A0A077ZKB8_TRITR Loading...

Ribonuclease P/MRP protein subunit POP5

AlphaFold DB , UniProt , Accession A0A077ZKB8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 115 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
1M91.8Very high86.1Confident20 Ų2050.7 Ų50.710%0.09929%0.287CS..  0134.10-63.5168.9175.800108.1Y3 V52 V53 A60 V63 S64 Y84 V85M1-Y3 HydrophobicContact CB-CD2 4.17Å; M1-Y3 HydrophobicContact CB-CE2 3.42Å; M1-Y3 VanDerWaalsContact CB-CE2 3.42Å; M1-Y3 HydrophobicContact CG-CE2 4.43Å; M1-Y3 HydrophobicContact SD-CE2 4.32Å; M1-Y3 PolarHBondContact SD-OH 3.01Å; M1-Y3 VanDerWaalsContact SD-OH 3.4Å; M1-V52 WeakPolarHBondContact O-CA 3.36Å; M1-V53 PolarHBondContact N-O 2.85Å; M1-V53 PolarHBondContact O-N 2.81Å; M1-A60 HydrophobicContact CE-CB 3.58Å; M1-V63 HydrophobicContact SD-CG1 4.36Å; M1-S64 VanDerWaalsContact CE-OG 3.24Å; M1-S64 WeakPolarHBondContact CE-OG 3.24Å; M1-Y84 CarbonylContact C-O 3.58Å; M1-Y84 WeakPolarHBondContact CA-O 3.15Å; M1-V85 HydrophobicContact CE-CG1 4.22Å; M1-V85 HydrophobicContact CG-CG1 4.08Å; M1-V85 HydrophobicContact CG-CG2 4.21Å
2L92.4Very high84.8Confident0 Ų048.8 Ų48.80%028%0.278CS..EExtended strand (participates in β ladder)trans-106.5122.6-179.9-174.873.4000108I50 V52 I83 Y84 A95 A96L2-I50 HydrophobicContact CD1-CG2 3.32Å; L2-I50 HydrophobicContact CG-CG2 4.08Å; L2-V52 HydrophobicContact CD1-CG2 3.54Å; L2-I83 HydrophobicContact CB-CB 4.48Å; L2-I83 HydrophobicContact CD2-CB 3.9Å; L2-I83 HydrophobicContact CD2-CD1 4.18Å; L2-I83 HydrophobicContact CD2-CG2 3.84Å; L2-I83 HydrophobicContact CG-CB 4.16Å; L2-I83 HydrophobicContact CG-CD1 4.25Å; L2-I83 PolarHBondContact O-N 3.26Å; L2-Y84 PolarHBondContact N-O 3.2Å; L2-Y84 PolarHBondContact O-N 3.48Å; L2-A95 HydrophobicContact CD2-CB 4.17Å; L2-A96 HydrophobicContact CD1-CB 4.3Å; L2-A96 HydrophobicContact CD2-CB 3.92Å
3Y92.7Very high83.5Confident7 Ų759.5 Ų59.53%0.02732%0.32CS..EExtended strand (participates in β ladder)trans-121.5147.9178.1-64.8-85.4000110.7M1 I50 V51 V53 I67 F80 K81 C82M1-Y3 HydrophobicContact CB-CD2 4.17Å; M1-Y3 HydrophobicContact CB-CE2 3.42Å; M1-Y3 VanDerWaalsContact CB-CE2 3.42Å; M1-Y3 HydrophobicContact CG-CE2 4.43Å; M1-Y3 HydrophobicContact SD-CE2 4.32Å; M1-Y3 PolarHBondContact SD-OH 3.01Å; M1-Y3 VanDerWaalsContact SD-OH 3.4Å; Y3-I50 CarbonylContact O-C 3.56Å; Y3-I50 WeakPolarHBondContact O-CA 3.26Å; Y3-V51 PolarHBondContact N-O 2.78Å; Y3-V51 PolarHBondContact O-N 2.7Å; Y3-V53 HydrophobicContact CD2-CB 4.4Å; Y3-V53 HydrophobicContact CD2-CG2 3.89Å; Y3-V53 HydrophobicContact CE2-CB 4.24Å; Y3-V53 HydrophobicContact CE2-CG2 4.09Å; Y3-I67 HydrophobicContact CD1-CG2 4.23Å; Y3-I67 HydrophobicContact CE1-CG1 4.48Å; Y3-I67 HydrophobicContact CE1-CG2 3.81Å; Y3-I67 HydrophobicContact CE2-CD1 4.18Å; Y3-I67 HydrophobicContact CE2-CG1 4.47Å; Y3-F80 HydrophobicContact CD1-CB 4.11Å; Y3-F80 HydrophobicContact CD1-CD1 4.36Å; Y3-F80 HydrophobicContact CG-CD1 4.03Å; Y3-K81 CarbonylContact C-O 3.56Å; Y3-K81 VanDerWaalsContact CA-O 3.24Å; Y3-K81 WeakPolarHBondContact CA-O 3.19Å; Y3-C82 HydrophobicContact CD1-CB 3.96Å; Y3-C82 HydrophobicContact CE1-CB 3.73Å
4Q91Very high82.2Confident13 Ų1357.4 Ų57.46%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-104.1128.9164.9-179.5176.226.700108.8L6 K49 K81 I83 H99 E103Q4-L6 HydrophobicContact CG-CD2 4.05Å; Q4-K49 CarbonylContact C-O 3.21Å; Q4-K49 WeakPolarHBondContact CA-O 3.49Å; Q4-K81 HydrophobicContact CB-CB 4.33Å; Q4-K81 PolarHBondContact N-O 3.2Å; Q4-K81 PolarHBondContact O-N 3.4Å; Q4-I83 HydrophobicContact CB-CD1 3.65Å; Q4-I83 HydrophobicContact CB-CG1 4.07Å; Q4-H99 PolarHBondContact OE1-NE2 2.87Å; Q4-E103 PolarHBondContact NE2-OE1 3.06Å; Q4-E103 PolarHBondContact OE1-OE1 3.42Å
5L90Very high81.2Confident0 Ų062.1 Ų62.10%033%0.333CS..EExtended strand (participates in β ladder)trans-81.3113.4169.6-76.8156.1000108.7I14 I21 K49 V51 I73 V78 F80L5-I14 HydrophobicContact CB-CD1 3.92Å; L5-I21 HydrophobicContact CD1-CD1 3.96Å; L5-K49 HydrophobicContact CB-CB 4.46Å; L5-K49 PolarHBondContact N-O 3.48Å; L5-V51 HydrophobicContact CD1-CG2 3.33Å; L5-V51 HydrophobicContact CG-CG2 3.94Å; L5-I73 HydrophobicContact CD2-CD1 4.09Å; L5-V78 HydrophobicContact CD2-CB 3.95Å; L5-V78 HydrophobicContact CD2-CG1 4Å; L5-V78 HydrophobicContact CD2-CG2 4.39Å; L5-F80 HydrophobicContact CD2-CD1 4.35Å; L5-F80 HydrophobicContact CD2-CD2 4.06Å; L5-F80 HydrophobicContact CD2-CE1 3.89Å; L5-F80 HydrophobicContact CD2-CE2 3.57Å; L5-F80 HydrophobicContact CD2-CG 4.42Å; L5-F80 HydrophobicContact CD2-CZ 3.48Å; L5-F80 VanDerWaalsContact CD2-CZ 3.48Å; L5-F80 HydrophobicContact CG-CE1 4.32Å; L5-F80 HydrophobicContact CG-CZ 4.35Å
6L89.2Confident80.4Confident74 Ų7458.6 Ų58.639%0.38732%0.315SS..EExtended strand (participates in β ladder)trans-94.4129.5167-56.4177.1000107.8Q4 V78 I79 K81Q4-L6 HydrophobicContact CG-CD2 4.05Å; L6-V78 CarbonylContact O-C 3.53Å; L6-V78 VanDerWaalsContact O-CA 3.29Å; L6-V78 WeakPolarHBondContact O-CA 3.42Å; L6-I79 HydrophobicContact CB-CB 4.32Å; L6-I79 PolarHBondContact N-O 3.01Å; L6-I79 PolarHBondContact O-N 3.07Å; L6-K81 HydrophobicContact CD1-CB 4.09Å; L6-K81 HydrophobicContact CD1-CD 4.27Å; L6-K81 HydrophobicContact CG-CB 4.36Å
7T88.3Confident80.5Confident11 Ų1159.3 Ų59.37%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-114.2145.5178.945.70000110.9P9 P10 S12 I14 T77 V78T7-P9 CarbonylContact C-O 3.55Å; T7-P9 CarbonylContact O-C 3.56Å; T7-P9 PolarHBondContact OG1-O 3.05Å; T7-P10 VanDerWaalsContact O-CA 3.31Å; T7-P10 WeakPolarHBondContact O-CA 3.39Å; T7-S12 VanDerWaalsContact CB-OG 3.3Å; T7-S12 WeakPolarHBondContact CB-OG 3.31Å; T7-S12 PolarHBondContact OG1-OG 3.05Å; T7-I14 HydrophobicContact CG2-CD1 3.48Å; T7-I14 VanDerWaalsContact CG2-CD1 3.48Å; T7-I14 HydrophobicContact CG2-CG1 3.68Å; T7-T77 WeakPolarHBondContact CA-O 3.32Å; T7-V78 HydrophobicContact CG2-CG1 3.81Å
8D83.8Confident80.8Confident116 Ų11658.9 Ų58.962%0.6233%0.328SS*.EExtended strand (participates in β ladder)trans-110.5116.2162.8-92.8-40000108.8T77D8-T77 PolarHBondContact N-O 3.03Å
9P82.1Confident81.2Confident87 Ų8759.1 Ų59.157%0.56534%0.337SS*.SBendcis-75.7156.31.829.5-33.7000114T7 D11 S12T7-P9 CarbonylContact C-O 3.55Å; T7-P9 CarbonylContact O-C 3.56Å; T7-P9 PolarHBondContact OG1-O 3.05Å; P9-D11 PolarHBondContact O-N 3.32Å; P9-D11 VanDerWaalsContact O-N 3.11Å; P9-S12 PolarHBondContact O-N 3.22Å; P9-S12 VanDerWaalsContact O-N 3.14Å; P9-S12 PolarHBondContact O-OG 3.27Å
10P74.9Confident81.6Confident84 Ų8461.4 Ų61.455%0.54534%0.34SS..THydrogen-bonded Turntrans-62.8-22-169.221.9-33.3000115.2T7 K49T7-P10 VanDerWaalsContact O-CA 3.31Å; T7-P10 WeakPolarHBondContact O-CA 3.39Å; P10-K49 PolarHBondContact O-NZ 2.9Å
11D70.7Confident82Confident146 Ų14658.4 Ų58.478%0.78132%0.324SS*.THydrogen-bonded Turntrans-107.911.1-178.8-65.4-41.8000114.2P9 K13P9-D11 PolarHBondContact O-N 3.32Å; P9-D11 VanDerWaalsContact O-N 3.11Å; D11-K13 PolarHBondContact O-N 2.85Å
12S71.1Confident82Confident27 Ų2762.3 Ų62.319%0.18934%0.338CS..  trans-60.8125.6172.850.20000110.3T7 P9 I14T7-S12 VanDerWaalsContact CB-OG 3.3Å; T7-S12 WeakPolarHBondContact CB-OG 3.31Å; T7-S12 PolarHBondContact OG1-OG 3.05Å; P9-S12 PolarHBondContact O-N 3.22Å; P9-S12 VanDerWaalsContact O-N 3.14Å; P9-S12 PolarHBondContact O-OG 3.27Å; S12-I14 PolarHBondContact O-N 2.87Å; S12-I14 VanDerWaalsContact O-N 3.09Å
13K67.7Low82Confident189 Ų18965.8 Ų65.882%0.82236%0.362SS*.  trans-61.5115.5170.4-86.9-174.8177.5178.50107.7D11 D15D11-K13 PolarHBondContact O-N 2.85Å; K13-D15 PolarHBondContact O-N 3.09Å
14I65.8Low82Confident30 Ų3066.3 Ų66.315%0.15437%0.369CS..  trans-76.491177.8-56.4-169.6000107.6L5 T7 S12 C16 K49L5-I14 HydrophobicContact CB-CD1 3.92Å; T7-I14 HydrophobicContact CG2-CD1 3.48Å; T7-I14 VanDerWaalsContact CG2-CD1 3.48Å; T7-I14 HydrophobicContact CG2-CG1 3.68Å; S12-I14 PolarHBondContact O-N 2.87Å; S12-I14 VanDerWaalsContact O-N 3.09Å; I14-C16 HydrophobicContact CG2-CB 3.38Å; I14-C16 WeakPolarHBondContact CG2-SG 3.32Å; I14-C16 PolarHBondContact O-N 2.71Å; I14-K49 HydrophobicContact CD1-CB 4.16Å; I14-K49 HydrophobicContact CD1-CD 4.02Å; I14-K49 HydrophobicContact CD1-CG 3.72Å; I14-K49 HydrophobicContact CG1-CG 4.47Å
15D67.2Low82.1Confident127 Ų12765.8 Ų65.868%0.67937%0.366SS*.  trans-74.348.4165.2-88.7-14.1000110.9K13 R20K13-D15 PolarHBondContact O-N 3.09Å; D15-R20 PolarHBondContact O-NH1 3.19Å
16C67.8Low82.3Confident7 Ų765.9 Ų65.95%0.04737%0.367CS..  trans-101.886.3176.1-59.70000108.9I14 I21 A46 I73I14-C16 HydrophobicContact CG2-CB 3.38Å; I14-C16 WeakPolarHBondContact CG2-SG 3.32Å; I14-C16 PolarHBondContact O-N 2.71Å; C16-I21 HydrophobicContact CB-CD1 4.03Å; C16-I21 HydrophobicContact CB-CG1 3.85Å; C16-A46 WeakPolarHBondContact O-CB 3.4Å; C16-I73 HydrophobicContact CB-CG2 4.26Å; C16-I73 WeakPolarHBondContact SG-CG2 3.48Å
17S82.8Confident82.5Confident70 Ų7064.7 Ų64.749%0.4937%0.367SS..  trans-49.1143.9161170.80000109.9A19 R20 I21S17-A19 PolarHBondContact O-N 2.95Å; S17-A19 PolarHBondContact OG-N 2.94Å; S17-R20 WeakPolarHBondContact O-CB 3.43Å; S17-R20 PolarHBondContact O-N 3.14Å; S17-I21 PolarHBondContact O-N 3.11Å
18S86Confident82.8Confident53 Ų5364.7 Ų64.737%0.37137%0.369SS..Hα-helixtrans-51-32.7177.154.40000112.5I21 Y22S18-I21 PolarHBondContact O-N 2.9Å; S18-Y22 WeakPolarHBondContact O-CB 3.49Å; S18-Y22 PolarHBondContact O-N 3.41Å
19A88.2Confident83.4Confident61 Ų6159.4 Ų59.450%0.50434%0.34SS..Hα-helixtrans-63.5-38.6175.100000113.2S17 S23S17-A19 PolarHBondContact O-N 2.95Å; S17-A19 PolarHBondContact OG-N 2.94Å; A19-S23 WeakPolarHBondContact O-CB 3.3Å; A19-S23 PolarHBondContact O-N 3.4Å
20R88.4Confident84Confident105 Ų10560.6 Ų60.640%0.39633%0.334SS..Hα-helixtrans-69.4-40.7177.8-68.4-175.4172.8177.6-6111.3D15 S17 S23 A24 I73D15-R20 PolarHBondContact O-NH1 3.19Å; S17-R20 WeakPolarHBondContact O-CB 3.43Å; S17-R20 PolarHBondContact O-N 3.14Å; R20-S23 PolarHBondContact O-N 2.77Å; R20-A24 WeakPolarHBondContact O-CB 3.35Å; R20-A24 PolarHBondContact O-N 3.3Å; R20-I73 HydrophobicContact CB-CG2 4.17Å
21I90.3Very high84.9Confident0 Ų060.9 Ų60.90%034%0.343CS..Hα-helixtrans-64.4-46.3176.1-61.1173.2000110.1L5 C16 S17 S18 S23 A24 I25 V43 A46 V51 I73 F80L5-I21 HydrophobicContact CD1-CD1 3.96Å; C16-I21 HydrophobicContact CB-CD1 4.03Å; C16-I21 HydrophobicContact CB-CG1 3.85Å; S17-I21 PolarHBondContact O-N 3.11Å; S18-I21 PolarHBondContact O-N 2.9Å; I21-S23 VanDerWaalsContact C-N 3.35Å; I21-S23 PolarHBondContact O-N 3.41Å; I21-A24 PolarHBondContact O-N 3.37Å; I21-I25 HydrophobicContact CG2-CD1 3.76Å; I21-I25 HydrophobicContact CG2-CG1 4.39Å; I21-I25 VanDerWaalsContact O-CG1 3.3Å; I21-I25 WeakPolarHBondContact O-CG1 3.35Å; I21-I25 PolarHBondContact O-N 2.87Å; I21-V43 HydrophobicContact CB-CG1 4.16Å; I21-V43 HydrophobicContact CG2-CG1 3.86Å; I21-A46 HydrophobicContact CD1-CB 3.42Å; I21-A46 VanDerWaalsContact CD1-CB 3.42Å; I21-V51 HydrophobicContact CD1-CG2 3.79Å; I21-V51 HydrophobicContact CG2-CG1 4.09Å; I21-I73 HydrophobicContact CG1-CD1 4.16Å; I21-F80 HydrophobicContact CG2-CE1 4.27Å; I21-F80 HydrophobicContact CG2-CZ 4.06Å
22Y92Very high86Confident101 Ų10156.6 Ų56.640%0.39632%0.323SS..Hα-helixtrans-54.9-50.6174.6174.3-91.7000111.6S18 A24 I25 C26 L41 V43S18-Y22 WeakPolarHBondContact O-CB 3.49Å; S18-Y22 PolarHBondContact O-N 3.41Å; Y22-A24 PolarHBondContact O-N 2.83Å; Y22-I25 PolarHBondContact O-N 3.42Å; Y22-C26 VanDerWaalsContact CZ-SG 3.53Å; Y22-C26 WeakPolarHBondContact O-CB 3.44Å; Y22-C26 PolarHBondContact O-N 2.79Å; Y22-C26 PolarHBondContact O-SG 2.92Å; Y22-L41 HydrophobicContact CD2-CB 4.49Å; Y22-L41 HydrophobicContact CD2-CD2 3.64Å; Y22-L41 HydrophobicContact CD2-CG 4.22Å; Y22-L41 HydrophobicContact CE2-CB 3.93Å; Y22-L41 HydrophobicContact CE2-CD2 3.77Å; Y22-L41 HydrophobicContact CE2-CG 4.15Å; Y22-L41 WeakPolarHBondContact CE2-O 3.38Å; Y22-V43 HydrophobicContact CD2-CG2 4.16Å
23S92Very high87.1Confident73 Ų7358.7 Ų58.751%0.5133%0.328SS..Hα-helixtrans-58.5-44.81781760000112.2A19 R20 I21 C26 A27A19-S23 WeakPolarHBondContact O-CB 3.3Å; A19-S23 PolarHBondContact O-N 3.4Å; R20-S23 PolarHBondContact O-N 2.77Å; I21-S23 VanDerWaalsContact C-N 3.35Å; I21-S23 PolarHBondContact O-N 3.41Å; S23-C26 PolarHBondContact O-N 2.93Å; S23-A27 WeakPolarHBondContact O-CB 3.47Å; S23-A27 PolarHBondContact O-N 3.01Å
24A92.7Very high88.3Confident19 Ų1951.2 Ų51.216%0.15731%0.305CS..Hα-helixtrans-63.5-42.1178.400000112.5R20 I21 Y22 A27 A28 I70 I73R20-A24 WeakPolarHBondContact O-CB 3.35Å; R20-A24 PolarHBondContact O-N 3.3Å; I21-A24 PolarHBondContact O-N 3.37Å; Y22-A24 PolarHBondContact O-N 2.83Å; A24-A27 PolarHBondContact O-N 2.91Å; A24-A28 PolarHBondContact O-N 2.77Å; A24-I70 HydrophobicContact CB-CG2 4.17Å; A24-I73 HydrophobicContact CB-CD1 4.42Å; A24-I73 HydrophobicContact CB-CG1 3.86Å
25I93.3Very high89.4Confident1 Ų156 Ų561%0.00533%0.327CS..Hα-helixtrans-64.2-47.6176.1-65.6167.4000110.4I21 Y22 A27 A28 I29 L41 V43 V53 I67 I70I21-I25 HydrophobicContact CG2-CD1 3.76Å; I21-I25 HydrophobicContact CG2-CG1 4.39Å; I21-I25 VanDerWaalsContact O-CG1 3.3Å; I21-I25 WeakPolarHBondContact O-CG1 3.35Å; I21-I25 PolarHBondContact O-N 2.87Å; Y22-I25 PolarHBondContact O-N 3.42Å; I25-A27 VanDerWaalsContact C-N 3.31Å; I25-A27 PolarHBondContact O-N 2.94Å; I25-A28 PolarHBondContact O-N 3.27Å; I25-I29 HydrophobicContact CG2-CD1 3.71Å; I25-I29 HydrophobicContact CG2-CG1 4.37Å; I25-I29 VanDerWaalsContact O-CG1 3.29Å; I25-I29 WeakPolarHBondContact O-CG1 3.43Å; I25-I29 PolarHBondContact O-N 3.45Å; I25-L41 HydrophobicContact CB-CD2 4.04Å; I25-L41 HydrophobicContact CG2-CD1 4.25Å; I25-L41 HydrophobicContact CG2-CD2 3.64Å; I25-V43 HydrophobicContact CD1-CG2 4Å; I25-V53 HydrophobicContact CD1-CG2 3.87Å; I25-I67 HydrophobicContact CD1-CD1 4.12Å; I25-I67 HydrophobicContact CG1-CD1 4.04Å; I25-I70 HydrophobicContact CB-CD1 4.21Å; I25-I70 HydrophobicContact CG1-CD1 3.6Å
26C94Very high90.4Very high3 Ų359.5 Ų59.52%0.0233%0.332CS..Hα-helixtrans-59.9-41.1177-740000112.2Y22 S23 I29 R30 L38Y22-C26 VanDerWaalsContact CZ-SG 3.53Å; Y22-C26 WeakPolarHBondContact O-CB 3.44Å; Y22-C26 PolarHBondContact O-N 2.79Å; Y22-C26 PolarHBondContact O-SG 2.92Å; S23-C26 PolarHBondContact O-N 2.93Å; C26-I29 PolarHBondContact O-N 2.83Å; C26-R30 PolarHBondContact O-N 3.43Å; C26-L38 HydrophobicContact CB-CD2 3.88Å
27A94Very high91.2Very high48 Ų4859.2 Ų59.240%0.39733%0.33SS..Hα-helixtrans-63.2-43.8176.800000111.9S23 A24 I25 R30 A31S23-A27 WeakPolarHBondContact O-CB 3.47Å; S23-A27 PolarHBondContact O-N 3.01Å; A24-A27 PolarHBondContact O-N 2.91Å; I25-A27 VanDerWaalsContact C-N 3.31Å; I25-A27 PolarHBondContact O-N 2.94Å; A27-R30 PolarHBondContact O-N 2.94Å; A27-A31 WeakPolarHBondContact O-CB 3.41Å; A27-A31 PolarHBondContact O-N 3.4Å
28A94.5Very high91.3Very high12 Ų1258 Ų5810%0.09932%0.318CS..Hα-helixtrans-65.2-40.1176.800000112.6A24 I25 A31 T32 I70A24-A28 PolarHBondContact O-N 2.77Å; I25-A28 PolarHBondContact O-N 3.27Å; A28-A31 PolarHBondContact O-N 3.26Å; A28-T32 PolarHBondContact O-N 3.28Å; A28-T32 VanDerWaalsContact O-N 3.08Å; A28-T32 PolarHBondContact O-OG1 2.99Å; A28-I70 HydrophobicContact CB-CD1 4.14Å; A28-I70 HydrophobicContact CB-CG1 3.51Å
29I95.1Very high91.2Very high4 Ų456.8 Ų56.82%0.02131%0.313CS..Hα-helixtrans-62.6-47.4175.2-67.8167.8000110.5I25 C26 A31 T32 F33 G37 V63 S66I25-I29 HydrophobicContact CG2-CD1 3.71Å; I25-I29 HydrophobicContact CG2-CG1 4.37Å; I25-I29 VanDerWaalsContact O-CG1 3.29Å; I25-I29 WeakPolarHBondContact O-CG1 3.43Å; I25-I29 PolarHBondContact O-N 3.45Å; C26-I29 PolarHBondContact O-N 2.83Å; I29-A31 VanDerWaalsContact C-N 3.3Å; I29-A31 PolarHBondContact O-N 3.4Å; I29-T32 PolarHBondContact O-N 2.98Å; I29-T32 VanDerWaalsContact O-N 3.14Å; I29-F33 PolarHBondContact O-N 2.91Å; I29-G37 VanDerWaalsContact CG2-C 3.45Å; I29-G37 WeakPolarHBondContact CG2-O 3.49Å; I29-V63 HydrophobicContact CD1-CG2 3.91Å; I29-S66 WeakPolarHBondContact CA-OG 3.48Å
30R94.7Very high91.2Very high112 Ų11262.7 Ų62.742%0.42332%0.322SS..Hα-helixtrans-58.5-42.7175-78.1-169.9-15596.59.3112.5C26 A27 T32 G34 E35 L38C26-R30 PolarHBondContact O-N 3.43Å; A27-R30 PolarHBondContact O-N 2.94Å; R30-T32 PolarHBondContact O-N 2.92Å; R30-G34 WeakPolarHBondContact O-CA 3.29Å; R30-G34 PolarHBondContact O-N 2.95Å; R30-E35 WeakPolarHBondContact CD-OE1 3.3Å; R30-E35 IonicContact NE-OE1 2.91Å; R30-E35 PolarHBondContact NE-OE1 3.38Å; R30-L38 HydrophobicContact CG-CD1 3.46Å; R30-L38 VanDerWaalsContact CG-CD1 3.46Å; R30-L38 HydrophobicContact CG-CG 4.29Å
31A94.7Very high91.3Very high91 Ų9158.3 Ų58.375%0.75231%0.307SS*.Hα-helixtrans-64.5-28.818000000112.5A27 A28 I29A27-A31 WeakPolarHBondContact O-CB 3.41Å; A27-A31 PolarHBondContact O-N 3.4Å; A28-A31 PolarHBondContact O-N 3.26Å; I29-A31 VanDerWaalsContact C-N 3.3Å; I29-A31 PolarHBondContact O-N 3.4Å
32T93.8Very high91.4Very high56 Ų5664 Ų6434%0.34433%0.331SS..Hα-helixtrans-93.5-41.3-176.5-40.60000112.7A28 I29 R30 S66 F69A28-T32 PolarHBondContact O-N 3.28Å; A28-T32 VanDerWaalsContact O-N 3.08Å; A28-T32 PolarHBondContact O-OG1 2.99Å; I29-T32 PolarHBondContact O-N 2.98Å; I29-T32 VanDerWaalsContact O-N 3.14Å; R30-T32 PolarHBondContact O-N 2.92Å; T32-S66 PolarHBondContact OG1-OG 3.33Å; T32-F69 HydrophobicContact CG2-CE2 4.31Å
33F93.7Very high91.3Very high71 Ų7160 Ų6031%0.31132%0.318SS..Hα-helixtrans-125.5-1.5-169.1-59.4-69.8000113.7I29 F62 V65 S66I29-F33 PolarHBondContact O-N 2.91Å; F33-F62 HydrophobicContact CB-CD1 4.49Å; F33-F62 AromaticContact CD1-CD1 3.85Å; F33-F62 HydrophobicContact CD1-CD1 3.85Å; F33-F62 HydrophobicContact CD1-CE1 4.15Å; F33-F62 HydrophobicContact CD2-CB 3.94Å; F33-F62 AromaticContact CD2-CD1 3.75Å; F33-F62 HydrophobicContact CD2-CD1 3.75Å; F33-F62 HydrophobicContact CD2-CG 4.25Å; F33-F62 AromaticContact CE1-CD1 3.92Å; F33-F62 HydrophobicContact CE1-CD1 3.92Å; F33-F62 HydrophobicContact CE1-CE1 4.34Å; F33-F62 HydrophobicContact CE2-CB 3.96Å; F33-F62 AromaticContact CE2-CD1 3.83Å; F33-F62 HydrophobicContact CE2-CD1 3.83Å; F33-F62 HydrophobicContact CE2-CG 4.39Å; F33-F62 AromaticContact CG-CD1 3.76Å; F33-F62 HydrophobicContact CG-CD1 3.76Å; F33-F62 HydrophobicContact CG-CE1 4.36Å; F33-F62 AromaticContact CZ-CD1 3.91Å; F33-F62 HydrophobicContact CZ-CD1 3.91Å; F33-V65 HydrophobicContact CE2-CB 4.19Å; F33-V65 HydrophobicContact CE2-CG1 4.24Å; F33-V65 HydrophobicContact CZ-CB 3.93Å; F33-V65 HydrophobicContact CZ-CG1 3.75Å; F33-S66 VanDerWaalsContact CE2-OG 3.32Å; F33-S66 WeakPolarHBondContact CE2-OG 3.24Å
34G92.5Very high91Very high32 Ų3260.1 Ų60.133%0.3331%0.31SS..G310 helixtrans68.8-160.2-171.100000113.2R30 Y36 G37R30-G34 WeakPolarHBondContact O-CA 3.29Å; R30-G34 PolarHBondContact O-N 2.95Å; G34-Y36 PolarHBondContact O-N 3.42Å; G34-G37 PolarHBondContact O-N 3.07Å
35E89Confident90Very high130 Ų13063.6 Ų63.661%0.60733%0.326SS*.G310 helixtrans-66.3-23.3178.6-70.2-65.5143.100112.9R30 G37 L38R30-E35 WeakPolarHBondContact CD-OE1 3.3Å; R30-E35 IonicContact NE-OE1 2.91Å; R30-E35 PolarHBondContact NE-OE1 3.38Å; E35-G37 PolarHBondContact O-N 2.75Å; E35-L38 WeakPolarHBondContact O-CB 3.29Å; E35-L38 PolarHBondContact O-N 3Å; E35-L38 VanDerWaalsContact O-N 3.12Å; E35-L38 WeakPolarHBondContact OE2-CD1 3.46Å
36Y88.2Confident88.5Confident200 Ų20064 Ų6478%0.78433%0.33SS*.G310 helixtrans-61-32.1178.7-178.2-100.3000113.2G34 L38 F62G34-Y36 PolarHBondContact O-N 3.42Å; Y36-L38 VanDerWaalsContact C-N 3.28Å; Y36-L38 PolarHBondContact O-N 3.45Å; Y36-F62 HydrophobicContact CD1-CZ 4.16Å; Y36-F62 HydrophobicContact CE1-CE2 4.47Å; Y36-F62 AromaticContact CE1-CZ 3.8Å; Y36-F62 HydrophobicContact CE1-CZ 3.8Å
37G84.2Confident87.1Confident1 Ų169.7 Ų69.71%0.0137%0.368CS..G310 helixtrans-75.7-14179.900000114.2I29 G34 E35 G39I29-G37 VanDerWaalsContact CG2-C 3.45Å; I29-G37 WeakPolarHBondContact CG2-O 3.49Å; G34-G37 PolarHBondContact O-N 3.07Å; E35-G37 PolarHBondContact O-N 2.75Å; G37-G39 PolarHBondContact O-N 3.4Å
38L84.9Confident86.1Confident46 Ų4671.9 Ų71.924%0.24138%0.377CS..  trans-76.887.2-176.6-85.5159.8000111.1C26 R30 E35 Y36C26-L38 HydrophobicContact CB-CD2 3.88Å; R30-L38 HydrophobicContact CG-CD1 3.46Å; R30-L38 VanDerWaalsContact CG-CD1 3.46Å; R30-L38 HydrophobicContact CG-CG 4.29Å; E35-L38 WeakPolarHBondContact O-CB 3.29Å; E35-L38 PolarHBondContact O-N 3Å; E35-L38 VanDerWaalsContact O-N 3.12Å; E35-L38 WeakPolarHBondContact OE2-CD1 3.46Å; Y36-L38 VanDerWaalsContact C-N 3.28Å; Y36-L38 PolarHBondContact O-N 3.45Å
39G85.5Confident85.6Confident26 Ų2674.4 Ų74.427%0.26839%0.386SS..  trans-85.1-175.3168.900000113.5G37 L41G37-G39 PolarHBondContact O-N 3.4Å; G39-L41 PolarHBondContact O-N 3.39Å
40R87.7Confident85.3Confident185 Ų18575.4 Ų75.470%0.69839%0.391SS*.  trans-70.793.5171.6-64.5-177.484.1-173.18.3110.5V55 E56R40-V55 WeakPolarHBondContact O-CA 3.43Å; R40-E56 HydrophobicContact CB-CG 4.33Å; R40-E56 VanDerWaalsContact CD-OE1 3.24Å; R40-E56 WeakPolarHBondContact CD-OE1 3.15Å
41L91.2Very high85.2Confident14 Ų1470.1 Ų70.17%0.07337%0.371CS..EExtended strand (participates in β ladder)trans-95.6138.2175.7-171.783.6000110.2Y22 I25 G39 V43 V53 R54 V55 V63Y22-L41 HydrophobicContact CD2-CB 4.49Å; Y22-L41 HydrophobicContact CD2-CD2 3.64Å; Y22-L41 HydrophobicContact CD2-CG 4.22Å; Y22-L41 HydrophobicContact CE2-CB 3.93Å; Y22-L41 HydrophobicContact CE2-CD2 3.77Å; Y22-L41 HydrophobicContact CE2-CG 4.15Å; Y22-L41 WeakPolarHBondContact CE2-O 3.38Å; I25-L41 HydrophobicContact CB-CD2 4.04Å; I25-L41 HydrophobicContact CG2-CD1 4.25Å; I25-L41 HydrophobicContact CG2-CD2 3.64Å; G39-L41 PolarHBondContact O-N 3.39Å; L41-V43 HydrophobicContact CD2-CG2 4.31Å; L41-V53 HydrophobicContact CD1-CG1 3.38Å; L41-V53 HydrophobicContact CG-CG1 4.32Å; L41-R54 CarbonylContact C-O 3.49Å; L41-R54 WeakPolarHBondContact CA-O 3.39Å; L41-V55 HydrophobicContact CD1-CB 4.28Å; L41-V55 HydrophobicContact CD1-CG2 4.48Å; L41-V63 HydrophobicContact CD1-CG2 3.81Å
42K90.9Very high85Confident118 Ų11867.1 Ų67.151%0.51334%0.343SS..EExtended strand (participates in β ladder)trans-132.9135.2166.6-71.9-175.3175.7-174.90109.1R54K42-R54 HydrophobicContact CB-CB 4.25Å; K42-R54 PolarHBondContact N-O 2.78Å; K42-R54 PolarHBondContact O-N 2.79Å
43V91Very high85Confident19 Ų1964.4 Ų64.412%0.11533%0.326CS..EExtended strand (participates in β ladder)trans-113.2126.5176.8179.30000108.1I21 Y22 I25 L41 V51I21-V43 HydrophobicContact CB-CG1 4.16Å; I21-V43 HydrophobicContact CG2-CG1 3.86Å; Y22-V43 HydrophobicContact CD2-CG2 4.16Å; I25-V43 HydrophobicContact CD1-CG2 4Å; L41-V43 HydrophobicContact CD2-CG2 4.31Å; V43-V51 HydrophobicContact CG1-CG1 3.58Å
44H84.8Confident84.9Confident75 Ų7568.2 Ų68.235%0.34734%0.339SS..EExtended strand (participates in β ladder)trans-120.8133.6179.9-63.9-84.8000109.9V52H44-V52 HydrophobicContact CB-CB 4.17Å; H44-V52 PolarHBondContact N-O 2.89Å; H44-V52 PolarHBondContact O-N 3.25Å
45D71.6Confident84.9Confident92 Ų9268.1 Ų68.149%0.49233%0.331SS..  trans51.6138.9175.5-154.5-0.7000115.5C47 I50 V51D45-C47 PolarHBondContact OD1-N 3.34Å; D45-I50 CarbonylContact C-O 3.48Å; D45-V51 WeakPolarHBondContact O-CA 3.06Å
46A62.3Low85Confident10 Ų1066.2 Ų66.28%0.08332%0.323CS..  trans-142.3-4.217800000111.8C16 I21 T48 K49C16-A46 WeakPolarHBondContact O-CB 3.4Å; I21-A46 HydrophobicContact CD1-CB 3.42Å; I21-A46 VanDerWaalsContact CD1-CB 3.42Å; A46-T48 PolarHBondContact O-N 3.02Å; A46-K49 PolarHBondContact O-N 3.37Å
47C65.8Low85Confident122 Ų12265.1 Ų65.182%0.82432%0.324SS*.THydrogen-bonded Turntrans-64.6-29.2-171.1-70.50000112.2D45D45-C47 PolarHBondContact OD1-N 3.34Å
48T72Confident85.2Confident94 Ų9473.4 Ų73.458%0.57736%0.36SS*.THydrogen-bonded Turntrans-102.319.9-176.151.40000114A46 I50A46-T48 PolarHBondContact O-N 3.02Å; T48-I50 PolarHBondContact O-N 3.45Å
49K84.5Confident85.5Confident65 Ų6572.1 Ų72.128%0.28335%0.354SS..SBendtrans59.74.4-168.3-46.4-171.8175.4176.60113.8Q4 L5 P10 I14 A46Q4-K49 CarbonylContact C-O 3.21Å; Q4-K49 WeakPolarHBondContact CA-O 3.49Å; L5-K49 HydrophobicContact CB-CB 4.46Å; L5-K49 PolarHBondContact N-O 3.48Å; P10-K49 PolarHBondContact O-NZ 2.9Å; I14-K49 HydrophobicContact CD1-CB 4.16Å; I14-K49 HydrophobicContact CD1-CD 4.02Å; I14-K49 HydrophobicContact CD1-CG 3.72Å; I14-K49 HydrophobicContact CG1-CG 4.47Å; A46-K49 PolarHBondContact O-N 3.37Å
50I89.3Confident85.8Confident25 Ų2571.7 Ų71.713%0.12835%0.349CS..EExtended strand (participates in β ladder)trans-101.9134174.1-64.5-173.9000108L2 Y3 D45 T48 A96L2-I50 HydrophobicContact CD1-CG2 3.32Å; L2-I50 HydrophobicContact CG-CG2 4.08Å; Y3-I50 CarbonylContact O-C 3.56Å; Y3-I50 WeakPolarHBondContact O-CA 3.26Å; D45-I50 CarbonylContact C-O 3.48Å; T48-I50 PolarHBondContact O-N 3.45Å; I50-A96 HydrophobicContact CD1-CB 4.46Å
51V91.1Very high86.1Confident0 Ų069.3 Ų69.30%034%0.343CS..EExtended strand (participates in β ladder)trans-124.9128-178.5-177.60000109.4Y3 L5 I21 V43 D45 V53Y3-V51 PolarHBondContact N-O 2.78Å; Y3-V51 PolarHBondContact O-N 2.7Å; L5-V51 HydrophobicContact CD1-CG2 3.33Å; L5-V51 HydrophobicContact CG-CG2 3.94Å; I21-V51 HydrophobicContact CD1-CG2 3.79Å; I21-V51 HydrophobicContact CG2-CG1 4.09Å; V43-V51 HydrophobicContact CG1-CG1 3.58Å; D45-V51 WeakPolarHBondContact O-CA 3.06Å; V51-V53 HydrophobicContact CG1-CG2 3.96Å
52V91.8Very high86.2Confident28 Ų2869.7 Ų69.717%0.1734%0.344CS..EExtended strand (participates in β ladder)trans-101.4113.3171-179.70000109.3M1 L2 H44M1-V52 WeakPolarHBondContact O-CA 3.36Å; L2-V52 HydrophobicContact CD1-CG2 3.54Å; H44-V52 HydrophobicContact CB-CB 4.17Å; H44-V52 PolarHBondContact N-O 2.89Å; H44-V52 PolarHBondContact O-N 3.25Å
53V92.7Very high86.3Confident0 Ų064.2 Ų64.20%032%0.321CS..EExtended strand (participates in β ladder)trans-98.6114.5173.9-175.40000109M1 Y3 I25 L41 V51 V63M1-V53 PolarHBondContact N-O 2.85Å; M1-V53 PolarHBondContact O-N 2.81Å; Y3-V53 HydrophobicContact CD2-CB 4.4Å; Y3-V53 HydrophobicContact CD2-CG2 3.89Å; Y3-V53 HydrophobicContact CE2-CB 4.24Å; Y3-V53 HydrophobicContact CE2-CG2 4.09Å; I25-V53 HydrophobicContact CD1-CG2 3.87Å; L41-V53 HydrophobicContact CD1-CG1 3.38Å; L41-V53 HydrophobicContact CG-CG1 4.32Å; V51-V53 HydrophobicContact CG1-CG2 3.96Å; V53-V63 HydrophobicContact CG1-CG1 4.06Å
54R92Very high86.4Confident151 Ų15165.7 Ų65.757%0.5733%0.332SS*.EExtended strand (participates in β ladder)trans-99.7129.9172.5-176.8177-176.7179.61108.8L41 K42L41-R54 CarbonylContact C-O 3.49Å; L41-R54 WeakPolarHBondContact CA-O 3.39Å; K42-R54 HydrophobicContact CB-CB 4.25Å; K42-R54 PolarHBondContact N-O 2.78Å; K42-R54 PolarHBondContact O-N 2.79Å
55V92.1Very high86.8Confident29 Ų2965.7 Ų65.718%0.17634%0.337CS..EExtended strand (participates in β ladder)trans-146.7153.2-179.463.30000108.9R40 L41 C59 A60 V63R40-V55 WeakPolarHBondContact O-CA 3.43Å; L41-V55 HydrophobicContact CD1-CB 4.28Å; L41-V55 HydrophobicContact CD1-CG2 4.48Å; V55-C59 HydrophobicContact CG2-CB 3.64Å; V55-A60 HydrophobicContact CG1-CB 4.08Å; V55-V63 HydrophobicContact CB-CG2 4.22Å; V55-V63 HydrophobicContact CG1-CG2 4.22Å; V55-V63 HydrophobicContact CG2-CG2 3.91Å
56E90.5Very high87.9Confident90 Ų9061.4 Ų61.442%0.42131%0.314SS..  trans-60.4144.5169.4-73.9-179.317800111.4R40 K58 C59 A60R40-E56 HydrophobicContact CB-CG 4.33Å; R40-E56 VanDerWaalsContact CD-OE1 3.24Å; R40-E56 WeakPolarHBondContact CD-OE1 3.15Å; E56-K58 PolarHBondContact O-N 2.79Å; E56-K58 VanDerWaalsContact O-N 3.16Å; E56-C59 PolarHBondContact O-N 2.93Å; E56-A60 PolarHBondContact O-N 2.81Å
57H89.2Confident89.4Confident178 Ų17861.1 Ų61.182%0.82431%0.312SS*.G310 helixtrans-56.5-37.4-174.8-168.4-95.8000112.7C59 A60H57-C59 VanDerWaalsContact C-N 3.29Å; H57-C59 PolarHBondContact O-N 2.93Å; H57-A60 VanDerWaalsContact O-CB 3.28Å; H57-A60 WeakPolarHBondContact O-CB 3.33Å; H57-A60 PolarHBondContact O-N 2.96Å
58K89.3Confident90.7Very high175 Ų17559.6 Ų59.676%0.76130%0.3SS*.G310 helixtrans-64.1-32.8177.8-64.8-177.6179.11800112.9E56E56-K58 PolarHBondContact O-N 2.79Å; E56-K58 VanDerWaalsContact O-N 3.16Å
59C90.9Very high91.7Very high18 Ų1861.1 Ų61.112%0.12230%0.299CS..G310 helixtrans-95.7-7-177.3-57.40000113.2V55 E56 H57 K61 F62 V63V55-C59 HydrophobicContact CG2-CB 3.64Å; E56-C59 PolarHBondContact O-N 2.93Å; H57-C59 VanDerWaalsContact C-N 3.29Å; H57-C59 PolarHBondContact O-N 2.93Å; C59-K61 PolarHBondContact O-N 3.14Å; C59-F62 HydrophobicContact CB-CD2 4.11Å; C59-F62 PolarHBondContact O-N 3.07Å; C59-V63 PolarHBondContact O-N 3.14Å
60A91.9Very high92.1Very high18 Ų1858.6 Ų58.615%0.14929%0.288CS..Hα-helixtrans-52.6-41.4178.800000112.6M1 V55 E56 H57 F62 V63 S64M1-A60 HydrophobicContact CE-CB 3.58Å; V55-A60 HydrophobicContact CG1-CB 4.08Å; E56-A60 PolarHBondContact O-N 2.81Å; H57-A60 VanDerWaalsContact O-CB 3.28Å; H57-A60 WeakPolarHBondContact O-CB 3.33Å; H57-A60 PolarHBondContact O-N 2.96Å; A60-F62 VanDerWaalsContact C-N 3.32Å; A60-F62 PolarHBondContact O-N 3.12Å; A60-V63 PolarHBondContact O-N 3.39Å; A60-S64 PolarHBondContact O-N 3.44Å; A60-S64 PolarHBondContact O-OG 3.24Å
61K92.4Very high92.2Very high135 Ų13564.9 Ų64.959%0.58732%0.315SS*.Hα-helixtrans-60.7-38.8178.667.8179.2-176.6175.20113C59 S64 V65C59-K61 PolarHBondContact O-N 3.14Å; K61-S64 PolarHBondContact O-N 3.09Å; K61-V65 VanDerWaalsContact O-CG2 3.3Å; K61-V65 WeakPolarHBondContact O-CG2 3.46Å; K61-V65 PolarHBondContact O-N 2.72Å
62F93.8Very high92.1Very high21 Ų2171 Ų719%0.09234%0.342CS..Hα-helixtrans-66.5-44.2-179.3-57-57.9000110.4F33 Y36 C59 A60 V65 S66F33-F62 HydrophobicContact CB-CD1 4.49Å; F33-F62 AromaticContact CD1-CD1 3.85Å; F33-F62 HydrophobicContact CD1-CD1 3.85Å; F33-F62 HydrophobicContact CD1-CE1 4.15Å; F33-F62 HydrophobicContact CD2-CB 3.94Å; F33-F62 AromaticContact CD2-CD1 3.75Å; F33-F62 HydrophobicContact CD2-CD1 3.75Å; F33-F62 HydrophobicContact CD2-CG 4.25Å; F33-F62 AromaticContact CE1-CD1 3.92Å; F33-F62 HydrophobicContact CE1-CD1 3.92Å; F33-F62 HydrophobicContact CE1-CE1 4.34Å; F33-F62 HydrophobicContact CE2-CB 3.96Å; F33-F62 AromaticContact CE2-CD1 3.83Å; F33-F62 HydrophobicContact CE2-CD1 3.83Å; F33-F62 HydrophobicContact CE2-CG 4.39Å; F33-F62 AromaticContact CG-CD1 3.76Å; F33-F62 HydrophobicContact CG-CD1 3.76Å; F33-F62 HydrophobicContact CG-CE1 4.36Å; F33-F62 AromaticContact CZ-CD1 3.91Å; F33-F62 HydrophobicContact CZ-CD1 3.91Å; Y36-F62 HydrophobicContact CD1-CZ 4.16Å; Y36-F62 HydrophobicContact CE1-CE2 4.47Å; Y36-F62 AromaticContact CE1-CZ 3.8Å; Y36-F62 HydrophobicContact CE1-CZ 3.8Å; C59-F62 HydrophobicContact CB-CD2 4.11Å; C59-F62 PolarHBondContact O-N 3.07Å; A60-F62 VanDerWaalsContact C-N 3.32Å; A60-F62 PolarHBondContact O-N 3.12Å; F62-V65 PolarHBondContact O-N 3.42Å; F62-S66 VanDerWaalsContact O-CB 3.31Å; F62-S66 WeakPolarHBondContact O-CB 3.37Å; F62-S66 PolarHBondContact O-N 2.84Å; F62-S66 PolarHBondContact O-OG 3.33Å; F62-S66 VanDerWaalsContact O-OG 3.1Å
63V93.4Very high91.9Very high3 Ų369.9 Ų69.92%0.01833%0.334CS..Hα-helixtrans-60.5-51.2175.7-1790000110.5M1 I29 L41 V53 V55 C59 A60 V65 S66 I67M1-V63 HydrophobicContact SD-CG1 4.36Å; I29-V63 HydrophobicContact CD1-CG2 3.91Å; L41-V63 HydrophobicContact CD1-CG2 3.81Å; V53-V63 HydrophobicContact CG1-CG1 4.06Å; V55-V63 HydrophobicContact CB-CG2 4.22Å; V55-V63 HydrophobicContact CG1-CG2 4.22Å; V55-V63 HydrophobicContact CG2-CG2 3.91Å; C59-V63 PolarHBondContact O-N 3.14Å; A60-V63 PolarHBondContact O-N 3.39Å; V63-V65 VanDerWaalsContact C-N 3.27Å; V63-V65 PolarHBondContact O-N 3.19Å; V63-S66 PolarHBondContact O-N 3.1Å; V63-I67 HydrophobicContact CG1-CD1 4.19Å; V63-I67 HydrophobicContact CG1-CG1 3.74Å; V63-I67 WeakPolarHBondContact O-CB 3.24Å; V63-I67 WeakPolarHBondContact O-CG1 3.49Å; V63-I67 PolarHBondContact O-N 2.86Å
64S92.8Very high91.5Very high51 Ų5175.2 Ų75.236%0.35736%0.359SS..Hα-helixtrans-57.4-38.7-178.5-64.40000113.3M1 A60 K61 P68M1-S64 VanDerWaalsContact CE-OG 3.24Å; M1-S64 WeakPolarHBondContact CE-OG 3.24Å; A60-S64 PolarHBondContact O-N 3.44Å; A60-S64 PolarHBondContact O-OG 3.24Å; K61-S64 PolarHBondContact O-N 3.09Å; S64-P68 WeakPolarHBondContact O-CD 3.35Å
65V94Very high91Very high75 Ų7578 Ų7846%0.45537%0.37SS..Hα-helixtrans-77.8-35.1179.5175.30000111.9F33 K61 F62 V63 P68 F69F33-V65 HydrophobicContact CE2-CB 4.19Å; F33-V65 HydrophobicContact CE2-CG1 4.24Å; F33-V65 HydrophobicContact CZ-CB 3.93Å; F33-V65 HydrophobicContact CZ-CG1 3.75Å; K61-V65 VanDerWaalsContact O-CG2 3.3Å; K61-V65 WeakPolarHBondContact O-CG2 3.46Å; K61-V65 PolarHBondContact O-N 2.72Å; F62-V65 PolarHBondContact O-N 3.42Å; V63-V65 VanDerWaalsContact C-N 3.27Å; V63-V65 PolarHBondContact O-N 3.19Å; V65-P68 WeakPolarHBondContact O-CD 3.48Å; V65-F69 HydrophobicContact CG1-CE2 4.42Å; V65-F69 WeakPolarHBondContact O-CD2 3.03Å; V65-F69 WeakPolarHBondContact O-CE2 3.49Å
66S93.9Very high90.7Very high1 Ų178 Ų781%0.00737%0.37CS..Hα-helixtrans-80.7-27.7-178-65.50000114.1I29 T32 F33 F62 V63 F69I29-S66 WeakPolarHBondContact CA-OG 3.48Å; T32-S66 PolarHBondContact OG1-OG 3.33Å; F33-S66 VanDerWaalsContact CE2-OG 3.32Å; F33-S66 WeakPolarHBondContact CE2-OG 3.24Å; F62-S66 VanDerWaalsContact O-CB 3.31Å; F62-S66 WeakPolarHBondContact O-CB 3.37Å; F62-S66 PolarHBondContact O-N 2.84Å; F62-S66 PolarHBondContact O-OG 3.33Å; F62-S66 VanDerWaalsContact O-OG 3.1Å; V63-S66 PolarHBondContact O-N 3.1Å; S66-F69 PolarHBondContact O-N 3.08Å; S66-F69 VanDerWaalsContact O-N 3.09Å
67I93.5Very high90.6Very high5 Ų577 Ų773%0.02637%0.371CS..G310 helixtrans-53.9-46.4-176.5-78.4-88.7000113.4Y3 I25 V63 F69 I70 F80Y3-I67 HydrophobicContact CD1-CG2 4.23Å; Y3-I67 HydrophobicContact CE1-CG1 4.48Å; Y3-I67 HydrophobicContact CE1-CG2 3.81Å; Y3-I67 HydrophobicContact CE2-CD1 4.18Å; Y3-I67 HydrophobicContact CE2-CG1 4.47Å; I25-I67 HydrophobicContact CD1-CD1 4.12Å; I25-I67 HydrophobicContact CG1-CD1 4.04Å; V63-I67 HydrophobicContact CG1-CD1 4.19Å; V63-I67 HydrophobicContact CG1-CG1 3.74Å; V63-I67 WeakPolarHBondContact O-CB 3.24Å; V63-I67 WeakPolarHBondContact O-CG1 3.49Å; V63-I67 PolarHBondContact O-N 2.86Å; I67-F69 PolarHBondContact O-N 3.32Å; I67-F69 VanDerWaalsContact O-N 3.14Å; I67-I70 HydrophobicContact CD1-CD1 4.12Å; I67-I70 WeakPolarHBondContact O-CB 3.39Å; I67-I70 PolarHBondContact O-N 2.94Å; I67-F80 HydrophobicContact CD1-CD1 4.02Å; I67-F80 HydrophobicContact CD1-CE1 4.32Å; I67-F80 HydrophobicContact CD1-CG 4.37Å; I67-F80 HydrophobicContact CG2-CB 3.35Å; I67-F80 HydrophobicContact CG2-CD1 4.35Å; I67-F80 HydrophobicContact CG2-CG 3.9Å
68P93.2Very high90.7Very high90 Ų9068.7 Ų68.758%0.58433%0.332SS*.G310 helixtrans-60.6-21.8179.1-25.535.2000114.8S64 V65 I70S64-P68 WeakPolarHBondContact O-CD 3.35Å; V65-P68 WeakPolarHBondContact O-CD 3.48Å; P68-I70 VanDerWaalsContact C-N 3.28Å
69F92.6Very high90.8Very high126 Ų12665.2 Ų65.255%0.55332%0.321SS*.G310 helixtrans-81.5-8.5178.8-56.2-58000113.1T32 V65 S66 I67 K71T32-F69 HydrophobicContact CG2-CE2 4.31Å; V65-F69 HydrophobicContact CG1-CE2 4.42Å; V65-F69 WeakPolarHBondContact O-CD2 3.03Å; V65-F69 WeakPolarHBondContact O-CE2 3.49Å; S66-F69 PolarHBondContact O-N 3.08Å; S66-F69 VanDerWaalsContact O-N 3.09Å; I67-F69 PolarHBondContact O-N 3.32Å; I67-F69 VanDerWaalsContact O-N 3.14Å; F69-K71 PolarHBondContact O-N 2.8Å
70I92.8Very high90.9Very high11 Ų1165.2 Ų65.26%0.05632%0.319CS..  trans-79.591.9175.4-53.3168000108.7A24 I25 A28 I67 P68 I73 V78 F80A24-I70 HydrophobicContact CB-CG2 4.17Å; I25-I70 HydrophobicContact CB-CD1 4.21Å; I25-I70 HydrophobicContact CG1-CD1 3.6Å; A28-I70 HydrophobicContact CB-CD1 4.14Å; A28-I70 HydrophobicContact CB-CG1 3.51Å; I67-I70 HydrophobicContact CD1-CD1 4.12Å; I67-I70 WeakPolarHBondContact O-CB 3.39Å; I67-I70 PolarHBondContact O-N 2.94Å; P68-I70 VanDerWaalsContact C-N 3.28Å; I70-I73 HydrophobicContact CG2-CD1 4.41Å; I70-I73 HydrophobicContact CG2-CG1 4Å; I70-V78 HydrophobicContact CG2-CG2 4.49Å; I70-F80 HydrophobicContact CB-CD2 4.33Å; I70-F80 HydrophobicContact CB-CE2 4.17Å; I70-F80 HydrophobicContact CD1-CE2 4.29Å; I70-F80 HydrophobicContact CG2-CD2 4.44Å; I70-F80 HydrophobicContact CG2-CE2 3.83Å
71K91.6Very high90.9Very high157 Ų15769.2 Ų69.268%0.68333%0.333SS*.  trans-89.3-23.4179.7-62.9-176.1179.5-177.70113.9F69 T77 V78F69-K71 PolarHBondContact O-N 2.8Å; K71-T77 WeakPolarHBondContact O-CA 3.31Å; K71-T77 WeakPolarHBondContact O-CG2 3.42Å; K71-V78 CarbonylContact C-O 3.56Å; K71-V78 PolarHBondContact O-N 3.31Å
72K89.5Confident90.9Very high130 Ų13065.8 Ų65.857%0.56533%0.326SS*.EExtended strand (participates in β ladder)trans-143.5130.6-173.8-159.2175.3-174.3173.80110.5H74 C76K72-H74 VanDerWaalsContact CE-O 3.24Å; K72-H74 WeakPolarHBondContact CE-O 3.32Å; K72-C76 WeakPolarHBondContact CA-O 3.46Å; K72-C76 WeakPolarHBondContact CG-O 3.42Å
73I88.1Confident90.9Very high3 Ų366.5 Ų66.52%0.01533%0.33CS..EExtended strand (participates in β ladder)trans-113.9109.7167.3-64.3172.2000106.3L5 C16 R20 I21 A24 I70 R75 C76 V78 F80L5-I73 HydrophobicContact CD2-CD1 4.09Å; C16-I73 HydrophobicContact CB-CG2 4.26Å; C16-I73 WeakPolarHBondContact SG-CG2 3.48Å; R20-I73 HydrophobicContact CB-CG2 4.17Å; I21-I73 HydrophobicContact CG1-CD1 4.16Å; A24-I73 HydrophobicContact CB-CD1 4.42Å; A24-I73 HydrophobicContact CB-CG1 3.86Å; I70-I73 HydrophobicContact CG2-CD1 4.41Å; I70-I73 HydrophobicContact CG2-CG1 4Å; I73-R75 PolarHBondContact O-N 3.28Å; I73-R75 VanDerWaalsContact O-N 3.07Å; I73-C76 PolarHBondContact N-O 2.89Å; I73-C76 PolarHBondContact O-N 3.34Å; I73-V78 HydrophobicContact CB-CG2 4.12Å; I73-V78 HydrophobicContact CD1-CG2 3.74Å; I73-V78 HydrophobicContact CG1-CG2 3.58Å; I73-F80 HydrophobicContact CD1-CE2 3.73Å; I73-F80 HydrophobicContact CD1-CZ 3.72Å
74H83.2Confident90.9Very high113 Ų11369.8 Ų69.852%0.52334%0.342SS..THydrogen-bonded Turntrans57.8-109-177.1-165.266000112.3K72K72-H74 VanDerWaalsContact CE-O 3.24Å; K72-H74 WeakPolarHBondContact CE-O 3.32Å
75R82.8Confident90.9Very high209 Ų20971.4 Ų71.479%0.78935%0.35SS*.THydrogen-bonded Turntrans-98.6-8179.6-67.5179.7-175.8-175.70.3113.4I73I73-R75 PolarHBondContact O-N 3.28Å; I73-R75 VanDerWaalsContact O-N 3.07Å
76C85Confident90.7Very high28 Ų2869.2 Ų69.219%0.18934%0.343CS..EExtended strand (participates in β ladder)trans-99.9128.7-175.9-59.70000110.9K72 I73 V78K72-C76 WeakPolarHBondContact CA-O 3.46Å; K72-C76 WeakPolarHBondContact CG-O 3.42Å; I73-C76 PolarHBondContact N-O 2.89Å; I73-C76 PolarHBondContact O-N 3.34Å; C76-V78 HydrophobicContact CB-CG1 4.27Å
77T89.4Confident90.3Very high71 Ų7173.7 Ų73.744%0.43639%0.389SS..EExtended strand (participates in β ladder)trans-73.6126.6166.1-53.50000108T7 D8 K71T7-T77 WeakPolarHBondContact CA-O 3.32Å; D8-T77 PolarHBondContact N-O 3.03Å; K71-T77 WeakPolarHBondContact O-CA 3.31Å; K71-T77 WeakPolarHBondContact O-CG2 3.42Å
78V90Very high90Very high2 Ų275.5 Ų75.51%0.01240%0.402CS..EExtended strand (participates in β ladder)trans-134.3149.2-173.9-69.50000111.1L5 L6 T7 I70 K71 I73 C76 F80L5-V78 HydrophobicContact CD2-CB 3.95Å; L5-V78 HydrophobicContact CD2-CG1 4Å; L5-V78 HydrophobicContact CD2-CG2 4.39Å; L6-V78 CarbonylContact O-C 3.53Å; L6-V78 VanDerWaalsContact O-CA 3.29Å; L6-V78 WeakPolarHBondContact O-CA 3.42Å; T7-V78 HydrophobicContact CG2-CG1 3.81Å; I70-V78 HydrophobicContact CG2-CG2 4.49Å; K71-V78 CarbonylContact C-O 3.56Å; K71-V78 PolarHBondContact O-N 3.31Å; I73-V78 HydrophobicContact CB-CG2 4.12Å; I73-V78 HydrophobicContact CD1-CG2 3.74Å; I73-V78 HydrophobicContact CG1-CG2 3.58Å; C76-V78 HydrophobicContact CB-CG1 4.27Å; V78-F80 HydrophobicContact CG2-CE2 4.21Å
79I91.9Very high89.7Confident102 Ų10276 Ų7652%0.52340%0.398SS..EExtended strand (participates in β ladder)trans-127.3130.2169.9-60.6174.1000107.6L6L6-I79 HydrophobicContact CB-CB 4.32Å; L6-I79 PolarHBondContact N-O 3.01Å; L6-I79 PolarHBondContact O-N 3.07Å
80F92.4Very high89.5Confident18 Ų1879.5 Ų79.58%0.07941%0.407CS..EExtended strand (participates in β ladder)trans-90.2109175.3-78.1-105.8000110Y3 L5 I21 I67 I70 I73 V78Y3-F80 HydrophobicContact CD1-CB 4.11Å; Y3-F80 HydrophobicContact CD1-CD1 4.36Å; Y3-F80 HydrophobicContact CG-CD1 4.03Å; L5-F80 HydrophobicContact CD2-CD1 4.35Å; L5-F80 HydrophobicContact CD2-CD2 4.06Å; L5-F80 HydrophobicContact CD2-CE1 3.89Å; L5-F80 HydrophobicContact CD2-CE2 3.57Å; L5-F80 HydrophobicContact CD2-CG 4.42Å; L5-F80 HydrophobicContact CD2-CZ 3.48Å; L5-F80 VanDerWaalsContact CD2-CZ 3.48Å; L5-F80 HydrophobicContact CG-CE1 4.32Å; L5-F80 HydrophobicContact CG-CZ 4.35Å; I21-F80 HydrophobicContact CG2-CE1 4.27Å; I21-F80 HydrophobicContact CG2-CZ 4.06Å; I67-F80 HydrophobicContact CD1-CD1 4.02Å; I67-F80 HydrophobicContact CD1-CE1 4.32Å; I67-F80 HydrophobicContact CD1-CG 4.37Å; I67-F80 HydrophobicContact CG2-CB 3.35Å; I67-F80 HydrophobicContact CG2-CD1 4.35Å; I67-F80 HydrophobicContact CG2-CG 3.9Å; I70-F80 HydrophobicContact CB-CD2 4.33Å; I70-F80 HydrophobicContact CB-CE2 4.17Å; I70-F80 HydrophobicContact CD1-CE2 4.29Å; I70-F80 HydrophobicContact CG2-CD2 4.44Å; I70-F80 HydrophobicContact CG2-CE2 3.83Å; I73-F80 HydrophobicContact CD1-CE2 3.73Å; I73-F80 HydrophobicContact CD1-CZ 3.72Å; V78-F80 HydrophobicContact CG2-CE2 4.21Å
81K92.5Very high89.4Confident102 Ų10280.6 Ų80.644%0.44342%0.416SS..EExtended strand (participates in β ladder)trans-90120170.6179.1-179.9176.1-175.30109.6Y3 Q4 L6 I83Y3-K81 CarbonylContact C-O 3.56Å; Y3-K81 VanDerWaalsContact CA-O 3.24Å; Y3-K81 WeakPolarHBondContact CA-O 3.19Å; Q4-K81 HydrophobicContact CB-CB 4.33Å; Q4-K81 PolarHBondContact N-O 3.2Å; Q4-K81 PolarHBondContact O-N 3.4Å; L6-K81 HydrophobicContact CD1-CB 4.09Å; L6-K81 HydrophobicContact CD1-CD 4.27Å; L6-K81 HydrophobicContact CG-CB 4.36Å; K81-I83 PolarHBondContact O-N 2.91Å
82C93.4Very high89.3Confident64 Ų6473.4 Ų73.443%0.43239%0.385SS..EExtended strand (participates in β ladder)trans-72.9122174.9-168.90000110.1Y3 V85Y3-C82 HydrophobicContact CD1-CB 3.96Å; Y3-C82 HydrophobicContact CE1-CB 3.73Å; C82-V85 VanDerWaalsContact SG-CG2 3.58Å
83I93Very high89.3Confident36 Ų3669.6 Ų69.619%0.18538%0.378CS..EExtended strand (participates in β ladder)trans-95.3-43.5175.6-61165.8000110.3L2 Q4 K81 H99L2-I83 HydrophobicContact CB-CB 4.48Å; L2-I83 HydrophobicContact CD2-CB 3.9Å; L2-I83 HydrophobicContact CD2-CD1 4.18Å; L2-I83 HydrophobicContact CD2-CG2 3.84Å; L2-I83 HydrophobicContact CG-CB 4.16Å; L2-I83 HydrophobicContact CG-CD1 4.25Å; L2-I83 PolarHBondContact O-N 3.26Å; Q4-I83 HydrophobicContact CB-CD1 3.65Å; Q4-I83 HydrophobicContact CB-CG1 4.07Å; K81-I83 PolarHBondContact O-N 2.91Å; I83-H99 HydrophobicContact CG2-CB 3.94Å
84Y93.4Very high89.5Confident71 Ų7177.6 Ų77.628%0.27841%0.408SS..EExtended strand (participates in β ladder)trans-154.9139.1-172.7179.8-105000112.7M1 L2 C91 A95M1-Y84 CarbonylContact C-O 3.58Å; M1-Y84 WeakPolarHBondContact CA-O 3.15Å; L2-Y84 PolarHBondContact N-O 3.2Å; L2-Y84 PolarHBondContact O-N 3.48Å; Y84-C91 HydrophobicContact CE1-CB 3.85Å; Y84-C91 WeakPolarHBondContact OH-CB 3.37Å; Y84-A95 HydrophobicContact CD1-CB 4Å; Y84-A95 HydrophobicContact CD2-CB 4.11Å; Y84-A95 HydrophobicContact CG-CB 3.66Å
85V92.5Very high89.9Confident85 Ų8572.5 Ų72.552%0.51539%0.385SS..  trans-120.6126.5172.6-177.90000108.4M1 C82M1-V85 HydrophobicContact CE-CG1 4.22Å; M1-V85 HydrophobicContact CG-CG1 4.08Å; M1-V85 HydrophobicContact CG-CG2 4.21Å; C82-V85 VanDerWaalsContact SG-CG2 3.58Å
86G89.2Confident90.2Very high30 Ų3063.5 Ų63.531%0.30936%0.356SS..  trans-169.3165.3179.200000112.1
87G86.3Confident90.5Very high94 Ų9467.3 Ų67.397%0.96937%0.373SS*.SBendtrans-88.3-12-17600000115.5
88S88Confident90.7Very high44 Ų4470.8 Ų70.831%0.30838%0.378SS..  trans-116.4130.4-176176.50000112.1R90 C91 C92S88-R90 PolarHBondContact O-N 2.91Å; S88-R90 PolarHBondContact OG-N 3.4Å; S88-C91 WeakPolarHBondContact O-CB 3.47Å; S88-C91 PolarHBondContact O-N 3.5Å; S88-C92 PolarHBondContact O-N 3.33Å; S88-C92 VanDerWaalsContact O-N 3.14Å
89M85.7Confident90.7Very high101 Ų10171.6 Ų71.650%0.49838%0.382SS..Hα-helixtrans-61.3-32.4175.5-166175.5-73.500112C91 C92 A93M89-C91 VanDerWaalsContact C-N 3.29Å; M89-C91 PolarHBondContact O-N 3.45Å; M89-C92 PolarHBondContact O-N 3.03Å; M89-A93 PolarHBondContact O-N 3.45Å
90R89.7Confident90.6Very high198 Ų19871.5 Ų71.575%0.74738%0.379SS*.Hα-helixtrans-62.8-34.9174.2-72.6-174.8-84.1169.4-6.1112.3S88 R94S88-R90 PolarHBondContact O-N 2.91Å; S88-R90 PolarHBondContact OG-N 3.4Å; R90-R94 WeakPolarHBondContact O-CG 3.47Å; R90-R94 PolarHBondContact O-N 3.47Å
91C90.8Very high90.6Very high35 Ų3579 Ų7924%0.23641%0.407CS..Hα-helixtrans-74.6-39.7176-61.10000111.2Y84 S88 M89 A93 R94 A95Y84-C91 HydrophobicContact CE1-CB 3.85Å; Y84-C91 WeakPolarHBondContact OH-CB 3.37Å; S88-C91 WeakPolarHBondContact O-CB 3.47Å; S88-C91 PolarHBondContact O-N 3.5Å; M89-C91 VanDerWaalsContact C-N 3.29Å; M89-C91 PolarHBondContact O-N 3.45Å; C91-A93 VanDerWaalsContact C-N 3.33Å; C91-A93 PolarHBondContact O-N 3.25Å; C91-R94 PolarHBondContact O-N 3.38Å; C91-A95 WeakPolarHBondContact O-CB 3.4Å; C91-A95 PolarHBondContact O-N 3.34Å
92C88.7Confident90.5Very high5 Ų578.7 Ų78.73%0.03441%0.407CS..Hα-helixtrans-59-43.8172.7-65.10000111.9S88 M89 A95 A96S88-C92 PolarHBondContact O-N 3.33Å; S88-C92 VanDerWaalsContact O-N 3.14Å; M89-C92 PolarHBondContact O-N 3.03Å; C92-A95 PolarHBondContact O-N 2.89Å; C92-A96 WeakPolarHBondContact O-CB 3.42Å; C92-A96 PolarHBondContact O-N 3.45Å
93A88.6Confident90.3Very high51 Ų5177.9 Ų77.942%0.42140%0.397SS..Hα-helixtrans-62-45.5177.700000111.9M89 C91 A95 A96 I97M89-A93 PolarHBondContact O-N 3.45Å; C91-A93 VanDerWaalsContact C-N 3.33Å; C91-A93 PolarHBondContact O-N 3.25Å; A93-A95 VanDerWaalsContact C-N 3.34Å; A93-A95 PolarHBondContact O-N 3.17Å; A93-A96 PolarHBondContact O-N 3.01Å; A93-I97 WeakPolarHBondContact O-CG1 3.33Å; A93-I97 PolarHBondContact O-N 2.7Å
94R92.5Very high90Very high170 Ų17079.7 Ų79.764%0.64241%0.407SS*.Hα-helixtrans-60.9-42.1174.8-76.9-173.7-78.9-173.4-0.1112.3R90 C91 I97 R98R90-R94 WeakPolarHBondContact O-CG 3.47Å; R90-R94 PolarHBondContact O-N 3.47Å; C91-R94 PolarHBondContact O-N 3.38Å; R94-I97 PolarHBondContact O-N 2.96Å; R94-R98 WeakPolarHBondContact O-CB 3.38Å; R94-R98 PolarHBondContact O-N 3.13Å
95A91.7Very high89.8Confident6 Ų681.5 Ų81.55%0.0543%0.425CS..Hα-helixtrans-64.5-39.4176.500000112.1L2 Y84 C91 C92 A93 R98 H99L2-A95 HydrophobicContact CD2-CB 4.17Å; Y84-A95 HydrophobicContact CD1-CB 4Å; Y84-A95 HydrophobicContact CD2-CB 4.11Å; Y84-A95 HydrophobicContact CG-CB 3.66Å; C91-A95 WeakPolarHBondContact O-CB 3.4Å; C91-A95 PolarHBondContact O-N 3.34Å; C92-A95 PolarHBondContact O-N 2.89Å; A93-A95 VanDerWaalsContact C-N 3.34Å; A93-A95 PolarHBondContact O-N 3.17Å; A95-R98 PolarHBondContact O-N 3.23Å; A95-H99 WeakPolarHBondContact O-CB 3.45Å; A95-H99 PolarHBondContact O-N 2.97Å
96A89.9Confident89.5Confident20 Ų2084.4 Ų84.417%0.16544%0.436CS..Hα-helixtrans-63.7-44.6176.600000111.9L2 I50 C92 A93 R98 H99 H100L2-A96 HydrophobicContact CD1-CB 4.3Å; L2-A96 HydrophobicContact CD2-CB 3.92Å; I50-A96 HydrophobicContact CD1-CB 4.46Å; C92-A96 WeakPolarHBondContact O-CB 3.42Å; C92-A96 PolarHBondContact O-N 3.45Å; A93-A96 PolarHBondContact O-N 3.01Å; A96-R98 PolarHBondContact O-N 2.98Å; A96-H99 PolarHBondContact O-N 3.01Å; A96-H100 WeakPolarHBondContact O-CB 3.43Å; A96-H100 PolarHBondContact O-N 3.39Å
97I90.9Very high89.1Confident109 Ų10992.1 Ų92.156%0.55946%0.456SS*.Hα-helixtrans-62-44.9176-65.9166000110.6A93 R94 H100 R101A93-I97 WeakPolarHBondContact O-CG1 3.33Å; A93-I97 PolarHBondContact O-N 2.7Å; R94-I97 PolarHBondContact O-N 2.96Å; I97-H100 PolarHBondContact O-N 3.27Å; I97-R101 WeakPolarHBondContact O-CG 3.3Å; I97-R101 PolarHBondContact O-N 2.87Å
98R93.2Very high89Confident143 Ų14393 Ų9354%0.5444%0.438SS..Hα-helixtrans-60.1-49.3177.6-175-178.967.7-1600.4111.3R94 A95 A96 H100 R101 E102R94-R98 WeakPolarHBondContact O-CB 3.38Å; R94-R98 PolarHBondContact O-N 3.13Å; A95-R98 PolarHBondContact O-N 3.23Å; A96-R98 PolarHBondContact O-N 2.98Å; R98-H100 VanDerWaalsContact C-N 3.3Å; R98-H100 PolarHBondContact O-N 2.74Å; R98-R101 PolarHBondContact O-N 3.4Å; R98-R101 VanDerWaalsContact O-N 3.17Å; R98-E102 VanDerWaalsContact CG-OE1 3.3Å; R98-E102 WeakPolarHBondContact CG-OE1 3.37Å; R98-E102 IonicContact NE-OE1 3.76Å; R98-E102 WeakPolarHBondContact O-CG 3.46Å; R98-E102 PolarHBondContact O-N 3.33Å
99H91.4Very high88.2Confident20 Ų2096.3 Ų96.39%0.09346%0.458CS..Hα-helixtrans-57.9-43.2177.5-17580.9000111.6Q4 I83 A95 A96 R101 E102 E103Q4-H99 PolarHBondContact OE1-NE2 2.87Å; I83-H99 HydrophobicContact CG2-CB 3.94Å; A95-H99 WeakPolarHBondContact O-CB 3.45Å; A95-H99 PolarHBondContact O-N 2.97Å; A96-H99 PolarHBondContact O-N 3.01Å; H99-R101 PolarHBondContact O-N 3.31Å; H99-E102 PolarHBondContact O-N 3.33Å; H99-E103 IonicContact CD2-OE1 3.79Å; H99-E103 IonicContact CE1-OE1 3.78Å; H99-E103 VanDerWaalsContact NE2-CD 3.35Å; H99-E103 IonicContact NE2-OE1 2.9Å; H99-E103 PolarHBondContact NE2-OE1 3.18Å; H99-E103 PolarHBondContact O-N 3.21Å
100H89.4Confident87.2Confident99 Ų99102.8 Ų102.846%0.45848%0.477SS..Hα-helixtrans-63.3-41.4177.7-170.558.3000112.5A96 I97 R98 E103 L104A96-H100 WeakPolarHBondContact O-CB 3.43Å; A96-H100 PolarHBondContact O-N 3.39Å; I97-H100 PolarHBondContact O-N 3.27Å; R98-H100 VanDerWaalsContact C-N 3.3Å; R98-H100 PolarHBondContact O-N 2.74Å; H100-E103 PolarHBondContact O-N 2.76Å; H100-L104 WeakPolarHBondContact O-CG 3.3Å; H100-L104 PolarHBondContact O-N 3.25Å
101R90.9Very high85.8Confident176 Ų17698.5 Ų98.566%0.66448%0.478SS*.Hα-helixtrans-63.9-42.1175.6-70.1175.473.2970.9112.1I97 R98 H99 L104 T105I97-R101 WeakPolarHBondContact O-CG 3.3Å; I97-R101 PolarHBondContact O-N 2.87Å; R98-R101 PolarHBondContact O-N 3.4Å; R98-R101 VanDerWaalsContact O-N 3.17Å; H99-R101 PolarHBondContact O-N 3.31Å; R101-L104 PolarHBondContact O-N 2.93Å; R101-T105 WeakPolarHBondContact O-CB 3.17Å; R101-T105 PolarHBondContact O-N 3.4Å; R101-T105 PolarHBondContact O-OG1 3.05Å
102E91.6Very high84.3Confident96 Ų96103.3 Ų103.345%0.44950%0.501SS..Hα-helixtrans-61-46.2176-71.6167-171.200110.8R98 H99 L104 T105 I106R98-E102 VanDerWaalsContact CG-OE1 3.3Å; R98-E102 WeakPolarHBondContact CG-OE1 3.37Å; R98-E102 IonicContact NE-OE1 3.76Å; R98-E102 WeakPolarHBondContact O-CG 3.46Å; R98-E102 PolarHBondContact O-N 3.33Å; H99-E102 PolarHBondContact O-N 3.33Å; E102-L104 PolarHBondContact O-N 3.42Å; E102-T105 PolarHBondContact O-N 3.37Å; E102-I106 WeakPolarHBondContact O-CG1 3.5Å; E102-I106 PolarHBondContact O-N 3.38Å; E102-I106 VanDerWaalsContact O-N 3.13Å
103E88.2Confident83Confident46 Ų46108.9 Ų108.922%0.21554%0.537CS..Hα-helixtrans-61.1-43.1176.3-78.6-168.8166.500113.1Q4 H99 H100 T105 I106 R107Q4-E103 PolarHBondContact NE2-OE1 3.06Å; Q4-E103 PolarHBondContact OE1-OE1 3.42Å; H99-E103 IonicContact CD2-OE1 3.79Å; H99-E103 IonicContact CE1-OE1 3.78Å; H99-E103 VanDerWaalsContact NE2-CD 3.35Å; H99-E103 IonicContact NE2-OE1 2.9Å; H99-E103 PolarHBondContact NE2-OE1 3.18Å; H99-E103 PolarHBondContact O-N 3.21Å; H100-E103 PolarHBondContact O-N 2.76Å; E103-T105 VanDerWaalsContact C-N 3.32Å; E103-T105 PolarHBondContact O-N 3Å; E103-I106 PolarHBondContact O-N 3.23Å; E103-R107 WeakPolarHBondContact O-CB 3.5Å; E103-R107 WeakPolarHBondContact O-CG 3.49Å; E103-R107 PolarHBondContact O-N 2.9Å
104L87.4Confident81.4Confident75 Ų75113.5 Ų113.539%0.39356%0.56SS.*Hα-helixtrans-63-40.1176.6-73.2171.1000111.7H100 R101 E102 I106 R107 L108H100-L104 WeakPolarHBondContact O-CG 3.3Å; H100-L104 PolarHBondContact O-N 3.25Å; R101-L104 PolarHBondContact O-N 2.93Å; E102-L104 PolarHBondContact O-N 3.42Å; L104-I106 VanDerWaalsContact C-N 3.26Å; L104-I106 PolarHBondContact O-N 3.06Å; L104-R107 PolarHBondContact O-N 3.29Å; L104-L108 HydrophobicContact CB-CD1 4.41Å; L104-L108 WeakPolarHBondContact O-CB 3.41Å; L104-L108 WeakPolarHBondContact O-CD1 3.28Å; L104-L108 VanDerWaalsContact O-CG 3.26Å; L104-L108 WeakPolarHBondContact O-CG 3.42Å; L104-L108 PolarHBondContact O-N 3.14Å
105T88.3Confident79Confident109 Ų109112.2 Ų112.267%0.66960%0.6SS**Hα-helixtrans-65.4-32.3-179.7-52.20000111.8R101 E102 E103R101-T105 WeakPolarHBondContact O-CB 3.17Å; R101-T105 PolarHBondContact O-N 3.4Å; R101-T105 PolarHBondContact O-OG1 3.05Å; E102-T105 PolarHBondContact O-N 3.37Å; E103-T105 VanDerWaalsContact C-N 3.32Å; E103-T105 PolarHBondContact O-N 3Å
106I86.4Confident78.4Confident146 Ų146117.6 Ų117.675%0.74963%0.628SS**Hα-helixtrans-77.2-37.2176.1-64.7164.6000111.4E102 E103 L104E102-I106 WeakPolarHBondContact O-CG1 3.5Å; E102-I106 PolarHBondContact O-N 3.38Å; E102-I106 VanDerWaalsContact O-N 3.13Å; E103-I106 PolarHBondContact O-N 3.23Å; L104-I106 VanDerWaalsContact C-N 3.26Å; L104-I106 PolarHBondContact O-N 3.06Å
107R82.2Confident77.8Confident192 Ų192122.7 Ų122.773%0.72565%0.652SS**Hα-helixtrans-83.6-29.4-174.9-72.7-177.3-178.1-160.80.6114.2E103 L104E103-R107 WeakPolarHBondContact O-CB 3.5Å; E103-R107 WeakPolarHBondContact O-CG 3.49Å; E103-R107 PolarHBondContact O-N 2.9Å; L104-R107 PolarHBondContact O-N 3.29Å
108L82.6Confident77Confident112 Ų112123.4 Ų123.459%0.58666%0.658SS**SBendtrans-72130.1177.5-71.6164.8000108.7L104 R110L104-L108 HydrophobicContact CB-CD1 4.41Å; L104-L108 WeakPolarHBondContact O-CB 3.41Å; L104-L108 WeakPolarHBondContact O-CD1 3.28Å; L104-L108 VanDerWaalsContact O-CG 3.26Å; L104-L108 WeakPolarHBondContact O-CG 3.42Å; L104-L108 PolarHBondContact O-N 3.14Å; L108-R110 PolarHBondContact O-N 3.16Å
109P71.7Confident76.1Confident113 Ų113122.3 Ų122.373%0.73467%0.665SS**  trans-56.4133.7171.123.7-30.3000107.3S111P109-S111 VanDerWaalsContact C-N 3.29Å; P109-S111 PolarHBondContact O-N 2.95Å
110R65.7Low75.1Confident237 Ų237128.7 Ų128.789%0.89470%0.7SS**  trans-54.9101.7172.2-72.4-178.9175.7154.1-1.2106.2L108 N112L108-R110 PolarHBondContact O-N 3.16Å; R110-N112 VanDerWaalsContact C-N 3.31Å; R110-N112 PolarHBondContact O-N 3.04Å
111S59.1Low74.2Confident109 Ų109130.7 Ų130.776%0.76272%0.716SS**  trans-64.310417258.40000104.5P109 P113P109-S111 VanDerWaalsContact C-N 3.29Å; P109-S111 PolarHBondContact O-N 2.95Å; S111-P113 WeakPolarHBondContact O-CD 3.24Å; S111-P113 VanDerWaalsContact O-N 3.14Å
112N60Low73Confident135 Ų135127.4 Ų127.472%0.72272%0.72SS**  trans-53.3124.3166.3-78.2-8.9000105.4R110 T114R110-N112 VanDerWaalsContact C-N 3.31Å; R110-N112 PolarHBondContact O-N 3.04Å; N112-T114 PolarHBondContact O-N 3.38Å
113P60.8Low71.6Confident122 Ų122129.8 Ų129.879%0.79274%0.741SS**  trans-64.999.817327.6-29.7000104.9S111 G115S111-P113 WeakPolarHBondContact O-CD 3.24Å; S111-P113 VanDerWaalsContact O-N 3.14Å; P113-G115 VanDerWaalsContact C-N 3.27Å; P113-G115 PolarHBondContact O-N 3.37Å
114T55.5Low70.2Confident148 Ų148136.8 Ų136.891%0.90879%0.785SS**  trans-64.598.8166.739.80000106.1N112N112-T114 PolarHBondContact O-N 3.38Å
115G42.1Very low68.6Low144 Ų144142.5 Ų142.5100%1.48582%0.82SS**  trans-132.80163.800000107.3P113P113-G115 VanDerWaalsContact C-N 3.27Å; P113-G115 PolarHBondContact O-N 3.37Å

Retrieved 115 of 115 residues in 52.2 ms (Link to these results)

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