A0A5K4F8Q6_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A5K4F8Q6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 89 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
1M42.7Very low80.7Confident240 Ų240110.9 Ų110.9100%1.18258%0.578SS**  01180-84.6175.3179.200107C3M1-C3 PolarHBondContact O-N 2.81Å; M1-C3 VanDerWaalsContact O-N 3.15Å
2E50.9Low82.2Confident182 Ų182106.1 Ų106.185%0.8555%0.553SS**  trans-62.1114.5163.1-90179.8121.200107.4K4E2-K4 PolarHBondContact O-N 3.12Å
3C55.6Low83.4Confident124 Ų12499 Ų9984%0.83852%0.516SS*.  trans-58.5108.2164.5-97.20000106.7M1 K5M1-C3 PolarHBondContact O-N 2.81Å; M1-C3 VanDerWaalsContact O-N 3.15Å; C3-K5 VanDerWaalsContact C-N 3.34Å; C3-K5 PolarHBondContact O-N 3.15Å
4K70Confident84.4Confident76 Ų7696.7 Ų96.733%0.3351%0.513SS..  trans-58.698.9175.9-67.9-176.5179.8178.10107.6E2 A6 L78 Q79E2-K4 PolarHBondContact O-N 3.12Å; K4-A6 PolarHBondContact O-N 2.97Å; K4-L78 HydrophobicContact CB-CD2 4.09Å; K4-L78 WeakPolarHBondContact O-CD2 3.4Å; K4-Q79 HydrophobicContact CD-CG 4.44Å; K4-Q79 HydrophobicContact CG-CG 4.34Å
5K86.3Confident85.3Confident178 Ų17898.8 Ų98.877%0.77452%0.524SS*.  trans-68.2118.6-176.9-172.5175.3-179.7177.80108.8C3C3-K5 VanDerWaalsContact C-N 3.34Å; C3-K5 PolarHBondContact O-N 3.15Å
6A95.3Very high86.1Confident25 Ų25101.3 Ų101.321%0.20754%0.538CS..EExtended strand (participates in β ladder)trans-71.8141.8171.400000110.5K4 V22 F76 Y77 L78K4-A6 PolarHBondContact O-N 2.97Å; A6-V22 HydrophobicContact CB-CB 4.23Å; A6-V22 HydrophobicContact CB-CG1 3.54Å; A6-V22 HydrophobicContact CB-CG2 3.58Å; A6-F76 HydrophobicContact CB-CD2 4.2Å; A6-Y77 CarbonylContact C-O 3.56Å; A6-Y77 VanDerWaalsContact CA-O 3.29Å; A6-Y77 WeakPolarHBondContact CA-O 3.45Å; A6-L78 HydrophobicContact CB-CD2 3.93Å; A6-L78 HydrophobicContact CB-CG 4.47Å
7V96.8Very high86.8Confident69 Ų6996.8 Ų96.842%0.41851%0.513SS..EExtended strand (participates in β ladder)trans-114.998.2171.3-178.80000107.7K9 F76 Y77V7-K9 HydrophobicContact CG1-CD 4.3Å; V7-K9 PolarHBondContact O-N 3.22Å; V7-F76 CarbonylContact O-C 3.51Å; V7-F76 VanDerWaalsContact O-CA 3.3Å; V7-F76 WeakPolarHBondContact O-CA 3.29Å; V7-Y77 PolarHBondContact N-O 2.84Å; V7-Y77 PolarHBondContact O-N 3.33Å
8V97.4Very high87.5Confident62 Ų6293.3 Ų93.338%0.37649%0.493SS..EExtended strand (participates in β ladder)trans-69.7127.3174.5-176.20000109A11 I74 F76V8-A11 HydrophobicContact CG1-CB 4Å; V8-I74 HydrophobicContact CG1-CG1 4.36Å; V8-F76 HydrophobicContact CB-CB 4.39Å; V8-F76 HydrophobicContact CG2-CB 4.12Å
9K97.3Very high88Confident132 Ų13293.7 Ų93.757%0.57449%0.493SS*.EExtended strand (participates in β ladder)trans-102.6-36.8180-67.8-61.2-174.8-178.20111.8V7 Y75 Y77V7-K9 HydrophobicContact CG1-CD 4.3Å; V7-K9 PolarHBondContact O-N 3.22Å; K9-Y75 HydrophobicContact CB-CD1 3.52Å; K9-Y75 HydrophobicContact CB-CE1 3.82Å; K9-Y75 HydrophobicContact CB-CG 4.5Å; K9-Y75 HydrophobicContact CG-CD1 4.23Å; K9-Y75 HydrophobicContact CG-CE1 4.08Å; K9-Y75 PolarHBondContact N-O 2.84Å; K9-Y77 HydrophobicContact CG-CD2 3.8Å; K9-Y77 HydrophobicContact CG-CE2 4.04Å
10N97.5Very high88.5Confident97 Ų9790.5 Ų90.552%0.51948%0.477SS..EExtended strand (participates in β ladder)trans-154.8144.3174.1-166.912.7000109.4F73 Y75N10-F73 HydrophobicContact CB-CE1 4.14Å; N10-Y75 PolarHBondContact N-O 3.47Å; N10-Y75 VanDerWaalsContact N-O 3.12Å; N10-Y75 PolarHBondContact O-N 2.86Å
11A98.1Very high89Confident35 Ų3586.1 Ų86.129%0.28946%0.455SS..EExtended strand (participates in β ladder)trans-153137.9177.600000110.3V8 Q18 F73 I74V8-A11 HydrophobicContact CG1-CB 4Å; A11-Q18 HydrophobicContact CB-CG 4.19Å; A11-F73 CarbonylContact C-O 3.56Å; A11-F73 WeakPolarHBondContact CA-O 3.2Å; A11-I74 HydrophobicContact CB-CG1 4.04Å
12D98.3Very high91.6Very high53 Ų5375.4 Ų75.428%0.28340%0.403SS..EExtended strand (participates in β ladder)trans-129.378.2165.1177.434.4000106.6H68 N71 N72 F73D12-H68 IonicContact OD2-NE2 2.63Å; D12-N71 CarbonylContact O-C 3.56Å; D12-N71 WeakPolarHBondContact O-CA 3.25Å; D12-N71 PolarHBondContact OD2-N 2.98Å; D12-N72 PolarHBondContact O-N 3.04Å; D12-F73 CarbonylContact C-O 3.54Å; D12-F73 HydrophobicContact CB-CB 4.35Å; D12-F73 PolarHBondContact N-O 2.82Å; D12-F73 PolarHBondContact O-N 2.99Å
13M98.1Very high93.8Very high14 Ų1470.9 Ų70.97%0.06938%0.384CS..SBendtrans-172.5166.6175.955.5171.550.800109.9M17 Q18 W54 N71 I74M13-M17 HydrophobicContact CB-CB 4.39Å; M13-M17 HydrophobicContact CB-SD 4.05Å; M13-M17 HydrophobicContact CE-CG 4.06Å; M13-M17 HydrophobicContact CE-SD 3.68Å; M13-M17 HydrophobicContact SD-CB 4.01Å; M13-M17 HydrophobicContact SD-CG 3.72Å; M13-M17 HydrophobicContact SD-SD 4.04Å; M13-Q18 HydrophobicContact CG-CG 3.59Å; M13-Q18 PolarHBondContact O-NE2 2.89Å; M13-Q18 VanDerWaalsContact O-NE2 3.07Å; M13-Q18 HydrophobicContact SD-CG 3.96Å; M13-W54 HydrophobicContact CE-CH2 3.86Å; M13-W54 HydrophobicContact CE-CZ3 3.92Å; M13-N71 VanDerWaalsContact CB-O 3.31Å; M13-N71 WeakPolarHBondContact CB-O 3.3Å; M13-I74 HydrophobicContact CE-CB 4.14Å; M13-I74 HydrophobicContact CE-CG2 4.04Å; M13-I74 HydrophobicContact CG-CB 4.41Å; M13-I74 HydrophobicContact SD-CB 3.75Å; M13-I74 HydrophobicContact SD-CD1 4.39Å; M13-I74 HydrophobicContact SD-CG2 3.91Å
14S98Very high95.8Very high67 Ų6765.3 Ų65.347%0.46935%0.346SS..  trans-66.5152179.6650000113.2D16 M17 Q18S14-D16 VanDerWaalsContact C-N 3.25Å; S14-D16 PolarHBondContact O-N 2.92Å; S14-M17 WeakPolarHBondContact O-CA 3.38Å; S14-M17 WeakPolarHBondContact O-CB 3.3Å; S14-M17 PolarHBondContact O-N 3.06Å; S14-M17 WeakPolarHBondContact OG-CB 3.43Å; S14-M17 PolarHBondContact OG-N 3.06Å; S14-Q18 WeakPolarHBondContact O-CG 3.35Å; S14-Q18 PolarHBondContact O-N 2.91Å
15D97.8Very high97.2Very high128 Ų12861.7 Ų61.768%0.68433%0.331SS*.Hα-helixtrans-56-39.2179.1-67.1-17.5000112.5M17 Q18 Q19D15-M17 VanDerWaalsContact C-N 3.32Å; D15-M17 PolarHBondContact O-N 2.86Å; D15-Q18 WeakPolarHBondContact O-CB 3.42Å; D15-Q18 PolarHBondContact O-N 3.4Å; D15-Q19 WeakPolarHBondContact O-CB 3.5Å; D15-Q19 PolarHBondContact O-N 3.01Å
16D97.9Very high97.7Very high138 Ų13854.5 Ų54.574%0.73830%0.304SS*.Hα-helixtrans-61.4-40.2175.5-68.3-18.8000112S14 C20S14-D16 VanDerWaalsContact C-N 3.25Å; S14-D16 PolarHBondContact O-N 2.92Å; D16-C20 WeakPolarHBondContact O-CB 3.43Å; D16-C20 PolarHBondContact O-N 3.32Å
17M98.3Very high97.8Very high25 Ų2557.5 Ų57.512%0.12331%0.314CS..Hα-helixtrans-72.2-36177.4-167.4178.2-64.200111.3M13 S14 D15 C20 A21 F46 Y50 W54M13-M17 HydrophobicContact CB-CB 4.39Å; M13-M17 HydrophobicContact CB-SD 4.05Å; M13-M17 HydrophobicContact CE-CG 4.06Å; M13-M17 HydrophobicContact CE-SD 3.68Å; M13-M17 HydrophobicContact SD-CB 4.01Å; M13-M17 HydrophobicContact SD-CG 3.72Å; M13-M17 HydrophobicContact SD-SD 4.04Å; S14-M17 WeakPolarHBondContact O-CA 3.38Å; S14-M17 WeakPolarHBondContact O-CB 3.3Å; S14-M17 PolarHBondContact O-N 3.06Å; S14-M17 WeakPolarHBondContact OG-CB 3.43Å; S14-M17 PolarHBondContact OG-N 3.06Å; D15-M17 VanDerWaalsContact C-N 3.32Å; D15-M17 PolarHBondContact O-N 2.86Å; M17-C20 PolarHBondContact O-N 3.12Å; M17-A21 PolarHBondContact O-N 3.34Å; M17-F46 HydrophobicContact CG-CE1 3.9Å; M17-F46 HydrophobicContact SD-CE1 4.44Å; M17-Y50 HydrophobicContact CE-CD1 3.6Å; M17-Y50 HydrophobicContact CE-CE1 3.72Å; M17-Y50 HydrophobicContact CE-CG 4.17Å; M17-Y50 HydrophobicContact CG-CE1 4.37Å; M17-Y50 HydrophobicContact CG-CE2 4.33Å; M17-W54 HydrophobicContact SD-CH2 3.82Å; M17-W54 HydrophobicContact SD-CZ2 4.26Å
18Q98.5Very high97.8Very high34 Ų3454.2 Ų54.216%0.15929%0.294CS..Hα-helixtrans-62.3-45.2173.4-62.7-178.742.900111.2A11 M13 S14 D15 A21 V22 I74A11-Q18 HydrophobicContact CB-CG 4.19Å; M13-Q18 HydrophobicContact CG-CG 3.59Å; M13-Q18 PolarHBondContact O-NE2 2.89Å; M13-Q18 VanDerWaalsContact O-NE2 3.07Å; M13-Q18 HydrophobicContact SD-CG 3.96Å; S14-Q18 WeakPolarHBondContact O-CG 3.35Å; S14-Q18 PolarHBondContact O-N 2.91Å; D15-Q18 WeakPolarHBondContact O-CB 3.42Å; D15-Q18 PolarHBondContact O-N 3.4Å; Q18-A21 WeakPolarHBondContact O-CB 3.37Å; Q18-A21 PolarHBondContact O-N 2.85Å; Q18-V22 WeakPolarHBondContact O-CG2 3.45Å; Q18-V22 PolarHBondContact O-N 3.25Å; Q18-I74 HydrophobicContact CB-CD1 3.76Å; Q18-I74 HydrophobicContact CG-CD1 3.81Å
19Q97.5Very high97.7Very high102 Ų10252.7 Ų52.748%0.47728%0.283SS..Hα-helixtrans-62.8-43.9177.2-172.556.953.300110.9D15 A21 V22 D23D15-Q19 WeakPolarHBondContact O-CB 3.5Å; D15-Q19 PolarHBondContact O-N 3.01Å; Q19-A21 VanDerWaalsContact C-N 3.32Å; Q19-A21 PolarHBondContact O-N 2.89Å; Q19-V22 PolarHBondContact O-N 3.08Å; Q19-D23 PolarHBondContact NE2-OD1 3.27Å; Q19-D23 PolarHBondContact NE2-OD2 2.79Å; Q19-D23 WeakPolarHBondContact O-CB 3.26Å; Q19-D23 PolarHBondContact O-N 3.29Å
20C97.8Very high97.6Very high28 Ų2851.9 Ų51.919%0.18929%0.29CS..Hα-helixtrans-58.1-42.1173.3-176.50000112.3D16 M17 D23 T24 F46 Y50D16-C20 WeakPolarHBondContact O-CB 3.43Å; D16-C20 PolarHBondContact O-N 3.32Å; M17-C20 PolarHBondContact O-N 3.12Å; C20-D23 PolarHBondContact O-N 2.86Å; C20-T24 WeakPolarHBondContact O-CB 3.25Å; C20-T24 PolarHBondContact O-N 2.82Å; C20-T24 PolarHBondContact O-OG1 2.98Å; C20-F46 HydrophobicContact CB-CZ 4.45Å; C20-Y50 PolarHBondContact SG-OH 3.23Å
21A98.5Very high97.6Very high0 Ų052.2 Ų52.20%029%0.288CS..Hα-helixtrans-62.8-43.8177.600000111.9M17 Q18 Q19 A25 F46 I74 F76 L85M17-A21 PolarHBondContact O-N 3.34Å; Q18-A21 WeakPolarHBondContact O-CB 3.37Å; Q18-A21 PolarHBondContact O-N 2.85Å; Q19-A21 VanDerWaalsContact C-N 3.32Å; Q19-A21 PolarHBondContact O-N 2.89Å; A21-A25 VanDerWaalsContact O-CB 3.26Å; A21-A25 WeakPolarHBondContact O-CB 3.47Å; A21-A25 PolarHBondContact O-N 3.3Å; A21-F46 VanDerWaalsContact CA-CZ 3.5Å; A21-F46 HydrophobicContact CB-CE1 4.39Å; A21-F46 HydrophobicContact CB-CE2 4.17Å; A21-F46 HydrophobicContact CB-CZ 3.59Å; A21-I74 HydrophobicContact CB-CD1 4.3Å; A21-I74 HydrophobicContact CB-CG2 4.03Å; A21-F76 HydrophobicContact CB-CE1 4.18Å; A21-L85 HydrophobicContact CB-CD2 3.96Å
22V97.9Very high97.6Very high15 Ų1554.8 Ų54.89%0.09129%0.291CS..Hα-helixtrans-63.8-48.1177.6166.80000111.4A6 Q18 Q19 A25 A26 F76 L78A6-V22 HydrophobicContact CB-CB 4.23Å; A6-V22 HydrophobicContact CB-CG1 3.54Å; A6-V22 HydrophobicContact CB-CG2 3.58Å; Q18-V22 WeakPolarHBondContact O-CG2 3.45Å; Q18-V22 PolarHBondContact O-N 3.25Å; Q19-V22 PolarHBondContact O-N 3.08Å; V22-A25 PolarHBondContact O-N 3.28Å; V22-A26 WeakPolarHBondContact O-CB 3.41Å; V22-A26 PolarHBondContact O-N 2.9Å; V22-F76 HydrophobicContact CB-CE2 4.46Å; V22-F76 HydrophobicContact CG2-CD2 3.98Å; V22-F76 HydrophobicContact CG2-CE2 3.88Å; V22-F76 HydrophobicContact CG2-CG 4.36Å; V22-F76 HydrophobicContact CG2-CZ 4.17Å; V22-L78 HydrophobicContact CG1-CD2 4.49Å
23D97.4Very high97.4Very high86 Ų8658 Ų5846%0.4632%0.317SS..Hα-helixtrans-66.1-43.2-178.8-68.5-26.8000111.4Q19 C20 A25 A26 Q27Q19-D23 PolarHBondContact NE2-OD1 3.27Å; Q19-D23 PolarHBondContact NE2-OD2 2.79Å; Q19-D23 WeakPolarHBondContact O-CB 3.26Å; Q19-D23 PolarHBondContact O-N 3.29Å; C20-D23 PolarHBondContact O-N 2.86Å; D23-A25 VanDerWaalsContact C-N 3.33Å; D23-A25 PolarHBondContact O-N 3.03Å; D23-A26 PolarHBondContact O-N 3.18Å; D23-Q27 WeakPolarHBondContact O-CB 3.42Å; D23-Q27 PolarHBondContact O-N 2.88Å
24T98.2Very high97.3Very high7 Ų761.8 Ų61.84%0.04334%0.337CS..Hα-helixtrans-60.5-43.4175.3-57.10000110.9C20 Q27 A28 Y41 I42 H45C20-T24 WeakPolarHBondContact O-CB 3.25Å; C20-T24 PolarHBondContact O-N 2.82Å; C20-T24 PolarHBondContact O-OG1 2.98Å; T24-Q27 PolarHBondContact O-N 3.23Å; T24-A28 VanDerWaalsContact O-CB 3.31Å; T24-A28 WeakPolarHBondContact O-CB 3.37Å; T24-A28 PolarHBondContact O-N 2.79Å; T24-Y41 HydrophobicContact CG2-CD1 4.02Å; T24-Y41 HydrophobicContact CG2-CE1 3.78Å; T24-I42 HydrophobicContact CG2-CB 4.43Å; T24-I42 HydrophobicContact CG2-CG1 4.22Å; T24-I42 HydrophobicContact CG2-CG2 4.44Å; T24-H45 HydrophobicContact CG2-CB 3.79Å
25A98Very high97.3Very high0 Ų062.5 Ų62.50%033%0.333CS..Hα-helixtrans-68-38.9177.100000112.3A21 V22 D23 A28 M29 I42 F76 L78 V83A21-A25 VanDerWaalsContact O-CB 3.26Å; A21-A25 WeakPolarHBondContact O-CB 3.47Å; A21-A25 PolarHBondContact O-N 3.3Å; V22-A25 PolarHBondContact O-N 3.28Å; D23-A25 VanDerWaalsContact C-N 3.33Å; D23-A25 PolarHBondContact O-N 3.03Å; A25-A28 PolarHBondContact O-N 3.26Å; A25-M29 WeakPolarHBondContact O-CB 3.5Å; A25-M29 VanDerWaalsContact O-CG 3.25Å; A25-M29 WeakPolarHBondContact O-CG 3.41Å; A25-M29 PolarHBondContact O-N 2.92Å; A25-I42 HydrophobicContact CB-CD1 3.66Å; A25-I42 HydrophobicContact CB-CG1 4.29Å; A25-F76 HydrophobicContact CB-CE2 4.01Å; A25-F76 HydrophobicContact CB-CZ 3.69Å; A25-L78 HydrophobicContact CB-CD1 3.66Å; A25-V83 HydrophobicContact CB-CG2 4.29Å
26A96.8Very high97.3Very high27 Ų2763.2 Ų63.222%0.22333%0.33CS..Hα-helixtrans-63.9-41.3176.500000111.8V22 D23 T30 L78V22-A26 WeakPolarHBondContact O-CB 3.41Å; V22-A26 PolarHBondContact O-N 2.9Å; D23-A26 PolarHBondContact O-N 3.18Å; A26-T30 PolarHBondContact O-N 3.42Å; A26-T30 PolarHBondContact O-OG1 3.48Å; A26-L78 HydrophobicContact CB-CD1 4.3Å
27Q96.8Very high97.4Very high88 Ų8859.1 Ų59.141%0.41131%0.308SS..Hα-helixtrans-62.7-50.2172.6178.9174.2-7.300110.9D23 T24 M29 T30 E31 Y41D23-Q27 WeakPolarHBondContact O-CB 3.42Å; D23-Q27 PolarHBondContact O-N 2.88Å; T24-Q27 PolarHBondContact O-N 3.23Å; Q27-M29 VanDerWaalsContact C-N 3.29Å; Q27-M29 PolarHBondContact O-N 2.91Å; Q27-T30 WeakPolarHBondContact O-CA 3.47Å; Q27-T30 WeakPolarHBondContact O-CB 3.49Å; Q27-T30 PolarHBondContact O-N 2.99Å; Q27-E31 WeakPolarHBondContact CG-OE1 3.46Å; Q27-E31 PolarHBondContact NE2-OE1 3.38Å; Q27-E31 PolarHBondContact O-N 2.9Å; Q27-E31 VanDerWaalsContact O-N 3.08Å; Q27-Y41 VanDerWaalsContact CD-OH 3.25Å; Q27-Y41 PolarHBondContact NE2-OH 3.07Å
28A97.6Very high97.4Very high0 Ų058.4 Ų58.40%031%0.305CS..Hα-helixtrans-58.2-40.7179.500000112.3T24 A25 T30 E31 Y32 I38 Y41 I42T24-A28 VanDerWaalsContact O-CB 3.31Å; T24-A28 WeakPolarHBondContact O-CB 3.37Å; T24-A28 PolarHBondContact O-N 2.79Å; A25-A28 PolarHBondContact O-N 3.26Å; A28-T30 PolarHBondContact O-N 3.2Å; A28-E31 PolarHBondContact O-N 3.23Å; A28-Y32 HydrophobicContact CB-CD2 4.42Å; A28-Y32 WeakPolarHBondContact O-CB 3.48Å; A28-Y32 WeakPolarHBondContact O-CD2 3.48Å; A28-Y32 PolarHBondContact O-N 2.98Å; A28-I38 HydrophobicContact CB-CB 4.48Å; A28-I38 HydrophobicContact CB-CG2 3.8Å; A28-Y41 HydrophobicContact CB-CD1 3.6Å; A28-Y41 HydrophobicContact CB-CE1 4.26Å; A28-Y41 HydrophobicContact CB-CG 4.08Å; A28-I42 HydrophobicContact CB-CG1 4.13Å
29M96.1Very high97.4Very high30 Ų3057.4 Ų57.415%0.14830%0.303CS..Hα-helixtrans-70.5-11.8175.7-71.2-177.3-172.200114.2A25 Q27 I38 L78 V81 V83A25-M29 WeakPolarHBondContact O-CB 3.5Å; A25-M29 VanDerWaalsContact O-CG 3.25Å; A25-M29 WeakPolarHBondContact O-CG 3.41Å; A25-M29 PolarHBondContact O-N 2.92Å; Q27-M29 VanDerWaalsContact C-N 3.29Å; Q27-M29 PolarHBondContact O-N 2.91Å; M29-I38 HydrophobicContact CG-CD1 4.11Å; M29-I38 HydrophobicContact CG-CG2 4.06Å; M29-L78 HydrophobicContact CE-CB 3.99Å; M29-L78 HydrophobicContact CE-CD1 4.03Å; M29-L78 HydrophobicContact SD-CB 3.81Å; M29-L78 HydrophobicContact SD-CD1 3.88Å; M29-V81 HydrophobicContact CE-CB 3.87Å; M29-V81 HydrophobicContact CE-CG1 3.61Å; M29-V83 HydrophobicContact CE-CG2 3.59Å
30T95.5Very high97.4Very high116 Ų11654.2 Ų54.271%0.71229%0.294SS*.Hα-helixtrans-90.5-34.4173.2-550000110.9A26 Q27 A28A26-T30 PolarHBondContact O-N 3.42Å; A26-T30 PolarHBondContact O-OG1 3.48Å; Q27-T30 WeakPolarHBondContact O-CA 3.47Å; Q27-T30 WeakPolarHBondContact O-CB 3.49Å; Q27-T30 PolarHBondContact O-N 2.99Å; A28-T30 PolarHBondContact O-N 3.2Å
31E96.8Very high97.5Very high103 Ų10355.3 Ų55.348%0.48129%0.294SS..Hα-helixtrans-87.4-31.6-178.1-67.3179.6-161.100113.4Q27 A28Q27-E31 WeakPolarHBondContact CG-OE1 3.46Å; Q27-E31 PolarHBondContact NE2-OE1 3.38Å; Q27-E31 PolarHBondContact O-N 2.9Å; Q27-E31 VanDerWaalsContact O-N 3.08Å; A28-E31 PolarHBondContact O-N 3.23Å
32Y97.3Very high97.5Very high89 Ų8955.3 Ų55.335%0.34929%0.294SS..  trans-123.7141.6-173.2-53.8-76.7000111.8A28 D37 Y41A28-Y32 HydrophobicContact CB-CD2 4.42Å; A28-Y32 WeakPolarHBondContact O-CB 3.48Å; A28-Y32 WeakPolarHBondContact O-CD2 3.48Å; A28-Y32 PolarHBondContact O-N 2.98Å; Y32-D37 HydrophobicContact CD1-CB 3.93Å; Y32-D37 HydrophobicContact CG-CB 4.11Å; Y32-Y41 AromaticContact CE2-CD2 3.46Å; Y32-Y41 HydrophobicContact CE2-CD2 3.46Å; Y32-Y41 VanDerWaalsContact CE2-CD2 3.46Å; Y32-Y41 HydrophobicContact CE2-CE2 4.2Å; Y32-Y41 AromaticContact CE2-CG 3.81Å; Y32-Y41 HydrophobicContact CE2-CG 3.81Å
33S94.7Very high97.5Very high120 Ų12057.4 Ų57.484%0.83930%0.302SS*.  trans-101.2-17.8177.157.10000113.8
34I97Very high97.6Very high95 Ų9560.5 Ų60.549%0.48731%0.311SS..SBendtrans-98.2126.5-177.5-58.8177.1000109.4K36 D37 I38I34-K36 HydrophobicContact CG2-CB 4.1Å; I34-K36 PolarHBondContact O-N 2.91Å; I34-D37 PolarHBondContact O-N 2.68Å; I34-I38 WeakPolarHBondContact O-CG1 3.49Å; I34-I38 PolarHBondContact O-N 3.5Å; I34-I38 VanDerWaalsContact O-N 3.1Å
35E97.5Very high97.6Very high82 Ų8262.6 Ų62.638%0.38332%0.32SS..Hα-helixtrans-52.4-41-177.7-66.7174.8159.300112.9D37 I38 A39 V58 G59 K60E35-D37 VanDerWaalsContact C-N 3.32Å; E35-D37 PolarHBondContact O-N 2.91Å; E35-I38 PolarHBondContact O-N 3.44Å; E35-A39 WeakPolarHBondContact O-CB 3.34Å; E35-A39 PolarHBondContact O-N 2.96Å; E35-V58 HydrophobicContact CB-CB 4.38Å; E35-V58 HydrophobicContact CB-CG1 4.24Å; E35-V58 HydrophobicContact CG-CG1 4.29Å; E35-G59 WeakPolarHBondContact OE1-CA 3.49Å; E35-K60 PolarHBondContact OE1-N 3.44Å
36K98Very high97.7Very high142 Ų14262.6 Ų62.662%0.61732%0.32SS*.Hα-helixtrans-57.8-42.1175.6-174.8-169.864.663.70112.5I34 A40I34-K36 HydrophobicContact CG2-CB 4.1Å; I34-K36 PolarHBondContact O-N 2.91Å; K36-A40 VanDerWaalsContact O-CB 3.31Å; K36-A40 WeakPolarHBondContact O-CB 3.21Å; K36-A40 PolarHBondContact O-N 2.92Å
37D98.5Very high97.7Very high52 Ų5262.9 Ų62.928%0.27832%0.318SS..Hα-helixtrans-76.5-36.4-176.4-62.4-31.9000111Y32 I34 E35 A40 Y41Y32-D37 HydrophobicContact CD1-CB 3.93Å; Y32-D37 HydrophobicContact CG-CB 4.11Å; I34-D37 PolarHBondContact O-N 2.68Å; E35-D37 VanDerWaalsContact C-N 3.32Å; E35-D37 PolarHBondContact O-N 2.91Å; D37-A40 PolarHBondContact O-N 3.38Å; D37-Y41 WeakPolarHBondContact O-CB 3.49Å; D37-Y41 PolarHBondContact O-N 2.9Å
38I98.4Very high97.8Very high11 Ų1167.3 Ų67.36%0.05634%0.336CS..Hα-helixtrans-58.4-52170.5-60.7165.5000110A28 M29 I34 E35 A40 Y41 I42 V58A28-I38 HydrophobicContact CB-CB 4.48Å; A28-I38 HydrophobicContact CB-CG2 3.8Å; M29-I38 HydrophobicContact CG-CD1 4.11Å; M29-I38 HydrophobicContact CG-CG2 4.06Å; I34-I38 WeakPolarHBondContact O-CG1 3.49Å; I34-I38 PolarHBondContact O-N 3.5Å; I34-I38 VanDerWaalsContact O-N 3.1Å; E35-I38 PolarHBondContact O-N 3.44Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 2.8Å; I38-Y41 PolarHBondContact O-N 2.86Å; I38-I42 HydrophobicContact CG2-CD1 3.91Å; I38-I42 WeakPolarHBondContact O-CG1 3.35Å; I38-I42 PolarHBondContact O-N 2.8Å; I38-I42 VanDerWaalsContact O-N 3.09Å; I38-V58 HydrophobicContact CB-CG1 4.44Å; I38-V58 HydrophobicContact CG2-CG1 4.16Å; I38-V58 HydrophobicContact CG2-CG2 4.04Å
39A98.7Very high97.9Very high13 Ų1371.3 Ų71.311%0.10736%0.358CS..Hα-helixtrans-60.1-43.1179.200000111.9E35 Y41 I42 K43 C56 V58E35-A39 WeakPolarHBondContact O-CB 3.34Å; E35-A39 PolarHBondContact O-N 2.96Å; A39-Y41 VanDerWaalsContact C-N 3.34Å; A39-Y41 PolarHBondContact O-N 2.87Å; A39-I42 PolarHBondContact O-N 3.09Å; A39-K43 VanDerWaalsContact O-CB 3.29Å; A39-K43 WeakPolarHBondContact O-CB 3.48Å; A39-K43 PolarHBondContact O-N 3.38Å; A39-C56 HydrophobicContact CB-CB 4.27Å; A39-C56 WeakPolarHBondContact O-CB 3.11Å; A39-V58 HydrophobicContact CB-CB 4.2Å; A39-V58 HydrophobicContact CB-CG2 3.72Å
40A98.7Very high98Very high35 Ų3573.6 Ų73.629%0.28937%0.365SS..Hα-helixtrans-63.8-38.2178.100000112.5K36 D37 I38 K44K36-A40 VanDerWaalsContact O-CB 3.31Å; K36-A40 WeakPolarHBondContact O-CB 3.21Å; K36-A40 PolarHBondContact O-N 2.92Å; D37-A40 PolarHBondContact O-N 3.38Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 2.8Å; A40-K44 WeakPolarHBondContact O-CB 3.43Å; A40-K44 VanDerWaalsContact O-CG 3.25Å; A40-K44 WeakPolarHBondContact O-CG 3.36Å; A40-K44 PolarHBondContact O-N 2.95Å
41Y98.8Very high98.1Very high50 Ų5069.3 Ų69.320%0.19634%0.344CS..Hα-helixtrans-63.2-52175.7-179-84.8000111.4T24 Q27 A28 Y32 D37 I38 A39 K43 K44 H45T24-Y41 HydrophobicContact CG2-CD1 4.02Å; T24-Y41 HydrophobicContact CG2-CE1 3.78Å; Q27-Y41 VanDerWaalsContact CD-OH 3.25Å; Q27-Y41 PolarHBondContact NE2-OH 3.07Å; A28-Y41 HydrophobicContact CB-CD1 3.6Å; A28-Y41 HydrophobicContact CB-CE1 4.26Å; A28-Y41 HydrophobicContact CB-CG 4.08Å; Y32-Y41 AromaticContact CE2-CD2 3.46Å; Y32-Y41 HydrophobicContact CE2-CD2 3.46Å; Y32-Y41 VanDerWaalsContact CE2-CD2 3.46Å; Y32-Y41 HydrophobicContact CE2-CE2 4.2Å; Y32-Y41 AromaticContact CE2-CG 3.81Å; Y32-Y41 HydrophobicContact CE2-CG 3.81Å; D37-Y41 WeakPolarHBondContact O-CB 3.49Å; D37-Y41 PolarHBondContact O-N 2.9Å; I38-Y41 PolarHBondContact O-N 2.86Å; A39-Y41 VanDerWaalsContact C-N 3.34Å; A39-Y41 PolarHBondContact O-N 2.87Å; Y41-K43 PolarHBondContact O-N 2.9Å; Y41-K44 PolarHBondContact O-N 2.85Å; Y41-H45 WeakPolarHBondContact O-CB 3.41Å; Y41-H45 PolarHBondContact O-N 2.9Å
42I98.8Very high98.1Very high0 Ų068.8 Ų68.80%035%0.349CS..Hα-helixtrans-59.6-48.4-179.4-61.1163.1000110.1T24 A25 A28 I38 A39 K44 H45 F46 V58 V83 L85T24-I42 HydrophobicContact CG2-CB 4.43Å; T24-I42 HydrophobicContact CG2-CG1 4.22Å; T24-I42 HydrophobicContact CG2-CG2 4.44Å; A25-I42 HydrophobicContact CB-CD1 3.66Å; A25-I42 HydrophobicContact CB-CG1 4.29Å; A28-I42 HydrophobicContact CB-CG1 4.13Å; I38-I42 HydrophobicContact CG2-CD1 3.91Å; I38-I42 WeakPolarHBondContact O-CG1 3.35Å; I38-I42 PolarHBondContact O-N 2.8Å; I38-I42 VanDerWaalsContact O-N 3.09Å; A39-I42 PolarHBondContact O-N 3.09Å; I42-K44 PolarHBondContact O-N 3.23Å; I42-H45 WeakPolarHBondContact O-CB 3.31Å; I42-H45 PolarHBondContact O-N 3.41Å; I42-F46 HydrophobicContact CG2-CD2 4.23Å; I42-F46 WeakPolarHBondContact O-CD2 3.29Å; I42-F46 PolarHBondContact O-N 3.1Å; I42-V58 HydrophobicContact CD1-CG2 4.23Å; I42-V83 HydrophobicContact CD1-CG1 4.05Å; I42-L85 HydrophobicContact CG2-CD1 3.98Å; I42-L85 HydrophobicContact CG2-CD2 3.81Å; I42-L85 HydrophobicContact CG2-CG 4.42Å
43K98.8Very high98.2Very high59 Ų5967.1 Ų67.126%0.25735%0.349SS..Hα-helixtrans-54.4-52.3177-173.9-158.2-179.7-39.90111.6A39 Y41 H45 F46 D47 W54 C56A39-K43 VanDerWaalsContact O-CB 3.29Å; A39-K43 WeakPolarHBondContact O-CB 3.48Å; A39-K43 PolarHBondContact O-N 3.38Å; Y41-K43 PolarHBondContact O-N 2.9Å; K43-H45 VanDerWaalsContact C-N 3.32Å; K43-H45 PolarHBondContact O-N 3.38Å; K43-F46 PolarHBondContact O-N 3.43Å; K43-D47 IonicContact NZ-OD1 3.98Å; K43-D47 IonicContact NZ-OD2 3.54Å; K43-D47 PolarHBondContact NZ-OD2 2.87Å; K43-D47 PolarHBondContact O-N 3.43Å; K43-W54 WeakPolarHBondContact CE-O 3.47Å; K43-W54 HydrophobicContact CG-CB 4.32Å; K43-W54 WeakPolarHBondContact CG-O 3.45Å; K43-W54 PolarHBondContact NZ-O 3.43Å; K43-C56 HydrophobicContact CB-CB 4.08Å
44K98.7Very high98.4Very high151 Ų15161.4 Ų61.466%0.65731%0.309SS*.Hα-helixtrans-63-38.4-178.5-76.3175.2180179.20112.3A40 Y41 I42 K48A40-K44 WeakPolarHBondContact O-CB 3.43Å; A40-K44 VanDerWaalsContact O-CG 3.25Å; A40-K44 WeakPolarHBondContact O-CG 3.36Å; A40-K44 PolarHBondContact O-N 2.95Å; Y41-K44 PolarHBondContact O-N 2.85Å; I42-K44 PolarHBondContact O-N 3.23Å; K44-K48 WeakPolarHBondContact O-CB 3.3Å; K44-K48 PolarHBondContact O-N 3.31Å; K44-K48 VanDerWaalsContact O-N 3.1Å
45H98.8Very high98.4Very high51 Ų5160 Ų6024%0.23630%0.3CS..Hα-helixtrans-61.1-47175.6-175.5102.5000110.9T24 Y41 I42 K43 K48 N49T24-H45 HydrophobicContact CG2-CB 3.79Å; Y41-H45 WeakPolarHBondContact O-CB 3.41Å; Y41-H45 PolarHBondContact O-N 2.9Å; I42-H45 WeakPolarHBondContact O-CB 3.31Å; I42-H45 PolarHBondContact O-N 3.41Å; K43-H45 VanDerWaalsContact C-N 3.32Å; K43-H45 PolarHBondContact O-N 3.38Å; H45-K48 PolarHBondContact O-N 3.29Å; H45-N49 PolarHBondContact CD2-ND2 3.38Å; H45-N49 VanDerWaalsContact CD2-ND2 3.29Å; H45-N49 PolarHBondContact CE1-ND2 2.98Å; H45-N49 VanDerWaalsContact CE1-ND2 3.31Å; H45-N49 PolarHBondContact NE2-ND2 3.26Å; H45-N49 WeakPolarHBondContact O-CB 3.49Å; H45-N49 PolarHBondContact O-N 2.83Å
46F98.7Very high98.5Very high0 Ų057.2 Ų57.20%029%0.289CS..Hα-helixtrans-71-39.6-179.4-90.4-108.5000113.3M17 C20 A21 I42 K43 K48 N49 Y50 W54 L85M17-F46 HydrophobicContact CG-CE1 3.9Å; M17-F46 HydrophobicContact SD-CE1 4.44Å; C20-F46 HydrophobicContact CB-CZ 4.45Å; A21-F46 VanDerWaalsContact CA-CZ 3.5Å; A21-F46 HydrophobicContact CB-CE1 4.39Å; A21-F46 HydrophobicContact CB-CE2 4.17Å; A21-F46 HydrophobicContact CB-CZ 3.59Å; I42-F46 HydrophobicContact CG2-CD2 4.23Å; I42-F46 WeakPolarHBondContact O-CD2 3.29Å; I42-F46 PolarHBondContact O-N 3.1Å; K43-F46 PolarHBondContact O-N 3.43Å; F46-K48 PolarHBondContact O-N 3.02Å; F46-N49 PolarHBondContact O-N 2.93Å; F46-Y50 HydrophobicContact CB-CD2 4.36Å; F46-Y50 AromaticContact CD1-CD2 3.42Å; F46-Y50 HydrophobicContact CD1-CD2 3.42Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.42Å; F46-Y50 AromaticContact CD1-CE2 3.8Å; F46-Y50 HydrophobicContact CD1-CE2 3.8Å; F46-Y50 HydrophobicContact CD1-CG 4.43Å; F46-Y50 AromaticContact CE1-CD2 3.69Å; F46-Y50 HydrophobicContact CE1-CD2 3.69Å; F46-Y50 AromaticContact CE1-CE2 3.59Å; F46-Y50 HydrophobicContact CE1-CE2 3.59Å; F46-Y50 HydrophobicContact CE2-CE2 4.39Å; F46-Y50 AromaticContact CG-CD2 3.92Å; F46-Y50 HydrophobicContact CG-CD2 3.92Å; F46-Y50 HydrophobicContact CG-CE2 4.29Å; F46-Y50 HydrophobicContact CZ-CD2 4.38Å; F46-Y50 AromaticContact CZ-CE2 3.89Å; F46-Y50 HydrophobicContact CZ-CE2 3.89Å; F46-Y50 WeakPolarHBondContact O-CA 3.49Å; F46-Y50 WeakPolarHBondContact O-CB 3.4Å; F46-Y50 PolarHBondContact O-N 2.93Å; F46-W54 VanDerWaalsContact C-CD1 3.43Å; F46-W54 HydrophobicContact CB-CB 4.16Å; F46-W54 HydrophobicContact CB-CD2 3.69Å; F46-W54 HydrophobicContact CB-CE3 4.23Å; F46-W54 HydrophobicContact CB-CG 3.62Å; F46-W54 AromaticContact CD1-CD2 3.86Å; F46-W54 HydrophobicContact CD1-CD2 3.86Å; F46-W54 AromaticContact CD1-CE2 3.81Å; F46-W54 AromaticContact CD1-CE3 3.81Å; F46-W54 HydrophobicContact CD1-CE3 3.81Å; F46-W54 AromaticContact CD1-CH2 3.7Å; F46-W54 HydrophobicContact CD1-CH2 3.7Å; F46-W54 AromaticContact CD1-CZ2 3.75Å; F46-W54 HydrophobicContact CD1-CZ2 3.75Å; F46-W54 AromaticContact CD1-CZ3 3.73Å; F46-W54 HydrophobicContact CD1-CZ3 3.73Å; F46-W54 HydrophobicContact CE1-CH2 4.12Å; F46-W54 HydrophobicContact CE1-CZ2 4.48Å; F46-W54 HydrophobicContact CE1-CZ3 4.24Å; F46-W54 HydrophobicContact CG-CD2 4.22Å; F46-W54 HydrophobicContact CG-CE3 4.37Å; F46-W54 PolarHBondContact O-NE1 2.96Å; F46-L85 HydrophobicContact CD1-CD2 3.66Å; F46-L85 HydrophobicContact CD1-CG 4.42Å; F46-L85 HydrophobicContact CD2-CD2 3.78Å; F46-L85 HydrophobicContact CE1-CD2 3.6Å; F46-L85 HydrophobicContact CE2-CD2 3.74Å; F46-L85 HydrophobicContact CG-CD1 4.41Å; F46-L85 HydrophobicContact CG-CD2 3.76Å; F46-L85 HydrophobicContact CZ-CD2 3.66Å
47D98.6Very high98.5Very high34 Ų3453.1 Ų53.118%0.18228%0.276CS..Hα-helixtrans-56-41.3171-75.3-27.9000111.4K43 G51 P52 W54K43-D47 IonicContact NZ-OD1 3.98Å; K43-D47 IonicContact NZ-OD2 3.54Å; K43-D47 PolarHBondContact NZ-OD2 2.87Å; K43-D47 PolarHBondContact O-N 3.43Å; D47-G51 CarbonylContact O-C 2.86Å; D47-G51 WeakPolarHBondContact O-CA 3.31Å; D47-G51 PolarHBondContact O-N 3.31Å; D47-G51 VanDerWaalsContact O-N 3.16Å; D47-P52 WeakPolarHBondContact OD1-CA 3.44Å; D47-W54 WeakPolarHBondContact OD1-CB 3.45Å; D47-W54 PolarHBondContact OD1-N 3.27Å
48K98.5Very high98.5Very high180 Ų18051.2 Ų51.278%0.78327%0.266SS*.Hα-helixtrans-70.8-42.6-179.3-176.1-178.5175.9-174.50112.6K44 H45 F46K44-K48 WeakPolarHBondContact O-CB 3.3Å; K44-K48 PolarHBondContact O-N 3.31Å; K44-K48 VanDerWaalsContact O-N 3.1Å; H45-K48 PolarHBondContact O-N 3.29Å; F46-K48 PolarHBondContact O-N 3.02Å
49N98.1Very high98.5Very high85 Ų8551 Ų5146%0.45527%0.267SS..Hα-helixtrans-92.9-25.9-170.8-70.3-21.9000114H45 F46H45-N49 PolarHBondContact CD2-ND2 3.38Å; H45-N49 VanDerWaalsContact CD2-ND2 3.29Å; H45-N49 PolarHBondContact CE1-ND2 2.98Å; H45-N49 VanDerWaalsContact CE1-ND2 3.31Å; H45-N49 PolarHBondContact NE2-ND2 3.26Å; H45-N49 WeakPolarHBondContact O-CB 3.49Å; H45-N49 PolarHBondContact O-N 2.83Å; F46-N49 PolarHBondContact O-N 2.93Å
50Y98Very high98.4Very high78 Ų7856.9 Ų56.931%0.30629%0.29SS..Hα-helixtrans-125.98.9-175.4-55.4-70.9000113.3M17 C20 F46 W54 K87M17-Y50 HydrophobicContact CE-CD1 3.6Å; M17-Y50 HydrophobicContact CE-CE1 3.72Å; M17-Y50 HydrophobicContact CE-CG 4.17Å; M17-Y50 HydrophobicContact CG-CE1 4.37Å; M17-Y50 HydrophobicContact CG-CE2 4.33Å; C20-Y50 PolarHBondContact SG-OH 3.23Å; F46-Y50 HydrophobicContact CB-CD2 4.36Å; F46-Y50 AromaticContact CD1-CD2 3.42Å; F46-Y50 HydrophobicContact CD1-CD2 3.42Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.42Å; F46-Y50 AromaticContact CD1-CE2 3.8Å; F46-Y50 HydrophobicContact CD1-CE2 3.8Å; F46-Y50 HydrophobicContact CD1-CG 4.43Å; F46-Y50 AromaticContact CE1-CD2 3.69Å; F46-Y50 HydrophobicContact CE1-CD2 3.69Å; F46-Y50 AromaticContact CE1-CE2 3.59Å; F46-Y50 HydrophobicContact CE1-CE2 3.59Å; F46-Y50 HydrophobicContact CE2-CE2 4.39Å; F46-Y50 AromaticContact CG-CD2 3.92Å; F46-Y50 HydrophobicContact CG-CD2 3.92Å; F46-Y50 HydrophobicContact CG-CE2 4.29Å; F46-Y50 HydrophobicContact CZ-CD2 4.38Å; F46-Y50 AromaticContact CZ-CE2 3.89Å; F46-Y50 HydrophobicContact CZ-CE2 3.89Å; F46-Y50 WeakPolarHBondContact O-CA 3.49Å; F46-Y50 WeakPolarHBondContact O-CB 3.4Å; F46-Y50 PolarHBondContact O-N 2.93Å; Y50-W54 HydrophobicContact CG-CZ2 4.34Å; Y50-K87 PolarHBondContact O-NZ 3.29Å
51G98Very high98.2Very high26 Ų2662.8 Ų62.827%0.26832%0.316SS..  trans75.2146.8179.700000113.3D47 W54 K87D47-G51 CarbonylContact O-C 2.86Å; D47-G51 WeakPolarHBondContact O-CA 3.31Å; D47-G51 PolarHBondContact O-N 3.31Å; D47-G51 VanDerWaalsContact O-N 3.16Å; G51-W54 PolarHBondContact O-NE1 3.29Å; G51-K87 WeakPolarHBondContact O-CE 2.98Å; G51-K87 PolarHBondContact O-NZ 3.46Å
52P98.1Very high98.1Very high91 Ų9162.8 Ų62.859%0.59132%0.318SS*.SBendtrans-67.6161.317830.8-36.2000112.2D47 K87D47-P52 WeakPolarHBondContact OD1-CA 3.44Å; P52-K87 WeakPolarHBondContact O-CE 3.17Å; P52-K87 PolarHBondContact O-NZ 3.4Å
53T98.1Very high98Very high55 Ų5566.6 Ų66.634%0.33736%0.357SS..  cis-113.2110.25-54.50000111.9K87 S88T53-K87 WeakPolarHBondContact O-CA 3.06Å; T53-K87 WeakPolarHBondContact O-CG 3.47Å; T53-S88 PolarHBondContact O-N 3Å
54W98.8Very high97.9Very high0 Ų066.5 Ų66.50%036%0.363CS..EExtended strand (participates in β ladder)trans-84149.9172.2-68.282.6000111.5M13 M17 K43 F46 D47 Y50 G51 N72 L85 F86 K87M13-W54 HydrophobicContact CE-CH2 3.86Å; M13-W54 HydrophobicContact CE-CZ3 3.92Å; M17-W54 HydrophobicContact SD-CH2 3.82Å; M17-W54 HydrophobicContact SD-CZ2 4.26Å; K43-W54 WeakPolarHBondContact CE-O 3.47Å; K43-W54 HydrophobicContact CG-CB 4.32Å; K43-W54 WeakPolarHBondContact CG-O 3.45Å; K43-W54 PolarHBondContact NZ-O 3.43Å; F46-W54 VanDerWaalsContact C-CD1 3.43Å; F46-W54 HydrophobicContact CB-CB 4.16Å; F46-W54 HydrophobicContact CB-CD2 3.69Å; F46-W54 HydrophobicContact CB-CE3 4.23Å; F46-W54 HydrophobicContact CB-CG 3.62Å; F46-W54 AromaticContact CD1-CD2 3.86Å; F46-W54 HydrophobicContact CD1-CD2 3.86Å; F46-W54 AromaticContact CD1-CE2 3.81Å; F46-W54 AromaticContact CD1-CE3 3.81Å; F46-W54 HydrophobicContact CD1-CE3 3.81Å; F46-W54 AromaticContact CD1-CH2 3.7Å; F46-W54 HydrophobicContact CD1-CH2 3.7Å; F46-W54 AromaticContact CD1-CZ2 3.75Å; F46-W54 HydrophobicContact CD1-CZ2 3.75Å; F46-W54 AromaticContact CD1-CZ3 3.73Å; F46-W54 HydrophobicContact CD1-CZ3 3.73Å; F46-W54 HydrophobicContact CE1-CH2 4.12Å; F46-W54 HydrophobicContact CE1-CZ2 4.48Å; F46-W54 HydrophobicContact CE1-CZ3 4.24Å; F46-W54 HydrophobicContact CG-CD2 4.22Å; F46-W54 HydrophobicContact CG-CE3 4.37Å; F46-W54 PolarHBondContact O-NE1 2.96Å; D47-W54 WeakPolarHBondContact OD1-CB 3.45Å; D47-W54 PolarHBondContact OD1-N 3.27Å; Y50-W54 HydrophobicContact CG-CZ2 4.34Å; G51-W54 PolarHBondContact O-NE1 3.29Å; W54-N72 HydrophobicContact CH2-CB 3.8Å; W54-N72 HydrophobicContact CZ2-CB 4.28Å; W54-N72 WeakPolarHBondContact CZ2-OD1 3.46Å; W54-N72 HydrophobicContact CZ3-CB 4.31Å; W54-L85 HydrophobicContact CB-CD1 4.43Å; W54-L85 HydrophobicContact CE3-CD1 3.74Å; W54-L85 HydrophobicContact CE3-CD2 4.39Å; W54-L85 HydrophobicContact CE3-CG 3.74Å; W54-L85 HydrophobicContact CZ3-CD1 4.46Å; W54-L85 HydrophobicContact CZ3-CD2 4.4Å; W54-L85 HydrophobicContact CZ3-CG 3.96Å; W54-F86 CarbonylContact C-O 3.56Å; W54-F86 WeakPolarHBondContact CA-O 3.47Å; W54-K87 HydrophobicContact CD2-CB 4.06Å; W54-K87 HydrophobicContact CD2-CG 4.35Å; W54-K87 HydrophobicContact CE3-CB 4.15Å; W54-K87 HydrophobicContact CG-CG 4.49Å; W54-K87 HydrophobicContact CH2-CB 4.41Å; W54-K87 HydrophobicContact CZ2-CB 4.31Å; W54-K87 HydrophobicContact CZ2-CD 4.24Å; W54-K87 HydrophobicContact CZ3-CB 4.33Å
55H98.7Very high97.9Very high65 Ų6570.4 Ų70.430%0.30138%0.376SS..EExtended strand (participates in β ladder)trans-127139.4174.5-57.8-84.7000108.1L85 F86 S88H55-L85 WeakPolarHBondContact O-CA 3.46Å; H55-L85 WeakPolarHBondContact O-CD1 3.31Å; H55-F86 HydrophobicContact CB-CD1 4.08Å; H55-F86 HydrophobicContact CB-CD2 4.22Å; H55-F86 HydrophobicContact CB-CE1 3.63Å; H55-F86 HydrophobicContact CB-CE2 3.77Å; H55-F86 HydrophobicContact CB-CG 4.37Å; H55-F86 HydrophobicContact CB-CZ 3.46Å; H55-F86 VanDerWaalsContact CB-CZ 3.46Å; H55-F86 AromaticContact CD2-CE2 3.76Å; H55-F86 AromaticContact CG-CE2 3.91Å; H55-F86 AromaticContact CG-CZ 3.96Å; H55-F86 PolarHBondContact N-O 2.79Å; H55-F86 PolarHBondContact O-N 2.63Å; H55-S88 PolarHBondContact NE2-O 3.16Å
56C98.8Very high97.8Very high24 Ų2470.4 Ų70.416%0.16238%0.379CS..EExtended strand (participates in β ladder)trans-136.2133.8-179.5-170.70000110.4A39 K43 Q84 L85A39-C56 HydrophobicContact CB-CB 4.27Å; A39-C56 WeakPolarHBondContact O-CB 3.11Å; K43-C56 HydrophobicContact CB-CB 4.08Å; C56-Q84 CarbonylContact C-O 3.46Å; C56-Q84 VanDerWaalsContact CA-O 3.3Å; C56-Q84 WeakPolarHBondContact CA-O 3.33Å; C56-L85 HydrophobicContact CB-CD1 3.98Å
57V98.6Very high97.7Very high55 Ų5575.9 Ų75.933%0.33341%0.413SS..EExtended strand (participates in β ladder)trans-122130.3172.9-175.40000107.8F62 V83 Q84V57-F62 HydrophobicContact CB-CE2 4.35Å; V57-F62 HydrophobicContact CB-CZ 4.32Å; V57-F62 HydrophobicContact CG1-CD1 4.29Å; V57-F62 HydrophobicContact CG1-CD2 4.08Å; V57-F62 HydrophobicContact CG1-CE1 4.09Å; V57-F62 HydrophobicContact CG1-CE2 3.9Å; V57-F62 HydrophobicContact CG1-CG 4.27Å; V57-F62 HydrophobicContact CG1-CZ 3.9Å; V57-V83 WeakPolarHBondContact O-CA 3.35Å; V57-Q84 HydrophobicContact CB-CB 4.31Å; V57-Q84 PolarHBondContact N-O 3.06Å; V57-Q84 PolarHBondContact O-N 3.42Å
58V98.6Very high97.7Very high13 Ų1377.2 Ų77.28%0.07942%0.418CS..EExtended strand (participates in β ladder)trans-126.8131.8176.5178.70000107.5E35 I38 A39 I42 V81 A82 V83E35-V58 HydrophobicContact CB-CB 4.38Å; E35-V58 HydrophobicContact CB-CG1 4.24Å; E35-V58 HydrophobicContact CG-CG1 4.29Å; I38-V58 HydrophobicContact CB-CG1 4.44Å; I38-V58 HydrophobicContact CG2-CG1 4.16Å; I38-V58 HydrophobicContact CG2-CG2 4.04Å; A39-V58 HydrophobicContact CB-CB 4.2Å; A39-V58 HydrophobicContact CB-CG2 3.72Å; I42-V58 HydrophobicContact CD1-CG2 4.23Å; V58-V81 HydrophobicContact CG1-CG1 3.5Å; V58-A82 WeakPolarHBondContact CA-O 3.47Å; V58-V83 HydrophobicContact CG2-CG1 4.39Å; V58-V83 HydrophobicContact CG2-CG2 4.32Å
59G97.9Very high97.7Very high6 Ų671.7 Ų71.76%0.06240%0.395CS..EExtended strand (participates in β ladder)trans-176.3157.1-178.800000114.1E35 A82E35-G59 WeakPolarHBondContact OE1-CA 3.49Å; G59-A82 PolarHBondContact N-O 3.23Å; G59-A82 WeakPolarHBondContact O-CB 3.49Å; G59-A82 PolarHBondContact O-N 2.85Å
60K96.5Very high97.6Very high136 Ų13672.6 Ų72.659%0.59140%0.404SS*.SBendtrans-80.4-25.7173.8-66.4177.7-177.7172.80113.7E35 V81E35-K60 PolarHBondContact OE1-N 3.44Å; K60-V81 HydrophobicContact CG-CG2 4.23Å
61N94.9Very high97.6Very high159 Ų15973.7 Ų73.785%0.8542%0.415SS*.SBendtrans-151.5108.4-178.7-173.73.7000110.5
62F97.1Very high97.6Very high51 Ų5173.7 Ų73.722%0.22441%0.408CS..  trans-156153.9171.764.8-89.8000110.7V57 Y75 A82 Q84V57-F62 HydrophobicContact CB-CE2 4.35Å; V57-F62 HydrophobicContact CB-CZ 4.32Å; V57-F62 HydrophobicContact CG1-CD1 4.29Å; V57-F62 HydrophobicContact CG1-CD2 4.08Å; V57-F62 HydrophobicContact CG1-CE1 4.09Å; V57-F62 HydrophobicContact CG1-CE2 3.9Å; V57-F62 HydrophobicContact CG1-CG 4.27Å; V57-F62 HydrophobicContact CG1-CZ 3.9Å; F62-Y75 HydrophobicContact CE2-CE2 4.3Å; F62-Y75 AromaticContact CZ-CE2 4Å; F62-Y75 HydrophobicContact CZ-CE2 4Å; F62-A82 HydrophobicContact CE1-CB 3.62Å; F62-A82 HydrophobicContact CZ-CB 3.96Å; F62-Q84 HydrophobicContact CE2-CB 4.2Å; F62-Q84 HydrophobicContact CZ-CB 4.14Å
63G96.7Very high97.7Very high79 Ų7970 Ų7081%0.81438%0.383SS*.  trans-114.2148.5162.600000109.3
64S96.6Very high97.7Very high57 Ų5767.4 Ų67.440%0.39937%0.367SS..  trans-143.8144.2-176.861.60000110.4Q84S64-Q84 PolarHBondContact OG-NE2 2.8Å; S64-Q84 PolarHBondContact OG-OE1 2.89Å
65Y97.3Very high97.7Very high233 Ų23369.6 Ų69.691%0.91438%0.376SS*.  trans-129.6106.8168.7-165.8-82.8000107.6
66V97Very high97.7Very high51 Ų5166.5 Ų66.531%0.30936%0.361SS..  trans-131.7148-171.6-58.70000110.7F73 F86V66-F73 HydrophobicContact CG2-CE2 4.06Å; V66-F86 HydrophobicContact CB-CE1 4.32Å; V66-F86 HydrophobicContact CB-CE2 4.01Å; V66-F86 HydrophobicContact CB-CZ 3.91Å; V66-F86 HydrophobicContact CG1-CE1 4.05Å; V66-F86 HydrophobicContact CG1-CE2 4.34Å; V66-F86 HydrophobicContact CG1-CZ 3.73Å; V66-F86 HydrophobicContact CG2-CD1 4.21Å; V66-F86 HydrophobicContact CG2-CD2 4.32Å; V66-F86 HydrophobicContact CG2-CE1 4.15Å; V66-F86 HydrophobicContact CG2-CE2 4.27Å; V66-F86 HydrophobicContact CG2-CG 4.29Å; V66-F86 HydrophobicContact CG2-CZ 4.18Å
67T97.8Very high97.6Very high116 Ų11668.4 Ų68.471%0.71237%0.366SS*.  trans-98.6142.4167-55.30000108.3
68H97.9Very high97.5Very high62 Ų6265.9 Ų65.929%0.28735%0.35SS..  trans-138.3158.4-179.657.8-89.9000111.1D12 F73 F86 K87D12-H68 IonicContact OD2-NE2 2.63Å; H68-F73 HydrophobicContact CB-CB 4.27Å; H68-F73 HydrophobicContact CB-CD2 4.33Å; H68-F73 WeakPolarHBondContact CD2-CB 3.47Å; H68-F73 AromaticContact CE1-CD2 3.78Å; H68-F73 AromaticContact CE1-CG 3.67Å; H68-F73 AromaticContact CG-CD2 3.84Å; H68-F73 AromaticContact CG-CG 4Å; H68-F73 AromaticContact ND1-CD2 3.45Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.29Å; H68-F73 AromaticContact ND1-CG 3.77Å; H68-F73 WeakPolarHBondContact NE2-CB 3.48Å; H68-F73 AromaticContact NE2-CG 3.85Å; H68-F86 HydrophobicContact CB-CB 3.97Å; H68-F86 HydrophobicContact CB-CD2 4.14Å; H68-F86 HydrophobicContact CB-CG 4.48Å; H68-K87 CarbonylContact C-O 3.38Å; H68-K87 VanDerWaalsContact CA-O 3.25Å; H68-K87 WeakPolarHBondContact CA-O 3.4Å; H68-K87 WeakPolarHBondContact CB-O 3.42Å
69E97.9Very high97Very high64 Ų6471.1 Ų71.130%0.29937%0.374SS..  trans-67.8140.7169.2-67.5165.5-135.200110.5N72 K87 S88 G89E69-N72 PolarHBondContact O-N 2.94Å; E69-K87 PolarHBondContact N-O 2.77Å; E69-K87 WeakPolarHBondContact OE2-CD 3.46Å; E69-K87 WeakPolarHBondContact OE2-CE 3.46Å; E69-K87 IonicContact OE2-NZ 3.8Å; E69-S88 WeakPolarHBondContact OE1-CA 3.49Å; E69-G89 PolarHBondContact OE1-N 2.93Å
70T97.5Very high96.7Very high104 Ų10475.5 Ų75.564%0.63840%0.396SS*.THydrogen-bonded Turntrans-53.6142.5178.7-48.10000111.7N72T70-N72 PolarHBondContact O-N 3.43Å; T70-N72 PolarHBondContact O-ND2 2.76Å
71N97.7Very high96.7Very high100 Ų10070 Ų7054%0.53537%0.373SS..THydrogen-bonded Turntrans63.218-179.2-54.5-61.3000114.9D12 M13D12-N71 CarbonylContact O-C 3.56Å; D12-N71 WeakPolarHBondContact O-CA 3.25Å; D12-N71 PolarHBondContact OD2-N 2.98Å; M13-N71 VanDerWaalsContact CB-O 3.31Å; M13-N71 WeakPolarHBondContact CB-O 3.3Å
72N98.4Very high96.9Very high26 Ų2662.4 Ų62.414%0.13933%0.333CS..  trans-133.644-179.1-63.1-87.9000113.1D12 W54 E69 T70 F86 K87D12-N72 PolarHBondContact O-N 3.04Å; W54-N72 HydrophobicContact CH2-CB 3.8Å; W54-N72 HydrophobicContact CZ2-CB 4.28Å; W54-N72 WeakPolarHBondContact CZ2-OD1 3.46Å; W54-N72 HydrophobicContact CZ3-CB 4.31Å; E69-N72 PolarHBondContact O-N 2.94Å; T70-N72 PolarHBondContact O-N 3.43Å; T70-N72 PolarHBondContact O-ND2 2.76Å; N72-F86 CarbonylContact O-C 3.59Å; N72-F86 WeakPolarHBondContact O-CA 3.21Å; N72-K87 HydrophobicContact CB-CB 3.44Å; N72-K87 VanDerWaalsContact CB-CB 3.44Å; N72-K87 HydrophobicContact CB-CD 4.27Å; N72-K87 PolarHBondContact O-N 3.46Å
73F98.7Very high97Very high14 Ų1460 Ų606%0.06132%0.323CS..EExtended strand (participates in β ladder)trans-136.9138.5176.1174.8-82.5000113.3N10 A11 D12 V66 H68 Q84 F86N10-F73 HydrophobicContact CB-CE1 4.14Å; A11-F73 CarbonylContact C-O 3.56Å; A11-F73 WeakPolarHBondContact CA-O 3.2Å; D12-F73 CarbonylContact C-O 3.54Å; D12-F73 HydrophobicContact CB-CB 4.35Å; D12-F73 PolarHBondContact N-O 2.82Å; D12-F73 PolarHBondContact O-N 2.99Å; V66-F73 HydrophobicContact CG2-CE2 4.06Å; H68-F73 HydrophobicContact CB-CB 4.27Å; H68-F73 HydrophobicContact CB-CD2 4.33Å; H68-F73 WeakPolarHBondContact CD2-CB 3.47Å; H68-F73 AromaticContact CE1-CD2 3.78Å; H68-F73 AromaticContact CE1-CG 3.67Å; H68-F73 AromaticContact CG-CD2 3.84Å; H68-F73 AromaticContact CG-CG 4Å; H68-F73 AromaticContact ND1-CD2 3.45Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.29Å; H68-F73 AromaticContact ND1-CG 3.77Å; H68-F73 WeakPolarHBondContact NE2-CB 3.48Å; H68-F73 AromaticContact NE2-CG 3.85Å; F73-Q84 HydrophobicContact CE2-CG 4.17Å; F73-F86 HydrophobicContact CB-CB 4.35Å; F73-F86 HydrophobicContact CD2-CB 3.59Å; F73-F86 HydrophobicContact CD2-CG 4.42Å; F73-F86 HydrophobicContact CE2-CB 4.36Å; F73-F86 HydrophobicContact CG-CB 4.39Å
74I98.8Very high97.1Very high0 Ų056.6 Ų56.60%029%0.285CS..EExtended strand (participates in β ladder)trans-147.2142.4168.8-166.5-178.7000111.5V8 A11 M13 Q18 A21 F76 L85V8-I74 HydrophobicContact CG1-CG1 4.36Å; A11-I74 HydrophobicContact CB-CG1 4.04Å; M13-I74 HydrophobicContact CE-CB 4.14Å; M13-I74 HydrophobicContact CE-CG2 4.04Å; M13-I74 HydrophobicContact CG-CB 4.41Å; M13-I74 HydrophobicContact SD-CB 3.75Å; M13-I74 HydrophobicContact SD-CD1 4.39Å; M13-I74 HydrophobicContact SD-CG2 3.91Å; Q18-I74 HydrophobicContact CB-CD1 3.76Å; Q18-I74 HydrophobicContact CG-CD1 3.81Å; A21-I74 HydrophobicContact CB-CD1 4.3Å; A21-I74 HydrophobicContact CB-CG2 4.03Å; I74-F76 HydrophobicContact CD1-CD1 3.72Å; I74-F76 HydrophobicContact CD1-CE1 4.16Å; I74-F76 HydrophobicContact CD1-CG 4.5Å; I74-F76 HydrophobicContact CG1-CD1 3.87Å; I74-F76 HydrophobicContact CG2-CD1 4.23Å; I74-F76 HydrophobicContact CG2-CE1 4.16Å; I74-L85 HydrophobicContact CG2-CB 3.85Å; I74-L85 HydrophobicContact CG2-CD2 4.31Å; I74-L85 HydrophobicContact CG2-CG 4.47Å; I74-L85 PolarHBondContact N-O 2.93Å; I74-L85 PolarHBondContact O-N 2.98Å
75Y98.7Very high97.2Very high46 Ų4653.9 Ų53.918%0.1827%0.266CS..EExtended strand (participates in β ladder)trans-133118.6171.2176.7-120.7000110K9 N10 F62 Y77 A82 V83 Q84K9-Y75 HydrophobicContact CB-CD1 3.52Å; K9-Y75 HydrophobicContact CB-CE1 3.82Å; K9-Y75 HydrophobicContact CB-CG 4.5Å; K9-Y75 HydrophobicContact CG-CD1 4.23Å; K9-Y75 HydrophobicContact CG-CE1 4.08Å; K9-Y75 PolarHBondContact N-O 2.84Å; N10-Y75 PolarHBondContact N-O 3.47Å; N10-Y75 VanDerWaalsContact N-O 3.12Å; N10-Y75 PolarHBondContact O-N 2.86Å; F62-Y75 HydrophobicContact CE2-CE2 4.3Å; F62-Y75 AromaticContact CZ-CE2 4Å; F62-Y75 HydrophobicContact CZ-CE2 4Å; Y75-Y77 HydrophobicContact CE1-CE2 4.11Å; Y75-Y77 AromaticContact CZ-CE2 3.75Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.3Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.47Å; Y75-Y77 PolarHBondContact OH-OH 3Å; Y75-Y77 VanDerWaalsContact OH-OH 3.06Å; Y75-A82 HydrophobicContact CE2-CB 3.86Å; Y75-V83 WeakPolarHBondContact CA-O 3.35Å; Y75-Q84 HydrophobicContact CD2-CB 3.93Å
76F98.3Very high97.2Very high0 Ų043.7 Ų43.70%023%0.227CC..EExtended strand (participates in β ladder)trans-146.2162.8-176.366.1-83.5000112.1A6 V7 V8 A21 V22 A25 I74 L78 A82 V83A6-F76 HydrophobicContact CB-CD2 4.2Å; V7-F76 CarbonylContact O-C 3.51Å; V7-F76 VanDerWaalsContact O-CA 3.3Å; V7-F76 WeakPolarHBondContact O-CA 3.29Å; V8-F76 HydrophobicContact CB-CB 4.39Å; V8-F76 HydrophobicContact CG2-CB 4.12Å; A21-F76 HydrophobicContact CB-CE1 4.18Å; V22-F76 HydrophobicContact CB-CE2 4.46Å; V22-F76 HydrophobicContact CG2-CD2 3.98Å; V22-F76 HydrophobicContact CG2-CE2 3.88Å; V22-F76 HydrophobicContact CG2-CG 4.36Å; V22-F76 HydrophobicContact CG2-CZ 4.17Å; A25-F76 HydrophobicContact CB-CE2 4.01Å; A25-F76 HydrophobicContact CB-CZ 3.69Å; I74-F76 HydrophobicContact CD1-CD1 3.72Å; I74-F76 HydrophobicContact CD1-CE1 4.16Å; I74-F76 HydrophobicContact CD1-CG 4.5Å; I74-F76 HydrophobicContact CG1-CD1 3.87Å; I74-F76 HydrophobicContact CG2-CD1 4.23Å; I74-F76 HydrophobicContact CG2-CE1 4.16Å; F76-L78 HydrophobicContact CD2-CG 4.18Å; F76-L78 HydrophobicContact CE2-CD1 3.8Å; F76-L78 HydrophobicContact CE2-CG 3.85Å; F76-A82 WeakPolarHBondContact O-CA 3.25Å; F76-V83 HydrophobicContact CD1-CB 4.23Å; F76-V83 HydrophobicContact CD2-CB 4.43Å; F76-V83 HydrophobicContact CE1-CB 3.81Å; F76-V83 HydrophobicContact CE1-CG1 3.75Å; F76-V83 HydrophobicContact CE2-CB 4Å; F76-V83 HydrophobicContact CE2-CG2 4.11Å; F76-V83 HydrophobicContact CZ-CB 3.69Å; F76-V83 HydrophobicContact CZ-CG1 3.74Å; F76-V83 HydrophobicContact CZ-CG2 4.12Å; F76-V83 PolarHBondContact N-O 3.35Å; F76-V83 PolarHBondContact O-N 2.83Å
77Y97.6Very high97.3Very high65 Ų6542.6 Ų42.626%0.25522%0.218SC..EExtended strand (participates in β ladder)trans-108.2135171.9-79.4-100.6000110.5A6 V7 K9 Y75 V81 A82A6-Y77 CarbonylContact C-O 3.56Å; A6-Y77 VanDerWaalsContact CA-O 3.29Å; A6-Y77 WeakPolarHBondContact CA-O 3.45Å; V7-Y77 PolarHBondContact N-O 2.84Å; V7-Y77 PolarHBondContact O-N 3.33Å; K9-Y77 HydrophobicContact CG-CD2 3.8Å; K9-Y77 HydrophobicContact CG-CE2 4.04Å; Y75-Y77 HydrophobicContact CE1-CE2 4.11Å; Y75-Y77 AromaticContact CZ-CE2 3.75Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.3Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.47Å; Y75-Y77 PolarHBondContact OH-OH 3Å; Y75-Y77 VanDerWaalsContact OH-OH 3.06Å; Y77-V81 WeakPolarHBondContact CA-O 3.38Å; Y77-A82 HydrophobicContact CD1-CB 4.01Å; Y77-A82 HydrophobicContact CD2-CB 4.44Å; Y77-A82 HydrophobicContact CE1-CB 3.62Å; Y77-A82 HydrophobicContact CE2-CB 4.08Å; Y77-A82 HydrophobicContact CG-CB 4.41Å
78L95.6Very high97.3Very high1 Ų139.4 Ų39.41%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-108.4109.1159.8-82.7168000107.4K4 A6 V22 A25 A26 M29 F76 N80 V81K4-L78 HydrophobicContact CB-CD2 4.09Å; K4-L78 WeakPolarHBondContact O-CD2 3.4Å; A6-L78 HydrophobicContact CB-CD2 3.93Å; A6-L78 HydrophobicContact CB-CG 4.47Å; V22-L78 HydrophobicContact CG1-CD2 4.49Å; A25-L78 HydrophobicContact CB-CD1 3.66Å; A26-L78 HydrophobicContact CB-CD1 4.3Å; M29-L78 HydrophobicContact CE-CB 3.99Å; M29-L78 HydrophobicContact CE-CD1 4.03Å; M29-L78 HydrophobicContact SD-CB 3.81Å; M29-L78 HydrophobicContact SD-CD1 3.88Å; F76-L78 HydrophobicContact CD2-CG 4.18Å; F76-L78 HydrophobicContact CE2-CD1 3.8Å; F76-L78 HydrophobicContact CE2-CG 3.85Å; L78-N80 PolarHBondContact O-N 3.1Å; L78-N80 VanDerWaalsContact O-N 3.12Å; L78-V81 PolarHBondContact N-O 3.31Å; L78-V81 PolarHBondContact O-N 3.31Å
79Q89.3Confident97Very high123 Ų12342 Ų4258%0.57524%0.243SC*.THydrogen-bonded Turntrans56.1-111.5-169.8-58.6175.5-39.400111.3K4K4-Q79 HydrophobicContact CD-CG 4.44Å; K4-Q79 HydrophobicContact CG-CG 4.34Å
80N91.9Very high97Very high98 Ų9840.9 Ų40.952%0.52424%0.241SC..THydrogen-bonded Turntrans-108.510.5-179.964.7-15.2000113.3L78L78-N80 PolarHBondContact O-N 3.1Å; L78-N80 VanDerWaalsContact O-N 3.12Å
81V96.4Very high97Very high20 Ų2037.5 Ų37.512%0.12122%0.22CC..EExtended strand (participates in β ladder)trans-108124.3177.5-177.90000108.8M29 V58 K60 Y77 L78M29-V81 HydrophobicContact CE-CB 3.87Å; M29-V81 HydrophobicContact CE-CG1 3.61Å; V58-V81 HydrophobicContact CG1-CG1 3.5Å; K60-V81 HydrophobicContact CG-CG2 4.23Å; Y77-V81 WeakPolarHBondContact CA-O 3.38Å; L78-V81 PolarHBondContact N-O 3.31Å; L78-V81 PolarHBondContact O-N 3.31Å
82A98Very high96.9Very high1 Ų134.1 Ų34.11%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-85.4140.4173.500000110.3V58 G59 F62 Y75 F76 Y77V58-A82 WeakPolarHBondContact CA-O 3.47Å; G59-A82 PolarHBondContact N-O 3.23Å; G59-A82 WeakPolarHBondContact O-CB 3.49Å; G59-A82 PolarHBondContact O-N 2.85Å; F62-A82 HydrophobicContact CE1-CB 3.62Å; F62-A82 HydrophobicContact CZ-CB 3.96Å; Y75-A82 HydrophobicContact CE2-CB 3.86Å; F76-A82 WeakPolarHBondContact O-CA 3.25Å; Y77-A82 HydrophobicContact CD1-CB 4.01Å; Y77-A82 HydrophobicContact CD2-CB 4.44Å; Y77-A82 HydrophobicContact CE1-CB 3.62Å; Y77-A82 HydrophobicContact CE2-CB 4.08Å; Y77-A82 HydrophobicContact CG-CB 4.41Å
83V98.6Very high96.9Very high0 Ų034.5 Ų34.50%021%0.206CC..EExtended strand (participates in β ladder)trans-123.8121173.6-177.40000107.4A25 M29 I42 V57 V58 Y75 F76A25-V83 HydrophobicContact CB-CG2 4.29Å; M29-V83 HydrophobicContact CE-CG2 3.59Å; I42-V83 HydrophobicContact CD1-CG1 4.05Å; V57-V83 WeakPolarHBondContact O-CA 3.35Å; V58-V83 HydrophobicContact CG2-CG1 4.39Å; V58-V83 HydrophobicContact CG2-CG2 4.32Å; Y75-V83 WeakPolarHBondContact CA-O 3.35Å; F76-V83 HydrophobicContact CD1-CB 4.23Å; F76-V83 HydrophobicContact CD2-CB 4.43Å; F76-V83 HydrophobicContact CE1-CB 3.81Å; F76-V83 HydrophobicContact CE1-CG1 3.75Å; F76-V83 HydrophobicContact CE2-CB 4Å; F76-V83 HydrophobicContact CE2-CG2 4.11Å; F76-V83 HydrophobicContact CZ-CB 3.69Å; F76-V83 HydrophobicContact CZ-CG1 3.74Å; F76-V83 HydrophobicContact CZ-CG2 4.12Å; F76-V83 PolarHBondContact N-O 3.35Å; F76-V83 PolarHBondContact O-N 2.83Å
84Q98.7Very high96.7Very high7 Ų735.8 Ų35.83%0.03322%0.215CC..EExtended strand (participates in β ladder)trans-111.6126.1168178.9175.277.500108.1C56 V57 F62 S64 F73 Y75 F86C56-Q84 CarbonylContact C-O 3.46Å; C56-Q84 VanDerWaalsContact CA-O 3.3Å; C56-Q84 WeakPolarHBondContact CA-O 3.33Å; V57-Q84 HydrophobicContact CB-CB 4.31Å; V57-Q84 PolarHBondContact N-O 3.06Å; V57-Q84 PolarHBondContact O-N 3.42Å; F62-Q84 HydrophobicContact CE2-CB 4.2Å; F62-Q84 HydrophobicContact CZ-CB 4.14Å; S64-Q84 PolarHBondContact OG-NE2 2.8Å; S64-Q84 PolarHBondContact OG-OE1 2.89Å; F73-Q84 HydrophobicContact CE2-CG 4.17Å; Y75-Q84 HydrophobicContact CD2-CB 3.93Å; Q84-F86 HydrophobicContact CG-CD1 4Å; Q84-F86 HydrophobicContact CG-CE1 4.44Å
85L98.9Very high96.6Very high0 Ų038.2 Ų38.20%023%0.229CC..EExtended strand (participates in β ladder)trans-133.8125.2-179.2175.666.8000108.4A21 I42 F46 W54 H55 C56 I74A21-L85 HydrophobicContact CB-CD2 3.96Å; I42-L85 HydrophobicContact CG2-CD1 3.98Å; I42-L85 HydrophobicContact CG2-CD2 3.81Å; I42-L85 HydrophobicContact CG2-CG 4.42Å; F46-L85 HydrophobicContact CD1-CD2 3.66Å; F46-L85 HydrophobicContact CD1-CG 4.42Å; F46-L85 HydrophobicContact CD2-CD2 3.78Å; F46-L85 HydrophobicContact CE1-CD2 3.6Å; F46-L85 HydrophobicContact CE2-CD2 3.74Å; F46-L85 HydrophobicContact CG-CD1 4.41Å; F46-L85 HydrophobicContact CG-CD2 3.76Å; F46-L85 HydrophobicContact CZ-CD2 3.66Å; W54-L85 HydrophobicContact CB-CD1 4.43Å; W54-L85 HydrophobicContact CE3-CD1 3.74Å; W54-L85 HydrophobicContact CE3-CD2 4.39Å; W54-L85 HydrophobicContact CE3-CG 3.74Å; W54-L85 HydrophobicContact CZ3-CD1 4.46Å; W54-L85 HydrophobicContact CZ3-CD2 4.4Å; W54-L85 HydrophobicContact CZ3-CG 3.96Å; H55-L85 WeakPolarHBondContact O-CA 3.46Å; H55-L85 WeakPolarHBondContact O-CD1 3.31Å; C56-L85 HydrophobicContact CB-CD1 3.98Å; I74-L85 HydrophobicContact CG2-CB 3.85Å; I74-L85 HydrophobicContact CG2-CD2 4.31Å; I74-L85 HydrophobicContact CG2-CG 4.47Å; I74-L85 PolarHBondContact N-O 2.93Å; I74-L85 PolarHBondContact O-N 2.98Å
86F98.8Very high96.5Very high19 Ų1937.6 Ų37.68%0.08323%0.233CC..EExtended strand (participates in β ladder)trans-152.5153.4-176.866.9-82.6000112.5W54 H55 V66 H68 N72 F73 Q84W54-F86 CarbonylContact C-O 3.56Å; W54-F86 WeakPolarHBondContact CA-O 3.47Å; H55-F86 HydrophobicContact CB-CD1 4.08Å; H55-F86 HydrophobicContact CB-CD2 4.22Å; H55-F86 HydrophobicContact CB-CE1 3.63Å; H55-F86 HydrophobicContact CB-CE2 3.77Å; H55-F86 HydrophobicContact CB-CG 4.37Å; H55-F86 HydrophobicContact CB-CZ 3.46Å; H55-F86 VanDerWaalsContact CB-CZ 3.46Å; H55-F86 AromaticContact CD2-CE2 3.76Å; H55-F86 AromaticContact CG-CE2 3.91Å; H55-F86 AromaticContact CG-CZ 3.96Å; H55-F86 PolarHBondContact N-O 2.79Å; H55-F86 PolarHBondContact O-N 2.63Å; V66-F86 HydrophobicContact CB-CE1 4.32Å; V66-F86 HydrophobicContact CB-CE2 4.01Å; V66-F86 HydrophobicContact CB-CZ 3.91Å; V66-F86 HydrophobicContact CG1-CE1 4.05Å; V66-F86 HydrophobicContact CG1-CE2 4.34Å; V66-F86 HydrophobicContact CG1-CZ 3.73Å; V66-F86 HydrophobicContact CG2-CD1 4.21Å; V66-F86 HydrophobicContact CG2-CD2 4.32Å; V66-F86 HydrophobicContact CG2-CE1 4.15Å; V66-F86 HydrophobicContact CG2-CE2 4.27Å; V66-F86 HydrophobicContact CG2-CG 4.29Å; V66-F86 HydrophobicContact CG2-CZ 4.18Å; H68-F86 HydrophobicContact CB-CB 3.97Å; H68-F86 HydrophobicContact CB-CD2 4.14Å; H68-F86 HydrophobicContact CB-CG 4.48Å; N72-F86 CarbonylContact O-C 3.59Å; N72-F86 WeakPolarHBondContact O-CA 3.21Å; F73-F86 HydrophobicContact CB-CB 4.35Å; F73-F86 HydrophobicContact CD2-CB 3.59Å; F73-F86 HydrophobicContact CD2-CG 4.42Å; F73-F86 HydrophobicContact CE2-CB 4.36Å; F73-F86 HydrophobicContact CG-CB 4.39Å; Q84-F86 HydrophobicContact CG-CD1 4Å; Q84-F86 HydrophobicContact CG-CE1 4.44Å
87K98.7Very high96.3Very high29 Ų2940.5 Ų40.513%0.12625%0.251CS..EExtended strand (participates in β ladder)trans-101.7135175.6-161.4-179.9173.3171.80111.1Y50 G51 P52 T53 W54 H68 E69 N72Y50-K87 PolarHBondContact O-NZ 3.29Å; G51-K87 WeakPolarHBondContact O-CE 2.98Å; G51-K87 PolarHBondContact O-NZ 3.46Å; P52-K87 WeakPolarHBondContact O-CE 3.17Å; P52-K87 PolarHBondContact O-NZ 3.4Å; T53-K87 WeakPolarHBondContact O-CA 3.06Å; T53-K87 WeakPolarHBondContact O-CG 3.47Å; W54-K87 HydrophobicContact CD2-CB 4.06Å; W54-K87 HydrophobicContact CD2-CG 4.35Å; W54-K87 HydrophobicContact CE3-CB 4.15Å; W54-K87 HydrophobicContact CG-CG 4.49Å; W54-K87 HydrophobicContact CH2-CB 4.41Å; W54-K87 HydrophobicContact CZ2-CB 4.31Å; W54-K87 HydrophobicContact CZ2-CD 4.24Å; W54-K87 HydrophobicContact CZ3-CB 4.33Å; H68-K87 CarbonylContact C-O 3.38Å; H68-K87 VanDerWaalsContact CA-O 3.25Å; H68-K87 WeakPolarHBondContact CA-O 3.4Å; H68-K87 WeakPolarHBondContact CB-O 3.42Å; E69-K87 PolarHBondContact N-O 2.77Å; E69-K87 WeakPolarHBondContact OE2-CD 3.46Å; E69-K87 WeakPolarHBondContact OE2-CE 3.46Å; E69-K87 IonicContact OE2-NZ 3.8Å; N72-K87 HydrophobicContact CB-CB 3.44Å; N72-K87 VanDerWaalsContact CB-CB 3.44Å; N72-K87 HydrophobicContact CB-CD 4.27Å; N72-K87 PolarHBondContact O-N 3.46Å
88S97.5Very high96.2Very high49 Ų4938.5 Ų38.534%0.34325%0.25SS..  trans-159.3114.4174.5178.70000109T53 H55 E69T53-S88 PolarHBondContact O-N 3Å; H55-S88 PolarHBondContact NE2-O 3.16Å; E69-S88 WeakPolarHBondContact OE1-CA 3.49Å
89G92.2Very high96.3Very high115 Ų11541.9 Ų41.9100%1.18627%0.273SS*.  trans-1710174.400000113.7E69E69-G89 PolarHBondContact OE1-N 2.93Å

Retrieved 89 of 89 residues in 87.7 ms (Link to these results)

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