A0A096N6Q0_PAPAN Loading...

ADP-ribosylation factor-like protein 2

AlphaFold DB (A0A2K6NI28), UniProt , Accession A0A096N6Q0, Species PAPAN (Papio anubis, Olive baboon), Gene ARL2, Length 184 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
1M55.9Low71.9Confident192 Ų19299.8 Ų99.895%0.94652%0.517SS*.  0119.80-83.6-164.7-80.700107.8
2G84.6Confident71.6Confident40 Ų4097 Ų9741%0.41250%0.499SS..  trans-82.2161.7-176.700000112.9L4 T5 I6G2-L4 VanDerWaalsContact C-N 3.27Å; G2-L4 PolarHBondContact O-N 3.06Å; G2-T5 WeakPolarHBondContact O-CB 3.44Å; G2-T5 PolarHBondContact O-N 3.36Å; G2-T5 VanDerWaalsContact O-N 3.07Å; G2-T5 PolarHBondContact O-OG1 3.41Å; G2-I6 PolarHBondContact O-N 2.62Å
3L81Confident71.5Confident129 Ų129104 Ų10468%0.67552%0.524SS*.Hα-helixtrans-53.7-41.8177.5178.362.4000112.4T5 I6 L7L3-T5 VanDerWaalsContact C-N 3.3Å; L3-T5 PolarHBondContact O-N 3.47Å; L3-I6 PolarHBondContact O-N 3.44Å; L3-I6 VanDerWaalsContact O-N 3.14Å; L3-L7 HydrophobicContact CD1-CD1 4.41Å; L3-L7 HydrophobicContact CD1-CG 4.34Å; L3-L7 HydrophobicContact CG-CD1 4.1Å; L3-L7 HydrophobicContact CG-CG 4.45Å; L3-L7 WeakPolarHBondContact O-CG 3.33Å; L3-L7 PolarHBondContact O-N 2.89Å
4L71.7Confident71.8Confident146 Ų146103.8 Ų103.876%0.76452%0.52SS*.Hα-helixtrans-58.8-39.8177-72.3163.9000112.7G2 I6 L7 K8G2-L4 VanDerWaalsContact C-N 3.27Å; G2-L4 PolarHBondContact O-N 3.06Å; L4-I6 VanDerWaalsContact C-N 3.32Å; L4-I6 PolarHBondContact O-N 3.45Å; L4-L7 PolarHBondContact O-N 3.11Å; L4-K8 WeakPolarHBondContact O-CB 3.35Å; L4-K8 PolarHBondContact O-N 2.68Å
5T71.6Confident72.8Confident63 Ų63103.3 Ų103.339%0.38751%0.51SS..Hα-helixtrans-68.2-34.9178.6-35.40000111.5G2 L3 K9G2-T5 WeakPolarHBondContact O-CB 3.44Å; G2-T5 PolarHBondContact O-N 3.36Å; G2-T5 VanDerWaalsContact O-N 3.07Å; G2-T5 PolarHBondContact O-OG1 3.41Å; L3-T5 VanDerWaalsContact C-N 3.3Å; L3-T5 PolarHBondContact O-N 3.47Å; T5-K9 WeakPolarHBondContact O-CB 3.45Å; T5-K9 WeakPolarHBondContact O-CG 3.31Å; T5-K9 PolarHBondContact O-N 2.82Å
6I77.2Confident74.1Confident82 Ų82101 Ų10142%0.42150%0.497SS..Hα-helixtrans-69.6-48.9176.5-64.5169.8000110G2 L3 L4 K8 K9 M10G2-I6 PolarHBondContact O-N 2.62Å; L3-I6 PolarHBondContact O-N 3.44Å; L3-I6 VanDerWaalsContact O-N 3.14Å; L4-I6 VanDerWaalsContact C-N 3.32Å; L4-I6 PolarHBondContact O-N 3.45Å; I6-K8 VanDerWaalsContact C-N 3.3Å; I6-K8 PolarHBondContact O-N 2.89Å; I6-K9 PolarHBondContact O-N 2.92Å; I6-M10 HydrophobicContact CG2-CG 4.46Å; I6-M10 HydrophobicContact CG2-SD 4.1Å; I6-M10 WeakPolarHBondContact O-CG 3.27Å; I6-M10 PolarHBondContact O-N 3.49Å
7L71.3Confident75.3Confident97 Ų9795.1 Ų95.151%0.50847%0.468SS..Hα-helixtrans-58.7-42.4177.1-69.3173.8000111.6L3 L4 M10 K11L3-L7 HydrophobicContact CD1-CD1 4.41Å; L3-L7 HydrophobicContact CD1-CG 4.34Å; L3-L7 HydrophobicContact CG-CD1 4.1Å; L3-L7 HydrophobicContact CG-CG 4.45Å; L3-L7 WeakPolarHBondContact O-CG 3.33Å; L3-L7 PolarHBondContact O-N 2.89Å; L4-L7 PolarHBondContact O-N 3.11Å; L7-M10 PolarHBondContact O-N 3.49Å; L7-K11 PolarHBondContact O-N 3.47Å
8K68.3Low76.5Confident73 Ų7391.8 Ų91.832%0.31745%0.45SS..Hα-helixtrans-58.6-54.2174.2-170.2175.4-176.7178.20110.7L4 I6 M10 K11 Q12 I180 A183L4-K8 WeakPolarHBondContact O-CB 3.35Å; L4-K8 PolarHBondContact O-N 2.68Å; I6-K8 VanDerWaalsContact C-N 3.3Å; I6-K8 PolarHBondContact O-N 2.89Å; K8-M10 VanDerWaalsContact C-N 3.31Å; K8-M10 PolarHBondContact O-N 3.11Å; K8-K11 WeakPolarHBondContact O-CB 3.14Å; K8-K11 PolarHBondContact O-N 3.33Å; K8-K11 VanDerWaalsContact O-N 3.11Å; K8-Q12 HydrophobicContact CG-CG 4.47Å; K8-Q12 WeakPolarHBondContact O-CG 2.98Å; K8-Q12 PolarHBondContact O-N 3.06Å; K8-I180 WeakPolarHBondContact CE-O 3.38Å; K8-A183 PolarHBondContact NZ-O 3.12Å
9K69.3Low77.7Confident119 Ų11987 Ų8752%0.51743%0.426SS..Hα-helixtrans-58.9-37.6179.5-76.6-178.5178.4-173.80113.4T5 I6 Q12 K13T5-K9 WeakPolarHBondContact O-CB 3.45Å; T5-K9 WeakPolarHBondContact O-CG 3.31Å; T5-K9 PolarHBondContact O-N 2.82Å; I6-K9 PolarHBondContact O-N 2.92Å; K9-Q12 PolarHBondContact O-N 3.07Å; K9-K13 WeakPolarHBondContact O-CB 3.19Å; K9-K13 PolarHBondContact O-N 2.86Å
10M70.6Confident78.8Confident94 Ų9482.7 Ų82.746%0.46341%0.405SS..Hα-helixtrans-63.4-48.1174.1-72.4-18067.700111I6 L7 K8 Q12 K13 E14I6-M10 HydrophobicContact CG2-CG 4.46Å; I6-M10 HydrophobicContact CG2-SD 4.1Å; I6-M10 WeakPolarHBondContact O-CG 3.27Å; I6-M10 PolarHBondContact O-N 3.49Å; L7-M10 PolarHBondContact O-N 3.49Å; K8-M10 VanDerWaalsContact C-N 3.31Å; K8-M10 PolarHBondContact O-N 3.11Å; M10-Q12 VanDerWaalsContact C-N 3.31Å; M10-Q12 PolarHBondContact O-N 3.07Å; M10-K13 WeakPolarHBondContact O-CB 3.5Å; M10-K13 PolarHBondContact O-N 3.09Å; M10-E14 WeakPolarHBondContact O-CG 3.43Å; M10-E14 PolarHBondContact O-N 3.07Å
11K69.3Low79.7Confident63 Ų6378.7 Ų78.727%0.27439%0.386SS..Hα-helixtrans-60.9-38.1176-164.7170.4-170.3168.80112.8L7 K8 K13 E14 R15 D85L7-K11 PolarHBondContact O-N 3.47Å; K8-K11 WeakPolarHBondContact O-CB 3.14Å; K8-K11 PolarHBondContact O-N 3.33Å; K8-K11 VanDerWaalsContact O-N 3.11Å; K11-K13 VanDerWaalsContact C-N 3.32Å; K11-K13 PolarHBondContact O-N 3.36Å; K11-E14 PolarHBondContact O-N 3.43Å; K11-R15 PolarHBondContact O-N 3.48Å; K11-R15 VanDerWaalsContact O-N 3.09Å; K11-D85 WeakPolarHBondContact CE-OD2 3.26Å; K11-D85 IonicContact NZ-OD1 3.06Å; K11-D85 PolarHBondContact NZ-OD1 2.85Å; K11-D85 IonicContact NZ-OD2 2.69Å; K11-D85 PolarHBondContact NZ-OD2 3.22Å
12Q68.6Low81.8Confident66 Ų6669.6 Ų69.631%0.30834%0.341SS..Hα-helixtrans-62-39.4172.4-50.8-161.8-42.700112.7K8 K9 M10 R15 I180 F181K8-Q12 HydrophobicContact CG-CG 4.47Å; K8-Q12 WeakPolarHBondContact O-CG 2.98Å; K8-Q12 PolarHBondContact O-N 3.06Å; K9-Q12 PolarHBondContact O-N 3.07Å; M10-Q12 VanDerWaalsContact C-N 3.31Å; M10-Q12 PolarHBondContact O-N 3.07Å; Q12-R15 WeakPolarHBondContact O-CG 3.34Å; Q12-I180 PolarHBondContact NE2-O 3.32Å; Q12-F181 VanDerWaalsContact CA-CE1 3.46Å; Q12-F181 HydrophobicContact CB-CD1 3.8Å; Q12-F181 HydrophobicContact CB-CE1 3.9Å; Q12-F181 HydrophobicContact CG-CD1 3.49Å; Q12-F181 VanDerWaalsContact CG-CD1 3.49Å; Q12-F181 HydrophobicContact CG-CE1 3.81Å
13K70.7Confident82.4Confident188 Ų18867.7 Ų67.782%0.81732%0.321SS*.Hα-helixtrans-72-35.6179.8-168.2178.1178-1750112.2K9 M10 K11K9-K13 WeakPolarHBondContact O-CB 3.19Å; K9-K13 PolarHBondContact O-N 2.86Å; M10-K13 WeakPolarHBondContact O-CB 3.5Å; M10-K13 PolarHBondContact O-N 3.09Å; K11-K13 VanDerWaalsContact C-N 3.32Å; K11-K13 PolarHBondContact O-N 3.36Å
14E75.4Confident83.3Confident101 Ų10161.9 Ų61.947%0.47229%0.291SS..Hα-helixtrans-79.5-27.2-177.1-72.5168-177.600112.7M10 K11 E16M10-E14 WeakPolarHBondContact O-CG 3.43Å; M10-E14 PolarHBondContact O-N 3.07Å; K11-E14 PolarHBondContact O-N 3.43Å; E14-E16 HydrophobicContact CB-CB 4.29Å; E14-E16 HydrophobicContact CB-CG 4.37Å; E14-E16 PolarHBondContact O-N 2.92Å; E14-E16 VanDerWaalsContact O-N 3.07Å
15R87.3Confident84.5Confident97 Ų9757.1 Ų57.137%0.36627%0.266SS..THydrogen-bonded Turntrans47.834.9-175.6-61.1-171.370.8-173-5.1112K11 Q12 R58 F60 K61K11-R15 PolarHBondContact O-N 3.48Å; K11-R15 VanDerWaalsContact O-N 3.09Å; Q12-R15 WeakPolarHBondContact O-CG 3.34Å; R15-R58 PolarHBondContact NH2-O 3.03Å; R15-F60 HydrophobicContact CB-CD1 3.76Å; R15-F60 HydrophobicContact CB-CE1 4.09Å; R15-F60 HydrophobicContact CG-CD1 4.48Å; R15-F60 HydrophobicContact CG-CE1 4.34Å; R15-F60 VanDerWaalsContact O-CA 3.27Å; R15-F60 WeakPolarHBondContact O-CA 3.37Å; R15-F60 WeakPolarHBondContact O-CD1 3.19Å; R15-K61 PolarHBondContact O-N 3.04Å
16E92.8Very high85.8Confident66 Ų6659.5 Ų59.531%0.30828%0.276SS..EExtended strand (participates in β ladder)trans-97.6125.9177.9-82.9176.4-159.800109.1E14 K61E14-E16 HydrophobicContact CB-CB 4.29Å; E14-E16 HydrophobicContact CB-CG 4.37Å; E14-E16 PolarHBondContact O-N 2.92Å; E14-E16 VanDerWaalsContact O-N 3.07Å; E16-K61 WeakPolarHBondContact CA-O 3.34Å; E16-K61 HydrophobicContact CG-CB 3.69Å; E16-K61 HydrophobicContact CG-CD 3.74Å; E16-K61 HydrophobicContact CG-CG 4.33Å; E16-K61 VanDerWaalsContact OE1-CD 3.3Å; E16-K61 WeakPolarHBondContact OE1-CD 3.5Å; E16-K61 IonicContact OE1-NZ 3.8Å; E16-K61 PolarHBondContact OE1-NZ 3.46Å
17L95.2Very high86.8Confident1 Ų155.7 Ų55.71%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-122.6136.8-178.7-63.7179.1000110.1F60 K61 L62 N63 D85 L173 I176 I180L17-F60 HydrophobicContact CD1-CD1 3.82Å; L17-F60 HydrophobicContact CD1-CE1 4.25Å; L17-F60 HydrophobicContact CD1-CG 4.24Å; L17-F60 HydrophobicContact CG-CD1 4.1Å; L17-K61 PolarHBondContact N-O 2.73Å; L17-L62 HydrophobicContact CB-CD2 4.02Å; L17-L62 HydrophobicContact CD1-CD2 4.08Å; L17-N63 PolarHBondContact O-N 2.98Å; L17-D85 HydrophobicContact CD2-CB 4.2Å; L17-L173 HydrophobicContact CD1-CD2 3.35Å; L17-I176 HydrophobicContact CD1-CD1 4.47Å; L17-I176 HydrophobicContact CD1-CG2 4.02Å; L17-I176 HydrophobicContact CD2-CG2 3.68Å; L17-I180 HydrophobicContact CD2-CD1 4.27Å
18R97Very high88.1Confident36 Ų3651.6 Ų51.614%0.13624%0.239CC..EExtended strand (participates in β ladder)trans-100113.8173.8-177.2172.1-177.5-77.9-4.2110Y80 E82 S83 T84 D85 G86R18-Y80 VanDerWaalsContact CZ-O 3.26Å; R18-Y80 PolarHBondContact NH1-O 3.03Å; R18-Y80 PolarHBondContact NH2-O 3.41Å; R18-E82 PolarHBondContact NH1-O 3.02Å; R18-S83 WeakPolarHBondContact CB-O 3.47Å; R18-S83 VanDerWaalsContact CD-O 3.32Å; R18-S83 WeakPolarHBondContact CD-O 3.43Å; R18-T84 PolarHBondContact NH1-OG1 3.33Å; R18-D85 PolarHBondContact N-OD2 3.22Å; R18-D85 PolarHBondContact O-N 3.18Å; R18-G86 PolarHBondContact O-N 3.07Å
19L98.6Very high89.6Confident0 Ų048.7 Ų48.70%023%0.226CC..EExtended strand (participates in β ladder)trans-106.3130.3177.8-53.2-175.4000109.7L62 N63 I64 W65 G86 I88 L172 I176L19-L62 HydrophobicContact CD1-CB 4.33Å; L19-L62 HydrophobicContact CD1-CD1 4.32Å; L19-L62 HydrophobicContact CD1-CD2 3.95Å; L19-L62 HydrophobicContact CD1-CG 4.44Å; L19-L62 HydrophobicContact CG-CD2 4.45Å; L19-N63 PolarHBondContact N-O 2.89Å; L19-I64 HydrophobicContact CB-CG1 4.24Å; L19-I64 HydrophobicContact CD1-CD1 4.4Å; L19-I64 HydrophobicContact CD1-CG1 4.24Å; L19-I64 CarbonylContact O-C 3.51Å; L19-I64 WeakPolarHBondContact O-CA 3.35Å; L19-W65 PolarHBondContact O-N 2.74Å; L19-G86 WeakPolarHBondContact CA-O 3.38Å; L19-I88 HydrophobicContact CB-CD1 4.45Å; L19-I88 HydrophobicContact CD1-CD1 4.3Å; L19-L172 HydrophobicContact CD1-CD2 4.11Å; L19-L172 HydrophobicContact CD2-CD2 4.05Å; L19-I176 HydrophobicContact CD2-CD1 4Å
20L98.8Very high90.9Very high0 Ų044 Ų440%021%0.207CC..EExtended strand (participates in β ladder)trans-107.2120.9176.4-179.562.4000109.1L22 W65 V67 F81 T84 G86 L87 I88 L115L20-L22 HydrophobicContact CD1-CD2 4.27Å; L20-L22 HydrophobicContact CD1-CG 4.41Å; L20-L22 HydrophobicContact CD2-CD1 3.87Å; L20-L22 HydrophobicContact CD2-CG 4.21Å; L20-L22 HydrophobicContact CG-CD1 4.18Å; L20-L22 HydrophobicContact CG-CD2 4.36Å; L20-L22 HydrophobicContact CG-CG 3.96Å; L20-W65 HydrophobicContact CD1-CB 3.92Å; L20-V67 HydrophobicContact CD1-CG2 3.87Å; L20-F81 HydrophobicContact CD2-CD1 3.78Å; L20-F81 HydrophobicContact CD2-CE1 4.3Å; L20-T84 HydrophobicContact CB-CG2 3.69Å; L20-G86 PolarHBondContact N-O 3.36Å; L20-L87 HydrophobicContact CB-CD1 4.43Å; L20-L87 HydrophobicContact CD2-CD1 4.34Å; L20-L87 HydrophobicContact CG-CD1 4.34Å; L20-L87 CarbonylContact O-C 3.55Å; L20-L87 WeakPolarHBondContact O-CA 3.39Å; L20-I88 PolarHBondContact O-N 3.44Å; L20-L115 HydrophobicContact CD2-CD2 4.31Å
21M98.8Very high92.3Very high0 Ų040.7 Ų40.70%019%0.192CC..EExtended strand (participates in β ladder)trans-105.4112.1179.7-169-179.5-61.600110.5K29 I32 I64 W65 V67 I88 V90M21-K29 HydrophobicContact CG-CB 4.13Å; M21-K29 HydrophobicContact CG-CD 4.34Å; M21-K29 HydrophobicContact CG-CG 4.15Å; M21-K29 HydrophobicContact SD-CB 3.83Å; M21-K29 HydrophobicContact SD-CG 4.37Å; M21-K29 VanDerWaalsContact SD-O 3.41Å; M21-I32 HydrophobicContact CE-CB 4.48Å; M21-I32 HydrophobicContact CE-CG2 3.86Å; M21-I32 HydrophobicContact SD-CB 4.33Å; M21-I32 HydrophobicContact SD-CG2 4.32Å; M21-I64 HydrophobicContact CB-CG2 4.41Å; M21-I64 HydrophobicContact CE-CG2 3.97Å; M21-W65 PolarHBondContact N-O 3.44Å; M21-V67 PolarHBondContact O-N 3.01Å; M21-I88 CarbonylContact C-O 3.6Å; M21-I88 WeakPolarHBondContact CA-O 3.32Å; M21-I88 HydrophobicContact CB-CB 4.31Å; M21-I88 HydrophobicContact CE-CD1 4.01Å; M21-I88 HydrophobicContact CE-CG2 4.37Å; M21-I88 HydrophobicContact CG-CB 4.12Å; M21-I88 HydrophobicContact CG-CG2 4.07Å; M21-V90 HydrophobicContact CG-CG2 3.79Å; M21-V90 HydrophobicContact SD-CG2 4.07Å
22L98.9Very high93.7Very high0 Ų037.7 Ų37.70%018%0.179CC..EExtended strand (participates in β ladder)trans-125.4172.9-179.8-61.2-179.1000111L20 K29 V67 W77 F81 L87 I88 W89 V90 L109L20-L22 HydrophobicContact CD1-CD2 4.27Å; L20-L22 HydrophobicContact CD1-CG 4.41Å; L20-L22 HydrophobicContact CD2-CD1 3.87Å; L20-L22 HydrophobicContact CD2-CG 4.21Å; L20-L22 HydrophobicContact CG-CD1 4.18Å; L20-L22 HydrophobicContact CG-CD2 4.36Å; L20-L22 HydrophobicContact CG-CG 3.96Å; L22-K29 WeakPolarHBondContact O-CD 3.42Å; L22-V67 HydrophobicContact CD2-CB 3.71Å; L22-V67 HydrophobicContact CD2-CG1 4.43Å; L22-V67 HydrophobicContact CD2-CG2 4.05Å; L22-W77 HydrophobicContact CD1-CB 4.39Å; L22-W77 HydrophobicContact CD1-CD2 4.19Å; L22-W77 HydrophobicContact CD1-CE3 4.22Å; L22-W77 HydrophobicContact CD1-CG 4.32Å; L22-W77 HydrophobicContact CD2-CD2 4.05Å; L22-W77 HydrophobicContact CD2-CG 3.94Å; L22-F81 HydrophobicContact CD1-CE1 4Å; L22-L87 HydrophobicContact CB-CD1 4.33Å; L22-L87 HydrophobicContact CD1-CD1 4.01Å; L22-L87 HydrophobicContact CG-CD1 4.18Å; L22-I88 PolarHBondContact N-O 2.97Å; L22-W89 HydrophobicContact CB-CE3 3.89Å; L22-W89 HydrophobicContact CB-CZ3 3.87Å; L22-W89 WeakPolarHBondContact O-CA 3.33Å; L22-V90 PolarHBondContact O-N 3.45Å; L22-L109 HydrophobicContact CB-CD1 4.42Å; L22-L109 HydrophobicContact CD1-CD1 3.79Å; L22-L109 HydrophobicContact CD1-CD2 4Å
23G98.8Very high95.1Very high0 Ų034.8 Ų34.80%017%0.166CC..  trans145.1166-173.100000110.4K29 G69 W77 W89 V90G23-K29 PolarHBondContact O-NZ 3.01Å; G23-G69 WeakPolarHBondContact O-CA 3.46Å; G23-W77 WeakPolarHBondContact O-CZ2 3.39Å; G23-W89 VanDerWaalsContact CA-CZ3 3.49Å; G23-W89 VanDerWaalsContact N-CZ3 3.29Å; G23-V90 WeakPolarHBondContact CA-O 3.18Å
24L98.8Very high96.3Very high8 Ų828.1 Ų28.14%0.04214%0.137CC..SBendtrans-61.3160.9179.1-53.1-164.7000111.5A27 K29 W89 R98 D101 C102 E105L24-A27 VanDerWaalsContact O-CB 3.27Å; L24-A27 WeakPolarHBondContact O-CB 3.41Å; L24-A27 PolarHBondContact O-N 3.2Å; L24-K29 PolarHBondContact O-NZ 2.69Å; L24-W89 HydrophobicContact CD2-CH2 4.48Å; L24-R98 HydrophobicContact CD1-CB 3.95Å; L24-D101 HydrophobicContact CD1-CB 4.23Å; L24-C102 HydrophobicContact CD1-CB 3.97Å; L24-C102 HydrophobicContact CG-CB 4.22Å; L24-E105 HydrophobicContact CD2-CB 4.29Å; L24-E105 HydrophobicContact CD2-CG 3.98Å
25D98.2Very high97.4Very high46 Ų4626.7 Ų26.725%0.24613%0.129CC..THydrogen-bonded Turntrans-54.8148.5166.452.5-80.7000111.1A27 G69 Q70 R74 R98D25-A27 PolarHBondContact O-N 3.38Å; D25-A27 VanDerWaalsContact O-N 3.14Å; D25-G69 PolarHBondContact N-O 3.41Å; D25-G69 VanDerWaalsContact N-O 3.12Å; D25-Q70 HydrophobicContact CB-CG 4.07Å; D25-R74 IonicContact OD1-NH2 3.32Å; D25-R74 PolarHBondContact OD1-NH2 2.88Å; D25-R98 VanDerWaalsContact CG-NH1 3.29Å; D25-R98 PolarHBondContact O-NH1 3.16Å; D25-R98 PolarHBondContact O-NH2 2.99Å; D25-R98 IonicContact OD1-NH1 2.89Å; D25-R98 PolarHBondContact OD1-NH1 3.38Å; D25-R98 IonicContact OD2-CZ 2.77Å; D25-R98 IonicContact OD2-NH1 3.57Å; D25-R98 PolarHBondContact OD2-NH1 2.87Å
26N98.2Very high97.7Very high113 Ų11324.2 Ų24.260%0.60412%0.121SC*.THydrogen-bonded Turntrans65.51.3-175.3-160.341.7000116.2G28 K126N26-G28 PolarHBondContact O-N 2.94Å; N26-G28 VanDerWaalsContact O-N 3.14Å; N26-K126 PolarHBondContact ND2-NZ 3.06Å; N26-K126 WeakPolarHBondContact O-CE 3.49Å; N26-K126 PolarHBondContact O-NZ 3.19Å
27A98.6Very high97.7Very high1 Ų124.3 Ų24.31%0.00812%0.123CC..SBendtrans-64.6-17.5178.100000114.7L24 D25 V90 N125L24-A27 VanDerWaalsContact O-CB 3.27Å; L24-A27 WeakPolarHBondContact O-CB 3.41Å; L24-A27 PolarHBondContact O-N 3.2Å; D25-A27 PolarHBondContact O-N 3.38Å; D25-A27 VanDerWaalsContact O-N 3.14Å; A27-V90 HydrophobicContact CB-CB 4.22Å; A27-V90 HydrophobicContact CB-CG1 4.01Å; A27-V90 VanDerWaalsContact CB-O 3.29Å; A27-V90 WeakPolarHBondContact CB-O 3.38Å; A27-V90 VanDerWaalsContact O-CG1 3.31Å; A27-V90 WeakPolarHBondContact O-CG1 3.48Å; A27-N125 PolarHBondContact O-ND2 2.94Å
28G98.4Very high97.6Very high12 Ų1227.7 Ų27.712%0.12416%0.159CC..SBendtrans98.518.6177.800000115.5N26 T31 I32N26-G28 PolarHBondContact O-N 2.94Å; N26-G28 VanDerWaalsContact O-N 3.14Å; G28-T31 WeakPolarHBondContact O-CB 2.98Å; G28-T31 PolarHBondContact O-N 3.14Å; G28-I32 WeakPolarHBondContact O-CG1 3.45Å; G28-I32 PolarHBondContact O-N 3.29Å
29K98.7Very high97.5Very high12 Ų1228.9 Ų28.95%0.05217%0.166CC..Hα-helixtrans-53.7-55.6179.6-59.9-175-64-73.80113.4M21 L22 G23 L24 T31 I32 L33 D66 V67 V90M21-K29 HydrophobicContact CG-CB 4.13Å; M21-K29 HydrophobicContact CG-CD 4.34Å; M21-K29 HydrophobicContact CG-CG 4.15Å; M21-K29 HydrophobicContact SD-CB 3.83Å; M21-K29 HydrophobicContact SD-CG 4.37Å; M21-K29 VanDerWaalsContact SD-O 3.41Å; L22-K29 WeakPolarHBondContact O-CD 3.42Å; G23-K29 PolarHBondContact O-NZ 3.01Å; L24-K29 PolarHBondContact O-NZ 2.69Å; K29-T31 VanDerWaalsContact C-N 3.26Å; K29-T31 PolarHBondContact O-N 3.16Å; K29-I32 WeakPolarHBondContact O-CB 3.44Å; K29-I32 PolarHBondContact O-N 3.29Å; K29-I32 VanDerWaalsContact O-N 3.15Å; K29-L33 PolarHBondContact O-N 3.07Å; K29-D66 WeakPolarHBondContact CB-OD1 3.2Å; K29-V67 WeakPolarHBondContact CE-O 3.36Å; K29-V90 HydrophobicContact CG-CB 3.8Å; K29-V90 HydrophobicContact CG-CG1 4.41Å; K29-V90 HydrophobicContact CG-CG2 3.78Å
30T98.3Very high97.3Very high21 Ų2133.4 Ų33.413%0.12919%0.19CC..Hα-helixtrans-63.2-33.6178.2-47.40000112.1L33 K34 I44 T47 D66T30-L33 PolarHBondContact O-N 3.11Å; T30-K34 HydrophobicContact CG2-CD 4.44Å; T30-K34 WeakPolarHBondContact O-CB 3.37Å; T30-K34 WeakPolarHBondContact O-CG 3.41Å; T30-K34 PolarHBondContact O-N 3.47Å; T30-I44 HydrophobicContact CG2-CG2 4.12Å; T30-T47 PolarHBondContact OG1-OG1 3.15Å; T30-D66 WeakPolarHBondContact CA-OD2 3.49Å; T30-D66 WeakPolarHBondContact CB-OD2 3.4Å; T30-D66 PolarHBondContact OG1-OD1 2.9Å; T30-D66 PolarHBondContact OG1-OD2 2.73Å
31T98.6Very high97.1Very high23 Ų2335.1 Ų35.114%0.14120%0.199CC..Hα-helixtrans-62.9-46173.7-45.90000111.3G28 K29 L33 K34 K35 I41 I44 A159 V160G28-T31 WeakPolarHBondContact O-CB 2.98Å; G28-T31 PolarHBondContact O-N 3.14Å; K29-T31 VanDerWaalsContact C-N 3.26Å; K29-T31 PolarHBondContact O-N 3.16Å; T31-L33 PolarHBondContact O-N 3.35Å; T31-K34 PolarHBondContact O-N 3.33Å; T31-K35 VanDerWaalsContact O-CB 3.26Å; T31-K35 WeakPolarHBondContact O-CB 3.27Å; T31-K35 PolarHBondContact O-N 2.68Å; T31-I41 HydrophobicContact CG2-CB 4.17Å; T31-I41 HydrophobicContact CG2-CD1 4.27Å; T31-I41 HydrophobicContact CG2-CG2 4.06Å; T31-I44 HydrophobicContact CG2-CD1 3.94Å; T31-I44 WeakPolarHBondContact OG1-CD1 3.33Å; T31-A159 HydrophobicContact CG2-CB 3.75Å; T31-V160 HydrophobicContact CG2-CG1 4.39Å
32I98.6Very high96.8Very high0 Ų041.9 Ų41.90%024%0.235CC..Hα-helixtrans-58.8-48.4175.6-69.1172.5000110.2M21 G28 K29 K34 K35 F36 V90 F123 A159 L165M21-I32 HydrophobicContact CE-CB 4.48Å; M21-I32 HydrophobicContact CE-CG2 3.86Å; M21-I32 HydrophobicContact SD-CB 4.33Å; M21-I32 HydrophobicContact SD-CG2 4.32Å; G28-I32 WeakPolarHBondContact O-CG1 3.45Å; G28-I32 PolarHBondContact O-N 3.29Å; K29-I32 WeakPolarHBondContact O-CB 3.44Å; K29-I32 PolarHBondContact O-N 3.29Å; K29-I32 VanDerWaalsContact O-N 3.15Å; I32-K34 PolarHBondContact O-N 2.74Å; I32-K35 PolarHBondContact O-N 2.89Å; I32-F36 HydrophobicContact CG2-CD2 3.74Å; I32-F36 HydrophobicContact CG2-CE2 3.31Å; I32-F36 HydrophobicContact CG2-CZ 4.11Å; I32-F36 VanDerWaalsContact O-CD2 3.32Å; I32-F36 WeakPolarHBondContact O-CD2 3.3Å; I32-F36 PolarHBondContact O-N 3.29Å; I32-V90 HydrophobicContact CD1-CG1 3.69Å; I32-V90 HydrophobicContact CD1-CG2 3.94Å; I32-F123 HydrophobicContact CD1-CB 4.36Å; I32-F123 HydrophobicContact CD1-CD2 4Å; I32-F123 HydrophobicContact CD1-CG 4.37Å; I32-F123 HydrophobicContact CG2-CE2 4.45Å; I32-A159 HydrophobicContact CB-CB 4.48Å; I32-A159 HydrophobicContact CD1-CB 4.44Å; I32-A159 HydrophobicContact CG1-CB 3.45Å; I32-A159 VanDerWaalsContact CG1-CB 3.45Å; I32-L165 HydrophobicContact CD1-CD2 4.32Å; I32-L165 HydrophobicContact CG1-CD2 4.02Å; I32-L165 HydrophobicContact CG2-CD1 4.48Å; I32-L165 HydrophobicContact CG2-CD2 4.18Å
33L97.9Very high96.3Very high6 Ų647 Ų473%0.03127%0.266CS..Hα-helixtrans-59.9-47-179.6-174.960.4000112.1K29 T30 T31 F36 N37 N51 K53 I64 D66K29-L33 PolarHBondContact O-N 3.07Å; T30-L33 PolarHBondContact O-N 3.11Å; T31-L33 PolarHBondContact O-N 3.35Å; L33-F36 PolarHBondContact O-N 3.5Å; L33-N37 PolarHBondContact O-N 3.31Å; L33-N51 HydrophobicContact CD2-CB 4.11Å; L33-K53 HydrophobicContact CD1-CB 3.91Å; L33-K53 HydrophobicContact CD1-CG 4.15Å; L33-K53 HydrophobicContact CD2-CB 4.38Å; L33-K53 HydrophobicContact CD2-CG 3.93Å; L33-K53 HydrophobicContact CG-CB 4.34Å; L33-K53 HydrophobicContact CG-CG 4.02Å; L33-I64 HydrophobicContact CD1-CB 3.88Å; L33-I64 HydrophobicContact CD1-CD1 4.23Å; L33-I64 HydrophobicContact CD1-CG2 3.84Å; L33-D66 HydrophobicContact CD2-CB 3.61Å
34K97.6Very high95.9Very high47 Ų4749.8 Ų49.820%0.20428%0.28CS..Hα-helixtrans-62.3-42.3175.9-78-176.9147.9-152.60111.8T30 T31 I32 F36 N37 G38 E39 D40 I41 T43 I44T30-K34 HydrophobicContact CG2-CD 4.44Å; T30-K34 WeakPolarHBondContact O-CB 3.37Å; T30-K34 WeakPolarHBondContact O-CG 3.41Å; T30-K34 PolarHBondContact O-N 3.47Å; T31-K34 PolarHBondContact O-N 3.33Å; I32-K34 PolarHBondContact O-N 2.74Å; K34-F36 PolarHBondContact O-N 2.94Å; K34-N37 CarbonylContact O-C 3.59Å; K34-N37 PolarHBondContact O-N 2.96Å; K34-G38 PolarHBondContact O-N 2.9Å; K34-G38 VanDerWaalsContact O-N 3.12Å; K34-E39 HydrophobicContact CB-CB 3.99Å; K34-E39 HydrophobicContact CG-CB 4.17Å; K34-E39 PolarHBondContact O-N 2.96Å; K34-D40 WeakPolarHBondContact CD-O 3.09Å; K34-D40 PolarHBondContact NZ-O 2.57Å; K34-I41 HydrophobicContact CB-CG2 3.78Å; K34-T43 PolarHBondContact NZ-O 2.98Å; K34-I44 HydrophobicContact CD-CD1 4Å; K34-I44 HydrophobicContact CD-CG1 4.02Å
35K97.3Very high95.6Very high71 Ų7154.1 Ų54.131%0.30931%0.311SS..Hα-helixtrans-61.6-42.6179-165.873177.1-166.50111.7T31 I32 N37 G38 I41 A159 V160 T161 L165T31-K35 VanDerWaalsContact O-CB 3.26Å; T31-K35 WeakPolarHBondContact O-CB 3.27Å; T31-K35 PolarHBondContact O-N 2.68Å; I32-K35 PolarHBondContact O-N 2.89Å; K35-N37 VanDerWaalsContact C-N 3.27Å; K35-N37 PolarHBondContact O-N 3.32Å; K35-G38 PolarHBondContact O-N 2.87Å; K35-I41 HydrophobicContact CD-CD1 4.38Å; K35-A159 WeakPolarHBondContact CD-O 3.32Å; K35-A159 WeakPolarHBondContact CG-O 3.3Å; K35-V160 PolarHBondContact NZ-O 2.79Å; K35-T161 VanDerWaalsContact CE-O 3.26Å; K35-T161 WeakPolarHBondContact CE-O 3.19Å; K35-T161 PolarHBondContact NZ-O 2.74Å; K35-L165 HydrophobicContact CB-CD1 4.1Å; K35-L165 HydrophobicContact CG-CD1 3.93Å
36F94.4Very high95.5Very high46 Ų4656.3 Ų56.320%0.20233%0.328CS..Hα-helixtrans-61.5-36173.8-75.1-50.9000112.9I32 L33 K34 G38 L55 F123 L165 L166 I169I32-F36 HydrophobicContact CG2-CD2 3.74Å; I32-F36 HydrophobicContact CG2-CE2 3.31Å; I32-F36 HydrophobicContact CG2-CZ 4.11Å; I32-F36 VanDerWaalsContact O-CD2 3.32Å; I32-F36 WeakPolarHBondContact O-CD2 3.3Å; I32-F36 PolarHBondContact O-N 3.29Å; L33-F36 PolarHBondContact O-N 3.5Å; K34-F36 PolarHBondContact O-N 2.94Å; F36-G38 VanDerWaalsContact C-N 3.25Å; F36-G38 PolarHBondContact O-N 3.02Å; F36-L55 HydrophobicContact CB-CD1 3.51Å; F36-L55 HydrophobicContact CD2-CD1 4.47Å; F36-L55 HydrophobicContact CG-CD1 4.21Å; F36-F123 HydrophobicContact CZ-CZ 4.48Å; F36-L165 HydrophobicContact CE1-CB 3.57Å; F36-L165 HydrophobicContact CE1-CD1 4.38Å; F36-L165 HydrophobicContact CZ-CB 3.7Å; F36-L165 HydrophobicContact CZ-CD1 4.48Å; F36-L166 HydrophobicContact CD1-CD2 4.38Å; F36-L166 HydrophobicContact CE1-CD2 4.1Å; F36-I169 HydrophobicContact CE1-CG1 3.95Å; F36-I169 HydrophobicContact CE2-CD1 4.16Å; F36-I169 HydrophobicContact CE2-CG1 4.04Å; F36-I169 HydrophobicContact CZ-CD1 3.95Å; F36-I169 HydrophobicContact CZ-CG1 3.35Å
37N92.4Very high95.2Very high67 Ų6752.1 Ų52.136%0.35831%0.307SS..THydrogen-bonded Turntrans-83.93.3179.5-157.148.1000113.7L33 K34 K35 E39 L55L33-N37 PolarHBondContact O-N 3.31Å; K34-N37 CarbonylContact O-C 3.59Å; K34-N37 PolarHBondContact O-N 2.96Å; K35-N37 VanDerWaalsContact C-N 3.27Å; K35-N37 PolarHBondContact O-N 3.32Å; N37-E39 HydrophobicContact CB-CG 4.07Å; N37-E39 PolarHBondContact ND2-OE1 3.42Å; N37-E39 PolarHBondContact O-N 2.89Å; N37-L55 HydrophobicContact CB-CD2 4.05Å; N37-L55 WeakPolarHBondContact OD1-CD2 3.42Å
38G93.2Very high94.8Very high72 Ų7258.3 Ų58.374%0.74234%0.339SS*.THydrogen-bonded Turntrans63.223.2-17500000113.7K34 K35 F36K34-G38 PolarHBondContact O-N 2.9Å; K34-G38 VanDerWaalsContact O-N 3.12Å; K35-G38 PolarHBondContact O-N 2.87Å; F36-G38 VanDerWaalsContact C-N 3.25Å; F36-G38 PolarHBondContact O-N 3.02Å
39E94.6Very high94.5Very high62 Ų6259.3 Ų59.329%0.2935%0.35SS..  trans-83.2157.2178.3-71.2179.8-160.900111.8K34 N37 K53K34-E39 HydrophobicContact CB-CB 3.99Å; K34-E39 HydrophobicContact CG-CB 4.17Å; K34-E39 PolarHBondContact O-N 2.96Å; N37-E39 HydrophobicContact CB-CG 4.07Å; N37-E39 PolarHBondContact ND2-OE1 3.42Å; N37-E39 PolarHBondContact O-N 2.89Å; E39-K53 WeakPolarHBondContact OE1-CE 3.39Å; E39-K53 IonicContact OE1-NZ 2.64Å; E39-K53 PolarHBondContact OE1-NZ 3.25Å
40D94.1Very high94.4Very high95 Ų9563.1 Ų63.151%0.50837%0.366SS..  trans-64.1133.6172.4-17921000111.8K34 D42K34-D40 WeakPolarHBondContact CD-O 3.09Å; K34-D40 PolarHBondContact NZ-O 2.57Å; D40-D42 WeakPolarHBondContact OD1-CB 3.45Å; D40-D42 PolarHBondContact OD1-N 2.77Å
41I95.6Very high94.2Very high35 Ų3565.2 Ų65.218%0.17938%0.377CS..  trans-112.3-0.2-176.660.3167000113.4T31 K34 K35 T43 I44 V160T31-I41 HydrophobicContact CG2-CB 4.17Å; T31-I41 HydrophobicContact CG2-CD1 4.27Å; T31-I41 HydrophobicContact CG2-CG2 4.06Å; K34-I41 HydrophobicContact CB-CG2 3.78Å; K35-I41 HydrophobicContact CD-CD1 4.38Å; I41-T43 VanDerWaalsContact C-N 3.28Å; I41-T43 PolarHBondContact O-N 3.22Å; I41-I44 HydrophobicContact CB-CD1 4.03Å; I41-I44 HydrophobicContact CG2-CD1 4.31Å; I41-V160 HydrophobicContact CD1-CB 4.37Å; I41-V160 HydrophobicContact CD1-CG1 4.5Å
42D91.2Very high94.1Very high142 Ų14267.8 Ų67.876%0.75939%0.389SS*.SBendtrans-66.6-31.4-176.2-72.4-10.7000112.4D40D40-D42 WeakPolarHBondContact OD1-CB 3.45Å; D40-D42 PolarHBondContact OD1-N 2.77Å
43T89.6Confident94Very high107 Ų10771.2 Ų71.266%0.65640%0.403SS*.  trans-120.8104.7177.156.10000111.1K34 I41K34-T43 PolarHBondContact NZ-O 2.98Å; I41-T43 VanDerWaalsContact C-N 3.28Å; I41-T43 PolarHBondContact O-N 3.22Å
44I90.9Very high93.9Very high59 Ų5974.8 Ų74.830%0.30343%0.426SS..  trans-131.4113176.5-59.5176.9000108.8T30 T31 K34 I41T30-I44 HydrophobicContact CG2-CG2 4.12Å; T31-I44 HydrophobicContact CG2-CD1 3.94Å; T31-I44 WeakPolarHBondContact OG1-CD1 3.33Å; K34-I44 HydrophobicContact CD-CD1 4Å; K34-I44 HydrophobicContact CD-CG1 4.02Å; I41-I44 HydrophobicContact CB-CD1 4.03Å; I41-I44 HydrophobicContact CG2-CD1 4.31Å
45S92.4Very high93.8Very high99 Ų9973.5 Ų73.569%0.69242%0.421SS*.PPolyproline II helixtrans-87.9154.3171.8-62.80000110.8T47S45-T47 PolarHBondContact O-N 3.33Å
46P94.2Very high93.6Very high93 Ų9377.7 Ų77.760%0.60444%0.442SS*.PPolyproline II helixtrans-55.3129.5172.5-25.434.5000112.3L48P46-L48 PolarHBondContact O-N 3.05Å
47T93.1Very high93.7Very high25 Ų2577.7 Ų77.715%0.15344%0.442CS..PPolyproline II helixtrans-72.7119178.6-50.50000110.8T30 S45 G68T30-T47 PolarHBondContact OG1-OG1 3.15Å; S45-T47 PolarHBondContact O-N 3.33Å; T47-G68 VanDerWaalsContact O-CA 3.25Å; T47-G68 WeakPolarHBondContact O-CA 3.4Å
48L89.3Confident93.7Very high131 Ų13179.9 Ų79.969%0.68645%0.445SS*.SBendtrans-86.5-14.7177.6-64.8178.7000113.8P46 L73P46-L48 PolarHBondContact O-N 3.05Å; L48-L73 WeakPolarHBondContact O-CD1 3.41Å
49G93.4Very high93.6Very high33 Ų3379 Ų7934%0.3444%0.437SS..SBendtrans-136.4-112179.600000110.9G68G49-G68 PolarHBondContact O-N 3.15Å
50F95.8Very high93.6Very high92 Ų9276.4 Ų76.440%0.40443%0.425SS..EExtended strand (participates in β ladder)trans-147.6157.5177.665.1-82.3000111.4I52 W65 D66 V67 Y80F50-I52 HydrophobicContact CD2-CD1 4.13Å; F50-I52 HydrophobicContact CD2-CG1 3.78Å; F50-I52 HydrophobicContact CE2-CD1 3.69Å; F50-I52 HydrophobicContact CE2-CG1 3.83Å; F50-W65 AromaticContact CD2-CE3 3.96Å; F50-W65 HydrophobicContact CD2-CE3 3.96Å; F50-W65 HydrophobicContact CD2-CZ3 4Å; F50-W65 HydrophobicContact CE2-CE3 4.29Å; F50-W65 AromaticContact CE2-CZ3 3.87Å; F50-W65 HydrophobicContact CE2-CZ3 3.87Å; F50-W65 HydrophobicContact CZ-CZ3 4.46Å; F50-D66 CarbonylContact C-O 3.52Å; F50-D66 WeakPolarHBondContact CA-O 3.18Å; F50-D66 WeakPolarHBondContact CB-O 3.28Å; F50-V67 HydrophobicContact CB-CG2 4.14Å; F50-Y80 HydrophobicContact CB-CE1 4.43Å; F50-Y80 AromaticContact CD1-CE1 3.71Å; F50-Y80 HydrophobicContact CD1-CE1 3.71Å; F50-Y80 AromaticContact CD1-CZ 3.7Å; F50-Y80 WeakPolarHBondContact CD1-OH 3.26Å; F50-Y80 HydrophobicContact CE1-CE1 4.06Å; F50-Y80 AromaticContact CG-CE1 3.96Å; F50-Y80 HydrophobicContact CG-CE1 3.96Å
51N95.1Very high93.7Very high65 Ų6575.8 Ų75.835%0.34842%0.417SS..EExtended strand (participates in β ladder)trans-117146168.2-60.5-64.5000109.1L33 W65 D66L33-N51 HydrophobicContact CD2-CB 4.11Å; N51-W65 WeakPolarHBondContact O-CA 3.36Å; N51-D66 HydrophobicContact CB-CB 4.3Å; N51-D66 PolarHBondContact N-O 3.34Å; N51-D66 PolarHBondContact ND2-OD2 3.38Å; N51-D66 PolarHBondContact O-N 2.83Å
52I95.6Very high93.7Very high76 Ų7674.3 Ų74.339%0.3941%0.41SS..EExtended strand (participates in β ladder)trans-121130.6170.7-54.5175.2000108.1F50 I64 W65F50-I52 HydrophobicContact CD2-CD1 4.13Å; F50-I52 HydrophobicContact CD2-CG1 3.78Å; F50-I52 HydrophobicContact CE2-CD1 3.69Å; F50-I52 HydrophobicContact CE2-CG1 3.83Å; I52-I64 WeakPolarHBondContact CA-O 3.34Å; I52-W65 HydrophobicContact CD1-CD2 3.91Å; I52-W65 HydrophobicContact CD1-CE3 3.87Å; I52-W65 HydrophobicContact CD1-CH2 3.47Å; I52-W65 VanDerWaalsContact CD1-CH2 3.47Å; I52-W65 HydrophobicContact CD1-CZ2 3.48Å; I52-W65 VanDerWaalsContact CD1-CZ2 3.48Å; I52-W65 HydrophobicContact CD1-CZ3 3.66Å; I52-W65 HydrophobicContact CG1-CD2 3.85Å; I52-W65 HydrophobicContact CG1-CE3 3.94Å; I52-W65 HydrophobicContact CG1-CG 4.36Å; I52-W65 HydrophobicContact CG1-CH2 4.42Å; I52-W65 HydrophobicContact CG1-CZ2 4.33Å; I52-W65 HydrophobicContact CG1-CZ3 4.22Å
53K95.9Very high94Very high72 Ų7269.4 Ų69.431%0.31338%0.383SS..EExtended strand (participates in β ladder)trans-130.9138.9166.4-66.4-70.9-171162.40109.7L33 E39 I64L33-K53 HydrophobicContact CD1-CB 3.91Å; L33-K53 HydrophobicContact CD1-CG 4.15Å; L33-K53 HydrophobicContact CD2-CB 4.38Å; L33-K53 HydrophobicContact CD2-CG 3.93Å; L33-K53 HydrophobicContact CG-CB 4.34Å; L33-K53 HydrophobicContact CG-CG 4.02Å; E39-K53 WeakPolarHBondContact OE1-CE 3.39Å; E39-K53 IonicContact OE1-NZ 2.64Å; E39-K53 PolarHBondContact OE1-NZ 3.25Å; K53-I64 PolarHBondContact N-O 3.38Å; K53-I64 PolarHBondContact O-N 3.43Å
54T96.4Very high94.4Very high81 Ų8164.3 Ų64.350%0.49735%0.352SS..EExtended strand (participates in β ladder)trans-99.7120.4168.7-56.60000107.7K61 L62 N63T54-K61 HydrophobicContact CG2-CB 4.45Å; T54-L62 CarbonylContact C-O 3.59Å; T54-L62 VanDerWaalsContact CA-O 3.31Å; T54-L62 WeakPolarHBondContact CA-O 3.49Å; T54-N63 WeakPolarHBondContact CG2-OD1 3.31Å; T54-N63 PolarHBondContact OG1-OD1 2.56Å
55L94.8Very high94.8Very high21 Ų2164.2 Ų64.211%0.1135%0.348CS..EExtended strand (participates in β ladder)trans-114.8151.2177.2-59176.8000109.8F36 N37 K61 L62 I64F36-L55 HydrophobicContact CB-CD1 3.51Å; F36-L55 HydrophobicContact CD2-CD1 4.47Å; F36-L55 HydrophobicContact CG-CD1 4.21Å; N37-L55 HydrophobicContact CB-CD2 4.05Å; N37-L55 WeakPolarHBondContact OD1-CD2 3.42Å; L55-K61 CarbonylContact O-C 3.55Å; L55-K61 WeakPolarHBondContact O-CA 3.41Å; L55-L62 HydrophobicContact CB-CB 4.38Å; L55-L62 PolarHBondContact N-O 3.12Å; L55-L62 PolarHBondContact O-N 2.82Å; L55-I64 HydrophobicContact CD1-CD1 3.73Å
56E94.8Very high95.1Very high158 Ų15859.5 Ų59.574%0.73832%0.315SS*.EExtended strand (participates in β ladder)trans-108.3124.9172.5-66.4-171.217800109.9F60 K61E56-F60 WeakPolarHBondContact CA-O 3.45Å; E56-K61 HydrophobicContact CG-CG 4.25Å
57H95.1Very high95.3Very high46 Ų4655.3 Ų55.321%0.21329%0.288CS..EExtended strand (participates in β ladder)trans-146.8129.8176.6-173.349.7000110.6G59 F60 L62 D170H57-G59 PolarHBondContact O-N 3.06Å; H57-G59 VanDerWaalsContact O-N 3.07Å; H57-F60 PolarHBondContact N-O 2.98Å; H57-F60 WeakPolarHBondContact O-CB 3.48Å; H57-F60 PolarHBondContact O-N 2.86Å; H57-L62 HydrophobicContact CB-CD1 4.06Å; H57-D170 IonicContact CD2-OD1 2.87Å; H57-D170 IonicContact CE1-OD1 2.64Å; H57-D170 IonicContact NE2-OD1 2.65Å; H57-D170 PolarHBondContact NE2-OD1 3.38Å; H57-D170 IonicContact NE2-OD2 3.38Å
58R93.7Very high95.5Very high113 Ų11354.3 Ų54.343%0.42628%0.282SS..THydrogen-bonded Turntrans51.332.6179.4-65.617161.7-161.1-4114.7R15 F60 D170 D174R15-R58 PolarHBondContact NH2-O 3.03Å; R58-F60 VanDerWaalsContact C-N 3.25Å; R58-F60 HydrophobicContact CB-CD2 4.47Å; R58-F60 PolarHBondContact O-N 3.28Å; R58-D170 WeakPolarHBondContact CD-OD1 3.49Å; R58-D170 IonicContact CZ-OD1 3.82Å; R58-D170 IonicContact NE-OD1 3.79Å; R58-D170 PolarHBondContact NH1-O 3.11Å; R58-D170 IonicContact NH1-OD1 2.97Å; R58-D170 PolarHBondContact NH1-OD1 2.66Å; R58-D174 IonicContact CZ-OD1 3.33Å; R58-D174 IonicContact NH1-OD1 3.95Å; R58-D174 PolarHBondContact NH1-OD1 3.5Å; R58-D174 VanDerWaalsContact NH1-OD1 3.11Å; R58-D174 IonicContact NH1-OD2 3.5Å; R58-D174 IonicContact NH2-OD1 2.68Å; R58-D174 PolarHBondContact NH2-OD1 3.25Å; R58-D174 IonicContact NH2-OD2 3.19Å
59G90.9Very high95.9Very high55 Ų5548.2 Ų48.257%0.56725%0.251SS*.THydrogen-bonded Turntrans74.710.6-177.600000114.5H57H57-G59 PolarHBondContact O-N 3.06Å; H57-G59 VanDerWaalsContact O-N 3.07Å
60F93.9Very high96Very high7 Ų749.4 Ų49.43%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-96.7144.2166.1-67.2-80.4000110.4R15 L17 E56 H57 R58 L62 L173 S177 F181R15-F60 HydrophobicContact CB-CD1 3.76Å; R15-F60 HydrophobicContact CB-CE1 4.09Å; R15-F60 HydrophobicContact CG-CD1 4.48Å; R15-F60 HydrophobicContact CG-CE1 4.34Å; R15-F60 VanDerWaalsContact O-CA 3.27Å; R15-F60 WeakPolarHBondContact O-CA 3.37Å; R15-F60 WeakPolarHBondContact O-CD1 3.19Å; L17-F60 HydrophobicContact CD1-CD1 3.82Å; L17-F60 HydrophobicContact CD1-CE1 4.25Å; L17-F60 HydrophobicContact CD1-CG 4.24Å; L17-F60 HydrophobicContact CG-CD1 4.1Å; E56-F60 WeakPolarHBondContact CA-O 3.45Å; H57-F60 PolarHBondContact N-O 2.98Å; H57-F60 WeakPolarHBondContact O-CB 3.48Å; H57-F60 PolarHBondContact O-N 2.86Å; R58-F60 VanDerWaalsContact C-N 3.25Å; R58-F60 HydrophobicContact CB-CD2 4.47Å; R58-F60 PolarHBondContact O-N 3.28Å; F60-L62 HydrophobicContact CB-CD2 4.16Å; F60-L173 HydrophobicContact CB-CD2 4.25Å; F60-L173 HydrophobicContact CD2-CD1 4.07Å; F60-L173 HydrophobicContact CD2-CD2 3.83Å; F60-L173 HydrophobicContact CD2-CG 4.46Å; F60-L173 HydrophobicContact CE2-CD2 4.3Å; F60-L173 HydrophobicContact CG-CD2 3.98Å; F60-S177 WeakPolarHBondContact CZ-OG 3.47Å; F60-F181 AromaticContact CE1-CE2 3.61Å; F60-F181 HydrophobicContact CE1-CE2 3.61Å; F60-F181 HydrophobicContact CE1-CZ 4.11Å; F60-F181 AromaticContact CZ-CE2 3.98Å; F60-F181 HydrophobicContact CZ-CE2 3.98Å
61K95.5Very high96.1Very high81 Ų8152 Ų5235%0.35226%0.259SS..EExtended strand (participates in β ladder)trans-96.7113.6164.5-71.2178-169.2172.60108.7R15 E16 L17 T54 L55 E56R15-K61 PolarHBondContact O-N 3.04Å; E16-K61 WeakPolarHBondContact CA-O 3.34Å; E16-K61 HydrophobicContact CG-CB 3.69Å; E16-K61 HydrophobicContact CG-CD 3.74Å; E16-K61 HydrophobicContact CG-CG 4.33Å; E16-K61 VanDerWaalsContact OE1-CD 3.3Å; E16-K61 WeakPolarHBondContact OE1-CD 3.5Å; E16-K61 IonicContact OE1-NZ 3.8Å; E16-K61 PolarHBondContact OE1-NZ 3.46Å; L17-K61 PolarHBondContact N-O 2.73Å; T54-K61 HydrophobicContact CG2-CB 4.45Å; L55-K61 CarbonylContact O-C 3.55Å; L55-K61 WeakPolarHBondContact O-CA 3.41Å; E56-K61 HydrophobicContact CG-CG 4.25Å
62L96.8Very high96.2Very high5 Ų553 Ų533%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-97.5105.1-177.4-59.3-179.4000109.6L17 L19 T54 L55 H57 F60 I64 I169 L173L17-L62 HydrophobicContact CB-CD2 4.02Å; L17-L62 HydrophobicContact CD1-CD2 4.08Å; L19-L62 HydrophobicContact CD1-CB 4.33Å; L19-L62 HydrophobicContact CD1-CD1 4.32Å; L19-L62 HydrophobicContact CD1-CD2 3.95Å; L19-L62 HydrophobicContact CD1-CG 4.44Å; L19-L62 HydrophobicContact CG-CD2 4.45Å; T54-L62 CarbonylContact C-O 3.59Å; T54-L62 VanDerWaalsContact CA-O 3.31Å; T54-L62 WeakPolarHBondContact CA-O 3.49Å; L55-L62 HydrophobicContact CB-CB 4.38Å; L55-L62 PolarHBondContact N-O 3.12Å; L55-L62 PolarHBondContact O-N 2.82Å; H57-L62 HydrophobicContact CB-CD1 4.06Å; F60-L62 HydrophobicContact CB-CD2 4.16Å; L62-I64 HydrophobicContact CB-CD1 4.48Å; L62-I64 HydrophobicContact CB-CG1 4.16Å; L62-I64 PolarHBondContact O-N 3.07Å; L62-I169 HydrophobicContact CD1-CG2 4.01Å; L62-L173 HydrophobicContact CD2-CD2 3.67Å
63N97.4Very high96.1Very high38 Ų3851 Ų5120%0.20326%0.261CS..EExtended strand (participates in β ladder)trans-86.794.8172.8-64.7-51.2000108.9L17 L19 T54L17-N63 PolarHBondContact O-N 2.98Å; L19-N63 PolarHBondContact N-O 2.89Å; T54-N63 WeakPolarHBondContact CG2-OD1 3.31Å; T54-N63 PolarHBondContact OG1-OD1 2.56Å
64I98.3Very high96.2Very high1 Ų148.4 Ų48.41%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-94.7123.7-175-49.6-171.7000110.3L19 M21 L33 I52 K53 L55 L62L19-I64 HydrophobicContact CB-CG1 4.24Å; L19-I64 HydrophobicContact CD1-CD1 4.4Å; L19-I64 HydrophobicContact CD1-CG1 4.24Å; L19-I64 CarbonylContact O-C 3.51Å; L19-I64 WeakPolarHBondContact O-CA 3.35Å; M21-I64 HydrophobicContact CB-CG2 4.41Å; M21-I64 HydrophobicContact CE-CG2 3.97Å; L33-I64 HydrophobicContact CD1-CB 3.88Å; L33-I64 HydrophobicContact CD1-CD1 4.23Å; L33-I64 HydrophobicContact CD1-CG2 3.84Å; I52-I64 WeakPolarHBondContact CA-O 3.34Å; K53-I64 PolarHBondContact N-O 3.38Å; K53-I64 PolarHBondContact O-N 3.43Å; L55-I64 HydrophobicContact CD1-CD1 3.73Å; L62-I64 HydrophobicContact CB-CD1 4.48Å; L62-I64 HydrophobicContact CB-CG1 4.16Å; L62-I64 PolarHBondContact O-N 3.07Å
65W98.4Very high96.2Very high57 Ų5747.9 Ų47.922%0.21625%0.249CC..EExtended strand (participates in β ladder)trans-103.2105.8175.3-68.465.9000109.5L19 L20 M21 F50 N51 I52 Y80L19-W65 PolarHBondContact O-N 2.74Å; L20-W65 HydrophobicContact CD1-CB 3.92Å; M21-W65 PolarHBondContact N-O 3.44Å; F50-W65 AromaticContact CD2-CE3 3.96Å; F50-W65 HydrophobicContact CD2-CE3 3.96Å; F50-W65 HydrophobicContact CD2-CZ3 4Å; F50-W65 HydrophobicContact CE2-CE3 4.29Å; F50-W65 AromaticContact CE2-CZ3 3.87Å; F50-W65 HydrophobicContact CE2-CZ3 3.87Å; F50-W65 HydrophobicContact CZ-CZ3 4.46Å; N51-W65 WeakPolarHBondContact O-CA 3.36Å; I52-W65 HydrophobicContact CD1-CD2 3.91Å; I52-W65 HydrophobicContact CD1-CE3 3.87Å; I52-W65 HydrophobicContact CD1-CH2 3.47Å; I52-W65 VanDerWaalsContact CD1-CH2 3.47Å; I52-W65 HydrophobicContact CD1-CZ2 3.48Å; I52-W65 VanDerWaalsContact CD1-CZ2 3.48Å; I52-W65 HydrophobicContact CD1-CZ3 3.66Å; I52-W65 HydrophobicContact CG1-CD2 3.85Å; I52-W65 HydrophobicContact CG1-CE3 3.94Å; I52-W65 HydrophobicContact CG1-CG 4.36Å; I52-W65 HydrophobicContact CG1-CH2 4.42Å; I52-W65 HydrophobicContact CG1-CZ2 4.33Å; I52-W65 HydrophobicContact CG1-CZ3 4.22Å; W65-Y80 AromaticContact CE3-CD1 3.64Å; W65-Y80 HydrophobicContact CE3-CD1 3.64Å; W65-Y80 HydrophobicContact CE3-CE1 4.16Å; W65-Y80 AromaticContact CZ3-CD1 3.64Å; W65-Y80 HydrophobicContact CZ3-CD1 3.64Å; W65-Y80 AromaticContact CZ3-CE1 3.94Å; W65-Y80 HydrophobicContact CZ3-CE1 3.94Å
66D98Very high96.3Very high0 Ų053 Ų530%027%0.268CS..EExtended strand (participates in β ladder)trans-91.3118.1172.2162.847.7000109.3K29 T30 L33 F50 N51K29-D66 WeakPolarHBondContact CB-OD1 3.2Å; T30-D66 WeakPolarHBondContact CA-OD2 3.49Å; T30-D66 WeakPolarHBondContact CB-OD2 3.4Å; T30-D66 PolarHBondContact OG1-OD1 2.9Å; T30-D66 PolarHBondContact OG1-OD2 2.73Å; L33-D66 HydrophobicContact CD2-CB 3.61Å; F50-D66 CarbonylContact C-O 3.52Å; F50-D66 WeakPolarHBondContact CA-O 3.18Å; F50-D66 WeakPolarHBondContact CB-O 3.28Å; N51-D66 HydrophobicContact CB-CB 4.3Å; N51-D66 PolarHBondContact N-O 3.34Å; N51-D66 PolarHBondContact ND2-OD2 3.38Å; N51-D66 PolarHBondContact O-N 2.83Å
67V98.3Very high96.4Very high5 Ų545.7 Ų45.73%0.0323%0.234CC..EExtended strand (participates in β ladder)trans-114.9140.8-175.5-171.40000110.9L20 M21 L22 K29 F50 G69 Y80L20-V67 HydrophobicContact CD1-CG2 3.87Å; M21-V67 PolarHBondContact O-N 3.01Å; L22-V67 HydrophobicContact CD2-CB 3.71Å; L22-V67 HydrophobicContact CD2-CG1 4.43Å; L22-V67 HydrophobicContact CD2-CG2 4.05Å; K29-V67 WeakPolarHBondContact CE-O 3.36Å; F50-V67 HydrophobicContact CB-CG2 4.14Å; V67-G69 PolarHBondContact O-N 2.65Å; V67-Y80 HydrophobicContact CG1-CD2 3.94Å; V67-Y80 HydrophobicContact CG1-CE2 3.77Å; V67-Y80 HydrophobicContact CG2-CD2 3.93Å; V67-Y80 HydrophobicContact CG2-CE2 4.33Å; V67-Y80 HydrophobicContact CG2-CG 4.11Å
68G97.6Very high96.5Very high3 Ų350.2 Ų50.23%0.03125%0.249CC..  trans-52.1134.1176.900000113.2T47 G49 W77T47-G68 VanDerWaalsContact O-CA 3.25Å; T47-G68 WeakPolarHBondContact O-CA 3.4Å; G49-G68 PolarHBondContact O-N 3.15Å; G68-W77 PolarHBondContact O-NE1 3.1Å
69G97.6Very high96.7Very high4 Ų449.4 Ų49.44%0.04125%0.253CS..  trans-101.5-0.2-175.700000115.6G23 D25 V67 K71 R74G23-G69 WeakPolarHBondContact O-CA 3.46Å; D25-G69 PolarHBondContact N-O 3.41Å; D25-G69 VanDerWaalsContact N-O 3.12Å; V67-G69 PolarHBondContact O-N 2.65Å; G69-K71 PolarHBondContact O-N 2.83Å; G69-R74 PolarHBondContact O-NE 3.07Å
70Q97.1Very high97Very high57 Ų5748.7 Ų48.727%0.26623%0.233SC..  trans-60.4139.8-178.4-69-176.5-6.400109.7D25 S72 L73 R74D25-Q70 HydrophobicContact CB-CG 4.07Å; Q70-S72 PolarHBondContact O-N 2.9Å; Q70-S72 VanDerWaalsContact O-N 3.12Å; Q70-L73 HydrophobicContact CB-CD1 4.02Å; Q70-L73 HydrophobicContact CB-CG 4.18Å; Q70-L73 HydrophobicContact CG-CD1 4.49Å; Q70-L73 WeakPolarHBondContact O-CA 3.2Å; Q70-L73 WeakPolarHBondContact O-CB 3.14Å; Q70-L73 PolarHBondContact O-N 3.24Å; Q70-R74 WeakPolarHBondContact O-CG 3.4Å; Q70-R74 PolarHBondContact O-N 2.95Å
71K96.8Very high97.2Very high147 Ų14748.6 Ų48.664%0.63923%0.233SC*.G310 helixtrans-52-39.5-175.3-169.1171.2-176.1171.60114G69 L73 R74G69-K71 PolarHBondContact O-N 2.83Å; K71-L73 PolarHBondContact O-N 2.83Å; K71-R74 PolarHBondContact O-N 3.19Å
72S96.5Very high97.1Very high86 Ų8650.3 Ų50.360%0.60124%0.242SC*.G310 helixtrans-64.9-19176.449.60000114.2Q70Q70-S72 PolarHBondContact O-N 2.9Å; Q70-S72 VanDerWaalsContact O-N 3.12Å
73L94.6Very high96.9Very high34 Ų3454 Ų5418%0.17827%0.269CS..G310 helixtrans-102.5-14.9-175.8-57.7176.7000113.6L48 Q70 K71 S75 Y76L48-L73 WeakPolarHBondContact O-CD1 3.41Å; Q70-L73 HydrophobicContact CB-CD1 4.02Å; Q70-L73 HydrophobicContact CB-CG 4.18Å; Q70-L73 HydrophobicContact CG-CD1 4.49Å; Q70-L73 WeakPolarHBondContact O-CA 3.2Å; Q70-L73 WeakPolarHBondContact O-CB 3.14Å; Q70-L73 PolarHBondContact O-N 3.24Å; K71-L73 PolarHBondContact O-N 2.83Å; L73-S75 PolarHBondContact O-N 3.17Å; L73-Y76 WeakPolarHBondContact O-CB 3.12Å; L73-Y76 WeakPolarHBondContact O-CD2 3.33Å; L73-Y76 PolarHBondContact O-N 3.31Å
74R97.6Very high96.9Very high18 Ų1852.9 Ų52.97%0.06826%0.263CS..G310 helixtrans-62-29-173.4-58-178.2-167.6161.81.6113.2D25 G69 Q70 K71 Y76 W77 D101 E105D25-R74 IonicContact OD1-NH2 3.32Å; D25-R74 PolarHBondContact OD1-NH2 2.88Å; G69-R74 PolarHBondContact O-NE 3.07Å; Q70-R74 WeakPolarHBondContact O-CG 3.4Å; Q70-R74 PolarHBondContact O-N 2.95Å; K71-R74 PolarHBondContact O-N 3.19Å; R74-Y76 PolarHBondContact O-N 3.29Å; R74-Y76 VanDerWaalsContact O-N 3.11Å; R74-W77 HydrophobicContact CB-CD2 4.13Å; R74-W77 HydrophobicContact CB-CE3 4.29Å; R74-W77 HydrophobicContact CB-CH2 4.47Å; R74-W77 HydrophobicContact CB-CZ2 4.31Å; R74-W77 HydrophobicContact CB-CZ3 4.45Å; R74-W77 HydrophobicContact CG-CD2 4.43Å; R74-W77 HydrophobicContact CG-CH2 3.98Å; R74-W77 HydrophobicContact CG-CZ2 3.72Å; R74-W77 HydrophobicContact CG-CZ3 4.43Å; R74-W77 VanDerWaalsContact O-CB 3.3Å; R74-W77 WeakPolarHBondContact O-CB 3.4Å; R74-W77 PolarHBondContact O-N 3.17Å; R74-D101 IonicContact CZ-OD2 3.39Å; R74-D101 IonicContact NH1-OD1 2.82Å; R74-D101 IonicContact NH1-OD2 3.54Å; R74-D101 PolarHBondContact NH1-OD2 2.93Å; R74-D101 IonicContact NH2-OD2 3.93Å; R74-D101 PolarHBondContact NH2-OD2 3.39Å; R74-E105 WeakPolarHBondContact CD-OE1 3.25Å; R74-E105 IonicContact CZ-OE1 3.75Å; R74-E105 IonicContact NE-OE1 3.89Å; R74-E105 IonicContact NH1-OE1 2.56Å; R74-E105 PolarHBondContact NH1-OE1 3.45Å
75S96.4Very high96.8Very high70 Ų7053.6 Ų53.649%0.4927%0.267SS..G310 helixtrans-62.3-17175.261.90000114L73 R78L73-S75 PolarHBondContact O-N 3.17Å; S75-R78 WeakPolarHBondContact O-CG 3.48Å; S75-R78 PolarHBondContact O-NE 2.79Å
76Y96.6Very high96.8Very high128 Ų12850.9 Ų50.950%0.50226%0.256SS..G310 helixtrans-92.8-9.1175.9-58.2-77.1000113.5L73 R74 R78 N79 Y80L73-Y76 WeakPolarHBondContact O-CB 3.12Å; L73-Y76 WeakPolarHBondContact O-CD2 3.33Å; L73-Y76 PolarHBondContact O-N 3.31Å; R74-Y76 PolarHBondContact O-N 3.29Å; R74-Y76 VanDerWaalsContact O-N 3.11Å; Y76-R78 PolarHBondContact O-N 2.85Å; Y76-R78 VanDerWaalsContact O-N 3.16Å; Y76-N79 VanDerWaalsContact O-CB 3.28Å; Y76-N79 WeakPolarHBondContact O-CB 3.45Å; Y76-N79 PolarHBondContact O-N 2.79Å; Y76-N79 PolarHBondContact O-ND2 3.01Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.32Å; Y76-Y80 WeakPolarHBondContact O-CE2 3.11Å
77W98.3Very high96.8Very high5 Ų551 Ų512%0.01926%0.257CS..G310 helixtrans-54-37.9177.6-72.7-7.5000112.3L22 G23 G68 R74 N79 Y80 F81 W89 E105 L109L22-W77 HydrophobicContact CD1-CB 4.39Å; L22-W77 HydrophobicContact CD1-CD2 4.19Å; L22-W77 HydrophobicContact CD1-CE3 4.22Å; L22-W77 HydrophobicContact CD1-CG 4.32Å; L22-W77 HydrophobicContact CD2-CD2 4.05Å; L22-W77 HydrophobicContact CD2-CG 3.94Å; G23-W77 WeakPolarHBondContact O-CZ2 3.39Å; G68-W77 PolarHBondContact O-NE1 3.1Å; R74-W77 HydrophobicContact CB-CD2 4.13Å; R74-W77 HydrophobicContact CB-CE3 4.29Å; R74-W77 HydrophobicContact CB-CH2 4.47Å; R74-W77 HydrophobicContact CB-CZ2 4.31Å; R74-W77 HydrophobicContact CB-CZ3 4.45Å; R74-W77 HydrophobicContact CG-CD2 4.43Å; R74-W77 HydrophobicContact CG-CH2 3.98Å; R74-W77 HydrophobicContact CG-CZ2 3.72Å; R74-W77 HydrophobicContact CG-CZ3 4.43Å; R74-W77 VanDerWaalsContact O-CB 3.3Å; R74-W77 WeakPolarHBondContact O-CB 3.4Å; R74-W77 PolarHBondContact O-N 3.17Å; W77-N79 PolarHBondContact O-N 3.2Å; W77-Y80 WeakPolarHBondContact O-CD2 3.34Å; W77-Y80 PolarHBondContact O-N 3.32Å; W77-F81 VanDerWaalsContact C-CE1 3.4Å; W77-F81 HydrophobicContact CB-CE1 3.85Å; W77-F81 HydrophobicContact CB-CZ 3.99Å; W77-F81 VanDerWaalsContact O-CD1 3.32Å; W77-F81 WeakPolarHBondContact O-CD1 3.32Å; W77-F81 WeakPolarHBondContact O-CE1 3.35Å; W77-W89 AromaticContact CH2-CH2 3.84Å; W77-W89 HydrophobicContact CH2-CH2 3.84Å; W77-W89 AromaticContact CH2-CZ3 3.86Å; W77-W89 HydrophobicContact CH2-CZ3 3.86Å; W77-W89 HydrophobicContact CZ3-CH2 4.02Å; W77-W89 AromaticContact CZ3-CZ3 3.91Å; W77-W89 HydrophobicContact CZ3-CZ3 3.91Å; W77-E105 HydrophobicContact CZ3-CB 4.3Å; W77-L109 HydrophobicContact CE3-CD1 4.39Å; W77-L109 HydrophobicContact CE3-CD2 4.11Å; W77-L109 HydrophobicContact CZ3-CD1 4.25Å
78R97.2Very high96.9Very high140 Ų14050.8 Ų50.853%0.52826%0.256SS..G310 helixtrans-57.6-16.9177.669.2-175.4170.6116.90.2115.3S75 Y76 Y80 F81 R114S75-R78 WeakPolarHBondContact O-CG 3.48Å; S75-R78 PolarHBondContact O-NE 2.79Å; Y76-R78 PolarHBondContact O-N 2.85Å; Y76-R78 VanDerWaalsContact O-N 3.16Å; R78-Y80 PolarHBondContact O-N 2.91Å; R78-F81 VanDerWaalsContact CA-CE2 3.42Å; R78-F81 HydrophobicContact CB-CD2 4.11Å; R78-F81 HydrophobicContact CB-CE2 3.72Å; R78-F81 HydrophobicContact CB-CZ 4.16Å; R78-R114 PolarHBondContact O-NH1 3.25Å
79N97.1Very high96.9Very high97 Ų9750.7 Ų50.752%0.51926%0.255SS..G310 helixtrans-75.3-11.2175.5-60.3-20.6000112.2Y76 W77Y76-N79 VanDerWaalsContact O-CB 3.28Å; Y76-N79 WeakPolarHBondContact O-CB 3.45Å; Y76-N79 PolarHBondContact O-N 2.79Å; Y76-N79 PolarHBondContact O-ND2 3.01Å; W77-N79 PolarHBondContact O-N 3.2Å
80Y97.6Very high97Very high39 Ų3950.5 Ų50.515%0.15325%0.253CS..G310 helixtrans-117.45.1-173.6-50.6-76.4000113.7R18 F50 W65 V67 Y76 W77 R78R18-Y80 VanDerWaalsContact CZ-O 3.26Å; R18-Y80 PolarHBondContact NH1-O 3.03Å; R18-Y80 PolarHBondContact NH2-O 3.41Å; F50-Y80 HydrophobicContact CB-CE1 4.43Å; F50-Y80 AromaticContact CD1-CE1 3.71Å; F50-Y80 HydrophobicContact CD1-CE1 3.71Å; F50-Y80 AromaticContact CD1-CZ 3.7Å; F50-Y80 WeakPolarHBondContact CD1-OH 3.26Å; F50-Y80 HydrophobicContact CE1-CE1 4.06Å; F50-Y80 AromaticContact CG-CE1 3.96Å; F50-Y80 HydrophobicContact CG-CE1 3.96Å; W65-Y80 AromaticContact CE3-CD1 3.64Å; W65-Y80 HydrophobicContact CE3-CD1 3.64Å; W65-Y80 HydrophobicContact CE3-CE1 4.16Å; W65-Y80 AromaticContact CZ3-CD1 3.64Å; W65-Y80 HydrophobicContact CZ3-CD1 3.64Å; W65-Y80 AromaticContact CZ3-CE1 3.94Å; W65-Y80 HydrophobicContact CZ3-CE1 3.94Å; V67-Y80 HydrophobicContact CG1-CD2 3.94Å; V67-Y80 HydrophobicContact CG1-CE2 3.77Å; V67-Y80 HydrophobicContact CG2-CD2 3.93Å; V67-Y80 HydrophobicContact CG2-CE2 4.33Å; V67-Y80 HydrophobicContact CG2-CG 4.11Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.32Å; Y76-Y80 WeakPolarHBondContact O-CE2 3.11Å; W77-Y80 WeakPolarHBondContact O-CD2 3.34Å; W77-Y80 PolarHBondContact O-N 3.32Å; R78-Y80 PolarHBondContact O-N 2.91Å
81F98Very high97.1Very high5 Ų548 Ų482%0.02224%0.241CC..  trans-73.6-32.1-176.2-64.3-12.5000113.4L20 L22 W77 R78 S83 T84 L109 E112 R114 L115L20-F81 HydrophobicContact CD2-CD1 3.78Å; L20-F81 HydrophobicContact CD2-CE1 4.3Å; L22-F81 HydrophobicContact CD1-CE1 4Å; W77-F81 VanDerWaalsContact C-CE1 3.4Å; W77-F81 HydrophobicContact CB-CE1 3.85Å; W77-F81 HydrophobicContact CB-CZ 3.99Å; W77-F81 VanDerWaalsContact O-CD1 3.32Å; W77-F81 WeakPolarHBondContact O-CD1 3.32Å; W77-F81 WeakPolarHBondContact O-CE1 3.35Å; R78-F81 VanDerWaalsContact CA-CE2 3.42Å; R78-F81 HydrophobicContact CB-CD2 4.11Å; R78-F81 HydrophobicContact CB-CE2 3.72Å; R78-F81 HydrophobicContact CB-CZ 4.16Å; F81-S83 PolarHBondContact O-N 2.85Å; F81-T84 WeakPolarHBondContact O-CB 3.23Å; F81-T84 PolarHBondContact O-N 2.85Å; F81-T84 PolarHBondContact O-OG1 3.27Å; F81-L109 HydrophobicContact CE1-CD2 3.65Å; F81-L109 HydrophobicContact CE2-CD2 4.22Å; F81-L109 HydrophobicContact CZ-CD2 3.3Å; F81-E112 HydrophobicContact CD2-CB 4.11Å; F81-E112 HydrophobicContact CD2-CG 3.99Å; F81-E112 HydrophobicContact CE2-CB 4.15Å; F81-E112 HydrophobicContact CE2-CG 3.55Å; F81-E112 HydrophobicContact CZ-CG 4.47Å; F81-R114 HydrophobicContact CB-CB 3.8Å; F81-L115 HydrophobicContact CB-CD2 4Å; F81-L115 HydrophobicContact CB-CG 4Å; F81-L115 HydrophobicContact CD1-CD1 3.89Å; F81-L115 HydrophobicContact CD1-CD2 4.11Å; F81-L115 HydrophobicContact CD1-CG 4.14Å; F81-L115 HydrophobicContact CD2-CD1 4.16Å; F81-L115 HydrophobicContact CD2-CG 4.26Å; F81-L115 HydrophobicContact CE1-CD1 4.03Å; F81-L115 HydrophobicContact CE2-CD1 4.32Å; F81-L115 HydrophobicContact CG-CD1 3.98Å; F81-L115 HydrophobicContact CG-CD2 4.14Å; F81-L115 HydrophobicContact CG-CG 3.89Å; F81-L115 HydrophobicContact CZ-CD1 4.26Å
82E93.7Very high97.2Very high118 Ų11841.8 Ų41.855%0.55122%0.215SC*.THydrogen-bonded Turntrans-56.8137.2-173.5-15862.3-144.900112.3R18 T84 R114R18-E82 PolarHBondContact NH1-O 3.02Å; E82-T84 VanDerWaalsContact C-N 3.26Å; E82-T84 PolarHBondContact O-N 2.66Å; E82-R114 VanDerWaalsContact OE2-CD 3.25Å; E82-R114 WeakPolarHBondContact OE2-CD 3.47Å; E82-R114 WeakPolarHBondContact OE2-CG 3.34Å
83S92.4Very high97.3Very high83 Ų8337.7 Ų37.758%0.5819%0.187SC*.THydrogen-bonded Turntrans5929.7176.9-54.10000114.7R18 F81R18-S83 WeakPolarHBondContact CB-O 3.47Å; R18-S83 VanDerWaalsContact CD-O 3.32Å; R18-S83 WeakPolarHBondContact CD-O 3.43Å; F81-S83 PolarHBondContact O-N 2.85Å
84T96.6Very high97.5Very high14 Ų1437.8 Ų37.89%0.08619%0.192CC..  trans-79.3121.1175.6-58.10000111.1R18 L20 F81 E82 G86 L115 A118R18-T84 PolarHBondContact NH1-OG1 3.33Å; L20-T84 HydrophobicContact CB-CG2 3.69Å; F81-T84 WeakPolarHBondContact O-CB 3.23Å; F81-T84 PolarHBondContact O-N 2.85Å; F81-T84 PolarHBondContact O-OG1 3.27Å; E82-T84 VanDerWaalsContact C-N 3.26Å; E82-T84 PolarHBondContact O-N 2.66Å; T84-G86 VanDerWaalsContact CG2-O 3.23Å; T84-G86 WeakPolarHBondContact CG2-O 3.32Å; T84-L115 HydrophobicContact CG2-CD2 4.08Å; T84-A118 HydrophobicContact CG2-CB 4.24Å
85D96.9Very high97.5Very high15 Ų1538.5 Ų38.58%0.0820%0.197CC..SBendtrans-85.3-35.1175-68.9-56.9000112.5K11 L17 R18 A118 T119 I176 R179K11-D85 WeakPolarHBondContact CE-OD2 3.26Å; K11-D85 IonicContact NZ-OD1 3.06Å; K11-D85 PolarHBondContact NZ-OD1 2.85Å; K11-D85 IonicContact NZ-OD2 2.69Å; K11-D85 PolarHBondContact NZ-OD2 3.22Å; L17-D85 HydrophobicContact CD2-CB 4.2Å; R18-D85 PolarHBondContact N-OD2 3.22Å; R18-D85 PolarHBondContact O-N 3.18Å; D85-A118 WeakPolarHBondContact O-CA 3.38Å; D85-T119 PolarHBondContact O-N 3.4Å; D85-T119 VanDerWaalsContact O-N 3.12Å; D85-I176 HydrophobicContact CB-CD1 4.29Å; D85-I176 HydrophobicContact CB-CG2 4.44Å; D85-R179 PolarHBondContact O-NH2 3.39Å
86G98.3Very high97.6Very high0 Ų039.9 Ų39.90%020%0.196CC..EExtended strand (participates in β ladder)trans-142.8134.2178.100000111.6R18 L19 L20 T84 T119R18-G86 PolarHBondContact O-N 3.07Å; L19-G86 WeakPolarHBondContact CA-O 3.38Å; L20-G86 PolarHBondContact N-O 3.36Å; T84-G86 VanDerWaalsContact CG2-O 3.23Å; T84-G86 WeakPolarHBondContact CG2-O 3.32Å; G86-T119 CarbonylContact C-O 3.58Å; G86-T119 WeakPolarHBondContact CA-O 3.4Å
87L98.8Very high97.7Very high4 Ų442.8 Ų42.82%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-100.5120.8172.4176.562.2000108.7L20 L22 L109 L115 T119 L120 L121L20-L87 HydrophobicContact CB-CD1 4.43Å; L20-L87 HydrophobicContact CD2-CD1 4.34Å; L20-L87 HydrophobicContact CG-CD1 4.34Å; L20-L87 CarbonylContact O-C 3.55Å; L20-L87 WeakPolarHBondContact O-CA 3.39Å; L22-L87 HydrophobicContact CB-CD1 4.33Å; L22-L87 HydrophobicContact CD1-CD1 4.01Å; L22-L87 HydrophobicContact CG-CD1 4.18Å; L87-L109 HydrophobicContact CD2-CB 4.46Å; L87-L109 HydrophobicContact CD2-CD1 4.42Å; L87-L115 HydrophobicContact CD2-CD1 4.36Å; L87-T119 PolarHBondContact N-O 3.49Å; L87-L120 HydrophobicContact CB-CD1 4.39Å; L87-L120 HydrophobicContact CD2-CD1 4.01Å; L87-L120 HydrophobicContact CG-CD1 4.04Å; L87-L120 CarbonylContact O-C 3.49Å; L87-L120 WeakPolarHBondContact O-CA 3.46Å; L87-L121 PolarHBondContact O-N 3.4Å
88I98.9Very high97.7Very high0 Ų045.4 Ų45.40%022%0.224CC..EExtended strand (participates in β ladder)trans-100.9113.1172.3-57.2174.7000107.8L19 L20 M21 L22 V90 L121 F123 I169 L172L19-I88 HydrophobicContact CB-CD1 4.45Å; L19-I88 HydrophobicContact CD1-CD1 4.3Å; L20-I88 PolarHBondContact O-N 3.44Å; M21-I88 CarbonylContact C-O 3.6Å; M21-I88 WeakPolarHBondContact CA-O 3.32Å; M21-I88 HydrophobicContact CB-CB 4.31Å; M21-I88 HydrophobicContact CE-CD1 4.01Å; M21-I88 HydrophobicContact CE-CG2 4.37Å; M21-I88 HydrophobicContact CG-CB 4.12Å; M21-I88 HydrophobicContact CG-CG2 4.07Å; L22-I88 PolarHBondContact N-O 2.97Å; I88-V90 HydrophobicContact CG2-CG2 4.05Å; I88-L121 CarbonylContact C-O 3.59Å; I88-L121 WeakPolarHBondContact CA-O 3.34Å; I88-L121 HydrophobicContact CG1-CB 4.44Å; I88-L121 HydrophobicContact CG1-CD2 4.37Å; I88-F123 HydrophobicContact CG2-CD2 3.49Å; I88-F123 VanDerWaalsContact CG2-CD2 3.49Å; I88-F123 HydrophobicContact CG2-CE2 3.87Å; I88-I169 HydrophobicContact CD1-CD1 3.84Å; I88-L172 HydrophobicContact CD1-CD2 4.11Å; I88-L172 HydrophobicContact CG1-CD2 3.88Å
89W98.9Very high97.8Very high0 Ų039.4 Ų39.40%020%0.202CC..EExtended strand (participates in β ladder)trans-99.2113.9175-174.1-109.8000110.3L22 G23 L24 W77 C102 E105 L106 L109 L120 L121 I122 F123L22-W89 HydrophobicContact CB-CE3 3.89Å; L22-W89 HydrophobicContact CB-CZ3 3.87Å; L22-W89 WeakPolarHBondContact O-CA 3.33Å; G23-W89 VanDerWaalsContact CA-CZ3 3.49Å; G23-W89 VanDerWaalsContact N-CZ3 3.29Å; L24-W89 HydrophobicContact CD2-CH2 4.48Å; W77-W89 AromaticContact CH2-CH2 3.84Å; W77-W89 HydrophobicContact CH2-CH2 3.84Å; W77-W89 AromaticContact CH2-CZ3 3.86Å; W77-W89 HydrophobicContact CH2-CZ3 3.86Å; W77-W89 HydrophobicContact CZ3-CH2 4.02Å; W77-W89 AromaticContact CZ3-CZ3 3.91Å; W77-W89 HydrophobicContact CZ3-CZ3 3.91Å; W89-C102 WeakPolarHBondContact CZ2-O 3.33Å; W89-C102 PolarHBondContact NE1-SG 3.37Å; W89-E105 HydrophobicContact CH2-CB 3.69Å; W89-E105 HydrophobicContact CZ2-CB 4.12Å; W89-L106 HydrophobicContact CB-CD1 4.2Å; W89-L106 HydrophobicContact CD2-CB 4.34Å; W89-L106 HydrophobicContact CD2-CD1 4Å; W89-L106 HydrophobicContact CE3-CD1 4.47Å; W89-L106 HydrophobicContact CG-CD1 3.86Å; W89-L106 HydrophobicContact CZ2-CB 4.1Å; W89-L109 HydrophobicContact CE3-CD1 3.77Å; W89-L109 HydrophobicContact CH2-CD1 4.32Å; W89-L109 HydrophobicContact CZ3-CD1 3.43Å; W89-L109 VanDerWaalsContact CZ3-CD1 3.43Å; W89-L120 HydrophobicContact CB-CD1 3.95Å; W89-L121 PolarHBondContact N-O 3.01Å; W89-I122 CarbonylContact O-C 3.42Å; W89-I122 WeakPolarHBondContact O-CA 3.39Å; W89-F123 PolarHBondContact O-N 3.15Å
90V98.9Very high97.8Very high0 Ų041.9 Ų41.90%021%0.21CC..EExtended strand (participates in β ladder)trans-100127.4-177.7-170.20000110.2M21 L22 G23 A27 K29 I32 I88 F123 N125M21-V90 HydrophobicContact CG-CG2 3.79Å; M21-V90 HydrophobicContact SD-CG2 4.07Å; L22-V90 PolarHBondContact O-N 3.45Å; G23-V90 WeakPolarHBondContact CA-O 3.18Å; A27-V90 HydrophobicContact CB-CB 4.22Å; A27-V90 HydrophobicContact CB-CG1 4.01Å; A27-V90 VanDerWaalsContact CB-O 3.29Å; A27-V90 WeakPolarHBondContact CB-O 3.38Å; A27-V90 VanDerWaalsContact O-CG1 3.31Å; A27-V90 WeakPolarHBondContact O-CG1 3.48Å; K29-V90 HydrophobicContact CG-CB 3.8Å; K29-V90 HydrophobicContact CG-CG1 4.41Å; K29-V90 HydrophobicContact CG-CG2 3.78Å; I32-V90 HydrophobicContact CD1-CG1 3.69Å; I32-V90 HydrophobicContact CD1-CG2 3.94Å; I88-V90 HydrophobicContact CG2-CG2 4.05Å; V90-F123 HydrophobicContact CG1-CB 4.4Å; V90-F123 HydrophobicContact CG2-CB 4.43Å; V90-N125 HydrophobicContact CG1-CB 3.87Å
91V98.9Very high97.9Very high4 Ų441.1 Ų41.12%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-115.7132.1-177.9-174.40000109S93 M99 I122 F123 N125 I138 L142V91-S93 PolarHBondContact O-N 2.85Å; V91-M99 HydrophobicContact CG1-CE 3.91Å; V91-M99 HydrophobicContact CG1-SD 4.13Å; V91-I122 HydrophobicContact CG2-CG2 3.86Å; V91-F123 PolarHBondContact N-O 3.32Å; V91-N125 WeakPolarHBondContact O-CA 3.43Å; V91-N125 WeakPolarHBondContact O-CB 3.36Å; V91-N125 PolarHBondContact O-N 2.79Å; V91-I138 HydrophobicContact CG1-CD1 4.45Å; V91-I138 HydrophobicContact CG1-CG2 4.2Å; V91-I138 HydrophobicContact CG2-CG2 4.47Å; V91-L142 HydrophobicContact CG2-CD1 3.92Å
92D98.8Very high97.9Very high18 Ų1841.2 Ų41.210%0.09621%0.21CC..EExtended strand (participates in β ladder)trans-77.2107.7165.5-172.9-19.8000108.9A94 D95 K126D92-A94 PolarHBondContact O-N 2.91Å; D92-A94 PolarHBondContact OD1-N 3.26Å; D92-D95 HydrophobicContact CB-CB 3.78Å; D92-D95 PolarHBondContact O-N 3.12Å; D92-D95 PolarHBondContact OD1-N 2.69Å; D92-K126 WeakPolarHBondContact OD1-CD 3.49Å; D92-K126 IonicContact OD1-NZ 3.8Å; D92-K126 VanDerWaalsContact OD2-CE 3.27Å; D92-K126 WeakPolarHBondContact OD2-CE 3.45Å; D92-K126 IonicContact OD2-NZ 3.75Å; D92-K126 PolarHBondContact OD2-NZ 3.46Å
93S98.9Very high98.2Very high0 Ų037 Ų370%019%0.19CC..THydrogen-bonded Turntrans-69.4-19.4-176.8-51.70000112.9V91 A124 N125 Q127 A132 L133 I138V91-S93 PolarHBondContact O-N 2.85Å; S93-A124 PolarHBondContact OG-O 2.91Å; S93-N125 WeakPolarHBondContact CB-O 3.37Å; S93-N125 PolarHBondContact N-O 2.84Å; S93-N125 PolarHBondContact OG-N 2.92Å; S93-N125 PolarHBondContact OG-O 2.86Å; S93-Q127 PolarHBondContact OG-NE2 3.39Å; S93-A132 WeakPolarHBondContact O-CA 3.29Å; S93-L133 PolarHBondContact O-N 2.67Å; S93-I138 WeakPolarHBondContact OG-CD1 3.41Å
94A98.6Very high98.5Very high36 Ų3639.7 Ų39.730%0.29819%0.188SC..THydrogen-bonded Turntrans-89-6.5177.700000112.7D92 H96 L129D92-A94 PolarHBondContact O-N 2.91Å; D92-A94 PolarHBondContact OD1-N 3.26Å; A94-H96 PolarHBondContact O-CD2 2.97Å; A94-H96 PolarHBondContact O-N 2.92Å; A94-L129 HydrophobicContact CB-CB 4.22Å; A94-L129 HydrophobicContact CB-CD1 3.86Å
95D98.4Very high98.6Very high32 Ų3240.9 Ų40.917%0.17119%0.192CC..  trans-96.477.4-177.1-163.5-25.1000112.7D92 Q97 R98D92-D95 HydrophobicContact CB-CB 3.78Å; D92-D95 PolarHBondContact O-N 3.12Å; D92-D95 PolarHBondContact OD1-N 2.69Å; D95-Q97 VanDerWaalsContact C-N 3.3Å; D95-Q97 PolarHBondContact O-N 2.64Å; D95-R98 WeakPolarHBondContact OD1-CB 3.28Å; D95-R98 PolarHBondContact OD1-N 2.67Å; D95-R98 IonicContact OD1-NE 2.77Å; D95-R98 IonicContact OD2-CZ 2.78Å; D95-R98 IonicContact OD2-NE 3.35Å; D95-R98 PolarHBondContact OD2-NE 3.07Å; D95-R98 IonicContact OD2-NH2 3.57Å; D95-R98 PolarHBondContact OD2-NH2 3.36Å
96H98.1Very high98.6Very high100 Ų10040.2 Ų40.246%0.46319%0.189SC..  trans-67.8-34.6-175-61.9-159.6000111.5A94 R98 M99 G131A94-H96 PolarHBondContact O-CD2 2.97Å; A94-H96 PolarHBondContact O-N 2.92Å; H96-R98 VanDerWaalsContact C-N 3.31Å; H96-R98 PolarHBondContact O-N 2.87Å; H96-M99 PolarHBondContact O-N 3.01Å; H96-G131 PolarHBondContact CE1-O 3.16Å; H96-G131 PolarHBondContact NE2-O 2.89Å
97Q98.3Very high98.7Very high188 Ų18842.7 Ų42.788%0.87920%0.2SC*.THydrogen-bonded Turntrans-67.7-31.1-174.5-67.2-174.3-14.900112.6D95D95-Q97 VanDerWaalsContact C-N 3.3Å; D95-Q97 PolarHBondContact O-N 2.64Å
98R98.4Very high98.6Very high61 Ų6145 Ų4523%0.2322%0.216CC..THydrogen-bonded Turntrans-97.97.2-178.3-63-166.6-64.6159.74114.1L24 D25 D95 H96 Q100 D101 C102L24-R98 HydrophobicContact CD1-CB 3.95Å; D25-R98 VanDerWaalsContact CG-NH1 3.29Å; D25-R98 PolarHBondContact O-NH1 3.16Å; D25-R98 PolarHBondContact O-NH2 2.99Å; D25-R98 IonicContact OD1-NH1 2.89Å; D25-R98 PolarHBondContact OD1-NH1 3.38Å; D25-R98 IonicContact OD2-CZ 2.77Å; D25-R98 IonicContact OD2-NH1 3.57Å; D25-R98 PolarHBondContact OD2-NH1 2.87Å; D95-R98 WeakPolarHBondContact OD1-CB 3.28Å; D95-R98 PolarHBondContact OD1-N 2.67Å; D95-R98 IonicContact OD1-NE 2.77Å; D95-R98 IonicContact OD2-CZ 2.78Å; D95-R98 IonicContact OD2-NE 3.35Å; D95-R98 PolarHBondContact OD2-NE 3.07Å; D95-R98 IonicContact OD2-NH2 3.57Å; D95-R98 PolarHBondContact OD2-NH2 3.36Å; H96-R98 VanDerWaalsContact C-N 3.31Å; H96-R98 PolarHBondContact O-N 2.87Å; R98-Q100 VanDerWaalsContact C-N 3.28Å; R98-Q100 PolarHBondContact O-N 3.25Å; R98-D101 WeakPolarHBondContact O-CA 3.39Å; R98-D101 WeakPolarHBondContact O-CB 3.3Å; R98-D101 PolarHBondContact O-N 2.96Å; R98-C102 WeakPolarHBondContact O-CB 3.48Å; R98-C102 PolarHBondContact O-N 3.16Å
99M98.5Very high98.6Very high14 Ų1445.1 Ų45.17%0.06922%0.217CC..Hα-helixtrans-60.1-37.9-178.1-163.957.765.600112.7V91 H96 C102 Q103 L133 I138 A141 L142V91-M99 HydrophobicContact CG1-CE 3.91Å; V91-M99 HydrophobicContact CG1-SD 4.13Å; H96-M99 PolarHBondContact O-N 3.01Å; M99-C102 WeakPolarHBondContact O-CB 3.5Å; M99-C102 PolarHBondContact O-N 3.49Å; M99-C102 HydrophobicContact SD-CB 4.48Å; M99-Q103 WeakPolarHBondContact O-CB 3.4Å; M99-Q103 PolarHBondContact O-N 2.99Å; M99-L133 HydrophobicContact CE-CD1 3.7Å; M99-I138 HydrophobicContact CE-CG1 4.07Å; M99-A141 HydrophobicContact CG-CB 3.49Å; M99-A141 VanDerWaalsContact CG-CB 3.49Å; M99-A141 HydrophobicContact SD-CB 4.35Å; M99-L142 HydrophobicContact CG-CD2 4.44Å; M99-L142 HydrophobicContact SD-CD2 3.69Å; M99-L142 HydrophobicContact SD-CG 4.2Å
100Q98.4Very high98.5Very high148 Ų14845.8 Ų45.869%0.69222%0.221SC*.Hα-helixtrans-67.6-35.6174.8-167.617829.400112.6R98 R104R98-Q100 VanDerWaalsContact C-N 3.28Å; R98-Q100 PolarHBondContact O-N 3.25Å; Q100-R104 WeakPolarHBondContact O-CG 3.41Å; Q100-R104 PolarHBondContact O-N 3.35Å; Q100-R104 VanDerWaalsContact O-N 3.11Å
101D98.6Very high98.5Very high24 Ų2451.3 Ų51.313%0.12825%0.254CS..Hα-helixtrans-66.2-43173.2-161.151.6000110.5L24 R74 R98 Q103 R104 E105L24-D101 HydrophobicContact CD1-CB 4.23Å; R74-D101 IonicContact CZ-OD2 3.39Å; R74-D101 IonicContact NH1-OD1 2.82Å; R74-D101 IonicContact NH1-OD2 3.54Å; R74-D101 PolarHBondContact NH1-OD2 2.93Å; R74-D101 IonicContact NH2-OD2 3.93Å; R74-D101 PolarHBondContact NH2-OD2 3.39Å; R98-D101 WeakPolarHBondContact O-CA 3.39Å; R98-D101 WeakPolarHBondContact O-CB 3.3Å; R98-D101 PolarHBondContact O-N 2.96Å; D101-Q103 PolarHBondContact O-N 2.59Å; D101-R104 PolarHBondContact O-N 3.16Å; D101-R104 IonicContact OD1-CZ 3.99Å; D101-R104 IonicContact OD1-NH2 3.67Å; D101-R104 PolarHBondContact OD1-NH2 3.09Å; D101-E105 VanDerWaalsContact O-CG 3.25Å; D101-E105 WeakPolarHBondContact O-CG 3.32Å; D101-E105 PolarHBondContact O-N 2.92Å
102C98.7Very high98.4Very high6 Ų654.2 Ų54.24%0.04127%0.268CS..Hα-helixtrans-59.4-44.5176.2-170.10000111.8L24 W89 R98 M99 E105 L106 L142L24-C102 HydrophobicContact CD1-CB 3.97Å; L24-C102 HydrophobicContact CG-CB 4.22Å; W89-C102 WeakPolarHBondContact CZ2-O 3.33Å; W89-C102 PolarHBondContact NE1-SG 3.37Å; R98-C102 WeakPolarHBondContact O-CB 3.48Å; R98-C102 PolarHBondContact O-N 3.16Å; M99-C102 WeakPolarHBondContact O-CB 3.5Å; M99-C102 PolarHBondContact O-N 3.49Å; M99-C102 HydrophobicContact SD-CB 4.48Å; C102-E105 PolarHBondContact O-N 3.17Å; C102-L106 WeakPolarHBondContact O-CB 3.48Å; C102-L106 PolarHBondContact O-N 3.04Å; C102-L142 HydrophobicContact CB-CD2 4.18Å
103Q98.8Very high98.3Very high30 Ų3062 Ų6214%0.1430%0.303CS..Hα-helixtrans-60.7-50176.2-175.4-101.111.200111.6M99 D101 E105 L106 Q107 L142 E143M99-Q103 WeakPolarHBondContact O-CB 3.4Å; M99-Q103 PolarHBondContact O-N 2.99Å; D101-Q103 PolarHBondContact O-N 2.59Å; Q103-E105 VanDerWaalsContact C-N 3.34Å; Q103-E105 PolarHBondContact O-N 3.11Å; Q103-L106 PolarHBondContact O-N 2.88Å; Q103-Q107 HydrophobicContact CG-CG 4.46Å; Q103-Q107 VanDerWaalsContact O-CG 3.29Å; Q103-Q107 WeakPolarHBondContact O-CG 3.17Å; Q103-Q107 PolarHBondContact O-N 2.86Å; Q103-L142 HydrophobicContact CB-CD2 3.79Å; Q103-E143 PolarHBondContact NE2-OE1 3.24Å
104R98.7Very high98.2Very high140 Ų14066.7 Ų66.753%0.52832%0.321SS..Hα-helixtrans-60.7-41.8179.8-70.8-175.9-54.9176.34.4112.9Q100 D101 Q107 S108Q100-R104 WeakPolarHBondContact O-CG 3.41Å; Q100-R104 PolarHBondContact O-N 3.35Å; Q100-R104 VanDerWaalsContact O-N 3.11Å; D101-R104 PolarHBondContact O-N 3.16Å; D101-R104 IonicContact OD1-CZ 3.99Å; D101-R104 IonicContact OD1-NH2 3.67Å; D101-R104 PolarHBondContact OD1-NH2 3.09Å; R104-Q107 PolarHBondContact O-N 2.78Å; R104-S108 PolarHBondContact O-N 2.93Å
105E98.8Very high98.2Very high39 Ų3965.1 Ų65.118%0.18231%0.308CS..Hα-helixtrans-69.7-36.5178.8-63.6-74-170.500111.6L24 R74 W77 W89 D101 C102 Q103 S108 L109L24-E105 HydrophobicContact CD2-CB 4.29Å; L24-E105 HydrophobicContact CD2-CG 3.98Å; R74-E105 WeakPolarHBondContact CD-OE1 3.25Å; R74-E105 IonicContact CZ-OE1 3.75Å; R74-E105 IonicContact NE-OE1 3.89Å; R74-E105 IonicContact NH1-OE1 2.56Å; R74-E105 PolarHBondContact NH1-OE1 3.45Å; W77-E105 HydrophobicContact CZ3-CB 4.3Å; W89-E105 HydrophobicContact CH2-CB 3.69Å; W89-E105 HydrophobicContact CZ2-CB 4.12Å; D101-E105 VanDerWaalsContact O-CG 3.25Å; D101-E105 WeakPolarHBondContact O-CG 3.32Å; D101-E105 PolarHBondContact O-N 2.92Å; C102-E105 PolarHBondContact O-N 3.17Å; Q103-E105 VanDerWaalsContact C-N 3.34Å; Q103-E105 PolarHBondContact O-N 3.11Å; E105-S108 PolarHBondContact O-OG 2.84Å; E105-L109 WeakPolarHBondContact O-CG 3.37Å; E105-L109 PolarHBondContact O-N 3.11Å
106L98.8Very high97.9Very high0 Ų067 Ų670%033%0.328CS..Hα-helixtrans-63.9-48.9172.5178.358.5000110.7W89 C102 Q103 S108 L109 L110 L120 L142 L144W89-L106 HydrophobicContact CB-CD1 4.2Å; W89-L106 HydrophobicContact CD2-CB 4.34Å; W89-L106 HydrophobicContact CD2-CD1 4Å; W89-L106 HydrophobicContact CE3-CD1 4.47Å; W89-L106 HydrophobicContact CG-CD1 3.86Å; W89-L106 HydrophobicContact CZ2-CB 4.1Å; C102-L106 WeakPolarHBondContact O-CB 3.48Å; C102-L106 PolarHBondContact O-N 3.04Å; Q103-L106 PolarHBondContact O-N 2.88Å; L106-S108 VanDerWaalsContact C-N 3.28Å; L106-S108 PolarHBondContact O-N 3.34Å; L106-L109 WeakPolarHBondContact O-CB 3.4Å; L106-L109 PolarHBondContact O-N 2.85Å; L106-L109 VanDerWaalsContact O-N 3.07Å; L106-L110 HydrophobicContact CD1-CD1 4.44Å; L106-L110 HydrophobicContact CD1-CD2 4.37Å; L106-L110 HydrophobicContact CD1-CG 4.29Å; L106-L110 HydrophobicContact CG-CD1 4.28Å; L106-L110 HydrophobicContact CG-CG 4.5Å; L106-L110 WeakPolarHBondContact O-CG 3.39Å; L106-L110 PolarHBondContact O-N 2.85Å; L106-L120 HydrophobicContact CD1-CD1 4.1Å; L106-L120 HydrophobicContact CD1-CD2 4.2Å; L106-L142 HydrophobicContact CD2-CB 4.46Å; L106-L142 HydrophobicContact CD2-CD1 4.23Å; L106-L144 HydrophobicContact CD2-CD2 3.73Å
107Q98.4Very high97.6Very high53 Ų5364.2 Ų64.225%0.24833%0.326CS..Hα-helixtrans-61.8-35.5-178.7-66.3-61.4-25.100112.4Q103 R104 L109 L110 L142Q103-Q107 HydrophobicContact CG-CG 4.46Å; Q103-Q107 VanDerWaalsContact O-CG 3.29Å; Q103-Q107 WeakPolarHBondContact O-CG 3.17Å; Q103-Q107 PolarHBondContact O-N 2.86Å; R104-Q107 PolarHBondContact O-N 2.78Å; Q107-L109 VanDerWaalsContact C-N 3.31Å; Q107-L109 PolarHBondContact O-N 2.79Å; Q107-L110 PolarHBondContact O-N 3.4Å; Q107-L142 PolarHBondContact NE2-O 2.97Å
108S98.2Very high97.6Very high51 Ų5155.5 Ų55.536%0.35729%0.286SS..Hα-helixtrans-66.1-32.5175.474.70000112.7R104 E105 L106 V111R104-S108 PolarHBondContact O-N 2.93Å; E105-S108 PolarHBondContact O-OG 2.84Å; L106-S108 VanDerWaalsContact C-N 3.28Å; L106-S108 PolarHBondContact O-N 3.34Å; S108-V111 VanDerWaalsContact O-CG2 3.22Å; S108-V111 WeakPolarHBondContact O-CG2 3.36Å
109L98.3Very high97.6Very high4 Ų452.6 Ų52.62%0.02128%0.275CS..Hα-helixtrans-70.7-35.9174.4-66.6174.2000112.4L22 W77 F81 L87 W89 E105 L106 Q107 V111 E112 L115L22-L109 HydrophobicContact CB-CD1 4.42Å; L22-L109 HydrophobicContact CD1-CD1 3.79Å; L22-L109 HydrophobicContact CD1-CD2 4Å; W77-L109 HydrophobicContact CE3-CD1 4.39Å; W77-L109 HydrophobicContact CE3-CD2 4.11Å; W77-L109 HydrophobicContact CZ3-CD1 4.25Å; F81-L109 HydrophobicContact CE1-CD2 3.65Å; F81-L109 HydrophobicContact CE2-CD2 4.22Å; F81-L109 HydrophobicContact CZ-CD2 3.3Å; L87-L109 HydrophobicContact CD2-CB 4.46Å; L87-L109 HydrophobicContact CD2-CD1 4.42Å; W89-L109 HydrophobicContact CE3-CD1 3.77Å; W89-L109 HydrophobicContact CH2-CD1 4.32Å; W89-L109 HydrophobicContact CZ3-CD1 3.43Å; W89-L109 VanDerWaalsContact CZ3-CD1 3.43Å; E105-L109 WeakPolarHBondContact O-CG 3.37Å; E105-L109 PolarHBondContact O-N 3.11Å; L106-L109 WeakPolarHBondContact O-CB 3.4Å; L106-L109 PolarHBondContact O-N 2.85Å; L106-L109 VanDerWaalsContact O-N 3.07Å; Q107-L109 VanDerWaalsContact C-N 3.31Å; Q107-L109 PolarHBondContact O-N 2.79Å; L109-V111 PolarHBondContact O-N 3.5Å; L109-E112 WeakPolarHBondContact O-CB 3.48Å; L109-E112 PolarHBondContact O-N 2.82Å; L109-E112 VanDerWaalsContact O-N 3.15Å; L109-L115 HydrophobicContact CB-CD1 4.08Å; L109-L115 HydrophobicContact CD2-CD1 4.1Å
110L97.8Very high97.6Very high13 Ų1352 Ų527%0.06827%0.272CS..Hα-helixtrans-73.3-9.7-174.8-62.9-176.7000114.4L106 Q107 L120 I147 H150L106-L110 HydrophobicContact CD1-CD1 4.44Å; L106-L110 HydrophobicContact CD1-CD2 4.37Å; L106-L110 HydrophobicContact CD1-CG 4.29Å; L106-L110 HydrophobicContact CG-CD1 4.28Å; L106-L110 HydrophobicContact CG-CG 4.5Å; L106-L110 WeakPolarHBondContact O-CG 3.39Å; L106-L110 PolarHBondContact O-N 2.85Å; Q107-L110 PolarHBondContact O-N 3.4Å; L110-L120 HydrophobicContact CD2-CD2 4.14Å; L110-I147 HydrophobicContact CD1-CD1 3.53Å; L110-I147 HydrophobicContact CD1-CG1 3.73Å; L110-I147 HydrophobicContact CD1-CG2 4.14Å; L110-H150 PolarHBondContact O-CE1 3.37Å
111V97.6Very high97.6Very high117 Ų11744.9 Ų44.971%0.70924%0.239SC*.THydrogen-bonded Turntrans-99.5-2.2173.6-59.80000112.9S108 L109 E113S108-V111 VanDerWaalsContact O-CG2 3.22Å; S108-V111 WeakPolarHBondContact O-CG2 3.36Å; L109-V111 PolarHBondContact O-N 3.5Å; V111-E113 PolarHBondContact O-N 2.92Å
112E98.1Very high97.7Very high65 Ų6543.8 Ų43.830%0.30423%0.233SC..  trans-76.2118.7178.4-72.7-82.316000110.9F81 L109 R114 L115 A116F81-E112 HydrophobicContact CD2-CB 4.11Å; F81-E112 HydrophobicContact CD2-CG 3.99Å; F81-E112 HydrophobicContact CE2-CB 4.15Å; F81-E112 HydrophobicContact CE2-CG 3.55Å; F81-E112 HydrophobicContact CZ-CG 4.47Å; L109-E112 WeakPolarHBondContact O-CB 3.48Å; L109-E112 PolarHBondContact O-N 2.82Å; L109-E112 VanDerWaalsContact O-N 3.15Å; E112-R114 PolarHBondContact O-N 3.35Å; E112-R114 VanDerWaalsContact O-N 3.11Å; E112-R114 IonicContact OE2-CZ 2.89Å; E112-R114 IonicContact OE2-NH2 3.86Å; E112-R114 PolarHBondContact OE2-NH2 3.18Å; E112-L115 HydrophobicContact CB-CB 4.37Å; E112-L115 HydrophobicContact CB-CD1 4.2Å; E112-L115 HydrophobicContact CB-CG 4.37Å; E112-L115 PolarHBondContact O-N 2.85Å; E112-A116 PolarHBondContact O-N 2.81Å
113E96.3Very high97.7Very high180 Ų18043.5 Ų43.584%0.84123%0.231SC*.G310 helixtrans-56.1-32.7179.9-65.7-176.2167.500112.9V111 L115 A116V111-E113 PolarHBondContact O-N 2.92Å; E113-L115 PolarHBondContact O-N 3.37Å; E113-A116 WeakPolarHBondContact O-CB 3.4Å; E113-A116 PolarHBondContact O-N 3.46Å; E113-A116 VanDerWaalsContact O-N 3.1Å
114R96.9Very high97.7Very high100 Ų10042 Ų4238%0.37722%0.224SC..G310 helixtrans-73.7-13.4179.3-70.7171.6-68.1156.48.4113.9R78 F81 E82 E112R78-R114 PolarHBondContact O-NH1 3.25Å; F81-R114 HydrophobicContact CB-CB 3.8Å; E82-R114 VanDerWaalsContact OE2-CD 3.25Å; E82-R114 WeakPolarHBondContact OE2-CD 3.47Å; E82-R114 WeakPolarHBondContact OE2-CG 3.34Å; E112-R114 PolarHBondContact O-N 3.35Å; E112-R114 VanDerWaalsContact O-N 3.11Å; E112-R114 IonicContact OE2-CZ 2.89Å; E112-R114 IonicContact OE2-NH2 3.86Å; E112-R114 PolarHBondContact OE2-NH2 3.18Å
115L97.5Very high97.7Very high2 Ų235.5 Ų35.51%0.0120%0.2CC..G310 helixtrans-100.4-2.9171.1-67.7172.8000112L20 F81 T84 L87 L109 E112 E113 G117 A118 H150L20-L115 HydrophobicContact CD2-CD2 4.31Å; F81-L115 HydrophobicContact CB-CD2 4Å; F81-L115 HydrophobicContact CB-CG 4Å; F81-L115 HydrophobicContact CD1-CD1 3.89Å; F81-L115 HydrophobicContact CD1-CD2 4.11Å; F81-L115 HydrophobicContact CD1-CG 4.14Å; F81-L115 HydrophobicContact CD2-CD1 4.16Å; F81-L115 HydrophobicContact CD2-CG 4.26Å; F81-L115 HydrophobicContact CE1-CD1 4.03Å; F81-L115 HydrophobicContact CE2-CD1 4.32Å; F81-L115 HydrophobicContact CG-CD1 3.98Å; F81-L115 HydrophobicContact CG-CD2 4.14Å; F81-L115 HydrophobicContact CG-CG 3.89Å; F81-L115 HydrophobicContact CZ-CD1 4.26Å; T84-L115 HydrophobicContact CG2-CD2 4.08Å; L87-L115 HydrophobicContact CD2-CD1 4.36Å; L109-L115 HydrophobicContact CB-CD1 4.08Å; L109-L115 HydrophobicContact CD2-CD1 4.1Å; E112-L115 HydrophobicContact CB-CB 4.37Å; E112-L115 HydrophobicContact CB-CD1 4.2Å; E112-L115 HydrophobicContact CB-CG 4.37Å; E112-L115 PolarHBondContact O-N 2.85Å; E113-L115 PolarHBondContact O-N 3.37Å; L115-G117 PolarHBondContact O-N 3.42Å; L115-A118 WeakPolarHBondContact O-CB 3.37Å; L115-A118 PolarHBondContact O-N 2.93Å; L115-H150 PolarHBondContact O-NE2 2.64Å
116A93.9Very high97.7Very high73 Ų7335.2 Ų35.260%0.60320%0.198SC*.THydrogen-bonded Turntrans-57.4124.6177.800000110.4E112 E113E112-A116 PolarHBondContact O-N 2.81Å; E113-A116 WeakPolarHBondContact O-CB 3.4Å; E113-A116 PolarHBondContact O-N 3.46Å; E113-A116 VanDerWaalsContact O-N 3.1Å
117G91.8Very high97.7Very high41 Ų4138.5 Ų38.542%0.42321%0.213SC..THydrogen-bonded Turntrans86.91.4-179.700000115.2L115 R179L115-G117 PolarHBondContact O-N 3.42Å; G117-R179 PolarHBondContact O-NE 3.35Å; G117-R179 PolarHBondContact O-NH1 3.42Å; G117-R179 PolarHBondContact O-NH2 2.82Å
118A97.2Very high97.7Very high4 Ų439.5 Ų39.53%0.03322%0.22CC..PPolyproline II helixtrans-69.6145.4167.100000111T84 D85 L115 H150T84-A118 HydrophobicContact CG2-CB 4.24Å; D85-A118 WeakPolarHBondContact O-CA 3.38Å; L115-A118 WeakPolarHBondContact O-CB 3.37Å; L115-A118 PolarHBondContact O-N 2.93Å; A118-H150 PolarHBondContact O-CD2 3Å; A118-H150 VanDerWaalsContact O-CD2 3.24Å
119T98.4Very high97.7Very high0 Ų040.4 Ų40.40%022%0.221CC..EExtended strand (participates in β ladder)trans-79135.5167.7-57.40000109.4D85 G86 L87 W171 L172 D175 I176 R179D85-T119 PolarHBondContact O-N 3.4Å; D85-T119 VanDerWaalsContact O-N 3.12Å; G86-T119 CarbonylContact C-O 3.58Å; G86-T119 WeakPolarHBondContact CA-O 3.4Å; L87-T119 PolarHBondContact N-O 3.49Å; T119-W171 HydrophobicContact CG2-CH2 3.42Å; T119-W171 VanDerWaalsContact CG2-CH2 3.42Å; T119-W171 HydrophobicContact CG2-CZ2 4.41Å; T119-W171 HydrophobicContact CG2-CZ3 3.54Å; T119-L172 HydrophobicContact CG2-CD1 3.44Å; T119-L172 VanDerWaalsContact CG2-CD1 3.44Å; T119-D175 WeakPolarHBondContact CB-OD2 3.27Å; T119-D175 HydrophobicContact CG2-CB 3.93Å; T119-D175 WeakPolarHBondContact CG2-OD2 3.43Å; T119-D175 PolarHBondContact OG1-OD2 3.02Å; T119-I176 WeakPolarHBondContact OG1-CG1 3.25Å; T119-R179 PolarHBondContact OG1-NH1 2.77Å
120L98.8Very high97.6Very high1 Ų146.1 Ų46.11%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-97.6116.2177.3174.566.1000111.4L87 W89 L106 L110 I122 I147 H150 H151 W152 C153 W171L87-L120 HydrophobicContact CB-CD1 4.39Å; L87-L120 HydrophobicContact CD2-CD1 4.01Å; L87-L120 HydrophobicContact CG-CD1 4.04Å; L87-L120 CarbonylContact O-C 3.49Å; L87-L120 WeakPolarHBondContact O-CA 3.46Å; W89-L120 HydrophobicContact CB-CD1 3.95Å; L106-L120 HydrophobicContact CD1-CD1 4.1Å; L106-L120 HydrophobicContact CD1-CD2 4.2Å; L110-L120 HydrophobicContact CD2-CD2 4.14Å; L120-I122 HydrophobicContact CD1-CD1 4.47Å; L120-I122 HydrophobicContact CD1-CG1 4.47Å; L120-I122 HydrophobicContact CD2-CD1 3.73Å; L120-I122 HydrophobicContact CD2-CG1 4.27Å; L120-I122 HydrophobicContact CG-CD1 3.7Å; L120-I122 HydrophobicContact CG-CG1 4.21Å; L120-I147 HydrophobicContact CD2-CD1 4.03Å; L120-H150 HydrophobicContact CB-CB 4.49Å; L120-H151 PolarHBondContact N-O 3.06Å; L120-W152 HydrophobicContact CB-CB 3.92Å; L120-W152 HydrophobicContact CD2-CB 3.93Å; L120-W152 HydrophobicContact CG-CB 4.11Å; L120-W152 WeakPolarHBondContact O-CA 3.4Å; L120-C153 PolarHBondContact O-N 2.99Å; L120-W171 WeakPolarHBondContact O-CZ3 3.42Å
121L98.9Very high97.6Very high0 Ų048.1 Ų48.10%028%0.282CS..EExtended strand (participates in β ladder)trans-104124.2166.317464.2000109.5L87 I88 W89 F123 Q155 G168 I169 W171 L172L87-L121 PolarHBondContact O-N 3.4Å; I88-L121 CarbonylContact C-O 3.59Å; I88-L121 WeakPolarHBondContact CA-O 3.34Å; I88-L121 HydrophobicContact CG1-CB 4.44Å; I88-L121 HydrophobicContact CG1-CD2 4.37Å; W89-L121 PolarHBondContact N-O 3.01Å; L121-F123 HydrophobicContact CD2-CD2 4.28Å; L121-F123 HydrophobicContact CD2-CE1 4.14Å; L121-F123 HydrophobicContact CD2-CE2 3.71Å; L121-F123 HydrophobicContact CD2-CZ 3.63Å; L121-Q155 HydrophobicContact CD1-CB 4.32Å; L121-G168 WeakPolarHBondContact CD2-O 3.28Å; L121-I169 HydrophobicContact CD2-CD1 4.17Å; L121-W171 HydrophobicContact CB-CZ3 4.25Å; L121-W171 HydrophobicContact CD1-CE3 4.05Å; L121-W171 HydrophobicContact CD1-CZ3 4.37Å; L121-L172 HydrophobicContact CB-CB 4.44Å; L121-L172 HydrophobicContact CB-CD1 4.22Å; L121-L172 HydrophobicContact CB-CD2 4.25Å; L121-L172 HydrophobicContact CD2-CB 4.26Å; L121-L172 HydrophobicContact CD2-CD2 4.17Å
122I98.9Very high97.6Very high0 Ų043.8 Ų43.80%026%0.259CS..EExtended strand (participates in β ladder)trans-98.2117.8171.7-5588.6000108.7W89 V91 L120 L142 L144 W152 C153 I154 Q155W89-I122 CarbonylContact O-C 3.42Å; W89-I122 WeakPolarHBondContact O-CA 3.39Å; V91-I122 HydrophobicContact CG2-CG2 3.86Å; L120-I122 HydrophobicContact CD1-CD1 4.47Å; L120-I122 HydrophobicContact CD1-CG1 4.47Å; L120-I122 HydrophobicContact CD2-CD1 3.73Å; L120-I122 HydrophobicContact CD2-CG1 4.27Å; L120-I122 HydrophobicContact CG-CD1 3.7Å; L120-I122 HydrophobicContact CG-CG1 4.21Å; I122-L142 HydrophobicContact CG2-CD1 4.48Å; I122-L144 HydrophobicContact CD1-CD1 3.91Å; I122-L144 HydrophobicContact CD1-CD2 4.32Å; I122-L144 HydrophobicContact CG1-CD1 4.09Å; I122-L144 HydrophobicContact CG1-CD2 4.33Å; I122-W152 HydrophobicContact CD1-CB 4.11Å; I122-W152 HydrophobicContact CD1-CE3 4.03Å; I122-C153 WeakPolarHBondContact CD1-O 2.93Å; I122-C153 PolarHBondContact N-O 2.88Å; I122-I154 HydrophobicContact CB-CB 4.14Å; I122-I154 HydrophobicContact CB-CD1 4.49Å; I122-I154 HydrophobicContact CB-CG1 4.09Å; I122-I154 HydrophobicContact CG2-CD1 4.05Å; I122-I154 HydrophobicContact CG2-CG1 4.04Å; I122-I154 CarbonylContact O-C 3.6Å; I122-I154 WeakPolarHBondContact O-CA 3.45Å; I122-Q155 PolarHBondContact O-N 3.44Å
123F98.9Very high97.7Very high0 Ų042.7 Ų42.70%026%0.255CS..EExtended strand (participates in β ladder)trans-91.7108165.6-82.7-49000109.9I32 F36 I88 W89 V90 V91 L121 N125 Q155 C157 L165 I169I32-F123 HydrophobicContact CD1-CB 4.36Å; I32-F123 HydrophobicContact CD1-CD2 4Å; I32-F123 HydrophobicContact CD1-CG 4.37Å; I32-F123 HydrophobicContact CG2-CE2 4.45Å; F36-F123 HydrophobicContact CZ-CZ 4.48Å; I88-F123 HydrophobicContact CG2-CD2 3.49Å; I88-F123 VanDerWaalsContact CG2-CD2 3.49Å; I88-F123 HydrophobicContact CG2-CE2 3.87Å; W89-F123 PolarHBondContact O-N 3.15Å; V90-F123 HydrophobicContact CG1-CB 4.4Å; V90-F123 HydrophobicContact CG2-CB 4.43Å; V91-F123 PolarHBondContact N-O 3.32Å; L121-F123 HydrophobicContact CD2-CD2 4.28Å; L121-F123 HydrophobicContact CD2-CE1 4.14Å; L121-F123 HydrophobicContact CD2-CE2 3.71Å; L121-F123 HydrophobicContact CD2-CZ 3.63Å; F123-N125 PolarHBondContact O-N 2.95Å; F123-Q155 HydrophobicContact CD1-CB 4.05Å; F123-Q155 HydrophobicContact CD1-CG 4.29Å; F123-Q155 HydrophobicContact CE1-CB 4.13Å; F123-Q155 HydrophobicContact CE1-CG 4.08Å; F123-C157 HydrophobicContact CD1-CB 4.07Å; F123-C157 WeakPolarHBondContact CD1-SG 3.25Å; F123-C157 HydrophobicContact CE1-CB 4.43Å; F123-L165 HydrophobicContact CE1-CD2 4.31Å; F123-L165 HydrophobicContact CZ-CD2 4.33Å; F123-L165 WeakPolarHBondContact CZ-O 3.46Å; F123-I169 HydrophobicContact CE2-CD1 4.33Å; F123-I169 HydrophobicContact CZ-CD1 4.33Å; F123-I169 HydrophobicContact CZ-CG1 4.38Å
124A98.9Very high97.8Very high0 Ų037.1 Ų37.10%024%0.235CC..EExtended strand (participates in β ladder)trans-77.780.8165.200000108.2S93 Q127 I138 I154 Q155 G156 C157S93-A124 PolarHBondContact OG-O 2.91Å; A124-Q127 VanDerWaalsContact O-CG 3.32Å; A124-Q127 WeakPolarHBondContact O-CG 3.44Å; A124-I138 HydrophobicContact CB-CD1 3.54Å; A124-I154 HydrophobicContact CB-CD1 4.16Å; A124-I154 HydrophobicContact CB-CG1 4.16Å; A124-Q155 PolarHBondContact N-O 2.79Å; A124-G156 WeakPolarHBondContact O-CA 3.27Å; A124-C157 PolarHBondContact O-N 2.9Å
125N98.9Very high97.8Very high3 Ų333.7 Ų33.72%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-82.2165.3-170.5-172.732.5000112.1A27 V90 V91 S93 F123 C157 A159A27-N125 PolarHBondContact O-ND2 2.94Å; V90-N125 HydrophobicContact CG1-CB 3.87Å; V91-N125 WeakPolarHBondContact O-CA 3.43Å; V91-N125 WeakPolarHBondContact O-CB 3.36Å; V91-N125 PolarHBondContact O-N 2.79Å; S93-N125 WeakPolarHBondContact CB-O 3.37Å; S93-N125 PolarHBondContact N-O 2.84Å; S93-N125 PolarHBondContact OG-N 2.92Å; S93-N125 PolarHBondContact OG-O 2.86Å; F123-N125 PolarHBondContact O-N 2.95Å; N125-C157 CarbonylContact C-O 3.59Å; N125-C157 WeakPolarHBondContact CA-O 3.44Å; N125-A159 WeakPolarHBondContact OD1-CB 3.38Å; N125-A159 PolarHBondContact OD1-N 3.33Å
126K98.8Very high97.9Very high33 Ų3338.4 Ų38.414%0.14325%0.252CS..  trans67.433.9-179.7-44.1-164.4-166174.80114.2N26 D92 D128 L129 A132 C157N26-K126 PolarHBondContact ND2-NZ 3.06Å; N26-K126 WeakPolarHBondContact O-CE 3.49Å; N26-K126 PolarHBondContact O-NZ 3.19Å; D92-K126 WeakPolarHBondContact OD1-CD 3.49Å; D92-K126 IonicContact OD1-NZ 3.8Å; D92-K126 VanDerWaalsContact OD2-CE 3.27Å; D92-K126 WeakPolarHBondContact OD2-CE 3.45Å; D92-K126 IonicContact OD2-NZ 3.75Å; D92-K126 PolarHBondContact OD2-NZ 3.46Å; K126-D128 WeakPolarHBondContact CA-OD1 3.38Å; K126-D128 PolarHBondContact O-N 3.21Å; K126-D128 VanDerWaalsContact O-N 3.16Å; K126-L129 HydrophobicContact CB-CD1 3.84Å; K126-L129 HydrophobicContact CB-CG 4.12Å; K126-L129 HydrophobicContact CD-CD1 3.81Å; K126-L129 HydrophobicContact CG-CD1 4.46Å; K126-L129 PolarHBondContact O-N 3.41Å; K126-L129 VanDerWaalsContact O-N 3.09Å; K126-A132 WeakPolarHBondContact O-CB 3.33Å; K126-C157 PolarHBondContact N-O 3Å; K126-C157 VanDerWaalsContact N-O 3.11Å
127Q98.8Very high98.1Very high68 Ų6836.5 Ų36.532%0.31824%0.236SC..THydrogen-bonded Turntrans-64.4-12.2174.1-66.8-68.4-49.200113.2S93 A124 L129 L133 C157S93-Q127 PolarHBondContact OG-NE2 3.39Å; A124-Q127 VanDerWaalsContact O-CG 3.32Å; A124-Q127 WeakPolarHBondContact O-CG 3.44Å; Q127-L129 VanDerWaalsContact C-N 3.26Å; Q127-L129 PolarHBondContact O-N 2.98Å; Q127-L133 PolarHBondContact NE2-O 3.34Å; Q127-C157 WeakPolarHBondContact CB-O 3.43Å; Q127-C157 WeakPolarHBondContact CG-O 3.46Å; Q127-C157 PolarHBondContact N-O 3.46Å; Q127-C157 VanDerWaalsContact N-O 3.09Å
128D98.5Very high98.5Very high74 Ų7434.5 Ų34.540%0.39622%0.216SC..THydrogen-bonded Turntrans-71.1-17.4171.154.5-79.2000113.8K126 S158 V160K126-D128 WeakPolarHBondContact CA-OD1 3.38Å; K126-D128 PolarHBondContact O-N 3.21Å; K126-D128 VanDerWaalsContact O-N 3.16Å; D128-S158 VanDerWaalsContact CG-OG 3.29Å; D128-S158 WeakPolarHBondContact OD1-CB 3.38Å; D128-S158 PolarHBondContact OD1-OG 2.99Å; D128-V160 HydrophobicContact CB-CG2 4.47Å; D128-V160 WeakPolarHBondContact OD1-CG2 3.32Å; D128-V160 WeakPolarHBondContact OD2-CG2 3.39Å
129L98.3Very high98.5Very high70 Ų7038.6 Ų38.637%0.36623%0.23SC..SBendtrans-85140.4-176.2-64.6-178.7000112.5A94 K126 Q127 G131 A132A94-L129 HydrophobicContact CB-CB 4.22Å; A94-L129 HydrophobicContact CB-CD1 3.86Å; K126-L129 HydrophobicContact CB-CD1 3.84Å; K126-L129 HydrophobicContact CB-CG 4.12Å; K126-L129 HydrophobicContact CD-CD1 3.81Å; K126-L129 HydrophobicContact CG-CD1 4.46Å; K126-L129 PolarHBondContact O-N 3.41Å; K126-L129 VanDerWaalsContact O-N 3.09Å; Q127-L129 VanDerWaalsContact C-N 3.26Å; Q127-L129 PolarHBondContact O-N 2.98Å; L129-G131 PolarHBondContact O-N 3Å; L129-A132 WeakPolarHBondContact O-CB 3.3Å; L129-A132 PolarHBondContact O-N 3.33Å; L129-A132 VanDerWaalsContact O-N 3.16Å
130P97Very high98.6Very high125 Ų12545.6 Ų45.681%0.81226%0.263SS*.THydrogen-bonded Turntrans-62.5133.7169.728-33.6000109.7
131G96.6Very high98.5Very high55 Ų5547.6 Ų47.657%0.56728%0.28SS*.THydrogen-bonded Turntrans83.65.7-177.100000114.5H96 L129 L133H96-G131 PolarHBondContact CE1-O 3.16Å; H96-G131 PolarHBondContact NE2-O 2.89Å; L129-G131 PolarHBondContact O-N 3Å; G131-L133 PolarHBondContact O-N 2.85Å
132A98.6Very high98.5Very high26 Ų2647.6 Ų47.622%0.21528%0.28CS..PPolyproline II helixtrans-56.8129.8167.800000110.8S93 K126 L129S93-A132 WeakPolarHBondContact O-CA 3.29Å; K126-A132 WeakPolarHBondContact O-CB 3.33Å; L129-A132 WeakPolarHBondContact O-CB 3.3Å; L129-A132 PolarHBondContact O-N 3.33Å; L129-A132 VanDerWaalsContact O-N 3.16Å
133L98.8Very high98.5Very high42 Ų4252.7 Ų52.722%0.2230%0.303CS..PPolyproline II helixtrans-65.2142.5172.2-69.5169.8000109.9S93 M99 Q127 G131 A137 I138S93-L133 PolarHBondContact O-N 2.67Å; M99-L133 HydrophobicContact CE-CD1 3.7Å; Q127-L133 PolarHBondContact NE2-O 3.34Å; G131-L133 PolarHBondContact O-N 2.85Å; L133-A137 HydrophobicContact CB-CB 4.26Å; L133-A137 HydrophobicContact CD2-CB 4.19Å; L133-I138 HydrophobicContact CB-CD1 4.12Å; L133-I138 HydrophobicContact CB-CG1 3.82Å; L133-I138 HydrophobicContact CD1-CG1 4.42Å
134S98.7Very high98.5Very high62 Ų6252.7 Ų52.743%0.43430%0.303SS..PPolyproline II helixtrans-64.9155.6172.471.40000110.6N136 A137 I138S134-N136 PolarHBondContact O-N 3.27Å; S134-N136 VanDerWaalsContact O-N 3.16Å; S134-A137 PolarHBondContact O-N 3.4Å; S134-A137 PolarHBondContact OG-N 2.82Å; S134-I138 PolarHBondContact O-N 3.38Å
135S98.4Very high98.5Very high28 Ų2856.1 Ų56.120%0.19632%0.322CS..Hα-helixtrans-55.8-32.3174.2-54.80000112.5R139 I154 G156S135-R139 VanDerWaalsContact O-CB 3.28Å; S135-R139 WeakPolarHBondContact O-CB 3.49Å; S135-R139 PolarHBondContact O-N 3.05Å; S135-I154 WeakPolarHBondContact O-CD1 3.49Å; S135-G156 WeakPolarHBondContact OG-CA 3.35Å; S135-G156 PolarHBondContact OG-N 2.9Å
136N98.7Very high98.4Very high102 Ų10259 Ų5955%0.54534%0.342SS..Hα-helixtrans-68.5-43.3175.5-71.4-14.4000112.4S134 I138 R139 E140S134-N136 PolarHBondContact O-N 3.27Å; S134-N136 VanDerWaalsContact O-N 3.16Å; N136-I138 VanDerWaalsContact C-N 3.3Å; N136-I138 PolarHBondContact O-N 2.94Å; N136-R139 WeakPolarHBondContact O-CB 3.13Å; N136-R139 PolarHBondContact O-N 3.26Å; N136-E140 WeakPolarHBondContact O-CG 3.4Å; N136-E140 PolarHBondContact O-N 3.32Å
137A98.7Very high98.4Very high32 Ų3257.9 Ų57.926%0.26434%0.338SS..Hα-helixtrans-63.6-37.7176.600000111.8L133 S134 A141L133-A137 HydrophobicContact CB-CB 4.26Å; L133-A137 HydrophobicContact CD2-CB 4.19Å; S134-A137 PolarHBondContact O-N 3.4Å; S134-A137 PolarHBondContact OG-N 2.82Å; A137-A141 VanDerWaalsContact O-CB 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.49Å; A137-A141 PolarHBondContact O-N 3.07Å
138I98.9Very high98.3Very high0 Ų064 Ų640%036%0.358CS..Hα-helixtrans-68.6-41.3174.4-65166.5000110.8V91 S93 M99 A124 L133 S134 N136 E140 A141 L142 I154V91-I138 HydrophobicContact CG1-CD1 4.45Å; V91-I138 HydrophobicContact CG1-CG2 4.2Å; V91-I138 HydrophobicContact CG2-CG2 4.47Å; S93-I138 WeakPolarHBondContact OG-CD1 3.41Å; M99-I138 HydrophobicContact CE-CG1 4.07Å; A124-I138 HydrophobicContact CB-CD1 3.54Å; L133-I138 HydrophobicContact CB-CD1 4.12Å; L133-I138 HydrophobicContact CB-CG1 3.82Å; L133-I138 HydrophobicContact CD1-CG1 4.42Å; S134-I138 PolarHBondContact O-N 3.38Å; N136-I138 VanDerWaalsContact C-N 3.3Å; N136-I138 PolarHBondContact O-N 2.94Å; I138-E140 VanDerWaalsContact C-N 3.29Å; I138-E140 PolarHBondContact O-N 3Å; I138-A141 PolarHBondContact O-N 3.17Å; I138-L142 HydrophobicContact CG2-CD1 3.62Å; I138-L142 HydrophobicContact CG2-CG 3.97Å; I138-L142 WeakPolarHBondContact O-CB 3.42Å; I138-L142 WeakPolarHBondContact O-CG 3.22Å; I138-L142 PolarHBondContact O-N 3.23Å; I138-I154 HydrophobicContact CB-CD1 3.99Å; I138-I154 HydrophobicContact CG2-CD1 3.76Å
139R98.8Very high98.1Very high89 Ų8964 Ų6434%0.33636%0.364SS..Hα-helixtrans-55.7-45.2175172.8-173.3178.4158.63.8111.7S135 N136 E143 L144 D145 W152S135-R139 VanDerWaalsContact O-CB 3.28Å; S135-R139 WeakPolarHBondContact O-CB 3.49Å; S135-R139 PolarHBondContact O-N 3.05Å; N136-R139 WeakPolarHBondContact O-CB 3.13Å; N136-R139 PolarHBondContact O-N 3.26Å; R139-E143 PolarHBondContact O-N 3.16Å; R139-L144 HydrophobicContact CB-CD1 4.2Å; R139-L144 HydrophobicContact CG-CB 4.15Å; R139-L144 HydrophobicContact CG-CD1 4.37Å; R139-L144 PolarHBondContact O-N 3.3Å; R139-D145 IonicContact CZ-OD1 2.74Å; R139-D145 IonicContact CZ-OD2 3.98Å; R139-D145 VanDerWaalsContact NE-CG 3.27Å; R139-D145 IonicContact NE-OD1 3.11Å; R139-D145 PolarHBondContact NE-OD1 2.65Å; R139-D145 IonicContact NE-OD2 3.07Å; R139-D145 PolarHBondContact NE-OD2 3.45Å; R139-D145 IonicContact NH2-OD1 3.59Å; R139-D145 PolarHBondContact NH2-OD1 2.95Å; R139-D145 IonicContact NH2-OD2 3.75Å; R139-D145 PolarHBondContact NH2-OD2 3.36Å; R139-W152 HydrophobicContact CG-CH2 4.12Å
140E98.7Very high98.1Very high147 Ų14761.6 Ų61.669%0.68735%0.351SS*.Hα-helixtrans-65.7-50.4175.6-71172.7-164.200111.4N136 I138 L142 E143N136-E140 WeakPolarHBondContact O-CG 3.4Å; N136-E140 PolarHBondContact O-N 3.32Å; I138-E140 VanDerWaalsContact C-N 3.29Å; I138-E140 PolarHBondContact O-N 3Å; E140-L142 VanDerWaalsContact C-N 3.32Å; E140-L142 PolarHBondContact O-N 3.47Å; E140-E143 PolarHBondContact O-N 2.92Å
141A98.5Very high98.2Very high43 Ų4361.1 Ų61.136%0.35534%0.337SS..Hα-helixtrans-66.1-30.4-175.200000114.2M99 A137 I138 E143M99-A141 HydrophobicContact CG-CB 3.49Å; M99-A141 VanDerWaalsContact CG-CB 3.49Å; M99-A141 HydrophobicContact SD-CB 4.35Å; A137-A141 VanDerWaalsContact O-CB 3.3Å; A137-A141 WeakPolarHBondContact O-CB 3.49Å; A137-A141 PolarHBondContact O-N 3.07Å; I138-A141 PolarHBondContact O-N 3.17Å; A141-E143 VanDerWaalsContact C-N 3.33Å
142L98.7Very high98.3Very high0 Ų061 Ų610%032%0.32CS..THydrogen-bonded Turntrans-88.8-2.4174.7-59.1-174.8000113V91 M99 C102 Q103 L106 Q107 I122 I138 E140 L144V91-L142 HydrophobicContact CG2-CD1 3.92Å; M99-L142 HydrophobicContact CG-CD2 4.44Å; M99-L142 HydrophobicContact SD-CD2 3.69Å; M99-L142 HydrophobicContact SD-CG 4.2Å; C102-L142 HydrophobicContact CB-CD2 4.18Å; Q103-L142 HydrophobicContact CB-CD2 3.79Å; L106-L142 HydrophobicContact CD2-CB 4.46Å; L106-L142 HydrophobicContact CD2-CD1 4.23Å; Q107-L142 PolarHBondContact NE2-O 2.97Å; I122-L142 HydrophobicContact CG2-CD1 4.48Å; I138-L142 HydrophobicContact CG2-CD1 3.62Å; I138-L142 HydrophobicContact CG2-CG 3.97Å; I138-L142 WeakPolarHBondContact O-CB 3.42Å; I138-L142 WeakPolarHBondContact O-CG 3.22Å; I138-L142 PolarHBondContact O-N 3.23Å; E140-L142 VanDerWaalsContact C-N 3.32Å; E140-L142 PolarHBondContact O-N 3.47Å; L142-L144 VanDerWaalsContact C-N 3.28Å; L142-L144 HydrophobicContact CB-CD2 3.58Å; L142-L144 HydrophobicContact CB-CG 3.93Å; L142-L144 HydrophobicContact CD1-CD2 4.24Å; L142-L144 PolarHBondContact O-N 3.46Å
143E98.5Very high98.3Very high107 Ų10761.3 Ų61.350%0.532%0.32SS..THydrogen-bonded Turntrans54.940.1-177.3-59.2175.2-16400112.8Q103 R139 E140 A141 D145 S146Q103-E143 PolarHBondContact NE2-OE1 3.24Å; R139-E143 PolarHBondContact O-N 3.16Å; E140-E143 PolarHBondContact O-N 2.92Å; A141-E143 VanDerWaalsContact C-N 3.33Å; E143-D145 PolarHBondContact O-N 3.31Å; E143-D145 VanDerWaalsContact O-N 3.16Å; E143-S146 WeakPolarHBondContact O-CB 3.32Å; E143-S146 PolarHBondContact O-N 2.9Å; E143-S146 PolarHBondContact O-OG 3.14Å
144L98.7Very high98.3Very high0 Ų060.5 Ų60.50%032%0.315CS..G310 helixtrans-61.7-30.3-173.5-55.8-176.1000112.2L106 I122 R139 L142 S146 I147 W152 I154L106-L144 HydrophobicContact CD2-CD2 3.73Å; I122-L144 HydrophobicContact CD1-CD1 3.91Å; I122-L144 HydrophobicContact CD1-CD2 4.32Å; I122-L144 HydrophobicContact CG1-CD1 4.09Å; I122-L144 HydrophobicContact CG1-CD2 4.33Å; R139-L144 HydrophobicContact CB-CD1 4.2Å; R139-L144 HydrophobicContact CG-CB 4.15Å; R139-L144 HydrophobicContact CG-CD1 4.37Å; R139-L144 PolarHBondContact O-N 3.3Å; L142-L144 VanDerWaalsContact C-N 3.28Å; L142-L144 HydrophobicContact CB-CD2 3.58Å; L142-L144 HydrophobicContact CB-CG 3.93Å; L142-L144 HydrophobicContact CD1-CD2 4.24Å; L142-L144 PolarHBondContact O-N 3.46Å; L144-S146 PolarHBondContact O-N 3.15Å; L144-S146 VanDerWaalsContact O-N 3.16Å; L144-I147 HydrophobicContact CB-CD1 4.28Å; L144-I147 HydrophobicContact CD2-CD1 3.78Å; L144-I147 VanDerWaalsContact O-CB 3.3Å; L144-I147 WeakPolarHBondContact O-CB 3.31Å; L144-I147 WeakPolarHBondContact O-CG1 3.29Å; L144-I147 PolarHBondContact O-N 3.09Å; L144-W152 HydrophobicContact CB-CD2 4.21Å; L144-W152 HydrophobicContact CB-CE3 4.09Å; L144-W152 HydrophobicContact CB-CH2 3.66Å; L144-W152 HydrophobicContact CB-CZ2 3.76Å; L144-W152 HydrophobicContact CB-CZ3 3.83Å; L144-W152 HydrophobicContact CD1-CE3 4.04Å; L144-W152 HydrophobicContact CD1-CH2 4.43Å; L144-W152 HydrophobicContact CD1-CZ3 3.82Å; L144-W152 HydrophobicContact CG-CZ3 4.49Å; L144-W152 VanDerWaalsContact O-CE2 3.3Å; L144-W152 WeakPolarHBondContact O-CZ2 3.14Å; L144-W152 PolarHBondContact O-NE1 3.48Å; L144-W152 VanDerWaalsContact O-NE1 3.15Å; L144-I154 HydrophobicContact CD1-CB 4.2Å; L144-I154 HydrophobicContact CD1-CD1 4.06Å
145D98.5Very high98.3Very high73 Ų7359.8 Ų59.839%0.3931%0.305SS..G310 helixtrans-68-9.4176.5-72.4-34.3000114.5R139 E143 R148 W152R139-D145 IonicContact CZ-OD1 2.74Å; R139-D145 IonicContact CZ-OD2 3.98Å; R139-D145 VanDerWaalsContact NE-CG 3.27Å; R139-D145 IonicContact NE-OD1 3.11Å; R139-D145 PolarHBondContact NE-OD1 2.65Å; R139-D145 IonicContact NE-OD2 3.07Å; R139-D145 PolarHBondContact NE-OD2 3.45Å; R139-D145 IonicContact NH2-OD1 3.59Å; R139-D145 PolarHBondContact NH2-OD1 2.95Å; R139-D145 IonicContact NH2-OD2 3.75Å; R139-D145 PolarHBondContact NH2-OD2 3.36Å; E143-D145 PolarHBondContact O-N 3.31Å; E143-D145 VanDerWaalsContact O-N 3.16Å; D145-R148 VanDerWaalsContact O-CZ 3.23Å; D145-R148 PolarHBondContact O-NH1 2.86Å; D145-R148 PolarHBondContact O-NH2 2.8Å; D145-W152 WeakPolarHBondContact OD1-CZ2 3.48Å
146S97.8Very high98.3Very high63 Ų6359 Ų5944%0.44130%0.302SS..G310 helixtrans-86.2-16.5170.774.20000112.6E143 L144 R148E143-S146 WeakPolarHBondContact O-CB 3.32Å; E143-S146 PolarHBondContact O-N 2.9Å; E143-S146 PolarHBondContact O-OG 3.14Å; L144-S146 PolarHBondContact O-N 3.15Å; L144-S146 VanDerWaalsContact O-N 3.16Å; S146-R148 PolarHBondContact O-N 2.82Å
147I98.1Very high98.3Very high10 Ų1054.2 Ų54.25%0.05128%0.276CS..  trans-70.2120.3-176.4-57.2169.5000109.2L110 L120 L144 H150L110-I147 HydrophobicContact CD1-CD1 3.53Å; L110-I147 HydrophobicContact CD1-CG1 3.73Å; L110-I147 HydrophobicContact CD1-CG2 4.14Å; L120-I147 HydrophobicContact CD2-CD1 4.03Å; L144-I147 HydrophobicContact CB-CD1 4.28Å; L144-I147 HydrophobicContact CD2-CD1 3.78Å; L144-I147 VanDerWaalsContact O-CB 3.3Å; L144-I147 WeakPolarHBondContact O-CB 3.31Å; L144-I147 WeakPolarHBondContact O-CG1 3.29Å; L144-I147 PolarHBondContact O-N 3.09Å; I147-H150 HydrophobicContact CG2-CB 4.37Å
148R96.6Very high98.3Very high195 Ų19552.8 Ų52.874%0.73626%0.264SS*.  trans-119.8-15.1173.5-61.1-67.4174.6-81.7-6.1112.6D145 S146D145-R148 VanDerWaalsContact O-CZ 3.23Å; D145-R148 PolarHBondContact O-NH1 2.86Å; D145-R148 PolarHBondContact O-NH2 2.8Å; S146-R148 PolarHBondContact O-N 2.82Å
149S95.6Very high98.3Very high75 Ų7552.9 Ų52.952%0.52427%0.265SS..SBendtrans-77.6-24.3-175.448.70000113.6
150H97.5Very high98.3Very high19 Ų1952.1 Ų52.19%0.08827%0.27CS..SBendtrans-136.9146.7-175.7-57.880.8000110.2L110 L115 A118 L120 I147L110-H150 PolarHBondContact O-CE1 3.37Å; L115-H150 PolarHBondContact O-NE2 2.64Å; A118-H150 PolarHBondContact O-CD2 3Å; A118-H150 VanDerWaalsContact O-CD2 3.24Å; L120-H150 HydrophobicContact CB-CB 4.49Å; I147-H150 HydrophobicContact CG2-CB 4.37Å
151H98Very high98.2Very high115 Ų11548.9 Ų48.953%0.53226%0.26SS..  trans-69.4137.4163.4-67.9-166000108.4L120 D175L120-H151 PolarHBondContact N-O 3.06Å; H151-D175 IonicContact CE1-OD1 3.96Å; H151-D175 IonicContact CG-OD1 3.84Å; H151-D175 IonicContact CG-OD2 2.66Å; H151-D175 IonicContact ND1-OD1 2.84Å; H151-D175 PolarHBondContact ND1-OD1 3.3Å; H151-D175 IonicContact ND1-OD2 3Å
152W98.8Very high98.2Very high54 Ų5448 Ų4821%0.20526%0.256CS..EExtended strand (participates in β ladder)trans-145.3155.5-177.468.1-93.8000113.7L120 I122 R139 L144 D145 I154 W171L120-W152 HydrophobicContact CB-CB 3.92Å; L120-W152 HydrophobicContact CD2-CB 3.93Å; L120-W152 HydrophobicContact CG-CB 4.11Å; L120-W152 WeakPolarHBondContact O-CA 3.4Å; I122-W152 HydrophobicContact CD1-CB 4.11Å; I122-W152 HydrophobicContact CD1-CE3 4.03Å; R139-W152 HydrophobicContact CG-CH2 4.12Å; L144-W152 HydrophobicContact CB-CD2 4.21Å; L144-W152 HydrophobicContact CB-CE3 4.09Å; L144-W152 HydrophobicContact CB-CH2 3.66Å; L144-W152 HydrophobicContact CB-CZ2 3.76Å; L144-W152 HydrophobicContact CB-CZ3 3.83Å; L144-W152 HydrophobicContact CD1-CE3 4.04Å; L144-W152 HydrophobicContact CD1-CH2 4.43Å; L144-W152 HydrophobicContact CD1-CZ3 3.82Å; L144-W152 HydrophobicContact CG-CZ3 4.49Å; L144-W152 VanDerWaalsContact O-CE2 3.3Å; L144-W152 WeakPolarHBondContact O-CZ2 3.14Å; L144-W152 PolarHBondContact O-NE1 3.48Å; L144-W152 VanDerWaalsContact O-NE1 3.15Å; D145-W152 WeakPolarHBondContact OD1-CZ2 3.48Å; W152-I154 HydrophobicContact CZ3-CG2 4.15Å; W152-W171 VanDerWaalsContact C-CZ2 3.49Å
153C98.7Very high98.1Very high31 Ų3153.8 Ų53.821%0.20928%0.283CS..EExtended strand (participates in β ladder)trans-145.2148.7169.2179.80000109.7L120 I122 W171L120-C153 PolarHBondContact O-N 2.99Å; I122-C153 WeakPolarHBondContact CD1-O 2.93Å; I122-C153 PolarHBondContact N-O 2.88Å; C153-W171 HydrophobicContact CB-CD2 3.35Å; C153-W171 HydrophobicContact CB-CE3 3.49Å; C153-W171 VanDerWaalsContact CB-CE3 3.49Å; C153-W171 HydrophobicContact CB-CG 4.12Å; C153-W171 HydrophobicContact CB-CH2 3.53Å; C153-W171 HydrophobicContact CB-CZ2 3.36Å; C153-W171 HydrophobicContact CB-CZ3 3.58Å
154I98.9Very high98.1Very high25 Ų2551.6 Ų51.613%0.12828%0.275CS..EExtended strand (participates in β ladder)trans-110.1128.5171.8-175.5163.2000110.3I122 A124 S135 I138 L144 W152I122-I154 HydrophobicContact CB-CB 4.14Å; I122-I154 HydrophobicContact CB-CD1 4.49Å; I122-I154 HydrophobicContact CB-CG1 4.09Å; I122-I154 HydrophobicContact CG2-CD1 4.05Å; I122-I154 HydrophobicContact CG2-CG1 4.04Å; I122-I154 CarbonylContact O-C 3.6Å; I122-I154 WeakPolarHBondContact O-CA 3.45Å; A124-I154 HydrophobicContact CB-CD1 4.16Å; A124-I154 HydrophobicContact CB-CG1 4.16Å; S135-I154 WeakPolarHBondContact O-CD1 3.49Å; I138-I154 HydrophobicContact CB-CD1 3.99Å; I138-I154 HydrophobicContact CG2-CD1 3.76Å; L144-I154 HydrophobicContact CD1-CB 4.2Å; L144-I154 HydrophobicContact CD1-CD1 4.06Å; W152-I154 HydrophobicContact CZ3-CG2 4.15Å
155Q98.9Very high98.1Very high47 Ų4751.8 Ų51.822%0.2228%0.276CS..EExtended strand (participates in β ladder)trans-120.8115.4177.9-177.160.762.400109.3L121 I122 F123 A124 N164L121-Q155 HydrophobicContact CD1-CB 4.32Å; I122-Q155 PolarHBondContact O-N 3.44Å; F123-Q155 HydrophobicContact CD1-CB 4.05Å; F123-Q155 HydrophobicContact CD1-CG 4.29Å; F123-Q155 HydrophobicContact CE1-CB 4.13Å; F123-Q155 HydrophobicContact CE1-CG 4.08Å; A124-Q155 PolarHBondContact N-O 2.79Å; Q155-N164 HydrophobicContact CG-CB 4.39Å; Q155-N164 VanDerWaalsContact CG-O 3.28Å; Q155-N164 WeakPolarHBondContact CG-O 3.16Å
156G98.8Very high98.1Very high12 Ų1252.5 Ų52.512%0.12428%0.279CS..EExtended strand (participates in β ladder)trans-65.7130166.100000109.9A124 S135 N164A124-G156 WeakPolarHBondContact O-CA 3.27Å; S135-G156 WeakPolarHBondContact OG-CA 3.35Å; S135-G156 PolarHBondContact OG-N 2.9Å; G156-N164 WeakPolarHBondContact O-CB 3.46Å
157C98.9Very high98.1Very high2 Ų252.5 Ų52.51%0.01428%0.277CS..  trans-151.3169.8-177.269.90000113.1F123 A124 N125 K126 Q127 E163 N164 L165F123-C157 HydrophobicContact CD1-CB 4.07Å; F123-C157 WeakPolarHBondContact CD1-SG 3.25Å; F123-C157 HydrophobicContact CE1-CB 4.43Å; A124-C157 PolarHBondContact O-N 2.9Å; N125-C157 CarbonylContact C-O 3.59Å; N125-C157 WeakPolarHBondContact CA-O 3.44Å; K126-C157 PolarHBondContact N-O 3Å; K126-C157 VanDerWaalsContact N-O 3.11Å; Q127-C157 WeakPolarHBondContact CB-O 3.43Å; Q127-C157 WeakPolarHBondContact CG-O 3.46Å; Q127-C157 PolarHBondContact N-O 3.46Å; Q127-C157 VanDerWaalsContact N-O 3.09Å; C157-E163 WeakPolarHBondContact CA-O 3.38Å; C157-E163 WeakPolarHBondContact CB-O 3.46Å; C157-N164 HydrophobicContact CB-CB 4.26Å; C157-L165 HydrophobicContact CB-CD2 3.87Å
158S98.8Very high98.1Very high2 Ų252 Ų521%0.01428%0.275CS..BIsolated β-bridgetrans-133.5110.3171.2167.30000109.3D128 V160 T161 G162 E163D128-S158 VanDerWaalsContact CG-OG 3.29Å; D128-S158 WeakPolarHBondContact OD1-CB 3.38Å; D128-S158 PolarHBondContact OD1-OG 2.99Å; S158-V160 PolarHBondContact O-N 3.42Å; S158-V160 VanDerWaalsContact OG-CG2 3.25Å; S158-V160 WeakPolarHBondContact OG-CG2 3.2Å; S158-T161 WeakPolarHBondContact CB-OG1 3.38Å; S158-T161 PolarHBondContact O-N 3.43Å; S158-T161 PolarHBondContact O-OG1 3.44Å; S158-T161 PolarHBondContact OG-N 3.16Å; S158-T161 PolarHBondContact OG-OG1 3.36Å; S158-G162 CarbonylContact O-C 3.43Å; S158-G162 VanDerWaalsContact O-CA 3.32Å; S158-G162 WeakPolarHBondContact O-CA 3.39Å; S158-G162 PolarHBondContact O-N 2.96Å; S158-E163 PolarHBondContact N-O 3.41Å; S158-E163 PolarHBondContact O-N 3.28Å
159A98.4Very high98.2Very high2 Ų242.9 Ų42.92%0.01724%0.241CC..THydrogen-bonded Turntrans-62.2-33178.200000112.6T31 I32 K35 N125T31-A159 HydrophobicContact CG2-CB 3.75Å; I32-A159 HydrophobicContact CB-CB 4.48Å; I32-A159 HydrophobicContact CD1-CB 4.44Å; I32-A159 HydrophobicContact CG1-CB 3.45Å; I32-A159 VanDerWaalsContact CG1-CB 3.45Å; K35-A159 WeakPolarHBondContact CD-O 3.32Å; K35-A159 WeakPolarHBondContact CG-O 3.3Å; N125-A159 WeakPolarHBondContact OD1-CB 3.38Å; N125-A159 PolarHBondContact OD1-N 3.33Å
160V98Very high98.3Very high72 Ų7241.4 Ų41.444%0.43623%0.227SC..THydrogen-bonded Turntrans-72.1-41.9-177-66.30000111.6T31 K35 I41 D128 S158T31-V160 HydrophobicContact CG2-CG1 4.39Å; K35-V160 PolarHBondContact NZ-O 2.79Å; I41-V160 HydrophobicContact CD1-CB 4.37Å; I41-V160 HydrophobicContact CD1-CG1 4.5Å; D128-V160 HydrophobicContact CB-CG2 4.47Å; D128-V160 WeakPolarHBondContact OD1-CG2 3.32Å; D128-V160 WeakPolarHBondContact OD2-CG2 3.39Å; S158-V160 PolarHBondContact O-N 3.42Å; S158-V160 VanDerWaalsContact OG-CG2 3.25Å; S158-V160 WeakPolarHBondContact OG-CG2 3.2Å
161T97.5Very high98.4Very high79 Ų7944 Ų4449%0.48524%0.236SC..THydrogen-bonded Turntrans-81.1-32.3175.661.30000111.8K35 S158 E163K35-T161 VanDerWaalsContact CE-O 3.26Å; K35-T161 WeakPolarHBondContact CE-O 3.19Å; K35-T161 PolarHBondContact NZ-O 2.74Å; S158-T161 WeakPolarHBondContact CB-OG1 3.38Å; S158-T161 PolarHBondContact O-N 3.43Å; S158-T161 PolarHBondContact O-OG1 3.44Å; S158-T161 PolarHBondContact OG-N 3.16Å; S158-T161 PolarHBondContact OG-OG1 3.36Å; T161-E163 WeakPolarHBondContact OG1-CB 3.1Å; T161-E163 PolarHBondContact OG1-N 3.31Å; T161-E163 VanDerWaalsContact OG1-N 3.17Å
162G97.7Very high98.4Very high26 Ų2638.5 Ų38.527%0.26821%0.211SC..THydrogen-bonded Turntrans90.71.1-170.200000113.4S158 N164S158-G162 CarbonylContact O-C 3.43Å; S158-G162 VanDerWaalsContact O-CA 3.32Å; S158-G162 WeakPolarHBondContact O-CA 3.39Å; S158-G162 PolarHBondContact O-N 2.96Å; G162-N164 PolarHBondContact O-N 3.2Å
163E98.3Very high98.3Very high120 Ų12036 Ų3656%0.56120%0.201SC*.BIsolated β-bridgetrans-63.4134-177.1-158.8-167.6142.900111.3C157 S158 T161 L165C157-E163 WeakPolarHBondContact CA-O 3.38Å; C157-E163 WeakPolarHBondContact CB-O 3.46Å; S158-E163 PolarHBondContact N-O 3.41Å; S158-E163 PolarHBondContact O-N 3.28Å; T161-E163 WeakPolarHBondContact OG1-CB 3.1Å; T161-E163 PolarHBondContact OG1-N 3.31Å; T161-E163 VanDerWaalsContact OG1-N 3.17Å; E163-L165 PolarHBondContact O-N 3.5Å; E163-L165 VanDerWaalsContact O-N 3.07Å
164N98Very high98.2Very high61 Ų6138.4 Ų38.433%0.32621%0.212SC..THydrogen-bonded Turntrans59.815.5173.7-58.2-40.4000116.2Q155 G156 C157 G162Q155-N164 HydrophobicContact CG-CB 4.39Å; Q155-N164 VanDerWaalsContact CG-O 3.28Å; Q155-N164 WeakPolarHBondContact CG-O 3.16Å; G156-N164 WeakPolarHBondContact O-CB 3.46Å; C157-N164 HydrophobicContact CB-CB 4.26Å; G162-N164 PolarHBondContact O-N 3.2Å
165L98.3Very high98.1Very high4 Ų438.2 Ų38.22%0.02121%0.211CC..Hα-helixtrans-70.2-49.3172.3-64.8-177.7000112.2I32 K35 F36 F123 C157 E163 G168 I169I32-L165 HydrophobicContact CD1-CD2 4.32Å; I32-L165 HydrophobicContact CG1-CD2 4.02Å; I32-L165 HydrophobicContact CG2-CD1 4.48Å; I32-L165 HydrophobicContact CG2-CD2 4.18Å; K35-L165 HydrophobicContact CB-CD1 4.1Å; K35-L165 HydrophobicContact CG-CD1 3.93Å; F36-L165 HydrophobicContact CE1-CB 3.57Å; F36-L165 HydrophobicContact CE1-CD1 4.38Å; F36-L165 HydrophobicContact CZ-CB 3.7Å; F36-L165 HydrophobicContact CZ-CD1 4.48Å; F123-L165 HydrophobicContact CE1-CD2 4.31Å; F123-L165 HydrophobicContact CZ-CD2 4.33Å; F123-L165 WeakPolarHBondContact CZ-O 3.46Å; C157-L165 HydrophobicContact CB-CD2 3.87Å; E163-L165 PolarHBondContact O-N 3.5Å; E163-L165 VanDerWaalsContact O-N 3.07Å; L165-G168 PolarHBondContact O-N 3.01Å; L165-I169 PolarHBondContact O-N 3.26Å
166L97.9Very high97.8Very high89 Ų8936 Ų3647%0.46620%0.201SC..Hα-helixtrans-62.9-45.3-178.5-73.8175.6000113.5F36 G168 I169 D170F36-L166 HydrophobicContact CD1-CD2 4.38Å; F36-L166 HydrophobicContact CE1-CD2 4.1Å; L166-G168 PolarHBondContact O-N 2.86Å; L166-I169 CarbonylContact O-C 3.56Å; L166-I169 PolarHBondContact O-N 2.87Å; L166-D170 PolarHBondContact O-N 3.29Å
167P98.4Very high97.4Very high62 Ų6236.5 Ų36.540%0.40320%0.202SC..Hα-helixtrans-53.4-39.5175-29.235.6000114.1D170 W171P167-D170 PolarHBondContact O-N 3.39Å; P167-W171 PolarHBondContact O-N 3.28Å
168G98.4Very high96.9Very high0 Ų039.2 Ų39.20%022%0.221CC..Hα-helixtrans-64.8-42.7175.900000112.7L121 L165 L166 L172L121-G168 WeakPolarHBondContact CD2-O 3.28Å; L165-G168 PolarHBondContact O-N 3.01Å; L166-G168 PolarHBondContact O-N 2.86Å; G168-L172 WeakPolarHBondContact O-CB 3.12Å; G168-L172 PolarHBondContact O-N 3.14Å
169I98.3Very high96.1Very high4 Ų443 Ų432%0.02124%0.235CC..Hα-helixtrans-66.9-38175.4-63-59.7000111.5F36 L62 I88 L121 F123 L165 L166 L172 L173F36-I169 HydrophobicContact CE1-CG1 3.95Å; F36-I169 HydrophobicContact CE2-CD1 4.16Å; F36-I169 HydrophobicContact CE2-CG1 4.04Å; F36-I169 HydrophobicContact CZ-CD1 3.95Å; F36-I169 HydrophobicContact CZ-CG1 3.35Å; L62-I169 HydrophobicContact CD1-CG2 4.01Å; I88-I169 HydrophobicContact CD1-CD1 3.84Å; L121-I169 HydrophobicContact CD2-CD1 4.17Å; F123-I169 HydrophobicContact CE2-CD1 4.33Å; F123-I169 HydrophobicContact CZ-CD1 4.33Å; F123-I169 HydrophobicContact CZ-CG1 4.38Å; L165-I169 PolarHBondContact O-N 3.26Å; L166-I169 CarbonylContact O-C 3.56Å; L166-I169 PolarHBondContact O-N 2.87Å; I169-L172 HydrophobicContact CD1-CD2 4.4Å; I169-L172 WeakPolarHBondContact O-CB 3.48Å; I169-L172 PolarHBondContact O-N 3.32Å; I169-L173 HydrophobicContact CG2-CD1 4.13Å; I169-L173 HydrophobicContact CG2-CG 4.25Å; I169-L173 WeakPolarHBondContact O-CB 3.25Å; I169-L173 WeakPolarHBondContact O-CG 3.39Å; I169-L173 PolarHBondContact O-N 3.34Å
170D98.3Very high95Very high43 Ų4343.9 Ų43.923%0.2324%0.24CC..Hα-helixtrans-61.9-46.2177.7-76.9-35.2000111.6H57 R58 L166 P167 L172 L173 D174H57-D170 IonicContact CD2-OD1 2.87Å; H57-D170 IonicContact CE1-OD1 2.64Å; H57-D170 IonicContact NE2-OD1 2.65Å; H57-D170 PolarHBondContact NE2-OD1 3.38Å; H57-D170 IonicContact NE2-OD2 3.38Å; R58-D170 WeakPolarHBondContact CD-OD1 3.49Å; R58-D170 IonicContact CZ-OD1 3.82Å; R58-D170 IonicContact NE-OD1 3.79Å; R58-D170 PolarHBondContact NH1-O 3.11Å; R58-D170 IonicContact NH1-OD1 2.97Å; R58-D170 PolarHBondContact NH1-OD1 2.66Å; L166-D170 PolarHBondContact O-N 3.29Å; P167-D170 PolarHBondContact O-N 3.39Å; D170-L172 VanDerWaalsContact C-N 3.34Å; D170-L172 PolarHBondContact O-N 3.46Å; D170-L173 PolarHBondContact O-N 3.48Å; D170-D174 PolarHBondContact O-N 3.04Å
171W98.5Very high93.5Very high73 Ų7342.7 Ų42.728%0.27723%0.229SC..Hα-helixtrans-59.3-45.3173.2173.786.4000111.8T119 L120 L121 W152 C153 P167 L173 D174 D175T119-W171 HydrophobicContact CG2-CH2 3.42Å; T119-W171 VanDerWaalsContact CG2-CH2 3.42Å; T119-W171 HydrophobicContact CG2-CZ2 4.41Å; T119-W171 HydrophobicContact CG2-CZ3 3.54Å; L120-W171 WeakPolarHBondContact O-CZ3 3.42Å; L121-W171 HydrophobicContact CB-CZ3 4.25Å; L121-W171 HydrophobicContact CD1-CE3 4.05Å; L121-W171 HydrophobicContact CD1-CZ3 4.37Å; W152-W171 VanDerWaalsContact C-CZ2 3.49Å; C153-W171 HydrophobicContact CB-CD2 3.35Å; C153-W171 HydrophobicContact CB-CE3 3.49Å; C153-W171 VanDerWaalsContact CB-CE3 3.49Å; C153-W171 HydrophobicContact CB-CG 4.12Å; C153-W171 HydrophobicContact CB-CH2 3.53Å; C153-W171 HydrophobicContact CB-CZ2 3.36Å; C153-W171 HydrophobicContact CB-CZ3 3.58Å; P167-W171 PolarHBondContact O-N 3.28Å; W171-L173 VanDerWaalsContact C-N 3.32Å; W171-L173 PolarHBondContact O-N 3.42Å; W171-D174 PolarHBondContact O-N 2.75Å; W171-D175 HydrophobicContact CZ2-CB 4.37Å; W171-D175 PolarHBondContact O-N 3.18Å
172L98.3Very high91.6Very high1 Ų143.9 Ų43.91%0.00524%0.236CC..Hα-helixtrans-59.8-44.3179.3177.662.8000111.2L19 I88 T119 L121 G168 I169 D170 I176L19-L172 HydrophobicContact CD1-CD2 4.11Å; L19-L172 HydrophobicContact CD2-CD2 4.05Å; I88-L172 HydrophobicContact CD1-CD2 4.11Å; I88-L172 HydrophobicContact CG1-CD2 3.88Å; T119-L172 HydrophobicContact CG2-CD1 3.44Å; T119-L172 VanDerWaalsContact CG2-CD1 3.44Å; L121-L172 HydrophobicContact CB-CB 4.44Å; L121-L172 HydrophobicContact CB-CD1 4.22Å; L121-L172 HydrophobicContact CB-CD2 4.25Å; L121-L172 HydrophobicContact CD2-CB 4.26Å; L121-L172 HydrophobicContact CD2-CD2 4.17Å; G168-L172 WeakPolarHBondContact O-CB 3.12Å; G168-L172 PolarHBondContact O-N 3.14Å; I169-L172 HydrophobicContact CD1-CD2 4.4Å; I169-L172 WeakPolarHBondContact O-CB 3.48Å; I169-L172 PolarHBondContact O-N 3.32Å; D170-L172 VanDerWaalsContact C-N 3.34Å; D170-L172 PolarHBondContact O-N 3.46Å; L172-I176 HydrophobicContact CD1-CD1 3.81Å; L172-I176 HydrophobicContact CD1-CG1 4.28Å; L172-I176 HydrophobicContact CG-CD1 3.85Å; L172-I176 WeakPolarHBondContact O-CB 3.49Å; L172-I176 WeakPolarHBondContact O-CG1 3.37Å; L172-I176 PolarHBondContact O-N 3.31Å
173L96.8Very high89.3Confident1 Ų145 Ų451%0.00524%0.243CC..Hα-helixtrans-63.4-42.6177.2-78.7179.8000112.4L17 F60 L62 I169 D170 W171 S177L17-L173 HydrophobicContact CD1-CD2 3.35Å; F60-L173 HydrophobicContact CB-CD2 4.25Å; F60-L173 HydrophobicContact CD2-CD1 4.07Å; F60-L173 HydrophobicContact CD2-CD2 3.83Å; F60-L173 HydrophobicContact CD2-CG 4.46Å; F60-L173 HydrophobicContact CE2-CD2 4.3Å; F60-L173 HydrophobicContact CG-CD2 3.98Å; L62-L173 HydrophobicContact CD2-CD2 3.67Å; I169-L173 HydrophobicContact CG2-CD1 4.13Å; I169-L173 HydrophobicContact CG2-CG 4.25Å; I169-L173 WeakPolarHBondContact O-CB 3.25Å; I169-L173 WeakPolarHBondContact O-CG 3.39Å; I169-L173 PolarHBondContact O-N 3.34Å; D170-L173 PolarHBondContact O-N 3.48Å; W171-L173 VanDerWaalsContact C-N 3.32Å; W171-L173 PolarHBondContact O-N 3.42Å; L173-S177 WeakPolarHBondContact O-CB 3.43Å; L173-S177 PolarHBondContact O-N 3.12Å; L173-S177 PolarHBondContact O-OG 2.69Å
174D96.3Very high86.8Confident81 Ų8150.2 Ų50.243%0.43328%0.275SS..Hα-helixtrans-65.4-44.5-179.3-68.6-18.2000111R58 D170 W171 S177 S178R58-D174 IonicContact CZ-OD1 3.33Å; R58-D174 IonicContact NH1-OD1 3.95Å; R58-D174 PolarHBondContact NH1-OD1 3.5Å; R58-D174 VanDerWaalsContact NH1-OD1 3.11Å; R58-D174 IonicContact NH1-OD2 3.5Å; R58-D174 IonicContact NH2-OD1 2.68Å; R58-D174 PolarHBondContact NH2-OD1 3.25Å; R58-D174 IonicContact NH2-OD2 3.19Å; D170-D174 PolarHBondContact O-N 3.04Å; W171-D174 PolarHBondContact O-N 2.75Å; D174-S177 PolarHBondContact O-N 2.85Å; D174-S178 PolarHBondContact O-N 3.03Å
175D96.4Very high86.3Confident22 Ų2249.7 Ų49.712%0.11827%0.272CS..Hα-helixtrans-65-48.8177.3-17679.3000112T119 H151 W171 S177 S178 R179T119-D175 WeakPolarHBondContact CB-OD2 3.27Å; T119-D175 HydrophobicContact CG2-CB 3.93Å; T119-D175 WeakPolarHBondContact CG2-OD2 3.43Å; T119-D175 PolarHBondContact OG1-OD2 3.02Å; H151-D175 IonicContact CE1-OD1 3.96Å; H151-D175 IonicContact CG-OD1 3.84Å; H151-D175 IonicContact CG-OD2 2.66Å; H151-D175 IonicContact ND1-OD1 2.84Å; H151-D175 PolarHBondContact ND1-OD1 3.3Å; H151-D175 IonicContact ND1-OD2 3Å; W171-D175 HydrophobicContact CZ2-CB 4.37Å; W171-D175 PolarHBondContact O-N 3.18Å; D175-S177 PolarHBondContact O-N 3.02Å; D175-S178 PolarHBondContact O-N 3.11Å; D175-S178 VanDerWaalsContact O-N 3.16Å; D175-S178 PolarHBondContact O-OG 2.64Å; D175-R179 PolarHBondContact O-N 2.99Å; D175-R179 VanDerWaalsContact O-N 3.15Å; D175-R179 IonicContact OD2-NH1 3.93Å
176I94Very high85.6Confident0 Ų052.1 Ų52.10%029%0.285CS..Hα-helixtrans-57.1-42.5175.2-69.4171000110.2L17 L19 D85 T119 L172 S178 R179 I180L17-I176 HydrophobicContact CD1-CD1 4.47Å; L17-I176 HydrophobicContact CD1-CG2 4.02Å; L17-I176 HydrophobicContact CD2-CG2 3.68Å; L19-I176 HydrophobicContact CD2-CD1 4Å; D85-I176 HydrophobicContact CB-CD1 4.29Å; D85-I176 HydrophobicContact CB-CG2 4.44Å; T119-I176 WeakPolarHBondContact OG1-CG1 3.25Å; L172-I176 HydrophobicContact CD1-CD1 3.81Å; L172-I176 HydrophobicContact CD1-CG1 4.28Å; L172-I176 HydrophobicContact CG-CD1 3.85Å; L172-I176 WeakPolarHBondContact O-CB 3.49Å; L172-I176 WeakPolarHBondContact O-CG1 3.37Å; L172-I176 PolarHBondContact O-N 3.31Å; I176-S178 PolarHBondContact O-N 2.99Å; I176-R179 PolarHBondContact O-N 2.78Å; I176-I180 HydrophobicContact CG2-CD1 3.5Å; I176-I180 HydrophobicContact CG2-CG1 4.2Å; I176-I180 WeakPolarHBondContact O-CB 3.4Å; I176-I180 WeakPolarHBondContact O-CG1 3.43Å; I176-I180 PolarHBondContact O-N 3.36Å
177S89.9Confident84.9Confident22 Ų2250 Ų5015%0.15428%0.275CS..Hα-helixtrans-64.8-41.3-179.9-65.50000112.1F60 L173 D174 D175 R179 I180 F181 T182F60-S177 WeakPolarHBondContact CZ-OG 3.47Å; L173-S177 WeakPolarHBondContact O-CB 3.43Å; L173-S177 PolarHBondContact O-N 3.12Å; L173-S177 PolarHBondContact O-OG 2.69Å; D174-S177 PolarHBondContact O-N 2.85Å; D175-S177 PolarHBondContact O-N 3.02Å; S177-R179 VanDerWaalsContact C-N 3.26Å; S177-R179 PolarHBondContact O-N 3.38Å; S177-I180 PolarHBondContact O-N 3.2Å; S177-F181 VanDerWaalsContact CA-CD2 3.41Å; S177-F181 WeakPolarHBondContact O-CA 3.43Å; S177-F181 VanDerWaalsContact O-CB 3.31Å; S177-F181 WeakPolarHBondContact O-CB 3.5Å; S177-F181 PolarHBondContact O-N 2.84Å; S177-T182 PolarHBondContact O-OG1 3.26Å
178S87.8Confident84.1Confident59 Ų5949.3 Ų49.341%0.41327%0.268SS..Hα-helixtrans-60.1-38.3177.178.50000112.1D174 D175 I176 T182D174-S178 PolarHBondContact O-N 3.03Å; D175-S178 PolarHBondContact O-N 3.11Å; D175-S178 VanDerWaalsContact O-N 3.16Å; D175-S178 PolarHBondContact O-OG 2.64Å; I176-S178 PolarHBondContact O-N 2.99Å; S178-T182 VanDerWaalsContact CA-OG1 3.27Å; S178-T182 WeakPolarHBondContact CA-OG1 3.43Å; S178-T182 WeakPolarHBondContact O-CB 3.19Å; S178-T182 PolarHBondContact O-OG1 2.8Å; S178-T182 VanDerWaalsContact O-OG1 3.06Å
179R83.2Confident83.3Confident81 Ų8152.4 Ų52.431%0.30628%0.284SS..Hα-helixtrans-75.8-44.3180-175.1179.264.2-111.34.1112.7D85 G117 T119 D175 I176 S177D85-R179 PolarHBondContact O-NH2 3.39Å; G117-R179 PolarHBondContact O-NE 3.35Å; G117-R179 PolarHBondContact O-NH1 3.42Å; G117-R179 PolarHBondContact O-NH2 2.82Å; T119-R179 PolarHBondContact OG1-NH1 2.77Å; D175-R179 PolarHBondContact O-N 2.99Å; D175-R179 VanDerWaalsContact O-N 3.15Å; D175-R179 IonicContact OD2-NH1 3.93Å; I176-R179 PolarHBondContact O-N 2.78Å; S177-R179 VanDerWaalsContact C-N 3.26Å; S177-R179 PolarHBondContact O-N 3.38Å
180I74.9Confident82.3Confident21 Ų2155.6 Ų55.611%0.10830%0.302CS..Hα-helixtrans-87-38.5-172-59.3-179.5000111.7K8 Q12 L17 I176 S177K8-I180 WeakPolarHBondContact CE-O 3.38Å; Q12-I180 PolarHBondContact NE2-O 3.32Å; L17-I180 HydrophobicContact CD2-CD1 4.27Å; I176-I180 HydrophobicContact CG2-CD1 3.5Å; I176-I180 HydrophobicContact CG2-CG1 4.2Å; I176-I180 WeakPolarHBondContact O-CB 3.4Å; I176-I180 WeakPolarHBondContact O-CG1 3.43Å; I176-I180 PolarHBondContact O-N 3.36Å; S177-I180 PolarHBondContact O-N 3.2Å
181F66.2Low81.1Confident48 Ų4856.5 Ų56.521%0.21131%0.307CS..Hα-helixtrans-101.8-17.7-168.6-52.2-54.2000114.7Q12 F60 S177Q12-F181 VanDerWaalsContact CA-CE1 3.46Å; Q12-F181 HydrophobicContact CB-CD1 3.8Å; Q12-F181 HydrophobicContact CB-CE1 3.9Å; Q12-F181 HydrophobicContact CG-CD1 3.49Å; Q12-F181 VanDerWaalsContact CG-CD1 3.49Å; Q12-F181 HydrophobicContact CG-CE1 3.81Å; F60-F181 AromaticContact CE1-CE2 3.61Å; F60-F181 HydrophobicContact CE1-CE2 3.61Å; F60-F181 HydrophobicContact CE1-CZ 4.11Å; F60-F181 AromaticContact CZ-CE2 3.98Å; F60-F181 HydrophobicContact CZ-CE2 3.98Å; S177-F181 VanDerWaalsContact CA-CD2 3.41Å; S177-F181 WeakPolarHBondContact O-CA 3.43Å; S177-F181 VanDerWaalsContact O-CB 3.31Å; S177-F181 WeakPolarHBondContact O-CB 3.5Å; S177-F181 PolarHBondContact O-N 2.84Å
182T57.7Low79.8Confident104 Ų10455.2 Ų55.264%0.63831%0.309SS*.SBendtrans-109-2.2-173.7-17.50000114.4S177 S178 D184S177-T182 PolarHBondContact O-OG1 3.26Å; S178-T182 VanDerWaalsContact CA-OG1 3.27Å; S178-T182 WeakPolarHBondContact CA-OG1 3.43Å; S178-T182 WeakPolarHBondContact O-CB 3.19Å; S178-T182 PolarHBondContact O-OG1 2.8Å; S178-T182 VanDerWaalsContact O-OG1 3.06Å; T182-D184 PolarHBondContact O-N 3.49Å; T182-D184 VanDerWaalsContact O-N 3.11Å
183A48.9Very low78.2Confident50 Ų5059.8 Ų59.841%0.41334%0.335SS..  trans-80.186168.300000110.1K8K8-A183 PolarHBondContact NZ-O 3.12Å
184D46.8Very low76.5Confident228 Ų22865.1 Ų65.1100%1.21937%0.365SS*.  trans-85.40156.4-79.2-31.4000110.4T182T182-D184 PolarHBondContact O-N 3.49Å; T182-D184 VanDerWaalsContact O-N 3.11Å

Retrieved 184 of 184 residues in 1958.6 ms (Link to these results)

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