2 3.45Å; A91-D94 WeakPolarHBondContact O-CB 3.27Å; A91-D94 PolarHBondContact O-N 3.34Å
92P82.2Confident92Very high122 Ų12232.8 Ų32.879%0.79221%0.205SC*.THydrogen-bonded Turntrans-53.5131.7179.9-26.734.9000111.9D94P92-D94 VanDerWaalsContact C-N 3.33Å
93G82.6Confident91.9Very high61 Ų6140.2 Ų40.263%0.62925%0.245SC*.THydrogen-bonded Turntrans89.3-15.2-176.400000115.1A91A91-G93 PolarHBondContact O-N 2.94Å
94D90Very high91.7Very high50 Ų5045.9 Ų45.927%0.26728%0.275SS..  trans-88162170.4-70.4-19.3000111S88 A91 P92 K109S88-D94 VanDerWaalsContact CB-O 3.24Å; S88-D94 WeakPolarHBondContact CB-O 3.49Å; S88-D94 PolarHBondContact N-O 2.88Å; A91-D94 HydrophobicContact CB-CB 4Å; A91-D94 WeakPolarHBondContact CB-OD2 3.45Å; A91-D94 WeakPolarHBondContact O-CB 3.27Å; A91-D94 PolarHBondContact O-N 3.34Å; P92-D94 VanDerWaalsContact C-N 3.33Å; D94-K109 WeakPolarHBondContact OD2-CE 3.37Å; D94-K109 IonicContact OD2-NZ 3.02Å; D94-K109 PolarHBondContact OD2-NZ 2.93Å
95F93.9Very high91.7Very high37 Ų3747 Ų4716%0.16228%0.281CS..EExtended strand (participates in β ladder)trans-107.8151.8175.5-60.1-71.9000111.7F61 I85 R86 E87 V110 Y118 L128F61-F95 AromaticContact CE2-CD1 3.88Å; F61-F95 HydrophobicContact CE2-CD1 3.88Å; F61-F95 AromaticContact CE2-CE1 3.57Å; F61-F95 HydrophobicContact CE2-CE1 3.57Å; F61-F95 HydrophobicContact CE2-CZ 4.5Å; F61-F95 AromaticContact CZ-CE1 3.91Å; F61-F95 HydrophobicContact CZ-CE1 3.91Å; I85-F95 HydrophobicContact CG2-CB 3.98Å; I85-F95 HydrophobicContact CG2-CD1 4.2Å; I85-F95 HydrophobicContact CG2-CG 4.31Å; R86-F95 WeakPolarHBondContact O-CA 3.25Å; E87-F95 HydrophobicContact CG-CD1 4.47Å; E87-F95 HydrophobicContact CG-CE1 4.27Å; F95-V110 HydrophobicContact CB-CB 3.98Å; F95-V110 HydrophobicContact CB-CG2 4.06Å; F95-V110 WeakPolarHBondContact O-CB 3.44Å; F95-V110 PolarHBondContact O-N 2.93Å; F95-Y118 HydrophobicContact CD2-CE1 4.07Å; F95-Y118 HydrophobicContact CE2-CE1 4.12Å; F95-L128 HydrophobicContact CD1-CD1 4.41Å; F95-L128 HydrophobicContact CD2-CD1 3.84Å; F95-L128 HydrophobicContact CD2-CD2 4.28Å; F95-L128 HydrophobicContact CE1-CD1 4.48Å; F95-L128 HydrophobicContact CE2-CD1 3.9Å; F95-L128 HydrophobicContact CG-CD1 4.1Å; F95-L128 HydrophobicContact CZ-CD1 4.23Å
96S96Very high91.8Very high10 Ų1049.3 Ų49.37%0.0729%0.293CS..EExtended strand (participates in β ladder)trans-122.1124.4170.9-73.30000109.8I85 R86 F108I85-S96 WeakPolarHBondContact CA-O 3.49Å; R86-S96 PolarHBondContact N-O 3.5Å; R86-S96 PolarHBondContact O-N 3Å; S96-F108 CarbonylContact C-O 3.57Å; S96-F108 WeakPolarHBondContact CA-O 3.43Å
97L96.7Very high92Very high0 Ų050.8 Ų50.80%030%0.3CS..EExtended strand (participates in β ladder)trans-86.8115.8169.6173.167.9000108.5F83 I85 H107 F108 V110 L120 V140 L148F83-L97 HydrophobicContact CB-CD1 4.12Å; F83-L97 HydrophobicContact CD2-CD1 3.4Å; F83-L97 VanDerWaalsContact CD2-CD1 3.4Å; F83-L97 HydrophobicContact CE2-CD1 4.22Å; F83-L97 HydrophobicContact CG-CD1 4.09Å; I85-L97 HydrophobicContact CD1-CD1 4.24Å; I85-L97 HydrophobicContact CG1-CB 4.37Å; I85-L97 HydrophobicContact CG1-CD1 3.68Å; L97-H107 CarbonylContact O-C 3.45Å; L97-H107 WeakPolarHBondContact O-CA 3.39Å; L97-F108 HydrophobicContact CB-CB 4.3Å; L97-F108 PolarHBondContact N-O 3.41Å; L97-F108 PolarHBondContact O-N 2.83Å; L97-V110 HydrophobicContact CB-CG2 4.1Å; L97-L120 HydrophobicContact CD2-CD1 3.58Å; L97-L120 HydrophobicContact CD2-CD2 4.31Å; L97-V140 HydrophobicContact CD2-CG1 4.06Å; L97-L148 HydrophobicContact CD1-CD1 4.33Å; L97-L148 HydrophobicContact CD1-CD2 4.32Å; L97-L148 HydrophobicContact CD2-CD1 4.29Å; L97-L148 HydrophobicContact CD2-CD2 4.29Å
98S97.1Very high92.2Very high0 Ų049.2 Ų49.20%029%0.292CS..EExtended strand (participates in β ladder)trans-106.4129.4177.8-50.50000108.5L74 F83 L84 R86 Q106 H107L74-S98 WeakPolarHBondContact CD1-O 3.28Å; F83-S98 CarbonylContact C-O 3.56Å; F83-S98 WeakPolarHBondContact CA-O 3.23Å; F83-S98 WeakPolarHBondContact CB-O 3.15Å; L84-S98 PolarHBondContact N-O 2.93Å; L84-S98 PolarHBondContact O-N 3.49Å; R86-S98 PolarHBondContact NE-OG 3.25Å; S98-Q106 CarbonylContact C-O 3.6Å; S98-Q106 WeakPolarHBondContact CA-O 3.35Å; S98-H107 WeakPolarHBondContact CB-ND1 3.36Å; S98-H107 PolarHBondContact OG-CE1 3.3Å; S98-H107 PolarHBondContact OG-ND1 3.44Å
99V97Very high92.4Very high0 Ų053.4 Ų53.40%031%0.309CS..EExtended strand (participates in β ladder)trans-138.4134.5-174.665.30000111.3A82 F83 V105 Q106 F108 V140 I146 L148A82-V99 CarbonylContact O-C 3.51Å; A82-V99 WeakPolarHBondContact O-CA 3.31Å; F83-V99 HydrophobicContact CB-CB 4.07Å; F83-V99 HydrophobicContact CB-CG2 4.05Å; V99-V105 CarbonylContact O-C 3.43Å; V99-V105 WeakPolarHBondContact O-CA 3.45Å; V99-Q106 HydrophobicContact CG1-CB 4.02Å; V99-Q106 PolarHBondContact N-O 3.1Å; V99-Q106 PolarHBondContact O-N 3.37Å; V99-F108 HydrophobicContact CG1-CD2 3.99Å; V99-F108 HydrophobicContact CG1-CE2 3.49Å; V99-F108 VanDerWaalsContact CG1-CE2 3.49Å; V99-V140 HydrophobicContact CG1-CG2 4.31Å; V99-I146 HydrophobicContact CG1-CG2 4.44Å; V99-I146 HydrophobicContact CG2-CG2 3.76Å; V99-L148 HydrophobicContact CG2-CD2 4.15Å
100K95.8Very high92.8Very high20 Ų2048.3 Ų48.39%0.08729%0.286CS..EExtended strand (participates in β ladder)trans-72.4134.1172.4-178.2-175.3169.871.10110.1L74 Q77 G81 A82 G102L74-K100 HydrophobicContact CB-CB 4.37Å; L74-K100 WeakPolarHBondContact O-CD 3.37Å; Q77-K100 HydrophobicContact CB-CD 4.02Å; Q77-K100 WeakPolarHBondContact O-CD 3.3Å; Q77-K100 WeakPolarHBondContact O-CE 3.32Å; G81-K100 PolarHBondContact N-O 2.8Å; A82-K100 HydrophobicContact CB-CB 4.17Å; A82-K100 PolarHBondContact O-N 3.33Å; K100-G102 WeakPolarHBondContact CE-O 3.33Å; K100-G102 PolarHBondContact NZ-O 3.43Å
101F95.4Very high93.2Very high49 Ų4946.1 Ų46.122%0.21527%0.265CS..EExtended strand (participates in β ladder)trans-148.5117.4166.5-171.8-100.2000110.5D80 N103 D104 Q144 I146D80-F101 HydrophobicContact CB-CD2 4.04Å; D80-F101 WeakPolarHBondContact OD1-CA 3.34Å; F101-N103 PolarHBondContact O-N 2.97Å; F101-D104 PolarHBondContact N-O 2.86Å; F101-D104 PolarHBondContact O-N 3.43Å; F101-Q144 HydrophobicContact CE1-CB 4.22Å; F101-Q144 HydrophobicContact CE1-CG 4Å; F101-Q144 HydrophobicContact CZ-CB 4.03Å; F101-Q144 HydrophobicContact CZ-CG 4.2Å; F101-I146 HydrophobicContact CB-CD1 3.88Å; F101-I146 HydrophobicContact CD1-CD1 4.27Å; F101-I146 HydrophobicContact CD2-CB 4.39Å; F101-I146 HydrophobicContact CD2-CD1 3.65Å; F101-I146 HydrophobicContact CD2-CG1 3.5Å; F101-I146 VanDerWaalsContact CD2-CG1 3.5Å; F101-I146 HydrophobicContact CD2-CG2 4.27Å; F101-I146 HydrophobicContact CE2-CD1 4.23Å; F101-I146 HydrophobicContact CE2-CG1 3.73Å; F101-I146 HydrophobicContact CG-CD1 3.65Å; F101-I146 HydrophobicContact CG-CG1 4.05Å; F101-I146 HydrophobicContact CZ-CG1 4.47Å
102G92.5Very high93.5Very high30 Ų3052.3 Ų52.331%0.30929%0.285SS..THydrogen-bonded Turntrans62.3-126.3-170.100000111.5D80 K100D80-G102 PolarHBondContact OD1-N 2.94Å; K100-G102 WeakPolarHBondContact CE-O 3.33Å; K100-G102 PolarHBondContact NZ-O 3.43Å
103N92Very high94Very high156 Ų15648 Ų4883%0.83426%0.255SS*.THydrogen-bonded Turntrans-92.9-3.5-180-70.2-17.6000113.6F101F101-N103 PolarHBondContact O-N 2.97Å
104D93.8Very high94.2Very high119 Ų11949.6 Ų49.664%0.63627%0.271SS*.EExtended strand (participates in β ladder)trans-115.8167.5-174.3-62.8-58000111.6F101F101-D104 PolarHBondContact N-O 2.86Å; F101-D104 PolarHBondContact O-N 3.43Å
105V95.8Very high94.1Very high23 Ų2350.4 Ų50.414%0.13929%0.285CS..EExtended strand (participates in β ladder)trans-116.4123.1171.5178.90000108.6E71 L74 V99 H107E71-V105 HydrophobicContact CG-CB 4.07Å; E71-V105 HydrophobicContact CG-CG1 4.27Å; L74-V105 HydrophobicContact CB-CG1 4.47Å; L74-V105 HydrophobicContact CB-CG2 3.77Å; L74-V105 HydrophobicContact CD1-CG1 3.61Å; L74-V105 HydrophobicContact CD1-CG2 4.42Å; V99-V105 CarbonylContact O-C 3.43Å; V99-V105 WeakPolarHBondContact O-CA 3.45Å; V105-H107 WeakPolarHBondContact CG1-NE2 3.18Å; V105-H107 PolarHBondContact O-CD2 2.73Å
106Q95.7Very high93.7Very high50 Ų5048.8 Ų48.823%0.23428%0.279CS..EExtended strand (participates in β ladder)trans-93.1143.4175.5-61.9-174.439.700109.7S98 V99 F108S98-Q106 CarbonylContact C-O 3.6Å; S98-Q106 WeakPolarHBondContact CA-O 3.35Å; V99-Q106 HydrophobicContact CG1-CB 4.02Å; V99-Q106 PolarHBondContact N-O 3.1Å; V99-Q106 PolarHBondContact O-N 3.37Å; Q106-F108 HydrophobicContact CB-CE2 3.79Å; Q106-F108 HydrophobicContact CB-CZ 4.12Å
107H95.8Very high93.5Very high38 Ų3851.9 Ų51.918%0.17629%0.291CS..EExtended strand (participates in β ladder)trans-125118.4-179.3-58-101.1000109.8R67 E71 R86 L97 S98 V105R67-H107 PolarHBondContact NH1-CD2 3.37Å; R67-H107 PolarHBondContact NH2-CD2 3.45Å; R67-H107 PolarHBondContact NH2-NE2 2.96Å; R67-H107 VanDerWaalsContact NH2-NE2 3.17Å; E71-H107 IonicContact OE1-CE1 2.74Å; E71-H107 IonicContact OE1-NE2 2.77Å; E71-H107 PolarHBondContact OE1-NE2 3.38Å; R86-H107 PolarHBondContact NH2-ND1 2.89Å; L97-H107 CarbonylContact O-C 3.45Å; L97-H107 WeakPolarHBondContact O-CA 3.39Å; S98-H107 WeakPolarHBondContact CB-ND1 3.36Å; S98-H107 PolarHBondContact OG-CE1 3.3Å; S98-H107 PolarHBondContact OG-ND1 3.44Å; V105-H107 WeakPolarHBondContact CG1-NE2 3.18Å; V105-H107 PolarHBondContact O-CD2 2.73Å
108F95Very high93.4Very high25 Ų2552.5 Ų52.511%0.1129%0.294CS..EExtended strand (participates in β ladder)trans-105.2125.4178.1-59.5-84.3000108.8S96 L97 V99 Q106 V110 L120 W121 V140S96-F108 CarbonylContact C-O 3.57Å; S96-F108 WeakPolarHBondContact CA-O 3.43Å; L97-F108 HydrophobicContact CB-CB 4.3Å; L97-F108 PolarHBondContact N-O 3.41Å; L97-F108 PolarHBondContact O-N 2.83Å; V99-F108 HydrophobicContact CG1-CD2 3.99Å; V99-F108 HydrophobicContact CG1-CE2 3.49Å; V99-F108 VanDerWaalsContact CG1-CE2 3.49Å; Q106-F108 HydrophobicContact CB-CE2 3.79Å; Q106-F108 HydrophobicContact CB-CZ 4.12Å; F108-V110 PolarHBondContact O-N 2.8Å; F108-L120 HydrophobicContact CB-CD2 4Å; F108-W121 AromaticContact CD1-CZ2 3.98Å; F108-W121 HydrophobicContact CD1-CZ2 3.98Å; F108-W121 AromaticContact CE1-CZ2 3.89Å; F108-W121 HydrophobicContact CE1-CZ2 3.89Å; F108-V140 HydrophobicContact CD2-CG2 4.49Å; F108-V140 HydrophobicContact CE2-CG2 3.95Å; F108-V140 HydrophobicContact CZ-CG2 4.33Å
109K94.6Very high93.4Very high94 Ų9454.1 Ų54.141%0.40930%0.301SS..EExtended strand (participates in β ladder)trans-69.9123.3170.8-173.3173.3-179175.50108.5D94 L111D94-K109 WeakPolarHBondContact OD2-CE 3.37Å; D94-K109 IonicContact OD2-NZ 3.02Å; D94-K109 PolarHBondContact OD2-NZ 2.93Å; K109-L111 HydrophobicContact CD-CD2 3.93Å; K109-L111 HydrophobicContact CG-CD2 4.01Å; K109-L111 PolarHBondContact O-N 3.3Å
110V95.5Very high93.3Very high2 Ų254.6 Ų54.61%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-81.2116.2170.8-1740000107.3F95 L97 F108 Y118 L120 L128 L131F95-V110 HydrophobicContact CB-CB 3.98Å; F95-V110 HydrophobicContact CB-CG2 4.06Å; F95-V110 WeakPolarHBondContact O-CB 3.44Å; F95-V110 PolarHBondContact O-N 2.93Å; L97-V110 HydrophobicContact CB-CG2 4.1Å; F108-V110 PolarHBondContact O-N 2.8Å; V110-Y118 HydrophobicContact CG1-CD1 3.95Å; V110-Y118 HydrophobicContact CG1-CG 4.43Å; V110-L120 HydrophobicContact CB-CD2 4.42Å; V110-L120 HydrophobicContact CG2-CD2 3.92Å; V110-L128 HydrophobicContact CG1-CD2 3.88Å; V110-L131 HydrophobicContact CG1-CD1 3.93Å
111L94.3Very high93.1Very high66 Ų6658.1 Ų58.135%0.34632%0.316SS..EExtended strand (participates in β ladder)trans-90.1155179.8-60175.6000110.2K109 Y118 F119K109-L111 HydrophobicContact CD-CD2 3.93Å; K109-L111 HydrophobicContact CG-CD2 4.01Å; K109-L111 PolarHBondContact O-N 3.3Å; L111-Y118 CarbonylContact O-C 3.55Å; L111-Y118 VanDerWaalsContact O-CA 3.29Å; L111-Y118 WeakPolarHBondContact O-CA 3.3Å; L111-F119 HydrophobicContact CB-CD1 4.25Å; L111-F119 HydrophobicContact CB-CD2 3.92Å; L111-F119 HydrophobicContact CB-CE1 3.87Å; L111-F119 HydrophobicContact CB-CE2 3.56Å; L111-F119 HydrophobicContact CB-CG 4.27Å; L111-F119 HydrophobicContact CB-CZ 3.52Å; L111-F119 HydrophobicContact CD1-CD2 4.15Å; L111-F119 HydrophobicContact CD1-CE2 3.53Å; L111-F119 HydrophobicContact CD1-CZ 4.11Å; L111-F119 HydrophobicContact CG-CE2 4.18Å; L111-F119 HydrophobicContact CG-CZ 4.48Å; L111-F119 PolarHBondContact N-O 2.88Å; L111-F119 PolarHBondContact O-N 2.9Å
112R92.1Very high93Very high146 Ų14661.6 Ų61.655%0.55134%0.341SS*.EExtended strand (participates in β ladder)trans-126.5134174-160.6176.6104.8177.59.7109.5K117 Y118R112-K117 VanDerWaalsContact CA-O 3.28Å; R112-K117 WeakPolarHBondContact CA-O 3.25Å; R112-Y118 HydrophobicContact CG-CD1 4.38Å; R112-Y118 HydrophobicContact CG-CE1 4.28Å
113D91.7Very high93.1Very high32 Ų3263.3 Ų63.317%0.17135%0.345CS..  trans-87.5176.5174.7745.4000111.9A115 G116 K117 F119 K124D113-A115 PolarHBondContact O-N 2.84Å; D113-A115 WeakPolarHBondContact OD1-CA 3.28Å; D113-A115 WeakPolarHBondContact OD1-CB 3.44Å; D113-A115 PolarHBondContact OD1-N 3.33Å; D113-G116 PolarHBondContact O-N 3.41Å; D113-G116 PolarHBondContact OD1-N 2.89Å; D113-G116 VanDerWaalsContact OD1-N 3.08Å; D113-K117 PolarHBondContact N-O 3.03Å; D113-K117 PolarHBondContact OD1-N 3.37Å; D113-F119 HydrophobicContact CB-CE1 3.91Å; D113-K124 WeakPolarHBondContact OD2-CD 3.41Å; D113-K124 WeakPolarHBondContact OD2-CE 3.46Å; D113-K124 IonicContact OD2-NZ 2.75Å; D113-K124 PolarHBondContact OD2-NZ 2.78Å
114G87.1Confident93.2Very high94 Ų9460.7 Ų60.797%0.96933%0.327SS*.THydrogen-bonded Turntrans-62.8-19.2178.200000114.2G116G114-G116 VanDerWaalsContact C-N 3.32Å
115A87.7Confident93.3Very high67 Ų6755.7 Ų55.755%0.55430%0.299SS*.THydrogen-bonded Turntrans-91.25.317400000112.5D113 K117D113-A115 PolarHBondContact O-N 2.84Å; D113-A115 WeakPolarHBondContact OD1-CA 3.28Å; D113-A115 WeakPolarHBondContact OD1-CB 3.44Å; D113-A115 PolarHBondContact OD1-N 3.33Å; A115-K117 VanDerWaalsContact C-N 3.34Å; A115-K117 PolarHBondContact O-N 2.8Å
116G87.2Confident93Very high4 Ų458.2 Ų58.24%0.04131%0.312CS..  trans81.76.2178.800000114.9K26 D113 G114K26-G116 PolarHBondContact NZ-O 2.8Å; D113-G116 PolarHBondContact O-N 3.41Å; D113-G116 PolarHBondContact OD1-N 2.89Å; D113-G116 VanDerWaalsContact OD1-N 3.08Å; G114-G116 VanDerWaalsContact C-N 3.32Å
117K91.7Very high92.9Very high75 Ų7555.9 Ų55.933%0.32630%0.301SS..  trans-79.7139.6-179-59.7-165177.2-134.30111.7R112 D113 A115 K124 F125 N126R112-K117 VanDerWaalsContact CA-O 3.28Å; R112-K117 WeakPolarHBondContact CA-O 3.25Å; D113-K117 PolarHBondContact N-O 3.03Å; D113-K117 PolarHBondContact OD1-N 3.37Å; A115-K117 VanDerWaalsContact C-N 3.34Å; A115-K117 PolarHBondContact O-N 2.8Å; K117-K124 HydrophobicContact CB-CB 4.05Å; K117-K124 HydrophobicContact CD-CB 4.2Å; K117-F125 CarbonylContact C-O 3.56Å; K117-F125 WeakPolarHBondContact CA-O 3.26Å; K117-F125 WeakPolarHBondContact CB-O 3.34Å; K117-N126 WeakPolarHBondContact CE-OD1 3.36Å; K117-N126 PolarHBondContact NZ-OD1 3.18Å
118Y94.3Very high92.7Very high13 Ų1354.1 Ų54.15%0.05129%0.293CS..EExtended strand (participates in β ladder)trans-90.2144.6179.7-60.8-75000112.2F95 V110 L111 R112 K124 F125 L128F95-Y118 HydrophobicContact CD2-CE1 4.07Å; F95-Y118 HydrophobicContact CE2-CE1 4.12Å; V110-Y118 HydrophobicContact CG1-CD1 3.95Å; V110-Y118 HydrophobicContact CG1-CG 4.43Å; L111-Y118 CarbonylContact O-C 3.55Å; L111-Y118 VanDerWaalsContact O-CA 3.29Å; L111-Y118 WeakPolarHBondContact O-CA 3.3Å; R112-Y118 HydrophobicContact CG-CD1 4.38Å; R112-Y118 HydrophobicContact CG-CE1 4.28Å; Y118-K124 CarbonylContact O-C 3.57Å; Y118-K124 WeakPolarHBondContact O-CA 3.5Å; Y118-F125 PolarHBondContact N-O 2.87Å; Y118-F125 WeakPolarHBondContact O-CD2 3.48Å; Y118-F125 PolarHBondContact O-N 3.46Å; Y118-L128 HydrophobicContact CD1-CD2 3.89Å; Y118-L128 HydrophobicContact CD2-CD2 4.28Å; Y118-L128 HydrophobicContact CD2-CG 4.34Å; Y118-L128 HydrophobicContact CE1-CD2 4.24Å; Y118-L128 HydrophobicContact CE1-CG 4.49Å; Y118-L128 HydrophobicContact CE2-CG 4.27Å; Y118-L128 HydrophobicContact CG-CD2 3.91Å; Y118-L128 HydrophobicContact CG-CG 4.45Å
119F95.9Very high92.6Very high33 Ų3353.3 Ų53.315%0.14529%0.29CS..EExtended strand (participates in β ladder)trans-159.7153.4174.756.9-79.6000112.1L111 D113 W121 V123 K124L111-F119 HydrophobicContact CB-CD1 4.25Å; L111-F119 HydrophobicContact CB-CD2 3.92Å; L111-F119 HydrophobicContact CB-CE1 3.87Å; L111-F119 HydrophobicContact CB-CE2 3.56Å; L111-F119 HydrophobicContact CB-CG 4.27Å; L111-F119 HydrophobicContact CB-CZ 3.52Å; L111-F119 HydrophobicContact CD1-CD2 4.15Å; L111-F119 HydrophobicContact CD1-CE2 3.53Å; L111-F119 HydrophobicContact CD1-CZ 4.11Å; L111-F119 HydrophobicContact CG-CE2 4.18Å; L111-F119 HydrophobicContact CG-CZ 4.48Å; L111-F119 PolarHBondContact N-O 2.88Å; L111-F119 PolarHBondContact O-N 2.9Å; D113-F119 HydrophobicContact CB-CE1 3.91Å; F119-W121 WeakPolarHBondContact CD2-O 3.45Å; F119-V123 WeakPolarHBondContact CB-O 3.37Å; F119-K124 HydrophobicContact CB-CG 4.07Å; F119-K124 HydrophobicContact CD1-CD 4.5Å; F119-K124 HydrophobicContact CD1-CG 3.98Å; F119-K124 HydrophobicContact CG-CG 4.14Å
120L94.5Very high92.6Very high10 Ų1052.2 Ų52.25%0.05229%0.286CS..SBendtrans-95.5-33.4165.2-58-179.1000111.4L97 F108 V110 L131 V140L97-L120 HydrophobicContact CD2-CD1 3.58Å; L97-L120 HydrophobicContact CD2-CD2 4.31Å; F108-L120 HydrophobicContact CB-CD2 4Å; V110-L120 HydrophobicContact CB-CD2 4.42Å; V110-L120 HydrophobicContact CG2-CD2 3.92Å; L120-L131 HydrophobicContact CD1-CD2 4.49Å; L120-L131 HydrophobicContact CG-CD1 4.32Å; L120-L131 HydrophobicContact CG-CD2 4.45Å; L120-V140 HydrophobicContact CD1-CB 4.11Å; L120-V140 HydrophobicContact CD1-CG1 3.98Å
121W93.3Very high92.6Very high95 Ų9552.1 Ų52.136%0.3629%0.286SS..SBendtrans-137-110.9-172.4-53.5115.8000112F108 F119 V140 R142F108-W121 AromaticContact CD1-CZ2 3.98Å; F108-W121 HydrophobicContact CD1-CZ2 3.98Å; F108-W121 AromaticContact CE1-CZ2 3.89Å; F108-W121 HydrophobicContact CE1-CZ2 3.89Å; F119-W121 WeakPolarHBondContact CD2-O 3.45Å; W121-V140 PolarHBondContact NE1-O 3.15Å; W121-R142 HydrophobicContact CD2-CG 4.27Å; W121-R142 HydrophobicContact CH2-CG 4.39Å; W121-R142 HydrophobicContact CZ2-CG 4.15Å
122V91.9Very high92.7Very high121 Ų12149 Ų4973%0.73327%0.269SS*.SBendtrans-98.3-35.9-175-172.80000111.4
123V94.5Very high92.8Very high66 Ų6646.3 Ų46.340%0.427%0.266SS..  trans-78.7132-178.9-170.20000109.7F119 F125F119-V123 WeakPolarHBondContact CB-O 3.37Å; V123-F125 HydrophobicContact CB-CE2 4.26Å; V123-F125 HydrophobicContact CB-CZ 3.92Å; V123-F125 HydrophobicContact CG1-CE1 3.76Å; V123-F125 HydrophobicContact CG1-CE2 4.13Å; V123-F125 HydrophobicContact CG1-CZ 3.45Å; V123-F125 VanDerWaalsContact CG1-CZ 3.45Å; V123-F125 WeakPolarHBondContact O-CE2 3.21Å
124K95.4Very high93Very high102 Ų10248.9 Ų48.944%0.44327%0.274SS..  trans-115.8141.7-175.5-62.1179.9173.7-173.40111.5D113 K117 Y118 F119D113-K124 WeakPolarHBondContact OD2-CD 3.41Å; D113-K124 WeakPolarHBondContact OD2-CE 3.46Å; D113-K124 IonicContact OD2-NZ 2.75Å; D113-K124 PolarHBondContact OD2-NZ 2.78Å; K117-K124 HydrophobicContact CB-CB 4.05Å; K117-K124 HydrophobicContact CD-CB 4.2Å; Y118-K124 CarbonylContact O-C 3.57Å; Y118-K124 WeakPolarHBondContact O-CA 3.5Å; F119-K124 HydrophobicContact CB-CG 4.07Å; F119-K124 HydrophobicContact CD1-CD 4.5Å; F119-K124 HydrophobicContact CD1-CG 3.98Å; F119-K124 HydrophobicContact CG-CG 4.14Å
125F94.6Very high93.5Very high14 Ų1444.8 Ų44.86%0.06123%0.229CC..BIsolated β-bridgetrans-126.8148.9-172.4-53.6-77000110.9K117 Y118 V123 S127 E130 L131 Y134K117-F125 CarbonylContact C-O 3.56Å; K117-F125 WeakPolarHBondContact CA-O 3.26Å; K117-F125 WeakPolarHBondContact CB-O 3.34Å; Y118-F125 PolarHBondContact N-O 2.87Å; Y118-F125 WeakPolarHBondContact O-CD2 3.48Å; Y118-F125 PolarHBondContact O-N 3.46Å; V123-F125 HydrophobicContact CB-CE2 4.26Å; V123-F125 HydrophobicContact CB-CZ 3.92Å; V123-F125 HydrophobicContact CG1-CE1 3.76Å; V123-F125 HydrophobicContact CG1-CE2 4.13Å; V123-F125 HydrophobicContact CG1-CZ 3.45Å; V123-F125 VanDerWaalsContact CG1-CZ 3.45Å; V123-F125 WeakPolarHBondContact O-CE2 3.21Å; F125-S127 VanDerWaalsContact C-N 3.3Å; F125-E130 HydrophobicContact CB-CB 3.92Å; F125-E130 HydrophobicContact CD1-CB 4.04Å; F125-E130 HydrophobicContact CG-CB 4.34Å; F125-L131 HydrophobicContact CB-CB 4.1Å; F125-L131 HydrophobicContact CD2-CB 3.54Å; F125-L131 HydrophobicContact CD2-CD1 3.97Å; F125-L131 HydrophobicContact CD2-CG 3.75Å; F125-L131 HydrophobicContact CE2-CB 4.16Å; F125-L131 HydrophobicContact CE2-CD1 4.45Å; F125-L131 HydrophobicContact CE2-CG 4.02Å; F125-L131 HydrophobicContact CG-CB 3.86Å; F125-Y134 VanDerWaalsContact CE1-CB 3.48Å; F125-Y134 HydrophobicContact CE1-CD1 4.06Å; F125-Y134 AromaticContact CE1-CD2 3.98Å; F125-Y134 HydrophobicContact CE1-CD2 3.98Å; F125-Y134 AromaticContact CE1-CG 3.57Å; F125-Y134 HydrophobicContact CE1-CG 3.57Å; F125-Y134 HydrophobicContact CE2-CD1 4.41Å; F125-Y134 AromaticContact CZ-CD1 3.43Å; F125-Y134 HydrophobicContact CZ-CD1 3.43Å; F125-Y134 VanDerWaalsContact CZ-CD1 3.43Å; F125-Y134 HydrophobicContact CZ-CD2 4.14Å; F125-Y134 HydrophobicContact CZ-CE1 4.06Å; F125-Y134 AromaticContact CZ-CG 3.46Å; F125-Y134 HydrophobicContact CZ-CG 3.46Å; F125-Y134 VanDerWaalsContact CZ-CG 3.46Å
126N90.8Very high93.9Very high75 Ų7545.4 Ų45.440%0.40122%0.217SC..SBendtrans-76.1-25179.2-53.9-55.5000111.6K26 K117 E130K26-N126 VanDerWaalsContact CD-O 3.28Å; K26-N126 WeakPolarHBondContact CD-O 3.08Å; K26-N126 WeakPolarHBondContact CE-O 3.31Å; K117-N126 WeakPolarHBondContact CE-OD1 3.36Å; K117-N126 PolarHBondContact NZ-OD1 3.18Å; N126-E130 PolarHBondContact N-OE2 3.29Å; N126-E130 PolarHBondContact ND2-OE1 3.37Å; N126-E130 VanDerWaalsContact ND2-OE1 3.17Å; N126-E130 PolarHBondContact ND2-OE2 3Å
127S92.1Very high94.3Very high2 Ų249.6 Ų49.61%0.01425%0.246CC..SBendtrans-139.2164.8-177.277.40000111.8E2 F125 N129 E130 L131E2-S127 VanDerWaalsContact CD-OG 3.28Å; E2-S127 VanDerWaalsContact CG-CB 3.5Å; E2-S127 WeakPolarHBondContact CG-OG 3.35Å; E2-S127 VanDerWaalsContact OE1-CB 3.28Å; E2-S127 WeakPolarHBondContact OE1-CB 3.23Å; E2-S127 PolarHBondContact OE1-OG 3.19Å; F125-S127 VanDerWaalsContact C-N 3.3Å; S127-N129 VanDerWaalsContact C-N 3.26Å; S127-N129 PolarHBondContact OG-N 3Å; S127-E130 PolarHBondContact OG-N 3.38Å; S127-L131 PolarHBondContact O-N 3.22Å
128L92.8Very high94.5Very high1 Ų148.2 Ų48.21%0.00524%0.244CC..Hα-helixtrans-67.5-29.3170-67.9177000111.8M1 W60 I85 F95 V110 Y118 L131 V132M1-L128 HydrophobicContact SD-CB 4.46Å; M1-L128 HydrophobicContact SD-CD1 3.97Å; W60-L128 HydrophobicContact CH2-CB 3.6Å; W60-L128 HydrophobicContact CZ3-CB 4.02Å; W60-L128 HydrophobicContact CZ3-CD1 4.45Å; I85-L128 HydrophobicContact CD1-CD2 4.4Å; I85-L128 HydrophobicContact CG2-CD1 4.35Å; F95-L128 HydrophobicContact CD1-CD1 4.41Å; F95-L128 HydrophobicContact CD2-CD1 3.84Å; F95-L128 HydrophobicContact CD2-CD2 4.28Å; F95-L128 HydrophobicContact CE1-CD1 4.48Å; F95-L128 HydrophobicContact CE2-CD1 3.9Å; F95-L128 HydrophobicContact CG-CD1 4.1Å; F95-L128 HydrophobicContact CZ-CD1 4.23Å; V110-L128 HydrophobicContact CG1-CD2 3.88Å; Y118-L128 HydrophobicContact CD1-CD2 3.89Å; Y118-L128 HydrophobicContact CD2-CD2 4.28Å; Y118-L128 HydrophobicContact CD2-CG 4.34Å; Y118-L128 HydrophobicContact CE1-CD2 4.24Å; Y118-L128 HydrophobicContact CE1-CG 4.49Å; Y118-L128 HydrophobicContact CE2-CG 4.27Å; Y118-L128 HydrophobicContact CG-CD2 3.91Å; Y118-L128 HydrophobicContact CG-CG 4.45Å; L128-L131 PolarHBondContact O-N 3.35Å; L128-V132 WeakPolarHBondContact O-CB 3.43Å; L128-V132 VanDerWaalsContact O-CG2 3.3Å; L128-V132 WeakPolarHBondContact O-CG2 3.15Å; L128-V132 PolarHBondContact O-N 2.99Å
129N92.6Very high94.5Very high8 Ų848.9 Ų48.94%0.04325%0.251CS..Hα-helixtrans-63.2-50.6176.6-67.875.1000110.8E2 W60 S127 L131 V132 D133E2-N129 HydrophobicContact CB-CB 4.37Å; E2-N129 HydrophobicContact CG-CB 3.9Å; E2-N129 PolarHBondContact N-OD1 2.93Å; W60-N129 HydrophobicContact CZ2-CB 4.42Å; S127-N129 VanDerWaalsContact C-N 3.26Å; S127-N129 PolarHBondContact OG-N 3Å; N129-L131 VanDerWaalsContact C-N 3.3Å; N129-L131 PolarHBondContact O-N 3.47Å; N129-V132 PolarHBondContact O-N 2.77Å; N129-D133 WeakPolarHBondContact O-CB 3.24Å; N129-D133 PolarHBondContact O-N 2.9Å
130E94.1Very high94.5Very high71 Ų7147.3 Ų47.333%0.33224%0.244SC..Hα-helixtrans-58-42.3175.3-76.4-179.7-176.500111.9F125 N126 S127 D133 Y134F125-E130 HydrophobicContact CB-CB 3.92Å; F125-E130 HydrophobicContact CD1-CB 4.04Å; F125-E130 HydrophobicContact CG-CB 4.34Å; N126-E130 PolarHBondContact N-OE2 3.29Å; N126-E130 PolarHBondContact ND2-OE1 3.37Å; N126-E130 VanDerWaalsContact ND2-OE1 3.17Å; N126-E130 PolarHBondContact ND2-OE2 3Å; S127-E130 PolarHBondContact OG-N 3.38Å; E130-D133 PolarHBondContact O-N 3.08Å; E130-Y134 WeakPolarHBondContact O-CB 3.46Å; E130-Y134 PolarHBondContact O-N 3.06Å
131L96.3Very high94.4Very high0 Ų047.7 Ų47.70%025%0.247CC..Hα-helixtrans-59.9-47.6176.9-178.4154.6000111.3V110 L120 F125 S127 L128 N129 H135V110-L131 HydrophobicContact CG1-CD1 3.93Å; L120-L131 HydrophobicContact CD1-CD2 4.49Å; L120-L131 HydrophobicContact CG-CD1 4.32Å; L120-L131 HydrophobicContact CG-CD2 4.45Å; F125-L131 HydrophobicContact CB-CB 4.1Å; F125-L131 HydrophobicContact CD2-CB 3.54Å; F125-L131 HydrophobicContact CD2-CD1 3.97Å; F125-L131 HydrophobicContact CD2-CG 3.75Å; F125-L131 HydrophobicContact CE2-CB 4.16Å; F125-L131 HydrophobicContact CE2-CD1 4.45Å; F125-L131 HydrophobicContact CE2-CG 4.02Å; F125-L131 HydrophobicContact CG-CB 3.86Å; S127-L131 PolarHBondContact O-N 3.22Å; L128-L131 PolarHBondContact O-N 3.35Å; N129-L131 VanDerWaalsContact C-N 3.3Å; N129-L131 PolarHBondContact O-N 3.47Å; L131-H135 PolarHBondContact O-CD2 3.41Å; L131-H135 PolarHBondContact O-N 3.3Å
132V95.9Very high94.3Very high0 Ų051.3 Ų51.30%026%0.261CS..Hα-helixtrans-62-50.6178.9163.80000110.3W60 F83 I85 L128 N129 Y134 H135 R136 L148W60-V132 HydrophobicContact CD2-CG2 3.97Å; W60-V132 HydrophobicContact CE3-CG2 4.14Å; W60-V132 HydrophobicContact CH2-CG2 4.21Å; W60-V132 HydrophobicContact CZ2-CB 4.38Å; W60-V132 HydrophobicContact CZ2-CG2 4.04Å; W60-V132 HydrophobicContact CZ3-CG2 4.27Å; F83-V132 HydrophobicContact CE1-CG1 4.41Å; F83-V132 HydrophobicContact CE2-CG1 3.99Å; F83-V132 HydrophobicContact CE2-CG2 3.79Å; F83-V132 HydrophobicContact CZ-CB 4.47Å; F83-V132 HydrophobicContact CZ-CG1 3.47Å; F83-V132 VanDerWaalsContact CZ-CG1 3.47Å; F83-V132 HydrophobicContact CZ-CG2 4.16Å; I85-V132 HydrophobicContact CD1-CG2 3.73Å; L128-V132 WeakPolarHBondContact O-CB 3.43Å; L128-V132 VanDerWaalsContact O-CG2 3.3Å; L128-V132 WeakPolarHBondContact O-CG2 3.15Å; L128-V132 PolarHBondContact O-N 2.99Å; N129-V132 PolarHBondContact O-N 2.77Å; V132-Y134 VanDerWaalsContact C-N 3.34Å; V132-Y134 PolarHBondContact O-N 3.06Å; V132-H135 CarbonylContact O-C 3.55Å; V132-H135 PolarHBondContact O-N 3.3Å; V132-R136 WeakPolarHBondContact O-CG 3.32Å; V132-R136 PolarHBondContact O-N 2.82Å; V132-R136 VanDerWaalsContact O-N 3.1Å; V132-L148 HydrophobicContact CG1-CD1 4.49Å; V132-L148 HydrophobicContact CG2-CD1 4.4Å
133D95Very high94.1Very high90 Ų9052.8 Ų52.848%0.48127%0.265SS..Hα-helixtrans-62.6-40.6-176-70.7-21.4000112N129 E130 H135 R136N129-D133 WeakPolarHBondContact O-CB 3.24Å; N129-D133 PolarHBondContact O-N 2.9Å; E130-D133 PolarHBondContact O-N 3.08Å; D133-H135 VanDerWaalsContact C-N 3.28Å; D133-H135 PolarHBondContact O-N 3.1Å; D133-R136 WeakPolarHBondContact O-CB 3.28Å; D133-R136 PolarHBondContact O-N 2.96Å; D133-R136 IonicContact OD1-NE 3Å; D133-R136 PolarHBondContact OD1-NE 2.93Å
134Y96.4Very high93.9Very high86 Ų8653.5 Ų53.534%0.33726%0.264SS..Hα-helixtrans-59-41.2173.4177.5-95000112.5F125 E130 V132 R136 S137 T138F125-Y134 VanDerWaalsContact CE1-CB 3.48Å; F125-Y134 HydrophobicContact CE1-CD1 4.06Å; F125-Y134 AromaticContact CE1-CD2 3.98Å; F125-Y134 HydrophobicContact CE1-CD2 3.98Å; F125-Y134 AromaticContact CE1-CG 3.57Å; F125-Y134 HydrophobicContact CE1-CG 3.57Å; F125-Y134 HydrophobicContact CE2-CD1 4.41Å; F125-Y134 AromaticContact CZ-CD1 3.43Å; F125-Y134 HydrophobicContact CZ-CD1 3.43Å; F125-Y134 VanDerWaalsContact CZ-CD1 3.43Å; F125-Y134 HydrophobicContact CZ-CD2 4.14Å; F125-Y134 HydrophobicContact CZ-CE1 4.06Å; F125-Y134 AromaticContact CZ-CG 3.46Å; F125-Y134 HydrophobicContact CZ-CG 3.46Å; F125-Y134 VanDerWaalsContact CZ-CG 3.46Å; E130-Y134 WeakPolarHBondContact O-CB 3.46Å; E130-Y134 PolarHBondContact O-N 3.06Å; V132-Y134 VanDerWaalsContact C-N 3.34Å; V132-Y134 PolarHBondContact O-N 3.06Å; Y134-R136 VanDerWaalsContact C-N 3.29Å; Y134-R136 PolarHBondContact O-N 3.24Å; Y134-S137 PolarHBondContact O-N 2.98Å; Y134-S137 PolarHBondContact O-OG 3.11Å; Y134-T138 HydrophobicContact CD1-CG2 4.44Å; Y134-T138 VanDerWaalsContact CE1-CB 3.48Å; Y134-T138 HydrophobicContact CE1-CG2 3.55Å; Y134-T138 WeakPolarHBondContact O-CB 3.41Å; Y134-T138 PolarHBondContact O-N 3.22Å; Y134-T138 VanDerWaalsContact O-N 3.11Å; Y134-T138 PolarHBondContact O-OG1 3.43Å
135H96.8Very high93.9Very high7 Ų756 Ų563%0.03228%0.276CS..Hα-helixtrans-82.6-3-176.8-77.7-61.7000114.3L131 V132 D133 S137 T138 S139 V140 L148L131-H135 PolarHBondContact O-CD2 3.41Å; L131-H135 PolarHBondContact O-N 3.3Å; V132-H135 CarbonylContact O-C 3.55Å; V132-H135 PolarHBondContact O-N 3.3Å; D133-H135 VanDerWaalsContact C-N 3.28Å; D133-H135 PolarHBondContact O-N 3.1Å; H135-S137 VanDerWaalsContact C-N 3.25Å; H135-S137 PolarHBondContact O-N 3.39Å; H135-T138 CarbonylContact C-O 3.41Å; H135-T138 VanDerWaalsContact CA-O 3.23Å; H135-T138 WeakPolarHBondContact CA-O 3.43Å; H135-T138 PolarHBondContact ND1-O 3.05Å; H135-T138 VanDerWaalsContact O-O 3.08Å; H135-S139 PolarHBondContact ND1-O 3.36Å; H135-V140 HydrophobicContact CB-CG1 3.62Å; H135-L148 HydrophobicContact CB-CD1 3.57Å; H135-L148 HydrophobicContact CB-CG 3.75Å; H135-L148 PolarHBondContact O-N 3.19Å
136R95.6Very high93.9Very high81 Ų8155.4 Ų55.431%0.30627%0.274SS..THydrogen-bonded Turntrans-67.6-26.6166.2-66.4180-177.4-80.1-2.4112.7V132 D133 Y134 L148 D150V132-R136 WeakPolarHBondContact O-CG 3.32Å; V132-R136 PolarHBondContact O-N 2.82Å; V132-R136 VanDerWaalsContact O-N 3.1Å; D133-R136 WeakPolarHBondContact O-CB 3.28Å; D133-R136 PolarHBondContact O-N 2.96Å; D133-R136 IonicContact OD1-NE 3Å; D133-R136 PolarHBondContact OD1-NE 2.93Å; Y134-R136 VanDerWaalsContact C-N 3.29Å; Y134-R136 PolarHBondContact O-N 3.24Å; R136-L148 HydrophobicContact CG-CB 4.39Å; R136-D150 IonicContact CZ-OD1 3.54Å; R136-D150 IonicContact CZ-OD2 3.94Å; R136-D150 VanDerWaalsContact CZ-OD2 3.29Å; R136-D150 IonicContact NH1-OD1 2.72Å; R136-D150 IonicContact NH1-OD2 3.3Å; R136-D150 PolarHBondContact NH1-OD2 2.54Å; R136-D150 VanDerWaalsContact NH2-CG 3.29Å; R136-D150 IonicContact NH2-OD1 3.82Å; R136-D150 PolarHBondContact NH2-OD1 3.14Å; R136-D150 IonicContact NH2-OD2 3.19Å; R136-D150 PolarHBondContact NH2-OD2 3.29Å
137S95.5Very high94.2Very high92 Ų9255.2 Ų55.264%0.64327%0.27SS*.THydrogen-bonded Turntrans-118.7-4.8177.362.30000113.9Y134 H135 F147Y134-S137 PolarHBondContact O-N 2.98Å; Y134-S137 PolarHBondContact O-OG 3.11Å; H135-S137 VanDerWaalsContact C-N 3.25Å; H135-S137 PolarHBondContact O-N 3.39Å; S137-F147 WeakPolarHBondContact O-CE1 3.38Å
138T95.6Very high94.4Very high46 Ų4655.3 Ų55.328%0.28227%0.27SS..SBendtrans-126.7133.6179.7-47.70000111.2Y134 H135 V140Y134-T138 HydrophobicContact CD1-CG2 4.44Å; Y134-T138 VanDerWaalsContact CE1-CB 3.48Å; Y134-T138 HydrophobicContact CE1-CG2 3.55Å; Y134-T138 WeakPolarHBondContact O-CB 3.41Å; Y134-T138 PolarHBondContact O-N 3.22Å; Y134-T138 VanDerWaalsContact O-N 3.11Å; Y134-T138 PolarHBondContact O-OG1 3.43Å; H135-T138 CarbonylContact C-O 3.41Å; H135-T138 VanDerWaalsContact CA-O 3.23Å; H135-T138 WeakPolarHBondContact CA-O 3.43Å; H135-T138 PolarHBondContact ND1-O 3.05Å; H135-T138 VanDerWaalsContact O-O 3.08Å; T138-V140 PolarHBondContact O-N 2.71Å
139S95.7Very high94.5Very high27 Ų2762 Ų6219%0.18930%0.296CS..  trans-57.6137.2-175.9-1700000113.2H135 S141 Q144 I146H135-S139 PolarHBondContact ND1-O 3.36Å; S139-S141 PolarHBondContact OG-N 3.01Å; S139-S141 VanDerWaalsContact OG-N 3.15Å; S139-S141 PolarHBondContact OG-O 3Å; S139-Q144 PolarHBondContact OG-O 3.36Å; S139-I146 CarbonylContact C-O 3.49Å; S139-I146 VanDerWaalsContact CA-O 3.27Å; S139-I146 WeakPolarHBondContact CA-O 3.25Å; S139-I146 PolarHBondContact OG-N 3.27Å
140V95.3Very high94.4Very high0 Ų064.7 Ų64.70%031%0.31CS..SBendtrans-79.8-17.4168.9-63.40000112.9L97 V99 F108 L120 W121 H135 T138 I146 L148L97-V140 HydrophobicContact CD2-CG1 4.06Å; V99-V140 HydrophobicContact CG1-CG2 4.31Å; F108-V140 HydrophobicContact CD2-CG2 4.49Å; F108-V140 HydrophobicContact CE2-CG2 3.95Å; F108-V140 HydrophobicContact CZ-CG2 4.33Å; L120-V140 HydrophobicContact CD1-CB 4.11Å; L120-V140 HydrophobicContact CD1-CG1 3.98Å; W121-V140 PolarHBondContact NE1-O 3.15Å; H135-V140 HydrophobicContact CB-CG1 3.62Å; T138-V140 PolarHBondContact O-N 2.71Å; V140-I146 HydrophobicContact CG2-CB 3.75Å; V140-I146 HydrophobicContact CG2-CG2 3.84Å; V140-I146 PolarHBondContact N-O 3.03Å; V140-L148 HydrophobicContact CG1-CD1 4.2Å; V140-L148 HydrophobicContact CG1-CD2 3.77Å; V140-L148 HydrophobicContact CG1-CG 3.81Å; V140-L148 HydrophobicContact CG2-CD2 4.49Å
141S92.8Very high94.2Very high18 Ų1862.4 Ų62.413%0.12630%0.299CS..  trans-107.1145.6179.6178.20000111.3S139 N143 Q144S139-S141 PolarHBondContact OG-N 3.01Å; S139-S141 VanDerWaalsContact OG-N 3.15Å; S139-S141 PolarHBondContact OG-O 3Å; S141-N143 PolarHBondContact OG-N 3.41Å; S141-Q144 WeakPolarHBondContact CB-O 3.36Å; S141-Q144 PolarHBondContact OG-N 3.36Å
142R89.8Confident93.5Very high170 Ų17067.9 Ų67.964%0.64233%0.325SS*.SBendtrans-78.9-23175.5-66.8-174.2-179.6-170.3-1.3113.3W121W121-R142 HydrophobicContact CD2-CG 4.27Å; W121-R142 HydrophobicContact CH2-CG 4.39Å; W121-R142 HydrophobicContact CZ2-CG 4.15Å
143N89.2Confident91.8Very high153 Ų15374.7 Ų74.782%0.81836%0.357SS*.SBendtrans-111.4-15-170.9-57.7-13.8000112.6S141S141-N143 PolarHBondContact OG-N 3.41Å
144Q90.6Very high89.6Confident81 Ų8174.9 Ų74.938%0.37936%0.361SS..SBendtrans-136.2150.3-176.1-67.7167.6-9.600108.9F101 S139 S141 I146F101-Q144 HydrophobicContact CE1-CB 4.22Å; F101-Q144 HydrophobicContact CE1-CG 4Å; F101-Q144 HydrophobicContact CZ-CB 4.03Å; F101-Q144 HydrophobicContact CZ-CG 4.2Å; S139-Q144 PolarHBondContact OG-O 3.36Å; S141-Q144 WeakPolarHBondContact CB-O 3.36Å; S141-Q144 PolarHBondContact OG-N 3.36Å; Q144-I146 HydrophobicContact CB-CD1 4.2Å; Q144-I146 HydrophobicContact CB-CG1 4.01Å; Q144-I146 PolarHBondContact O-N 3.4Å
145Q93.5Very high87Confident153 Ų15375.5 Ų75.572%0.71538%0.376SS*.  trans-85.5105.5171.6-85.1-174.5-27.100109.9
146I94.7Very high84.6Confident2 Ų284 Ų841%0.0142%0.416CS..  trans-129.2106.2179.8-46.3-177.6000108.3V99 F101 S139 V140 Q144V99-I146 HydrophobicContact CG1-CG2 4.44Å; V99-I146 HydrophobicContact CG2-CG2 3.76Å; F101-I146 HydrophobicContact CB-CD1 3.88Å; F101-I146 HydrophobicContact CD1-CD1 4.27Å; F101-I146 HydrophobicContact CD2-CB 4.39Å; F101-I146 HydrophobicContact CD2-CD1 3.65Å; F101-I146 HydrophobicContact CD2-CG1 3.5Å; F101-I146 VanDerWaalsContact CD2-CG1 3.5Å; F101-I146 HydrophobicContact CD2-CG2 4.27Å; F101-I146 HydrophobicContact CE2-CD1 4.23Å; F101-I146 HydrophobicContact CE2-CG1 3.73Å; F101-I146 HydrophobicContact CG-CD1 3.65Å; F101-I146 HydrophobicContact CG-CG1 4.05Å; F101-I146 HydrophobicContact CZ-CG1 4.47Å; S139-I146 CarbonylContact C-O 3.49Å; S139-I146 VanDerWaalsContact CA-O 3.27Å; S139-I146 WeakPolarHBondContact CA-O 3.25Å; S139-I146 PolarHBondContact OG-N 3.27Å; V140-I146 HydrophobicContact CG2-CB 3.75Å; V140-I146 HydrophobicContact CG2-CG2 3.84Å; V140-I146 PolarHBondContact N-O 3.03Å; Q144-I146 HydrophobicContact CB-CD1 4.2Å; Q144-I146 HydrophobicContact CB-CG1 4.01Å; Q144-I146 PolarHBondContact O-N 3.4Å
147F96.9Very high82.7Confident72 Ų7284.3 Ų84.332%0.31642%0.42SS..  trans-96.7138175.8-56.1-63.9000110G81 S137 R149G81-F147 WeakPolarHBondContact CA-O 3.37Å; S137-F147 WeakPolarHBondContact O-CE1 3.38Å; F147-R149 PolarHBondContact O-N 3.19Å
148L96.9Very high80.9Confident3 Ų381.3 Ų81.32%0.01640%0.398CS..  trans-68.6130.2179.1-66.1-171.7000111.2F83 L97 V99 V132 H135 R136 V140F83-L148 HydrophobicContact CB-CD2 3.76Å; F83-L148 HydrophobicContact CD1-CB 3.65Å; F83-L148 HydrophobicContact CD1-CD1 4.39Å; F83-L148 HydrophobicContact CD1-CD2 3.84Å; F83-L148 HydrophobicContact CD1-CG 4.14Å; F83-L148 HydrophobicContact CD2-CD1 4.19Å; F83-L148 HydrophobicContact CD2-CD2 4.23Å; F83-L148 HydrophobicContact CE1-CB 3.67Å; F83-L148 HydrophobicContact CE1-CD1 4.39Å; F83-L148 HydrophobicContact CE1-CG 4.42Å; F83-L148 HydrophobicContact CE2-CD1 4.12Å; F83-L148 HydrophobicContact CG-CB 4.3Å; F83-L148 HydrophobicContact CG-CD1 4.32Å; F83-L148 HydrophobicContact CG-CD2 3.66Å; F83-L148 HydrophobicContact CG-CG 4.3Å; F83-L148 HydrophobicContact CZ-CB 4.29Å; F83-L148 HydrophobicContact CZ-CD1 4.26Å; L97-L148 HydrophobicContact CD1-CD1 4.33Å; L97-L148 HydrophobicContact CD1-CD2 4.32Å; L97-L148 HydrophobicContact CD2-CD1 4.29Å; L97-L148 HydrophobicContact CD2-CD2 4.29Å; V99-L148 HydrophobicContact CG2-CD2 4.15Å; V132-L148 HydrophobicContact CG1-CD1 4.49Å; V132-L148 HydrophobicContact CG2-CD1 4.4Å; H135-L148 HydrophobicContact CB-CD1 3.57Å; H135-L148 HydrophobicContact CB-CG 3.75Å; H135-L148 PolarHBondContact O-N 3.19Å; R136-L148 HydrophobicContact CG-CB 4.39Å; V140-L148 HydrophobicContact CG1-CD1 4.2Å; V140-L148 HydrophobicContact CG1-CD2 3.77Å; V140-L148 HydrophobicContact CG1-CG 3.81Å; V140-L148 HydrophobicContact CG2-CD2 4.49Å
149R95.1Very high79.9Confident143 Ų14382.7 Ų82.754%0.5441%0.407SS..EExtended strand (participates in β ladder)trans-132.1133.7174.1-64.3-172.9178.3-165.21108.6G81 A82 F83 F147 I151G81-R149 PolarHBondContact O-N 2.92Å; A82-R149 VanDerWaalsContact CA-O 3.3Å; A82-R149 WeakPolarHBondContact CA-O 3.45Å; F83-R149 WeakPolarHBondContact CD1-O 3.34Å; F83-R149 PolarHBondContact N-O 2.71Å; F147-R149 PolarHBondContact O-N 3.19Å; R149-I151 PolarHBondContact O-N 2.99Å
150D91.4Very high79.5Confident63 Ų6385.6 Ų85.634%0.33741%0.414SS..EExtended strand (participates in β ladder)trans-57.7145.8178-60.8-58.7000109.7H79 R136 E152H79-D150 PolarHBondContact CE1-O 2.79Å; R136-D150 IonicContact CZ-OD1 3.54Å; R136-D150 IonicContact CZ-OD2 3.94Å; R136-D150 VanDerWaalsContact CZ-OD2 3.29Å; R136-D150 IonicContact NH1-OD1 2.72Å; R136-D150 IonicContact NH1-OD2 3.3Å; R136-D150 PolarHBondContact NH1-OD2 2.54Å; R136-D150 VanDerWaalsContact NH2-CG 3.29Å; R136-D150 IonicContact NH2-OD1 3.82Å; R136-D150 PolarHBondContact NH2-OD1 3.14Å; R136-D150 IonicContact NH2-OD2 3.19Å; R136-D150 PolarHBondContact NH2-OD2 3.29Å; D150-E152 PolarHBondContact O-N 2.8Å
151I89.1Confident79.4Confident23 Ų2385.6 Ų85.612%0.11841%0.414CS..  trans-57.1134.5169.653.5174000108.8F62 L74 Q77 A82 F83 R149 Q153F62-I151 HydrophobicContact CE2-CD1 3.59Å; F62-I151 HydrophobicContact CZ-CD1 3.44Å; F62-I151 VanDerWaalsContact CZ-CD1 3.44Å; L74-I151 HydrophobicContact CD2-CG2 3.78Å; Q77-I151 HydrophobicContact CG-CG2 4.18Å; A82-I151 HydrophobicContact CB-CG2 4.45Å; F83-I151 WeakPolarHBondContact O-CG2 3.01Å; R149-I151 PolarHBondContact O-N 2.99Å; I151-Q153 PolarHBondContact O-N 2.79Å
152E81.2Confident79.4Confident115 Ų11588 Ų8854%0.53742%0.424SS..  trans-64.8108.8162.1-72.7176.9-179.300105.3Q77 H79 D150 V154Q77-E152 PolarHBondContact NE2-O 3.03Å; Q77-E152 VanDerWaalsContact NE2-O 3.15Å; H79-E152 IonicContact CD2-OE1 3.37Å; D150-E152 PolarHBondContact O-N 2.8Å; E152-V154 PolarHBondContact O-N 2.82Å
153Q60Low79.7Confident143 Ų14380 Ų8067%0.66839%0.394SS*.  trans-62.194167.2-70-171.513.300105.6I151 P155I151-Q153 PolarHBondContact O-N 2.79Å; Q153-P155 VanDerWaalsContact O-CD 3.3Å; Q153-P155 WeakPolarHBondContact O-CD 3.41Å
154V49.3Very low80Confident94 Ų9476.1 Ų76.157%0.5737%0.373SS*.  trans-51.5116.2156.5-171.90000102.8E152 Q156E152-V154 PolarHBondContact O-N 2.82Å; V154-Q156 PolarHBondContact O-N 2.86Å
155P42.9Very low80.2Confident99 Ų9977.7 Ų77.764%0.64338%0.379SS*.  trans-46.7119.5-177.5-18.121.6000106Q153 Q157Q153-P155 VanDerWaalsContact O-CD 3.3Å; Q153-P155 WeakPolarHBondContact O-CD 3.41Å; P155-Q157 PolarHBondContact O-N 2.84Å
156Q46Very low80.3Confident187 Ų18774 Ų7487%0.87436%0.364SS*.  trans-58.1100.2173.3-78.7-170.817.700104.1V154V154-Q156 PolarHBondContact O-N 2.86Å
157Q55.6Low80.4Confident87 Ų8774.9 Ų74.941%0.40737%0.368SS..  trans-63144.6-174.7-72149.2-37.700106.5P155 T159 N188P155-Q157 PolarHBondContact O-N 2.84Å; Q157-T159 PolarHBondContact O-N 2.84Å; Q157-N188 WeakPolarHBondContact CB-ND2 3.12Å; Q157-N188 WeakPolarHBondContact CG-ND2 3.41Å; Q157-N188 PolarHBondContact NE2-ND2 2.89Å; Q157-N188 PolarHBondContact NE2-OD1 2.75Å; Q157-N188 PolarHBondContact OE1-ND2 2.92Å; Q157-N188 PolarHBondContact OE1-OD1 2.93Å
158P56.2Low80.3Confident28 Ų2876 Ų7618%0.18238%0.377CS..  trans-52.6116-173.120.8-34.2000109.9Y160 V161 V185 W194 P212P158-Y160 WeakPolarHBondContact CB-O 3.24Å; P158-Y160 PolarHBondContact O-N 3.38Å; P158-V161 HydrophobicContact CB-CG1 4.05Å; P158-V161 HydrophobicContact CG-CG1 3.82Å; P158-V185 WeakPolarHBondContact O-CB 3.16Å; P158-V185 VanDerWaalsContact O-CG2 3.29Å; P158-V185 WeakPolarHBondContact O-CG2 3.34Å; P158-W194 HydrophobicContact CG-CH2 4.38Å; P158-W194 HydrophobicContact CG-CZ3 4.25Å; P158-P212 HydrophobicContact CB-CB 3.84Å; P158-P212 HydrophobicContact CG-CB 3.83Å; P158-P212 HydrophobicContact CG-CG 4.07Å
159T74.8Confident80.1Confident75 Ų7579 Ų7946%0.4640%0.396SS..SBendtrans-62-27.8175.1-440000110.5Q157 H184 V185Q157-T159 PolarHBondContact O-N 2.84Å; T159-H184 WeakPolarHBondContact CG2-NE2 3.31Å; T159-H184 CarbonylContact O-C 3.44Å; T159-H184 WeakPolarHBondContact O-CA 3.09Å; T159-H184 PolarHBondContact O-CD2 3.01Å; T159-V185 PolarHBondContact O-N 2.83Å
160Y87.6Confident79.9Confident88 Ų8880.6 Ų80.635%0.34541%0.41SS..EExtended strand (participates in β ladder)trans-128.4138.1172.8-67.5-88.5000111.2P158 I183 H184 V213P158-Y160 WeakPolarHBondContact CB-O 3.24Å; P158-Y160 PolarHBondContact O-N 3.38Å; Y160-I183 WeakPolarHBondContact CA-O 3.44Å; Y160-H184 HydrophobicContact CD1-CB 4.08Å; Y160-H184 HydrophobicContact CE1-CB 3.66Å; Y160-H184 AromaticContact CE1-CD2 3.83Å; Y160-H184 AromaticContact CE2-CD2 3.97Å; Y160-H184 AromaticContact CZ-CD2 3.61Å; Y160-V213 PolarHBondContact O-N 3.08Å; Y160-V213 VanDerWaalsContact O-N 3.09Å
161V92.8Very high79.9Confident0 Ų084.5 Ų84.50%043%0.427CS..EExtended strand (participates in β ladder)trans-122.4153.6171.5-63.60000109.1P158 F182 I183 V185 W194 F205 V210 T211P158-V161 HydrophobicContact CB-CG1 4.05Å; P158-V161 HydrophobicContact CG-CG1 3.82Å; V161-F182 WeakPolarHBondContact O-CA 3.38Å; V161-I183 HydrophobicContact CG2-CB 3.79Å; V161-I183 HydrophobicContact CG2-CG2 4.43Å; V161-I183 PolarHBondContact N-O 3.17Å; V161-I183 PolarHBondContact O-N 3.47Å; V161-V185 HydrophobicContact CB-CG2 4.26Å; V161-V185 HydrophobicContact CG1-CG2 3.62Å; V161-V185 HydrophobicContact CG2-CG2 3.76Å; V161-W194 HydrophobicContact CG1-CZ3 4Å; V161-F205 HydrophobicContact CG2-CE2 4.16Å; V161-F205 HydrophobicContact CG2-CZ 4.1Å; V161-V210 HydrophobicContact CB-CB 3.81Å; V161-V210 HydrophobicContact CB-CG2 3.83Å; V161-V210 HydrophobicContact CG1-CG2 4.1Å; V161-V210 HydrophobicContact CG2-CB 3.71Å; V161-V210 HydrophobicContact CG2-CG1 3.88Å; V161-V210 HydrophobicContact CG2-CG2 3.76Å; V161-T211 CarbonylContact C-O 3.56Å; V161-T211 VanDerWaalsContact CA-O 3.22Å; V161-T211 WeakPolarHBondContact CA-O 3.47Å; V161-T211 WeakPolarHBondContact CB-O 3.38Å
162Q94.1Very high79.9Confident69 Ų6992 Ų9232%0.32247%0.466SS..EExtended strand (participates in β ladder)trans-106.9132.9174.7-172.8174.724.200109.4L164 G180 D181 F182 V210 T211 V213Q162-L164 PolarHBondContact O-N 2.89Å; Q162-G180 PolarHBondContact NE2-O 3.15Å; Q162-D181 CarbonylContact C-O 3.52Å; Q162-D181 WeakPolarHBondContact CA-O 3.3Å; Q162-F182 HydrophobicContact CB-CD1 4.4Å; Q162-F182 HydrophobicContact CB-CE1 4.28Å; Q162-F182 HydrophobicContact CG-CE1 4.39Å; Q162-V210 CarbonylContact O-C 3.52Å; Q162-V210 VanDerWaalsContact O-CA 3.25Å; Q162-V210 WeakPolarHBondContact O-CA 3.19Å; Q162-T211 HydrophobicContact CB-CG2 4.13Å; Q162-T211 PolarHBondContact N-O 2.75Å; Q162-T211 PolarHBondContact O-N 3.45Å; Q162-V213 HydrophobicContact CB-CG2 3.56Å
163A96Very high80.4Confident3 Ų389 Ų893%0.02547%0.466CS..EExtended strand (participates in β ladder)trans-65123.8175.600000111.2F177 R178 G180 D181A163-F177 HydrophobicContact CB-CD2 3.37Å; A163-F177 HydrophobicContact CB-CE2 3.66Å; A163-F177 HydrophobicContact CB-CG 4.4Å; A163-R178 VanDerWaalsContact CB-O 3.25Å; A163-R178 WeakPolarHBondContact CB-O 3.46Å; A163-G180 PolarHBondContact O-N 2.98Å; A163-D181 HydrophobicContact CB-CB 4.36Å; A163-D181 PolarHBondContact N-O 2.95Å
164L95.1Very high82.1Confident71 Ų7183.7 Ų83.737%0.37244%0.442SS..SBendtrans-83.2-27.3173.4-66.4174.8000111.8Q162 R179 Y209 T211Q162-L164 PolarHBondContact O-N 2.89Å; L164-R179 WeakPolarHBondContact O-CD 3.46Å; L164-R179 WeakPolarHBondContact O-CG 3.21Å; L164-Y209 WeakPolarHBondContact CB-O 3.39Å; L164-Y209 PolarHBondContact N-O 2.83Å; L164-T211 HydrophobicContact CD2-CG2 3.75Å; L164-T211 HydrophobicContact CG-CG2 4.23Å
165F94.7Very high84.3Confident114 Ų11479.2 Ų79.250%0.542%0.415SS..SBendtrans-138.4164.4-177.8-48.6-73000110.2F177 Y209F165-F177 WeakPolarHBondContact O-CE2 3.33Å; F165-Y209 HydrophobicContact CB-CD1 3.82Å; F165-Y209 HydrophobicContact CB-CE1 4.09Å; F165-Y209 HydrophobicContact CD2-CD1 4.26Å; F165-Y209 HydrophobicContact CD2-CG 4.3Å
166D96.4Very high86.8Confident76 Ų7675.4 Ų75.441%0.40639%0.394SS..  trans-71.6147166.9-70.418.3000109.5R178 R179 Y209D166-R178 WeakPolarHBondContact OD2-CD 3.38Å; D166-R178 IonicContact OD2-CZ 3.86Å; D166-R178 IonicContact OD2-NE 3.95Å; D166-R178 IonicContact OD2-NH1 2.95Å; D166-R178 PolarHBondContact OD2-NH1 3.36Å; D166-R179 VanDerWaalsContact OD1-CB 3.28Å; D166-R179 WeakPolarHBondContact OD1-CB 3.5Å; D166-R179 PolarHBondContact OD1-N 2.82Å; D166-Y209 WeakPolarHBondContact O-CE1 3.42Å
167F95.9Very high89.2Confident20 Ų2066.8 Ų66.89%0.08835%0.353CS..BIsolated β-bridgetrans-137.6112.6174.2-176.1-104.3000109.2E174 L175 G176 F177 W193 P206 Y209F167-E174 HydrophobicContact CE1-CB 4.21Å; F167-L175 VanDerWaalsContact CD1-O 3.24Å; F167-L175 WeakPolarHBondContact CD1-O 3.19Å; F167-G176 WeakPolarHBondContact O-CA 3.44Å; F167-F177 HydrophobicContact CB-CD1 4.07Å; F167-F177 HydrophobicContact CB-CD2 4.08Å; F167-F177 HydrophobicContact CB-CE1 3.5Å; F167-F177 HydrophobicContact CB-CE2 3.58Å; F167-F177 HydrophobicContact CB-CG 4.33Å; F167-F177 HydrophobicContact CB-CZ 3.26Å; F167-F177 HydrophobicContact CD1-CD1 4.32Å; F167-F177 AromaticContact CD1-CE1 3.68Å; F167-F177 HydrophobicContact CD1-CE1 3.68Å; F167-F177 HydrophobicContact CD1-CZ 4.18Å; F167-F177 AromaticContact CG-CE1 3.85Å; F167-F177 HydrophobicContact CG-CE1 3.85Å; F167-F177 AromaticContact CG-CZ 3.87Å; F167-F177 HydrophobicContact CG-CZ 3.87Å; F167-F177 PolarHBondContact N-O 2.9Å; F167-F177 PolarHBondContact O-N 2.88Å; F167-F177 VanDerWaalsContact O-N 3.1Å; F167-W193 HydrophobicContact CE2-CH2 4.49Å; F167-W193 AromaticContact CZ-CH2 3.91Å; F167-W193 HydrophobicContact CZ-CH2 3.91Å; F167-W193 HydrophobicContact CZ-CZ3 4.02Å; F167-P206 HydrophobicContact CD2-CG 3.85Å; F167-P206 HydrophobicContact CE2-CG 3.64Å; F167-P206 HydrophobicContact CZ-CG 4.16Å; F167-Y209 HydrophobicContact CB-CD1 4.06Å; F167-Y209 HydrophobicContact CB-CE1 4.41Å; F167-Y209 HydrophobicContact CD2-CD1 4.06Å; F167-Y209 AromaticContact CD2-CE1 3.94Å; F167-Y209 HydrophobicContact CD2-CE1 3.94Å; F167-Y209 HydrophobicContact CG-CD1 4.46Å
168D95.3Very high91.1Very high94 Ų9468.5 Ų68.550%0.50336%0.356SS..  trans-96.5120.3175.2-65.4-59.6000108.5Q170 R178D168-Q170 PolarHBondContact O-N 3.08Å; D168-R178 IonicContact OD1-CZ 3.42Å; D168-R178 IonicContact OD1-NH1 3.41Å; D168-R178 PolarHBondContact OD1-NH1 2.87Å; D168-R178 IonicContact OD1-NH2 2.78Å; D168-R178 PolarHBondContact OD1-NH2 3.45Å; D168-R178 IonicContact OD2-NH1 3.77Å
169P92.2Very high93Very high66 Ų6676 Ų7643%0.42938%0.381SS..  trans-56.3133.9179.5-29.138.4000112.9E174 G176P169-E174 WeakPolarHBondContact CA-OE2 3.34Å; P169-E174 HydrophobicContact CB-CB 3.92Å; P169-E174 HydrophobicContact CG-CB 4.48Å; P169-G176 VanDerWaalsContact CG-CA 3.44Å; P169-G176 VanDerWaalsContact CG-N 3.33Å
170Q91Very high93.9Very high178 Ų17873.8 Ų73.883%0.83237%0.373SS*.  trans-107-28.5173.7-60.7-175.514.700112.1D168 E174D168-Q170 PolarHBondContact O-N 3.08Å; Q170-E174 PolarHBondContact N-OE2 3.28Å
171E91.4Very high94.3Very high145 Ų14571 Ų7168%0.67836%0.364SS*.SBendtrans-118.7153.2-179.9-63.7-171-179.700112.8G173 E174E171-G173 PolarHBondContact O-N 3.17Å; E171-E174 HydrophobicContact CB-CG 4.2Å; E171-E174 PolarHBondContact N-OE2 2.8Å; E171-E174 WeakPolarHBondContact O-CB 3.28Å; E171-E174 PolarHBondContact O-N 2.79Å
172D89Confident94.3Very high179 Ų17976.1 Ų76.196%0.95739%0.386SS*.THydrogen-bonded Turntrans-64123.4173.6-79.4-31.6000110.4
173G91.4Very high94.3Very high52 Ų5272.8 Ų72.854%0.53637%0.371SS..THydrogen-bonded Turntrans102.8-1.9-178.400000114.4E171 G203 M204E171-G173 PolarHBondContact O-N 3.17Å; G173-G203 CarbonylContact O-C 3.57Å; G173-G203 WeakPolarHBondContact O-CA 3.41Å; G173-M204 PolarHBondContact O-N 3.49Å
174E95.9Very high94.1Very high32 Ų3275.9 Ų75.915%0.1538%0.384CS..BIsolated β-bridgetrans-80.2148170.8-69.3-177.5152.900112.4F167 P169 Q170 E171 W193 M204F167-E174 HydrophobicContact CE1-CB 4.21Å; P169-E174 WeakPolarHBondContact CA-OE2 3.34Å; P169-E174 HydrophobicContact CB-CB 3.92Å; P169-E174 HydrophobicContact CG-CB 4.48Å; Q170-E174 PolarHBondContact N-OE2 3.28Å; E171-E174 HydrophobicContact CB-CG 4.2Å; E171-E174 PolarHBondContact N-OE2 2.8Å; E171-E174 WeakPolarHBondContact O-CB 3.28Å; E171-E174 PolarHBondContact O-N 2.79Å; E174-W193 HydrophobicContact CG-CZ3 4.18Å; E174-W193 WeakPolarHBondContact OE1-CH2 3.43Å; E174-M204 CarbonylContact C-O 3.44Å; E174-M204 VanDerWaalsContact CA-O 3.27Å; E174-M204 WeakPolarHBondContact CA-O 3.21Å
175L95.4Very high93.9Very high1 Ų173.1 Ų73.11%0.00537%0.37CS..  trans-98114.2179.9179.467.6000110.2F167 F177 I183 C198 Q201 M204 F205F167-L175 VanDerWaalsContact CD1-O 3.24Å; F167-L175 WeakPolarHBondContact CD1-O 3.19Å; L175-F177 HydrophobicContact CG-CD1 4.48Å; L175-F177 VanDerWaalsContact O-CD1 3.23Å; L175-F177 WeakPolarHBondContact O-CD1 3.29Å; L175-F177 WeakPolarHBondContact O-CE1 3.46Å; L175-I183 HydrophobicContact CD2-CG2 3.75Å; L175-C198 HydrophobicContact CD1-CB 4.17Å; L175-C198 HydrophobicContact CD2-CB 3.95Å; L175-C198 HydrophobicContact CG-CB 4.31Å; L175-Q201 HydrophobicContact CD1-CB 3.89Å; L175-Q201 WeakPolarHBondContact CD1-O 3.49Å; L175-M204 PolarHBondContact N-O 3Å; L175-F205 HydrophobicContact CD2-CD1 4.05Å
176G95.3Very high93.4Very high19 Ų1973 Ų7320%0.19637%0.372CS..  trans-79.5139.5173.800000112.7F167 P169F167-G176 WeakPolarHBondContact O-CA 3.44Å; P169-G176 VanDerWaalsContact CG-CA 3.44Å; P169-G176 VanDerWaalsContact CG-N 3.33Å
177F96.5Very high92.8Very high6 Ų672.9 Ų72.93%0.02637%0.372CS..BIsolated β-bridgetrans-155164.1177.154.7-92.1000111.9A163 F165 F167 L175 D181 I183 F205 V210A163-F177 HydrophobicContact CB-CD2 3.37Å; A163-F177 HydrophobicContact CB-CE2 3.66Å; A163-F177 HydrophobicContact CB-CG 4.4Å; F165-F177 WeakPolarHBondContact O-CE2 3.33Å; F167-F177 HydrophobicContact CB-CD1 4.07Å; F167-F177 HydrophobicContact CB-CD2 4.08Å; F167-F177 HydrophobicContact CB-CE1 3.5Å; F167-F177 HydrophobicContact CB-CE2 3.58Å; F167-F177 HydrophobicContact CB-CG 4.33Å; F167-F177 HydrophobicContact CB-CZ 3.26Å; F167-F177 HydrophobicContact CD1-CD1 4.32Å; F167-F177 AromaticContact CD1-CE1 3.68Å; F167-F177 HydrophobicContact CD1-CE1 3.68Å; F167-F177 HydrophobicContact CD1-CZ 4.18Å; F167-F177 AromaticContact CG-CE1 3.85Å; F167-F177 HydrophobicContact CG-CE1 3.85Å; F167-F177 AromaticContact CG-CZ 3.87Å; F167-F177 HydrophobicContact CG-CZ 3.87Å; F167-F177 PolarHBondContact N-O 2.9Å; F167-F177 PolarHBondContact O-N 2.88Å; F167-F177 VanDerWaalsContact O-N 3.1Å; L175-F177 HydrophobicContact CG-CD1 4.48Å; L175-F177 VanDerWaalsContact O-CD1 3.23Å; L175-F177 WeakPolarHBondContact O-CD1 3.29Å; L175-F177 WeakPolarHBondContact O-CE1 3.46Å; F177-D181 HydrophobicContact CB-CB 4.27Å; F177-I183 HydrophobicContact CB-CD1 4.23Å; F177-I183 HydrophobicContact CD1-CD1 3.54Å; F177-I183 HydrophobicContact CD2-CD1 3.95Å; F177-I183 HydrophobicContact CE1-CD1 3.81Å; F177-I183 HydrophobicContact CE2-CD1 4.15Å; F177-I183 HydrophobicContact CG-CD1 3.62Å; F177-I183 HydrophobicContact CG-CG1 4.45Å; F177-I183 HydrophobicContact CZ-CD1 4.08Å; F177-F205 HydrophobicContact CD1-CB 4.43Å; F177-F205 HydrophobicContact CE1-CB 3.5Å; F177-F205 HydrophobicContact CE1-CD2 4.42Å; F177-F205 HydrophobicContact CE1-CG 4.13Å; F177-F205 HydrophobicContact CZ-CB 4.21Å; F177-V210 HydrophobicContact CZ-CG1 4.47Å
178R97.1Very high92.3Very high122 Ų12272.9 Ų72.946%0.4637%0.373SS..  trans-108.9153.6176.3-61.2-65.3172.1-163.1-16.5110.7A163 D166 D168 G180 D181A163-R178 VanDerWaalsContact CB-O 3.25Å; A163-R178 WeakPolarHBondContact CB-O 3.46Å; D166-R178 WeakPolarHBondContact OD2-CD 3.38Å; D166-R178 IonicContact OD2-CZ 3.86Å; D166-R178 IonicContact OD2-NE 3.95Å; D166-R178 IonicContact OD2-NH1 2.95Å; D166-R178 PolarHBondContact OD2-NH1 3.36Å; D168-R178 IonicContact OD1-CZ 3.42Å; D168-R178 IonicContact OD1-NH1 3.41Å; D168-R178 PolarHBondContact OD1-NH1 2.87Å; D168-R178 IonicContact OD1-NH2 2.78Å; D168-R178 PolarHBondContact OD1-NH2 3.45Å; D168-R178 IonicContact OD2-NH1 3.77Å; R178-G180 PolarHBondContact O-N 2.83Å; R178-D181 PolarHBondContact N-OD2 2.74Å; R178-D181 WeakPolarHBondContact O-CB 3.26Å; R178-D181 PolarHBondContact O-N 2.77Å
179R96.3Very high91.2Very high187 Ų18773.3 Ų73.371%0.70638%0.384SS*.THydrogen-bonded Turntrans-52.1130.3174.7174.2176174.8-167.5-1110.1L164 D166L164-R179 WeakPolarHBondContact O-CD 3.46Å; L164-R179 WeakPolarHBondContact O-CG 3.21Å; D166-R179 VanDerWaalsContact OD1-CB 3.28Å; D166-R179 WeakPolarHBondContact OD1-CB 3.5Å; D166-R179 PolarHBondContact OD1-N 2.82Å
180G93.2Very high90.9Very high28 Ų2873.7 Ų73.729%0.28938%0.382SS..THydrogen-bonded Turntrans93.8-14.5-178.100000114.2Q162 A163 R178Q162-G180 PolarHBondContact NE2-O 3.15Å; A163-G180 PolarHBondContact O-N 2.98Å; R178-G180 PolarHBondContact O-N 2.83Å
181D95Very high90.3Very high30 Ų3069.8 Ų69.816%0.1637%0.372CS..  trans-61.4144.4176.9-74.5-12.4000111.3Q162 A163 F177 R178 H199Q162-D181 CarbonylContact C-O 3.52Å; Q162-D181 WeakPolarHBondContact CA-O 3.3Å; A163-D181 HydrophobicContact CB-CB 4.36Å; A163-D181 PolarHBondContact N-O 2.95Å; F177-D181 HydrophobicContact CB-CB 4.27Å; R178-D181 PolarHBondContact N-OD2 2.74Å; R178-D181 WeakPolarHBondContact O-CB 3.26Å; R178-D181 PolarHBondContact O-N 2.77Å; D181-H199 IonicContact OD1-CE1 2.73Å; D181-H199 IonicContact OD1-NE2 3.52Å; D181-H199 IonicContact OD2-CE1 3.62Å; D181-H199 PolarHBondContact OD2-CE1 2.81Å; D181-H199 IonicContact OD2-ND1 2.79Å
182F93.2Very high90.3Very high106 Ų10668 Ų6847%0.46537%0.367SS..EExtended strand (participates in β ladder)trans-93.5124.9171.1-67.7-86.3000109.4V161 Q162 V213V161-F182 WeakPolarHBondContact O-CA 3.38Å; Q162-F182 HydrophobicContact CB-CD1 4.4Å; Q162-F182 HydrophobicContact CB-CE1 4.28Å; Q162-F182 HydrophobicContact CG-CE1 4.39Å; F182-V213 HydrophobicContact CD1-CG2 4Å; F182-V213 HydrophobicContact CE1-CB 4.49Å; F182-V213 HydrophobicContact CE1-CG1 4.03Å; F182-V213 HydrophobicContact CE1-CG2 3.81Å
183I94.3Very high90.4Very high0 Ų064 Ų640%034%0.338CS..EExtended strand (participates in β ladder)trans-111.4125.3180-53.7170.8000107.6Y160 V161 L175 F177 V185 C198 F205 V210Y160-I183 WeakPolarHBondContact CA-O 3.44Å; V161-I183 HydrophobicContact CG2-CB 3.79Å; V161-I183 HydrophobicContact CG2-CG2 4.43Å; V161-I183 PolarHBondContact N-O 3.17Å; V161-I183 PolarHBondContact O-N 3.47Å; L175-I183 HydrophobicContact CD2-CG2 3.75Å; F177-I183 HydrophobicContact CB-CD1 4.23Å; F177-I183 HydrophobicContact CD1-CD1 3.54Å; F177-I183 HydrophobicContact CD2-CD1 3.95Å; F177-I183 HydrophobicContact CE1-CD1 3.81Å; F177-I183 HydrophobicContact CE2-CD1 4.15Å; F177-I183 HydrophobicContact CG-CD1 3.62Å; F177-I183 HydrophobicContact CG-CG1 4.45Å; F177-I183 HydrophobicContact CZ-CD1 4.08Å; I183-V185 PolarHBondContact O-N 3.4Å; I183-C198 HydrophobicContact CG1-CB 4.17Å; I183-F205 HydrophobicContact CD1-CD2 4.42Å; I183-F205 HydrophobicContact CG2-CD1 4.21Å; I183-F205 HydrophobicContact CG2-CE1 3.68Å; I183-F205 HydrophobicContact CG2-CZ 3.95Å; I183-V210 HydrophobicContact CD1-CG1 3.9Å
184H91.3Very high90.5Very high68 Ų6862.3 Ų62.332%0.31532%0.316SS..EExtended strand (participates in β ladder)trans-78.7114.9171.9179.7-127.7000109.1T159 Y160 M186 G196 A197T159-H184 WeakPolarHBondContact CG2-NE2 3.31Å; T159-H184 CarbonylContact O-C 3.44Å; T159-H184 WeakPolarHBondContact O-CA 3.09Å; T159-H184 PolarHBondContact O-CD2 3.01Å; Y160-H184 HydrophobicContact CD1-CB 4.08Å; Y160-H184 HydrophobicContact CE1-CB 3.66Å; Y160-H184 AromaticContact CE1-CD2 3.83Å; Y160-H184 AromaticContact CE2-CD2 3.97Å; Y160-H184 AromaticContact CZ-CD2 3.61Å; H184-M186 PolarHBondContact O-N 2.91Å; H184-G196 CarbonylContact O-C 3.52Å; H184-G196 WeakPolarHBondContact O-CA 3.28Å; H184-A197 HydrophobicContact CB-CB 4.39Å; H184-A197 PolarHBondContact N-O 2.8Å; H184-A197 PolarHBondContact O-N 2.68Å
185V91Very high90.3Very high13 Ų1365.2 Ų65.28%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-78.2121.9-179.8-175.30000109.1P158 T159 V161 I183 N188 W194 F205P158-V185 WeakPolarHBondContact O-CB 3.16Å; P158-V185 VanDerWaalsContact O-CG2 3.29Å; P158-V185 WeakPolarHBondContact O-CG2 3.34Å; T159-V185 PolarHBondContact O-N 2.83Å; V161-V185 HydrophobicContact CB-CG2 4.26Å; V161-V185 HydrophobicContact CG1-CG2 3.62Å; V161-V185 HydrophobicContact CG2-CG2 3.76Å; I183-V185 PolarHBondContact O-N 3.4Å; V185-N188 HydrophobicContact CG1-CB 3.99Å; V185-W194 HydrophobicContact CG1-CE3 3.93Å; V185-W194 HydrophobicContact CG1-CZ3 4.36Å; V185-W194 HydrophobicContact CG2-CE3 4.06Å; V185-W194 HydrophobicContact CG2-CZ3 4.22Å; V185-F205 HydrophobicContact CG2-CZ 4.32Å
186M85.4Confident90.2Very high110 Ų11065.2 Ų65.254%0.54233%0.328SS..EExtended strand (participates in β ladder)trans-103.3-34.6179.6-62.3-17770.500112.2H184 K195 A197 T202H184-M186 PolarHBondContact O-N 2.91Å; M186-K195 PolarHBondContact N-O 3.47Å; M186-A197 HydrophobicContact SD-CB 4.08Å; M186-T202 HydrophobicContact SD-CG2 4.08Å
187D82.2Confident90.1Very high74 Ų7465.5 Ų65.540%0.39633%0.329SS..EExtended strand (participates in β ladder)trans-150143.7175.3-168.4-7.1000109.3S189 W194 K195D187-S189 VanDerWaalsContact OD1-CB 3.27Å; D187-S189 WeakPolarHBondContact OD1-CB 3.24Å; D187-S189 PolarHBondContact OD1-N 3.28Å; D187-S189 PolarHBondContact OD1-OG 2.79Å; D187-W194 CarbonylContact O-C 3.5Å; D187-W194 WeakPolarHBondContact O-CA 3.49Å; D187-W194 WeakPolarHBondContact O-CB 3.07Å; D187-K195 HydrophobicContact CB-CB 3.83Å; D187-K195 PolarHBondContact N-O 2.92Å; D187-K195 PolarHBondContact O-N 2.77Å
188N85.2Confident89.9Confident20 Ų2065.6 Ų65.611%0.10733%0.33CS..  trans-152.825-177.154.119.1000110.4Q157 V185 D190 W194Q157-N188 WeakPolarHBondContact CB-ND2 3.12Å; Q157-N188 WeakPolarHBondContact CG-ND2 3.41Å; Q157-N188 PolarHBondContact NE2-ND2 2.89Å; Q157-N188 PolarHBondContact NE2-OD1 2.75Å; Q157-N188 PolarHBondContact OE1-ND2 2.92Å; Q157-N188 PolarHBondContact OE1-OD1 2.93Å; V185-N188 HydrophobicContact CG1-CB 3.99Å; N188-D190 PolarHBondContact O-N 3.02Å; N188-W194 HydrophobicContact CB-CB 4.37Å; N188-W194 HydrophobicContact CB-CD2 3.38Å; N188-W194 HydrophobicContact CB-CE3 3.94Å; N188-W194 HydrophobicContact CB-CG 3.6Å; N188-W194 HydrophobicContact CB-CH2 4.23Å; N188-W194 HydrophobicContact CB-CZ2 3.76Å; N188-W194 HydrophobicContact CB-CZ3 4.34Å
189S73.7Confident89.6Confident104 Ų10467 Ų6773%0.72734%0.341SS*.  trans-61.1-26.5177.5-570000111.4D187D187-S189 VanDerWaalsContact OD1-CB 3.27Å; D187-S189 WeakPolarHBondContact OD1-CB 3.24Å; D187-S189 PolarHBondContact OD1-N 3.28Å; D187-S189 PolarHBondContact OD1-OG 2.79Å
190D84.4Confident89.1Confident74 Ų7462.3 Ų62.340%0.39635%0.351SS..SBendtrans-88.1137.6172.2-175-78000111.4N188 N192 W193 W194N188-D190 PolarHBondContact O-N 3.02Å; D190-N192 VanDerWaalsContact C-N 3.29Å; D190-N192 PolarHBondContact O-N 3.42Å; D190-N192 WeakPolarHBondContact OD1-CA 3.41Å; D190-N192 PolarHBondContact OD1-N 3.47Å; D190-W193 WeakPolarHBondContact CB-O 3.47Å; D190-W193 PolarHBondContact OD1-N 2.84Å; D190-W194 PolarHBondContact O-NE1 3.35Å
191P80.2Confident89.1Confident96 Ų9666.8 Ų66.862%0.62337%0.365SS*.SBendtrans-68.8-22.8-177.526.4-35.1000114.5
192N90.1Very high89Confident106 Ų10669.6 Ų69.657%0.56738%0.383SS*.SBendtrans-111.7-36.4-172.4-63.2-42.2000112.9D190 P206 R207D190-N192 VanDerWaalsContact C-N 3.29Å; D190-N192 PolarHBondContact O-N 3.42Å; D190-N192 WeakPolarHBondContact OD1-CA 3.41Å; D190-N192 PolarHBondContact OD1-N 3.47Å; N192-P206 CarbonylContact O-C 3.54Å; N192-P206 WeakPolarHBondContact O-CA 3.42Å; N192-R207 PolarHBondContact O-N 2.75Å
193W92.6Very high89.1Confident95 Ų9564.7 Ų64.736%0.3636%0.363SS..EExtended strand (participates in β ladder)trans-123.3115.5-172.6-77.494.2000112F167 E174 D190 M204F167-W193 HydrophobicContact CE2-CH2 4.49Å; F167-W193 AromaticContact CZ-CH2 3.91Å; F167-W193 HydrophobicContact CZ-CH2 3.91Å; F167-W193 HydrophobicContact CZ-CZ3 4.02Å; E174-W193 HydrophobicContact CG-CZ3 4.18Å; E174-W193 WeakPolarHBondContact OE1-CH2 3.43Å; D190-W193 WeakPolarHBondContact CB-O 3.47Å; D190-W193 PolarHBondContact OD1-N 2.84Å; W193-M204 HydrophobicContact CB-CE 3.85Å; W193-M204 HydrophobicContact CE3-CB 3.98Å; W193-M204 HydrophobicContact CZ3-CB 4.43Å; W193-M204 WeakPolarHBondContact O-CE 3.43Å
194W93Very high89.2Confident18 Ų1868 Ų687%0.06838%0.379CS..EExtended strand (participates in β ladder)trans-107.2147.9-176.7-68.85.8000110.5P158 V161 V185 D187 N188 D190 M204 F205 R207P158-W194 HydrophobicContact CG-CH2 4.38Å; P158-W194 HydrophobicContact CG-CZ3 4.25Å; V161-W194 HydrophobicContact CG1-CZ3 4Å; V185-W194 HydrophobicContact CG1-CE3 3.93Å; V185-W194 HydrophobicContact CG1-CZ3 4.36Å; V185-W194 HydrophobicContact CG2-CE3 4.06Å; V185-W194 HydrophobicContact CG2-CZ3 4.22Å; D187-W194 CarbonylContact O-C 3.5Å; D187-W194 WeakPolarHBondContact O-CA 3.49Å; D187-W194 WeakPolarHBondContact O-CB 3.07Å; N188-W194 HydrophobicContact CB-CB 4.37Å; N188-W194 HydrophobicContact CB-CD2 3.38Å; N188-W194 HydrophobicContact CB-CE3 3.94Å; N188-W194 HydrophobicContact CB-CG 3.6Å; N188-W194 HydrophobicContact CB-CH2 4.23Å; N188-W194 HydrophobicContact CB-CZ2 3.76Å; N188-W194 HydrophobicContact CB-CZ3 4.34Å; D190-W194 PolarHBondContact O-NE1 3.35Å; W194-M204 CarbonylContact O-C 3.59Å; W194-M204 VanDerWaalsContact O-CA 3.25Å; W194-M204 WeakPolarHBondContact O-CA 3.46Å; W194-F205 HydrophobicContact CB-CD1 4.48Å; W194-F205 HydrophobicContact CB-CE1 3.89Å; W194-F205 HydrophobicContact CB-CE2 3.95Å; W194-F205 HydrophobicContact CB-CZ 3.61Å; W194-F205 HydrophobicContact CE3-CE2 4.36Å; W194-F205 HydrophobicContact CE3-CZ 4.21Å; W194-F205 PolarHBondContact N-O 3.44Å; W194-F205 WeakPolarHBondContact O-CD1 3.12Å; W194-F205 PolarHBondContact O-N 2.86Å; W194-R207 HydrophobicContact CD2-CB 4.13Å; W194-R207 HydrophobicContact CD2-CG 4.17Å; W194-R207 HydrophobicContact CG-CB 4.26Å; W194-R207 HydrophobicContact CH2-CG 4.32Å; W194-R207 HydrophobicContact CZ2-CG 3.76Å; W194-R207 VanDerWaalsContact CZ3-CD 3.42Å
195K91.9Very high89.5Confident93 Ų9364.8 Ų64.840%0.40436%0.364SS..EExtended strand (participates in β ladder)trans-92.8132.5170.2-165.6174-179.3172.90109.5M186 D187 G203 M204M186-K195 PolarHBondContact N-O 3.47Å; D187-K195 HydrophobicContact CB-CB 3.83Å; D187-K195 PolarHBondContact N-O 2.92Å; D187-K195 PolarHBondContact O-N 2.77Å; K195-G203 WeakPolarHBondContact CA-O 3.17Å; K195-M204 HydrophobicContact CB-SD 3.68Å; K195-M204 HydrophobicContact CG-SD 4.06Å
196G93.3Very high89.6Confident0 Ų064.6 Ų64.60%036%0.363CS..EExtended strand (participates in β ladder)trans-148.5-179.9175.600000113.7H184 T202 G203H184-G196 CarbonylContact O-C 3.52Å; H184-G196 WeakPolarHBondContact O-CA 3.28Å; G196-T202 VanDerWaalsContact O-CA 3.24Å; G196-T202 WeakPolarHBondContact O-CA 3.23Å; G196-G203 PolarHBondContact N-O 3.01Å; G196-G203 PolarHBondContact O-N 3.39Å
197A92.8Very high90Very high26 Ų2662.4 Ų62.422%0.21535%0.349CS..EExtended strand (participates in β ladder)trans-125.3130.7175.400000110.6H184 M186 Q201 T202H184-A197 HydrophobicContact CB-CB 4.39Å; H184-A197 PolarHBondContact N-O 2.8Å; H184-A197 PolarHBondContact O-N 2.68Å; M186-A197 HydrophobicContact SD-CB 4.08Å; A197-Q201 CarbonylContact C-O 3.45Å; A197-Q201 WeakPolarHBondContact CA-O 2.89Å; A197-T202 HydrophobicContact CB-CG2 3.94Å
198C92.5Very high90.6Very high7 Ų764.4 Ų64.45%0.04736%0.36CS..EExtended strand (participates in β ladder)trans-145.2138.9174.2-166.60000109L175 I183 G200 Q201L175-C198 HydrophobicContact CD1-CB 4.17Å; L175-C198 HydrophobicContact CD2-CB 3.95Å; L175-C198 HydrophobicContact CG-CB 4.31Å; I183-C198 HydrophobicContact CG1-CB 4.17Å; C198-G200 PolarHBondContact O-N 3.35Å; C198-Q201 PolarHBondContact N-O 3.11Å; C198-Q201 PolarHBondContact O-N 2.97Å
199H89.8Confident91.1Very high151 Ų15167.1 Ų67.170%0.69937%0.369SS*.THydrogen-bonded Turntrans49.136.8178.5-58.2150.7000115.4D181 Q201D181-H199 IonicContact OD1-CE1 2.73Å; D181-H199 IonicContact OD1-NE2 3.52Å; D181-H199 IonicContact OD2-CE1 3.62Å; D181-H199 PolarHBondContact OD2-CE1 2.81Å; D181-H199 IonicContact OD2-ND1 2.79Å; H199-Q201 PolarHBondContact O-N 3.17Å
200G86.9Confident92Very high89 Ų8962.3 Ų62.392%0.91834%0.335SS*.THydrogen-bonded Turntrans75.81-179.300000114.8C198C198-G200 PolarHBondContact O-N 3.35Å
201Q92.4Very high92.3Very high123 Ų12361.4 Ų61.458%0.57533%0.332SS*.EExtended strand (participates in β ladder)trans-100.8152.3172.3-61.6-175.1-4.400110.5L175 A197 C198 H199L175-Q201 HydrophobicContact CD1-CB 3.89Å; L175-Q201 WeakPolarHBondContact CD1-O 3.49Å; A197-Q201 CarbonylContact C-O 3.45Å; A197-Q201 WeakPolarHBondContact CA-O 2.89Å; C198-Q201 PolarHBondContact N-O 3.11Å; C198-Q201 PolarHBondContact O-N 2.97Å; H199-Q201 PolarHBondContact O-N 3.17Å
202T93.9Very high92.6Very high88 Ų8859.4 Ų59.454%0.5432%0.319SS..EExtended strand (participates in β ladder)trans-126.4139.7174.759.50000109.9M186 G196 A197M186-T202 HydrophobicContact SD-CG2 4.08Å; G196-T202 VanDerWaalsContact O-CA 3.24Å; G196-T202 WeakPolarHBondContact O-CA 3.23Å; A197-T202 HydrophobicContact CB-CG2 3.94Å
203G95.6Very high92.2Very high4 Ų456 Ų564%0.04130%0.302CS..EExtended strand (participates in β ladder)trans-178.3-177.9179.200000112.6G173 K195 G196G173-G203 CarbonylContact O-C 3.57Å; G173-G203 WeakPolarHBondContact O-CA 3.41Å; K195-G203 WeakPolarHBondContact CA-O 3.17Å; G196-G203 PolarHBondContact N-O 3.01Å; G196-G203 PolarHBondContact O-N 3.39Å
204M96.3Very high90.5Very high69 Ų6958 Ų5834%0.3432%0.32SS..EExtended strand (participates in β ladder)trans-86.1142.1177.6-59.6-61-68.900110.9G173 E174 L175 W193 W194 K195G173-M204 PolarHBondContact O-N 3.49Å; E174-M204 CarbonylContact C-O 3.44Å; E174-M204 VanDerWaalsContact CA-O 3.27Å; E174-M204 WeakPolarHBondContact CA-O 3.21Å; L175-M204 PolarHBondContact N-O 3Å; W193-M204 HydrophobicContact CB-CE 3.85Å; W193-M204 HydrophobicContact CE3-CB 3.98Å; W193-M204 HydrophobicContact CZ3-CB 4.43Å; W193-M204 WeakPolarHBondContact O-CE 3.43Å; W194-M204 CarbonylContact O-C 3.59Å; W194-M204 VanDerWaalsContact O-CA 3.25Å; W194-M204 WeakPolarHBondContact O-CA 3.46Å; K195-M204 HydrophobicContact CB-SD 3.68Å; K195-M204 HydrophobicContact CG-SD 4.06Å
205F95.8Very high88.4Confident0 Ų065.5 Ų65.50%035%0.348CS..EExtended strand (participates in β ladder)trans-143.9153.1174.464.5-85000111.3V161 L175 F177 I183 V185 W194 V210V161-F205 HydrophobicContact CG2-CE2 4.16Å; V161-F205 HydrophobicContact CG2-CZ 4.1Å; L175-F205 HydrophobicContact CD2-CD1 4.05Å; F177-F205 HydrophobicContact CD1-CB 4.43Å; F177-F205 HydrophobicContact CE1-CB 3.5Å; F177-F205 HydrophobicContact CE1-CD2 4.42Å; F177-F205 HydrophobicContact CE1-CG 4.13Å; F177-F205 HydrophobicContact CZ-CB 4.21Å; I183-F205 HydrophobicContact CD1-CD2 4.42Å; I183-F205 HydrophobicContact CG2-CD1 4.21Å; I183-F205 HydrophobicContact CG2-CE1 3.68Å; I183-F205 HydrophobicContact CG2-CZ 3.95Å; V185-F205 HydrophobicContact CG2-CZ 4.32Å; W194-F205 HydrophobicContact CB-CD1 4.48Å; W194-F205 HydrophobicContact CB-CE1 3.89Å; W194-F205 HydrophobicContact CB-CE2 3.95Å; W194-F205 HydrophobicContact CB-CZ 3.61Å; W194-F205 HydrophobicContact CE3-CE2 4.36Å; W194-F205 HydrophobicContact CE3-CZ 4.21Å; W194-F205 PolarHBondContact N-O 3.44Å; W194-F205 WeakPolarHBondContact O-CD1 3.12Å; W194-F205 PolarHBondContact O-N 2.86Å; F205-V210 HydrophobicContact CD2-CG1 3.84Å; F205-V210 HydrophobicContact CE2-CB 4.39Å; F205-V210 HydrophobicContact CE2-CG1 3.67Å; F205-V210 HydrophobicContact CE2-CG2 3.83Å
206P94.9Very high85.7Confident10 Ų1068.4 Ų68.47%0.06537%0.369CS..EExtended strand (participates in β ladder)trans-76.4130.6-178.329.9-35.3000111.8F167 N192 N208 Y209F167-P206 HydrophobicContact CD2-CG 3.85Å; F167-P206 HydrophobicContact CE2-CG 3.64Å; F167-P206 HydrophobicContact CZ-CG 4.16Å; N192-P206 CarbonylContact O-C 3.54Å; N192-P206 WeakPolarHBondContact O-CA 3.42Å; P206-N208 VanDerWaalsContact C-N 3.26Å; P206-N208 WeakPolarHBondContact CB-OD1 3.23Å; P206-N208 PolarHBondContact O-N 2.79Å; P206-Y209 HydrophobicContact CB-CD2 4.05Å; P206-Y209 HydrophobicContact CG-CD1 4.47Å; P206-Y209 HydrophobicContact CG-CD2 3.49Å; P206-Y209 VanDerWaalsContact CG-CD2 3.49Å; P206-Y209 HydrophobicContact CG-CE2 3.99Å; P206-Y209 HydrophobicContact CG-CG 3.78Å; P206-Y209 WeakPolarHBondContact O-CB 3.34Å; P206-Y209 PolarHBondContact O-N 2.72Å; P206-Y209 VanDerWaalsContact O-N 3.07Å
207R93.1Very high82.7Confident63 Ų6377.8 Ų77.824%0.23843%0.425CS..G310 helixtrans-59.9-32.4-177171.651.9179.8106.4-4.2113.5N192 W194 Y209 V210N192-R207 PolarHBondContact O-N 2.75Å; W194-R207 HydrophobicContact CD2-CB 4.13Å; W194-R207 HydrophobicContact CD2-CG 4.17Å; W194-R207 HydrophobicContact CG-CB 4.26Å; W194-R207 HydrophobicContact CH2-CG 4.32Å; W194-R207 HydrophobicContact CZ2-CG 3.76Å; W194-R207 VanDerWaalsContact CZ3-CD 3.42Å; R207-Y209 PolarHBondContact O-N 2.96Å; R207-V210 PolarHBondContact NH1-O 2.9Å; R207-V210 VanDerWaalsContact O-CG2 3.31Å; R207-V210 WeakPolarHBondContact O-CG2 2.84Å; R207-V210 PolarHBondContact O-N 2.87Å
208N94.2Very high82.2Confident116 Ų11680.4 Ų80.462%0.6244%0.436SS*.G310 helixtrans-72.4-7.1179.163-31000113.6P206 V210P206-N208 VanDerWaalsContact C-N 3.26Å; P206-N208 WeakPolarHBondContact CB-OD1 3.23Å; P206-N208 PolarHBondContact O-N 2.79Å; N208-V210 VanDerWaalsContact C-N 3.34Å
209Y95.2Very high81.6Confident77 Ų7784.2 Ų84.230%0.30246%0.456SS..G310 helixtrans-89.4-1.3176.3-82.6-123.5000113.4L164 F165 D166 F167 P206 R207L164-Y209 WeakPolarHBondContact CB-O 3.39Å; L164-Y209 PolarHBondContact N-O 2.83Å; F165-Y209 HydrophobicContact CB-CD1 3.82Å; F165-Y209 HydrophobicContact CB-CE1 4.09Å; F165-Y209 HydrophobicContact CD2-CD1 4.26Å; F165-Y209 HydrophobicContact CD2-CG 4.3Å; D166-Y209 WeakPolarHBondContact O-CE1 3.42Å; F167-Y209 HydrophobicContact CB-CD1 4.06Å; F167-Y209 HydrophobicContact CB-CE1 4.41Å; F167-Y209 HydrophobicContact CD2-CD1 4.06Å; F167-Y209 AromaticContact CD2-CE1 3.94Å; F167-Y209 HydrophobicContact CD2-CE1 3.94Å; F167-Y209 HydrophobicContact CG-CD1 4.46Å; P206-Y209 HydrophobicContact CB-CD2 4.05Å; P206-Y209 HydrophobicContact CG-CD1 4.47Å; P206-Y209 HydrophobicContact CG-CD2 3.49Å; P206-Y209 VanDerWaalsContact CG-CD2 3.49Å; P206-Y209 HydrophobicContact CG-CE2 3.99Å; P206-Y209 HydrophobicContact CG-CG 3.78Å; P206-Y209 WeakPolarHBondContact O-CB 3.34Å; P206-Y209 PolarHBondContact O-N 2.72Å; P206-Y209 VanDerWaalsContact O-N 3.07Å; R207-Y209 PolarHBondContact O-N 2.96Å
210V93.8Very high81.2Confident4 Ų480.5 Ų80.52%0.02444%0.443CS..EExtended strand (participates in β ladder)trans-133.1158.4-172.4-55.50000112.3V161 Q162 F177 I183 F205 R207 N208V161-V210 HydrophobicContact CB-CB 3.81Å; V161-V210 HydrophobicContact CB-CG2 3.83Å; V161-V210 HydrophobicContact CG1-CG2 4.1Å; V161-V210 HydrophobicContact CG2-CB 3.71Å; V161-V210 HydrophobicContact CG2-CG1 3.88Å; V161-V210 HydrophobicContact CG2-CG2 3.76Å; Q162-V210 CarbonylContact O-C 3.52Å; Q162-V210 VanDerWaalsContact O-CA 3.25Å; Q162-V210 WeakPolarHBondContact O-CA 3.19Å; F177-V210 HydrophobicContact CZ-CG1 4.47Å; I183-V210 HydrophobicContact CD1-CG1 3.9Å; F205-V210 HydrophobicContact CD2-CG1 3.84Å; F205-V210 HydrophobicContact CE2-CB 4.39Å; F205-V210 HydrophobicContact CE2-CG1 3.67Å; F205-V210 HydrophobicContact CE2-CG2 3.83Å; R207-V210 PolarHBondContact NH1-O 2.9Å; R207-V210 VanDerWaalsContact O-CG2 3.31Å; R207-V210 WeakPolarHBondContact O-CG2 2.84Å; R207-V210 PolarHBondContact O-N 2.87Å; N208-V210 VanDerWaalsContact C-N 3.34Å
211T90.7Very high80.8Confident54 Ų5480 Ų8033%0.33142%0.415SS..EExtended strand (participates in β ladder)trans-121.2141.6170.9-174.30000110.9V161 Q162 L164 V213V161-T211 CarbonylContact C-O 3.56Å; V161-T211 VanDerWaalsContact CA-O 3.22Å; V161-T211 WeakPolarHBondContact CA-O 3.47Å; V161-T211 WeakPolarHBondContact CB-O 3.38Å; Q162-T211 HydrophobicContact CB-CG2 4.13Å; Q162-T211 PolarHBondContact N-O 2.75Å; Q162-T211 PolarHBondContact O-N 3.45Å; L164-T211 HydrophobicContact CD2-CG2 3.75Å; L164-T211 HydrophobicContact CG-CG2 4.23Å; T211-V213 PolarHBondContact O-N 2.94Å
212P85.8Confident80.1Confident54 Ų5477.3 Ų77.335%0.35141%0.405SS..EExtended strand (participates in β ladder)trans-54135.9170.8-23.534000111.4P158P158-P212 HydrophobicContact CB-CB 3.84Å; P158-P212 HydrophobicContact CG-CB 3.83Å; P158-P212 HydrophobicContact CG-CG 4.07Å
213V81.6Confident79.2Confident34 Ų3476.6 Ų76.621%0.20640%0.396CS..  trans-105.2104.9170.4-176.10000107.7Y160 Q162 F182 T211 R215Y160-V213 PolarHBondContact O-N 3.08Å; Y160-V213 VanDerWaalsContact O-N 3.09Å; Q162-V213 HydrophobicContact CB-CG2 3.56Å; F182-V213 HydrophobicContact CD1-CG2 4Å; F182-V213 HydrophobicContact CE1-CB 4.49Å; F182-V213 HydrophobicContact CE1-CG1 4.03Å; F182-V213 HydrophobicContact CE1-CG2 3.81Å; T211-V213 PolarHBondContact O-N 2.94Å; V213-R215 HydrophobicContact CG1-CG 4.43Å; V213-R215 PolarHBondContact O-N 2.97Å; V213-R215 VanDerWaalsContact O-N 3.11Å
214N57Low78Confident139 Ų13981.8 Ų81.874%0.74342%0.421SS*.  trans-75.198.6167.3-78.3-16.8000107.8N216N214-N216 PolarHBondContact O-N 3.19Å
215R49.9Very low76.6Confident174 Ų17482.8 Ų82.866%0.65743%0.427SS*.  trans-71.777.4163.1-82.9-171.1176.1179.80108.8V213 V217V213-R215 HydrophobicContact CG1-CG 4.43Å; V213-R215 PolarHBondContact O-N 2.97Å; V213-R215 VanDerWaalsContact O-N 3.11Å; R215-V217 VanDerWaalsContact C-N 3.27Å
216N34.1Very low75Confident155 Ų15589.7 Ų89.783%0.82946%0.463SS*.  trans-88.679.8148.6-72.9-20.7000105.7N214N214-N216 PolarHBondContact O-N 3.19Å
217V29.8Very low73.2Confident196 Ų19696.9 Ų96.9100%1.18850%0.499SS*.  trans-125.20168.3-170.80000107.3R215R215-V217 VanDerWaalsContact C-N 3.27Å

Retrieved 217 of 217 residues in 333.3 ms (Link to these results)

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