F6TCB7_MACMU Loading...

Bis(5'-adenosyl)-triphosphatase

AlphaFold DB , UniProt , Accession F6TCB7, Species MACMU (Macaca mulatta, Rhesus macaque), Gene FHIT, Length 149 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
1M61Low90.2Very high183 Ų18388.6 Ų88.690%0.90143%0.434SS*.  0135.20-71.6-175-17900107.9P12 K18M1-P12 WeakPolarHBondContact O-CG 3.48Å; M1-K18 PolarHBondContact SD-NZ 3.44Å
2S79.1Confident90.8Very high91 Ų9186.9 Ų86.964%0.63644%0.435SS*.  trans-113.3141.6175.945.10000109.5
3F95.6Very high91.3Very high19 Ų1983.8 Ų83.88%0.08343%0.427CS..EExtended strand (participates in β ladder)trans-103.1146.4177.2-61.3-97.9000109.1I10 P12 V15 K18 F23 L41F3-I10 HydrophobicContact CB-CB 4.1Å; F3-I10 PolarHBondContact N-O 3.45Å; F3-I10 PolarHBondContact O-N 2.99Å; F3-P12 HydrophobicContact CE2-CB 4.34Å; F3-P12 HydrophobicContact CE2-CG 4.35Å; F3-V15 HydrophobicContact CD2-CB 4.37Å; F3-V15 HydrophobicContact CD2-CG2 3.73Å; F3-V15 HydrophobicContact CE1-CG1 4Å; F3-V15 HydrophobicContact CE2-CB 4.06Å; F3-V15 HydrophobicContact CE2-CG1 4.03Å; F3-V15 HydrophobicContact CE2-CG2 3.94Å; F3-V15 HydrophobicContact CG-CG2 4.06Å; F3-V15 HydrophobicContact CZ-CB 4.3Å; F3-V15 HydrophobicContact CZ-CG1 3.74Å; F3-V15 HydrophobicContact CZ-CG2 4.42Å; F3-K18 HydrophobicContact CE1-CB 4.28Å; F3-K18 HydrophobicContact CE1-CD 3.8Å; F3-K18 HydrophobicContact CE1-CG 3.97Å; F3-K18 HydrophobicContact CZ-CB 4.39Å; F3-K18 HydrophobicContact CZ-CD 3.89Å; F3-K18 HydrophobicContact CZ-CG 4.36Å; F3-F23 HydrophobicContact CB-CD2 4.23Å; F3-F23 HydrophobicContact CB-CE2 3.91Å; F3-F23 HydrophobicContact CB-CZ 4.19Å; F3-F23 HydrophobicContact CD1-CB 3.88Å; F3-F23 HydrophobicContact CD1-CD1 4.13Å; F3-F23 AromaticContact CD1-CD2 3.68Å; F3-F23 HydrophobicContact CD1-CD2 3.68Å; F3-F23 HydrophobicContact CD1-CE2 4.21Å; F3-F23 AromaticContact CD1-CG 3.64Å; F3-F23 HydrophobicContact CD1-CG 3.64Å; F3-F23 HydrophobicContact CE1-CB 3.79Å; F3-F23 HydrophobicContact CE1-CD2 4.31Å; F3-F23 HydrophobicContact CE1-CG 4.09Å; F3-F23 HydrophobicContact CG-CD2 4.14Å; F3-F23 HydrophobicContact CG-CE2 4.32Å; F3-L41 HydrophobicContact CD1-CD2 3.83Å; F3-L41 HydrophobicContact CE1-CD2 4.02Å
4R96.3Very high91.7Very high119 Ų11978.7 Ų78.745%0.44940%0.402SS..EExtended strand (participates in β ladder)trans-106.5132.9176.1-67.2-171.177176.84.9110.4L9 H94R4-L9 HydrophobicContact CG-CD2 4.13Å; R4-H94 PolarHBondContact O-CE1 2.9Å; R4-H94 PolarHBondContact O-ND1 3.36Å
5F96.4Very high92.2Very high20 Ų2074.1 Ų74.19%0.08838%0.379CS..EExtended strand (participates in β ladder)trans-128.7100168.5-175.1-126.9000108.8Q7 H8 I10 L37 V92 H94 H96F5-Q7 PolarHBondContact O-N 3.11Å; F5-H8 PolarHBondContact N-O 3.22Å; F5-H8 WeakPolarHBondContact O-CB 3.47Å; F5-H8 PolarHBondContact O-CD2 3.01Å; F5-H8 PolarHBondContact O-N 3.04Å; F5-I10 HydrophobicContact CB-CD1 4Å; F5-I10 HydrophobicContact CB-CG1 3.65Å; F5-L37 HydrophobicContact CE1-CD1 4Å; F5-L37 HydrophobicContact CZ-CD1 3.81Å; F5-V92 HydrophobicContact CD1-CB 4.47Å; F5-V92 HydrophobicContact CD1-CG1 3.93Å; F5-V92 HydrophobicContact CD1-CG2 4.3Å; F5-V92 HydrophobicContact CD2-CG1 4.11Å; F5-V92 HydrophobicContact CE1-CB 3.83Å; F5-V92 HydrophobicContact CE1-CG1 3.78Å; F5-V92 HydrophobicContact CE1-CG2 3.66Å; F5-V92 HydrophobicContact CE2-CB 4.29Å; F5-V92 HydrophobicContact CE2-CG1 3.94Å; F5-V92 HydrophobicContact CG-CG1 4.09Å; F5-V92 HydrophobicContact CZ-CB 3.72Å; F5-V92 HydrophobicContact CZ-CG1 3.77Å; F5-V92 HydrophobicContact CZ-CG2 4.03Å; F5-H94 HydrophobicContact CD2-CB 4.05Å; F5-H94 AromaticContact CD2-ND1 3.93Å; F5-H94 HydrophobicContact CE2-CB 4.22Å; F5-H96 HydrophobicContact CE2-CB 3.9Å; F5-H96 AromaticContact CE2-CG 3.74Å; F5-H96 AromaticContact CE2-ND1 3.48Å; F5-H96 WeakPolarHBondContact CE2-ND1 3.07Å; F5-H96 HydrophobicContact CZ-CB 4.41Å; F5-H96 AromaticContact CZ-CE1 3.82Å; F5-H96 AromaticContact CZ-CG 3.86Å; F5-H96 AromaticContact CZ-ND1 3.6Å
6G93.9Very high92.6Very high7 Ų770 Ų707%0.07236%0.357CS..THydrogen-bonded Turntrans56.8-123.4-164.100000111.6H94G6-H94 PolarHBondContact N-ND1 2.73Å
7Q91.3Very high92.9Very high164 Ų16466.8 Ų66.877%0.76634%0.341SS*.THydrogen-bonded Turntrans-86.8-5.6175.8-59.7-58.5-21.800113.5F5F5-Q7 PolarHBondContact O-N 3.11Å
8H92Very high93.2Very high115 Ų11568.7 Ų68.753%0.53235%0.346SS..EExtended strand (participates in β ladder)trans-90.6141.4-175.5-50.7-71.8000111.7F5F5-H8 PolarHBondContact N-O 3.22Å; F5-H8 WeakPolarHBondContact O-CB 3.47Å; F5-H8 PolarHBondContact O-CD2 3.01Å; F5-H8 PolarHBondContact O-N 3.04Å
9L94.7Very high93.5Very high125 Ų12566.5 Ų66.565%0.65434%0.337SS*.EExtended strand (participates in β ladder)trans-89.9124.4168.4-67178.4000109.3R4R4-L9 HydrophobicContact CG-CD2 4.13Å
10I96Very high93.7Very high27 Ų2772.2 Ų72.214%0.13836%0.362CS..EExtended strand (participates in β ladder)trans-98.1126.8178.5-54.8-58.1000109F3 F5 V14 V15 L25F3-I10 HydrophobicContact CB-CB 4.1Å; F3-I10 PolarHBondContact N-O 3.45Å; F3-I10 PolarHBondContact O-N 2.99Å; F5-I10 HydrophobicContact CB-CD1 4Å; F5-I10 HydrophobicContact CB-CG1 3.65Å; I10-V14 HydrophobicContact CG2-CG2 3.49Å; I10-V14 VanDerWaalsContact CG2-CG2 3.49Å; I10-V15 HydrophobicContact CG2-CG2 3.79Å; I10-L25 HydrophobicContact CD1-CD1 4.19Å; I10-L25 HydrophobicContact CG1-CD1 4.14Å; I10-L25 HydrophobicContact CG2-CD1 4.03Å
11K96Very high93.9Very high105 Ų10570.7 Ų70.746%0.45736%0.355SS..PPolyproline II helixtrans-68.3140.5176.7-68.7176.7178164.90109.8S13 V14 E134K11-S13 PolarHBondContact O-N 3.37Å; K11-S13 VanDerWaalsContact O-N 3.11Å; K11-V14 VanDerWaalsContact O-CG2 3.28Å; K11-V14 WeakPolarHBondContact O-CG2 2.89Å; K11-V14 PolarHBondContact O-N 3.45Å; K11-E134 IonicContact NZ-OE1 2.61Å; K11-E134 PolarHBondContact NZ-OE1 3.42Å; K11-E134 IonicContact NZ-OE2 3.52Å; K11-E134 PolarHBondContact NZ-OE2 2.75Å
12P97.2Very high95.7Very high68 Ų6862 Ų6244%0.44231%0.312SS..G310 helixtrans-57.5-27.1176.1-28.637.6000114.2M1 F3 V14 V15 R145M1-P12 WeakPolarHBondContact O-CG 3.48Å; F3-P12 HydrophobicContact CE2-CB 4.34Å; F3-P12 HydrophobicContact CE2-CG 4.35Å; P12-V14 PolarHBondContact O-N 3.04Å; P12-V14 VanDerWaalsContact O-N 3.17Å; P12-V15 PolarHBondContact O-N 2.95Å; P12-V15 VanDerWaalsContact O-N 3.09Å; P12-R145 PolarHBondContact O-NH2 2.89Å
13S97.1Very high96.7Very high47 Ų4757.7 Ų57.733%0.32928%0.282SS..G310 helixtrans-59.2-25.118054.10000113.6K11 A138 A141 R145K11-S13 PolarHBondContact O-N 3.37Å; K11-S13 VanDerWaalsContact O-N 3.11Å; S13-A138 WeakPolarHBondContact O-CA 3.49Å; S13-A141 WeakPolarHBondContact O-CB 3.4Å; S13-R145 PolarHBondContact O-NH2 2.97Å
14V97.4Very high96.8Very high12 Ų1256.8 Ų56.87%0.07328%0.278CS..G310 helixtrans-103.92.5179.4-55.70000113.5I10 K11 P12 L25 V26 M137I10-V14 HydrophobicContact CG2-CG2 3.49Å; I10-V14 VanDerWaalsContact CG2-CG2 3.49Å; K11-V14 VanDerWaalsContact O-CG2 3.28Å; K11-V14 WeakPolarHBondContact O-CG2 2.89Å; K11-V14 PolarHBondContact O-N 3.45Å; P12-V14 PolarHBondContact O-N 3.04Å; P12-V14 VanDerWaalsContact O-N 3.17Å; V14-L25 WeakPolarHBondContact O-CA 3.46Å; V14-V26 HydrophobicContact CB-CG2 3.91Å; V14-V26 HydrophobicContact CG1-CG2 4.47Å; V14-V26 PolarHBondContact O-N 3.34Å; V14-V26 VanDerWaalsContact O-N 3.07Å; V14-M137 HydrophobicContact CB-CB 4.43Å; V14-M137 HydrophobicContact CB-CE 4.22Å; V14-M137 HydrophobicContact CG1-CB 3.59Å; V14-M137 HydrophobicContact CG1-CE 4.06Å
15V98.3Very high96.9Very high10 Ų1051.5 Ų51.56%0.06126%0.259CS..EExtended strand (participates in β ladder)trans-100.2121.2176.5177.20000109.5F3 I10 P12 F23 A24 L25 R145F3-V15 HydrophobicContact CD2-CB 4.37Å; F3-V15 HydrophobicContact CD2-CG2 3.73Å; F3-V15 HydrophobicContact CE1-CG1 4Å; F3-V15 HydrophobicContact CE2-CB 4.06Å; F3-V15 HydrophobicContact CE2-CG1 4.03Å; F3-V15 HydrophobicContact CE2-CG2 3.94Å; F3-V15 HydrophobicContact CG-CG2 4.06Å; F3-V15 HydrophobicContact CZ-CB 4.3Å; F3-V15 HydrophobicContact CZ-CG1 3.74Å; F3-V15 HydrophobicContact CZ-CG2 4.42Å; I10-V15 HydrophobicContact CG2-CG2 3.79Å; P12-V15 PolarHBondContact O-N 2.95Å; P12-V15 VanDerWaalsContact O-N 3.09Å; V15-F23 HydrophobicContact CG1-CB 4.2Å; V15-F23 HydrophobicContact CG1-CD2 4.14Å; V15-F23 HydrophobicContact CG2-CD2 4.06Å; V15-F23 HydrophobicContact CG2-CE2 4.46Å; V15-A24 WeakPolarHBondContact CA-O 3.39Å; V15-A24 WeakPolarHBondContact CG1-O 3.49Å; V15-L25 HydrophobicContact CG2-CB 4.23Å; V15-R145 VanDerWaalsContact O-CZ 3.25Å; V15-R145 PolarHBondContact O-NE 3.4Å; V15-R145 PolarHBondContact O-NH2 3.03Å
16F98.6Very high97Very high8 Ų850.6 Ų50.64%0.03526%0.255CS..EExtended strand (participates in β ladder)trans-108.7-12-173.165.1-92.2000114.6A24 V26 V36 V65 A141 L144 R145 F148F16-A24 HydrophobicContact CD1-CB 4.45Å; F16-A24 WeakPolarHBondContact CD1-O 3.41Å; F16-A24 HydrophobicContact CD2-CB 4.37Å; F16-A24 HydrophobicContact CE1-CB 3.81Å; F16-A24 HydrophobicContact CE2-CB 3.73Å; F16-A24 HydrophobicContact CZ-CB 3.4Å; F16-A24 VanDerWaalsContact CZ-CB 3.4Å; F16-A24 PolarHBondContact N-O 2.85Å; F16-V26 HydrophobicContact CD1-CG1 3.83Å; F16-V26 HydrophobicContact CE1-CG1 4.14Å; F16-V36 HydrophobicContact CE1-CB 3.97Å; F16-V36 HydrophobicContact CE1-CG1 3.87Å; F16-V36 HydrophobicContact CE1-CG2 4.44Å; F16-V36 HydrophobicContact CZ-CB 4.06Å; F16-V36 HydrophobicContact CZ-CG1 4.11Å; F16-V36 HydrophobicContact CZ-CG2 4.02Å; F16-V65 HydrophobicContact CE2-CG1 4.09Å; F16-V65 HydrophobicContact CE2-CG2 3.98Å; F16-V65 HydrophobicContact CZ-CG1 3.8Å; F16-V65 HydrophobicContact CZ-CG2 4.27Å; F16-A141 HydrophobicContact CB-CB 4.17Å; F16-A141 WeakPolarHBondContact CB-O 3.48Å; F16-L144 HydrophobicContact CB-CB 3.89Å; F16-L144 HydrophobicContact CD1-CB 4.45Å; F16-L144 HydrophobicContact CD1-CD1 3.93Å; F16-L144 HydrophobicContact CD2-CB 3.78Å; F16-L144 HydrophobicContact CD2-CD1 4.28Å; F16-L144 HydrophobicContact CE1-CD1 3.95Å; F16-L144 HydrophobicContact CE2-CB 4.4Å; F16-L144 HydrophobicContact CE2-CD1 4.29Å; F16-L144 HydrophobicContact CG-CB 3.79Å; F16-L144 HydrophobicContact CG-CD1 4.09Å; F16-L144 HydrophobicContact CZ-CD1 4.13Å; F16-R145 HydrophobicContact CB-CG 3.88Å; F16-R145 WeakPolarHBondContact O-CG 3.16Å; F16-F148 HydrophobicContact CD2-CD2 4.2Å; F16-F148 AromaticContact CD2-CE2 3.58Å; F16-F148 HydrophobicContact CD2-CE2 3.58Å; F16-F148 HydrophobicContact CD2-CZ 4.42Å; F16-F148 AromaticContact CE2-CE2 3.74Å; F16-F148 HydrophobicContact CE2-CE2 3.74Å; F16-F148 HydrophobicContact CE2-CZ 4.17Å
17L98.6Very high97Very high16 Ų1651 Ų518%0.08426%0.255CS..EExtended strand (participates in β ladder)trans-146141.9172.7179.760.9000109.7F23 A24 V61 V65 F148L17-F23 CarbonylContact O-C 3.57Å; L17-F23 VanDerWaalsContact O-CA 3.26Å; L17-F23 WeakPolarHBondContact O-CA 3.48Å; L17-A24 HydrophobicContact CB-CB 4.08Å; L17-A24 PolarHBondContact O-N 2.94Å; L17-V61 HydrophobicContact CD2-CG1 3.8Å; L17-V65 HydrophobicContact CD2-CG2 3.89Å; L17-F148 HydrophobicContact CB-CD2 4.38Å; L17-F148 HydrophobicContact CB-CE2 4.45Å; L17-F148 HydrophobicContact CD1-CB 4.11Å; L17-F148 HydrophobicContact CD1-CD1 4.07Å; L17-F148 HydrophobicContact CD1-CG 4Å; L17-F148 HydrophobicContact CD2-CD1 3.92Å; L17-F148 HydrophobicContact CD2-CE1 3.72Å; L17-F148 HydrophobicContact CD2-CG 4.39Å; L17-F148 HydrophobicContact CD2-CZ 4.03Å
18K98.4Very high97Very high100 Ų10047.7 Ų47.744%0.43524%0.236SC..EExtended strand (participates in β ladder)trans-139.9134.9172.7179.3-170.2176.7-164.30108.7M1 F3M1-K18 PolarHBondContact SD-NZ 3.44Å; F3-K18 HydrophobicContact CE1-CB 4.28Å; F3-K18 HydrophobicContact CE1-CD 3.8Å; F3-K18 HydrophobicContact CE1-CG 3.97Å; F3-K18 HydrophobicContact CZ-CB 4.39Å; F3-K18 HydrophobicContact CZ-CD 3.89Å; F3-K18 HydrophobicContact CZ-CG 4.36Å
19T98.3Very high96.8Very high28 Ų2843.2 Ų43.217%0.17222%0.215CC..  trans-112.7-168.6168.359.80000109.9L21 S22 D57 V61T19-L21 VanDerWaalsContact C-N 3.27Å; T19-L21 PolarHBondContact OG1-N 2.81Å; T19-S22 PolarHBondContact N-O 2.71Å; T19-S22 PolarHBondContact OG1-N 3.17Å; T19-S22 PolarHBondContact OG1-O 3.14Å; T19-D57 WeakPolarHBondContact CB-OD1 3.26Å; T19-D57 PolarHBondContact OG1-OD1 3.34Å; T19-D57 PolarHBondContact OG1-OD2 2.87Å; T19-V61 HydrophobicContact CG2-CG2 3.37Å
20E97.8Very high96.7Very high179 Ų17939.4 Ų39.484%0.83620%0.198SC*.SBendtrans-66.8-29.7174.5-63.7-172.8170.600112.6L41E20-L41 WeakPolarHBondContact O-CD1 3.36Å
21L98.7Very high96.6Very high41 Ų4139.6 Ų39.622%0.21520%0.2CC..SBendtrans-124.4-13.5-172-60.3176.2000114.5T19 P40 L41 D53 E54 D57T19-L21 VanDerWaalsContact C-N 3.27Å; T19-L21 PolarHBondContact OG1-N 2.81Å; L21-P40 CarbonylContact O-C 3.51Å; L21-P40 WeakPolarHBondContact O-CA 3.37Å; L21-L41 PolarHBondContact O-N 3.13Å; L21-D53 HydrophobicContact CD1-CB 3.89Å; L21-D53 WeakPolarHBondContact CD1-OD2 3.28Å; L21-E54 HydrophobicContact CD1-CG 4.34Å; L21-E54 HydrophobicContact CD2-CG 4.47Å; L21-D57 HydrophobicContact CB-CB 3.92Å; L21-D57 WeakPolarHBondContact CB-OD2 3.19Å; L21-D57 HydrophobicContact CD1-CB 4.07Å
22S98.8Very high96.6Very high0 Ų035.1 Ų35.10%018%0.182CC..EExtended strand (participates in β ladder)trans-137.3167.5-176.7-52.30000113.2T19 C39 D57 L58T19-S22 PolarHBondContact N-O 2.71Å; T19-S22 PolarHBondContact OG1-N 3.17Å; T19-S22 PolarHBondContact OG1-O 3.14Å; S22-C39 CarbonylContact C-O 3.52Å; S22-C39 VanDerWaalsContact CA-O 3.26Å; S22-C39 WeakPolarHBondContact CA-O 3.41Å; S22-C39 WeakPolarHBondContact CB-O 3.49Å; S22-D57 WeakPolarHBondContact CB-OD2 3.47Å; S22-D57 PolarHBondContact N-OD2 3.3Å; S22-D57 PolarHBondContact OG-OD2 3.07Å; S22-L58 WeakPolarHBondContact OG-CA 3.29Å; S22-L58 PolarHBondContact OG-N 3.4Å
23F98.8Very high96.5Very high1 Ų136.7 Ų36.70%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-146.3155.417171.6-73.1000110.9F3 V15 L17 L25 C39 P40 L41F3-F23 HydrophobicContact CB-CD2 4.23Å; F3-F23 HydrophobicContact CB-CE2 3.91Å; F3-F23 HydrophobicContact CB-CZ 4.19Å; F3-F23 HydrophobicContact CD1-CB 3.88Å; F3-F23 HydrophobicContact CD1-CD1 4.13Å; F3-F23 AromaticContact CD1-CD2 3.68Å; F3-F23 HydrophobicContact CD1-CD2 3.68Å; F3-F23 HydrophobicContact CD1-CE2 4.21Å; F3-F23 AromaticContact CD1-CG 3.64Å; F3-F23 HydrophobicContact CD1-CG 3.64Å; F3-F23 HydrophobicContact CE1-CB 3.79Å; F3-F23 HydrophobicContact CE1-CD2 4.31Å; F3-F23 HydrophobicContact CE1-CG 4.09Å; F3-F23 HydrophobicContact CG-CD2 4.14Å; F3-F23 HydrophobicContact CG-CE2 4.32Å; V15-F23 HydrophobicContact CG1-CB 4.2Å; V15-F23 HydrophobicContact CG1-CD2 4.14Å; V15-F23 HydrophobicContact CG2-CD2 4.06Å; V15-F23 HydrophobicContact CG2-CE2 4.46Å; L17-F23 CarbonylContact O-C 3.57Å; L17-F23 VanDerWaalsContact O-CA 3.26Å; L17-F23 WeakPolarHBondContact O-CA 3.48Å; F23-L25 HydrophobicContact CD2-CD2 4.19Å; F23-L25 HydrophobicContact CE2-CB 4.47Å; F23-L25 HydrophobicContact CE2-CD2 3.7Å; F23-L25 HydrophobicContact CE2-CG 4.47Å; F23-L25 HydrophobicContact CZ-CD2 4.35Å; F23-C39 HydrophobicContact CD1-CB 4.13Å; F23-C39 WeakPolarHBondContact CD1-O 3.26Å; F23-C39 HydrophobicContact CE1-CB 3.57Å; F23-C39 HydrophobicContact CZ-CB 3.86Å; F23-C39 PolarHBondContact N-O 3.45Å; F23-C39 PolarHBondContact O-N 2.92Å; F23-P40 WeakPolarHBondContact CE1-O 3.43Å; F23-L41 HydrophobicContact CB-CD2 4.21Å; F23-L41 HydrophobicContact CD1-CD2 3.76Å; F23-L41 HydrophobicContact CD1-CG 4.37Å; F23-L41 HydrophobicContact CG-CD2 4.26Å
24A98.8Very high96.6Very high0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-120.5133.9175.300000110.5V15 F16 L17 L37 V38 V65V15-A24 WeakPolarHBondContact CA-O 3.39Å; V15-A24 WeakPolarHBondContact CG1-O 3.49Å; F16-A24 HydrophobicContact CD1-CB 4.45Å; F16-A24 WeakPolarHBondContact CD1-O 3.41Å; F16-A24 HydrophobicContact CD2-CB 4.37Å; F16-A24 HydrophobicContact CE1-CB 3.81Å; F16-A24 HydrophobicContact CE2-CB 3.73Å; F16-A24 HydrophobicContact CZ-CB 3.4Å; F16-A24 VanDerWaalsContact CZ-CB 3.4Å; F16-A24 PolarHBondContact N-O 2.85Å; L17-A24 HydrophobicContact CB-CB 4.08Å; L17-A24 PolarHBondContact O-N 2.94Å; A24-L37 VanDerWaalsContact CA-O 3.26Å; A24-L37 WeakPolarHBondContact CA-O 3.4Å; A24-V38 HydrophobicContact CB-CG2 4.08Å; A24-V65 HydrophobicContact CB-CG2 3.74Å
25L98.6Very high96.6Very high8 Ų833.9 Ų33.94%0.04217%0.173CC..EExtended strand (participates in β ladder)trans-130.5151.6-17769.7159000111.2I10 V14 V15 F23 V36 L37I10-L25 HydrophobicContact CD1-CD1 4.19Å; I10-L25 HydrophobicContact CG1-CD1 4.14Å; I10-L25 HydrophobicContact CG2-CD1 4.03Å; V14-L25 WeakPolarHBondContact O-CA 3.46Å; V15-L25 HydrophobicContact CG2-CB 4.23Å; F23-L25 HydrophobicContact CD2-CD2 4.19Å; F23-L25 HydrophobicContact CE2-CB 4.47Å; F23-L25 HydrophobicContact CE2-CD2 3.7Å; F23-L25 HydrophobicContact CE2-CG 4.47Å; F23-L25 HydrophobicContact CZ-CD2 4.35Å; L25-V36 WeakPolarHBondContact O-CB 3.24Å; L25-L37 HydrophobicContact CD2-CB 3.67Å; L25-L37 HydrophobicContact CG-CB 4.15Å; L25-L37 PolarHBondContact N-O 3.34Å; L25-L37 PolarHBondContact O-N 2.75Å
26V98.1Very high96.6Very high2 Ų233.4 Ų33.41%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-78.2145.1174-57.30000111.1V14 F16 V36 R132 M137 E140 A141 L144V14-V26 HydrophobicContact CB-CG2 3.91Å; V14-V26 HydrophobicContact CG1-CG2 4.47Å; V14-V26 PolarHBondContact O-N 3.34Å; V14-V26 VanDerWaalsContact O-N 3.07Å; F16-V26 HydrophobicContact CD1-CG1 3.83Å; F16-V26 HydrophobicContact CE1-CG1 4.14Å; V26-V36 HydrophobicContact CG1-CG1 4.4Å; V26-R132 VanDerWaalsContact CB-NH2 3.26Å; V26-M137 HydrophobicContact CG2-CB 3.79Å; V26-M137 HydrophobicContact CG2-CE 4Å; V26-M137 HydrophobicContact CG2-CG 4.24Å; V26-M137 WeakPolarHBondContact CG2-O 3.06Å; V26-E140 VanDerWaalsContact CB-OE1 3.31Å; V26-E140 WeakPolarHBondContact CB-OE1 3.31Å; V26-E140 HydrophobicContact CG1-CB 4.38Å; V26-E140 HydrophobicContact CG1-CG 4.03Å; V26-E140 WeakPolarHBondContact CG1-OE1 3.35Å; V26-A141 HydrophobicContact CG1-CB 3.91Å; V26-A141 HydrophobicContact CG2-CB 4.39Å; V26-L144 HydrophobicContact CG1-CD1 3.97Å
27N93.8Very high96.6Very high14 Ų1433.5 Ų33.58%0.07517%0.17CC..  trans-84.4143.4-175.9-164.3-27.9000111.1K29 H35 R132N27-K29 PolarHBondContact OD1-N 2.67Å; N27-H35 WeakPolarHBondContact CB-O 3.48Å; N27-H35 PolarHBondContact ND2-CE1 3.35Å; N27-H35 PolarHBondContact ND2-NE2 2.86Å; N27-R132 PolarHBondContact O-NE 2.86Å; N27-R132 PolarHBondContact O-NH2 3.47Å
28R90.2Very high96.6Very high95 Ų9532.7 Ų32.736%0.35817%0.166SC..SBendtrans-72.7-30.2173.5-165.7178.8-157.9175.37.1112.9W131 R132 M137R28-W131 HydrophobicContact CG-CB 4.16Å; R28-W131 HydrophobicContact CG-CG 4.02Å; R28-W131 VanDerWaalsContact NE-CG 3.28Å; R28-W131 VanDerWaalsContact NH1-CE3 3.3Å; R28-W131 VanDerWaalsContact NH1-CZ2 3.31Å; R28-R132 WeakPolarHBondContact O-CG 2.89Å; R28-M137 HydrophobicContact CB-CE 4.2Å; R28-M137 HydrophobicContact CB-SD 4.26Å; R28-M137 HydrophobicContact CG-SD 4.15Å
29K88.5Confident96.7Very high22 Ų2228 Ų2810%0.09615%0.146CC..SBendtrans-125.872.4176.9-70.9-169.4175.6176.60110.8N27 V31 H120 E125 D126 S127 S130N27-K29 PolarHBondContact OD1-N 2.67Å; K29-V31 PolarHBondContact O-N 2.81Å; K29-H120 PolarHBondContact O-CD2 3.5Å; K29-H120 VanDerWaalsContact O-CD2 3.28Å; K29-E125 PolarHBondContact NZ-O 3.34Å; K29-D126 VanDerWaalsContact CE-OD1 3.31Å; K29-D126 WeakPolarHBondContact CE-OD1 3.39Å; K29-D126 IonicContact NZ-OD1 2.7Å; K29-D126 PolarHBondContact NZ-OD1 3.3Å; K29-S127 PolarHBondContact NZ-O 3.41Å; K29-S130 WeakPolarHBondContact CE-OG 3.44Å; K29-S130 PolarHBondContact NZ-OG 3.34Å
30P92.4Very high96.7Very high45 Ų4526.6 Ų26.629%0.29214%0.138SC..  trans-65.8112.7-178.827.7-33.5000111V32 H35P30-V32 WeakPolarHBondContact CB-O 3.4Å; P30-V32 PolarHBondContact O-N 3.15Å; P30-H35 HydrophobicContact CB-CB 3.87Å
31V93.8Very high96.7Very high30 Ų3020.7 Ų20.718%0.18211%0.111CC..SBendtrans-49.2-36.8171173.30000113K29 H35 L100 F107 I113 K116 L117 H120K29-V31 PolarHBondContact O-N 2.81Å; V31-H35 PolarHBondContact N-ND1 2.84Å; V31-H35 VanDerWaalsContact N-ND1 3.14Å; V31-L100 HydrophobicContact CB-CD2 4.05Å; V31-L100 HydrophobicContact CG1-CD2 4.32Å; V31-F107 HydrophobicContact CG1-CZ 4.05Å; V31-I113 HydrophobicContact CG1-CG1 4.5Å; V31-K116 HydrophobicContact CG1-CB 3.69Å; V31-K116 HydrophobicContact CG1-CG 4.45Å; V31-L117 HydrophobicContact CG2-CD2 4.13Å; V31-H120 HydrophobicContact CG2-CB 3.91Å
32V95.7Very high96.7Very high12 Ų1223 Ų237%0.07312%0.117CC..SBendtrans-137.6155.1170-64.80000108.9P30 G34 H35 L100 P101 F107P30-V32 WeakPolarHBondContact CB-O 3.4Å; P30-V32 PolarHBondContact O-N 3.15Å; V32-G34 PolarHBondContact O-N 3.36Å; V32-H35 HydrophobicContact CG2-CB 4.27Å; V32-H35 WeakPolarHBondContact O-CB 3.47Å; V32-H35 PolarHBondContact O-N 2.96Å; V32-L100 HydrophobicContact CG2-CB 3.89Å; V32-L100 HydrophobicContact CG2-CD2 4.19Å; V32-P101 WeakPolarHBondContact CG2-O 3.38Å; V32-F107 HydrophobicContact CG1-CE2 3.59Å; V32-F107 HydrophobicContact CG1-CZ 4.05Å
33P96.9Very high96.7Very high101 Ų10125.8 Ų25.866%0.65614%0.135SC*.THydrogen-bonded Turntrans-51.3127.4172.2-27.135.7000111.7F73P33-F73 HydrophobicContact CB-CD1 4.12Å
34G97.5Very high96.6Very high0 Ų026.2 Ų26.20%014%0.138CC..THydrogen-bonded Turntrans83.98.3-176.200000116V32 V36 F73 P101V32-G34 PolarHBondContact O-N 3.36Å; G34-V36 PolarHBondContact O-N 3.46Å; G34-V36 VanDerWaalsContact O-N 3.07Å; G34-F73 VanDerWaalsContact CA-CZ 3.42Å; G34-P101 WeakPolarHBondContact O-CD 3.33Å
35H98.4Very high96.6Very high0 Ų029.6 Ų29.60%015%0.154CC..  trans-63.5108166.2174.4-173.6000109.8N27 P30 V31 V32 H98 V99 L100 H120N27-H35 WeakPolarHBondContact CB-O 3.48Å; N27-H35 PolarHBondContact ND2-CE1 3.35Å; N27-H35 PolarHBondContact ND2-NE2 2.86Å; P30-H35 HydrophobicContact CB-CB 3.87Å; V31-H35 PolarHBondContact N-ND1 2.84Å; V31-H35 VanDerWaalsContact N-ND1 3.14Å; V32-H35 HydrophobicContact CG2-CB 4.27Å; V32-H35 WeakPolarHBondContact O-CB 3.47Å; V32-H35 PolarHBondContact O-N 2.96Å; H35-H98 AromaticContact CE1-ND1 3.41Å; H35-H98 PolarHBondContact CE1-ND1 2.89Å; H35-H98 AromaticContact NE2-CE1 3.96Å; H35-H98 AromaticContact NE2-CG 3.68Å; H35-H98 AromaticContact NE2-ND1 2.88Å; H35-H98 PolarHBondContact NE2-ND1 3.3Å; H35-V99 WeakPolarHBondContact CA-O 3.36Å; H35-L100 HydrophobicContact CB-CD2 4.18Å; H35-L100 HydrophobicContact CB-CG 4.32Å; H35-H120 AromaticContact CE1-NE2 3.42Å; H35-H120 PolarHBondContact CE1-NE2 3.02Å
36V98.6Very high96.6Very high0 Ų032.2 Ų32.20%016%0.163CC..EExtended strand (participates in β ladder)trans-119165176.5-59.90000111F16 L25 V26 G34 V65 V69 V99 L144F16-V36 HydrophobicContact CE1-CB 3.97Å; F16-V36 HydrophobicContact CE1-CG1 3.87Å; F16-V36 HydrophobicContact CE1-CG2 4.44Å; F16-V36 HydrophobicContact CZ-CB 4.06Å; F16-V36 HydrophobicContact CZ-CG1 4.11Å; F16-V36 HydrophobicContact CZ-CG2 4.02Å; L25-V36 WeakPolarHBondContact O-CB 3.24Å; V26-V36 HydrophobicContact CG1-CG1 4.4Å; G34-V36 PolarHBondContact O-N 3.46Å; G34-V36 VanDerWaalsContact O-N 3.07Å; V36-V65 HydrophobicContact CG2-CG1 3.49Å; V36-V65 VanDerWaalsContact CG2-CG1 3.49Å; V36-V69 HydrophobicContact CG1-CG1 4.09Å; V36-V69 HydrophobicContact CG2-CG1 3.81Å; V36-V99 HydrophobicContact CG2-CB 3.85Å; V36-V99 HydrophobicContact CG2-CG1 4.47Å; V36-V99 HydrophobicContact CG2-CG2 4.47Å; V36-V99 PolarHBondContact N-O 2.92Å; V36-V99 VanDerWaalsContact N-O 3.09Å; V36-V99 PolarHBondContact O-N 3.34Å; V36-L144 HydrophobicContact CG1-CD1 4.09Å
37L98.7Very high96.7Very high9 Ų935 Ų355%0.04718%0.175CC..EExtended strand (participates in β ladder)trans-114.1143.1177-56-177.9000110.3F5 A24 L25 V97 H98F5-L37 HydrophobicContact CE1-CD1 4Å; F5-L37 HydrophobicContact CZ-CD1 3.81Å; A24-L37 VanDerWaalsContact CA-O 3.26Å; A24-L37 WeakPolarHBondContact CA-O 3.4Å; L25-L37 HydrophobicContact CD2-CB 3.67Å; L25-L37 HydrophobicContact CG-CB 4.15Å; L25-L37 PolarHBondContact N-O 3.34Å; L25-L37 PolarHBondContact O-N 2.75Å; L37-V97 WeakPolarHBondContact CA-O 3.04Å; L37-H98 HydrophobicContact CD2-CB 4.41Å; L37-H98 VanDerWaalsContact CD2-ND1 3.33Å; L37-H98 WeakPolarHBondContact CD2-ND1 3.47Å
38V98.9Very high96.9Very high0 Ų043.3 Ų43.30%021%0.205CC..EExtended strand (participates in β ladder)trans-119.4126.2167.9-171.70000108.8A24 L58 V61 V65 H96 V97 V99A24-V38 HydrophobicContact CB-CG2 4.08Å; V38-L58 HydrophobicContact CB-CD1 4.37Å; V38-L58 HydrophobicContact CG1-CD1 3.79Å; V38-V61 HydrophobicContact CG1-CB 4.02Å; V38-V61 HydrophobicContact CG1-CG1 3.5Å; V38-V65 HydrophobicContact CG2-CB 4.04Å; V38-V65 HydrophobicContact CG2-CG1 4.03Å; V38-V65 HydrophobicContact CG2-CG2 3.97Å; V38-H96 CarbonylContact O-C 3.54Å; V38-H96 VanDerWaalsContact O-CA 3.28Å; V38-H96 WeakPolarHBondContact O-CA 3.35Å; V38-V97 PolarHBondContact N-O 2.9Å; V38-V97 PolarHBondContact O-N 3.42Å; V38-V99 HydrophobicContact CG2-CG2 3.95Å
39C98.8Very high97.3Very high0 Ų042 Ų420%021%0.205CC..EExtended strand (participates in β ladder)trans-132.3149.2-172.5-47.60000110.3S22 F23 H96S22-C39 CarbonylContact C-O 3.52Å; S22-C39 VanDerWaalsContact CA-O 3.26Å; S22-C39 WeakPolarHBondContact CA-O 3.41Å; S22-C39 WeakPolarHBondContact CB-O 3.49Å; F23-C39 HydrophobicContact CD1-CB 4.13Å; F23-C39 WeakPolarHBondContact CD1-O 3.26Å; F23-C39 HydrophobicContact CE1-CB 3.57Å; F23-C39 HydrophobicContact CZ-CB 3.86Å; F23-C39 PolarHBondContact N-O 3.45Å; F23-C39 PolarHBondContact O-N 2.92Å; C39-H96 HydrophobicContact CB-CB 4.46Å; C39-H96 WeakPolarHBondContact SG-CB 3.43Å
40P98.8Very high97.8Very high0 Ų041.7 Ų41.70%021%0.205CC..EExtended strand (participates in β ladder)trans-66.5153.7165.932.3-33000109.9L21 F23 R42 L50 H94 V95L21-P40 CarbonylContact O-C 3.51Å; L21-P40 WeakPolarHBondContact O-CA 3.37Å; F23-P40 WeakPolarHBondContact CE1-O 3.43Å; P40-R42 VanDerWaalsContact C-N 3.29Å; P40-L50 HydrophobicContact CB-CD2 3.93Å; P40-L50 HydrophobicContact CG-CD2 3.86Å; P40-H94 WeakPolarHBondContact CG-NE2 3.41Å; P40-H94 PolarHBondContact O-CE1 2.84Å; P40-H94 VanDerWaalsContact O-CE1 3.23Å; P40-H94 PolarHBondContact O-NE2 2.74Å; P40-V95 WeakPolarHBondContact CD-O 3.09Å; P40-V95 HydrophobicContact CG-CB 4.28Å
41L98.5Very high98.1Very high55 Ų5544.4 Ų44.429%0.28821%0.209SC..SBendtrans-69.4-30.8173.7-74.1171.1000111.6F3 E20 L21 F23F3-L41 HydrophobicContact CD1-CD2 3.83Å; F3-L41 HydrophobicContact CE1-CD2 4.02Å; E20-L41 WeakPolarHBondContact O-CD1 3.36Å; L21-L41 PolarHBondContact O-N 3.13Å; F23-L41 HydrophobicContact CB-CD2 4.21Å; F23-L41 HydrophobicContact CD1-CD2 3.76Å; F23-L41 HydrophobicContact CD1-CG 4.37Å; F23-L41 HydrophobicContact CG-CD2 4.26Å
42R98.3Very high98.3Very high88 Ų8848.4 Ų48.433%0.33224%0.236SC..SBendtrans-83.1119.9176.5-172.3173.16499.31.4110P40 V44 D49 E54 H94P40-R42 VanDerWaalsContact C-N 3.29Å; R42-V44 HydrophobicContact CG-CG1 4.36Å; R42-V44 PolarHBondContact O-N 2.87Å; R42-D49 PolarHBondContact NH2-O 3.25Å; R42-E54 WeakPolarHBondContact CB-OE1 3.48Å; R42-E54 IonicContact CZ-OE1 3.74Å; R42-E54 IonicContact CZ-OE2 3.73Å; R42-E54 IonicContact NE-OE1 2.84Å; R42-E54 PolarHBondContact NE-OE1 2.83Å; R42-E54 IonicContact NE-OE2 3.41Å; R42-E54 PolarHBondContact NE-OE2 3.4Å; R42-E54 IonicContact NH2-OE1 2.86Å; R42-E54 IonicContact NH2-OE2 3.51Å; R42-E54 PolarHBondContact NH2-OE2 2.84Å; R42-H94 PolarHBondContact O-NE2 3.18Å
43P97.9Very high98.5Very high59 Ų5951.2 Ų51.238%0.38325%0.251SS..  trans-77.983.2-175.432.7-35.8000112H94P43-H94 WeakPolarHBondContact CA-NE2 3.34Å
44V98.5Very high98.6Very high11 Ų1146.6 Ų46.67%0.06722%0.22CC..  trans-98.1144.2170-66.30000111.7R42 D49 L50 H94 V95R42-V44 HydrophobicContact CG-CG1 4.36Å; R42-V44 PolarHBondContact O-N 2.87Å; V44-D49 HydrophobicContact CB-CB 3.86Å; V44-D49 HydrophobicContact CG1-CB 4.02Å; V44-D49 HydrophobicContact CG2-CB 4.35Å; V44-L50 HydrophobicContact CG2-CD2 3.38Å; V44-L50 HydrophobicContact CG2-CG 3.98Å; V44-H94 CarbonylContact O-C 3.46Å; V44-H94 VanDerWaalsContact O-CA 3.23Å; V44-H94 WeakPolarHBondContact O-CA 3.26Å; V44-V95 HydrophobicContact CG2-CB 4.43Å; V44-V95 HydrophobicContact CG2-CG2 3.95Å; V44-V95 PolarHBondContact O-N 3.1Å
45E98.4Very high98.7Very high70 Ų7048.6 Ų48.633%0.32723%0.233SC..SBendtrans-75.8-44.1-177.3-176.6172.8147.700112Q90 K93E45-Q90 PolarHBondContact O-NE2 3.28Å; E45-K93 HydrophobicContact CG-CB 3.96Å; E45-K93 HydrophobicContact CG-CG 4.17Å; E45-K93 WeakPolarHBondContact OE2-CD 3.22Å
46R98.7Very high98.7Very high64 Ų6450.8 Ų50.824%0.24225%0.25CS..SBendtrans-112.7146.7-171.6-56.7-61.9-56.3-86.6-6112.4R48 D49 D84R46-R48 HydrophobicContact CB-CG 3.96Å; R46-R48 PolarHBondContact O-N 2.87Å; R46-D49 WeakPolarHBondContact CB-OD2 3.3Å; R46-D49 PolarHBondContact N-OD2 3.13Å; R46-D49 VanDerWaalsContact O-CB 3.3Å; R46-D49 WeakPolarHBondContact O-CB 3.37Å; R46-D49 PolarHBondContact O-N 3.25Å; R46-D84 VanDerWaalsContact CA-OD1 3.22Å; R46-D84 WeakPolarHBondContact CA-OD1 3.18Å; R46-D84 IonicContact CZ-OD1 3.51Å; R46-D84 IonicContact CZ-OD2 3.45Å; R46-D84 VanDerWaalsContact NE-CG 3.33Å; R46-D84 IonicContact NE-OD1 2.67Å; R46-D84 PolarHBondContact NE-OD1 2.6Å; R46-D84 IonicContact NE-OD2 3.47Å; R46-D84 PolarHBondContact NE-OD2 2.72Å; R46-D84 PolarHBondContact NH2-O 3.06Å; R46-D84 IonicContact NH2-OD1 2.75Å; R46-D84 IonicContact NH2-OD2 2.81Å; R46-D84 PolarHBondContact NH2-OD2 3.25Å
47F98.8Very high98.7Very high59 Ų5952.2 Ų52.226%0.25926%0.258SS..G310 helixtrans-57.2-38.4179.4179.8-115.1000112.3D49 L50 V55 F59 M82 D84F47-D49 PolarHBondContact O-N 2.96Å; F47-D49 VanDerWaalsContact O-N 3.13Å; F47-L50 HydrophobicContact CD2-CD1 3.65Å; F47-L50 HydrophobicContact CE2-CD1 3.79Å; F47-L50 WeakPolarHBondContact O-CB 3.23Å; F47-L50 PolarHBondContact O-N 3.49Å; F47-L50 VanDerWaalsContact O-N 3.14Å; F47-V55 HydrophobicContact CE2-CG1 4.2Å; F47-V55 HydrophobicContact CE2-CG2 3.98Å; F47-V55 HydrophobicContact CZ-CG1 3.85Å; F47-V55 HydrophobicContact CZ-CG2 4.01Å; F47-F59 AromaticContact CE2-CE2 3.63Å; F47-F59 HydrophobicContact CE2-CE2 3.63Å; F47-F59 HydrophobicContact CE2-CZ 4.32Å; F47-F59 AromaticContact CZ-CE2 3.8Å; F47-F59 HydrophobicContact CZ-CE2 3.8Å; F47-M82 HydrophobicContact CB-CE 3.86Å; F47-M82 HydrophobicContact CB-SD 4.08Å; F47-M82 HydrophobicContact CD1-CE 3.98Å; F47-M82 HydrophobicContact CD2-CE 3.54Å; F47-M82 HydrophobicContact CD2-SD 3.69Å; F47-M82 HydrophobicContact CE1-CE 4.45Å; F47-M82 HydrophobicContact CE2-CE 4.08Å; F47-M82 HydrophobicContact CE2-SD 4.45Å; F47-M82 HydrophobicContact CG-CE 3.5Å; F47-M82 VanDerWaalsContact CG-CE 3.5Å; F47-M82 HydrophobicContact CG-SD 4.04Å; F47-D84 HydrophobicContact CB-CB 4.39Å; F47-D84 PolarHBondContact N-OD1 2.81Å
48R98.7Very high98.7Very high189 Ų18951.8 Ų51.871%0.71326%0.256SS*.G310 helixtrans-61.4-18.4176.373.3-177.8-176.7-174.4-2.8114.5R46 L50R46-R48 HydrophobicContact CB-CG 3.96Å; R46-R48 PolarHBondContact O-N 2.87Å; R48-L50 VanDerWaalsContact C-N 3.31Å
49D98.8Very high98.7Very high67 Ų6756 Ų5636%0.35827%0.274SS..G310 helixtrans-86.3-7.5-178-55.8-28000111.5R42 V44 R46 F47R42-D49 PolarHBondContact NH2-O 3.25Å; V44-D49 HydrophobicContact CB-CB 3.86Å; V44-D49 HydrophobicContact CG1-CB 4.02Å; V44-D49 HydrophobicContact CG2-CB 4.35Å; R46-D49 WeakPolarHBondContact CB-OD2 3.3Å; R46-D49 PolarHBondContact N-OD2 3.13Å; R46-D49 VanDerWaalsContact O-CB 3.3Å; R46-D49 WeakPolarHBondContact O-CB 3.37Å; R46-D49 PolarHBondContact O-N 3.25Å; F47-D49 PolarHBondContact O-N 2.96Å; F47-D49 VanDerWaalsContact O-N 3.13Å
50L98.8Very high98.7Very high17 Ų1761.5 Ų61.59%0.08930%0.3CS..SBendtrans-71.5144.1173-66.1177.4000111.3P40 V44 F47 R48 E54 V55 L58 V95P40-L50 HydrophobicContact CB-CD2 3.93Å; P40-L50 HydrophobicContact CG-CD2 3.86Å; V44-L50 HydrophobicContact CG2-CD2 3.38Å; V44-L50 HydrophobicContact CG2-CG 3.98Å; F47-L50 HydrophobicContact CD2-CD1 3.65Å; F47-L50 HydrophobicContact CE2-CD1 3.79Å; F47-L50 WeakPolarHBondContact O-CB 3.23Å; F47-L50 PolarHBondContact O-N 3.49Å; F47-L50 VanDerWaalsContact O-N 3.14Å; R48-L50 VanDerWaalsContact C-N 3.31Å; L50-E54 HydrophobicContact CB-CB 4.28Å; L50-E54 HydrophobicContact CD2-CB 3.99Å; L50-V55 HydrophobicContact CB-CG2 3.68Å; L50-V55 HydrophobicContact CD1-CG2 4.05Å; L50-L58 HydrophobicContact CD1-CD2 3.86Å; L50-V95 HydrophobicContact CD1-CG1 4.14Å
51R98.9Very high98.7Very high101 Ų10161.6 Ų61.638%0.38130%0.301SS..  trans-77.5157.5167.5-59.8-170.7-50.4-75.8-3.1110.2D53 E54 V55R51-D53 VanDerWaalsContact C-N 3.26Å; R51-D53 WeakPolarHBondContact CB-OD1 3.12Å; R51-D53 IonicContact CZ-OD1 2.86Å; R51-D53 IonicContact CZ-OD2 3.37Å; R51-D53 IonicContact NE-OD1 3.83Å; R51-D53 PolarHBondContact NE-OD1 3.24Å; R51-D53 VanDerWaalsContact NE-OD1 3.11Å; R51-D53 IonicContact NE-OD2 3.11Å; R51-D53 PolarHBondContact NE-OD2 3.44Å; R51-D53 IonicContact NH2-OD1 2.82Å; R51-D53 IonicContact NH2-OD2 3.34Å; R51-D53 PolarHBondContact NH2-OD2 3.26Å; R51-D53 PolarHBondContact O-N 2.81Å; R51-E54 HydrophobicContact CB-CG 4.38Å; R51-E54 VanDerWaalsContact CZ-CD 3.44Å; R51-E54 IonicContact CZ-OE1 3.8Å; R51-E54 IonicContact CZ-OE2 3.75Å; R51-E54 PolarHBondContact N-OE2 2.98Å; R51-E54 IonicContact NH1-OE1 3.32Å; R51-E54 PolarHBondContact NH1-OE1 3.48Å; R51-E54 IonicContact NH1-OE2 3.8Å; R51-E54 PolarHBondContact NH1-OE2 3.39Å; R51-E54 IonicContact NH2-OE1 2.75Å; R51-E54 PolarHBondContact NH2-OE1 2.91Å; R51-E54 WeakPolarHBondContact O-CB 3.5Å; R51-E54 PolarHBondContact O-N 3.3Å; R51-V55 PolarHBondContact O-N 3.23Å
52P98.8Very high98.7Very high114 Ų11459.2 Ų59.274%0.7429%0.288SS*.Hα-helixtrans-56.7-34.9-179.7-27.636.1000114.8V55 A56P52-V55 PolarHBondContact O-N 2.86Å; P52-A56 WeakPolarHBondContact O-CB 3.37Å; P52-A56 PolarHBondContact O-N 3.08Å
53D98.8Very high98.8Very high72 Ų7261.5 Ų61.539%0.38530%0.303SS..Hα-helixtrans-64.8-40.9174.457.2-44.9000111.9L21 R51 A56 D57L21-D53 HydrophobicContact CD1-CB 3.89Å; L21-D53 WeakPolarHBondContact CD1-OD2 3.28Å; R51-D53 VanDerWaalsContact C-N 3.26Å; R51-D53 WeakPolarHBondContact CB-OD1 3.12Å; R51-D53 IonicContact CZ-OD1 2.86Å; R51-D53 IonicContact CZ-OD2 3.37Å; R51-D53 IonicContact NE-OD1 3.83Å; R51-D53 PolarHBondContact NE-OD1 3.24Å; R51-D53 VanDerWaalsContact NE-OD1 3.11Å; R51-D53 IonicContact NE-OD2 3.11Å; R51-D53 PolarHBondContact NE-OD2 3.44Å; R51-D53 IonicContact NH2-OD1 2.82Å; R51-D53 IonicContact NH2-OD2 3.34Å; R51-D53 PolarHBondContact NH2-OD2 3.26Å; R51-D53 PolarHBondContact O-N 2.81Å; D53-A56 PolarHBondContact O-N 3.47Å; D53-D57 WeakPolarHBondContact O-CB 3.44Å; D53-D57 PolarHBondContact O-N 3.02Å
54E98.9Very high98.8Very high4 Ų464 Ų642%0.01931%0.305CS..Hα-helixtrans-69.1-37.7176.5-63.5170.914600111.7L21 R42 L50 R51 L58L21-E54 HydrophobicContact CD1-CG 4.34Å; L21-E54 HydrophobicContact CD2-CG 4.47Å; R42-E54 WeakPolarHBondContact CB-OE1 3.48Å; R42-E54 IonicContact CZ-OE1 3.74Å; R42-E54 IonicContact CZ-OE2 3.73Å; R42-E54 IonicContact NE-OE1 2.84Å; R42-E54 PolarHBondContact NE-OE1 2.83Å; R42-E54 IonicContact NE-OE2 3.41Å; R42-E54 PolarHBondContact NE-OE2 3.4Å; R42-E54 IonicContact NH2-OE1 2.86Å; R42-E54 IonicContact NH2-OE2 3.51Å; R42-E54 PolarHBondContact NH2-OE2 2.84Å; L50-E54 HydrophobicContact CB-CB 4.28Å; L50-E54 HydrophobicContact CD2-CB 3.99Å; R51-E54 HydrophobicContact CB-CG 4.38Å; R51-E54 VanDerWaalsContact CZ-CD 3.44Å; R51-E54 IonicContact CZ-OE1 3.8Å; R51-E54 IonicContact CZ-OE2 3.75Å; R51-E54 PolarHBondContact N-OE2 2.98Å; R51-E54 IonicContact NH1-OE1 3.32Å; R51-E54 PolarHBondContact NH1-OE1 3.48Å; R51-E54 IonicContact NH1-OE2 3.8Å; R51-E54 PolarHBondContact NH1-OE2 3.39Å; R51-E54 IonicContact NH2-OE1 2.75Å; R51-E54 PolarHBondContact NH2-OE1 2.91Å; R51-E54 WeakPolarHBondContact O-CB 3.5Å; R51-E54 PolarHBondContact O-N 3.3Å; E54-L58 WeakPolarHBondContact O-CB 3.49Å; E54-L58 PolarHBondContact O-N 2.9Å
55V98.9Very high98.8Very high42 Ų4263.5 Ų63.526%0.25530%0.302SS..Hα-helixtrans-62-47.3174.5174.80000110.4F47 L50 R51 P52 F59F47-V55 HydrophobicContact CE2-CG1 4.2Å; F47-V55 HydrophobicContact CE2-CG2 3.98Å; F47-V55 HydrophobicContact CZ-CG1 3.85Å; F47-V55 HydrophobicContact CZ-CG2 4.01Å; L50-V55 HydrophobicContact CB-CG2 3.68Å; L50-V55 HydrophobicContact CD1-CG2 4.05Å; R51-V55 PolarHBondContact O-N 3.23Å; P52-V55 PolarHBondContact O-N 2.86Å; V55-F59 HydrophobicContact CG1-CD2 4.06Å; V55-F59 HydrophobicContact CG1-CE2 4.32Å; V55-F59 WeakPolarHBondContact O-CD2 3.36Å; V55-F59 PolarHBondContact O-N 2.84Å; V55-F59 VanDerWaalsContact O-N 3.15Å
56A98.9Very high98.8Very high45 Ų4560.2 Ų60.237%0.37229%0.286SS..Hα-helixtrans-63.2-48.1-179.500000111.7P52 D53 Q60P52-A56 WeakPolarHBondContact O-CB 3.37Å; P52-A56 PolarHBondContact O-N 3.08Å; D53-A56 PolarHBondContact O-N 3.47Å; A56-Q60 WeakPolarHBondContact O-CB 3.36Å; A56-Q60 WeakPolarHBondContact O-CG 3.47Å; A56-Q60 PolarHBondContact O-N 2.85Å; A56-Q60 PolarHBondContact O-NE2 2.91Å
57D98.9Very high98.8Very high31 Ų3161.3 Ų61.317%0.16630%0.3CS..Hα-helixtrans-64.2-45.5178.2-17883.9000111.4T19 L21 S22 D53 F59 Q60 V61T19-D57 WeakPolarHBondContact CB-OD1 3.26Å; T19-D57 PolarHBondContact OG1-OD1 3.34Å; T19-D57 PolarHBondContact OG1-OD2 2.87Å; L21-D57 HydrophobicContact CB-CB 3.92Å; L21-D57 WeakPolarHBondContact CB-OD2 3.19Å; L21-D57 HydrophobicContact CD1-CB 4.07Å; S22-D57 WeakPolarHBondContact CB-OD2 3.47Å; S22-D57 PolarHBondContact N-OD2 3.3Å; S22-D57 PolarHBondContact OG-OD2 3.07Å; D53-D57 WeakPolarHBondContact O-CB 3.44Å; D53-D57 PolarHBondContact O-N 3.02Å; D57-F59 PolarHBondContact O-N 3.2Å; D57-Q60 PolarHBondContact O-N 3.19Å; D57-V61 WeakPolarHBondContact O-CB 3.31Å; D57-V61 VanDerWaalsContact O-CG2 3.26Å; D57-V61 WeakPolarHBondContact O-CG2 3.43Å; D57-V61 PolarHBondContact O-N 3.35Å
58L98.9Very high98.8Very high0 Ų059.1 Ų59.10%029%0.292CS..Hα-helixtrans-53.2-52.9178.7176.962.9000111.2S22 V38 L50 E54 V61 T62 V95 V97S22-L58 WeakPolarHBondContact OG-CA 3.29Å; S22-L58 PolarHBondContact OG-N 3.4Å; V38-L58 HydrophobicContact CB-CD1 4.37Å; V38-L58 HydrophobicContact CG1-CD1 3.79Å; L50-L58 HydrophobicContact CD1-CD2 3.86Å; E54-L58 WeakPolarHBondContact O-CB 3.49Å; E54-L58 PolarHBondContact O-N 2.9Å; L58-V61 PolarHBondContact O-N 2.86Å; L58-T62 WeakPolarHBondContact O-CB 3.37Å; L58-T62 PolarHBondContact O-N 3.21Å; L58-T62 PolarHBondContact O-OG1 3.33Å; L58-V95 HydrophobicContact CD2-CG1 4.04Å; L58-V97 HydrophobicContact CD1-CG2 4.49Å; L58-V97 HydrophobicContact CD2-CG2 4.35Å; L58-V97 HydrophobicContact CG-CG2 4.41Å
59F98.9Very high98.8Very high87 Ų8750.1 Ų50.138%0.38226%0.258SS..Hα-helixtrans-76.3-27.7-176.6-77.6-72.6000113.9F47 V55 D57 T62 Q63 M82 V97F47-F59 AromaticContact CE2-CE2 3.63Å; F47-F59 HydrophobicContact CE2-CE2 3.63Å; F47-F59 HydrophobicContact CE2-CZ 4.32Å; F47-F59 AromaticContact CZ-CE2 3.8Å; F47-F59 HydrophobicContact CZ-CE2 3.8Å; V55-F59 HydrophobicContact CG1-CD2 4.06Å; V55-F59 HydrophobicContact CG1-CE2 4.32Å; V55-F59 WeakPolarHBondContact O-CD2 3.36Å; V55-F59 PolarHBondContact O-N 2.84Å; V55-F59 VanDerWaalsContact O-N 3.15Å; D57-F59 PolarHBondContact O-N 3.2Å; F59-T62 PolarHBondContact O-N 2.82Å; F59-Q63 WeakPolarHBondContact O-CB 3.48Å; F59-Q63 PolarHBondContact O-N 3.45Å; F59-M82 HydrophobicContact CZ-CE 4.45Å; F59-V97 HydrophobicContact CE1-CG2 4.19Å; F59-V97 HydrophobicContact CZ-CG2 4.46Å
60Q98.9Very high98.9Very high117 Ų11749.5 Ų49.555%0.54725%0.253SS..Hα-helixtrans-65.3-41.8169.3-75.4173.550.200111.2A56 D57 Q63 R64A56-Q60 WeakPolarHBondContact O-CB 3.36Å; A56-Q60 WeakPolarHBondContact O-CG 3.47Å; A56-Q60 PolarHBondContact O-N 2.85Å; A56-Q60 PolarHBondContact O-NE2 2.91Å; D57-Q60 PolarHBondContact O-N 3.19Å; Q60-Q63 PolarHBondContact O-N 3.21Å; Q60-R64 WeakPolarHBondContact O-CG 3.31Å; Q60-R64 PolarHBondContact O-N 2.98Å; Q60-R64 VanDerWaalsContact O-N 3.1Å
61V98.9Very high98.8Very high2 Ų255.8 Ų55.81%0.01228%0.279CS..Hα-helixtrans-65-45.5173.8175.30000110.4L17 T19 V38 D57 L58 Q63 R64 V65L17-V61 HydrophobicContact CD2-CG1 3.8Å; T19-V61 HydrophobicContact CG2-CG2 3.37Å; V38-V61 HydrophobicContact CG1-CB 4.02Å; V38-V61 HydrophobicContact CG1-CG1 3.5Å; D57-V61 WeakPolarHBondContact O-CB 3.31Å; D57-V61 VanDerWaalsContact O-CG2 3.26Å; D57-V61 WeakPolarHBondContact O-CG2 3.43Å; D57-V61 PolarHBondContact O-N 3.35Å; L58-V61 PolarHBondContact O-N 2.86Å; V61-Q63 VanDerWaalsContact C-N 3.3Å; V61-Q63 PolarHBondContact O-N 2.91Å; V61-R64 PolarHBondContact O-N 3.18Å; V61-V65 HydrophobicContact CG1-CG2 4.04Å; V61-V65 WeakPolarHBondContact O-CB 3.37Å; V61-V65 VanDerWaalsContact O-CG2 3.24Å; V61-V65 WeakPolarHBondContact O-CG2 3.28Å; V61-V65 PolarHBondContact O-N 3.24Å
62T98.9Very high98.8Very high5 Ų553.4 Ų53.43%0.03127%0.272CS..Hα-helixtrans-54.6-44.1174.6-64.50000112.2L58 F59 V65 G66 F80 V97 V99L58-T62 WeakPolarHBondContact O-CB 3.37Å; L58-T62 PolarHBondContact O-N 3.21Å; L58-T62 PolarHBondContact O-OG1 3.33Å; F59-T62 PolarHBondContact O-N 2.82Å; T62-V65 PolarHBondContact O-N 2.86Å; T62-G66 PolarHBondContact O-N 3.34Å; T62-F80 HydrophobicContact CG2-CD1 3.33Å; T62-F80 HydrophobicContact CG2-CE1 3.36Å; T62-F80 HydrophobicContact CG2-CG 4.37Å; T62-F80 HydrophobicContact CG2-CZ 4.44Å; T62-V97 HydrophobicContact CG2-CB 4.41Å; T62-V97 HydrophobicContact CG2-CG1 3.84Å; T62-V99 HydrophobicContact CG2-CG2 4.08Å
63Q98.9Very high98.8Very high136 Ų13649.5 Ų49.564%0.63624%0.244SC*.Hα-helixtrans-61.1-50.1176.2-175.4-172.545.200111.6F59 Q60 V61 V65 G66 T67F59-Q63 WeakPolarHBondContact O-CB 3.48Å; F59-Q63 PolarHBondContact O-N 3.45Å; Q60-Q63 PolarHBondContact O-N 3.21Å; V61-Q63 VanDerWaalsContact C-N 3.3Å; V61-Q63 PolarHBondContact O-N 2.91Å; Q63-V65 VanDerWaalsContact C-N 3.34Å; Q63-V65 PolarHBondContact O-N 2.74Å; Q63-G66 PolarHBondContact O-N 3.33Å; Q63-T67 PolarHBondContact O-N 3.3Å; Q63-T67 VanDerWaalsContact O-N 3.13Å; Q63-T67 PolarHBondContact O-OG1 3.47Å
64R98.8Very high98.8Very high112 Ų11252.9 Ų52.942%0.42326%0.257SS..Hα-helixtrans-60.1-44.2179-69.5171.265.2-161.41.4111.8Q60 V61 V68 F148Q60-R64 WeakPolarHBondContact O-CG 3.31Å; Q60-R64 PolarHBondContact O-N 2.98Å; Q60-R64 VanDerWaalsContact O-N 3.1Å; V61-R64 PolarHBondContact O-N 3.18Å; R64-V68 PolarHBondContact O-N 2.77Å; R64-F148 HydrophobicContact CB-CE1 4.23Å
65V98.9Very high98.7Very high0 Ų053.4 Ų53.40%026%0.263CS..Hα-helixtrans-63-46.9177.8170.80000110.5F16 L17 A24 V36 V38 V61 T62 Q63 T67 V68 V69 V99 F148F16-V65 HydrophobicContact CE2-CG1 4.09Å; F16-V65 HydrophobicContact CE2-CG2 3.98Å; F16-V65 HydrophobicContact CZ-CG1 3.8Å; F16-V65 HydrophobicContact CZ-CG2 4.27Å; L17-V65 HydrophobicContact CD2-CG2 3.89Å; A24-V65 HydrophobicContact CB-CG2 3.74Å; V36-V65 HydrophobicContact CG2-CG1 3.49Å; V36-V65 VanDerWaalsContact CG2-CG1 3.49Å; V38-V65 HydrophobicContact CG2-CB 4.04Å; V38-V65 HydrophobicContact CG2-CG1 4.03Å; V38-V65 HydrophobicContact CG2-CG2 3.97Å; V61-V65 HydrophobicContact CG1-CG2 4.04Å; V61-V65 WeakPolarHBondContact O-CB 3.37Å; V61-V65 VanDerWaalsContact O-CG2 3.24Å; V61-V65 WeakPolarHBondContact O-CG2 3.28Å; V61-V65 PolarHBondContact O-N 3.24Å; T62-V65 PolarHBondContact O-N 2.86Å; Q63-V65 VanDerWaalsContact C-N 3.34Å; Q63-V65 PolarHBondContact O-N 2.74Å; V65-T67 PolarHBondContact O-N 3.08Å; V65-V68 PolarHBondContact O-N 2.8Å; V65-V69 HydrophobicContact CG1-CG1 4.2Å; V65-V69 WeakPolarHBondContact O-CG2 3.44Å; V65-V69 PolarHBondContact O-N 3.5Å; V65-V99 HydrophobicContact CG1-CB 4.49Å; V65-V99 HydrophobicContact CG1-CG1 4.41Å; V65-V99 HydrophobicContact CG1-CG2 4.37Å; V65-F148 HydrophobicContact CG2-CZ 4.25Å
66G98.9Very high98.7Very high0 Ų056.2 Ų56.20%028%0.28CS..Hα-helixtrans-50.8-52.617600000112.7T62 Q63 V68 V69 E70 L78T62-G66 PolarHBondContact O-N 3.34Å; Q63-G66 PolarHBondContact O-N 3.33Å; G66-V68 VanDerWaalsContact C-N 3.28Å; G66-V68 PolarHBondContact O-N 2.92Å; G66-V69 WeakPolarHBondContact O-CG2 3.32Å; G66-V69 PolarHBondContact O-N 3.15Å; G66-E70 VanDerWaalsContact O-CB 3.29Å; G66-E70 WeakPolarHBondContact O-CB 3.46Å; G66-E70 PolarHBondContact O-N 2.95Å; G66-L78 WeakPolarHBondContact O-CD1 3.29Å
67T98.8Very high98.7Very high87 Ų8757.1 Ų57.153%0.53428%0.284SS..Hα-helixtrans-55.7-42.2177-580000112.4Q63 V65 K71Q63-T67 PolarHBondContact O-N 3.3Å; Q63-T67 VanDerWaalsContact O-N 3.13Å; Q63-T67 PolarHBondContact O-OG1 3.47Å; V65-T67 PolarHBondContact O-N 3.08Å; T67-K71 WeakPolarHBondContact O-CB 3.47Å; T67-K71 PolarHBondContact O-N 2.93Å
68V98.8Very high98.7Very high14 Ų1457.8 Ų57.89%0.08529%0.288CS..Hα-helixtrans-70.6-47.9-179.2168.40000111.6R64 V65 G66 K71 H72 L144 Y147 F148R64-V68 PolarHBondContact O-N 2.77Å; V65-V68 PolarHBondContact O-N 2.8Å; G66-V68 VanDerWaalsContact C-N 3.28Å; G66-V68 PolarHBondContact O-N 2.92Å; V68-K71 PolarHBondContact O-N 2.77Å; V68-H72 VanDerWaalsContact O-CB 3.31Å; V68-H72 WeakPolarHBondContact O-CB 3.48Å; V68-H72 PolarHBondContact O-N 2.98Å; V68-L144 HydrophobicContact CG1-CD2 4.01Å; V68-Y147 HydrophobicContact CG1-CD1 4.34Å; V68-Y147 HydrophobicContact CG1-CD2 3.74Å; V68-Y147 HydrophobicContact CG1-CE2 4.5Å; V68-Y147 HydrophobicContact CG1-CG 3.64Å; V68-Y147 HydrophobicContact CG2-CG 4.28Å; V68-F148 HydrophobicContact CB-CE1 4.42Å; V68-F148 HydrophobicContact CB-CE2 4.21Å; V68-F148 HydrophobicContact CB-CZ 3.72Å; V68-F148 HydrophobicContact CG1-CE2 3.95Å; V68-F148 HydrophobicContact CG1-CZ 3.99Å; V68-F148 HydrophobicContact CG2-CD1 4.48Å; V68-F148 HydrophobicContact CG2-CE1 3.68Å; V68-F148 HydrophobicContact CG2-CE2 4.07Å; V68-F148 HydrophobicContact CG2-CZ 3.45Å; V68-F148 VanDerWaalsContact CG2-CZ 3.45Å
69V98.8Very high98.7Very high0 Ų058.6 Ų58.60%029%0.292CS..Hα-helixtrans-71-35-177.2-62.60000112V36 V65 G66 F73 L78 V99 P101 L144V36-V69 HydrophobicContact CG1-CG1 4.09Å; V36-V69 HydrophobicContact CG2-CG1 3.81Å; V65-V69 HydrophobicContact CG1-CG1 4.2Å; V65-V69 WeakPolarHBondContact O-CG2 3.44Å; V65-V69 PolarHBondContact O-N 3.5Å; G66-V69 WeakPolarHBondContact O-CG2 3.32Å; G66-V69 PolarHBondContact O-N 3.15Å; V69-F73 HydrophobicContact CB-CD2 4.09Å; V69-F73 HydrophobicContact CB-CE2 4.45Å; V69-F73 HydrophobicContact CG1-CE2 4.41Å; V69-F73 WeakPolarHBondContact O-CB 3.48Å; V69-F73 WeakPolarHBondContact O-CD2 3.42Å; V69-F73 PolarHBondContact O-N 3.21Å; V69-L78 HydrophobicContact CG2-CD2 4.09Å; V69-V99 HydrophobicContact CG2-CG1 3.64Å; V69-P101 HydrophobicContact CB-CG 3.73Å; V69-P101 HydrophobicContact CG2-CG 3.67Å; V69-P101 WeakPolarHBondContact O-CG 3.47Å; V69-L144 HydrophobicContact CG1-CD1 4.41Å; V69-L144 HydrophobicContact CG1-CD2 4.24Å
70E98.8Very high98.7Very high54 Ų5458.9 Ų58.925%0.25229%0.294SS..Hα-helixtrans-58.5-50.1171.5-175.6175.9-137.200110.5G66 H74 G75 S77 L78G66-E70 VanDerWaalsContact O-CB 3.29Å; G66-E70 WeakPolarHBondContact O-CB 3.46Å; G66-E70 PolarHBondContact O-N 2.95Å; E70-H74 CarbonylContact O-C 3.53Å; E70-H74 WeakPolarHBondContact O-CA 3.43Å; E70-H74 PolarHBondContact O-N 2.92Å; E70-H74 VanDerWaalsContact O-N 3.07Å; E70-G75 WeakPolarHBondContact CG-O 3.4Å; E70-G75 PolarHBondContact O-N 2.84Å; E70-S77 WeakPolarHBondContact OE1-CA 3.45Å; E70-S77 PolarHBondContact OE1-N 3.44Å; E70-L78 HydrophobicContact CB-CD1 4.07Å; E70-L78 HydrophobicContact CB-CD2 4.04Å; E70-L78 HydrophobicContact CB-CG 4.04Å; E70-L78 HydrophobicContact CG-CG 4.43Å
71K98.5Very high98.6Very high148 Ų14854.3 Ų54.364%0.64328%0.275SS*.Hα-helixtrans-62.2-51.7178.6-179178.5179.2-179.30112.4T67 V68 H74 Y147T67-K71 WeakPolarHBondContact O-CB 3.47Å; T67-K71 PolarHBondContact O-N 2.93Å; V68-K71 PolarHBondContact O-N 2.77Å; K71-H74 PolarHBondContact O-N 2.96Å; K71-Y147 HydrophobicContact CD-CE1 4.15Å
72H98.5Very high98.6Very high52 Ų5257.1 Ų57.124%0.24129%0.288CS..Hα-helixtrans-66.3-43.4-173.5-17575.2000112V68 H74 L144 Y147V68-H72 VanDerWaalsContact O-CB 3.31Å; V68-H72 WeakPolarHBondContact O-CB 3.48Å; V68-H72 PolarHBondContact O-N 2.98Å; H72-H74 VanDerWaalsContact C-N 3.27Å; H72-H74 PolarHBondContact O-CE1 3.09Å; H72-H74 PolarHBondContact O-N 3.07Å; H72-H74 PolarHBondContact O-ND1 2.89Å; H72-H74 VanDerWaalsContact O-ND1 3.08Å; H72-L144 HydrophobicContact CB-CD2 4.13Å; H72-Y147 HydrophobicContact CB-CE2 4.11Å; H72-Y147 AromaticContact ND1-CE2 3.43Å; H72-Y147 WeakPolarHBondContact ND1-CE2 3.15Å; H72-Y147 AromaticContact ND1-CZ 3.58Å; H72-Y147 PolarHBondContact ND1-OH 3.15Å
73F98.4Very high98.5Very high31 Ų3157.9 Ų57.914%0.13629%0.292CS..THydrogen-bonded Turntrans-88.78.5-179.5-65.8-82.7000113P33 G34 V69 G75 P101 K103 E140 L144P33-F73 HydrophobicContact CB-CD1 4.12Å; G34-F73 VanDerWaalsContact CA-CZ 3.42Å; V69-F73 HydrophobicContact CB-CD2 4.09Å; V69-F73 HydrophobicContact CB-CE2 4.45Å; V69-F73 HydrophobicContact CG1-CE2 4.41Å; V69-F73 WeakPolarHBondContact O-CB 3.48Å; V69-F73 WeakPolarHBondContact O-CD2 3.42Å; V69-F73 PolarHBondContact O-N 3.21Å; F73-G75 PolarHBondContact O-N 3.39Å; F73-P101 HydrophobicContact CB-CB 4.24Å; F73-P101 HydrophobicContact CB-CG 4.19Å; F73-P101 HydrophobicContact CD2-CG 4.37Å; F73-K103 WeakPolarHBondContact O-CE 3.29Å; F73-K103 PolarHBondContact O-NZ 3.49Å; F73-E140 HydrophobicContact CZ-CG 3.97Å; F73-L144 HydrophobicContact CE2-CD2 4.01Å
74H98.1Very high98.5Very high144 Ų14453.6 Ų53.667%0.66727%0.273SS*.THydrogen-bonded Turntrans56.538.3178.3-49.874.9000112.6E70 K71 H72 K103E70-H74 CarbonylContact O-C 3.53Å; E70-H74 WeakPolarHBondContact O-CA 3.43Å; E70-H74 PolarHBondContact O-N 2.92Å; E70-H74 VanDerWaalsContact O-N 3.07Å; K71-H74 PolarHBondContact O-N 2.96Å; H72-H74 VanDerWaalsContact C-N 3.27Å; H72-H74 PolarHBondContact O-CE1 3.09Å; H72-H74 PolarHBondContact O-N 3.07Å; H72-H74 PolarHBondContact O-ND1 2.89Å; H72-H74 VanDerWaalsContact O-ND1 3.08Å; H74-K103 WeakPolarHBondContact O-CD 3.18Å; H74-K103 WeakPolarHBondContact O-CE 3.43Å; H74-K103 PolarHBondContact O-NZ 2.97Å
75G98.2Very high98.4Very high14 Ų1448.3 Ų48.314%0.14425%0.253CS..  trans-69.4158.4167.900000111.2E70 F73 R102E70-G75 WeakPolarHBondContact CG-O 3.4Å; E70-G75 PolarHBondContact O-N 2.84Å; F73-G75 PolarHBondContact O-N 3.39Å; G75-R102 CarbonylContact C-O 3.59Å; G75-R102 VanDerWaalsContact CA-O 3.28Å; G75-R102 WeakPolarHBondContact CA-O 3.41Å
76T98.3Very high98.3Very high101 Ų10151.7 Ų51.762%0.6228%0.275SS*.SBendtrans-117.3-4.5172.256.90000112.3R102T76-R102 PolarHBondContact N-O 2.92Å
77S98.5Very high98.1Very high65 Ų6560.2 Ų60.246%0.45532%0.315SS..EExtended strand (participates in β ladder)trans-157.1172.2176-61.30000109.1E70 R102E70-S77 WeakPolarHBondContact OE1-CA 3.45Å; E70-S77 PolarHBondContact OE1-N 3.44Å; S77-R102 PolarHBondContact N-O 3.19Å; S77-R102 WeakPolarHBondContact O-CB 3.37Å; S77-R102 PolarHBondContact O-N 3.4Å
78L98.7Very high98Very high45 Ų4558.5 Ų58.524%0.23631%0.31CS..EExtended strand (participates in β ladder)trans-129.2145.4178.2-73.2158000110.9G66 V69 E70 F80 V99 L100 P101G66-L78 WeakPolarHBondContact O-CD1 3.29Å; V69-L78 HydrophobicContact CG2-CD2 4.09Å; E70-L78 HydrophobicContact CB-CD1 4.07Å; E70-L78 HydrophobicContact CB-CD2 4.04Å; E70-L78 HydrophobicContact CB-CG 4.04Å; E70-L78 HydrophobicContact CG-CG 4.43Å; L78-F80 HydrophobicContact CB-CD2 4.25Å; L78-F80 HydrophobicContact CB-CE2 3.66Å; L78-F80 HydrophobicContact CB-CZ 4.08Å; L78-F80 HydrophobicContact CD1-CE2 4.01Å; L78-F80 HydrophobicContact CD1-CZ 3.8Å; L78-F80 HydrophobicContact CG-CE2 4.42Å; L78-F80 HydrophobicContact CG-CZ 4.4Å; L78-V99 HydrophobicContact CD2-CG1 4.13Å; L78-L100 WeakPolarHBondContact CA-O 3.33Å; L78-P101 HydrophobicContact CD2-CG 4.49Å
79T98.7Very high97.7Very high16 Ų1658.6 Ų58.610%0.09831%0.314CS..EExtended strand (participates in β ladder)trans-108.7127.8160.6-63.40000108.3L100 R102 I113T79-L100 HydrophobicContact CG2-CD1 4.16Å; T79-L100 PolarHBondContact N-O 3.11Å; T79-L100 WeakPolarHBondContact O-CD1 3.36Å; T79-L100 PolarHBondContact O-N 3.36Å; T79-R102 WeakPolarHBondContact OG1-CD 3.47Å; T79-R102 WeakPolarHBondContact OG1-CG 3.2Å; T79-R102 PolarHBondContact OG1-NH1 2.83Å; T79-I113 HydrophobicContact CG2-CD1 4.16Å
80F98.6Very high97.5Very high93 Ų9359.6 Ų59.641%0.40832%0.318SS..EExtended strand (participates in β ladder)trans-110.6128.6169.6-63.2-81.1000108.2T62 L78 V97 H98 V99T62-F80 HydrophobicContact CG2-CD1 3.33Å; T62-F80 HydrophobicContact CG2-CE1 3.36Å; T62-F80 HydrophobicContact CG2-CG 4.37Å; T62-F80 HydrophobicContact CG2-CZ 4.44Å; L78-F80 HydrophobicContact CB-CD2 4.25Å; L78-F80 HydrophobicContact CB-CE2 3.66Å; L78-F80 HydrophobicContact CB-CZ 4.08Å; L78-F80 HydrophobicContact CD1-CE2 4.01Å; L78-F80 HydrophobicContact CD1-CZ 3.8Å; L78-F80 HydrophobicContact CG-CE2 4.42Å; L78-F80 HydrophobicContact CG-CZ 4.4Å; F80-V97 HydrophobicContact CB-CG1 4.41Å; F80-V97 HydrophobicContact CD1-CG1 4.33Å; F80-H98 WeakPolarHBondContact CA-O 3.37Å; F80-V99 HydrophobicContact CD1-CB 4.35Å; F80-V99 HydrophobicContact CD1-CG1 4.08Å; F80-V99 HydrophobicContact CD1-CG2 3.91Å; F80-V99 HydrophobicContact CE1-CB 4.25Å; F80-V99 HydrophobicContact CE1-CG1 3.56Å; F80-V99 HydrophobicContact CE1-CG2 3.9Å; F80-V99 HydrophobicContact CZ-CG1 4.33Å
81S98.2Very high97.2Very high22 Ų2260 Ų6015%0.15432%0.324CS..EExtended strand (participates in β ladder)trans-140.4139.8-179.8-170.90000110.8V97 H98S81-V97 CarbonylContact O-C 3.53Å; S81-V97 WeakPolarHBondContact O-CA 3.26Å; S81-H98 PolarHBondContact N-O 3.15Å; S81-H98 VanDerWaalsContact N-O 3.08Å; S81-H98 PolarHBondContact O-CD2 2.98Å; S81-H98 PolarHBondContact O-N 2.97Å
82M98.4Very high97Very high60 Ų6054.1 Ų54.130%0.29630%0.301SS..  trans-131.5121172.8177.6171.861.300108.2F47 F59 D84 V95F47-M82 HydrophobicContact CB-CE 3.86Å; F47-M82 HydrophobicContact CB-SD 4.08Å; F47-M82 HydrophobicContact CD1-CE 3.98Å; F47-M82 HydrophobicContact CD2-CE 3.54Å; F47-M82 HydrophobicContact CD2-SD 3.69Å; F47-M82 HydrophobicContact CE1-CE 4.45Å; F47-M82 HydrophobicContact CE2-CE 4.08Å; F47-M82 HydrophobicContact CE2-SD 4.45Å; F47-M82 HydrophobicContact CG-CE 3.5Å; F47-M82 VanDerWaalsContact CG-CE 3.5Å; F47-M82 HydrophobicContact CG-SD 4.04Å; F59-M82 HydrophobicContact CZ-CE 4.45Å; M82-D84 PolarHBondContact O-N 3.45Å; M82-V95 HydrophobicContact SD-CG1 3.89Å
83Q97.7Very high96.9Very high21 Ų2158 Ų5810%0.09832%0.317CS..  trans-95.588.5178.3-61.8-178.8-84.600108.4G85 A88 Q90 H98Q83-G85 PolarHBondContact O-N 3.07Å; Q83-A88 HydrophobicContact CB-CB 4.32Å; Q83-A88 WeakPolarHBondContact CB-O 3.47Å; Q83-A88 WeakPolarHBondContact CG-O 3.4Å; Q83-A88 PolarHBondContact NE2-O 3.37Å; Q83-Q90 VanDerWaalsContact O-CB 3.32Å; Q83-Q90 WeakPolarHBondContact O-CB 3.28Å; Q83-H98 PolarHBondContact OE1-NE2 3.09Å
84D98.3Very high97Very high46 Ų4656.5 Ų56.525%0.24631%0.311CS..  trans-8684-175.6-18046.8000112.4R46 F47 M82R46-D84 VanDerWaalsContact CA-OD1 3.22Å; R46-D84 WeakPolarHBondContact CA-OD1 3.18Å; R46-D84 IonicContact CZ-OD1 3.51Å; R46-D84 IonicContact CZ-OD2 3.45Å; R46-D84 VanDerWaalsContact NE-CG 3.33Å; R46-D84 IonicContact NE-OD1 2.67Å; R46-D84 PolarHBondContact NE-OD1 2.6Å; R46-D84 IonicContact NE-OD2 3.47Å; R46-D84 PolarHBondContact NE-OD2 2.72Å; R46-D84 PolarHBondContact NH2-O 3.06Å; R46-D84 IonicContact NH2-OD1 2.75Å; R46-D84 IonicContact NH2-OD2 2.81Å; R46-D84 PolarHBondContact NH2-OD2 3.25Å; F47-D84 HydrophobicContact CB-CB 4.39Å; F47-D84 PolarHBondContact N-OD1 2.81Å; M82-D84 PolarHBondContact O-N 3.45Å
85G97.4Very high97Very high1 Ų149.8 Ų49.81%0.0128%0.28CS..SBendtrans111.8167.2175.500000114.5Q83 E87 A88 G89 Q90Q83-G85 PolarHBondContact O-N 3.07Å; G85-E87 PolarHBondContact O-N 3.43Å; G85-A88 WeakPolarHBondContact O-CB 3.34Å; G85-A88 PolarHBondContact O-N 3.33Å; G85-G89 PolarHBondContact O-N 3.08Å; G85-Q90 VanDerWaalsContact CA-OE1 3.26Å; G85-Q90 WeakPolarHBondContact O-CB 3.49Å; G85-Q90 PolarHBondContact O-N 3.47Å; G85-Q90 VanDerWaalsContact O-N 3.11Å
86P95.2Very high97Very high71 Ų7149.3 Ų49.346%0.46127%0.274SS..G310 helixtrans-58.3-44-173.1-25.234.8000113.6A88 G89P86-A88 PolarHBondContact O-N 3.07Å; P86-G89 WeakPolarHBondContact O-CA 3.34Å; P86-G89 PolarHBondContact O-N 3.33Å
87E95.6Very high97Very high180 Ų18044.6 Ų44.684%0.84125%0.245SC*.G310 helixtrans-70.5-18.7-179.7-67.468.4-146.900112.9G85 G89G85-E87 PolarHBondContact O-N 3.43Å; E87-G89 VanDerWaalsContact C-N 3.27Å
88A95.6Very high97Very high51 Ų5141.5 Ų41.542%0.42122%0.223SC..G310 helixtrans-83-4.5169.900000112.6Q83 G85 P86Q83-A88 HydrophobicContact CB-CB 4.32Å; Q83-A88 WeakPolarHBondContact CB-O 3.47Å; Q83-A88 WeakPolarHBondContact CG-O 3.4Å; Q83-A88 PolarHBondContact NE2-O 3.37Å; G85-A88 WeakPolarHBondContact O-CB 3.34Å; G85-A88 PolarHBondContact O-N 3.33Å; P86-A88 PolarHBondContact O-N 3.07Å
89G93.4Very high97Very high16 Ų1639.4 Ų39.417%0.16521%0.212CC..THydrogen-bonded Turntrans9317.6-179.200000114.8G85 P86 E87 T91G85-G89 PolarHBondContact O-N 3.08Å; P86-G89 WeakPolarHBondContact O-CA 3.34Å; P86-G89 PolarHBondContact O-N 3.33Å; E87-G89 VanDerWaalsContact C-N 3.27Å; G89-T91 PolarHBondContact O-N 2.98Å
90Q95.3Very high97Very high20 Ų2038.6 Ų38.69%0.09321%0.207CC..  trans-64.2124.2176.4-16617927.900111.4E45 Q83 G85 V92E45-Q90 PolarHBondContact O-NE2 3.28Å; Q83-Q90 VanDerWaalsContact O-CB 3.32Å; Q83-Q90 WeakPolarHBondContact O-CB 3.28Å; G85-Q90 VanDerWaalsContact CA-OE1 3.26Å; G85-Q90 WeakPolarHBondContact O-CB 3.49Å; G85-Q90 PolarHBondContact O-N 3.47Å; G85-Q90 VanDerWaalsContact O-N 3.11Å; Q90-V92 VanDerWaalsContact CG-O 3.29Å; Q90-V92 WeakPolarHBondContact CG-O 3.48Å; Q90-V92 PolarHBondContact NE2-O 3.4Å
91T92Very high97Very high62 Ų6234.5 Ų34.538%0.3819%0.19SC..  trans-100.9-48.7176.754.50000111.5G89 D121G89-T91 PolarHBondContact O-N 2.98Å; T91-D121 HydrophobicContact CG2-CB 3.6Å; T91-D121 WeakPolarHBondContact OG1-CB 3.4Å
92V94.3Very high97Very high26 Ų2634.1 Ų34.116%0.15819%0.185CC..SBendtrans-91.2120174-177.40000109.8F5 Q90 H94F5-V92 HydrophobicContact CD1-CB 4.47Å; F5-V92 HydrophobicContact CD1-CG1 3.93Å; F5-V92 HydrophobicContact CD1-CG2 4.3Å; F5-V92 HydrophobicContact CD2-CG1 4.11Å; F5-V92 HydrophobicContact CE1-CB 3.83Å; F5-V92 HydrophobicContact CE1-CG1 3.78Å; F5-V92 HydrophobicContact CE1-CG2 3.66Å; F5-V92 HydrophobicContact CE2-CB 4.29Å; F5-V92 HydrophobicContact CE2-CG1 3.94Å; F5-V92 HydrophobicContact CG-CG1 4.09Å; F5-V92 HydrophobicContact CZ-CB 3.72Å; F5-V92 HydrophobicContact CZ-CG1 3.77Å; F5-V92 HydrophobicContact CZ-CG2 4.03Å; Q90-V92 VanDerWaalsContact CG-O 3.29Å; Q90-V92 WeakPolarHBondContact CG-O 3.48Å; Q90-V92 PolarHBondContact NE2-O 3.4Å; V92-H94 HydrophobicContact CG1-CB 4.23Å; V92-H94 PolarHBondContact O-N 3.23Å
93K97.1Very high97Very high133 Ų13335.9 Ų35.958%0.57819%0.191SC*.SBendtrans-71.360.8177.3-66.7-178170.5-161.80112.8E45E45-K93 HydrophobicContact CG-CB 3.96Å; E45-K93 HydrophobicContact CG-CG 4.17Å; E45-K93 WeakPolarHBondContact OE2-CD 3.22Å
94H98.4Very high96.9Very high0 Ų039.7 Ų39.70%023%0.226CC..SBendtrans-152.6125.6173.8-170.5166.5000106.4R4 F5 G6 P40 R42 P43 V44 V92 H96R4-H94 PolarHBondContact O-CE1 2.9Å; R4-H94 PolarHBondContact O-ND1 3.36Å; F5-H94 HydrophobicContact CD2-CB 4.05Å; F5-H94 AromaticContact CD2-ND1 3.93Å; F5-H94 HydrophobicContact CE2-CB 4.22Å; G6-H94 PolarHBondContact N-ND1 2.73Å; P40-H94 WeakPolarHBondContact CG-NE2 3.41Å; P40-H94 PolarHBondContact O-CE1 2.84Å; P40-H94 VanDerWaalsContact O-CE1 3.23Å; P40-H94 PolarHBondContact O-NE2 2.74Å; R42-H94 PolarHBondContact O-NE2 3.18Å; P43-H94 WeakPolarHBondContact CA-NE2 3.34Å; V44-H94 CarbonylContact O-C 3.46Å; V44-H94 VanDerWaalsContact O-CA 3.23Å; V44-H94 WeakPolarHBondContact O-CA 3.26Å; V92-H94 HydrophobicContact CG1-CB 4.23Å; V92-H94 PolarHBondContact O-N 3.23Å; H94-H96 PolarHBondContact O-N 3.01Å; H94-H96 PolarHBondContact O-ND1 2.96Å
95V98.7Very high96.8Very high2 Ų241.2 Ų41.21%0.01225%0.253CS..  trans-49.2131.1172.6173.10000110.7P40 V44 L50 L58 M82P40-V95 WeakPolarHBondContact CD-O 3.09Å; P40-V95 HydrophobicContact CG-CB 4.28Å; V44-V95 HydrophobicContact CG2-CB 4.43Å; V44-V95 HydrophobicContact CG2-CG2 3.95Å; V44-V95 PolarHBondContact O-N 3.1Å; L50-V95 HydrophobicContact CD1-CG1 4.14Å; L58-V95 HydrophobicContact CD2-CG1 4.04Å; M82-V95 HydrophobicContact SD-CG1 3.89Å
96H98.7Very high96.7Very high5 Ų543.7 Ų43.72%0.02327%0.266CS..  trans-153.7148.7172.754.8-81.3000110.6F5 V38 C39 H94 H98F5-H96 HydrophobicContact CE2-CB 3.9Å; F5-H96 AromaticContact CE2-CG 3.74Å; F5-H96 AromaticContact CE2-ND1 3.48Å; F5-H96 WeakPolarHBondContact CE2-ND1 3.07Å; F5-H96 HydrophobicContact CZ-CB 4.41Å; F5-H96 AromaticContact CZ-CE1 3.82Å; F5-H96 AromaticContact CZ-CG 3.86Å; F5-H96 AromaticContact CZ-ND1 3.6Å; V38-H96 CarbonylContact O-C 3.54Å; V38-H96 VanDerWaalsContact O-CA 3.28Å; V38-H96 WeakPolarHBondContact O-CA 3.35Å; C39-H96 HydrophobicContact CB-CB 4.46Å; C39-H96 WeakPolarHBondContact SG-CB 3.43Å; H94-H96 PolarHBondContact O-N 3.01Å; H94-H96 PolarHBondContact O-ND1 2.96Å; H96-H98 AromaticContact CD2-CD2 3.98Å; H96-H98 AromaticContact CD2-CE1 3.84Å; H96-H98 AromaticContact CD2-NE2 3.5Å; H96-H98 PolarHBondContact CD2-NE2 3.17Å; H96-H98 AromaticContact NE2-CE1 3.73Å; H96-H98 AromaticContact NE2-NE2 3.35Å; H96-H98 PolarHBondContact NE2-NE2 3.06Å
97V98.8Very high96.6Very high2 Ų242.2 Ų42.21%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-104.5122.4172.3-174.70000108.3L37 V38 L58 F59 T62 F80 S81 V99L37-V97 WeakPolarHBondContact CA-O 3.04Å; V38-V97 PolarHBondContact N-O 2.9Å; V38-V97 PolarHBondContact O-N 3.42Å; L58-V97 HydrophobicContact CD1-CG2 4.49Å; L58-V97 HydrophobicContact CD2-CG2 4.35Å; L58-V97 HydrophobicContact CG-CG2 4.41Å; F59-V97 HydrophobicContact CE1-CG2 4.19Å; F59-V97 HydrophobicContact CZ-CG2 4.46Å; T62-V97 HydrophobicContact CG2-CB 4.41Å; T62-V97 HydrophobicContact CG2-CG1 3.84Å; F80-V97 HydrophobicContact CB-CG1 4.41Å; F80-V97 HydrophobicContact CD1-CG1 4.33Å; S81-V97 CarbonylContact O-C 3.53Å; S81-V97 WeakPolarHBondContact O-CA 3.26Å; V97-V99 HydrophobicContact CG1-CG2 4.43Å
98H98.6Very high96.4Very high0 Ų042.9 Ų42.90%026%0.255CS..EExtended strand (participates in β ladder)trans-73.5127.9165.8-57.7-94.6000108.9H35 L37 F80 S81 Q83 H96 L100 L117 H120H35-H98 AromaticContact CE1-ND1 3.41Å; H35-H98 PolarHBondContact CE1-ND1 2.89Å; H35-H98 AromaticContact NE2-CE1 3.96Å; H35-H98 AromaticContact NE2-CG 3.68Å; H35-H98 AromaticContact NE2-ND1 2.88Å; H35-H98 PolarHBondContact NE2-ND1 3.3Å; L37-H98 HydrophobicContact CD2-CB 4.41Å; L37-H98 VanDerWaalsContact CD2-ND1 3.33Å; L37-H98 WeakPolarHBondContact CD2-ND1 3.47Å; F80-H98 WeakPolarHBondContact CA-O 3.37Å; S81-H98 PolarHBondContact N-O 3.15Å; S81-H98 VanDerWaalsContact N-O 3.08Å; S81-H98 PolarHBondContact O-CD2 2.98Å; S81-H98 PolarHBondContact O-N 2.97Å; Q83-H98 PolarHBondContact OE1-NE2 3.09Å; H96-H98 AromaticContact CD2-CD2 3.98Å; H96-H98 AromaticContact CD2-CE1 3.84Å; H96-H98 AromaticContact CD2-NE2 3.5Å; H96-H98 PolarHBondContact CD2-NE2 3.17Å; H96-H98 AromaticContact NE2-CE1 3.73Å; H96-H98 AromaticContact NE2-NE2 3.35Å; H96-H98 PolarHBondContact NE2-NE2 3.06Å; H98-L100 HydrophobicContact CB-CD1 3.63Å; H98-L100 HydrophobicContact CB-CG 4.48Å; H98-L117 HydrophobicContact CB-CD2 4.35Å; H98-H120 AromaticContact CE1-CE1 3.93Å
99V98.8Very high96.3Very high0 Ų047.9 Ų47.90%026%0.263CS..EExtended strand (participates in β ladder)trans-116.6113174.9-174.50000107.8H35 V36 V38 T62 V65 V69 L78 F80 V97H35-V99 WeakPolarHBondContact CA-O 3.36Å; V36-V99 HydrophobicContact CG2-CB 3.85Å; V36-V99 HydrophobicContact CG2-CG1 4.47Å; V36-V99 HydrophobicContact CG2-CG2 4.47Å; V36-V99 PolarHBondContact N-O 2.92Å; V36-V99 VanDerWaalsContact N-O 3.09Å; V36-V99 PolarHBondContact O-N 3.34Å; V38-V99 HydrophobicContact CG2-CG2 3.95Å; T62-V99 HydrophobicContact CG2-CG2 4.08Å; V65-V99 HydrophobicContact CG1-CB 4.49Å; V65-V99 HydrophobicContact CG1-CG1 4.41Å; V65-V99 HydrophobicContact CG1-CG2 4.37Å; V69-V99 HydrophobicContact CG2-CG1 3.64Å; L78-V99 HydrophobicContact CD2-CG1 4.13Å; F80-V99 HydrophobicContact CD1-CB 4.35Å; F80-V99 HydrophobicContact CD1-CG1 4.08Å; F80-V99 HydrophobicContact CD1-CG2 3.91Å; F80-V99 HydrophobicContact CE1-CB 4.25Å; F80-V99 HydrophobicContact CE1-CG1 3.56Å; F80-V99 HydrophobicContact CE1-CG2 3.9Å; F80-V99 HydrophobicContact CZ-CG1 4.33Å; V97-V99 HydrophobicContact CG1-CG2 4.43Å
100L98.6Very high96.2Very high0 Ų051.6 Ų51.60%028%0.279CS..EExtended strand (participates in β ladder)trans-122.7110.1-172.3-51.999.1000110.5V31 V32 H35 L78 T79 H98 I113 L117V31-L100 HydrophobicContact CB-CD2 4.05Å; V31-L100 HydrophobicContact CG1-CD2 4.32Å; V32-L100 HydrophobicContact CG2-CB 3.89Å; V32-L100 HydrophobicContact CG2-CD2 4.19Å; H35-L100 HydrophobicContact CB-CD2 4.18Å; H35-L100 HydrophobicContact CB-CG 4.32Å; L78-L100 WeakPolarHBondContact CA-O 3.33Å; T79-L100 HydrophobicContact CG2-CD1 4.16Å; T79-L100 PolarHBondContact N-O 3.11Å; T79-L100 WeakPolarHBondContact O-CD1 3.36Å; T79-L100 PolarHBondContact O-N 3.36Å; H98-L100 HydrophobicContact CB-CD1 3.63Å; H98-L100 HydrophobicContact CB-CG 4.48Å; L100-I113 HydrophobicContact CB-CD1 4.36Å; L100-I113 HydrophobicContact CD2-CD1 4.07Å; L100-I113 HydrophobicContact CD2-CG1 4.39Å; L100-L117 HydrophobicContact CD1-CD1 4.48Å; L100-L117 HydrophobicContact CD2-CD2 4.18Å
101P98.6Very high96.1Very high6 Ų655 Ų554%0.03930%0.298CS..EExtended strand (participates in β ladder)trans-59.8132.7167.9-22.634.1000111V32 G34 V69 F73 L78V32-P101 WeakPolarHBondContact CG2-O 3.38Å; G34-P101 WeakPolarHBondContact O-CD 3.33Å; V69-P101 HydrophobicContact CB-CG 3.73Å; V69-P101 HydrophobicContact CG2-CG 3.67Å; V69-P101 WeakPolarHBondContact O-CG 3.47Å; F73-P101 HydrophobicContact CB-CB 4.24Å; F73-P101 HydrophobicContact CB-CG 4.19Å; F73-P101 HydrophobicContact CD2-CG 4.37Å; L78-P101 HydrophobicContact CD2-CG 4.49Å
102R98.4Very high96.2Very high15 Ų1553.4 Ų53.46%0.05729%0.289CS..EExtended strand (participates in β ladder)trans-115.1146-176.9-54.7-56.9-55.7-74.3-8.3111G75 T76 S77 T79 D106 N110G75-R102 CarbonylContact C-O 3.59Å; G75-R102 VanDerWaalsContact CA-O 3.28Å; G75-R102 WeakPolarHBondContact CA-O 3.41Å; T76-R102 PolarHBondContact N-O 2.92Å; S77-R102 PolarHBondContact N-O 3.19Å; S77-R102 WeakPolarHBondContact O-CB 3.37Å; S77-R102 PolarHBondContact O-N 3.4Å; T79-R102 WeakPolarHBondContact OG1-CD 3.47Å; T79-R102 WeakPolarHBondContact OG1-CG 3.2Å; T79-R102 PolarHBondContact OG1-NH1 2.83Å; R102-D106 VanDerWaalsContact CA-OD2 3.29Å; R102-D106 WeakPolarHBondContact CA-OD2 3.44Å; R102-D106 IonicContact CZ-OD1 3.61Å; R102-D106 IonicContact CZ-OD2 3.41Å; R102-D106 IonicContact NE-OD1 3.5Å; R102-D106 IonicContact NE-OD2 3.58Å; R102-D106 PolarHBondContact NE-OD2 3.2Å; R102-D106 IonicContact NH2-OD1 3.66Å; R102-D106 PolarHBondContact NH2-OD1 3.38Å; R102-D106 IonicContact NH2-OD2 3.34Å; R102-D106 PolarHBondContact NH2-OD2 3.05Å; R102-N110 PolarHBondContact NH1-OD1 2.88Å; R102-N110 PolarHBondContact NH2-OD1 3.41Å
103K97.4Very high96.1Very high97 Ų9752.2 Ų52.242%0.42228%0.282SS..  trans-135.3154.9175.6-59.9-174.7-164.3-165.30110.5F73 H74 G105 D106F73-K103 WeakPolarHBondContact O-CE 3.29Å; F73-K103 PolarHBondContact O-NZ 3.49Å; H74-K103 WeakPolarHBondContact O-CD 3.18Å; H74-K103 WeakPolarHBondContact O-CE 3.43Å; H74-K103 PolarHBondContact O-NZ 2.97Å; K103-G105 PolarHBondContact O-N 3.28Å; K103-D106 PolarHBondContact N-OD2 3.44Å; K103-D106 WeakPolarHBondContact O-CB 3.36Å; K103-D106 PolarHBondContact O-N 3.36Å; K103-D106 VanDerWaalsContact O-N 3.14Å
104A96.8Very high95.9Very high100 Ų10051.2 Ų51.283%0.82628%0.275SS*.THydrogen-bonded Turntrans-55127.9169.500000110.3D106A104-D106 VanDerWaalsContact C-N 3.34Å; A104-D106 PolarHBondContact O-N 3.4Å
105G94.7Very high95.5Very high78 Ų7855.9 Ų55.980%0.80430%0.297SS*.THydrogen-bonded Turntrans77.78.9178.700000115.8K103 F107K103-G105 PolarHBondContact O-N 3.28Å; G105-F107 PolarHBondContact O-N 3.41Å
106D95.2Very high95.1Very high54 Ų5461.1 Ų61.129%0.28932%0.319SS..SBendtrans-64.3-29.8174.363.65.8000113.1R102 K103 A104R102-D106 VanDerWaalsContact CA-OD2 3.29Å; R102-D106 WeakPolarHBondContact CA-OD2 3.44Å; R102-D106 IonicContact CZ-OD1 3.61Å; R102-D106 IonicContact CZ-OD2 3.41Å; R102-D106 IonicContact NE-OD1 3.5Å; R102-D106 IonicContact NE-OD2 3.58Å; R102-D106 PolarHBondContact NE-OD2 3.2Å; R102-D106 IonicContact NH2-OD1 3.66Å; R102-D106 PolarHBondContact NH2-OD1 3.38Å; R102-D106 IonicContact NH2-OD2 3.34Å; R102-D106 PolarHBondContact NH2-OD2 3.05Å; K103-D106 PolarHBondContact N-OD2 3.44Å; K103-D106 WeakPolarHBondContact O-CB 3.36Å; K103-D106 PolarHBondContact O-N 3.36Å; K103-D106 VanDerWaalsContact O-N 3.14Å; A104-D106 VanDerWaalsContact C-N 3.34Å; A104-D106 PolarHBondContact O-N 3.4Å
107F94.2Very high94.7Very high40 Ų4061 Ų6118%0.17532%0.319CS..  trans-135.8145.2170.1-71.9-86.1000110.8V31 V32 G105 R109 I113 K116V31-F107 HydrophobicContact CG1-CZ 4.05Å; V32-F107 HydrophobicContact CG1-CE2 3.59Å; V32-F107 HydrophobicContact CG1-CZ 4.05Å; G105-F107 PolarHBondContact O-N 3.41Å; F107-R109 VanDerWaalsContact C-N 3.31Å; F107-R109 WeakPolarHBondContact CB-O 3.5Å; F107-R109 PolarHBondContact O-N 2.86Å; F107-I113 HydrophobicContact CD2-CB 4.44Å; F107-I113 HydrophobicContact CE2-CB 4.17Å; F107-I113 HydrophobicContact CE2-CD1 4.35Å; F107-I113 HydrophobicContact CE2-CG1 4.17Å; F107-I113 HydrophobicContact CZ-CB 4.47Å; F107-I113 HydrophobicContact CZ-CG1 4.48Å; F107-K116 HydrophobicContact CE1-CG 3.75Å; F107-K116 HydrophobicContact CZ-CG 4.2Å
108H91.4Very high94.1Very high194 Ų19465.7 Ų65.790%0.89834%0.341SS*.SBendtrans-63.6-37.7172.9-177.5-72.4000112
109R93.7Very high93.4Very high156 Ų15670.3 Ų70.359%0.58936%0.361SS*.SBendtrans-122.1130.1172.9-63.8175.764.9-166.7-2.8108.1F107 D111 S112F107-R109 VanDerWaalsContact C-N 3.31Å; F107-R109 WeakPolarHBondContact CB-O 3.5Å; F107-R109 PolarHBondContact O-N 2.86Å; R109-D111 PolarHBondContact O-N 3.45Å; R109-S112 VanDerWaalsContact O-CB 3.31Å; R109-S112 WeakPolarHBondContact O-CB 3.4Å; R109-S112 PolarHBondContact O-N 3.23Å
110N90.4Very high92.3Very high93 Ų9371 Ų7150%0.49736%0.364SS..THydrogen-bonded Turntrans-52.5-43.5-177.7177.759.8000112.5R102 S112 I113R102-N110 PolarHBondContact NH1-OD1 2.88Å; R102-N110 PolarHBondContact NH2-OD1 3.41Å; N110-S112 PolarHBondContact O-N 2.75Å; N110-I113 VanDerWaalsContact O-CG2 3.25Å; N110-I113 WeakPolarHBondContact O-CG2 3.25Å; N110-I113 PolarHBondContact O-N 3.35Å
111D92.9Very high91Very high93 Ų9373 Ų7350%0.49738%0.375SS..THydrogen-bonded Turntrans-77-7.2-174.6-58.9-17.7000113.8R109 I113 Y114R109-D111 PolarHBondContact O-N 3.45Å; D111-I113 PolarHBondContact O-N 2.96Å; D111-I113 VanDerWaalsContact O-N 3.13Å; D111-Y114 HydrophobicContact CB-CD2 4.01Å; D111-Y114 HydrophobicContact CB-CE2 4.33Å; D111-Y114 WeakPolarHBondContact O-CD2 3.33Å; D111-Y114 PolarHBondContact O-N 2.99Å
112S93.8Very high89.8Confident28 Ų2877.5 Ų77.520%0.19639%0.394CS..Hα-helixtrans-62.6-17.6172.5-68.30000112.7R109 N110 Y114 E115 K116R109-S112 VanDerWaalsContact O-CB 3.31Å; R109-S112 WeakPolarHBondContact O-CB 3.4Å; R109-S112 PolarHBondContact O-N 3.23Å; N110-S112 PolarHBondContact O-N 2.75Å; S112-Y114 PolarHBondContact O-N 3.14Å; S112-E115 PolarHBondContact O-N 3.14Å; S112-K116 PolarHBondContact O-N 3.23Å
113I93.4Very high87.9Confident0 Ų085.5 Ų85.50%043%0.432CS..Hα-helixtrans-59.2-35.4171.5-165.9165000112.2V31 T79 L100 F107 N110 D111 K116 L117V31-I113 HydrophobicContact CG1-CG1 4.5Å; T79-I113 HydrophobicContact CG2-CD1 4.16Å; L100-I113 HydrophobicContact CB-CD1 4.36Å; L100-I113 HydrophobicContact CD2-CD1 4.07Å; L100-I113 HydrophobicContact CD2-CG1 4.39Å; F107-I113 HydrophobicContact CD2-CB 4.44Å; F107-I113 HydrophobicContact CE2-CB 4.17Å; F107-I113 HydrophobicContact CE2-CD1 4.35Å; F107-I113 HydrophobicContact CE2-CG1 4.17Å; F107-I113 HydrophobicContact CZ-CB 4.47Å; F107-I113 HydrophobicContact CZ-CG1 4.48Å; N110-I113 VanDerWaalsContact O-CG2 3.25Å; N110-I113 WeakPolarHBondContact O-CG2 3.25Å; N110-I113 PolarHBondContact O-N 3.35Å; D111-I113 PolarHBondContact O-N 2.96Å; D111-I113 VanDerWaalsContact O-N 3.13Å; I113-K116 PolarHBondContact O-N 3.16Å; I113-L117 HydrophobicContact CG1-CD1 4.4Å; I113-L117 WeakPolarHBondContact O-CB 3.48Å; I113-L117 WeakPolarHBondContact O-CG 3.21Å; I113-L117 PolarHBondContact O-N 2.84Å
114Y91.6Very high86Confident112 Ų11290.4 Ų90.444%0.43946%0.456SS..Hα-helixtrans-74-37.4-179.6-57.2-66.4000111.7D111 S112 K116 L117 Q118D111-Y114 HydrophobicContact CB-CD2 4.01Å; D111-Y114 HydrophobicContact CB-CE2 4.33Å; D111-Y114 WeakPolarHBondContact O-CD2 3.33Å; D111-Y114 PolarHBondContact O-N 2.99Å; S112-Y114 PolarHBondContact O-N 3.14Å; Y114-K116 VanDerWaalsContact C-N 3.28Å; Y114-K116 PolarHBondContact O-N 2.95Å; Y114-L117 HydrophobicContact CD1-CD1 4.42Å; Y114-L117 PolarHBondContact O-N 2.77Å; Y114-Q118 WeakPolarHBondContact O-CB 3.16Å; Y114-Q118 PolarHBondContact O-N 2.69Å
115E90.9Very high84Confident99 Ų9990.4 Ų90.446%0.46344%0.439SS..Hα-helixtrans-62.3-38.1171.4-64.6179.3-171.400111.3S112 K119S112-E115 PolarHBondContact O-N 3.14Å; E115-K119 WeakPolarHBondContact O-CG 3.43Å; E115-K119 PolarHBondContact O-N 3.01Å
116K90.3Very high82.5Confident111 Ų11189.9 Ų89.948%0.48342%0.418SS..Hα-helixtrans-68.6-46.3174.9-73.6-62.6-172.3173.40112.3V31 F107 S112 I113 Y114 Q118 K119 H120V31-K116 HydrophobicContact CG1-CB 3.69Å; V31-K116 HydrophobicContact CG1-CG 4.45Å; F107-K116 HydrophobicContact CE1-CG 3.75Å; F107-K116 HydrophobicContact CZ-CG 4.2Å; S112-K116 PolarHBondContact O-N 3.23Å; I113-K116 PolarHBondContact O-N 3.16Å; Y114-K116 VanDerWaalsContact C-N 3.28Å; Y114-K116 PolarHBondContact O-N 2.95Å; K116-Q118 VanDerWaalsContact C-N 3.25Å; K116-Q118 PolarHBondContact O-N 2.79Å; K116-K119 PolarHBondContact O-N 2.98Å; K116-H120 WeakPolarHBondContact O-CB 3.42Å; K116-H120 PolarHBondContact O-N 3.24Å
117L89.6Confident81Confident4 Ų489.7 Ų89.72%0.02142%0.421CS..Hα-helixtrans-56.6-41.5175.1-78.5167.1000111.3V31 H98 L100 I113 Y114 K119 H120V31-L117 HydrophobicContact CG2-CD2 4.13Å; H98-L117 HydrophobicContact CB-CD2 4.35Å; L100-L117 HydrophobicContact CD1-CD1 4.48Å; L100-L117 HydrophobicContact CD2-CD2 4.18Å; I113-L117 HydrophobicContact CG1-CD1 4.4Å; I113-L117 WeakPolarHBondContact O-CB 3.48Å; I113-L117 WeakPolarHBondContact O-CG 3.21Å; I113-L117 PolarHBondContact O-N 2.84Å; Y114-L117 HydrophobicContact CD1-CD1 4.42Å; Y114-L117 PolarHBondContact O-N 2.77Å; L117-K119 VanDerWaalsContact C-N 3.27Å; L117-K119 PolarHBondContact O-N 3.45Å; L117-H120 PolarHBondContact O-CE1 3.11Å; L117-H120 PolarHBondContact O-ND1 3.2Å
118Q86.5Confident79.5Confident99 Ų9992 Ų9246%0.46344%0.44SS..Hα-helixtrans-65-27.3177.7-168.3-177.816.700113.9Y114 K116 K122Y114-Q118 WeakPolarHBondContact O-CB 3.16Å; Y114-Q118 PolarHBondContact O-N 2.69Å; K116-Q118 VanDerWaalsContact C-N 3.25Å; K116-Q118 PolarHBondContact O-N 2.79Å; Q118-K122 WeakPolarHBondContact O-CD 3.32Å; Q118-K122 WeakPolarHBondContact O-CE 3.31Å; Q118-K122 WeakPolarHBondContact O-CG 3.43Å
119K83.6Confident78.2Confident97 Ų9789.3 Ų89.342%0.42244%0.437SS..Hα-helixtrans-99-34.4-174.3-69.6175.7-177.6178.20113.6E115 K116 L117 D121 K122E115-K119 WeakPolarHBondContact O-CG 3.43Å; E115-K119 PolarHBondContact O-N 3.01Å; K116-K119 PolarHBondContact O-N 2.98Å; L117-K119 VanDerWaalsContact C-N 3.27Å; L117-K119 PolarHBondContact O-N 3.45Å; K119-D121 PolarHBondContact O-N 3.49Å; K119-D121 VanDerWaalsContact O-N 3.09Å; K119-K122 PolarHBondContact O-N 2.94Å
120H76.2Confident76.8Confident16 Ų1685 Ų857%0.07443%0.431CS..Hα-helixtrans-63-24.9-165.982.8-61.9000115.4K29 V31 H35 H98 K116 L117K29-H120 PolarHBondContact O-CD2 3.5Å; K29-H120 VanDerWaalsContact O-CD2 3.28Å; V31-H120 HydrophobicContact CG2-CB 3.91Å; H35-H120 AromaticContact CE1-NE2 3.42Å; H35-H120 PolarHBondContact CE1-NE2 3.02Å; H98-H120 AromaticContact CE1-CE1 3.93Å; K116-H120 WeakPolarHBondContact O-CB 3.42Å; K116-H120 PolarHBondContact O-N 3.24Å; L117-H120 PolarHBondContact O-CE1 3.11Å; L117-H120 PolarHBondContact O-ND1 3.2Å
121D72.4Confident76.3Confident41 Ų4184.3 Ų84.322%0.21942%0.421CS..THydrogen-bonded Turntrans-103.76-179.8-68.1-27.8000113.1T91 K119T91-D121 HydrophobicContact CG2-CB 3.6Å; T91-D121 WeakPolarHBondContact OG1-CB 3.4Å; K119-D121 PolarHBondContact O-N 3.49Å; K119-D121 VanDerWaalsContact O-N 3.09Å
122K72.5Confident76.2Confident101 Ų10180.9 Ų80.944%0.43940%0.401SS..SBendtrans-87.2140.9179.7-71.6-173.6173.8-1780111.5Q118 K119 E124 E125 D126Q118-K122 WeakPolarHBondContact O-CD 3.32Å; Q118-K122 WeakPolarHBondContact O-CE 3.31Å; Q118-K122 WeakPolarHBondContact O-CG 3.43Å; K119-K122 PolarHBondContact O-N 2.94Å; K122-E124 PolarHBondContact O-N 2.89Å; K122-E125 CarbonylContact O-C 3.53Å; K122-E125 PolarHBondContact O-N 3.05Å; K122-D126 PolarHBondContact O-N 3.27Å
123E59.4Low76.2Confident183 Ų18382.4 Ų82.486%0.85541%0.411SS*.THydrogen-bonded Turntrans-51.5-32.4-173.1-65.7-179.917300114.9E125 D126E123-E125 VanDerWaalsContact C-N 3.32Å; E123-E125 PolarHBondContact O-N 3.06Å; E123-D126 PolarHBondContact O-N 3.13Å
124E56.6Low76.1Confident199 Ų19987.4 Ų87.493%0.9344%0.435SS*.THydrogen-bonded Turntrans-65.9-32.6177.7-67.4-179.6178.500113.2K122K122-E124 PolarHBondContact O-N 2.89Å
125E54.3Low76.3Confident101 Ų10188.7 Ų88.747%0.47245%0.445SS..THydrogen-bonded Turntrans-100.1-5.1173.2-66.6-176.1-174.300111.3K29 K122 E123 S127 S130K29-E125 PolarHBondContact NZ-O 3.34Å; K122-E125 CarbonylContact O-C 3.53Å; K122-E125 PolarHBondContact O-N 3.05Å; E123-E125 VanDerWaalsContact C-N 3.32Å; E123-E125 PolarHBondContact O-N 3.06Å; E125-S127 PolarHBondContact O-N 3.45Å; E125-S130 PolarHBondContact O-OG 3.36Å
126D63.9Low76.6Confident67 Ų6788.5 Ų88.536%0.35844%0.444SS..  trans-8154.4179.4-156.420.4000114.6K29 K122 E123 W131K29-D126 VanDerWaalsContact CE-OD1 3.31Å; K29-D126 WeakPolarHBondContact CE-OD1 3.39Å; K29-D126 IonicContact NZ-OD1 2.7Å; K29-D126 PolarHBondContact NZ-OD1 3.3Å; K122-D126 PolarHBondContact O-N 3.27Å; E123-D126 PolarHBondContact O-N 3.13Å; D126-W131 PolarHBondContact OD1-NE1 3.31Å
127S62.3Low76.9Confident50 Ų5084 Ų8435%0.3543%0.425SS..  trans-90.7144.8176.4175.60000112.3K29 E125 V129 S130K29-S127 PolarHBondContact NZ-O 3.41Å; E125-S127 PolarHBondContact O-N 3.45Å; S127-V129 PolarHBondContact O-N 3.07Å; S127-V129 VanDerWaalsContact O-N 3.08Å; S127-V129 PolarHBondContact OG-N 2.94Å; S127-S130 PolarHBondContact O-N 3.34Å; S127-S130 VanDerWaalsContact O-N 3.15Å; S127-S130 PolarHBondContact O-OG 2.81Å
128P64.1Low77.3Confident88 Ų8885 Ų8557%0.57143%0.434SS*.G310 helixtrans-55.4-22.4170.8-25.834.3000114.8S130 W131P128-S130 VanDerWaalsContact C-N 3.31Å; P128-S130 PolarHBondContact O-N 3.48Å; P128-W131 HydrophobicContact CB-CD2 4.35Å; P128-W131 HydrophobicContact CB-CE3 3.79Å; P128-W131 HydrophobicContact CB-CZ3 4.08Å; P128-W131 HydrophobicContact CG-CE3 4.26Å; P128-W131 HydrophobicContact CG-CH2 4.41Å; P128-W131 HydrophobicContact CG-CZ3 4.08Å; P128-W131 WeakPolarHBondContact O-CB 3.28Å; P128-W131 PolarHBondContact O-N 3.38Å
129V63.2Low77.9Confident137 Ų13786.3 Ų86.383%0.8344%0.44SS*.G310 helixtrans-71.3-26.1-178.7-177.70000112.3S127S127-V129 PolarHBondContact O-N 3.07Å; S127-V129 VanDerWaalsContact O-N 3.08Å; S127-V129 PolarHBondContact OG-N 2.94Å
130S64.6Low78.6Confident66 Ų6683.1 Ų83.146%0.46243%0.427SS..G310 helixtrans-96.17.3177.254.40000113.2K29 E125 S127 P128K29-S130 WeakPolarHBondContact CE-OG 3.44Å; K29-S130 PolarHBondContact NZ-OG 3.34Å; E125-S130 PolarHBondContact O-OG 3.36Å; S127-S130 PolarHBondContact O-N 3.34Å; S127-S130 VanDerWaalsContact O-N 3.15Å; S127-S130 PolarHBondContact O-OG 2.81Å; P128-S130 VanDerWaalsContact C-N 3.31Å; P128-S130 PolarHBondContact O-N 3.48Å
131W81Confident79.6Confident79 Ų7982.4 Ų82.430%0.29942%0.423SS..PPolyproline II helixtrans-83.9128.4174.3-65.2-16.8000110.5R28 D126 P128R28-W131 HydrophobicContact CG-CB 4.16Å; R28-W131 HydrophobicContact CG-CG 4.02Å; R28-W131 VanDerWaalsContact NE-CG 3.28Å; R28-W131 VanDerWaalsContact NH1-CE3 3.3Å; R28-W131 VanDerWaalsContact NH1-CZ2 3.31Å; D126-W131 PolarHBondContact OD1-NE1 3.31Å; P128-W131 HydrophobicContact CB-CD2 4.35Å; P128-W131 HydrophobicContact CB-CE3 3.79Å; P128-W131 HydrophobicContact CB-CZ3 4.08Å; P128-W131 HydrophobicContact CG-CE3 4.26Å; P128-W131 HydrophobicContact CG-CH2 4.41Å; P128-W131 HydrophobicContact CG-CZ3 4.08Å; P128-W131 WeakPolarHBondContact O-CB 3.28Å; P128-W131 PolarHBondContact O-N 3.38Å
132R90.1Very high80.9Confident21 Ų2182.7 Ų82.78%0.07943%0.431CS..PPolyproline II helixtrans-67.4155.7160.963.3-179.3-172.4144.3-11.4111V26 N27 R28 E136 M137 E140V26-R132 VanDerWaalsContact CB-NH2 3.26Å; N27-R132 PolarHBondContact O-NE 2.86Å; N27-R132 PolarHBondContact O-NH2 3.47Å; R28-R132 WeakPolarHBondContact O-CG 2.89Å; R132-E136 WeakPolarHBondContact CD-OE1 3.48Å; R132-E136 IonicContact NH1-OE1 3.97Å; R132-M137 HydrophobicContact CG-CG 3.79Å; R132-M137 HydrophobicContact CG-SD 4.36Å; R132-M137 VanDerWaalsContact NE-CG 3.31Å; R132-E140 IonicContact CZ-OE1 2.79Å; R132-E140 IonicContact CZ-OE2 3.79Å; R132-E140 VanDerWaalsContact NH1-CD 3.25Å; R132-E140 IonicContact NH1-OE1 3.5Å; R132-E140 IonicContact NH1-OE2 2.81Å; R132-E140 PolarHBondContact NH1-OE2 3.06Å; R132-E140 IonicContact NH2-OE1 3.55Å; R132-E140 PolarHBondContact NH2-OE1 3.35Å; R132-E140 IonicContact NH2-OE2 2.81Å
133S92.7Very high82.1Confident59 Ų5979.6 Ų79.641%0.41343%0.425SS..PPolyproline II helixtrans-68.8155.4-17774.70000111.3E135 E136 M137S133-E135 PolarHBondContact O-N 2.89Å; S133-E136 PolarHBondContact O-N 3.28Å; S133-E136 WeakPolarHBondContact OG-CB 3.46Å; S133-E136 PolarHBondContact OG-N 3.4Å; S133-M137 WeakPolarHBondContact O-CG 3.31Å; S133-M137 PolarHBondContact O-N 3.19Å; S133-M137 VanDerWaalsContact O-N 3.12Å
134E92Very high84Confident105 Ų10570.9 Ų70.949%0.49138%0.384SS..Hα-helixtrans-62.6-28.5173.6-68.6-168.6168.600112.4K11 A138K11-E134 IonicContact NZ-OE1 2.61Å; K11-E134 PolarHBondContact NZ-OE1 3.42Å; K11-E134 IonicContact NZ-OE2 3.52Å; K11-E134 PolarHBondContact NZ-OE2 2.75Å; E134-A138 VanDerWaalsContact O-CB 3.31Å; E134-A138 WeakPolarHBondContact O-CB 3.4Å; E134-A138 PolarHBondContact O-N 2.92Å
135E96.3Very high86Confident139 Ų13965 Ų6565%0.6535%0.353SS*.Hα-helixtrans-66.7-49.6176.5-175.8170.6-15500110.8S133 M137 A138 E139S133-E135 PolarHBondContact O-N 2.89Å; E135-M137 VanDerWaalsContact C-N 3.29Å; E135-M137 PolarHBondContact O-N 3.04Å; E135-A138 WeakPolarHBondContact O-CB 3.33Å; E135-A138 PolarHBondContact O-N 2.81Å; E135-E139 WeakPolarHBondContact O-CG 3.42Å; E135-E139 PolarHBondContact O-N 2.61Å
136E96.3Very high88.1Confident95 Ų9564.4 Ų64.444%0.44436%0.356SS..Hα-helixtrans-59.5-41.2176.2-171.5-171132.500111.4R132 S133 A138 E139 E140R132-E136 WeakPolarHBondContact CD-OE1 3.48Å; R132-E136 IonicContact NH1-OE1 3.97Å; S133-E136 PolarHBondContact O-N 3.28Å; S133-E136 WeakPolarHBondContact OG-CB 3.46Å; S133-E136 PolarHBondContact OG-N 3.4Å; E136-A138 PolarHBondContact O-N 2.81Å; E136-E139 PolarHBondContact O-N 3.48Å; E136-E140 WeakPolarHBondContact O-CB 3.48Å; E136-E140 PolarHBondContact O-N 3.12Å
137M97.6Very high89.7Confident17 Ų1765.4 Ų65.48%0.08436%0.356CS..Hα-helixtrans-62.2-41.7173.7-68.3177.671.700112.3V14 V26 R28 R132 S133 E135 A141V14-M137 HydrophobicContact CB-CB 4.43Å; V14-M137 HydrophobicContact CB-CE 4.22Å; V14-M137 HydrophobicContact CG1-CB 3.59Å; V14-M137 HydrophobicContact CG1-CE 4.06Å; V26-M137 HydrophobicContact CG2-CB 3.79Å; V26-M137 HydrophobicContact CG2-CE 4Å; V26-M137 HydrophobicContact CG2-CG 4.24Å; V26-M137 WeakPolarHBondContact CG2-O 3.06Å; R28-M137 HydrophobicContact CB-CE 4.2Å; R28-M137 HydrophobicContact CB-SD 4.26Å; R28-M137 HydrophobicContact CG-SD 4.15Å; R132-M137 HydrophobicContact CG-CG 3.79Å; R132-M137 HydrophobicContact CG-SD 4.36Å; R132-M137 VanDerWaalsContact NE-CG 3.31Å; S133-M137 WeakPolarHBondContact O-CG 3.31Å; S133-M137 PolarHBondContact O-N 3.19Å; S133-M137 VanDerWaalsContact O-N 3.12Å; E135-M137 VanDerWaalsContact C-N 3.29Å; E135-M137 PolarHBondContact O-N 3.04Å; M137-A141 WeakPolarHBondContact O-CB 3.35Å; M137-A141 PolarHBondContact O-N 3.31Å
138A97.8Very high91.3Very high26 Ų2665 Ų6522%0.21535%0.348CS..Hα-helixtrans-69-38.8-179.200000112S13 E134 E135 E136 A141 A142S13-A138 WeakPolarHBondContact O-CA 3.49Å; E134-A138 VanDerWaalsContact O-CB 3.31Å; E134-A138 WeakPolarHBondContact O-CB 3.4Å; E134-A138 PolarHBondContact O-N 2.92Å; E135-A138 WeakPolarHBondContact O-CB 3.33Å; E135-A138 PolarHBondContact O-N 2.81Å; E136-A138 PolarHBondContact O-N 2.81Å; A138-A141 PolarHBondContact O-N 2.93Å; A138-A142 WeakPolarHBondContact O-CB 3.37Å; A138-A142 PolarHBondContact O-N 2.91Å
139E98.3Very high92.3Very high125 Ų12570.9 Ų70.958%0.58437%0.368SS*.Hα-helixtrans-62.8-48173.8-72.2-177.5164.400111.6E135 E136 A141 A142 A143E135-E139 WeakPolarHBondContact O-CG 3.42Å; E135-E139 PolarHBondContact O-N 2.61Å; E136-E139 PolarHBondContact O-N 3.48Å; E139-A141 PolarHBondContact O-N 3.04Å; E139-A142 WeakPolarHBondContact O-CB 3.43Å; E139-A142 PolarHBondContact O-N 3.01Å; E139-A142 VanDerWaalsContact O-N 3.15Å; E139-A143 PolarHBondContact O-N 3.09Å
140E98.5Very high93.8Very high31 Ų3167.6 Ų67.615%0.14535%0.345CS..Hα-helixtrans-59.5-46.9175.9-175.2179.2104.600111.3V26 F73 R132 E136 A142 A143 L144V26-E140 VanDerWaalsContact CB-OE1 3.31Å; V26-E140 WeakPolarHBondContact CB-OE1 3.31Å; V26-E140 HydrophobicContact CG1-CB 4.38Å; V26-E140 HydrophobicContact CG1-CG 4.03Å; V26-E140 WeakPolarHBondContact CG1-OE1 3.35Å; F73-E140 HydrophobicContact CZ-CG 3.97Å; R132-E140 IonicContact CZ-OE1 2.79Å; R132-E140 IonicContact CZ-OE2 3.79Å; R132-E140 VanDerWaalsContact NH1-CD 3.25Å; R132-E140 IonicContact NH1-OE1 3.5Å; R132-E140 IonicContact NH1-OE2 2.81Å; R132-E140 PolarHBondContact NH1-OE2 3.06Å; R132-E140 IonicContact NH2-OE1 3.55Å; R132-E140 PolarHBondContact NH2-OE1 3.35Å; R132-E140 IonicContact NH2-OE2 2.81Å; E136-E140 WeakPolarHBondContact O-CB 3.48Å; E136-E140 PolarHBondContact O-N 3.12Å; E140-A142 VanDerWaalsContact C-N 3.27Å; E140-A142 PolarHBondContact O-N 3.33Å; E140-A143 PolarHBondContact O-N 3.48Å; E140-L144 HydrophobicContact CG-CD1 4.34Å; E140-L144 WeakPolarHBondContact O-CG 3.43Å; E140-L144 PolarHBondContact O-N 2.85Å
141A98.4Very high95.3Very high0 Ų067.7 Ų67.70%034%0.339CS..Hα-helixtrans-62.7-36.9177.400000111.5S13 F16 V26 M137 A138 E139 L144 R145S13-A141 WeakPolarHBondContact O-CB 3.4Å; F16-A141 HydrophobicContact CB-CB 4.17Å; F16-A141 WeakPolarHBondContact CB-O 3.48Å; V26-A141 HydrophobicContact CG1-CB 3.91Å; V26-A141 HydrophobicContact CG2-CB 4.39Å; M137-A141 WeakPolarHBondContact O-CB 3.35Å; M137-A141 PolarHBondContact O-N 3.31Å; A138-A141 PolarHBondContact O-N 2.93Å; E139-A141 PolarHBondContact O-N 3.04Å; A141-L144 PolarHBondContact O-N 2.7Å; A141-R145 VanDerWaalsContact O-CG 3.28Å; A141-R145 WeakPolarHBondContact O-CG 3.37Å; A141-R145 PolarHBondContact O-N 3.43Å
142A98.4Very high96.1Very high47 Ų4767.1 Ų67.139%0.38834%0.341SS..Hα-helixtrans-65.5-42.2175.700000112.1A138 E139 E140 L144 R145A138-A142 WeakPolarHBondContact O-CB 3.37Å; A138-A142 PolarHBondContact O-N 2.91Å; E139-A142 WeakPolarHBondContact O-CB 3.43Å; E139-A142 PolarHBondContact O-N 3.01Å; E139-A142 VanDerWaalsContact O-N 3.15Å; E140-A142 VanDerWaalsContact C-N 3.27Å; E140-A142 PolarHBondContact O-N 3.33Å; A142-L144 VanDerWaalsContact C-N 3.33Å; A142-L144 PolarHBondContact O-N 3.34Å; A142-R145 VanDerWaalsContact CA-NH1 3.3Å; A142-R145 PolarHBondContact O-N 3.17Å
143A98.5Very high96.5Very high37 Ų3769.8 Ų69.831%0.30636%0.356SS..Hα-helixtrans-61.1-41.9174.400000111.8E139 E140 Y147E139-A143 PolarHBondContact O-N 3.09Å; E140-A143 PolarHBondContact O-N 3.48Å; A143-Y147 WeakPolarHBondContact O-CD2 3.31Å
144L98.6Very high96.7Very high0 Ų070.4 Ų70.40%035%0.353CS..Hα-helixtrans-69.7-34.5178.4-66.2177.2000113.2F16 V26 V36 V68 V69 H72 F73 E140 A141 A142 V146 Y147 F148F16-L144 HydrophobicContact CB-CB 3.89Å; F16-L144 HydrophobicContact CD1-CB 4.45Å; F16-L144 HydrophobicContact CD1-CD1 3.93Å; F16-L144 HydrophobicContact CD2-CB 3.78Å; F16-L144 HydrophobicContact CD2-CD1 4.28Å; F16-L144 HydrophobicContact CE1-CD1 3.95Å; F16-L144 HydrophobicContact CE2-CB 4.4Å; F16-L144 HydrophobicContact CE2-CD1 4.29Å; F16-L144 HydrophobicContact CG-CB 3.79Å; F16-L144 HydrophobicContact CG-CD1 4.09Å; F16-L144 HydrophobicContact CZ-CD1 4.13Å; V26-L144 HydrophobicContact CG1-CD1 3.97Å; V36-L144 HydrophobicContact CG1-CD1 4.09Å; V68-L144 HydrophobicContact CG1-CD2 4.01Å; V69-L144 HydrophobicContact CG1-CD1 4.41Å; V69-L144 HydrophobicContact CG1-CD2 4.24Å; H72-L144 HydrophobicContact CB-CD2 4.13Å; F73-L144 HydrophobicContact CE2-CD2 4.01Å; E140-L144 HydrophobicContact CG-CD1 4.34Å; E140-L144 WeakPolarHBondContact O-CG 3.43Å; E140-L144 PolarHBondContact O-N 2.85Å; A141-L144 PolarHBondContact O-N 2.7Å; A142-L144 VanDerWaalsContact C-N 3.33Å; A142-L144 PolarHBondContact O-N 3.34Å; L144-V146 PolarHBondContact O-N 3.24Å; L144-Y147 PolarHBondContact O-N 2.83Å; L144-F148 VanDerWaalsContact O-CD2 3.31Å; L144-F148 WeakPolarHBondContact O-CD2 3.47Å
145R98.4Very high97Very high75 Ų7568.1 Ų68.128%0.28334%0.343SS..Hα-helixtrans-56.2-33.6177.6-79.9175.6-159.6110.12.8112.9P12 S13 V15 F16 A141 A142 Y147 F148P12-R145 PolarHBondContact O-NH2 2.89Å; S13-R145 PolarHBondContact O-NH2 2.97Å; V15-R145 VanDerWaalsContact O-CZ 3.25Å; V15-R145 PolarHBondContact O-NE 3.4Å; V15-R145 PolarHBondContact O-NH2 3.03Å; F16-R145 HydrophobicContact CB-CG 3.88Å; F16-R145 WeakPolarHBondContact O-CG 3.16Å; A141-R145 VanDerWaalsContact O-CG 3.28Å; A141-R145 WeakPolarHBondContact O-CG 3.37Å; A141-R145 PolarHBondContact O-N 3.43Å; A142-R145 VanDerWaalsContact CA-NH1 3.3Å; A142-R145 PolarHBondContact O-N 3.17Å; R145-Y147 PolarHBondContact O-N 3.47Å; R145-F148 PolarHBondContact O-N 3.32Å; R145-F148 VanDerWaalsContact O-N 3.08Å
146V98.2Very high97.1Very high88 Ų8863.1 Ų63.153%0.53332%0.322SS..G310 helixtrans-58.6-30.3-177.6179.40000112.1L144 F148L144-V146 PolarHBondContact O-N 3.24Å; V146-F148 VanDerWaalsContact C-N 3.28Å; V146-F148 PolarHBondContact O-N 3.08Å
147Y98.2Very high97.1Very high88 Ų8860.6 Ų60.635%0.34531%0.312SS..G310 helixtrans-78.5-8.9-178.8-63.9-91.8000114.4V68 K71 H72 A143 L144 R145V68-Y147 HydrophobicContact CG1-CD1 4.34Å; V68-Y147 HydrophobicContact CG1-CD2 3.74Å; V68-Y147 HydrophobicContact CG1-CE2 4.5Å; V68-Y147 HydrophobicContact CG1-CG 3.64Å; V68-Y147 HydrophobicContact CG2-CG 4.28Å; K71-Y147 HydrophobicContact CD-CE1 4.15Å; H72-Y147 HydrophobicContact CB-CE2 4.11Å; H72-Y147 AromaticContact ND1-CE2 3.43Å; H72-Y147 WeakPolarHBondContact ND1-CE2 3.15Å; H72-Y147 AromaticContact ND1-CZ 3.58Å; H72-Y147 PolarHBondContact ND1-OH 3.15Å; A143-Y147 WeakPolarHBondContact O-CD2 3.31Å; L144-Y147 PolarHBondContact O-N 2.83Å; R145-Y147 PolarHBondContact O-N 3.47Å
148F96.3Very high97.1Very high41 Ų4164.3 Ų64.318%0.1833%0.331CS..G310 helixtrans-112.711.7-178.2-58.4-73.4000113.1F16 L17 R64 V65 V68 L144 R145 V146F16-F148 HydrophobicContact CD2-CD2 4.2Å; F16-F148 AromaticContact CD2-CE2 3.58Å; F16-F148 HydrophobicContact CD2-CE2 3.58Å; F16-F148 HydrophobicContact CD2-CZ 4.42Å; F16-F148 AromaticContact CE2-CE2 3.74Å; F16-F148 HydrophobicContact CE2-CE2 3.74Å; F16-F148 HydrophobicContact CE2-CZ 4.17Å; L17-F148 HydrophobicContact CB-CD2 4.38Å; L17-F148 HydrophobicContact CB-CE2 4.45Å; L17-F148 HydrophobicContact CD1-CB 4.11Å; L17-F148 HydrophobicContact CD1-CD1 4.07Å; L17-F148 HydrophobicContact CD1-CG 4Å; L17-F148 HydrophobicContact CD2-CD1 3.92Å; L17-F148 HydrophobicContact CD2-CE1 3.72Å; L17-F148 HydrophobicContact CD2-CG 4.39Å; L17-F148 HydrophobicContact CD2-CZ 4.03Å; R64-F148 HydrophobicContact CB-CE1 4.23Å; V65-F148 HydrophobicContact CG2-CZ 4.25Å; V68-F148 HydrophobicContact CB-CE1 4.42Å; V68-F148 HydrophobicContact CB-CE2 4.21Å; V68-F148 HydrophobicContact CB-CZ 3.72Å; V68-F148 HydrophobicContact CG1-CE2 3.95Å; V68-F148 HydrophobicContact CG1-CZ 3.99Å; V68-F148 HydrophobicContact CG2-CD1 4.48Å; V68-F148 HydrophobicContact CG2-CE1 3.68Å; V68-F148 HydrophobicContact CG2-CE2 4.07Å; V68-F148 HydrophobicContact CG2-CZ 3.45Å; V68-F148 VanDerWaalsContact CG2-CZ 3.45Å; L144-F148 VanDerWaalsContact O-CD2 3.31Å; L144-F148 WeakPolarHBondContact O-CD2 3.47Å; R145-F148 PolarHBondContact O-N 3.32Å; R145-F148 VanDerWaalsContact O-N 3.08Å; V146-F148 VanDerWaalsContact C-N 3.28Å; V146-F148 PolarHBondContact O-N 3.08Å
149Q85.4Confident97Very high213 Ų21367.7 Ų67.7100%0.99534%0.342SS*.  trans-79.10172.2-65.4178.32.400111.7

Retrieved 149 of 149 residues in 36.5 ms (Link to these results)

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