A0A096N0R2_PAPAN Loading...

RRM domain-containing protein

AlphaFold DB (A0A1D5R335), UniProt , Accession A0A096N0R2, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 161 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
1M43.8Very low78.6Confident229 Ų22998.3 Ų98.3100%1.12848%0.481SS*.  0106.60-73.5170.7175.900104.6D3M1-D3 PolarHBondContact O-N 3.41Å
2E50.4Low79.7Confident196 Ų19690.3 Ų90.392%0.91644%0.443SS*.  trans-71.3100.5174.7-75.7160.8120.600106.3E4E2-E4 PolarHBondContact O-N 3.35Å
3D59.1Low80.6Confident148 Ų14886.6 Ų86.679%0.79143%0.426SS*.  trans-47.9103167.5-76.4-82.2000107.9M1 M5M1-D3 PolarHBondContact O-N 3.41Å; D3-M5 PolarHBondContact O-N 3.31Å
4E72.6Confident81.4Confident166 Ų16680.5 Ų80.578%0.77640%0.396SS*.  trans-55.7108.7176.4-95.1-16289.600107.6E2 P6 K7E2-E4 PolarHBondContact O-N 3.35Å; E4-P6 VanDerWaalsContact O-N 3.15Å; E4-K7 IonicContact OE1-NZ 3.88Å
5M82.3Confident82Confident124 Ų12476.3 Ų76.361%0.61138%0.378SS*.  trans-58.8124.5-177.1-64.1-179.7-115.800108.8D3 K7 H56D3-M5 PolarHBondContact O-N 3.31Å; M5-K7 PolarHBondContact O-N 3.32Å; M5-H56 HydrophobicContact CB-CB 3.82Å; M5-H56 HydrophobicContact SD-CB 4.48Å; M5-H56 PolarHBondContact SD-CD2 3.36Å
6P88.4Confident82.5Confident53 Ų5382.1 Ų82.134%0.34439%0.394SS..  trans-64.3133.4-17223.7-33.3000110.1E4 H56 W80E4-P6 VanDerWaalsContact O-N 3.15Å; P6-H56 PolarHBondContact O-ND1 3.46Å; P6-W80 HydrophobicContact CB-CE3 3.92Å; P6-W80 HydrophobicContact CB-CZ3 4.46Å; P6-W80 HydrophobicContact CG-CB 4.44Å; P6-W80 HydrophobicContact CG-CD2 3.81Å; P6-W80 HydrophobicContact CG-CE3 3.61Å; P6-W80 HydrophobicContact CG-CG 4.18Å; P6-W80 HydrophobicContact CG-CZ3 4.11Å; P6-W80 WeakPolarHBondContact O-CZ3 3.47Å
7K92.4Very high82.8Confident66 Ų6684.1 Ų84.129%0.28741%0.408SS..  trans-104.7-2.1178.9-64.2-178.9-73.1-770112.7E4 M5 F53 H56E4-K7 IonicContact OE1-NZ 3.88Å; M5-K7 PolarHBondContact O-N 3.32Å; K7-F53 PolarHBondContact O-N 3.47Å; K7-H56 HydrophobicContact CG-CB 4.25Å
8T92.4Very high83.2Confident22 Ų2279.6 Ų79.614%0.13539%0.386CS..EExtended strand (participates in β ladder)trans-110.9133.8-174.2-48.60000110.2V51 E52 A81T8-V51 CarbonylContact C-O 3.55Å; T8-V51 WeakPolarHBondContact CA-O 3.28Å; T8-E52 HydrophobicContact CG2-CB 4.44Å; T8-A81 HydrophobicContact CG2-CB 3.64Å; T8-A81 WeakPolarHBondContact O-CB 3.42Å; T8-A81 PolarHBondContact O-N 3.44Å
9L94.1Very high83.6Confident0 Ų079.5 Ų79.50%039%0.391CS..EExtended strand (participates in β ladder)trans-113.2139.1177.7-59.7-179.1000110.3F27 F50 V51 F53 A59 A62 L63 V78 N79 W80L9-F27 HydrophobicContact CD1-CD1 4.46Å; L9-F27 HydrophobicContact CD1-CE1 4Å; L9-F50 WeakPolarHBondContact O-CA 3.37Å; L9-V51 PolarHBondContact N-O 2.94Å; L9-V51 PolarHBondContact O-N 3.34Å; L9-F53 HydrophobicContact CD1-CD2 4.48Å; L9-F53 HydrophobicContact CD1-CE2 3.95Å; L9-A59 HydrophobicContact CD1-CB 4.45Å; L9-A59 WeakPolarHBondContact CD1-O 3.49Å; L9-A59 HydrophobicContact CD2-CB 4.37Å; L9-A59 HydrophobicContact CG-CB 4.28Å; L9-A62 HydrophobicContact CD1-CB 3.87Å; L9-L63 HydrophobicContact CD1-CB 4.36Å; L9-L63 HydrophobicContact CD2-CB 4.1Å; L9-L63 HydrophobicContact CD2-CD1 3.99Å; L9-V78 HydrophobicContact CB-CG1 4.07Å; L9-V78 HydrophobicContact CD1-CG1 3.89Å; L9-V78 HydrophobicContact CD2-CG1 4.45Å; L9-V78 HydrophobicContact CG-CG1 4.38Å; L9-N79 CarbonylContact C-O 3.57Å; L9-N79 WeakPolarHBondContact CA-O 3.26Å; L9-W80 HydrophobicContact CD2-CD2 4.14Å; L9-W80 HydrophobicContact CD2-CE3 3.41Å; L9-W80 VanDerWaalsContact CD2-CE3 3.41Å; L9-W80 HydrophobicContact CD2-CH2 4.32Å; L9-W80 HydrophobicContact CD2-CZ3 3.53Å
10Y94.7Very high84Confident77 Ų7779.8 Ų79.830%0.30239%0.391SS..EExtended strand (participates in β ladder)trans-91.8127.7164.7171.2-92.9000109Y48 F50 V78 N79Y10-Y48 HydrophobicContact CD2-CD2 4.28Å; Y10-Y48 AromaticContact CE2-CD2 3.62Å; Y10-Y48 HydrophobicContact CE2-CD2 3.62Å; Y10-Y48 HydrophobicContact CE2-CE2 4.44Å; Y10-Y48 AromaticContact CE2-CG 3.74Å; Y10-Y48 HydrophobicContact CE2-CG 3.74Å; Y10-F50 HydrophobicContact CD2-CD1 4.36Å; Y10-F50 AromaticContact CD2-CE1 3.71Å; Y10-F50 HydrophobicContact CD2-CE1 3.71Å; Y10-F50 AromaticContact CD2-CZ 3.92Å; Y10-F50 HydrophobicContact CD2-CZ 3.92Å; Y10-F50 HydrophobicContact CG-CE1 4.43Å; Y10-V78 CarbonylContact O-C 3.55Å; Y10-V78 VanDerWaalsContact O-CA 3.3Å; Y10-V78 WeakPolarHBondContact O-CA 3.41Å; Y10-N79 PolarHBondContact N-O 3.45Å; Y10-N79 PolarHBondContact O-N 3.04Å
11V94Very high84.3Confident0 Ų079.4 Ų79.40%040%0.401CS..EExtended strand (participates in β ladder)trans-119.5104.7178.9-170.50000108.3L14 F27 Y48 C49 V51 V76 K77 V78V11-L14 HydrophobicContact CG1-CD2 3.8Å; V11-L14 HydrophobicContact CG1-CG 4.43Å; V11-F27 HydrophobicContact CG1-CZ 4.27Å; V11-F27 HydrophobicContact CG2-CE1 4.07Å; V11-F27 HydrophobicContact CG2-CE2 4.17Å; V11-F27 HydrophobicContact CG2-CZ 3.51Å; V11-Y48 CarbonylContact O-C 3.57Å; V11-Y48 WeakPolarHBondContact O-CA 3.49Å; V11-Y48 WeakPolarHBondContact O-CB 3.41Å; V11-C49 HydrophobicContact CB-CB 4.27Å; V11-C49 PolarHBondContact N-O 3.24Å; V11-C49 PolarHBondContact O-N 3.47Å; V11-V51 HydrophobicContact CG2-CG2 4.13Å; V11-V76 HydrophobicContact CG1-CB 4.42Å; V11-K77 CarbonylContact C-O 3.54Å; V11-K77 WeakPolarHBondContact CA-O 3.25Å; V11-V78 HydrophobicContact CG1-CG2 4.29Å; V11-V78 HydrophobicContact CG2-CG1 4.46Å; V11-V78 HydrophobicContact CG2-CG2 4.46Å
12G92.5Very high86.5Confident2 Ų270.3 Ų70.32%0.02136%0.356CS..EExtended strand (participates in β ladder)trans-112177.5-178.200000113.6L14 K77G12-L14 VanDerWaalsContact C-N 3.29Å; G12-L14 PolarHBondContact O-N 3.37Å; G12-K77 PolarHBondContact N-O 2.61Å; G12-K77 PolarHBondContact O-N 2.91Å
13N91.7Very high88.6Confident43 Ų4361 Ų6123%0.2331%0.313CS..SBendtrans58.837.9-177.3-16634.5000113K74 E75 K77N13-K74 PolarHBondContact OD1-NZ 3.27Å; N13-E75 PolarHBondContact ND2-O 2.73Å; N13-K77 HydrophobicContact CB-CG 4.44Å
14L91.8Very high90.1Very high1 Ų157 Ų571%0.00529%0.291CS..  trans-75.9153176.3-58.9178.6000110.4V11 G12 V18 I23 M38 P47 C49 V76V11-L14 HydrophobicContact CG1-CD2 3.8Å; V11-L14 HydrophobicContact CG1-CG 4.43Å; G12-L14 VanDerWaalsContact C-N 3.29Å; G12-L14 PolarHBondContact O-N 3.37Å; L14-V18 HydrophobicContact CB-CB 4.38Å; L14-V18 HydrophobicContact CD1-CG1 4.43Å; L14-V18 HydrophobicContact CD2-CG1 4.39Å; L14-I23 HydrophobicContact CD1-CD1 4.34Å; L14-I23 HydrophobicContact CD1-CG1 4.36Å; L14-I23 HydrophobicContact CD2-CD1 3.92Å; L14-M38 HydrophobicContact CD1-CE 4.48Å; L14-P47 HydrophobicContact CB-CB 4.26Å; L14-P47 WeakPolarHBondContact CB-O 3.23Å; L14-P47 PolarHBondContact N-O 3.33Å; L14-P47 WeakPolarHBondContact O-CD 3.14Å; L14-C49 HydrophobicContact CD1-CB 3.89Å; L14-V76 HydrophobicContact CD2-CB 4.27Å; L14-V76 HydrophobicContact CD2-CG1 3.59Å
15S90.1Very high91Very high18 Ų1855.3 Ų55.313%0.12628%0.283CS..  trans-74.6157.1166.2-165.60000110.1D17 V18S15-D17 PolarHBondContact O-N 3.39Å; S15-D17 PolarHBondContact OG-OD2 2.98Å; S15-V18 WeakPolarHBondContact O-CB 3.26Å; S15-V18 PolarHBondContact O-N 3.48Å; S15-V18 VanDerWaalsContact O-N 3.12Å
16R89.1Confident91.3Very high169 Ų16950.8 Ų50.864%0.63826%0.261SS*.THydrogen-bonded Turntrans-65.3-22.2172.9-67-175.8179.6-133.4-2.2112.9V18 P47R16-V18 VanDerWaalsContact C-N 3.28Å; R16-P47 HydrophobicContact CG-CG 4.13Å
17D88.6Confident91.4Very high116 Ų11648.2 Ų48.262%0.6225%0.245SC*.THydrogen-bonded Turntrans-80.1-12.6176.5-40.8-70.2000112.8S15 T19S15-D17 PolarHBondContact O-N 3.39Å; S15-D17 PolarHBondContact OG-OD2 2.98Å; D17-T19 PolarHBondContact O-N 2.93Å
18V90.2Very high91.4Very high3 Ų347.9 Ų47.92%0.01825%0.251CS..  trans-75128.5177.1174.30000108.5L14 S15 R16 L22 I23 M38 I71 M72L14-V18 HydrophobicContact CB-CB 4.38Å; L14-V18 HydrophobicContact CD1-CG1 4.43Å; L14-V18 HydrophobicContact CD2-CG1 4.39Å; S15-V18 WeakPolarHBondContact O-CB 3.26Å; S15-V18 PolarHBondContact O-N 3.48Å; S15-V18 VanDerWaalsContact O-N 3.12Å; R16-V18 VanDerWaalsContact C-N 3.28Å; V18-L22 HydrophobicContact CG1-CD2 4.4Å; V18-I23 HydrophobicContact CG1-CD1 3.69Å; V18-I23 HydrophobicContact CG1-CG1 3.64Å; V18-M38 WeakPolarHBondContact O-CE 3.4Å; V18-I71 HydrophobicContact CG2-CG2 3.84Å; V18-M72 HydrophobicContact CG2-CB 4.23Å; V18-M72 HydrophobicContact CG2-CG 4.03Å
19T89.8Confident91.2Very high77 Ų7753.5 Ų53.547%0.47228%0.276SS..  trans-103.4158.7176.462.30000111.4D17 A21 L22 I23D17-T19 PolarHBondContact O-N 2.93Å; T19-A21 VanDerWaalsContact C-N 3.26Å; T19-A21 PolarHBondContact O-N 3.43Å; T19-L22 WeakPolarHBondContact O-CB 3.49Å; T19-L22 PolarHBondContact O-N 3.45Å; T19-L22 VanDerWaalsContact O-N 3.14Å; T19-L22 PolarHBondContact OG1-N 3.01Å; T19-I23 PolarHBondContact O-N 3.39Å; T19-I23 VanDerWaalsContact O-N 3.16Å
20E92Very high91Very high85 Ų8555.7 Ų55.740%0.39729%0.287SS..Hα-helixtrans-55.8-43.1173.9-170.9179.1121.800111.7L22 I23 L24 C36 M38E20-L22 VanDerWaalsContact C-N 3.3Å; E20-L22 PolarHBondContact O-N 2.99Å; E20-I23 PolarHBondContact O-N 3.39Å; E20-L24 WeakPolarHBondContact O-CB 3.44Å; E20-L24 PolarHBondContact O-N 3.02Å; E20-C36 HydrophobicContact CG-CB 4.47Å; E20-M38 HydrophobicContact CB-CB 3.89Å; E20-M38 HydrophobicContact CB-SD 4.39Å; E20-M38 HydrophobicContact CG-CB 4.14Å; E20-M38 PolarHBondContact N-SD 3.3Å; E20-M38 PolarHBondContact OE2-N 2.97Å
21A90.4Very high90.7Very high72 Ų7252.5 Ų52.560%0.59528%0.277SS*.Hα-helixtrans-59.1-39.2177.700000112.6T19 L24 Q25T19-A21 VanDerWaalsContact C-N 3.26Å; T19-A21 PolarHBondContact O-N 3.43Å; A21-L24 PolarHBondContact O-N 3.01Å; A21-Q25 WeakPolarHBondContact O-CB 3.34Å; A21-Q25 PolarHBondContact O-N 3.34Å
22L90.8Very high90.5Very high38 Ų3856 Ų5620%0.19930%0.299CS..Hα-helixtrans-65.8-45.3176.5177.161.6000111.3V18 T19 E20 Q25 L26 I71 M72V18-L22 HydrophobicContact CG1-CD2 4.4Å; T19-L22 WeakPolarHBondContact O-CB 3.49Å; T19-L22 PolarHBondContact O-N 3.45Å; T19-L22 VanDerWaalsContact O-N 3.14Å; T19-L22 PolarHBondContact OG1-N 3.01Å; E20-L22 VanDerWaalsContact C-N 3.3Å; E20-L22 PolarHBondContact O-N 2.99Å; L22-Q25 PolarHBondContact O-N 3.04Å; L22-L26 HydrophobicContact CD1-CD1 4.12Å; L22-L26 HydrophobicContact CD1-CG 4.27Å; L22-L26 HydrophobicContact CG-CD1 4.09Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.39Å; L22-L26 PolarHBondContact O-N 3.1Å; L22-I71 HydrophobicContact CD2-CG2 4.18Å; L22-M72 HydrophobicContact CD2-CE 3.93Å
23I92.9Very high90.5Very high0 Ų057 Ų570%031%0.306CS..Hα-helixtrans-60.2-48.8175.9-66.6-61.2000109.9L14 V18 T19 E20 Q25 L26 F27 C49 V51L14-I23 HydrophobicContact CD1-CD1 4.34Å; L14-I23 HydrophobicContact CD1-CG1 4.36Å; L14-I23 HydrophobicContact CD2-CD1 3.92Å; V18-I23 HydrophobicContact CG1-CD1 3.69Å; V18-I23 HydrophobicContact CG1-CG1 3.64Å; T19-I23 PolarHBondContact O-N 3.39Å; T19-I23 VanDerWaalsContact O-N 3.16Å; E20-I23 PolarHBondContact O-N 3.39Å; I23-Q25 VanDerWaalsContact C-N 3.32Å; I23-Q25 PolarHBondContact O-N 3.48Å; I23-L26 PolarHBondContact O-N 3.44Å; I23-L26 VanDerWaalsContact O-N 3.12Å; I23-F27 HydrophobicContact CG2-CD2 3.75Å; I23-F27 HydrophobicContact CG2-CE2 3.89Å; I23-F27 VanDerWaalsContact O-CD2 3.24Å; I23-F27 WeakPolarHBondContact O-CD2 3.22Å; I23-F27 PolarHBondContact O-N 3.24Å; I23-C49 HydrophobicContact CG2-CB 4.5Å; I23-V51 HydrophobicContact CG2-CG2 3.76Å
24L92.1Very high90.4Very high64 Ų6460.6 Ų60.634%0.33532%0.32SS..Hα-helixtrans-57.8-45.2179.1-171.664.2000111.6E20 A21 L26 F27 S28 C33 C36E20-L24 WeakPolarHBondContact O-CB 3.44Å; E20-L24 PolarHBondContact O-N 3.02Å; A21-L24 PolarHBondContact O-N 3.01Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 2.95Å; L24-F27 PolarHBondContact O-N 3.48Å; L24-S28 WeakPolarHBondContact O-CB 3.19Å; L24-S28 PolarHBondContact O-N 3.03Å; L24-S28 PolarHBondContact O-OG 2.89Å; L24-C33 HydrophobicContact CD1-CB 3.55Å; L24-C36 HydrophobicContact CD1-CB 3.84Å
25Q89.8Confident90.3Very high131 Ų13164.9 Ų64.961%0.61234%0.342SS*.Hα-helixtrans-62.5-37.8177.4-174.6179.3-92.600112.9A21 L22 I23 Q29A21-Q25 WeakPolarHBondContact O-CB 3.34Å; A21-Q25 PolarHBondContact O-N 3.34Å; L22-Q25 PolarHBondContact O-N 3.04Å; I23-Q25 VanDerWaalsContact C-N 3.32Å; I23-Q25 PolarHBondContact O-N 3.48Å; Q25-Q29 PolarHBondContact O-NE2 3.45Å; Q25-Q29 VanDerWaalsContact O-NE2 3.14Å
26L89.8Confident90.4Very high29 Ų2964.6 Ų64.615%0.15234%0.34CS..Hα-helixtrans-70.8-44.4178.8-71.2171.1000112L22 I23 L24 Q29 M66 I71L22-L26 HydrophobicContact CD1-CD1 4.12Å; L22-L26 HydrophobicContact CD1-CG 4.27Å; L22-L26 HydrophobicContact CG-CD1 4.09Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.39Å; L22-L26 PolarHBondContact O-N 3.1Å; I23-L26 PolarHBondContact O-N 3.44Å; I23-L26 VanDerWaalsContact O-N 3.12Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 2.95Å; L26-Q29 PolarHBondContact O-N 3.38Å; L26-M66 HydrophobicContact CB-CE 3.84Å; L26-M66 HydrophobicContact CD1-CE 4.1Å; L26-M66 HydrophobicContact CG-CE 4.43Å; L26-I71 HydrophobicContact CD1-CD1 3.65Å; L26-I71 HydrophobicContact CD1-CG1 4.43Å
27F90.7Very high90.5Very high0 Ų062.3 Ų62.30%034%0.335CS..Hα-helixtrans-74.8-30.4-179.4-78.6-105.1000111.9L9 V11 I23 L24 Q29 I30 G31 V51 F53 A62 M66 V78L9-F27 HydrophobicContact CD1-CD1 4.46Å; L9-F27 HydrophobicContact CD1-CE1 4Å; V11-F27 HydrophobicContact CG1-CZ 4.27Å; V11-F27 HydrophobicContact CG2-CE1 4.07Å; V11-F27 HydrophobicContact CG2-CE2 4.17Å; V11-F27 HydrophobicContact CG2-CZ 3.51Å; I23-F27 HydrophobicContact CG2-CD2 3.75Å; I23-F27 HydrophobicContact CG2-CE2 3.89Å; I23-F27 VanDerWaalsContact O-CD2 3.24Å; I23-F27 WeakPolarHBondContact O-CD2 3.22Å; I23-F27 PolarHBondContact O-N 3.24Å; L24-F27 PolarHBondContact O-N 3.48Å; F27-Q29 PolarHBondContact O-N 3Å; F27-I30 PolarHBondContact O-N 3.4Å; F27-G31 PolarHBondContact O-N 3.09Å; F27-V51 HydrophobicContact CB-CG1 4.14Å; F27-V51 HydrophobicContact CD1-CB 4.36Å; F27-V51 HydrophobicContact CD1-CG1 4.07Å; F27-V51 HydrophobicContact CD1-CG2 4.37Å; F27-V51 HydrophobicContact CG-CG1 4.22Å; F27-V51 HydrophobicContact CG-CG2 4.38Å; F27-F53 HydrophobicContact CB-CZ 3.88Å; F27-F53 AromaticContact CD1-CE2 3.84Å; F27-F53 HydrophobicContact CD1-CE2 3.84Å; F27-F53 AromaticContact CD1-CZ 3.75Å; F27-F53 HydrophobicContact CD1-CZ 3.75Å; F27-F53 HydrophobicContact CG-CZ 4.32Å; F27-A62 HydrophobicContact CD1-CB 3.9Å; F27-A62 HydrophobicContact CE1-CB 4.13Å; F27-M66 HydrophobicContact CE1-CB 4.49Å; F27-M66 HydrophobicContact CE1-CG 4.43Å; F27-M66 HydrophobicContact CE2-CE 4.15Å; F27-M66 HydrophobicContact CE2-CG 4.41Å; F27-M66 HydrophobicContact CZ-CB 4.07Å; F27-M66 HydrophobicContact CZ-CG 4.21Å; F27-V78 HydrophobicContact CZ-CG2 4.24Å
28S91Very high90.6Very high58 Ų5858.7 Ų58.741%0.40632%0.315SS..Hα-helixtrans-64.5-21.5175-63.70000113.8L24 I30 G31L24-S28 WeakPolarHBondContact O-CB 3.19Å; L24-S28 PolarHBondContact O-N 3.03Å; L24-S28 PolarHBondContact O-OG 2.89Å; S28-I30 PolarHBondContact O-N 3.05Å; S28-G31 WeakPolarHBondContact CA-O 3.38Å
29Q89.5Confident90.6Very high141 Ų14160.8 Ų60.866%0.65933%0.326SS*.THydrogen-bonded Turntrans-68.1-19173.6-73.3168.471.400112.9Q25 L26 F27Q25-Q29 PolarHBondContact O-NE2 3.45Å; Q25-Q29 VanDerWaalsContact O-NE2 3.14Å; L26-Q29 PolarHBondContact O-N 3.38Å; F27-Q29 PolarHBondContact O-N 3Å
30I89.1Confident90.5Very high46 Ų4664.6 Ų64.624%0.23634%0.34CS..THydrogen-bonded Turntrans-98.2-36.6-177.7-56.8-175.8000110.8F27 S28 H58 A61 A62 A65 M66F27-I30 PolarHBondContact O-N 3.4Å; S28-I30 PolarHBondContact O-N 3.05Å; I30-H58 PolarHBondContact O-CD2 3.48Å; I30-A61 HydrophobicContact CG2-CB 3.71Å; I30-A62 HydrophobicContact CB-CB 4.39Å; I30-A62 HydrophobicContact CD1-CB 3.84Å; I30-A62 HydrophobicContact CG2-CB 4.11Å; I30-A65 HydrophobicContact CD1-CB 3.78Å; I30-M66 HydrophobicContact CD1-CG 4.04Å
31G89.1Confident89.8Confident9 Ų963 Ų639%0.09333%0.334CS..SBendtrans-177.9171.717400000112.3F27 S28 C33 F53F27-G31 PolarHBondContact O-N 3.09Å; S28-G31 WeakPolarHBondContact CA-O 3.38Å; G31-C33 PolarHBondContact O-N 3.08Å; G31-F53 WeakPolarHBondContact O-CE1 3.42Å
32P89.6Confident89.1Confident73 Ų7366.5 Ų66.547%0.47435%0.348SS..  trans-64.9121.2-179.126.2-33.9000111.3F53 H54P32-F53 WeakPolarHBondContact O-CD1 3.49Å; P32-H54 HydrophobicContact CG-CB 4.36Å; P32-H54 PolarHBondContact O-CD2 3.19Å; P32-H54 PolarHBondContact O-N 2.85Å
33C91.8Very high88.5Confident23 Ų2368.5 Ų68.516%0.15537%0.37CS..EExtended strand (participates in β ladder)trans-83.4129.4173.2-58.40000109.7L24 G31 V51 E52L24-C33 HydrophobicContact CD1-CB 3.55Å; G31-C33 PolarHBondContact O-N 3.08Å; C33-V51 HydrophobicContact CB-CG1 4.47Å; C33-E52 CarbonylContact C-O 3.55Å
34K90.8Very high87.7Confident120 Ų12070.7 Ų70.752%0.52239%0.393SS..EExtended strand (participates in β ladder)trans-83.2-41.2175.9177.5176.9164.2-157.10111.6E52K34-E52 HydrophobicContact CB-CB 4.5Å; K34-E52 HydrophobicContact CB-CG 4.29Å; K34-E52 HydrophobicContact CD-CG 4.27Å; K34-E52 WeakPolarHBondContact CD-OE1 3.13Å; K34-E52 WeakPolarHBondContact CE-OE1 3.3Å; K34-E52 PolarHBondContact N-O 3.44Å; K34-E52 IonicContact NZ-OE1 2.74Å; K34-E52 PolarHBondContact NZ-OE1 3.27Å; K34-E52 IonicContact NZ-OE2 3.85Å
35N89.3Confident87.3Confident90 Ų9072.3 Ų72.348%0.48140%0.402SS..EExtended strand (participates in β ladder)trans-149148.5-179.4-165.423.1000110.4E52N35-E52 HydrophobicContact CB-CB 3.98Å; N35-E52 PolarHBondContact N-O 2.84Å; N35-E52 PolarHBondContact O-N 3.5Å
36C91.8Very high87.2Confident12 Ų1270 Ų708%0.08139%0.394CS..EExtended strand (participates in β ladder)trans-142.5127.2175.4-177.60000107.5E20 L24 C49 F50E20-C36 HydrophobicContact CG-CB 4.47Å; L24-C36 HydrophobicContact CD1-CB 3.84Å; C36-C49 PolarHBondContact SG-SG 3.42Å; C36-F50 CarbonylContact C-O 3.57Å; C36-F50 WeakPolarHBondContact CA-O 3.39Å
37K91Very high87.3Confident121 Ų12169 Ų6953%0.52639%0.389SS..EExtended strand (participates in β ladder)trans-134.1112.6-179.8-172.7180-171.9-171.30109.6I39 C49 F50K37-I39 HydrophobicContact CD-CD1 4.19Å; K37-I39 HydrophobicContact CG-CD1 4.24Å; K37-C49 CarbonylContact O-C 3.55Å; K37-C49 VanDerWaalsContact O-CA 3.29Å; K37-C49 WeakPolarHBondContact O-CA 3.23Å; K37-C49 PolarHBondContact O-SG 3.01Å; K37-C49 VanDerWaalsContact O-SG 3.33Å; K37-F50 PolarHBondContact N-O 3.38Å; K37-F50 PolarHBondContact O-N 3.12Å
38M91.6Very high87.4Confident40 Ų4072.3 Ų72.320%0.19740%0.402CS..EExtended strand (participates in β ladder)trans-87.6133.1172.7-168.3174.2-177.800110.6L14 V18 E20 P47L14-M38 HydrophobicContact CD1-CE 4.48Å; V18-M38 WeakPolarHBondContact O-CE 3.4Å; E20-M38 HydrophobicContact CB-CB 3.89Å; E20-M38 HydrophobicContact CB-SD 4.39Å; E20-M38 HydrophobicContact CG-CB 4.14Å; E20-M38 PolarHBondContact N-SD 3.3Å; E20-M38 PolarHBondContact OE2-N 2.97Å; M38-P47 HydrophobicContact CE-CB 3.76Å
39I89.5Confident87.5Confident48 Ų4869.5 Ų69.525%0.24638%0.382CS..EExtended strand (participates in β ladder)trans-116.2118.1170.9-54.8-66.5000107.8K37 Y48K37-I39 HydrophobicContact CD-CD1 4.19Å; K37-I39 HydrophobicContact CG-CD1 4.24Å; I39-Y48 HydrophobicContact CB-CD2 4.07Å; I39-Y48 HydrophobicContact CB-CE1 4.12Å; I39-Y48 HydrophobicContact CB-CE2 3.6Å; I39-Y48 HydrophobicContact CG1-CD2 4.37Å; I39-Y48 HydrophobicContact CG1-CE2 3.73Å; I39-Y48 HydrophobicContact CG2-CE1 3.94Å; I39-Y48 HydrophobicContact CG2-CE2 4.06Å; I39-Y48 WeakPolarHBondContact CG2-OH 3.35Å; I39-Y48 PolarHBondContact N-O 3.12Å; I39-Y48 PolarHBondContact O-N 3.14Å; I39-Y48 VanDerWaalsContact O-O 3.07Å
40M87.3Confident87.7Confident156 Ų15666.3 Ų66.377%0.76837%0.366SS*.  trans-102.3122.2169.755.8-173.3177.400108
41D79.2Confident88Confident53 Ų5364.1 Ų64.128%0.28336%0.355SS..  trans-85.2128.5175.6-169.6-4.3000110.1A43 N45D41-A43 PolarHBondContact O-N 2.86Å; D41-A43 VanDerWaalsContact OD1-CB 3.3Å; D41-A43 WeakPolarHBondContact OD1-CB 3.41Å; D41-A43 PolarHBondContact OD1-N 2.95Å; D41-N45 HydrophobicContact CB-CB 3.93Å; D41-N45 WeakPolarHBondContact OD2-CB 3.47Å; D41-N45 PolarHBondContact OD2-ND2 3.31Å
42T75.2Confident88.2Confident145 Ų14565.6 Ų65.689%0.8936%0.36SS*.THydrogen-bonded Turntrans-71.8-19.6173.545.70000112.7G44T42-G44 PolarHBondContact O-N 2.86Å
43A77Confident88.4Confident80 Ų8062.1 Ų62.166%0.66134%0.337SS*.THydrogen-bonded Turntrans-80.56.4-175.500000114.8D41D41-A43 PolarHBondContact O-N 2.86Å; D41-A43 VanDerWaalsContact OD1-CB 3.3Å; D41-A43 WeakPolarHBondContact OD1-CB 3.41Å; D41-A43 PolarHBondContact OD1-N 2.95Å
44G76.1Confident88.3Confident46 Ų4666.3 Ų66.347%0.47435%0.354SS..SBendtrans101-9.5177.200000115T42T42-G44 PolarHBondContact O-N 2.86Å
45N84.9Confident88.2Confident97 Ų9764.9 Ų64.952%0.51935%0.349SS..PPolyproline II helixtrans-68.1155.7179.1-67.2-54.5000112.4D41D41-N45 HydrophobicContact CB-CB 3.93Å; D41-N45 WeakPolarHBondContact OD2-CB 3.47Å; D41-N45 PolarHBondContact OD2-ND2 3.31Å
46D87.7Confident88.2Confident84 Ų8463 Ų6345%0.44934%0.338SS..PPolyproline II helixtrans-63.1131.6175.8-72-52.7000110.6K74D46-K74 IonicContact OD1-NZ 2.61Å; D46-K74 PolarHBondContact OD1-NZ 3.49Å; D46-K74 IonicContact OD2-NZ 3.48Å; D46-K74 PolarHBondContact OD2-NZ 3.48Å
47P91.3Very high88.2Confident6 Ų670.5 Ų70.54%0.03936%0.364CS..PPolyproline II helixtrans-56.8149.5174.1-20.428.9000111.9L14 R16 M38L14-P47 HydrophobicContact CB-CB 4.26Å; L14-P47 WeakPolarHBondContact CB-O 3.23Å; L14-P47 PolarHBondContact N-O 3.33Å; L14-P47 WeakPolarHBondContact O-CD 3.14Å; R16-P47 HydrophobicContact CG-CG 4.13Å; M38-P47 HydrophobicContact CE-CB 3.76Å
48Y92.2Very high88.2Confident70 Ų7066.2 Ų66.228%0.27535%0.346SS..EExtended strand (participates in β ladder)trans-139.9162.2176.360.6-89.8000111.2Y10 V11 I39 F50Y10-Y48 HydrophobicContact CD2-CD2 4.28Å; Y10-Y48 AromaticContact CE2-CD2 3.62Å; Y10-Y48 HydrophobicContact CE2-CD2 3.62Å; Y10-Y48 HydrophobicContact CE2-CE2 4.44Å; Y10-Y48 AromaticContact CE2-CG 3.74Å; Y10-Y48 HydrophobicContact CE2-CG 3.74Å; V11-Y48 CarbonylContact O-C 3.57Å; V11-Y48 WeakPolarHBondContact O-CA 3.49Å; V11-Y48 WeakPolarHBondContact O-CB 3.41Å; I39-Y48 HydrophobicContact CB-CD2 4.07Å; I39-Y48 HydrophobicContact CB-CE1 4.12Å; I39-Y48 HydrophobicContact CB-CE2 3.6Å; I39-Y48 HydrophobicContact CG1-CD2 4.37Å; I39-Y48 HydrophobicContact CG1-CE2 3.73Å; I39-Y48 HydrophobicContact CG2-CE1 3.94Å; I39-Y48 HydrophobicContact CG2-CE2 4.06Å; I39-Y48 WeakPolarHBondContact CG2-OH 3.35Å; I39-Y48 PolarHBondContact N-O 3.12Å; I39-Y48 PolarHBondContact O-N 3.14Å; I39-Y48 VanDerWaalsContact O-O 3.07Å; Y48-F50 HydrophobicContact CD2-CD2 4.46Å; Y48-F50 AromaticContact CD2-CE2 3.94Å; Y48-F50 HydrophobicContact CD2-CE2 3.94Å; Y48-F50 HydrophobicContact CD2-CZ 4.4Å; Y48-F50 HydrophobicContact CE2-CD2 4.43Å; Y48-F50 AromaticContact CE2-CE2 3.64Å; Y48-F50 HydrophobicContact CE2-CE2 3.64Å; Y48-F50 HydrophobicContact CE2-CZ 4.22Å
49C93.6Very high88.2Confident0 Ų064.3 Ų64.30%034%0.337CS..EExtended strand (participates in β ladder)trans-138.3145.1-176.2-176.50000110.9V11 L14 I23 C36 K37V11-C49 HydrophobicContact CB-CB 4.27Å; V11-C49 PolarHBondContact N-O 3.24Å; V11-C49 PolarHBondContact O-N 3.47Å; L14-C49 HydrophobicContact CD1-CB 3.89Å; I23-C49 HydrophobicContact CG2-CB 4.5Å; C36-C49 PolarHBondContact SG-SG 3.42Å; K37-C49 CarbonylContact O-C 3.55Å; K37-C49 VanDerWaalsContact O-CA 3.29Å; K37-C49 WeakPolarHBondContact O-CA 3.23Å; K37-C49 PolarHBondContact O-SG 3.01Å; K37-C49 VanDerWaalsContact O-SG 3.33Å
50F94.5Very high88.2Confident73 Ų7363.7 Ų63.732%0.3234%0.338SS..EExtended strand (participates in β ladder)trans-107.1125.2168.4-67.1-78.7000109.8L9 Y10 C36 K37 Y48 A81L9-F50 WeakPolarHBondContact O-CA 3.37Å; Y10-F50 HydrophobicContact CD2-CD1 4.36Å; Y10-F50 AromaticContact CD2-CE1 3.71Å; Y10-F50 HydrophobicContact CD2-CE1 3.71Å; Y10-F50 AromaticContact CD2-CZ 3.92Å; Y10-F50 HydrophobicContact CD2-CZ 3.92Å; Y10-F50 HydrophobicContact CG-CE1 4.43Å; C36-F50 CarbonylContact C-O 3.57Å; C36-F50 WeakPolarHBondContact CA-O 3.39Å; K37-F50 PolarHBondContact N-O 3.38Å; K37-F50 PolarHBondContact O-N 3.12Å; Y48-F50 HydrophobicContact CD2-CD2 4.46Å; Y48-F50 AromaticContact CD2-CE2 3.94Å; Y48-F50 HydrophobicContact CD2-CE2 3.94Å; Y48-F50 HydrophobicContact CD2-CZ 4.4Å; Y48-F50 HydrophobicContact CE2-CD2 4.43Å; Y48-F50 AromaticContact CE2-CE2 3.64Å; Y48-F50 HydrophobicContact CE2-CE2 3.64Å; Y48-F50 HydrophobicContact CE2-CZ 4.22Å; F50-A81 HydrophobicContact CD1-CB 3.98Å; F50-A81 HydrophobicContact CE1-CB 4.14Å
51V94.7Very high88.3Confident0 Ų058.4 Ų58.40%032%0.32CS..EExtended strand (participates in β ladder)trans-118.9118.3178.5-175.20000108.7T8 L9 V11 I23 F27 C33 F53T8-V51 CarbonylContact C-O 3.55Å; T8-V51 WeakPolarHBondContact CA-O 3.28Å; L9-V51 PolarHBondContact N-O 2.94Å; L9-V51 PolarHBondContact O-N 3.34Å; V11-V51 HydrophobicContact CG2-CG2 4.13Å; I23-V51 HydrophobicContact CG2-CG2 3.76Å; F27-V51 HydrophobicContact CB-CG1 4.14Å; F27-V51 HydrophobicContact CD1-CB 4.36Å; F27-V51 HydrophobicContact CD1-CG1 4.07Å; F27-V51 HydrophobicContact CD1-CG2 4.37Å; F27-V51 HydrophobicContact CG-CG1 4.22Å; F27-V51 HydrophobicContact CG-CG2 4.38Å; C33-V51 HydrophobicContact CB-CG1 4.47Å; V51-F53 HydrophobicContact CG1-CD2 4.24Å; V51-F53 HydrophobicContact CG1-CE2 3.77Å; V51-F53 HydrophobicContact CG1-CZ 4.27Å
52E93.3Very high88.9Confident41 Ų4155.9 Ų55.919%0.19231%0.306CS..EExtended strand (participates in β ladder)trans-101.2131.2174.2-172.2-177.1177.800109.5T8 C33 K34 N35T8-E52 HydrophobicContact CG2-CB 4.44Å; C33-E52 CarbonylContact C-O 3.55Å; K34-E52 HydrophobicContact CB-CB 4.5Å; K34-E52 HydrophobicContact CB-CG 4.29Å; K34-E52 HydrophobicContact CD-CG 4.27Å; K34-E52 WeakPolarHBondContact CD-OE1 3.13Å; K34-E52 WeakPolarHBondContact CE-OE1 3.3Å; K34-E52 PolarHBondContact N-O 3.44Å; K34-E52 IonicContact NZ-OE1 2.74Å; K34-E52 PolarHBondContact NZ-OE1 3.27Å; K34-E52 IonicContact NZ-OE2 3.85Å; N35-E52 HydrophobicContact CB-CB 3.98Å; N35-E52 PolarHBondContact N-O 2.84Å; N35-E52 PolarHBondContact O-N 3.5Å
53F93.1Very high89.6Confident0 Ų050.7 Ų50.70%027%0.273CS..EExtended strand (participates in β ladder)trans-100.3158.1173.8-75.9-92.7000111.8K7 L9 F27 G31 P32 V51 E55 H58 A59 A62K7-F53 PolarHBondContact O-N 3.47Å; L9-F53 HydrophobicContact CD1-CD2 4.48Å; L9-F53 HydrophobicContact CD1-CE2 3.95Å; F27-F53 HydrophobicContact CB-CZ 3.88Å; F27-F53 AromaticContact CD1-CE2 3.84Å; F27-F53 HydrophobicContact CD1-CE2 3.84Å; F27-F53 AromaticContact CD1-CZ 3.75Å; F27-F53 HydrophobicContact CD1-CZ 3.75Å; F27-F53 HydrophobicContact CG-CZ 4.32Å; G31-F53 WeakPolarHBondContact O-CE1 3.42Å; P32-F53 WeakPolarHBondContact O-CD1 3.49Å; V51-F53 HydrophobicContact CG1-CD2 4.24Å; V51-F53 HydrophobicContact CG1-CE2 3.77Å; V51-F53 HydrophobicContact CG1-CZ 4.27Å; F53-E55 VanDerWaalsContact C-N 3.33Å; F53-H58 HydrophobicContact CB-CB 4.42Å; F53-H58 HydrophobicContact CD1-CB 3.62Å; F53-H58 HydrophobicContact CE1-CB 4.12Å; F53-H58 HydrophobicContact CG-CB 4.18Å; F53-A59 HydrophobicContact CB-CB 4.18Å; F53-A59 HydrophobicContact CD2-CB 3.78Å; F53-A59 HydrophobicContact CG-CB 4.2Å; F53-A62 HydrophobicContact CE2-CB 3.84Å; F53-A62 HydrophobicContact CZ-CB 3.63Å
54H91.1Very high90.2Very high111 Ų11150.8 Ų50.851%0.51427%0.274SS..SBendtrans-66.9-34.8170-77.5-92.6000112.6P32P32-H54 HydrophobicContact CG-CB 4.36Å; P32-H54 PolarHBondContact O-CD2 3.19Å; P32-H54 PolarHBondContact O-N 2.85Å
55E88.6Confident90.7Very high90 Ų9051.4 Ų51.442%0.42127%0.274SS..SBendtrans-126.7141.9-178-58.2-166.585.800111.9F53 R57 H58 A59F53-E55 VanDerWaalsContact C-N 3.33Å; E55-R57 VanDerWaalsContact C-N 3.28Å; E55-R57 PolarHBondContact O-N 3.16Å; E55-R57 IonicContact OE2-NH2 3.41Å; E55-R57 PolarHBondContact OE2-NH2 3.15Å; E55-H58 PolarHBondContact O-N 3.34Å; E55-H58 IonicContact OE2-CE1 2.93Å; E55-H58 PolarHBondContact OE2-CE1 3.47Å; E55-H58 IonicContact OE2-ND1 3.5Å; E55-H58 IonicContact OE2-NE2 3.83Å; E55-A59 PolarHBondContact O-N 3.14Å
56H88.9Confident91Very high51 Ų5146.9 Ų46.924%0.23625%0.25CS..Hα-helixtrans-59.9-38.2176.9173.470.9000112.4M5 P6 K7 H58 A59 A60 W80M5-H56 HydrophobicContact CB-CB 3.82Å; M5-H56 HydrophobicContact SD-CB 4.48Å; M5-H56 PolarHBondContact SD-CD2 3.36Å; P6-H56 PolarHBondContact O-ND1 3.46Å; K7-H56 HydrophobicContact CG-CB 4.25Å; H56-H58 VanDerWaalsContact C-N 3.26Å; H56-H58 PolarHBondContact O-N 3.41Å; H56-A59 WeakPolarHBondContact O-CB 3.49Å; H56-A59 PolarHBondContact O-N 2.84Å; H56-A60 PolarHBondContact O-N 3.35Å; H56-W80 AromaticContact CE1-CH2 3.27Å; H56-W80 WeakPolarHBondContact CE1-CH2 3.37Å; H56-W80 AromaticContact CE1-CZ2 3.71Å; H56-W80 AromaticContact CE1-CZ3 3.9Å; H56-W80 AromaticContact ND1-CH2 3.64Å; H56-W80 AromaticContact ND1-CZ3 3.9Å
57R90.7Very high91.2Very high168 Ų16846.8 Ų46.863%0.63425%0.25SC*.Hα-helixtrans-55.3-41.7178.7-178.6-178.761.5176.8-7.2112.2E55 A61E55-R57 VanDerWaalsContact C-N 3.28Å; E55-R57 PolarHBondContact O-N 3.16Å; E55-R57 IonicContact OE2-NH2 3.41Å; E55-R57 PolarHBondContact OE2-NH2 3.15Å; R57-A61 WeakPolarHBondContact O-CB 2.97Å; R57-A61 PolarHBondContact O-N 3.12Å
58H91.9Very high91Very high32 Ų3248.5 Ų48.515%0.14827%0.268CS..Hα-helixtrans-70.2-39.7177.8-60.9132.6000111.6I30 F53 E55 H56 A61 A62I30-H58 PolarHBondContact O-CD2 3.48Å; F53-H58 HydrophobicContact CB-CB 4.42Å; F53-H58 HydrophobicContact CD1-CB 3.62Å; F53-H58 HydrophobicContact CE1-CB 4.12Å; F53-H58 HydrophobicContact CG-CB 4.18Å; E55-H58 PolarHBondContact O-N 3.34Å; E55-H58 IonicContact OE2-CE1 2.93Å; E55-H58 PolarHBondContact OE2-CE1 3.47Å; E55-H58 IonicContact OE2-ND1 3.5Å; E55-H58 IonicContact OE2-NE2 3.83Å; H56-H58 VanDerWaalsContact C-N 3.26Å; H56-H58 PolarHBondContact O-N 3.41Å; H58-A61 PolarHBondContact O-N 3.13Å; H58-A62 VanDerWaalsContact O-CB 3.29Å; H58-A62 WeakPolarHBondContact O-CB 3.23Å; H58-A62 PolarHBondContact O-N 3.33Å
59A90.4Very high90.7Very high0 Ų051.3 Ų51.30%028%0.278CS..Hα-helixtrans-62.3-43.9174.600000111.9L9 F53 E55 H56 A61 A62 L63 W80L9-A59 HydrophobicContact CD1-CB 4.45Å; L9-A59 WeakPolarHBondContact CD1-O 3.49Å; L9-A59 HydrophobicContact CD2-CB 4.37Å; L9-A59 HydrophobicContact CG-CB 4.28Å; F53-A59 HydrophobicContact CB-CB 4.18Å; F53-A59 HydrophobicContact CD2-CB 3.78Å; F53-A59 HydrophobicContact CG-CB 4.2Å; E55-A59 PolarHBondContact O-N 3.14Å; H56-A59 WeakPolarHBondContact O-CB 3.49Å; H56-A59 PolarHBondContact O-N 2.84Å; A59-A61 PolarHBondContact O-N 3.18Å; A59-A62 PolarHBondContact O-N 3.5Å; A59-L63 PolarHBondContact O-N 3.38Å; A59-W80 HydrophobicContact CB-CH2 4.12Å; A59-W80 HydrophobicContact CB-CZ3 3.73Å
60A90.1Very high90.5Very high34 Ų3458.1 Ų58.128%0.28131%0.308SS..Hα-helixtrans-63.5-43.6177.900000111.8H56 A62 L63 A64 W80H56-A60 PolarHBondContact O-N 3.35Å; A60-A62 VanDerWaalsContact C-N 3.33Å; A60-A62 PolarHBondContact O-N 3.25Å; A60-L63 PolarHBondContact O-N 2.9Å; A60-A64 PolarHBondContact O-N 3.09Å; A60-A64 VanDerWaalsContact O-N 3.11Å; A60-W80 HydrophobicContact CB-CH2 3.84Å; A60-W80 HydrophobicContact CB-CZ2 4.08Å
61A89.8Confident90.2Very high46 Ų4655.3 Ų55.338%0.3830%0.296SS..Hα-helixtrans-62.3-41.1174.400000111.7I30 R57 H58 A59 A64 A65I30-A61 HydrophobicContact CG2-CB 3.71Å; R57-A61 WeakPolarHBondContact O-CB 2.97Å; R57-A61 PolarHBondContact O-N 3.12Å; H58-A61 PolarHBondContact O-N 3.13Å; A59-A61 PolarHBondContact O-N 3.18Å; A61-A64 PolarHBondContact O-N 3.3Å; A61-A65 VanDerWaalsContact O-CB 3.26Å; A61-A65 WeakPolarHBondContact O-CB 3.49Å; A61-A65 PolarHBondContact O-N 3.02Å
62A91.2Very high89.7Confident0 Ų061 Ų610%032%0.324CS..Hα-helixtrans-66.6-41178.900000112.7L9 F27 I30 F53 H58 A59 A60 A65 M66L9-A62 HydrophobicContact CD1-CB 3.87Å; F27-A62 HydrophobicContact CD1-CB 3.9Å; F27-A62 HydrophobicContact CE1-CB 4.13Å; I30-A62 HydrophobicContact CB-CB 4.39Å; I30-A62 HydrophobicContact CD1-CB 3.84Å; I30-A62 HydrophobicContact CG2-CB 4.11Å; F53-A62 HydrophobicContact CE2-CB 3.84Å; F53-A62 HydrophobicContact CZ-CB 3.63Å; H58-A62 VanDerWaalsContact O-CB 3.29Å; H58-A62 WeakPolarHBondContact O-CB 3.23Å; H58-A62 PolarHBondContact O-N 3.33Å; A59-A62 PolarHBondContact O-N 3.5Å; A60-A62 VanDerWaalsContact C-N 3.33Å; A60-A62 PolarHBondContact O-N 3.25Å; A62-A65 PolarHBondContact O-N 2.67Å; A62-M66 VanDerWaalsContact O-CB 3.26Å; A62-M66 WeakPolarHBondContact O-CB 3.25Å; A62-M66 WeakPolarHBondContact O-CG 3.3Å; A62-M66 PolarHBondContact O-N 3.22Å
63L90.7Very high89.4Confident36 Ų3662.4 Ų62.419%0.18835%0.349CS..Hα-helixtrans-58.5-49.4173.4-175.6149.5000110.9L9 A59 A60 A65 N67 V78 W80L9-L63 HydrophobicContact CD1-CB 4.36Å; L9-L63 HydrophobicContact CD2-CB 4.1Å; L9-L63 HydrophobicContact CD2-CD1 3.99Å; A59-L63 PolarHBondContact O-N 3.38Å; A60-L63 PolarHBondContact O-N 2.9Å; L63-A65 PolarHBondContact O-N 3.04Å; L63-N67 WeakPolarHBondContact O-CB 3.31Å; L63-N67 PolarHBondContact O-N 3.33Å; L63-N67 VanDerWaalsContact O-N 3.13Å; L63-V78 HydrophobicContact CB-CG1 4.24Å; L63-V78 HydrophobicContact CG-CG1 4.26Å; L63-W80 HydrophobicContact CD1-CD2 3.92Å; L63-W80 HydrophobicContact CD1-CG 4.1Å; L63-W80 HydrophobicContact CD1-CZ2 4.24Å
64A89.3Confident89.2Confident82 Ų8265.1 Ų65.168%0.67836%0.361SS*.Hα-helixtrans-66.2-35.1-179.400000113.4A60 A61A60-A64 PolarHBondContact O-N 3.09Å; A60-A64 VanDerWaalsContact O-N 3.11Å; A61-A64 PolarHBondContact O-N 3.3Å
65A86.6Confident89.2Confident59 Ų5964.9 Ų64.949%0.48836%0.36SS..Hα-helixtrans-83.4-33.5-175.800000113.8I30 A61 A62 L63I30-A65 HydrophobicContact CD1-CB 3.78Å; A61-A65 VanDerWaalsContact O-CB 3.26Å; A61-A65 WeakPolarHBondContact O-CB 3.49Å; A61-A65 PolarHBondContact O-N 3.02Å; A62-A65 PolarHBondContact O-N 2.67Å; L63-A65 PolarHBondContact O-N 3.04Å
66M90.8Very high89.5Confident2 Ų260.6 Ų60.61%0.0134%0.34CS..Hα-helixtrans-102.3-22.7-171-63.1-62.5-71.200113.3L26 F27 I30 A62 G68 R69 I71 V76 V78L26-M66 HydrophobicContact CB-CE 3.84Å; L26-M66 HydrophobicContact CD1-CE 4.1Å; L26-M66 HydrophobicContact CG-CE 4.43Å; F27-M66 HydrophobicContact CE1-CB 4.49Å; F27-M66 HydrophobicContact CE1-CG 4.43Å; F27-M66 HydrophobicContact CE2-CE 4.15Å; F27-M66 HydrophobicContact CE2-CG 4.41Å; F27-M66 HydrophobicContact CZ-CB 4.07Å; F27-M66 HydrophobicContact CZ-CG 4.21Å; I30-M66 HydrophobicContact CD1-CG 4.04Å; A62-M66 VanDerWaalsContact O-CB 3.26Å; A62-M66 WeakPolarHBondContact O-CB 3.25Å; A62-M66 WeakPolarHBondContact O-CG 3.3Å; A62-M66 PolarHBondContact O-N 3.22Å; M66-G68 PolarHBondContact O-N 2.94Å; M66-R69 VanDerWaalsContact O-CB 3.23Å; M66-R69 WeakPolarHBondContact O-CB 3.38Å; M66-R69 PolarHBondContact O-N 3.48Å; M66-I71 HydrophobicContact CE-CD1 3.89Å; M66-V76 WeakPolarHBondContact O-CG2 3.5Å; M66-V78 HydrophobicContact CB-CG2 4.01Å
67N91.9Very high89.6Confident82 Ų8264.3 Ų64.344%0.43936%0.356SS..THydrogen-bonded Turntrans-62.6127.4177.8-170.332.9000111.6L63 R69 V78L63-N67 WeakPolarHBondContact O-CB 3.31Å; L63-N67 PolarHBondContact O-N 3.33Å; L63-N67 VanDerWaalsContact O-N 3.13Å; N67-R69 VanDerWaalsContact C-N 3.28Å; N67-R69 PolarHBondContact O-N 3.44Å; N67-V78 HydrophobicContact CB-CB 4.01Å; N67-V78 HydrophobicContact CB-CG2 4.4Å; N67-V78 PolarHBondContact OD1-N 2.86Å
68G87.3Confident89.8Confident41 Ų4156.4 Ų56.442%0.42333%0.326SS..THydrogen-bonded Turntrans77.36.9-176.400000114.4M66 V76M66-G68 PolarHBondContact O-N 2.94Å; G68-V76 WeakPolarHBondContact CA-O 3.26Å; G68-V76 PolarHBondContact N-O 3.48Å
69R86.9Confident89.8Confident129 Ų12958.9 Ų58.949%0.48734%0.34SS..  trans-77.5138177.1-165.7172.3-173.6178.11.8110.6M66 N67 I71 E75 V76M66-R69 VanDerWaalsContact O-CB 3.23Å; M66-R69 WeakPolarHBondContact O-CB 3.38Å; M66-R69 PolarHBondContact O-N 3.48Å; N67-R69 VanDerWaalsContact C-N 3.28Å; N67-R69 PolarHBondContact O-N 3.44Å; R69-I71 PolarHBondContact O-N 2.82Å; R69-E75 WeakPolarHBondContact O-CA 3.44Å; R69-V76 HydrophobicContact CB-CG2 4.43Å; R69-V76 WeakPolarHBondContact O-CG2 3.46Å; R69-V76 PolarHBondContact O-N 3.13Å
70K88.6Confident89.9Confident144 Ų14463.7 Ų63.763%0.62636%0.358SS*.EExtended strand (participates in β ladder)trans-77.1120.6172.2-72.8-174.4178.8-176.30110.9K74 E75K70-K74 CarbonylContact C-O 3.44Å; K70-K74 VanDerWaalsContact CA-O 3.31Å; K70-K74 WeakPolarHBondContact CA-O 3.24Å; K70-E75 HydrophobicContact CD-CG 4.2Å; K70-E75 HydrophobicContact CG-CG 3.46Å; K70-E75 VanDerWaalsContact CG-CG 3.46Å
71I87.9Confident90Very high14 Ų1462.5 Ų62.57%0.07235%0.349CS..EExtended strand (participates in β ladder)trans-124.6121.7172.8-56.7-177.9000107.1V18 L22 L26 M66 R69 G73 K74 V76V18-I71 HydrophobicContact CG2-CG2 3.84Å; L22-I71 HydrophobicContact CD2-CG2 4.18Å; L26-I71 HydrophobicContact CD1-CD1 3.65Å; L26-I71 HydrophobicContact CD1-CG1 4.43Å; M66-I71 HydrophobicContact CE-CD1 3.89Å; R69-I71 PolarHBondContact O-N 2.82Å; I71-G73 PolarHBondContact O-N 3.33Å; I71-K74 PolarHBondContact N-O 3.07Å; I71-K74 PolarHBondContact O-N 2.96Å; I71-K74 VanDerWaalsContact O-N 3.09Å; I71-V76 HydrophobicContact CB-CG1 3.96Å; I71-V76 HydrophobicContact CD1-CG1 3.71Å; I71-V76 HydrophobicContact CD1-CG2 4.15Å; I71-V76 HydrophobicContact CG1-CG1 3.87Å
72M85.8Confident89.4Confident119 Ų11967 Ų6759%0.58637%0.372SS*.THydrogen-bonded Turntrans49.741.9-177.3-58.4-55.9177.900113.2V18 L22 K74V18-M72 HydrophobicContact CG2-CB 4.23Å; V18-M72 HydrophobicContact CG2-CG 4.03Å; L22-M72 HydrophobicContact CD2-CE 3.93Å; M72-K74 VanDerWaalsContact C-N 3.3Å; M72-K74 PolarHBondContact O-N 3.46Å
73G87.1Confident88.1Confident70 Ų7071.5 Ų71.572%0.72240%0.4SS*.THydrogen-bonded Turntrans82.7-10.5177.400000116I71I71-G73 PolarHBondContact O-N 3.33Å
74K88Confident86.4Confident58 Ų5875.7 Ų75.725%0.25243%0.429SS..EExtended strand (participates in β ladder)trans-106.3141.7176.1-57.3-165.799.6-150.70112.1N13 D46 K70 I71 M72 V76N13-K74 PolarHBondContact OD1-NZ 3.27Å; D46-K74 IonicContact OD1-NZ 2.61Å; D46-K74 PolarHBondContact OD1-NZ 3.49Å; D46-K74 IonicContact OD2-NZ 3.48Å; D46-K74 PolarHBondContact OD2-NZ 3.48Å; K70-K74 CarbonylContact C-O 3.44Å; K70-K74 VanDerWaalsContact CA-O 3.31Å; K70-K74 WeakPolarHBondContact CA-O 3.24Å; I71-K74 PolarHBondContact N-O 3.07Å; I71-K74 PolarHBondContact O-N 2.96Å; I71-K74 VanDerWaalsContact O-N 3.09Å; M72-K74 VanDerWaalsContact C-N 3.3Å; M72-K74 PolarHBondContact O-N 3.46Å; K74-V76 PolarHBondContact O-N 3.21Å
75E91.9Very high84.5Confident105 Ų10577 Ų7749%0.49143%0.433SS..EExtended strand (participates in β ladder)trans-80.8114.3174.8-71.7179.1100.300110.7N13 R69 K70N13-E75 PolarHBondContact ND2-O 2.73Å; R69-E75 WeakPolarHBondContact O-CA 3.44Å; K70-E75 HydrophobicContact CD-CG 4.2Å; K70-E75 HydrophobicContact CG-CG 3.46Å; K70-E75 VanDerWaalsContact CG-CG 3.46Å
76V92.9Very high82.5Confident1 Ų180.1 Ų80.11%0.00645%0.451CS..  trans-76.2144.3-178.2-54.10000111.4V11 L14 M66 G68 R69 I71 K74 V78V11-V76 HydrophobicContact CG1-CB 4.42Å; L14-V76 HydrophobicContact CD2-CB 4.27Å; L14-V76 HydrophobicContact CD2-CG1 3.59Å; M66-V76 WeakPolarHBondContact O-CG2 3.5Å; G68-V76 WeakPolarHBondContact CA-O 3.26Å; G68-V76 PolarHBondContact N-O 3.48Å; R69-V76 HydrophobicContact CB-CG2 4.43Å; R69-V76 WeakPolarHBondContact O-CG2 3.46Å; R69-V76 PolarHBondContact O-N 3.13Å; I71-V76 HydrophobicContact CB-CG1 3.96Å; I71-V76 HydrophobicContact CD1-CG1 3.71Å; I71-V76 HydrophobicContact CD1-CG2 4.15Å; I71-V76 HydrophobicContact CG1-CG1 3.87Å; K74-V76 PolarHBondContact O-N 3.21Å; V76-V78 HydrophobicContact CG2-CG2 4.29Å
77K92.1Very high80.2Confident129 Ų12988.8 Ų88.856%0.56149%0.492SS*.EExtended strand (participates in β ladder)trans-109.2117.4176.5-68.3-176.2179177.60109.2V11 G12 N13V11-K77 CarbonylContact C-O 3.54Å; V11-K77 WeakPolarHBondContact CA-O 3.25Å; G12-K77 PolarHBondContact N-O 2.61Å; G12-K77 PolarHBondContact O-N 2.91Å; N13-K77 HydrophobicContact CB-CG 4.44Å
78V93.8Very high78.1Confident1 Ų194.3 Ų94.31%0.00651%0.512CS..EExtended strand (participates in β ladder)trans-111.1125.5179.9-170.70000109.5L9 Y10 V11 F27 L63 M66 N67 V76L9-V78 HydrophobicContact CB-CG1 4.07Å; L9-V78 HydrophobicContact CD1-CG1 3.89Å; L9-V78 HydrophobicContact CD2-CG1 4.45Å; L9-V78 HydrophobicContact CG-CG1 4.38Å; Y10-V78 CarbonylContact O-C 3.55Å; Y10-V78 VanDerWaalsContact O-CA 3.3Å; Y10-V78 WeakPolarHBondContact O-CA 3.41Å; V11-V78 HydrophobicContact CG1-CG2 4.29Å; V11-V78 HydrophobicContact CG2-CG1 4.46Å; V11-V78 HydrophobicContact CG2-CG2 4.46Å; F27-V78 HydrophobicContact CZ-CG2 4.24Å; L63-V78 HydrophobicContact CB-CG1 4.24Å; L63-V78 HydrophobicContact CG-CG1 4.26Å; M66-V78 HydrophobicContact CB-CG2 4.01Å; N67-V78 HydrophobicContact CB-CB 4.01Å; N67-V78 HydrophobicContact CB-CG2 4.4Å; N67-V78 PolarHBondContact OD1-N 2.86Å; V76-V78 HydrophobicContact CG2-CG2 4.29Å
79N93.4Very high75.6Confident85 Ų85100.8 Ų100.846%0.45553%0.528SS..EExtended strand (participates in β ladder)trans-135.5162179-67.6-77.9000110.5L9 Y10 A81L9-N79 CarbonylContact C-O 3.57Å; L9-N79 WeakPolarHBondContact CA-O 3.26Å; Y10-N79 PolarHBondContact N-O 3.45Å; Y10-N79 PolarHBondContact O-N 3.04Å; N79-A81 PolarHBondContact O-N 3.41Å
80W93Very high73.3Confident100 Ų100100.9 Ų100.938%0.37954%0.539SS..EExtended strand (participates in β ladder)trans-62.4128.9168.1-63.6115.8000109.8P6 L9 H56 A59 A60 L63P6-W80 HydrophobicContact CB-CE3 3.92Å; P6-W80 HydrophobicContact CB-CZ3 4.46Å; P6-W80 HydrophobicContact CG-CB 4.44Å; P6-W80 HydrophobicContact CG-CD2 3.81Å; P6-W80 HydrophobicContact CG-CE3 3.61Å; P6-W80 HydrophobicContact CG-CG 4.18Å; P6-W80 HydrophobicContact CG-CZ3 4.11Å; P6-W80 WeakPolarHBondContact O-CZ3 3.47Å; L9-W80 HydrophobicContact CD2-CD2 4.14Å; L9-W80 HydrophobicContact CD2-CE3 3.41Å; L9-W80 VanDerWaalsContact CD2-CE3 3.41Å; L9-W80 HydrophobicContact CD2-CH2 4.32Å; L9-W80 HydrophobicContact CD2-CZ3 3.53Å; H56-W80 AromaticContact CE1-CH2 3.27Å; H56-W80 WeakPolarHBondContact CE1-CH2 3.37Å; H56-W80 AromaticContact CE1-CZ2 3.71Å; H56-W80 AromaticContact CE1-CZ3 3.9Å; H56-W80 AromaticContact ND1-CH2 3.64Å; H56-W80 AromaticContact ND1-CZ3 3.9Å; A59-W80 HydrophobicContact CB-CH2 4.12Å; A59-W80 HydrophobicContact CB-CZ3 3.73Å; A60-W80 HydrophobicContact CB-CH2 3.84Å; A60-W80 HydrophobicContact CB-CZ2 4.08Å; L63-W80 HydrophobicContact CD1-CD2 3.92Å; L63-W80 HydrophobicContact CD1-CG 4.1Å; L63-W80 HydrophobicContact CD1-CZ2 4.24Å
81A90.3Very high71.5Confident10 Ų10100.6 Ų100.68%0.08355%0.549CS..  trans-76.6127.6173.500000109T8 F50 N79 T83T8-A81 HydrophobicContact CG2-CB 3.64Å; T8-A81 WeakPolarHBondContact O-CB 3.42Å; T8-A81 PolarHBondContact O-N 3.44Å; F50-A81 HydrophobicContact CD1-CB 3.98Å; F50-A81 HydrophobicContact CE1-CB 4.14Å; N79-A81 PolarHBondContact O-N 3.41Å; A81-T83 PolarHBondContact O-N 2.93Å; A81-T83 VanDerWaalsContact O-N 3.11Å
82T79.1Confident69.1Low141 Ų141105.6 Ų105.687%0.86559%0.585SS**  trans-72.598.4163.224.20000107.8P84T82-P84 WeakPolarHBondContact O-CD 3.14Å
83T62.7Low67.2Low94 Ų94105.5 Ų105.558%0.57760%0.596SS**  trans-67121.2164.948.60000107.2A81 S85A81-T83 PolarHBondContact O-N 2.93Å; A81-T83 VanDerWaalsContact O-N 3.11Å; T83-S85 VanDerWaalsContact C-N 3.34Å; T83-S85 PolarHBondContact O-N 3.45Å
84P55.2Low64.6Low124 Ų124107.7 Ų107.781%0.80560%0.6SS**  trans-62106165.225.9-30.1000106.1T82 S86T82-P84 WeakPolarHBondContact O-CD 3.14Å; P84-S86 PolarHBondContact O-N 2.89Å
85S49.3Very low62.3Low108 Ų108111.2 Ų111.276%0.75563%0.627SS**  trans-48.5117.7175.846.40000108T83 Q87T83-S85 VanDerWaalsContact C-N 3.34Å; T83-S85 PolarHBondContact O-N 3.45Å; S85-Q87 PolarHBondContact O-N 3.27Å
86S45.2Very low59.4Low125 Ų125112.2 Ų112.287%0.87464%0.64SS**SBendtrans-16.494.5-173.3-67.40000116.1P84P84-S86 PolarHBondContact O-N 2.89Å
87Q41.8Very low56.9Low185 Ų185118.4 Ų118.486%0.86468%0.677SS**  trans-120.3110.3145.4-83-173.33.800108S85 K89S85-Q87 PolarHBondContact O-N 3.27Å; Q87-K89 PolarHBondContact O-N 3.21Å; Q87-K89 VanDerWaalsContact O-N 3.15Å
88K48.4Very low53.9Low197 Ų197117.3 Ų117.386%0.85769%0.686SS**  trans-58.1112.7163.5-58.2167.7-171.7-85.70106.8
89K34.9Very low51.5Low178 Ų178123.1 Ų123.177%0.77472%0.722SS**  160137.2128.6-97.3-179.8-88.6-173.30114.1Q87Q87-K89 PolarHBondContact O-N 3.21Å; Q87-K89 VanDerWaalsContact O-N 3.15Å
90D37.3Very low48.7Very low131 Ų131127.9 Ų127.970%0.70174%0.741SS**  trans60.3119.1142.9-51.7-41.3000119.9S92D90-S92 PolarHBondContact O-N 2.73Å
91T52.6Low46.4Very low138 Ų138134.4 Ų134.485%0.84777%0.766SS**  trans-22.2117.1152.419.20000114.2
92S37.3Very low43.6Very low118 Ų118139.4 Ų139.483%0.82580%0.8SS**  trans-168.9124.5138.7-78.70000110.1D90D90-S92 PolarHBondContact O-N 2.73Å
93S44.8Very low41.7Very low118 Ų118142 Ų14283%0.82580%0.803SS**  trans-44.7137.8167.5-40.90000112
94S33.5Very low40.2Very low115 Ų115144 Ų14480%0.80481%0.814SS**  trans-164112.5148.1-830000111.8
95T39.2Very low39.2Very low132 Ų132144.9 Ų144.981%0.8181%0.811SS**  trans-51.2124.1155.7-490000110.3
96V31.6Very low38.5Very low126 Ų126146.4 Ų146.476%0.76482%0.816SS**  trans-13899.7151.4-72.60000109.2
97V39.4Very low37.6Very low131 Ų131148 Ų14879%0.79481%0.809SS**  trans-68.9122154.1165.80000106.4
98S29.7Very low36.9Very low106 Ų106147.3 Ų147.374%0.74181%0.811SS**  trans-140.195.6164.940.40000110.6Q100S98-Q100 PolarHBondContact O-N 2.81Å
99T42.4Very low36Very low123 Ų123145 Ų14576%0.75580%0.802SS**  trans-45.5124149.3-64.50000110.5
100Q35.4Very low35.9Very low185 Ų185145 Ų14586%0.86481%0.807SS**  trans-167.1127.2130.4-123.9163.2-13.900113.1S98S98-Q100 PolarHBondContact O-N 2.81Å
101R44.4Very low35.6Very low237 Ų237144.5 Ų144.589%0.89480%0.804SS**  trans-49.9134.5157.6-75.9176162132.1-5.3110
102S32.4Very low34.8Very low115 Ų115142.7 Ų142.780%0.80480%0.798SS**  trans-165.8107134.9-81.50000108.6
103Q37.8Very low34.7Very low197 Ų197145 Ų14592%0.92180%0.795SS**  trans-90.7122.2165.9-65.8-169.97.400107.4
104V32.9Very low34.3Very low136 Ų136147.7 Ų147.782%0.82479%0.792SS**  trans-12098160.9-179.80000107.3
105L33.8Very low34.5Very low141 Ų141149.9 Ų149.974%0.73879%0.794SS**  trans16.2110.6145.8-166.269.3000117.9
106V33Very low34.1Very low140 Ų140151.8 Ų151.885%0.84880%0.799SS**  trans-115.7125.9143.4-81.70000108.9L108V106-L108 PolarHBondContact O-N 2.87Å
107H27.7Very low34.1Very low160 Ų160149.5 Ų149.574%0.74180%0.801SS**  trans-53119.7-172.3-117.5106.6000113.3
108L27.3Very low33.9Very low170 Ų170149.9 Ų149.989%0.8980%0.803SS**  trans-92.4115.7155.5-82.5161000107.5V106V106-L108 PolarHBondContact O-N 2.87Å
109H29.8Very low34.4Very low148 Ų148152.8 Ų152.869%0.68581%0.807SS**  trans-98.8104.3164.3-161.8129.6000108
110M31.2Very low34.2Very low178 Ų178153 Ų15388%0.87781%0.814SS**  trans-133.6119.5149.8-71.9-167.386.600107.1
111D31.2Very low34Very low120 Ų120147.8 Ų147.864%0.64281%0.809SS**  trans-60.1138.1-174.9-160.2-84.4000111.1H113D111-H113 IonicContact OD1-CD2 3.38Å; D111-H113 PolarHBondContact OD1-CD2 3.42Å; D111-H113 IonicContact OD1-NE2 3.77Å
112S35.9Very low34.4Very low101 Ų101145.7 Ų145.771%0.70681%0.809SS**  trans-110.2119.3-169.3-162.10000108.5
113H34.6Very low35.1Very low166 Ų166145.3 Ų145.377%0.76980%0.804SS**  trans-128.6100.9158.4-83-75.2000111.9D111D111-H113 IonicContact OD1-CD2 3.38Å; D111-H113 PolarHBondContact OD1-CD2 3.42Å; D111-H113 IonicContact OD1-NE2 3.77Å
114K38.3Very low35.2Very low175 Ų175145.6 Ų145.676%0.76180%0.802SS**  trans74.9108.1139.7-133.2104.3169.5-1700116.9
115L36.5Very low35.7Very low161 Ų161146.6 Ų146.684%0.84380%0.802SS**  178.5134.591.5-86170.8000111.5
116N31.3Very low36.1Very low172 Ų172145.5 Ų145.592%0.9280%0.797SS**  trans-67.5138.9168.5-71.7-73.2000110.5
117G32.3Very low36.6Very low77 Ų77142.6 Ų142.679%0.79479%0.787SS**  trans175.2100.1170.900000111.2
118V35.1Very low37Very low139 Ų139143.9 Ų143.984%0.84279%0.791SS**  trans-80.7149.6178.992.20000110.1
119M39.5Very low37.6Very low168 Ų168142.1 Ų142.183%0.82878%0.778SS**  trans71.396.3160.2-62.5-103.7-80.700118.9
120S37.6Very low37.8Very low128 Ų128141.6 Ų141.690%0.89577%0.774SS**  156.3133.3119.855.40000111.4
121G32.4Very low38Very low74 Ų74137.8 Ų137.876%0.76376%0.761SS**  trans103.293.8163.600000116.8
122Q52.1Low38.5Very low193 Ų193136.7 Ų136.790%0.90276%0.758SS**  trans-54.2142.4134.5-65.6178.6-54.400107.1
123P47.4Very low38.9Very low107 Ų107138.9 Ų138.970%0.69576%0.755SS**  cis-144.315642.238.1-19.2000114.7
124K39.4Very low39Very low203 Ų203138.5 Ų138.588%0.88375%0.748SS**  trans175.764.2153.2-98.5161.2-166.2-1760111.8
125L43.3Very low39Very low157 Ų157137.1 Ų137.182%0.82274%0.742SS**SBendtrans-14239.4159.7-141.684.4000110.4
126L42.9Very low39.3Very low119 Ų119135.2 Ų135.262%0.62373%0.733SS**SBendtrans-122.42.2-179-103.8137.1000112.6K130L126-K130 WeakPolarHBondContact O-CD 3.47Å; L126-K130 WeakPolarHBondContact O-CG 3.43Å
127A42.8Very low40Very low79 Ų79131.9 Ų131.965%0.65371%0.714SS**SBendtrans-101-23.7-174.300000113.7
128F35.6Very low40.4Very low186 Ų186134.3 Ų134.382%0.81670%0.703SS**SBendtrans-90.4-33.7-177.9-145.1-98.6000113K130F128-K130 PolarHBondContact O-N 3.26Å
129E40.3Very low40.9Very low133 Ų133132 Ų13262%0.62169%0.685SS**Hα-helixtrans-76.8-18.6179.1-65.9-168.197.600114.3
130K34.1Very low41.2Very low137 Ų137128.8 Ų128.860%0.59667%0.671SS**Hα-helixtrans-73.4-32.9178.1-73.8-175.1-178.4-177.70112.3L126 F128 Y134L126-K130 WeakPolarHBondContact O-CD 3.47Å; L126-K130 WeakPolarHBondContact O-CG 3.43Å; F128-K130 PolarHBondContact O-N 3.26Å; K130-Y134 VanDerWaalsContact O-CB 3.25Å; K130-Y134 WeakPolarHBondContact O-CB 3.35Å; K130-Y134 PolarHBondContact O-N 3.06Å
131T35.7Very low41.5Very low99 Ų99127.5 Ų127.561%0.60765%0.651SS**Hα-helixtrans-70.9-35.6-175.9-56.50000112.4F135T131-F135 PolarHBondContact O-N 3.07Å; T131-F135 VanDerWaalsContact O-N 3.15Å
132V41.9Very low41.7Very low96 Ų96127.9 Ų127.958%0.58264%0.64SS**Hα-helixtrans-77.5-39.2-179.9-174.20000111.9Y134 F135 N136V132-Y134 VanDerWaalsContact C-N 3.35Å; V132-F135 PolarHBondContact O-N 2.79Å; V132-N136 PolarHBondContact O-N 2.93Å
133K44.5Very low41.5Very low148 Ų148125.6 Ų125.664%0.64363%0.627SS**Hα-helixtrans-64.7-38.5172.4-76.9-177.8179.2175.50111.8N136 I137K133-N136 PolarHBondContact O-N 2.87Å; K133-I137 VanDerWaalsContact O-CG1 3.3Å; K133-I137 WeakPolarHBondContact O-CG1 3.36Å; K133-I137 PolarHBondContact O-N 2.89Å; K133-I137 VanDerWaalsContact O-N 3.13Å
134Y36.1Very low41.7Very low158 Ų158124.5 Ų124.562%0.6262%0.615SS**Hα-helixtrans-68.2-33.8178.6-156.5-98.4000112.4K130 V132 K138K130-Y134 VanDerWaalsContact O-CB 3.25Å; K130-Y134 WeakPolarHBondContact O-CB 3.35Å; K130-Y134 PolarHBondContact O-N 3.06Å; V132-Y134 VanDerWaalsContact C-N 3.35Å; Y134-K138 HydrophobicContact CD1-CD 4.43Å; Y134-K138 HydrophobicContact CE1-CD 4.07Å; Y134-K138 VanDerWaalsContact O-CB 3.23Å; Y134-K138 WeakPolarHBondContact O-CB 3.41Å; Y134-K138 PolarHBondContact O-N 2.8Å
135F39.1Very low42.5Very low146 Ų146119.1 Ų119.164%0.6460%0.595SS**Hα-helixtrans-68.2-40177.2-147.8-95.3000112.5T131 V132 L139T131-F135 PolarHBondContact O-N 3.07Å; T131-F135 VanDerWaalsContact O-N 3.15Å; V132-F135 PolarHBondContact O-N 2.79Å; F135-L139 HydrophobicContact CD1-CD1 3.91Å; F135-L139 HydrophobicContact CE1-CD1 3.75Å; F135-L139 PolarHBondContact O-N 3.48Å; F135-L139 VanDerWaalsContact O-N 3.12Å
136N41.3Very low43.3Very low120 Ų120115.4 Ų115.464%0.64258%0.582SS**Hα-helixtrans-71-37.5177.6-116-71.7000112.6V132 K133 L140V132-N136 PolarHBondContact O-N 2.93Å; K133-N136 PolarHBondContact O-N 2.87Å; N136-L140 WeakPolarHBondContact O-CB 3.48Å; N136-L140 PolarHBondContact O-N 3.22Å; N136-L140 VanDerWaalsContact O-N 3.08Å
137I46.1Very low44Very low102 Ų102115.8 Ų115.852%0.52358%0.582SS.*Hα-helixtrans-71-36.4175.7-63.3168.9000111.2K133 L140 Q141K133-I137 VanDerWaalsContact O-CG1 3.3Å; K133-I137 WeakPolarHBondContact O-CG1 3.36Å; K133-I137 PolarHBondContact O-N 2.89Å; K133-I137 VanDerWaalsContact O-N 3.13Å; I137-L140 PolarHBondContact O-N 2.94Å; I137-Q141 HydrophobicContact CG2-CG 4.25Å; I137-Q141 WeakPolarHBondContact O-CB 3.43Å; I137-Q141 WeakPolarHBondContact O-CG 3.29Å; I137-Q141 PolarHBondContact O-N 3.37Å
138K41Very low45.1Very low129 Ų129115 Ų11556%0.56157%0.572SS**Hα-helixtrans-69.3-33.2178-154.1169-171.1-1750112.2Y134 C142Y134-K138 HydrophobicContact CD1-CD 4.43Å; Y134-K138 HydrophobicContact CE1-CD 4.07Å; Y134-K138 VanDerWaalsContact O-CB 3.23Å; Y134-K138 WeakPolarHBondContact O-CB 3.41Å; Y134-K138 PolarHBondContact O-N 2.8Å; K138-C142 WeakPolarHBondContact O-CB 3.42Å; K138-C142 PolarHBondContact O-N 3.5Å; K138-C142 PolarHBondContact O-SG 3.11Å
139L45.2Very low46.3Very low89 Ų89111.4 Ų111.447%0.46656%0.561SS.*Hα-helixtrans-70-36.9170.3-108.895.4000112.9F135 K143F135-L139 HydrophobicContact CD1-CD1 3.91Å; F135-L139 HydrophobicContact CE1-CD1 3.75Å; F135-L139 PolarHBondContact O-N 3.48Å; F135-L139 VanDerWaalsContact O-N 3.12Å; L139-K143 PolarHBondContact O-N 3.44Å; L139-K143 VanDerWaalsContact O-N 3.09Å
140L47.6Very low47.1Very low101 Ų101110.4 Ų110.453%0.52956%0.559SS.*Hα-helixtrans-71.8-40.1178.4-154.174.1000111.6N136 I137 K143 I144N136-L140 WeakPolarHBondContact O-CB 3.48Å; N136-L140 PolarHBondContact O-N 3.22Å; N136-L140 VanDerWaalsContact O-N 3.08Å; I137-L140 PolarHBondContact O-N 2.94Å; L140-K143 PolarHBondContact O-N 2.89Å; L140-I144 HydrophobicContact CG-CD1 4.14Å; L140-I144 WeakPolarHBondContact O-CB 3.3Å; L140-I144 WeakPolarHBondContact O-CD1 3.29Å; L140-I144 VanDerWaalsContact O-CG1 3.23Å; L140-I144 WeakPolarHBondContact O-CG1 3.32Å; L140-I144 PolarHBondContact O-N 3.38Å
141Q42.8Very low48.4Very low102 Ų102107.3 Ų107.348%0.47755%0.551SS.*Hα-helixtrans-65.6-40.3172.9-73.1-73-50.200111.7I137 K143 I144 I145I137-Q141 HydrophobicContact CG2-CG 4.25Å; I137-Q141 WeakPolarHBondContact O-CB 3.43Å; I137-Q141 WeakPolarHBondContact O-CG 3.29Å; I137-Q141 PolarHBondContact O-N 3.37Å; Q141-K143 PolarHBondContact O-N 2.92Å; Q141-I144 PolarHBondContact O-N 2.89Å; Q141-I145 HydrophobicContact CB-CD1 4.41Å; Q141-I145 WeakPolarHBondContact O-CB 3.39Å; Q141-I145 VanDerWaalsContact O-CD1 3.3Å; Q141-I145 WeakPolarHBondContact O-CD1 3.33Å; Q141-I145 WeakPolarHBondContact O-CG1 3.37Å; Q141-I145 PolarHBondContact O-N 2.77Å
142C36.5Very low49.6Very low81 Ų81106.8 Ų106.855%0.54754%0.544SS..Hα-helixtrans-64.1-37.6174.9-75.20000113K138 S146K138-C142 WeakPolarHBondContact O-CB 3.42Å; K138-C142 PolarHBondContact O-N 3.5Å; K138-C142 PolarHBondContact O-SG 3.11Å; C142-S146 WeakPolarHBondContact O-CB 3.17Å; C142-S146 PolarHBondContact O-N 2.79Å
143K48.7Very low50.5Low145 Ų145106 Ų10663%0.6354%0.543SS*.Hα-helixtrans-68.7-41.8175.5-83173.2173.8175.90112.2L139 L140 Q141 M147L139-K143 PolarHBondContact O-N 3.44Å; L139-K143 VanDerWaalsContact O-N 3.09Å; L140-K143 PolarHBondContact O-N 2.89Å; Q141-K143 PolarHBondContact O-N 2.92Å; K143-M147 WeakPolarHBondContact O-CG 3.43Å; K143-M147 PolarHBondContact O-N 2.83Å
144I51.5Low51.4Low85 Ų85103 Ų10344%0.43654%0.537SS..Hα-helixtrans-68.1-44.3178.9-66.9163.6000110.9L140 Q141 S146 M147 S148L140-I144 HydrophobicContact CG-CD1 4.14Å; L140-I144 WeakPolarHBondContact O-CB 3.3Å; L140-I144 WeakPolarHBondContact O-CD1 3.29Å; L140-I144 VanDerWaalsContact O-CG1 3.23Å; L140-I144 WeakPolarHBondContact O-CG1 3.32Å; L140-I144 PolarHBondContact O-N 3.38Å; Q141-I144 PolarHBondContact O-N 2.89Å; I144-S146 PolarHBondContact O-N 3.02Å; I144-M147 PolarHBondContact O-N 2.7Å; I144-S148 PolarHBondContact O-N 2.84Å; I144-S148 PolarHBondContact O-OG 2.74Å; I144-S148 VanDerWaalsContact O-OG 3.1Å
145I55.2Low52.5Low90 Ų90101 Ų10146%0.46253%0.533SS..Hα-helixtrans-64.8-39.9177.6-64.4161.5000111.2Q141 S148 L149Q141-I145 HydrophobicContact CB-CD1 4.41Å; Q141-I145 WeakPolarHBondContact O-CB 3.39Å; Q141-I145 VanDerWaalsContact O-CD1 3.3Å; Q141-I145 WeakPolarHBondContact O-CD1 3.33Å; Q141-I145 WeakPolarHBondContact O-CG1 3.37Å; Q141-I145 PolarHBondContact O-N 2.77Å; I145-S148 PolarHBondContact O-N 3.48Å; I145-L149 HydrophobicContact CG2-CD1 3.98Å; I145-L149 WeakPolarHBondContact O-CB 3.08Å; I145-L149 WeakPolarHBondContact O-CG 3.42Å; I145-L149 PolarHBondContact O-N 3.33Å
146S61.6Low53.7Low78 Ų78101.5 Ų101.555%0.54554%0.535SS..Hα-helixtrans-64.1-42.8175.9-1760000112.3C142 I144 L149 L150C142-S146 WeakPolarHBondContact O-CB 3.17Å; C142-S146 PolarHBondContact O-N 2.79Å; I144-S146 PolarHBondContact O-N 3.02Å; S146-L149 PolarHBondContact O-N 2.99Å; S146-L150 WeakPolarHBondContact O-CB 3.4Å; S146-L150 PolarHBondContact O-N 3.24Å
147M56.7Low54.5Low127 Ų127102 Ų10263%0.62654%0.537SS*.Hα-helixtrans-67.8-38.5176.1-71.6-150.678.900112.8K143 I144 L150 V151K143-M147 WeakPolarHBondContact O-CG 3.43Å; K143-M147 PolarHBondContact O-N 2.83Å; I144-M147 PolarHBondContact O-N 2.7Å; M147-L150 PolarHBondContact O-N 2.84Å; M147-V151 VanDerWaalsContact O-CG2 3.26Å; M147-V151 WeakPolarHBondContact O-CG2 3.3Å; M147-V151 PolarHBondContact O-N 2.9Å
148S65.3Low54.8Low63 Ų63104 Ų10444%0.44154%0.544SS..Hα-helixtrans-66.8-39.4176.4-60.60000112.5I144 I145 V151 I152I144-S148 PolarHBondContact O-N 2.84Å; I144-S148 PolarHBondContact O-OG 2.74Å; I144-S148 VanDerWaalsContact O-OG 3.1Å; I145-S148 PolarHBondContact O-N 3.48Å; S148-V151 PolarHBondContact O-N 3.37Å; S148-I152 WeakPolarHBondContact O-CD1 3.42Å; S148-I152 WeakPolarHBondContact O-CG1 3.43Å; S148-I152 PolarHBondContact O-N 2.79Å
149L60.3Low55.3Low111 Ų111105 Ų10558%0.58156%0.555SS**Hα-helixtrans-67.2-36.9174.7-74.4168.3000112.3I145 S146 I152 S153I145-L149 HydrophobicContact CG2-CD1 3.98Å; I145-L149 WeakPolarHBondContact O-CB 3.08Å; I145-L149 WeakPolarHBondContact O-CG 3.42Å; I145-L149 PolarHBondContact O-N 3.33Å; S146-L149 PolarHBondContact O-N 2.99Å; L149-I152 PolarHBondContact O-N 3.35Å; L149-S153 WeakPolarHBondContact O-CB 3.46Å; L149-S153 PolarHBondContact O-N 3.41Å
150L58.7Low55.7Low111 Ų111109.9 Ų109.958%0.58157%0.572SS**Hα-helixtrans-62.9-44.6173.8-162.180.2000111.1S146 M147 S153 V154S146-L150 WeakPolarHBondContact O-CB 3.4Å; S146-L150 PolarHBondContact O-N 3.24Å; M147-L150 PolarHBondContact O-N 2.84Å; L150-S153 PolarHBondContact O-N 2.76Å; L150-V154 WeakPolarHBondContact O-CB 3.43Å; L150-V154 VanDerWaalsContact O-CG2 3.25Å; L150-V154 WeakPolarHBondContact O-CG2 3.34Å; L150-V154 PolarHBondContact O-N 3.06Å
151V60.3Low55.8Low73 Ų73115.1 Ų115.144%0.44260%0.599SS.*Hα-helixtrans-63.3-42.2177.51710000111.7M147 S148 S153 V154 Q155M147-V151 VanDerWaalsContact O-CG2 3.26Å; M147-V151 WeakPolarHBondContact O-CG2 3.3Å; M147-V151 PolarHBondContact O-N 2.9Å; S148-V151 PolarHBondContact O-N 3.37Å; V151-S153 VanDerWaalsContact C-N 3.35Å; V151-S153 PolarHBondContact O-N 3.37Å; V151-V154 PolarHBondContact O-N 3.15Å; V151-Q155 WeakPolarHBondContact O-CB 3.27Å; V151-Q155 WeakPolarHBondContact O-CG 3.13Å; V151-Q155 PolarHBondContact O-N 2.86Å; V151-Q155 PolarHBondContact O-OE1 2.87Å
152I62.3Low56.4Low87 Ų87115.8 Ų115.845%0.44661%0.605SS.*Hα-helixtrans-66.2-37.8177.2-65.6161.7000111.3S148 L149 K156S148-I152 WeakPolarHBondContact O-CD1 3.42Å; S148-I152 WeakPolarHBondContact O-CG1 3.43Å; S148-I152 PolarHBondContact O-N 2.79Å; L149-I152 PolarHBondContact O-N 3.35Å; I152-K156 PolarHBondContact O-N 2.88Å
153S59.8Low57.4Low80 Ų80117.6 Ų117.656%0.55961%0.608SS**Hα-helixtrans-67.1-43.3176.4-162.50000111.8L149 L150 V151 K156 L157L149-S153 WeakPolarHBondContact O-CB 3.46Å; L149-S153 PolarHBondContact O-N 3.41Å; L150-S153 PolarHBondContact O-N 2.76Å; V151-S153 VanDerWaalsContact C-N 3.35Å; V151-S153 PolarHBondContact O-N 3.37Å; S153-K156 PolarHBondContact O-N 3.11Å; S153-L157 PolarHBondContact O-N 3.34Å
154V63.8Low57.9Low85 Ų85116.1 Ų116.152%0.51561%0.606SS.*Hα-helixtrans-64-40.4175.7171.90000111.3L150 V151 L157 Q158L150-V154 WeakPolarHBondContact O-CB 3.43Å; L150-V154 VanDerWaalsContact O-CG2 3.25Å; L150-V154 WeakPolarHBondContact O-CG2 3.34Å; L150-V154 PolarHBondContact O-N 3.06Å; V151-V154 PolarHBondContact O-N 3.15Å; V154-L157 PolarHBondContact O-N 2.98Å; V154-Q158 WeakPolarHBondContact O-CG 3.34Å; V154-Q158 PolarHBondContact O-N 3.49Å
155Q58.9Low58.3Low115 Ų115117.9 Ų117.954%0.53762%0.616SS.*Hα-helixtrans-68.8-38176.6-77.9166.2-27.600112.7V151 L157 Q158 L159V151-Q155 WeakPolarHBondContact O-CB 3.27Å; V151-Q155 WeakPolarHBondContact O-CG 3.13Å; V151-Q155 PolarHBondContact O-N 2.86Å; V151-Q155 PolarHBondContact O-OE1 2.87Å; Q155-L157 VanDerWaalsContact C-N 3.3Å; Q155-L157 PolarHBondContact O-N 3.04Å; Q155-Q158 PolarHBondContact O-N 3.46Å; Q155-L159 PolarHBondContact O-N 3.38Å
156K64.9Low58.5Low157 Ų157119.7 Ų119.768%0.68363%0.626SS**Hα-helixtrans-67.1-28.7173.1-84.9-173.5175.8-177.70113.3I152 S153 Q158I152-K156 PolarHBondContact O-N 2.88Å; S153-K156 PolarHBondContact O-N 3.11Å; K156-Q158 VanDerWaalsContact C-N 3.34Å
157L56.8Low58.3Low132 Ų132122.5 Ų122.569%0.69163%0.632SS**Hα-helixtrans-73.8-25177.2-160.471.7000112.7S153 V154 Q155S153-L157 PolarHBondContact O-N 3.34Å; V154-L157 PolarHBondContact O-N 2.98Å; Q155-L157 VanDerWaalsContact C-N 3.3Å; Q155-L157 PolarHBondContact O-N 3.04Å
158Q52.7Low58.4Low144 Ų144122.1 Ų122.167%0.67363%0.632SS**Hα-helixtrans-86.3-13.9176.3-65.6-70.8-82.400113.6V154 Q155 K156V154-Q158 WeakPolarHBondContact O-CG 3.34Å; V154-Q158 PolarHBondContact O-N 3.49Å; Q155-Q158 PolarHBondContact O-N 3.46Å; K156-Q158 VanDerWaalsContact C-N 3.34Å
159L52.4Low57.9Low149 Ų149126.7 Ų126.778%0.7865%0.647SS**SBendtrans-98.99-177.4-98.3143.5000113.8Q155Q155-L159 PolarHBondContact O-N 3.38Å
160K53.8Low57.7Low192 Ų192128 Ų12884%0.83565%0.652SS**  trans-123.130.1-178.4-143.7163.6-173.4177.70113.6
161I47.8Very low57.6Low211 Ų211129.5 Ų129.5100%1.08266%0.659SS**  trans-117.70167.7-63.7169.8000107.4

Retrieved 161 of 161 residues in 39.3 ms (Link to these results)

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