A0A096NF10_PAPAN Loading...

Translationally-controlled tumor protein

Involved in calcium binding and microtubule stabilization. Acts as a negative regulator of TSC22D1-mediated apoptosis, via interaction with and destabilization of TSC22D1 protein.

AlphaFold DB (A5A6K2), UniProt , Accession A0A096NF10, Species PAPAN (Papio anubis, Olive baboon), Gene TPT1, Length 172 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
1M90.9Very high97.4Very high117 Ų11737.7 Ų37.758%0.57618%0.179SC*.  0146.20176.7177.265.100107I3 D16 C172M1-I3 HydrophobicContact CE-CD1 3.61Å; M1-I3 HydrophobicContact CE-CG1 4.09Å; M1-I3 HydrophobicContact CG-CD1 4.1Å; M1-I3 HydrophobicContact SD-CD1 3.96Å; M1-D16 WeakPolarHBondContact CG-OD1 3.26Å; M1-C172 HydrophobicContact CB-CB 4.46Å; M1-C172 HydrophobicContact CE-CB 4.28Å; M1-C172 PolarHBondContact N-O 3.49Å; M1-C172 PolarHBondContact O-N 2.86Å
2I97.2Very high97.5Very high41 Ų4139.6 Ų39.621%0.2119%0.187CC..EExtended strand (participates in β ladder)trans-110.1123.7175-57.5173.5000108Y4 S15 D16 M169 E170 K171I2-Y4 HydrophobicContact CB-CE2 4.39Å; I2-Y4 HydrophobicContact CG2-CD2 4.31Å; I2-Y4 HydrophobicContact CG2-CE2 3.86Å; I2-S15 CarbonylContact O-C 3.59Å; I2-S15 WeakPolarHBondContact O-CA 3.47Å; I2-S15 WeakPolarHBondContact O-CB 3.41Å; I2-D16 HydrophobicContact CB-CB 3.95Å; I2-D16 WeakPolarHBondContact CG1-OD2 3.43Å; I2-D16 PolarHBondContact N-OD1 2.88Å; I2-D16 PolarHBondContact N-OD2 3.17Å; I2-D16 VanDerWaalsContact N-OD2 3.14Å; I2-D16 PolarHBondContact O-N 3.33Å; I2-M169 HydrophobicContact CG2-CB 4.1Å; I2-M169 HydrophobicContact CG2-CG 4.3Å; I2-E170 CarbonylContact C-O 3.51Å; I2-E170 WeakPolarHBondContact CA-O 3.35Å; I2-K171 HydrophobicContact CG1-CG 4.28Å
3I98.1Very high97.6Very high2 Ų236.5 Ų36.51%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-98.8133.6171.6-59.4-53000108.7M1 R5 E12 E170M1-I3 HydrophobicContact CE-CD1 3.61Å; M1-I3 HydrophobicContact CE-CG1 4.09Å; M1-I3 HydrophobicContact CG-CD1 4.1Å; M1-I3 HydrophobicContact SD-CD1 3.96Å; I3-R5 HydrophobicContact CG2-CG 3.95Å; I3-E12 WeakPolarHBondContact CD1-OE1 3.44Å; I3-E12 HydrophobicContact CG2-CB 4.07Å; I3-E12 HydrophobicContact CG2-CG 3.54Å; I3-E170 HydrophobicContact CB-CB 4.43Å; I3-E170 PolarHBondContact N-O 3.14Å; I3-E170 PolarHBondContact O-N 3.49Å
4Y98.7Very high97.6Very high30 Ų3033.9 Ų33.912%0.11816%0.161CC..EExtended strand (participates in β ladder)trans-102.3111.9173.8-66.6-98.1000108.3I2 M13 F14 D16 I20 L29 L167 E168 M169I2-Y4 HydrophobicContact CB-CE2 4.39Å; I2-Y4 HydrophobicContact CG2-CD2 4.31Å; I2-Y4 HydrophobicContact CG2-CE2 3.86Å; Y4-M13 WeakPolarHBondContact O-CB 3.31Å; Y4-M13 PolarHBondContact O-N 3.37Å; Y4-F14 AromaticContact CD1-CE2 3.93Å; Y4-F14 HydrophobicContact CD1-CE2 3.93Å; Y4-F14 AromaticContact CD1-CZ 3.75Å; Y4-F14 HydrophobicContact CD1-CZ 3.75Å; Y4-F14 AromaticContact CD2-CD2 3.6Å; Y4-F14 HydrophobicContact CD2-CD2 3.6Å; Y4-F14 AromaticContact CD2-CE2 3.22Å; Y4-F14 HydrophobicContact CD2-CE2 3.22Å; Y4-F14 HydrophobicContact CD2-CG 4.48Å; Y4-F14 AromaticContact CD2-CZ 3.86Å; Y4-F14 HydrophobicContact CD2-CZ 3.86Å; Y4-F14 HydrophobicContact CE1-CE2 4.31Å; Y4-F14 HydrophobicContact CE1-CZ 4.38Å; Y4-F14 HydrophobicContact CE2-CD2 4.25Å; Y4-F14 AromaticContact CE2-CE2 3.68Å; Y4-F14 HydrophobicContact CE2-CE2 3.68Å; Y4-F14 HydrophobicContact CE2-CZ 4.48Å; Y4-F14 AromaticContact CG-CD2 3.99Å; Y4-F14 HydrophobicContact CG-CD2 3.99Å; Y4-F14 HydrophobicContact CG-CE1 4.15Å; Y4-F14 AromaticContact CG-CE2 3.36Å; Y4-F14 HydrophobicContact CG-CE2 3.36Å; Y4-F14 AromaticContact CG-CZ 3.45Å; Y4-F14 HydrophobicContact CG-CZ 3.45Å; Y4-F14 VanDerWaalsContact CG-CZ 3.45Å; Y4-F14 PolarHBondContact N-O 3.21Å; Y4-F14 PolarHBondContact O-N 3.25Å; Y4-D16 HydrophobicContact CE2-CB 4.39Å; Y4-I20 HydrophobicContact CD2-CD1 4.48Å; Y4-I20 HydrophobicContact CE2-CD1 3.73Å; Y4-L29 HydrophobicContact CD1-CD1 4.2Å; Y4-L29 HydrophobicContact CE1-CD1 3.96Å; Y4-L167 HydrophobicContact CD1-CB 4.47Å; Y4-L167 HydrophobicContact CD1-CD1 4.12Å; Y4-E168 WeakPolarHBondContact CA-O 3.5Å; Y4-M169 HydrophobicContact CD1-CG 3.79Å; Y4-M169 HydrophobicContact CE1-CG 3.55Å; Y4-M169 HydrophobicContact CE1-SD 3.82Å
5R98.6Very high97.7Very high60 Ų6031.9 Ų31.923%0.22615%0.151CC..EExtended strand (participates in β ladder)trans-103.6150.1179.1-58.1-177.5177.6-70.4-12.8111.5I3 L7 H10 D11 L167 E168 E170I3-R5 HydrophobicContact CG2-CG 3.95Å; R5-L7 PolarHBondContact O-N 2.95Å; R5-H10 WeakPolarHBondContact CD-O 3.47Å; R5-H10 PolarHBondContact NH1-O 3.42Å; R5-D11 CarbonylContact C-O 3.46Å; R5-D11 WeakPolarHBondContact CA-O 3.47Å; R5-D11 WeakPolarHBondContact CB-O 3.36Å; R5-L167 CarbonylContact O-C 3.48Å; R5-L167 WeakPolarHBondContact O-CA 3.49Å; R5-E168 HydrophobicContact CB-CG 3.71Å; R5-E168 PolarHBondContact N-O 2.94Å; R5-E168 PolarHBondContact O-N 3.25Å; R5-E170 IonicContact CZ-OE2 2.63Å; R5-E170 IonicContact NE-OE2 3.37Å; R5-E170 PolarHBondContact NE-OE2 2.89Å; R5-E170 IonicContact NH2-OE2 3.34Å; R5-E170 PolarHBondContact NH2-OE2 2.77Å
6D98.7Very high97.7Very high0 Ų033.9 Ų33.90%016%0.164CC..EExtended strand (participates in β ladder)trans-63.5129.4167.9177.528.3000110.2I8 S9 H10 D11 M13 G144 M145D6-I8 PolarHBondContact O-N 3.31Å; D6-I8 PolarHBondContact OD1-N 2.62Å; D6-S9 WeakPolarHBondContact CB-OG 3.4Å; D6-S9 WeakPolarHBondContact OD2-CB 3.46Å; D6-S9 PolarHBondContact OD2-N 3.34Å; D6-S9 PolarHBondContact OD2-OG 3.27Å; D6-S9 VanDerWaalsContact OD2-OG 3.1Å; D6-H10 WeakPolarHBondContact O-CA 3.44Å; D6-H10 PolarHBondContact O-N 2.78Å; D6-D11 PolarHBondContact N-O 2.97Å; D6-M13 HydrophobicContact CB-CG 4.12Å; D6-M13 HydrophobicContact CB-SD 4.21Å; D6-G144 WeakPolarHBondContact OD2-CA 3.23Å; D6-M145 HydrophobicContact CB-CB 4.26Å; D6-M145 VanDerWaalsContact CG-N 3.34Å; D6-M145 WeakPolarHBondContact OD1-CB 3.34Å; D6-M145 PolarHBondContact OD2-N 3.3Å
7L97.8Very high97.6Very high7 Ų738.5 Ų38.54%0.03719%0.187CC..THydrogen-bonded Turntrans-65.6-17.8-179.7-17164.2000113.2R5 I99 K102 G166 E168R5-L7 PolarHBondContact O-N 2.95Å; L7-I99 HydrophobicContact CB-CD1 4.42Å; L7-I99 HydrophobicContact CD2-CD1 4.2Å; L7-K102 HydrophobicContact CD2-CB 3.67Å; L7-K102 HydrophobicContact CD2-CG 4.07Å; L7-K102 HydrophobicContact CG-CB 4.34Å; L7-K102 HydrophobicContact CG-CG 4.25Å; L7-G166 VanDerWaalsContact CB-O 3.29Å; L7-G166 WeakPolarHBondContact CB-O 3.43Å; L7-G166 PolarHBondContact N-O 3.47Å; L7-E168 HydrophobicContact CD1-CB 4.2Å
8I97.9Very high97.7Very high33 Ų3337.5 Ų37.517%0.16918%0.182CC..THydrogen-bonded Turntrans-99.7-55.1-179.3-60.1177.5000111.6D6 Y95 I99 D143D6-I8 PolarHBondContact O-N 3.31Å; D6-I8 PolarHBondContact OD1-N 2.62Å; I8-Y95 HydrophobicContact CD1-CD2 3.6Å; I8-Y95 HydrophobicContact CD1-CE2 3.55Å; I8-Y95 HydrophobicContact CG1-CE2 4.47Å; I8-I99 HydrophobicContact CD1-CD1 3.95Å; I8-I99 HydrophobicContact CG1-CD1 4.05Å; I8-D143 VanDerWaalsContact CD1-O 3.29Å; I8-D143 WeakPolarHBondContact CD1-O 3.42Å; I8-D143 HydrophobicContact CG2-CB 4.34Å
9S97.7Very high97.7Very high16 Ų1642.1 Ų42.111%0.11220%0.2CC..THydrogen-bonded Turntrans-86-16.9-176.974.90000114.2D6 D11D6-S9 WeakPolarHBondContact CB-OG 3.4Å; D6-S9 WeakPolarHBondContact OD2-CB 3.46Å; D6-S9 PolarHBondContact OD2-N 3.34Å; D6-S9 PolarHBondContact OD2-OG 3.27Å; D6-S9 VanDerWaalsContact OD2-OG 3.1Å; S9-D11 VanDerWaalsContact CB-OD2 3.28Å; S9-D11 WeakPolarHBondContact CB-OD2 3.43Å; S9-D11 PolarHBondContact O-N 3.24Å; S9-D11 VanDerWaalsContact OG-CB 3.26Å; S9-D11 WeakPolarHBondContact OG-CB 3.38Å; S9-D11 PolarHBondContact OG-N 3.44Å; S9-D11 PolarHBondContact OG-OD2 3.07Å
10H97.4Very high97.7Very high103 Ų10342.3 Ų42.348%0.47720%0.202SC..  trans63.39.9-169.9-52.8-68.8000114.4R5 D6 E168R5-H10 WeakPolarHBondContact CD-O 3.47Å; R5-H10 PolarHBondContact NH1-O 3.42Å; D6-H10 WeakPolarHBondContact O-CA 3.44Å; D6-H10 PolarHBondContact O-N 2.78Å; H10-E168 IonicContact CE1-OE1 3.05Å; H10-E168 IonicContact CG-OE1 2.62Å; H10-E168 IonicContact ND1-OE1 2.76Å; H10-E168 PolarHBondContact ND1-OE1 2.87Å
11D98.4Very high97.8Very high6 Ų645.9 Ų45.93%0.03221%0.214CC..  trans-65.8141174.5-65.9-36000110.3R5 D6 S9 M13 G137 N139R5-D11 CarbonylContact C-O 3.46Å; R5-D11 WeakPolarHBondContact CA-O 3.47Å; R5-D11 WeakPolarHBondContact CB-O 3.36Å; D6-D11 PolarHBondContact N-O 2.97Å; S9-D11 VanDerWaalsContact CB-OD2 3.28Å; S9-D11 WeakPolarHBondContact CB-OD2 3.43Å; S9-D11 PolarHBondContact O-N 3.24Å; S9-D11 VanDerWaalsContact OG-CB 3.26Å; S9-D11 WeakPolarHBondContact OG-CB 3.38Å; S9-D11 PolarHBondContact OG-N 3.44Å; S9-D11 PolarHBondContact OG-OD2 3.07Å; D11-M13 HydrophobicContact CB-SD 4.38Å; D11-M13 PolarHBondContact O-N 2.85Å; D11-G137 WeakPolarHBondContact OD2-CA 3.25Å; D11-N139 WeakPolarHBondContact OD1-CB 3.37Å; D11-N139 VanDerWaalsContact OD1-CG 3.28Å; D11-N139 PolarHBondContact OD1-N 2.86Å; D11-N139 PolarHBondContact OD1-ND2 2.88Å
12E98.1Very high98.1Very high60 Ų6045.9 Ų45.928%0.2821%0.212SC..EExtended strand (participates in β ladder)trans-69.1123169.5172.7164.3164.400109.9I3 H76I3-E12 WeakPolarHBondContact CD1-OE1 3.44Å; I3-E12 HydrophobicContact CG2-CB 4.07Å; I3-E12 HydrophobicContact CG2-CG 3.54Å; E12-H76 HydrophobicContact CG-CB 4.47Å; E12-H76 VanDerWaalsContact CG-ND1 3.3Å; E12-H76 WeakPolarHBondContact CG-ND1 3.47Å; E12-H76 IonicContact OE1-CE1 3.48Å; E12-H76 PolarHBondContact OE1-CE1 2.9Å; E12-H76 IonicContact OE1-ND1 3.76Å; E12-H76 PolarHBondContact OE1-ND1 3.38Å
13M98.7Very high98.1Very high0 Ų045.8 Ų45.80%021%0.212CC..EExtended strand (participates in β ladder)trans-100.5-43.5-177.1-61.4-55.4-60.600112.1Y4 D6 D11 L78 A147 F162 L167Y4-M13 WeakPolarHBondContact O-CB 3.31Å; Y4-M13 PolarHBondContact O-N 3.37Å; D6-M13 HydrophobicContact CB-CG 4.12Å; D6-M13 HydrophobicContact CB-SD 4.21Å; D11-M13 HydrophobicContact CB-SD 4.38Å; D11-M13 PolarHBondContact O-N 2.85Å; M13-L78 HydrophobicContact CE-CD2 3.87Å; M13-L78 HydrophobicContact SD-CD2 4.09Å; M13-A147 HydrophobicContact CE-CB 4.03Å; M13-F162 HydrophobicContact CB-CD1 4.2Å; M13-F162 HydrophobicContact CB-CE1 3.85Å; M13-F162 HydrophobicContact CE-CD1 4.25Å; M13-F162 HydrophobicContact CE-CE1 3.79Å; M13-L167 HydrophobicContact CB-CD2 4.29Å; M13-L167 HydrophobicContact CG-CD2 4.13Å
14F98.7Very high97.9Very high0 Ų047.5 Ų47.50%023%0.227CC..EExtended strand (participates in β ladder)trans-164.7175.2173.861.6-83.6000111Y4 Y18 I20 L29 V31 I72 H76 F162 L167Y4-F14 AromaticContact CD1-CE2 3.93Å; Y4-F14 HydrophobicContact CD1-CE2 3.93Å; Y4-F14 AromaticContact CD1-CZ 3.75Å; Y4-F14 HydrophobicContact CD1-CZ 3.75Å; Y4-F14 AromaticContact CD2-CD2 3.6Å; Y4-F14 HydrophobicContact CD2-CD2 3.6Å; Y4-F14 AromaticContact CD2-CE2 3.22Å; Y4-F14 HydrophobicContact CD2-CE2 3.22Å; Y4-F14 HydrophobicContact CD2-CG 4.48Å; Y4-F14 AromaticContact CD2-CZ 3.86Å; Y4-F14 HydrophobicContact CD2-CZ 3.86Å; Y4-F14 HydrophobicContact CE1-CE2 4.31Å; Y4-F14 HydrophobicContact CE1-CZ 4.38Å; Y4-F14 HydrophobicContact CE2-CD2 4.25Å; Y4-F14 AromaticContact CE2-CE2 3.68Å; Y4-F14 HydrophobicContact CE2-CE2 3.68Å; Y4-F14 HydrophobicContact CE2-CZ 4.48Å; Y4-F14 AromaticContact CG-CD2 3.99Å; Y4-F14 HydrophobicContact CG-CD2 3.99Å; Y4-F14 HydrophobicContact CG-CE1 4.15Å; Y4-F14 AromaticContact CG-CE2 3.36Å; Y4-F14 HydrophobicContact CG-CE2 3.36Å; Y4-F14 AromaticContact CG-CZ 3.45Å; Y4-F14 HydrophobicContact CG-CZ 3.45Å; Y4-F14 VanDerWaalsContact CG-CZ 3.45Å; Y4-F14 PolarHBondContact N-O 3.21Å; Y4-F14 PolarHBondContact O-N 3.25Å; F14-Y18 HydrophobicContact CB-CD2 4.37Å; F14-I20 HydrophobicContact CD2-CD1 4.02Å; F14-I20 HydrophobicContact CD2-CG1 4.3Å; F14-I20 HydrophobicContact CE2-CD1 3.65Å; F14-I20 HydrophobicContact CE2-CG1 3.96Å; F14-L29 HydrophobicContact CZ-CB 4.47Å; F14-L29 HydrophobicContact CZ-CD1 3.88Å; F14-V31 HydrophobicContact CB-CG1 4.47Å; F14-V31 HydrophobicContact CD1-CG2 4.1Å; F14-V31 HydrophobicContact CD2-CG1 4.16Å; F14-V31 HydrophobicContact CD2-CG2 3.82Å; F14-V31 HydrophobicContact CE1-CG2 4.01Å; F14-V31 HydrophobicContact CE2-CG2 3.72Å; F14-V31 HydrophobicContact CG-CG1 4.34Å; F14-V31 HydrophobicContact CG-CG2 4.01Å; F14-V31 HydrophobicContact CZ-CG2 3.82Å; F14-I72 HydrophobicContact CB-CG2 4.12Å; F14-H76 WeakPolarHBondContact CA-NE2 3.47Å; F14-F162 HydrophobicContact CD1-CD1 4.07Å; F14-F162 AromaticContact CD1-CD2 3.88Å; F14-F162 HydrophobicContact CD1-CD2 3.88Å; F14-F162 AromaticContact CD1-CE1 3.84Å; F14-F162 HydrophobicContact CD1-CE1 3.84Å; F14-F162 AromaticContact CD1-CE2 3.64Å; F14-F162 HydrophobicContact CD1-CE2 3.64Å; F14-F162 HydrophobicContact CD1-CG 4.1Å; F14-F162 AromaticContact CD1-CZ 3.63Å; F14-F162 HydrophobicContact CD1-CZ 3.63Å; F14-F162 HydrophobicContact CE1-CB 4.18Å; F14-F162 AromaticContact CE1-CD1 3.95Å; F14-F162 HydrophobicContact CE1-CD1 3.95Å; F14-F162 AromaticContact CE1-CD2 3.61Å; F14-F162 HydrophobicContact CE1-CD2 3.61Å; F14-F162 HydrophobicContact CE1-CE1 4.21Å; F14-F162 AromaticContact CE1-CE2 3.88Å; F14-F162 HydrophobicContact CE1-CE2 3.88Å; F14-F162 AromaticContact CE1-CG 3.65Å; F14-F162 HydrophobicContact CE1-CG 3.65Å; F14-F162 HydrophobicContact CE1-CZ 4.18Å; F14-F162 HydrophobicContact CG-CE2 4.42Å; F14-F162 HydrophobicContact CG-CZ 4.49Å; F14-F162 HydrophobicContact CZ-CD2 4.43Å; F14-L167 HydrophobicContact CE1-CD1 3.62Å; F14-L167 HydrophobicContact CE1-CD2 4.34Å; F14-L167 HydrophobicContact CZ-CD1 3.69Å
15S98Very high97.5Very high3 Ų354.7 Ų54.72%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-124.6170.7174.862.90000113.2I2 I17 Y18 H76I2-S15 CarbonylContact O-C 3.59Å; I2-S15 WeakPolarHBondContact O-CA 3.47Å; I2-S15 WeakPolarHBondContact O-CB 3.41Å; S15-I17 PolarHBondContact O-N 2.84Å; S15-I17 VanDerWaalsContact OG-CG1 3.29Å; S15-I17 WeakPolarHBondContact OG-CG1 3.23Å; S15-Y18 WeakPolarHBondContact O-CD2 3.28Å; S15-Y18 PolarHBondContact O-N 3.31Å; S15-H76 PolarHBondContact N-NE2 3.42Å
16D97.4Very high97.3Very high65 Ų6552.3 Ų52.335%0.34826%0.261SS..THydrogen-bonded Turntrans-72.43.5176.866.2-18.2000115.2M1 I2 Y4 Y18M1-D16 WeakPolarHBondContact CG-OD1 3.26Å; I2-D16 HydrophobicContact CB-CB 3.95Å; I2-D16 WeakPolarHBondContact CG1-OD2 3.43Å; I2-D16 PolarHBondContact N-OD1 2.88Å; I2-D16 PolarHBondContact N-OD2 3.17Å; I2-D16 VanDerWaalsContact N-OD2 3.14Å; I2-D16 PolarHBondContact O-N 3.33Å; Y4-D16 HydrophobicContact CE2-CB 4.39Å; D16-Y18 PolarHBondContact O-N 3.08Å
17I97.3Very high97.2Very high111 Ų11152.7 Ų52.757%0.56926%0.263SS*.THydrogen-bonded Turntrans-69.6-21172.477.3-175.9000112S15S15-I17 PolarHBondContact O-N 2.84Å; S15-I17 VanDerWaalsContact OG-CG1 3.29Å; S15-I17 WeakPolarHBondContact OG-CG1 3.23Å
18Y98.2Very high97.3Very high21 Ų2152.4 Ų52.48%0.08226%0.261CS..SBendtrans-87.3159179.4-63.2-78.2000111.8F14 S15 D16 I20 V31 D71 I72 N75 H76F14-Y18 HydrophobicContact CB-CD2 4.37Å; S15-Y18 WeakPolarHBondContact O-CD2 3.28Å; S15-Y18 PolarHBondContact O-N 3.31Å; D16-Y18 PolarHBondContact O-N 3.08Å; Y18-I20 PolarHBondContact O-N 2.93Å; Y18-I20 VanDerWaalsContact O-N 3.17Å; Y18-V31 HydrophobicContact CD2-CG1 4.23Å; Y18-V31 HydrophobicContact CG-CG1 3.81Å; Y18-D71 WeakPolarHBondContact CE1-OD2 3.36Å; Y18-D71 PolarHBondContact OH-O 3.46Å; Y18-I72 HydrophobicContact CD1-CD1 4.3Å; Y18-I72 HydrophobicContact CD1-CG1 3.7Å; Y18-I72 HydrophobicContact CD2-CG1 4.37Å; Y18-I72 HydrophobicContact CE1-CB 4.4Å; Y18-I72 HydrophobicContact CE1-CD1 4.41Å; Y18-I72 HydrophobicContact CE1-CG1 3.37Å; Y18-I72 HydrophobicContact CE2-CG1 4.12Å; Y18-I72 HydrophobicContact CG-CG1 4.19Å; Y18-I72 WeakPolarHBondContact OH-CA 3.49Å; Y18-I72 PolarHBondContact OH-N 2.8Å; Y18-N75 PolarHBondContact OH-ND2 3.32Å; Y18-H76 AromaticContact CE2-NE2 3.41Å; Y18-H76 WeakPolarHBondContact CE2-NE2 3.09Å
19K98.3Very high97.3Very high124 Ų12451.2 Ų51.254%0.53926%0.256SS..EExtended strand (participates in β ladder)trans-76.6105.7169.8177.5179.3163.2-148.50109E32K19-E32 HydrophobicContact CB-CB 4.26Å; K19-E32 IonicContact NZ-OE1 2.69Å; K19-E32 PolarHBondContact NZ-OE1 2.89Å; K19-E32 VanDerWaalsContact NZ-OE1 3.1Å; K19-E32 IonicContact NZ-OE2 3.1Å; K19-E32 PolarHBondContact NZ-OE2 3.26Å; K19-E32 PolarHBondContact O-N 3.47Å
20I98.5Very high97.3Very high46 Ų4651 Ų5124%0.23625%0.252CS..EExtended strand (participates in β ladder)trans-104.6134.4-179.2-57.3155.9000109.2Y4 F14 Y18 L29 E30 V31Y4-I20 HydrophobicContact CD2-CD1 4.48Å; Y4-I20 HydrophobicContact CE2-CD1 3.73Å; F14-I20 HydrophobicContact CD2-CD1 4.02Å; F14-I20 HydrophobicContact CD2-CG1 4.3Å; F14-I20 HydrophobicContact CE2-CD1 3.65Å; F14-I20 HydrophobicContact CE2-CG1 3.96Å; Y18-I20 PolarHBondContact O-N 2.93Å; Y18-I20 VanDerWaalsContact O-N 3.17Å; I20-L29 HydrophobicContact CG2-CB 4.17Å; I20-L29 HydrophobicContact CG2-CD1 4.23Å; I20-L29 HydrophobicContact CG2-CD2 4.13Å; I20-L29 HydrophobicContact CG2-CG 4.4Å; I20-E30 WeakPolarHBondContact CA-O 3.48Å; I20-V31 HydrophobicContact CG1-CG1 4.26Å; I20-V31 HydrophobicContact CG1-CG2 4.21Å
21R98.2Very high97.4Very high118 Ų11846 Ų4645%0.44523%0.23SC..EExtended strand (participates in β ladder)trans-135.4151.9169.464.3179.9-178.5-179.61.8112I23 E30 R152R21-I23 HydrophobicContact CG-CG2 4.27Å; R21-E30 HydrophobicContact CG-CB 4.1Å; R21-E30 IonicContact CZ-OE1 3.93Å; R21-E30 IonicContact CZ-OE2 3.96Å; R21-E30 PolarHBondContact N-O 3.38Å; R21-E30 IonicContact NE-OE1 3.91Å; R21-E30 PolarHBondContact NE-OE1 2.95Å; R21-E30 IonicContact NE-OE2 3.79Å; R21-E30 VanDerWaalsContact NH2-CD 3.32Å; R21-E30 IonicContact NH2-OE1 3.05Å; R21-E30 PolarHBondContact NH2-OE1 2.83Å; R21-E30 IonicContact NH2-OE2 2.79Å; R21-E30 PolarHBondContact NH2-OE2 2.89Å; R21-E30 PolarHBondContact O-N 3.48Å; R21-R152 VanDerWaalsContact NH2-NH1 3.18Å
22E98.1Very high97.4Very high117 Ų11748.5 Ų48.555%0.54724%0.241SC..EExtended strand (participates in β ladder)trans-79.9133.7172.1-70.4-173.1-156.200110.4G26 L29 K164E22-G26 VanDerWaalsContact OE2-CA 3.32Å; E22-G26 WeakPolarHBondContact OE2-CA 3.47Å; E22-L29 HydrophobicContact CG-CD2 3.73Å; E22-K164 IonicContact OE1-NZ 3.28Å; E22-K164 PolarHBondContact OE1-NZ 3.19Å; E22-K164 IonicContact OE2-NZ 2.75Å; E22-K164 PolarHBondContact OE2-NZ 2.88Å
23I96.5Very high97.4Very high40 Ų4046.1 Ų46.121%0.20523%0.233CC..EExtended strand (participates in β ladder)trans-130.3172.9173.467.1167.6000109.6R21 D25 G26 L27 C28 E30 I161R21-I23 HydrophobicContact CG-CG2 4.27Å; I23-D25 VanDerWaalsContact C-N 3.33Å; I23-D25 PolarHBondContact O-N 3.5Å; I23-G26 PolarHBondContact O-N 3.4Å; I23-G26 VanDerWaalsContact O-N 3.16Å; I23-L27 PolarHBondContact O-N 3.11Å; I23-C28 HydrophobicContact CD1-CB 4.32Å; I23-C28 HydrophobicContact CG1-CB 3.78Å; I23-C28 PolarHBondContact N-O 3.05Å; I23-C28 PolarHBondContact O-N 3.26Å; I23-E30 HydrophobicContact CD1-CB 3.98Å; I23-E30 HydrophobicContact CD1-CG 4.29Å; I23-E30 HydrophobicContact CG1-CB 4.21Å; I23-E30 HydrophobicContact CG2-CB 3.9Å; I23-I161 HydrophobicContact CD1-CD1 4.31Å; I23-I161 HydrophobicContact CD1-CG1 4.22Å; I23-I161 HydrophobicContact CD1-CG2 4.19Å
24A93.9Very high97.4Very high38 Ų3852.1 Ų52.131%0.31426%0.259SS..THydrogen-bonded Turntrans51.351.4-179.800000112.1G26 L27A24-G26 VanDerWaalsContact C-N 3.26Å; A24-G26 PolarHBondContact O-N 3.35Å; A24-L27 HydrophobicContact CB-CB 4.21Å; A24-L27 WeakPolarHBondContact O-CB 3.36Å; A24-L27 PolarHBondContact O-N 3.08Å
25D92.1Very high97.3Very high181 Ų18156.1 Ų56.197%0.96828%0.279SS*.THydrogen-bonded Turntrans54.138.1-179.1-57-38.1000114.2I23 L27I23-D25 VanDerWaalsContact C-N 3.33Å; I23-D25 PolarHBondContact O-N 3.5Å; D25-L27 VanDerWaalsContact C-N 3.3Å; D25-L27 PolarHBondContact O-N 2.94Å
26G94.1Very high97.2Very high10 Ų1057.3 Ų57.310%0.10329%0.286CS..THydrogen-bonded Turntrans809178.800000114.4E22 I23 A24 K164E22-G26 VanDerWaalsContact OE2-CA 3.32Å; E22-G26 WeakPolarHBondContact OE2-CA 3.47Å; I23-G26 PolarHBondContact O-N 3.4Å; I23-G26 VanDerWaalsContact O-N 3.16Å; A24-G26 VanDerWaalsContact C-N 3.26Å; A24-G26 PolarHBondContact O-N 3.35Å; G26-K164 WeakPolarHBondContact O-CD 3.32Å
27L96.8Very high97.1Very high8 Ų858 Ų584%0.04230%0.296CS..THydrogen-bonded Turntrans-75-36.1175.2-17775.4000112.2I23 A24 D25 F114 G117 Q121 F163 K164I23-L27 PolarHBondContact O-N 3.11Å; A24-L27 HydrophobicContact CB-CB 4.21Å; A24-L27 WeakPolarHBondContact O-CB 3.36Å; A24-L27 PolarHBondContact O-N 3.08Å; D25-L27 VanDerWaalsContact C-N 3.3Å; D25-L27 PolarHBondContact O-N 2.94Å; L27-F114 HydrophobicContact CD1-CD2 3.84Å; L27-F114 HydrophobicContact CD1-CE2 4.45Å; L27-G117 WeakPolarHBondContact CD2-O 3.39Å; L27-Q121 HydrophobicContact CD2-CB 3.58Å; L27-Q121 HydrophobicContact CD2-CG 4.17Å; L27-F163 HydrophobicContact CD2-CD1 4.43Å; L27-F163 HydrophobicContact CD2-CE1 4.1Å; L27-F163 HydrophobicContact CG-CD1 4.25Å; L27-F163 HydrophobicContact CG-CE1 4.41Å; L27-K164 VanDerWaalsContact O-CB 3.3Å; L27-K164 WeakPolarHBondContact O-CB 3.25Å; L27-K164 PolarHBondContact O-N 3Å
28C98.4Very high96.8Very high0 Ų057.1 Ų57.10%029%0.286CS..EExtended strand (participates in β ladder)trans-122.7150.2-176.1-60.70000111.4I23 I161 F162I23-C28 HydrophobicContact CD1-CB 4.32Å; I23-C28 HydrophobicContact CG1-CB 3.78Å; I23-C28 PolarHBondContact N-O 3.05Å; I23-C28 PolarHBondContact O-N 3.26Å; C28-I161 HydrophobicContact CB-CG2 3.82Å; C28-F162 CarbonylContact C-O 3.53Å; C28-F162 WeakPolarHBondContact CA-O 3.46Å; C28-F162 WeakPolarHBondContact CB-O 3.29Å
29L98.7Very high96.1Very high9 Ų959.6 Ų59.65%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-99.1136.3165.2-61.7-176.3000108.5Y4 F14 I20 E22 I161 F162 K164 L167Y4-L29 HydrophobicContact CD1-CD1 4.2Å; Y4-L29 HydrophobicContact CE1-CD1 3.96Å; F14-L29 HydrophobicContact CZ-CB 4.47Å; F14-L29 HydrophobicContact CZ-CD1 3.88Å; I20-L29 HydrophobicContact CG2-CB 4.17Å; I20-L29 HydrophobicContact CG2-CD1 4.23Å; I20-L29 HydrophobicContact CG2-CD2 4.13Å; I20-L29 HydrophobicContact CG2-CG 4.4Å; E22-L29 HydrophobicContact CG-CD2 3.73Å; L29-I161 WeakPolarHBondContact O-CA 3.05Å; L29-F162 PolarHBondContact N-O 3.43Å; L29-F162 PolarHBondContact O-N 3.15Å; L29-K164 HydrophobicContact CD1-CG 4.25Å; L29-K164 HydrophobicContact CD2-CB 4.44Å; L29-K164 HydrophobicContact CD2-CD 3.97Å; L29-K164 HydrophobicContact CD2-CG 4.12Å; L29-K164 HydrophobicContact CG-CB 4.02Å; L29-K164 HydrophobicContact CG-CD 4.38Å; L29-K164 HydrophobicContact CG-CG 3.97Å; L29-L167 HydrophobicContact CD1-CD1 3.84Å
30E98.7Very high94.9Very high10 Ų1059.3 Ų59.35%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-112.6125.8171.5-161.7-156.666.700108.6I20 R21 I23 R152 Y159 M160 I161I20-E30 WeakPolarHBondContact CA-O 3.48Å; R21-E30 HydrophobicContact CG-CB 4.1Å; R21-E30 IonicContact CZ-OE1 3.93Å; R21-E30 IonicContact CZ-OE2 3.96Å; R21-E30 PolarHBondContact N-O 3.38Å; R21-E30 IonicContact NE-OE1 3.91Å; R21-E30 PolarHBondContact NE-OE1 2.95Å; R21-E30 IonicContact NE-OE2 3.79Å; R21-E30 VanDerWaalsContact NH2-CD 3.32Å; R21-E30 IonicContact NH2-OE1 3.05Å; R21-E30 PolarHBondContact NH2-OE1 2.83Å; R21-E30 IonicContact NH2-OE2 2.79Å; R21-E30 PolarHBondContact NH2-OE2 2.89Å; R21-E30 PolarHBondContact O-N 3.48Å; I23-E30 HydrophobicContact CD1-CB 3.98Å; I23-E30 HydrophobicContact CD1-CG 4.29Å; I23-E30 HydrophobicContact CG1-CB 4.21Å; I23-E30 HydrophobicContact CG2-CB 3.9Å; E30-R152 VanDerWaalsContact CD-NH2 3.29Å; E30-R152 IonicContact OE1-CZ 2.73Å; E30-R152 IonicContact OE1-NH1 3.75Å; E30-R152 PolarHBondContact OE1-NH1 2.77Å; E30-R152 IonicContact OE1-NH2 3.6Å; E30-R152 PolarHBondContact OE1-NH2 3.1Å; E30-R152 IonicContact OE2-CZ 3.65Å; E30-R152 IonicContact OE2-NH1 2.84Å; E30-R152 PolarHBondContact OE2-NH1 3.48Å; E30-R152 IonicContact OE2-NH2 3.92Å; E30-Y159 HydrophobicContact CG-CD2 3.49Å; E30-Y159 VanDerWaalsContact CG-CD2 3.49Å; E30-Y159 HydrophobicContact CG-CE2 4.2Å; E30-Y159 HydrophobicContact CG-CG 4.27Å; E30-M160 CarbonylContact C-O 3.59Å; E30-M160 WeakPolarHBondContact CA-O 3.01Å; E30-I161 HydrophobicContact CG-CG1 4.35Å
31V98.8Very high93.2Very high0 Ų059.4 Ų59.40%032%0.316CS..EExtended strand (participates in β ladder)trans-118.4112.9-172-170.30000108.2F14 Y18 I20 I72 Y159 M160 F162F14-V31 HydrophobicContact CB-CG1 4.47Å; F14-V31 HydrophobicContact CD1-CG2 4.1Å; F14-V31 HydrophobicContact CD2-CG1 4.16Å; F14-V31 HydrophobicContact CD2-CG2 3.82Å; F14-V31 HydrophobicContact CE1-CG2 4.01Å; F14-V31 HydrophobicContact CE2-CG2 3.72Å; F14-V31 HydrophobicContact CG-CG1 4.34Å; F14-V31 HydrophobicContact CG-CG2 4.01Å; F14-V31 HydrophobicContact CZ-CG2 3.82Å; Y18-V31 HydrophobicContact CD2-CG1 4.23Å; Y18-V31 HydrophobicContact CG-CG1 3.81Å; I20-V31 HydrophobicContact CG1-CG1 4.26Å; I20-V31 HydrophobicContact CG1-CG2 4.21Å; V31-I72 HydrophobicContact CB-CD1 4.14Å; V31-I72 HydrophobicContact CG1-CD1 3.73Å; V31-I72 HydrophobicContact CG1-CG1 4.42Å; V31-Y159 CarbonylContact O-C 3.57Å; V31-Y159 VanDerWaalsContact O-CA 3.26Å; V31-Y159 WeakPolarHBondContact O-CA 3.32Å; V31-M160 PolarHBondContact N-O 3.16Å; V31-M160 PolarHBondContact O-N 2.89Å; V31-F162 HydrophobicContact CB-CD2 4.49Å; V31-F162 HydrophobicContact CB-CE2 3.98Å; V31-F162 HydrophobicContact CG2-CD2 3.68Å; V31-F162 HydrophobicContact CG2-CE2 3.56Å
32E98.8Very high91.2Very high57 Ų5760 Ų6027%0.26633%0.328SS..EExtended strand (participates in β ladder)trans-81.4124.6179.4-171.7174.5106.400109.8K19 R152 T157K19-E32 HydrophobicContact CB-CB 4.26Å; K19-E32 IonicContact NZ-OE1 2.69Å; K19-E32 PolarHBondContact NZ-OE1 2.89Å; K19-E32 VanDerWaalsContact NZ-OE1 3.1Å; K19-E32 IonicContact NZ-OE2 3.1Å; K19-E32 PolarHBondContact NZ-OE2 3.26Å; K19-E32 PolarHBondContact O-N 3.47Å; E32-R152 IonicContact OE2-NH2 2.89Å; E32-T157 HydrophobicContact CG-CG2 4Å
33G98.4Very high89.2Confident11 Ų1159.8 Ų59.811%0.11333%0.329CS..  trans-111.9-167.8176.900000111.7D71 P158G33-D71 VanDerWaalsContact CA-OD1 3.3Å; G33-D71 WeakPolarHBondContact CA-OD1 3.07Å; G33-P158 PolarHBondContact N-O 2.99Å
34K97.8Very high87.2Confident125 Ų12562.6 Ų62.654%0.54334%0.344SS..  trans-141.3151.5171.948.8171.6179.5-172.50110.6V36 D71K34-V36 HydrophobicContact CD-CG1 3.86Å; K34-V36 HydrophobicContact CG-CG1 3.9Å; K34-V36 PolarHBondContact O-N 3.18Å; K34-D71 WeakPolarHBondContact CE-OD2 3.11Å; K34-D71 HydrophobicContact CG-CB 4.12Å; K34-D71 WeakPolarHBondContact CG-OD2 3.48Å; K34-D71 PolarHBondContact N-OD1 2.87Å; K34-D71 PolarHBondContact O-N 3.12Å
35M97.2Very high85.4Confident84 Ų8467 Ų6741%0.41436%0.363SS..EExtended strand (participates in β ladder)trans-69.5129165.3-64.4-56.3-63.900109.2T68 V70 Y151 P158M35-T68 HydrophobicContact CE-CG2 3.91Å; M35-V70 HydrophobicContact SD-CG2 3.73Å; M35-Y151 HydrophobicContact SD-CE1 4.22Å; M35-P158 HydrophobicContact SD-CG 4.46Å
36V96Very high83.8Confident28 Ų2862.6 Ų62.617%0.1735%0.346CS..EExtended strand (participates in β ladder)trans-132147.1177.1-64.70000110.1K34 T68 G69 D71 M74K34-V36 HydrophobicContact CD-CG1 3.86Å; K34-V36 HydrophobicContact CG-CG1 3.9Å; K34-V36 PolarHBondContact O-N 3.18Å; V36-T68 CarbonylContact O-C 3.58Å; V36-T68 VanDerWaalsContact O-CA 3.25Å; V36-T68 WeakPolarHBondContact O-CA 3.3Å; V36-G69 PolarHBondContact N-O 3.21Å; V36-G69 PolarHBondContact O-N 3.19Å; V36-D71 HydrophobicContact CB-CB 4.44Å; V36-D71 HydrophobicContact CG1-CB 3.83Å; V36-D71 HydrophobicContact CG2-CB 3.71Å; V36-M74 HydrophobicContact CG2-SD 3.67Å
37S94.1Very high81.9Confident81 Ų8168.6 Ų68.657%0.56638%0.375SS*.EExtended strand (participates in β ladder)trans-111.2133.4171.8-55.50000109.1I67 T68S37-I67 CarbonylContact C-O 3.47Å; S37-I67 VanDerWaalsContact CA-O 3.29Å; S37-I67 WeakPolarHBondContact CA-O 3.45Å; S37-T68 WeakPolarHBondContact CB-OG1 3.26Å; S37-T68 PolarHBondContact OG-OG1 2.97Å
38R90.5Very high80Confident92 Ų9273.2 Ų73.235%0.34740%0.399SS..EExtended strand (participates in β ladder)trans-124.9136.4175.4-60-174.9-170.11653.6109V66 I67 M74 N75R38-V66 CarbonylContact O-C 3.58Å; R38-V66 WeakPolarHBondContact O-CA 3.27Å; R38-I67 PolarHBondContact N-O 2.75Å; R38-I67 PolarHBondContact O-N 3Å; R38-M74 HydrophobicContact CB-CE 4.18Å; R38-M74 HydrophobicContact CG-CE 3.87Å; R38-M74 PolarHBondContact NH1-O 3.37Å; R38-N75 PolarHBondContact NH2-OD1 3.27Å
39T84.8Confident77.6Confident73 Ų7377.3 Ų77.345%0.44844%0.441SS..EExtended strand (participates in β ladder)trans-87113.9172.8-53.80000108.5
40E72.1Confident75.2Confident118 Ų11879.6 Ų79.655%0.55147%0.467SS*.EExtended strand (participates in β ladder)trans-86.3144.4166.9-70.9-167.1170.200110T65 I67E40-T65 PolarHBondContact N-O 3.33Å; E40-T65 PolarHBondContact O-N 2.88Å; E40-I67 HydrophobicContact CG-CD1 3.88Å; E40-I67 HydrophobicContact CG-CG1 4.33Å; E40-I67 WeakPolarHBondContact OE1-CD1 3.29Å; E40-I67 VanDerWaalsContact OE2-CD1 3.25Å; E40-I67 WeakPolarHBondContact OE2-CD1 3.49Å
41G63.1Low72.7Confident48 Ų4886.4 Ų86.450%0.49550%0.504SS..  trans104.2-2172.800000116.6I43G41-I43 PolarHBondContact O-N 3.28Å
42N56.6Low70.3Confident130 Ų13091.8 Ų91.870%0.69555%0.548SS*.  trans-78.472.8167.6-74.7-1.7000109.7D44N42-D44 VanDerWaalsContact C-N 3.28Å; N42-D44 PolarHBondContact O-N 3.44Å; N42-D44 VanDerWaalsContact O-N 3.15Å
43I56.1Low68Low112 Ų11294.1 Ų94.157%0.57457%0.571SS**  trans-69.4104.3149-57.6176.4000103.2G41 D45 I48G41-I43 PolarHBondContact O-N 3.28Å; I43-D45 PolarHBondContact O-N 3.28Å; I43-I48 HydrophobicContact CG2-CD1 4.15Å; I43-I48 HydrophobicContact CG2-CG1 3.92Å
44D53.9Low65.4Low99 Ų9998.2 Ų98.253%0.52960%0.603SS.*  trans-50.7116.4171-167.6-29.6000106.3N42 S46 L47N42-D44 VanDerWaalsContact C-N 3.28Å; N42-D44 PolarHBondContact O-N 3.44Å; N42-D44 VanDerWaalsContact O-N 3.15Å; D44-S46 PolarHBondContact O-N 2.95Å; D44-S46 WeakPolarHBondContact OD1-CB 3.17Å; D44-S46 PolarHBondContact OD1-N 3.29Å; D44-S46 PolarHBondContact OD1-OG 3.34Å; D44-S46 PolarHBondContact OD2-OG 3.21Å; D44-L47 HydrophobicContact CB-CD1 4.22Å; D44-L47 HydrophobicContact CB-CG 4.21Å; D44-L47 WeakPolarHBondContact O-CA 3.29Å; D44-L47 WeakPolarHBondContact O-CB 3.28Å; D44-L47 PolarHBondContact O-N 3.11Å
45D57.3Low62.8Low131 Ų131102.3 Ų102.370%0.70162%0.624SS**G310 helixtrans-54.9-21.3-177.6-78.1-29.5000111.1I43 L47 I48I43-D45 PolarHBondContact O-N 3.28Å; D45-L47 PolarHBondContact O-N 2.73Å; D45-I48 PolarHBondContact O-N 3.25Å; D45-I48 VanDerWaalsContact O-N 3.16Å
46S56.8Low60.2Low89 Ų89100.9 Ų100.962%0.62263%0.632SS**G310 helixtrans-64-20.9171.369.50000114.6D44D44-S46 PolarHBondContact O-N 2.95Å; D44-S46 WeakPolarHBondContact OD1-CB 3.17Å; D44-S46 PolarHBondContact OD1-N 3.29Å; D44-S46 PolarHBondContact OD1-OG 3.34Å; D44-S46 PolarHBondContact OD2-OG 3.21Å
47L55.9Low57.7Low136 Ų136105.6 Ų105.671%0.71266%0.663SS**G310 helixtrans-87.2-18174.3-62.6176.1000112.9D44 D45 G49D44-L47 HydrophobicContact CB-CD1 4.22Å; D44-L47 HydrophobicContact CB-CG 4.21Å; D44-L47 WeakPolarHBondContact O-CA 3.29Å; D44-L47 WeakPolarHBondContact O-CB 3.28Å; D44-L47 PolarHBondContact O-N 3.11Å; D45-L47 PolarHBondContact O-N 2.73Å; L47-G49 PolarHBondContact O-N 2.89Å
48I56.7Low55.5Low105 Ų105110.7 Ų110.754%0.53868%0.678SS.*  trans-75.680.7165.9-66.9176.9000106.7I43 D45 G50I43-I48 HydrophobicContact CG2-CD1 4.15Å; I43-I48 HydrophobicContact CG2-CG1 3.92Å; D45-I48 PolarHBondContact O-N 3.25Å; D45-I48 VanDerWaalsContact O-N 3.16Å; I48-G50 PolarHBondContact O-N 3.18Å
49G48.2Very low53.6Low86 Ų86109.9 Ų109.989%0.88770%0.698SS**  trans-68.950.5178.600000113.9L47L47-G49 PolarHBondContact O-N 2.89Å
50G46.6Very low52.1Low57 Ų57115.3 Ų115.359%0.58872%0.718SS**  trans-120.786.1-171.800000113.3I48I48-G50 PolarHBondContact O-N 3.18Å
51N46.6Very low51.3Low152 Ų152112.8 Ų112.881%0.81372%0.723SS**  trans45.894.7151.5-147.617.2000117.8S53N51-S53 PolarHBondContact O-N 3.43Å
52A48.6Very low51.2Low114 Ų114116.1 Ų116.194%0.94273%0.734SS**SBendtrans-6849-179.200000116.3
53S50.4Low51.5Low106 Ų106118.5 Ų118.574%0.74174%0.741SS**  trans-139.522.1-177.6-165.50000116.4N51N51-S53 PolarHBondContact O-N 3.43Å
54A44.4Very low52.1Low96 Ų96116.1 Ų116.179%0.79374%0.735SS**  trans-121.496.6168.500000109.9G56A54-G56 PolarHBondContact O-N 2.91Å
55E43.2Very low53.3Low211 Ų211115.7 Ų115.799%0.98674%0.735SS**  trans-65.685164.1-63.6-151.3151.800108.9
56G41.9Very low54.7Low55 Ų55113.4 Ų113.457%0.56773%0.726SS**  trans-100.9148.116300000109.3A54 E58A54-G56 PolarHBondContact O-N 2.91Å; G56-E58 PolarHBondContact O-N 3.4Å
57P44.4Very low56.2Low126 Ų126112.1 Ų112.182%0.81871%0.712SS**SBendtrans-66.9135.5-163.828.1-33000111.8G59P57-G59 PolarHBondContact O-N 3.38Å
58E48.4Very low58Low189 Ų189109.4 Ų109.488%0.88370%0.701SS**SBendtrans28.193.3149.7-59.5-174.4166.900114.2G56 E60G56-E58 PolarHBondContact O-N 3.4Å; E58-E60 PolarHBondContact O-N 2.76Å; E58-E60 VanDerWaalsContact O-N 3.14Å
59G48.7Very low59.8Low74 Ų74105.1 Ų105.176%0.76368%0.683SS**  trans-41.2120.3-178.900000111.7P57 G61P57-G59 PolarHBondContact O-N 3.38Å; G59-G61 PolarHBondContact O-N 3.28Å
60E53.8Low62.2Low188 Ų188101.4 Ų101.488%0.87964%0.643SS**  trans-51.796.6152.6-73.8-174158.500105.6E58 T62E58-E60 PolarHBondContact O-N 2.76Å; E58-E60 VanDerWaalsContact O-N 3.14Å; E60-T62 PolarHBondContact O-N 3.26Å
61G55.9Low64.6Low64 Ų6499.2 Ų99.266%0.6662%0.618SS**  trans-53.1110.4175.800000105.9G59 E63G59-G61 PolarHBondContact O-N 3.28Å; G61-E63 PolarHBondContact O-N 3.27Å
62T60.6Low67.1Low118 Ų11892 Ų9272%0.72458%0.579SS**  trans-58.6110.3-179.9-56.70000105.2E60 S64E60-T62 PolarHBondContact O-N 3.26Å; T62-S64 PolarHBondContact O-N 2.94Å
63E63.8Low69.5Low180 Ų18087.5 Ų87.584%0.84154%0.54SS*.  trans-60.7102-176-75.2-167.6163.900107.9G61 T65G61-E63 PolarHBondContact O-N 3.27Å; E63-T65 PolarHBondContact O-N 3.1Å
64S67.3Low71.7Confident63 Ų6384 Ų8444%0.44151%0.512SS..  trans-61.3122.4-179.166.90000108.3T62T62-S64 PolarHBondContact O-N 2.94Å
65T80.6Confident74.2Confident89 Ų8982.4 Ų82.455%0.54649%0.49SS..EExtended strand (participates in β ladder)trans-94.3121-178.5-60.50000108.7E40 E63 I67E40-T65 PolarHBondContact N-O 3.33Å; E40-T65 PolarHBondContact O-N 2.88Å; E63-T65 PolarHBondContact O-N 3.1Å; T65-I67 HydrophobicContact CG2-CG1 4.39Å
66V86Confident76.8Confident83 Ų8372.8 Ų72.850%0.50345%0.445SS..EExtended strand (participates in β ladder)trans-87.2114.3174.6-179.80000108.9R38R38-V66 CarbonylContact O-C 3.58Å; R38-V66 WeakPolarHBondContact O-CA 3.27Å
67I88.3Confident79.5Confident62 Ų6275.1 Ų75.132%0.31844%0.441SS..EExtended strand (participates in β ladder)trans-97128.7174.2-57.3-170.9000108.8S37 R38 E40 T65 M74S37-I67 CarbonylContact C-O 3.47Å; S37-I67 VanDerWaalsContact CA-O 3.29Å; S37-I67 WeakPolarHBondContact CA-O 3.45Å; R38-I67 PolarHBondContact N-O 2.75Å; R38-I67 PolarHBondContact O-N 3Å; E40-I67 HydrophobicContact CG-CD1 3.88Å; E40-I67 HydrophobicContact CG-CG1 4.33Å; E40-I67 WeakPolarHBondContact OE1-CD1 3.29Å; E40-I67 VanDerWaalsContact OE2-CD1 3.25Å; E40-I67 WeakPolarHBondContact OE2-CD1 3.49Å; T65-I67 HydrophobicContact CG2-CG1 4.39Å; I67-M74 HydrophobicContact CB-CE 4.5Å; I67-M74 HydrophobicContact CG2-CE 4.05Å
68T93.3Very high82.1Confident79 Ų7969.5 Ų69.549%0.48540%0.404SS..EExtended strand (participates in β ladder)trans-115135.5176.1-590000110M35 V36 S37M35-T68 HydrophobicContact CE-CG2 3.91Å; V36-T68 CarbonylContact O-C 3.58Å; V36-T68 VanDerWaalsContact O-CA 3.25Å; V36-T68 WeakPolarHBondContact O-CA 3.3Å; S37-T68 WeakPolarHBondContact CB-OG1 3.26Å; S37-T68 PolarHBondContact OG-OG1 2.97Å
69G94.8Very high84.4Confident16 Ų1663.9 Ų63.917%0.16538%0.378CS..EExtended strand (participates in β ladder)trans-166.2175.7-179.700000112.6V36V36-G69 PolarHBondContact N-O 3.21Å; V36-G69 PolarHBondContact O-N 3.19Å
70V98.3Very high86.8Confident7 Ų765.9 Ų65.94%0.04237%0.368CS..EExtended strand (participates in β ladder)trans-71.3128.6172.5179.40000108.4M35 I72 V73 M74 L149 P158M35-V70 HydrophobicContact SD-CG2 3.73Å; V70-I72 VanDerWaalsContact C-N 3.28Å; V70-I72 HydrophobicContact CG1-CB 4.22Å; V70-I72 HydrophobicContact CG1-CD1 4.5Å; V70-I72 HydrophobicContact CG1-CG1 4.42Å; V70-I72 PolarHBondContact O-N 3.34Å; V70-V73 HydrophobicContact CB-CB 4.35Å; V70-V73 HydrophobicContact CB-CG2 4.09Å; V70-V73 WeakPolarHBondContact O-CB 3.48Å; V70-V73 PolarHBondContact O-N 2.84Å; V70-V73 VanDerWaalsContact O-N 3.08Å; V70-M74 WeakPolarHBondContact O-CG 3.32Å; V70-M74 PolarHBondContact O-N 3.32Å; V70-L149 HydrophobicContact CG1-CD1 4.45Å; V70-L149 HydrophobicContact CG2-CD1 3.98Å; V70-L149 HydrophobicContact CG2-CD2 3.79Å; V70-P158 HydrophobicContact CB-CB 4.47Å; V70-P158 HydrophobicContact CB-CG 4.48Å; V70-P158 HydrophobicContact CG1-CB 3.95Å; V70-P158 HydrophobicContact CG1-CG 3.87Å; V70-P158 HydrophobicContact CG2-CB 3.66Å; V70-P158 HydrophobicContact CG2-CG 3.97Å
71D98.2Very high88.9Confident11 Ų1159.1 Ų59.16%0.05934%0.339CS..Hα-helixtrans-61.1-33.5-17566.7-21.7000113.9Y18 G33 K34 V36 M74 N75Y18-D71 WeakPolarHBondContact CE1-OD2 3.36Å; Y18-D71 PolarHBondContact OH-O 3.46Å; G33-D71 VanDerWaalsContact CA-OD1 3.3Å; G33-D71 WeakPolarHBondContact CA-OD1 3.07Å; K34-D71 WeakPolarHBondContact CE-OD2 3.11Å; K34-D71 HydrophobicContact CG-CB 4.12Å; K34-D71 WeakPolarHBondContact CG-OD2 3.48Å; K34-D71 PolarHBondContact N-OD1 2.87Å; K34-D71 PolarHBondContact O-N 3.12Å; V36-D71 HydrophobicContact CB-CB 4.44Å; V36-D71 HydrophobicContact CG1-CB 3.83Å; V36-D71 HydrophobicContact CG2-CB 3.71Å; D71-M74 PolarHBondContact O-N 3.24Å; D71-N75 WeakPolarHBondContact O-CB 3.3Å; D71-N75 PolarHBondContact O-N 3.03Å; D71-N75 PolarHBondContact O-ND2 3.1Å
72I98.7Very high90.8Very high0 Ų061 Ų610%034%0.342CS..Hα-helixtrans-56.5-53.5171.5-56165.3000110.1F14 Y18 V31 V70 M74 N75 H76 L78 M160F14-I72 HydrophobicContact CB-CG2 4.12Å; Y18-I72 HydrophobicContact CD1-CD1 4.3Å; Y18-I72 HydrophobicContact CD1-CG1 3.7Å; Y18-I72 HydrophobicContact CD2-CG1 4.37Å; Y18-I72 HydrophobicContact CE1-CB 4.4Å; Y18-I72 HydrophobicContact CE1-CD1 4.41Å; Y18-I72 HydrophobicContact CE1-CG1 3.37Å; Y18-I72 HydrophobicContact CE2-CG1 4.12Å; Y18-I72 HydrophobicContact CG-CG1 4.19Å; Y18-I72 WeakPolarHBondContact OH-CA 3.49Å; Y18-I72 PolarHBondContact OH-N 2.8Å; V31-I72 HydrophobicContact CB-CD1 4.14Å; V31-I72 HydrophobicContact CG1-CD1 3.73Å; V31-I72 HydrophobicContact CG1-CG1 4.42Å; V70-I72 VanDerWaalsContact C-N 3.28Å; V70-I72 HydrophobicContact CG1-CB 4.22Å; V70-I72 HydrophobicContact CG1-CD1 4.5Å; V70-I72 HydrophobicContact CG1-CG1 4.42Å; V70-I72 PolarHBondContact O-N 3.34Å; I72-M74 VanDerWaalsContact C-N 3.32Å; I72-M74 PolarHBondContact O-N 2.94Å; I72-N75 PolarHBondContact O-N 2.83Å; I72-H76 PolarHBondContact O-CD2 3.11Å; I72-H76 VanDerWaalsContact O-CD2 3.28Å; I72-H76 PolarHBondContact O-N 2.9Å; I72-H76 VanDerWaalsContact O-N 3.08Å; I72-L78 HydrophobicContact CG2-CD1 4.38Å; I72-M160 HydrophobicContact CB-SD 3.98Å; I72-M160 HydrophobicContact CD1-CB 4.47Å; I72-M160 HydrophobicContact CD1-CG 4.22Å; I72-M160 HydrophobicContact CD1-SD 4.35Å; I72-M160 HydrophobicContact CG2-SD 3.74Å
73V98.6Very high92.6Very high20 Ų2057.8 Ų57.812%0.12132%0.318CS..Hα-helixtrans-58.5-46179.7172.40000110.8V70 H77 L78 F135 M160V70-V73 HydrophobicContact CB-CB 4.35Å; V70-V73 HydrophobicContact CB-CG2 4.09Å; V70-V73 WeakPolarHBondContact O-CB 3.48Å; V70-V73 PolarHBondContact O-N 2.84Å; V70-V73 VanDerWaalsContact O-N 3.08Å; V73-H77 WeakPolarHBondContact O-CA 3.38Å; V73-H77 PolarHBondContact O-N 3.09Å; V73-L78 HydrophobicContact CB-CB 4.46Å; V73-L78 HydrophobicContact CG1-CB 4.2Å; V73-L78 WeakPolarHBondContact CG1-O 3.28Å; V73-L78 HydrophobicContact CG2-CD1 4.42Å; V73-L78 PolarHBondContact O-N 3.47Å; V73-F135 HydrophobicContact CB-CD1 4.49Å; V73-F135 HydrophobicContact CB-CE1 4.25Å; V73-F135 HydrophobicContact CG1-CD1 3.85Å; V73-F135 HydrophobicContact CG1-CE1 3.5Å; V73-F135 VanDerWaalsContact CG1-CE1 3.5Å; V73-F135 HydrophobicContact CG1-CZ 4.36Å; V73-F135 HydrophobicContact CG2-CD1 3.8Å; V73-F135 HydrophobicContact CG2-CD2 4.43Å; V73-F135 HydrophobicContact CG2-CE1 3.66Å; V73-F135 HydrophobicContact CG2-CE2 4.32Å; V73-F135 HydrophobicContact CG2-CG 4.19Å; V73-F135 HydrophobicContact CG2-CZ 3.95Å; V73-M160 HydrophobicContact CG2-CE 4.1Å; V73-M160 HydrophobicContact CG2-SD 3.86Å
74M97Very high94.2Very high32 Ų3253.7 Ų53.716%0.15831%0.306CS..Hα-helixtrans-74.4-30.2-176.9-63-178.878.100114V36 R38 I67 V70 D71 I72V36-M74 HydrophobicContact CG2-SD 3.67Å; R38-M74 HydrophobicContact CB-CE 4.18Å; R38-M74 HydrophobicContact CG-CE 3.87Å; R38-M74 PolarHBondContact NH1-O 3.37Å; I67-M74 HydrophobicContact CB-CE 4.5Å; I67-M74 HydrophobicContact CG2-CE 4.05Å; V70-M74 WeakPolarHBondContact O-CG 3.32Å; V70-M74 PolarHBondContact O-N 3.32Å; D71-M74 PolarHBondContact O-N 3.24Å; I72-M74 VanDerWaalsContact C-N 3.32Å; I72-M74 PolarHBondContact O-N 2.94Å
75N96.8Very high95.7Very high63 Ų6355 Ų5534%0.33730%0.303SS..Hα-helixtrans-79.1-32.3179.6-78.5-15.4000112.5Y18 R38 D71 I72Y18-N75 PolarHBondContact OH-ND2 3.32Å; R38-N75 PolarHBondContact NH2-OD1 3.27Å; D71-N75 WeakPolarHBondContact O-CB 3.3Å; D71-N75 PolarHBondContact O-N 3.03Å; D71-N75 PolarHBondContact O-ND2 3.1Å; I72-N75 PolarHBondContact O-N 2.83Å
76H98Very high96.5Very high10 Ų1056.4 Ų56.45%0.04630%0.304CS..THydrogen-bonded Turntrans-108.514.6-176.1-59.2-68.9000112.4E12 F14 S15 Y18 I72 L78E12-H76 HydrophobicContact CG-CB 4.47Å; E12-H76 VanDerWaalsContact CG-ND1 3.3Å; E12-H76 WeakPolarHBondContact CG-ND1 3.47Å; E12-H76 IonicContact OE1-CE1 3.48Å; E12-H76 PolarHBondContact OE1-CE1 2.9Å; E12-H76 IonicContact OE1-ND1 3.76Å; E12-H76 PolarHBondContact OE1-ND1 3.38Å; F14-H76 WeakPolarHBondContact CA-NE2 3.47Å; S15-H76 PolarHBondContact N-NE2 3.42Å; Y18-H76 AromaticContact CE2-NE2 3.41Å; Y18-H76 WeakPolarHBondContact CE2-NE2 3.09Å; I72-H76 PolarHBondContact O-CD2 3.11Å; I72-H76 VanDerWaalsContact O-CD2 3.28Å; I72-H76 PolarHBondContact O-N 2.9Å; I72-H76 VanDerWaalsContact O-N 3.08Å; H76-L78 HydrophobicContact CB-CD2 4.19Å; H76-L78 HydrophobicContact CB-CG 4.18Å; H76-L78 PolarHBondContact O-N 3.04Å
77H97.4Very high97.1Very high103 Ų10354.5 Ų54.548%0.47730%0.297SS..THydrogen-bonded Turntrans50.334.9175.9-56.2-68.3000113.8V73 Q79 E138V73-H77 WeakPolarHBondContact O-CA 3.38Å; V73-H77 PolarHBondContact O-N 3.09Å; H77-Q79 PolarHBondContact O-NE2 3.35Å; H77-E138 HydrophobicContact CB-CB 4.12Å; H77-E138 HydrophobicContact CB-CG 3.82Å; H77-E138 IonicContact CG-OE1 3.27Å; H77-E138 WeakPolarHBondContact O-CA 3.22Å
78L98.7Very high97.5Very high8 Ų851.5 Ų51.54%0.04228%0.281CS..  trans-66.9141.6-179.4-54.6-176.8000110.2M13 I72 V73 H76 F135 I136 M160M13-L78 HydrophobicContact CE-CD2 3.87Å; M13-L78 HydrophobicContact SD-CD2 4.09Å; I72-L78 HydrophobicContact CG2-CD1 4.38Å; V73-L78 HydrophobicContact CB-CB 4.46Å; V73-L78 HydrophobicContact CG1-CB 4.2Å; V73-L78 WeakPolarHBondContact CG1-O 3.28Å; V73-L78 HydrophobicContact CG2-CD1 4.42Å; V73-L78 PolarHBondContact O-N 3.47Å; H76-L78 HydrophobicContact CB-CD2 4.19Å; H76-L78 HydrophobicContact CB-CG 4.18Å; H76-L78 PolarHBondContact O-N 3.04Å; L78-F135 HydrophobicContact CB-CB 4.24Å; L78-F135 HydrophobicContact CB-CD1 4.12Å; L78-I136 CarbonylContact C-O 3.4Å; L78-I136 WeakPolarHBondContact CA-O 3.43Å; L78-M160 HydrophobicContact CD1-CE 3.83Å; L78-M160 HydrophobicContact CD1-SD 4.1Å
79Q98.5Very high97.8Very high71 Ų7151.5 Ų51.533%0.33228%0.275SS..EExtended strand (participates in β ladder)trans-104.2122.8-174.9-58.8-60.5-51.500109.9H77 F135 I136 M140H77-Q79 PolarHBondContact O-NE2 3.35Å; Q79-F135 CarbonylContact O-C 3.59Å; Q79-F135 WeakPolarHBondContact O-CA 3.45Å; Q79-I136 HydrophobicContact CB-CG1 4.01Å; Q79-I136 PolarHBondContact N-O 3.29Å; Q79-I136 PolarHBondContact O-N 3.27Å; Q79-M140 HydrophobicContact CB-CG 3.94Å; Q79-M140 HydrophobicContact CG-CG 3.64Å; Q79-M140 HydrophobicContact CG-SD 4.26Å
80E98.3Very high97.9Very high117 Ų11757.8 Ų57.855%0.54730%0.298SS..EExtended strand (participates in β ladder)trans-67.2136.6175.4-168.6168.9-165.300110.1Q133 F134 F135E80-Q133 PolarHBondContact OE1-NE2 2.79Å; E80-F134 WeakPolarHBondContact CA-O 3.3Å; E80-F135 HydrophobicContact CB-CD1 4.05Å; E80-F135 HydrophobicContact CB-CE1 3.56Å; E80-F135 HydrophobicContact CB-CZ 3.99Å; E80-F135 HydrophobicContact CG-CE1 4.05Å; E80-F135 HydrophobicContact CG-CE2 4.45Å; E80-F135 HydrophobicContact CG-CZ 3.95Å
81T97.6Very high97.9Very high46 Ų4658.5 Ų58.528%0.28230%0.299SS..EExtended strand (participates in β ladder)trans-134.7171.3175.2-168.60000110.1F83 F134 I136T81-F83 HydrophobicContact CG2-CD2 4.3Å; T81-F83 HydrophobicContact CG2-CE2 3.78Å; T81-F134 HydrophobicContact CG2-CB 3.85Å; T81-F134 PolarHBondContact N-O 3.16Å; T81-I136 HydrophobicContact CG2-CG2 4Å
82S97Very high97.9Very high104 Ų10458.2 Ų58.273%0.72730%0.298SS*.  trans-133.6147179.667.30000111.5
83F97.7Very high97.9Very high50 Ų5064.2 Ų64.222%0.21932%0.324CS..  trans-129.6141.9178.2-76.8-84.8000110.7T81 A87 Y88 Y91 F129 F134 V146T81-F83 HydrophobicContact CG2-CD2 4.3Å; T81-F83 HydrophobicContact CG2-CE2 3.78Å; F83-A87 HydrophobicContact CD1-CB 3.91Å; F83-Y88 HydrophobicContact CB-CD2 4.42Å; F83-Y88 HydrophobicContact CD1-CD2 4.39Å; F83-Y88 HydrophobicContact CD2-CD2 4.02Å; F83-Y88 HydrophobicContact CE2-CD2 4.37Å; F83-Y88 HydrophobicContact CG-CD2 4.03Å; F83-Y91 HydrophobicContact CE1-CD1 4.42Å; F83-Y91 HydrophobicContact CE1-CG 4.08Å; F83-Y91 HydrophobicContact CZ-CD1 4.17Å; F83-Y91 HydrophobicContact CZ-CD2 4.48Å; F83-Y91 AromaticContact CZ-CG 3.98Å; F83-Y91 HydrophobicContact CZ-CG 3.98Å; F83-F129 HydrophobicContact CB-CE2 4.39Å; F83-F129 HydrophobicContact CB-CZ 3.75Å; F83-F129 WeakPolarHBondContact O-CE1 3.07Å; F83-F129 WeakPolarHBondContact O-CZ 3.28Å; F83-F134 HydrophobicContact CD2-CB 4.09Å; F83-F134 HydrophobicContact CD2-CD1 4.04Å; F83-F134 HydrophobicContact CD2-CD2 4.4Å; F83-F134 AromaticContact CD2-CG 3.91Å; F83-F134 HydrophobicContact CD2-CG 3.91Å; F83-F134 HydrophobicContact CE2-CB 4.41Å; F83-V146 HydrophobicContact CE2-CG1 4.08Å; F83-V146 HydrophobicContact CE2-CG2 3.76Å; F83-V146 HydrophobicContact CZ-CG2 3.92Å
84T98Very high97.8Very high94 Ų9466.1 Ų66.158%0.57733%0.334SS*.  trans-75.5155.9150.867.70000108.8E86 A87 Y88T84-E86 PolarHBondContact O-N 3.08Å; T84-E86 VanDerWaalsContact O-N 3.17Å; T84-A87 PolarHBondContact O-N 3.17Å; T84-A87 VanDerWaalsContact O-N 3.08Å; T84-A87 WeakPolarHBondContact OG1-CB 3.19Å; T84-A87 PolarHBondContact OG1-N 2.89Å; T84-A87 VanDerWaalsContact OG1-N 3.16Å; T84-Y88 PolarHBondContact O-N 2.69Å
85K97Very high97.9Very high89 Ų8964.8 Ų64.839%0.38733%0.327SS..Hα-helixtrans-56.3-34.8178.5-169166.7177.91650112.7K89 L126 F129K85-K89 VanDerWaalsContact O-CG 3.3Å; K85-K89 WeakPolarHBondContact O-CG 3.33Å; K85-K89 PolarHBondContact O-N 2.66Å; K85-K89 VanDerWaalsContact O-N 3.11Å; K85-L126 HydrophobicContact CD-CD2 4.48Å; K85-L126 VanDerWaalsContact CE-O 3.25Å; K85-L126 WeakPolarHBondContact CE-O 3.34Å; K85-L126 HydrophobicContact CG-CD2 3.8Å; K85-L126 PolarHBondContact NZ-O 3.39Å; K85-F129 HydrophobicContact CB-CD1 4.33Å; K85-F129 HydrophobicContact CB-CE1 4.31Å
86E97.9Very high97.9Very high120 Ų12063.4 Ų63.456%0.56132%0.319SS*.Hα-helixtrans-73.8-39.7176.4-62.6-51.1127.300112.7T84 Y88 K89 K90T84-E86 PolarHBondContact O-N 3.08Å; T84-E86 VanDerWaalsContact O-N 3.17Å; E86-Y88 VanDerWaalsContact C-N 3.34Å; E86-K89 PolarHBondContact O-N 2.86Å; E86-K89 IonicContact OE1-NZ 2.62Å; E86-K89 PolarHBondContact OE1-NZ 3.4Å; E86-K89 IonicContact OE2-NZ 3.47Å; E86-K90 PolarHBondContact O-N 3.19Å; E86-K90 VanDerWaalsContact O-N 3.11Å
87A98.2Very high97.9Very high42 Ų4268.4 Ų68.435%0.34734%0.34SS..Hα-helixtrans-62.6-42.4173.700000111.3F83 T84 K90 Y91F83-A87 HydrophobicContact CD1-CB 3.91Å; T84-A87 PolarHBondContact O-N 3.17Å; T84-A87 VanDerWaalsContact O-N 3.08Å; T84-A87 WeakPolarHBondContact OG1-CB 3.19Å; T84-A87 PolarHBondContact OG1-N 2.89Å; T84-A87 VanDerWaalsContact OG1-N 3.16Å; A87-K90 WeakPolarHBondContact O-CB 3.4Å; A87-K90 PolarHBondContact O-N 2.9Å; A87-Y91 PolarHBondContact O-N 3.24Å
88Y98.4Very high98Very high0 Ų066 Ų660%034%0.335CS..Hα-helixtrans-63.6-42.8176.9-172.1-99.5000112.1F83 T84 E86 K90 Y91 I92 I125 L126 F129 F134 V146 L148F83-Y88 HydrophobicContact CB-CD2 4.42Å; F83-Y88 HydrophobicContact CD1-CD2 4.39Å; F83-Y88 HydrophobicContact CD2-CD2 4.02Å; F83-Y88 HydrophobicContact CE2-CD2 4.37Å; F83-Y88 HydrophobicContact CG-CD2 4.03Å; T84-Y88 PolarHBondContact O-N 2.69Å; E86-Y88 VanDerWaalsContact C-N 3.34Å; Y88-K90 VanDerWaalsContact C-N 3.26Å; Y88-K90 PolarHBondContact O-N 2.88Å; Y88-Y91 AromaticContact CD2-CD1 3.91Å; Y88-Y91 HydrophobicContact CD2-CD1 3.91Å; Y88-Y91 HydrophobicContact CD2-CE1 4.41Å; Y88-Y91 AromaticContact CE2-CD1 3.89Å; Y88-Y91 HydrophobicContact CE2-CD1 3.89Å; Y88-Y91 AromaticContact CE2-CE1 3.93Å; Y88-Y91 HydrophobicContact CE2-CE1 3.93Å; Y88-Y91 PolarHBondContact O-N 3.1Å; Y88-I92 HydrophobicContact CD1-CG2 4.42Å; Y88-I92 HydrophobicContact CE1-CB 4.19Å; Y88-I92 HydrophobicContact CE1-CG1 4.45Å; Y88-I92 HydrophobicContact CE1-CG2 4.35Å; Y88-I92 WeakPolarHBondContact O-CB 3.42Å; Y88-I92 VanDerWaalsContact O-CG2 3.28Å; Y88-I92 WeakPolarHBondContact O-CG2 3.25Å; Y88-I92 PolarHBondContact O-N 3.22Å; Y88-I125 HydrophobicContact CE1-CG2 3.68Å; Y88-L126 HydrophobicContact CD1-CD2 4.02Å; Y88-F129 VanDerWaalsContact CB-CE2 3.5Å; Y88-F129 HydrophobicContact CD1-CD2 4.41Å; Y88-F129 HydrophobicContact CD1-CE2 4.02Å; Y88-F129 HydrophobicContact CD2-CE2 4.17Å; Y88-F129 HydrophobicContact CG-CD2 4.45Å; Y88-F129 AromaticContact CG-CE2 3.63Å; Y88-F129 HydrophobicContact CG-CE2 3.63Å; Y88-F134 HydrophobicContact CD2-CD1 4.09Å; Y88-F134 AromaticContact CD2-CE1 3.75Å; Y88-F134 HydrophobicContact CD2-CE1 3.75Å; Y88-F134 AromaticContact CE2-CD1 3.89Å; Y88-F134 HydrophobicContact CE2-CD1 3.89Å; Y88-F134 AromaticContact CE2-CE1 3.64Å; Y88-F134 HydrophobicContact CE2-CE1 3.64Å; Y88-F134 HydrophobicContact CG-CE1 4.5Å; Y88-V146 HydrophobicContact CE2-CG1 4.36Å; Y88-L148 HydrophobicContact CE2-CD2 4.4Å
89K98Very high97.9Very high79 Ų7965.7 Ų65.734%0.34333%0.333SS..Hα-helixtrans-57.6-39.1174.4-77.8172.6-175.9169.90112.4K85 E86 K93 L126K85-K89 VanDerWaalsContact O-CG 3.3Å; K85-K89 WeakPolarHBondContact O-CG 3.33Å; K85-K89 PolarHBondContact O-N 2.66Å; K85-K89 VanDerWaalsContact O-N 3.11Å; E86-K89 PolarHBondContact O-N 2.86Å; E86-K89 IonicContact OE1-NZ 2.62Å; E86-K89 PolarHBondContact OE1-NZ 3.4Å; E86-K89 IonicContact OE2-NZ 3.47Å; K89-K93 VanDerWaalsContact O-CB 3.3Å; K89-K93 WeakPolarHBondContact O-CB 3.5Å; K89-K93 PolarHBondContact O-N 2.71Å; K89-L126 HydrophobicContact CG-CD1 4.02Å; K89-L126 HydrophobicContact CG-CD2 3.88Å
90K98.3Very high97.9Very high148 Ų14865.6 Ų65.664%0.64333%0.332SS*.Hα-helixtrans-66.4-53.9176.1-175.3-173.8174.6-167.70110.4E86 A87 Y88 I92 K93 D94E86-K90 PolarHBondContact O-N 3.19Å; E86-K90 VanDerWaalsContact O-N 3.11Å; A87-K90 WeakPolarHBondContact O-CB 3.4Å; A87-K90 PolarHBondContact O-N 2.9Å; Y88-K90 VanDerWaalsContact C-N 3.26Å; Y88-K90 PolarHBondContact O-N 2.88Å; K90-I92 PolarHBondContact O-N 2.63Å; K90-K93 WeakPolarHBondContact O-CB 3.44Å; K90-K93 PolarHBondContact O-N 3.22Å; K90-D94 PolarHBondContact O-N 3.3Å
91Y98.3Very high97.9Very high21 Ų2161.2 Ų61.28%0.08232%0.318CS..Hα-helixtrans-51.6-56.1177.4153.8-100.3000111.4F83 A87 Y88 K93 D94 Y95 G144 V146F83-Y91 HydrophobicContact CE1-CD1 4.42Å; F83-Y91 HydrophobicContact CE1-CG 4.08Å; F83-Y91 HydrophobicContact CZ-CD1 4.17Å; F83-Y91 HydrophobicContact CZ-CD2 4.48Å; F83-Y91 AromaticContact CZ-CG 3.98Å; F83-Y91 HydrophobicContact CZ-CG 3.98Å; A87-Y91 PolarHBondContact O-N 3.24Å; Y88-Y91 AromaticContact CD2-CD1 3.91Å; Y88-Y91 HydrophobicContact CD2-CD1 3.91Å; Y88-Y91 HydrophobicContact CD2-CE1 4.41Å; Y88-Y91 AromaticContact CE2-CD1 3.89Å; Y88-Y91 HydrophobicContact CE2-CD1 3.89Å; Y88-Y91 AromaticContact CE2-CE1 3.93Å; Y88-Y91 HydrophobicContact CE2-CE1 3.93Å; Y88-Y91 PolarHBondContact O-N 3.1Å; Y91-K93 PolarHBondContact O-N 3.28Å; Y91-D94 PolarHBondContact O-N 2.9Å; Y91-Y95 HydrophobicContact CE2-CD2 4.27Å; Y91-Y95 HydrophobicContact CE2-CG 4.29Å; Y91-Y95 WeakPolarHBondContact O-CB 3.13Å; Y91-Y95 PolarHBondContact O-N 3.16Å; Y91-G144 VanDerWaalsContact CE2-O 3.3Å; Y91-G144 WeakPolarHBondContact CE2-O 3.47Å; Y91-G144 PolarHBondContact OH-O 2.93Å; Y91-V146 HydrophobicContact CD1-CG2 4.1Å; Y91-V146 HydrophobicContact CD2-CG2 4.26Å; Y91-V146 HydrophobicContact CE1-CB 3.67Å; Y91-V146 HydrophobicContact CE1-CG2 3.51Å; Y91-V146 HydrophobicContact CE2-CB 4.5Å; Y91-V146 HydrophobicContact CE2-CG2 3.68Å; Y91-V146 HydrophobicContact CG-CG2 4.46Å; Y91-V146 PolarHBondContact OH-N 3.48Å
92I98.1Very high97.9Very high5 Ų562.4 Ų62.43%0.02632%0.319CS..Hα-helixtrans-66-29.5-172.6-164.359.7000112.2Y88 K90 Y95 M96 I122 F163Y88-I92 HydrophobicContact CD1-CG2 4.42Å; Y88-I92 HydrophobicContact CE1-CB 4.19Å; Y88-I92 HydrophobicContact CE1-CG1 4.45Å; Y88-I92 HydrophobicContact CE1-CG2 4.35Å; Y88-I92 WeakPolarHBondContact O-CB 3.42Å; Y88-I92 VanDerWaalsContact O-CG2 3.28Å; Y88-I92 WeakPolarHBondContact O-CG2 3.25Å; Y88-I92 PolarHBondContact O-N 3.22Å; K90-I92 PolarHBondContact O-N 2.63Å; I92-Y95 HydrophobicContact CD1-CD1 3.95Å; I92-M96 WeakPolarHBondContact O-CB 3.33Å; I92-M96 VanDerWaalsContact O-CG 3.26Å; I92-M96 WeakPolarHBondContact O-CG 3.3Å; I92-M96 PolarHBondContact O-N 3.48Å; I92-I122 HydrophobicContact CD1-CD1 4.46Å; I92-I122 HydrophobicContact CG1-CD1 3.54Å; I92-I122 HydrophobicContact CG1-CG1 3.75Å; I92-I122 HydrophobicContact CG2-CD1 4.36Å; I92-I122 HydrophobicContact CG2-CG2 4.19Å; I92-F163 HydrophobicContact CD1-CE2 3.85Å; I92-F163 HydrophobicContact CD1-CZ 4.44Å
93K97.3Very high98Very high126 Ų12657.5 Ų57.555%0.54829%0.285SS..Hα-helixtrans-65.6-42.2173.5-179.4-177.5179.4-177.60111.6K89 K90 Y91 K97K89-K93 VanDerWaalsContact O-CB 3.3Å; K89-K93 WeakPolarHBondContact O-CB 3.5Å; K89-K93 PolarHBondContact O-N 2.71Å; K90-K93 WeakPolarHBondContact O-CB 3.44Å; K90-K93 PolarHBondContact O-N 3.22Å; Y91-K93 PolarHBondContact O-N 3.28Å; K93-K97 WeakPolarHBondContact O-CG 3.3Å; K93-K97 PolarHBondContact O-N 2.76Å
94D98.3Very high98Very high61 Ų6159.9 Ų59.933%0.32630%0.297SS..Hα-helixtrans-75.7-41.5179.8-67-29.4000110.7K90 Y91 M96 K97 S98K90-D94 PolarHBondContact O-N 3.3Å; Y91-D94 PolarHBondContact O-N 2.9Å; D94-M96 PolarHBondContact O-N 2.92Å; D94-K97 WeakPolarHBondContact O-CB 3.26Å; D94-K97 PolarHBondContact O-N 3.24Å; D94-K97 IonicContact OD1-NZ 3.21Å; D94-K97 PolarHBondContact OD1-NZ 3.24Å; D94-S98 PolarHBondContact O-N 3.39Å; D94-S98 VanDerWaalsContact O-N 3.08Å; D94-S98 PolarHBondContact O-OG 3.3Å
95Y98.4Very high97.9Very high3 Ų362.4 Ų62.41%0.01230%0.302CS..Hα-helixtrans-53.9-48.4171-177.8-102.6000112.3I8 Y91 I92 K97 S98 I99 M145 F163 G166I8-Y95 HydrophobicContact CD1-CD2 3.6Å; I8-Y95 HydrophobicContact CD1-CE2 3.55Å; I8-Y95 HydrophobicContact CG1-CE2 4.47Å; Y91-Y95 HydrophobicContact CE2-CD2 4.27Å; Y91-Y95 HydrophobicContact CE2-CG 4.29Å; Y91-Y95 WeakPolarHBondContact O-CB 3.13Å; Y91-Y95 PolarHBondContact O-N 3.16Å; I92-Y95 HydrophobicContact CD1-CD1 3.95Å; Y95-K97 VanDerWaalsContact C-N 3.27Å; Y95-K97 PolarHBondContact O-N 3.39Å; Y95-S98 WeakPolarHBondContact O-CB 3.25Å; Y95-S98 PolarHBondContact O-N 3.33Å; Y95-S98 VanDerWaalsContact O-N 3.11Å; Y95-I99 HydrophobicContact CD1-CG1 4.11Å; Y95-I99 HydrophobicContact CD2-CG1 4.48Å; Y95-I99 HydrophobicContact CE1-CD1 4.37Å; Y95-I99 HydrophobicContact CE1-CG1 3.64Å; Y95-I99 HydrophobicContact CE2-CD1 4.05Å; Y95-I99 HydrophobicContact CE2-CG1 4.04Å; Y95-I99 WeakPolarHBondContact O-CG1 3.35Å; Y95-I99 PolarHBondContact O-N 3.39Å; Y95-M145 HydrophobicContact CE2-CB 4.05Å; Y95-M145 WeakPolarHBondContact OH-CE 3.45Å; Y95-F163 HydrophobicContact CE1-CD2 4.22Å; Y95-G166 WeakPolarHBondContact OH-CA 3.21Å
96M97.3Very high97.8Very high34 Ų3463.4 Ų63.417%0.16731%0.308CS..Hα-helixtrans-58.5-36176.6-81.6-170.2-64.500113.2I92 D94 K100 F114 A118 I122I92-M96 WeakPolarHBondContact O-CB 3.33Å; I92-M96 VanDerWaalsContact O-CG 3.26Å; I92-M96 WeakPolarHBondContact O-CG 3.3Å; I92-M96 PolarHBondContact O-N 3.48Å; D94-M96 PolarHBondContact O-N 2.92Å; M96-K100 VanDerWaalsContact O-CB 3.23Å; M96-K100 WeakPolarHBondContact O-CB 3.3Å; M96-K100 PolarHBondContact O-N 2.89Å; M96-F114 HydrophobicContact CG-CE1 4.44Å; M96-F114 HydrophobicContact CG-CZ 4.49Å; M96-A118 HydrophobicContact SD-CB 4Å; M96-I122 HydrophobicContact CE-CD1 3.57Å; M96-I122 HydrophobicContact CG-CD1 4.1Å; M96-I122 HydrophobicContact SD-CD1 3.27Å; M96-I122 WeakPolarHBondContact SD-CD1 3.35Å
97K97.8Very high97.7Very high116 Ų11661.3 Ų61.350%0.50430%0.295SS..Hα-helixtrans-68.2-42.4176.5-66.5169.9-166.6156.70110.9K93 D94 Y95 K100 G101K93-K97 WeakPolarHBondContact O-CG 3.3Å; K93-K97 PolarHBondContact O-N 2.76Å; D94-K97 WeakPolarHBondContact O-CB 3.26Å; D94-K97 PolarHBondContact O-N 3.24Å; D94-K97 IonicContact OD1-NZ 3.21Å; D94-K97 PolarHBondContact OD1-NZ 3.24Å; Y95-K97 VanDerWaalsContact C-N 3.27Å; Y95-K97 PolarHBondContact O-N 3.39Å; K97-K100 WeakPolarHBondContact O-CB 3.5Å; K97-K100 PolarHBondContact O-N 3.05Å; K97-G101 PolarHBondContact O-N 3.36Å
98S98.2Very high97.7Very high53 Ų5363.1 Ų63.137%0.37130%0.303SS..Hα-helixtrans-61.2-48177.5-60.40000111D94 Y95 K100 G101 K102D94-S98 PolarHBondContact O-N 3.39Å; D94-S98 VanDerWaalsContact O-N 3.08Å; D94-S98 PolarHBondContact O-OG 3.3Å; Y95-S98 WeakPolarHBondContact O-CB 3.25Å; Y95-S98 PolarHBondContact O-N 3.33Å; Y95-S98 VanDerWaalsContact O-N 3.11Å; S98-K100 PolarHBondContact O-N 2.89Å; S98-G101 PolarHBondContact O-N 3.35Å; S98-K102 PolarHBondContact O-N 3.21Å; S98-K102 VanDerWaalsContact O-N 3.07Å
99I98.1Very high97.6Very high0 Ų069.1 Ų69.10%033%0.331CS..Hα-helixtrans-63.1-42.5175.4-61.3-50.9000111.1L7 I8 Y95 G101 K102 L103 F114L7-I99 HydrophobicContact CB-CD1 4.42Å; L7-I99 HydrophobicContact CD2-CD1 4.2Å; I8-I99 HydrophobicContact CD1-CD1 3.95Å; I8-I99 HydrophobicContact CG1-CD1 4.05Å; Y95-I99 HydrophobicContact CD1-CG1 4.11Å; Y95-I99 HydrophobicContact CD2-CG1 4.48Å; Y95-I99 HydrophobicContact CE1-CD1 4.37Å; Y95-I99 HydrophobicContact CE1-CG1 3.64Å; Y95-I99 HydrophobicContact CE2-CD1 4.05Å; Y95-I99 HydrophobicContact CE2-CG1 4.04Å; Y95-I99 WeakPolarHBondContact O-CG1 3.35Å; Y95-I99 PolarHBondContact O-N 3.39Å; I99-G101 VanDerWaalsContact C-N 3.31Å; I99-G101 PolarHBondContact O-N 3.05Å; I99-K102 PolarHBondContact O-N 2.92Å; I99-L103 HydrophobicContact CG2-CD1 3.93Å; I99-L103 HydrophobicContact CG2-CG 4.02Å; I99-L103 WeakPolarHBondContact O-CB 3.32Å; I99-L103 VanDerWaalsContact O-CG 3.28Å; I99-L103 WeakPolarHBondContact O-CG 3.34Å; I99-L103 PolarHBondContact O-N 2.71Å; I99-F114 HydrophobicContact CB-CE1 3.85Å; I99-F114 HydrophobicContact CB-CZ 3.88Å; I99-F114 HydrophobicContact CG1-CZ 4.39Å; I99-F114 HydrophobicContact CG2-CD1 4.04Å; I99-F114 HydrophobicContact CG2-CD2 4.45Å; I99-F114 HydrophobicContact CG2-CE1 3.54Å; I99-F114 HydrophobicContact CG2-CE2 4Å; I99-F114 HydrophobicContact CG2-CG 4.47Å; I99-F114 HydrophobicContact CG2-CZ 3.52Å
100K97.9Very high97.5Very high70 Ų7068.7 Ų68.730%0.30433%0.328SS..Hα-helixtrans-55.2-46.1175-175.8176.9178.2-81.60111.8M96 K97 S98 L103 E104 V111 M115M96-K100 VanDerWaalsContact O-CB 3.23Å; M96-K100 WeakPolarHBondContact O-CB 3.3Å; M96-K100 PolarHBondContact O-N 2.89Å; K97-K100 WeakPolarHBondContact O-CB 3.5Å; K97-K100 PolarHBondContact O-N 3.05Å; S98-K100 PolarHBondContact O-N 2.89Å; K100-L103 PolarHBondContact O-N 2.87Å; K100-E104 WeakPolarHBondContact CE-OE1 3.08Å; K100-E104 IonicContact NZ-OE1 3.24Å; K100-E104 PolarHBondContact NZ-OE1 2.88Å; K100-E104 IonicContact NZ-OE2 2.63Å; K100-E104 PolarHBondContact NZ-OE2 2.86Å; K100-E104 WeakPolarHBondContact O-CG 3.18Å; K100-E104 PolarHBondContact O-N 2.84Å; K100-V111 HydrophobicContact CG-CG1 4.09Å; K100-M115 HydrophobicContact CB-SD 4.07Å; K100-M115 HydrophobicContact CD-CE 4.4Å; K100-M115 HydrophobicContact CD-CG 4.27Å; K100-M115 HydrophobicContact CD-SD 4.02Å; K100-M115 HydrophobicContact CG-SD 4.29Å
101G98.3Very high97.5Very high24 Ų2462.7 Ų62.725%0.24730%0.303CS..Hα-helixtrans-60.2-47.1177.100000112.4K97 S98 I99 L103 E104 E105K97-G101 PolarHBondContact O-N 3.36Å; S98-G101 PolarHBondContact O-N 3.35Å; I99-G101 VanDerWaalsContact C-N 3.31Å; I99-G101 PolarHBondContact O-N 3.05Å; G101-L103 VanDerWaalsContact C-N 3.34Å; G101-L103 PolarHBondContact O-N 3.14Å; G101-E104 PolarHBondContact O-N 3.36Å; G101-E105 WeakPolarHBondContact O-CG 3.5Å; G101-E105 PolarHBondContact O-N 2.83Å
102K97.7Very high97.3Very high71 Ų7169.4 Ų69.431%0.30933%0.333SS..Hα-helixtrans-61.9-39.8175.9-67.2-67.5-172.61770112.9L7 S98 I99 E105 Q106L7-K102 HydrophobicContact CD2-CB 3.67Å; L7-K102 HydrophobicContact CD2-CG 4.07Å; L7-K102 HydrophobicContact CG-CB 4.34Å; L7-K102 HydrophobicContact CG-CG 4.25Å; S98-K102 PolarHBondContact O-N 3.21Å; S98-K102 VanDerWaalsContact O-N 3.07Å; I99-K102 PolarHBondContact O-N 2.92Å; K102-E105 PolarHBondContact O-N 3.44Å; K102-Q106 WeakPolarHBondContact O-CB 3.27Å; K102-Q106 WeakPolarHBondContact O-CG 3.18Å; K102-Q106 PolarHBondContact O-N 3.12Å
103L97.9Very high97.2Very high1 Ų172 Ų721%0.00535%0.35CS..Hα-helixtrans-67.4-40176.1-68.1-178.6000111.8I99 K100 G101 E105 Q106 R107 P108 R110 V111 F114 D165I99-L103 HydrophobicContact CG2-CD1 3.93Å; I99-L103 HydrophobicContact CG2-CG 4.02Å; I99-L103 WeakPolarHBondContact O-CB 3.32Å; I99-L103 VanDerWaalsContact O-CG 3.28Å; I99-L103 WeakPolarHBondContact O-CG 3.34Å; I99-L103 PolarHBondContact O-N 2.71Å; K100-L103 PolarHBondContact O-N 2.87Å; G101-L103 VanDerWaalsContact C-N 3.34Å; G101-L103 PolarHBondContact O-N 3.14Å; L103-E105 PolarHBondContact O-N 2.86Å; L103-Q106 PolarHBondContact O-N 2.87Å; L103-R107 HydrophobicContact CD2-CB 4.26Å; L103-R107 CarbonylContact O-C 2.87Å; L103-R107 WeakPolarHBondContact O-CA 3.28Å; L103-R107 PolarHBondContact O-N 2.85Å; L103-P108 VanDerWaalsContact O-CA 3.31Å; L103-P108 WeakPolarHBondContact O-CA 3.47Å; L103-R110 HydrophobicContact CD1-CB 4.26Å; L103-R110 HydrophobicContact CD2-CB 4.03Å; L103-V111 HydrophobicContact CB-CG2 3.61Å; L103-F114 HydrophobicContact CD1-CB 3.63Å; L103-F114 HydrophobicContact CD1-CD1 3.84Å; L103-F114 HydrophobicContact CD1-CG 3.75Å; L103-D165 HydrophobicContact CD1-CB 4.24Å; L103-D165 HydrophobicContact CD2-CB 4.26Å
104E98.2Very high97.2Very high101 Ų10166 Ų6647%0.47232%0.324SS..Hα-helixtrans-59.9-34.7175.5-75.9174153.900112K100 G101 V111K100-E104 WeakPolarHBondContact CE-OE1 3.08Å; K100-E104 IonicContact NZ-OE1 3.24Å; K100-E104 PolarHBondContact NZ-OE1 2.88Å; K100-E104 IonicContact NZ-OE2 2.63Å; K100-E104 PolarHBondContact NZ-OE2 2.86Å; K100-E104 WeakPolarHBondContact O-CG 3.18Å; K100-E104 PolarHBondContact O-N 2.84Å; G101-E104 PolarHBondContact O-N 3.36Å; E104-V111 HydrophobicContact CB-CG2 4.48Å; E104-V111 HydrophobicContact CG-CG1 4.48Å; E104-V111 HydrophobicContact CG-CG2 3.68Å
105E96.6Very high97.1Very high147 Ų14766.2 Ų66.269%0.68732%0.323SS*.Hα-helixtrans-77.3-44.3177.7-69.4172.4-172.500113.4G101 K102 L103G101-E105 WeakPolarHBondContact O-CG 3.5Å; G101-E105 PolarHBondContact O-N 2.83Å; K102-E105 PolarHBondContact O-N 3.44Å; L103-E105 PolarHBondContact O-N 2.86Å
106Q95.6Very high96.8Very high110 Ų11070.6 Ų70.651%0.51435%0.351SS..Hα-helixtrans-105.5-35.4-166.3-59.7178.96.300113.9K102 L103K102-Q106 WeakPolarHBondContact O-CB 3.27Å; K102-Q106 WeakPolarHBondContact O-CG 3.18Å; K102-Q106 PolarHBondContact O-N 3.12Å; L103-Q106 PolarHBondContact O-N 2.87Å
107R95.5Very high96.7Very high75 Ų7570.2 Ų70.228%0.28336%0.356SS..  trans-148.161.1-168.5-59.9-174.1-59.9152.29.2110.7L103 E109 R110 D165L103-R107 HydrophobicContact CD2-CB 4.26Å; L103-R107 CarbonylContact O-C 2.87Å; L103-R107 WeakPolarHBondContact O-CA 3.28Å; L103-R107 PolarHBondContact O-N 2.85Å; R107-E109 WeakPolarHBondContact CA-OE2 3.36Å; R107-E109 PolarHBondContact O-N 2.94Å; R107-E109 VanDerWaalsContact O-N 3.08Å; R107-R110 HydrophobicContact CB-CB 4.25Å; R107-R110 HydrophobicContact CB-CG 4.03Å; R107-R110 WeakPolarHBondContact O-CB 3.34Å; R107-R110 PolarHBondContact O-N 2.81Å; R107-D165 IonicContact CZ-OD1 2.76Å; R107-D165 IonicContact NH1-OD1 3.38Å; R107-D165 PolarHBondContact NH1-OD1 2.85Å; R107-D165 PolarHBondContact NH2-O 2.89Å; R107-D165 IonicContact NH2-OD1 2.78Å; R107-D165 PolarHBondContact NH2-OD1 3.09Å
108P97Very high96.6Very high81 Ų8164.7 Ų64.753%0.52633%0.332SS..Hα-helixtrans-60-26.2-169.722.6-34000113.2L103 R110 V111L103-P108 VanDerWaalsContact O-CA 3.31Å; L103-P108 WeakPolarHBondContact O-CA 3.47Å; P108-R110 PolarHBondContact O-N 2.89Å; P108-V111 WeakPolarHBondContact O-CB 3.43Å; P108-V111 WeakPolarHBondContact O-CG2 3.43Å; P108-V111 PolarHBondContact O-N 2.81Å
109E97.4Very high96.4Very high125 Ų12564.6 Ų64.658%0.58433%0.334SS*.Hα-helixtrans-64.1-23.7174.276.1-68.6166.100113.6R107 P113R107-E109 WeakPolarHBondContact CA-OE2 3.36Å; R107-E109 PolarHBondContact O-N 2.94Å; R107-E109 VanDerWaalsContact O-N 3.08Å; E109-P113 VanDerWaalsContact O-CD 3.25Å; E109-P113 WeakPolarHBondContact O-CD 3.34Å
110R95.9Very high96.2Very high71 Ų7169.9 Ų69.927%0.26836%0.359SS..Hα-helixtrans-83.8-16.9177.9-67.1-61.7-57.4163.71.4113.7L103 R107 P108 K112 P113 F114 D165L103-R110 HydrophobicContact CD1-CB 4.26Å; L103-R110 HydrophobicContact CD2-CB 4.03Å; R107-R110 HydrophobicContact CB-CB 4.25Å; R107-R110 HydrophobicContact CB-CG 4.03Å; R107-R110 WeakPolarHBondContact O-CB 3.34Å; R107-R110 PolarHBondContact O-N 2.81Å; P108-R110 PolarHBondContact O-N 2.89Å; R110-K112 PolarHBondContact O-N 2.92Å; R110-P113 WeakPolarHBondContact O-CD 3.3Å; R110-F114 VanDerWaalsContact O-CB 3.23Å; R110-F114 WeakPolarHBondContact O-CB 3.39Å; R110-F114 PolarHBondContact O-N 3.48Å; R110-D165 IonicContact CZ-OD1 2.75Å; R110-D165 IonicContact CZ-OD2 3.98Å; R110-D165 IonicContact NE-OD1 2.73Å; R110-D165 PolarHBondContact NE-OD1 2.87Å; R110-D165 IonicContact NE-OD2 3.55Å; R110-D165 PolarHBondContact NE-OD2 3.24Å; R110-D165 IonicContact NH2-OD1 2.96Å; R110-D165 IonicContact NH2-OD2 2.84Å; R110-D165 PolarHBondContact NH2-OD2 3.2Å
111V97.1Very high96.1Very high21 Ų2167.5 Ų67.513%0.12735%0.349CS..Hα-helixtrans-56.2-52.1-176.5173.90000111.7K100 L103 E104 P108 F114 M115K100-V111 HydrophobicContact CG-CG1 4.09Å; L103-V111 HydrophobicContact CB-CG2 3.61Å; E104-V111 HydrophobicContact CB-CG2 4.48Å; E104-V111 HydrophobicContact CG-CG1 4.48Å; E104-V111 HydrophobicContact CG-CG2 3.68Å; P108-V111 WeakPolarHBondContact O-CB 3.43Å; P108-V111 WeakPolarHBondContact O-CG2 3.43Å; P108-V111 PolarHBondContact O-N 2.81Å; V111-F114 PolarHBondContact O-N 2.89Å; V111-M115 HydrophobicContact CG1-CG 4.38Å; V111-M115 WeakPolarHBondContact O-CB 3.48Å; V111-M115 VanDerWaalsContact O-CG 3.26Å; V111-M115 WeakPolarHBondContact O-CG 3.45Å; V111-M115 PolarHBondContact O-N 3.16Å
112K95.6Very high96Very high163 Ų16367.1 Ų67.171%0.70934%0.341SS*.Hα-helixtrans-66.9-48.1-177.6178.5-178.6179.7-175.60112.6R110 F114 T116R110-K112 PolarHBondContact O-N 2.92Å; K112-F114 PolarHBondContact O-N 2.97Å; K112-T116 WeakPolarHBondContact O-CB 3.4Å; K112-T116 PolarHBondContact O-N 2.85Å; K112-T116 VanDerWaalsContact O-N 3.1Å; K112-T116 PolarHBondContact O-OG1 3.47Å
113P95.2Very high95.9Very high59 Ų5969.6 Ų69.638%0.38335%0.352SS..Hα-helixtrans-54.7-47.6172.2-28.334.6000113.3E109 R110 T116 G117E109-P113 VanDerWaalsContact O-CD 3.25Å; E109-P113 WeakPolarHBondContact O-CD 3.34Å; R110-P113 WeakPolarHBondContact O-CD 3.3Å; P113-T116 PolarHBondContact O-N 2.89Å; P113-G117 PolarHBondContact O-N 2.96Å
114F96.6Very high95.9Very high1 Ų173.8 Ų73.80%0.00437%0.371CS..Hα-helixtrans-61.3-54.2179.8175.8-105000111.6L27 M96 I99 L103 R110 V111 K112 T116 G117 A118 F163 D165L27-F114 HydrophobicContact CD1-CD2 3.84Å; L27-F114 HydrophobicContact CD1-CE2 4.45Å; M96-F114 HydrophobicContact CG-CE1 4.44Å; M96-F114 HydrophobicContact CG-CZ 4.49Å; I99-F114 HydrophobicContact CB-CE1 3.85Å; I99-F114 HydrophobicContact CB-CZ 3.88Å; I99-F114 HydrophobicContact CG1-CZ 4.39Å; I99-F114 HydrophobicContact CG2-CD1 4.04Å; I99-F114 HydrophobicContact CG2-CD2 4.45Å; I99-F114 HydrophobicContact CG2-CE1 3.54Å; I99-F114 HydrophobicContact CG2-CE2 4Å; I99-F114 HydrophobicContact CG2-CG 4.47Å; I99-F114 HydrophobicContact CG2-CZ 3.52Å; L103-F114 HydrophobicContact CD1-CB 3.63Å; L103-F114 HydrophobicContact CD1-CD1 3.84Å; L103-F114 HydrophobicContact CD1-CG 3.75Å; R110-F114 VanDerWaalsContact O-CB 3.23Å; R110-F114 WeakPolarHBondContact O-CB 3.39Å; R110-F114 PolarHBondContact O-N 3.48Å; V111-F114 PolarHBondContact O-N 2.89Å; K112-F114 PolarHBondContact O-N 2.97Å; F114-T116 VanDerWaalsContact C-N 3.26Å; F114-T116 PolarHBondContact O-N 3.14Å; F114-G117 PolarHBondContact O-N 2.83Å; F114-A118 HydrophobicContact CE2-CB 4.41Å; F114-A118 HydrophobicContact CZ-CB 4.38Å; F114-A118 WeakPolarHBondContact O-CB 3.49Å; F114-A118 PolarHBondContact O-N 2.75Å; F114-F163 HydrophobicContact CE2-CD1 4.26Å; F114-D165 HydrophobicContact CD2-CB 3.71Å; F114-D165 HydrophobicContact CE2-CB 4.2Å; F114-D165 HydrophobicContact CG-CB 4.34Å
115M95.7Very high95.8Very high64 Ų6469 Ų6932%0.31535%0.348SS..Hα-helixtrans-63.1-33.3-176.6-67.8-56.8-6100112.9K100 V111K100-M115 HydrophobicContact CB-SD 4.07Å; K100-M115 HydrophobicContact CD-CE 4.4Å; K100-M115 HydrophobicContact CD-CG 4.27Å; K100-M115 HydrophobicContact CD-SD 4.02Å; K100-M115 HydrophobicContact CG-SD 4.29Å; V111-M115 HydrophobicContact CG1-CG 4.38Å; V111-M115 WeakPolarHBondContact O-CB 3.48Å; V111-M115 VanDerWaalsContact O-CG 3.26Å; V111-M115 WeakPolarHBondContact O-CG 3.45Å; V111-M115 PolarHBondContact O-N 3.16Å
116T94Very high95.8Very high95 Ų9563.2 Ų63.258%0.58332%0.322SS*.Hα-helixtrans-73.8-49.5177.9-50.80000111.1K112 P113 F114K112-T116 WeakPolarHBondContact O-CB 3.4Å; K112-T116 PolarHBondContact O-N 2.85Å; K112-T116 VanDerWaalsContact O-N 3.1Å; K112-T116 PolarHBondContact O-OG1 3.47Å; P113-T116 PolarHBondContact O-N 2.89Å; F114-T116 VanDerWaalsContact C-N 3.26Å; F114-T116 PolarHBondContact O-N 3.14Å
117G94.3Very high96Very high27 Ų2761.8 Ų61.828%0.27833%0.329SS..Hα-helixtrans-67.7-40.4-179.700000112.7L27 P113 F114 A119 E120 Q121L27-G117 WeakPolarHBondContact CD2-O 3.39Å; P113-G117 PolarHBondContact O-N 2.96Å; F114-G117 PolarHBondContact O-N 2.83Å; G117-A119 VanDerWaalsContact C-N 3.26Å; G117-A119 PolarHBondContact O-N 3.18Å; G117-E120 PolarHBondContact O-N 3.5Å; G117-E120 VanDerWaalsContact O-N 3.1Å; G117-Q121 PolarHBondContact O-N 3.07Å
118A95.5Very high96Very high0 Ų060.7 Ų60.70%033%0.329CS..Hα-helixtrans-57.6-39179.400000111.9M96 F114 E120 Q121 I122M96-A118 HydrophobicContact SD-CB 4Å; F114-A118 HydrophobicContact CE2-CB 4.41Å; F114-A118 HydrophobicContact CZ-CB 4.38Å; F114-A118 WeakPolarHBondContact O-CB 3.49Å; F114-A118 PolarHBondContact O-N 2.75Å; A118-E120 VanDerWaalsContact C-N 3.29Å; A118-E120 PolarHBondContact O-N 3.04Å; A118-Q121 PolarHBondContact O-N 3.28Å; A118-I122 HydrophobicContact CB-CD1 4.38Å; A118-I122 VanDerWaalsContact O-CB 3.28Å; A118-I122 WeakPolarHBondContact O-CB 3.32Å; A118-I122 VanDerWaalsContact O-CD1 3.3Å; A118-I122 WeakPolarHBondContact O-CD1 3.37Å; A118-I122 WeakPolarHBondContact O-CG1 3.44Å; A118-I122 PolarHBondContact O-N 3.08Å
119A93.6Very high96Very high50 Ų5058 Ų5841%0.41331%0.309SS..Hα-helixtrans-59.6-39.1178.300000112.7G117 K123G117-A119 VanDerWaalsContact C-N 3.26Å; G117-A119 PolarHBondContact O-N 3.18Å; A119-K123 WeakPolarHBondContact O-CG 3.42Å; A119-K123 PolarHBondContact O-N 2.83Å
120E94.3Very high96Very high112 Ų11261.6 Ų61.652%0.52332%0.323SS..Hα-helixtrans-76.6-43.8178.7-166.955.9-147.600111.6G117 A118 I122 K123 H124G117-E120 PolarHBondContact O-N 3.5Å; G117-E120 VanDerWaalsContact O-N 3.1Å; A118-E120 VanDerWaalsContact C-N 3.29Å; A118-E120 PolarHBondContact O-N 3.04Å; E120-I122 VanDerWaalsContact C-N 3.28Å; E120-I122 PolarHBondContact O-N 3.36Å; E120-K123 WeakPolarHBondContact O-CB 3.44Å; E120-K123 PolarHBondContact O-N 3.08Å; E120-K123 VanDerWaalsContact O-N 3.09Å; E120-K123 IonicContact OE2-NZ 3.26Å; E120-K123 PolarHBondContact OE2-NZ 2.76Å; E120-H124 PolarHBondContact O-N 3.01Å
121Q96Very high96Very high20 Ų2062.7 Ų62.79%0.09333%0.334CS..Hα-helixtrans-60-39.3176.4-17561.816.100111.9L27 G117 A118 K123 H124 I125 F163L27-Q121 HydrophobicContact CD2-CB 3.58Å; L27-Q121 HydrophobicContact CD2-CG 4.17Å; G117-Q121 PolarHBondContact O-N 3.07Å; A118-Q121 PolarHBondContact O-N 3.28Å; Q121-K123 VanDerWaalsContact C-N 3.35Å; Q121-K123 PolarHBondContact O-N 2.83Å; Q121-H124 WeakPolarHBondContact O-CB 3.2Å; Q121-H124 PolarHBondContact O-N 2.62Å; Q121-I125 HydrophobicContact CG-CD1 3.92Å; Q121-I125 HydrophobicContact CG-CG1 4.48Å; Q121-I125 WeakPolarHBondContact O-CD1 3.29Å; Q121-I125 VanDerWaalsContact O-CG1 3.27Å; Q121-I125 WeakPolarHBondContact O-CG1 3.41Å; Q121-I125 PolarHBondContact O-N 2.99Å; Q121-F163 HydrophobicContact CB-CE1 4.22Å; Q121-F163 HydrophobicContact CG-CE1 3.88Å; Q121-F163 HydrophobicContact CG-CZ 4.03Å
122I96.2Very high96.1Very high16 Ų1662.4 Ų62.48%0.08233%0.331CS..Hα-helixtrans-65.2-38176.7-69.3165.4000111.3I92 M96 A118 E120 H124 I125 L126 F163I92-I122 HydrophobicContact CD1-CD1 4.46Å; I92-I122 HydrophobicContact CG1-CD1 3.54Å; I92-I122 HydrophobicContact CG1-CG1 3.75Å; I92-I122 HydrophobicContact CG2-CD1 4.36Å; I92-I122 HydrophobicContact CG2-CG2 4.19Å; M96-I122 HydrophobicContact CE-CD1 3.57Å; M96-I122 HydrophobicContact CG-CD1 4.1Å; M96-I122 HydrophobicContact SD-CD1 3.27Å; M96-I122 WeakPolarHBondContact SD-CD1 3.35Å; A118-I122 HydrophobicContact CB-CD1 4.38Å; A118-I122 VanDerWaalsContact O-CB 3.28Å; A118-I122 WeakPolarHBondContact O-CB 3.32Å; A118-I122 VanDerWaalsContact O-CD1 3.3Å; A118-I122 WeakPolarHBondContact O-CD1 3.37Å; A118-I122 WeakPolarHBondContact O-CG1 3.44Å; A118-I122 PolarHBondContact O-N 3.08Å; E120-I122 VanDerWaalsContact C-N 3.28Å; E120-I122 PolarHBondContact O-N 3.36Å; I122-H124 VanDerWaalsContact C-N 3.33Å; I122-I125 PolarHBondContact O-N 3.39Å; I122-L126 HydrophobicContact CG2-CD1 3.82Å; I122-L126 HydrophobicContact CG2-CG 4.23Å; I122-L126 WeakPolarHBondContact O-CB 3.32Å; I122-L126 WeakPolarHBondContact O-CG 3.39Å; I122-L126 PolarHBondContact O-N 2.92Å; I122-F163 HydrophobicContact CG1-CZ 4.39Å
123K96.4Very high96.2Very high123 Ų12357.7 Ų57.754%0.53531%0.311SS..Hα-helixtrans-61.8-44173.2-69.8176-153.6156.40111A119 E120 Q121 L126 A127A119-K123 WeakPolarHBondContact O-CG 3.42Å; A119-K123 PolarHBondContact O-N 2.83Å; E120-K123 WeakPolarHBondContact O-CB 3.44Å; E120-K123 PolarHBondContact O-N 3.08Å; E120-K123 VanDerWaalsContact O-N 3.09Å; E120-K123 IonicContact OE2-NZ 3.26Å; E120-K123 PolarHBondContact OE2-NZ 2.76Å; Q121-K123 VanDerWaalsContact C-N 3.35Å; Q121-K123 PolarHBondContact O-N 2.83Å; K123-L126 PolarHBondContact O-N 2.81Å; K123-A127 WeakPolarHBondContact O-CB 3.48Å; K123-A127 PolarHBondContact O-N 2.84Å
124H96.1Very high96.4Very high88 Ų8855.4 Ų55.441%0.40730%0.295SS..Hα-helixtrans-60.1-48.5177-176.282.7000111.5E120 Q121 I122 L126 A127 N128E120-H124 PolarHBondContact O-N 3.01Å; Q121-H124 WeakPolarHBondContact O-CB 3.2Å; Q121-H124 PolarHBondContact O-N 2.62Å; I122-H124 VanDerWaalsContact C-N 3.33Å; H124-L126 VanDerWaalsContact C-N 3.33Å; H124-L126 PolarHBondContact O-N 3.17Å; H124-A127 WeakPolarHBondContact O-CB 3.43Å; H124-A127 PolarHBondContact O-N 2.63Å; H124-A127 VanDerWaalsContact O-N 3.14Å; H124-N128 PolarHBondContact CE1-ND2 2.81Å; H124-N128 PolarHBondContact NE2-ND2 3.35Å; H124-N128 PolarHBondContact O-N 3.27Å; H124-N128 PolarHBondContact O-ND2 3.05Å
125I96.9Very high96.5Very high0 Ų055.9 Ų55.90%030%0.297CS..Hα-helixtrans-58.5-45.8176.8-66.3160.5000110.8Y88 Q121 I122 A127 N128 F129 Y132 L148 F163Y88-I125 HydrophobicContact CE1-CG2 3.68Å; Q121-I125 HydrophobicContact CG-CD1 3.92Å; Q121-I125 HydrophobicContact CG-CG1 4.48Å; Q121-I125 WeakPolarHBondContact O-CD1 3.29Å; Q121-I125 VanDerWaalsContact O-CG1 3.27Å; Q121-I125 WeakPolarHBondContact O-CG1 3.41Å; Q121-I125 PolarHBondContact O-N 2.99Å; I122-I125 PolarHBondContact O-N 3.39Å; I125-A127 VanDerWaalsContact C-N 3.3Å; I125-A127 PolarHBondContact O-N 2.92Å; I125-N128 CarbonylContact O-C 3.46Å; I125-N128 PolarHBondContact O-N 2.74Å; I125-F129 WeakPolarHBondContact O-CA 3.41Å; I125-F129 PolarHBondContact O-N 2.73Å; I125-Y132 HydrophobicContact CB-CE2 4.47Å; I125-Y132 HydrophobicContact CG2-CD2 4.22Å; I125-Y132 HydrophobicContact CG2-CE2 4.26Å; I125-L148 HydrophobicContact CB-CD1 4.37Å; I125-L148 HydrophobicContact CD1-CD1 3.56Å; I125-L148 HydrophobicContact CG1-CD1 3.58Å; I125-L148 HydrophobicContact CG2-CD1 3.84Å; I125-F163 HydrophobicContact CD1-CE2 4.34Å; I125-F163 HydrophobicContact CD1-CZ 4.02Å
126L97.6Very high96.6Very high26 Ų2653.5 Ų53.514%0.13629%0.286CS..Hα-helixtrans-67-29.5179.4-72173.6000112.9K85 Y88 K89 I122 K123 H124 F129K85-L126 HydrophobicContact CD-CD2 4.48Å; K85-L126 VanDerWaalsContact CE-O 3.25Å; K85-L126 WeakPolarHBondContact CE-O 3.34Å; K85-L126 HydrophobicContact CG-CD2 3.8Å; K85-L126 PolarHBondContact NZ-O 3.39Å; Y88-L126 HydrophobicContact CD1-CD2 4.02Å; K89-L126 HydrophobicContact CG-CD1 4.02Å; K89-L126 HydrophobicContact CG-CD2 3.88Å; I122-L126 HydrophobicContact CG2-CD1 3.82Å; I122-L126 HydrophobicContact CG2-CG 4.23Å; I122-L126 WeakPolarHBondContact O-CB 3.32Å; I122-L126 WeakPolarHBondContact O-CG 3.39Å; I122-L126 PolarHBondContact O-N 2.92Å; K123-L126 PolarHBondContact O-N 2.81Å; H124-L126 VanDerWaalsContact C-N 3.33Å; H124-L126 PolarHBondContact O-N 3.17Å; L126-F129 HydrophobicContact CD2-CD2 4.5Å
127A98Very high96.8Very high80 Ų8049.1 Ų49.166%0.66126%0.259SS*.Hα-helixtrans-70.5-40.8175.100000111.3K123 H124 I125K123-A127 WeakPolarHBondContact O-CB 3.48Å; K123-A127 PolarHBondContact O-N 2.84Å; H124-A127 WeakPolarHBondContact O-CB 3.43Å; H124-A127 PolarHBondContact O-N 2.63Å; H124-A127 VanDerWaalsContact O-N 3.14Å; I125-A127 VanDerWaalsContact C-N 3.3Å; I125-A127 PolarHBondContact O-N 2.92Å
128N96.5Very high97Very high52 Ų5253 Ų5328%0.27827%0.27SS..SBendtrans-99.219-179.3-61.2-51.7000113.5H124 I125 K130 N131 Y132H124-N128 PolarHBondContact CE1-ND2 2.81Å; H124-N128 PolarHBondContact NE2-ND2 3.35Å; H124-N128 PolarHBondContact O-N 3.27Å; H124-N128 PolarHBondContact O-ND2 3.05Å; I125-N128 CarbonylContact O-C 3.46Å; I125-N128 PolarHBondContact O-N 2.74Å; N128-K130 PolarHBondContact O-N 2.63Å; N128-N131 WeakPolarHBondContact O-CB 3.46Å; N128-N131 PolarHBondContact O-N 3.37Å; N128-Y132 HydrophobicContact CB-CE2 3.74Å; N128-Y132 WeakPolarHBondContact O-CD2 3.39Å
129F97.7Very high97.1Very high25 Ų2558.8 Ų58.811%0.1130%0.301CS..THydrogen-bonded Turntrans-52.9-33.1-166.8-174.7-97.4000114.9F83 K85 Y88 I125 L126 N131 F134F83-F129 HydrophobicContact CB-CE2 4.39Å; F83-F129 HydrophobicContact CB-CZ 3.75Å; F83-F129 WeakPolarHBondContact O-CE1 3.07Å; F83-F129 WeakPolarHBondContact O-CZ 3.28Å; K85-F129 HydrophobicContact CB-CD1 4.33Å; K85-F129 HydrophobicContact CB-CE1 4.31Å; Y88-F129 VanDerWaalsContact CB-CE2 3.5Å; Y88-F129 HydrophobicContact CD1-CD2 4.41Å; Y88-F129 HydrophobicContact CD1-CE2 4.02Å; Y88-F129 HydrophobicContact CD2-CE2 4.17Å; Y88-F129 HydrophobicContact CG-CD2 4.45Å; Y88-F129 AromaticContact CG-CE2 3.63Å; Y88-F129 HydrophobicContact CG-CE2 3.63Å; I125-F129 WeakPolarHBondContact O-CA 3.41Å; I125-F129 PolarHBondContact O-N 2.73Å; L126-F129 HydrophobicContact CD2-CD2 4.5Å; F129-N131 VanDerWaalsContact C-N 3.29Å; F129-N131 PolarHBondContact O-N 2.8Å; F129-F134 HydrophobicContact CD2-CE1 4.39Å; F129-F134 AromaticContact CD2-CZ 3.72Å; F129-F134 HydrophobicContact CD2-CZ 3.72Å; F129-F134 HydrophobicContact CE1-CE2 4.4Å; F129-F134 HydrophobicContact CE1-CZ 4.3Å; F129-F134 AromaticContact CE2-CE1 3.86Å; F129-F134 HydrophobicContact CE2-CE1 3.86Å; F129-F134 HydrophobicContact CE2-CE2 4.07Å; F129-F134 AromaticContact CE2-CZ 3.27Å; F129-F134 HydrophobicContact CE2-CZ 3.27Å; F129-F134 HydrophobicContact CG-CZ 4.39Å; F129-F134 HydrophobicContact CZ-CE1 4.46Å; F129-F134 AromaticContact CZ-CE2 3.93Å; F129-F134 HydrophobicContact CZ-CE2 3.93Å; F129-F134 AromaticContact CZ-CZ 3.61Å; F129-F134 HydrophobicContact CZ-CZ 3.61Å
130K96.4Very high97.3Very high201 Ų20161.6 Ų61.687%0.87431%0.307SS*.THydrogen-bonded Turntrans-76.4-15-178.5-65.3-174.4177.5-175.80113.9N128N128-K130 PolarHBondContact O-N 2.63Å
131N96.3Very high97.4Very high94 Ų9458.7 Ų58.750%0.50330%0.295SS..THydrogen-bonded Turntrans-82.5-26.6-179.7-59.5-0.1000111N128 F129N128-N131 WeakPolarHBondContact O-CB 3.46Å; N128-N131 PolarHBondContact O-N 3.37Å; F129-N131 VanDerWaalsContact C-N 3.29Å; F129-N131 PolarHBondContact O-N 2.8Å
132Y98.4Very high97.4Very high15 Ų1562.4 Ų62.46%0.05932%0.321CS..  trans-85.2135.2-174.6-58.7-62.4000112.4I125 N128 F134 L148 L149 D150 I161I125-Y132 HydrophobicContact CB-CE2 4.47Å; I125-Y132 HydrophobicContact CG2-CD2 4.22Å; I125-Y132 HydrophobicContact CG2-CE2 4.26Å; N128-Y132 HydrophobicContact CB-CE2 3.74Å; N128-Y132 WeakPolarHBondContact O-CD2 3.39Å; Y132-F134 VanDerWaalsContact O-CE2 3.32Å; Y132-F134 WeakPolarHBondContact O-CE2 3.5Å; Y132-L148 HydrophobicContact CD1-CB 3.91Å; Y132-L148 HydrophobicContact CG-CB 4.2Å; Y132-L149 WeakPolarHBondContact CA-O 3.3Å; Y132-D150 HydrophobicContact CD1-CB 3.78Å; Y132-D150 HydrophobicContact CE1-CB 3.81Å; Y132-I161 HydrophobicContact CE1-CD1 4.17Å
133Q98.5Very high97.4Very high63 Ų6366.7 Ų66.729%0.29434%0.344SS..EExtended strand (participates in β ladder)trans-90.7144.3155.9-64.3176.9-98.700108.8E80 F135 L149E80-Q133 PolarHBondContact OE1-NE2 2.79Å; Q133-F135 HydrophobicContact CB-CD2 4.47Å; Q133-F135 HydrophobicContact CB-CE2 3.74Å; Q133-L149 HydrophobicContact CB-CB 4.15Å; Q133-L149 HydrophobicContact CB-CD2 4.31Å; Q133-L149 PolarHBondContact N-O 2.88Å; Q133-L149 PolarHBondContact O-N 2.81Å
134F98.7Very high97.5Very high12 Ų1261 Ų615%0.05332%0.32CS..EExtended strand (participates in β ladder)trans-110.4130.2-172.2-58.6-89.6000109.8E80 T81 F83 Y88 F129 Y132 V146 L148E80-F134 WeakPolarHBondContact CA-O 3.3Å; T81-F134 HydrophobicContact CG2-CB 3.85Å; T81-F134 PolarHBondContact N-O 3.16Å; F83-F134 HydrophobicContact CD2-CB 4.09Å; F83-F134 HydrophobicContact CD2-CD1 4.04Å; F83-F134 HydrophobicContact CD2-CD2 4.4Å; F83-F134 AromaticContact CD2-CG 3.91Å; F83-F134 HydrophobicContact CD2-CG 3.91Å; F83-F134 HydrophobicContact CE2-CB 4.41Å; Y88-F134 HydrophobicContact CD2-CD1 4.09Å; Y88-F134 AromaticContact CD2-CE1 3.75Å; Y88-F134 HydrophobicContact CD2-CE1 3.75Å; Y88-F134 AromaticContact CE2-CD1 3.89Å; Y88-F134 HydrophobicContact CE2-CD1 3.89Å; Y88-F134 AromaticContact CE2-CE1 3.64Å; Y88-F134 HydrophobicContact CE2-CE1 3.64Å; Y88-F134 HydrophobicContact CG-CE1 4.5Å; F129-F134 HydrophobicContact CD2-CE1 4.39Å; F129-F134 AromaticContact CD2-CZ 3.72Å; F129-F134 HydrophobicContact CD2-CZ 3.72Å; F129-F134 HydrophobicContact CE1-CE2 4.4Å; F129-F134 HydrophobicContact CE1-CZ 4.3Å; F129-F134 AromaticContact CE2-CE1 3.86Å; F129-F134 HydrophobicContact CE2-CE1 3.86Å; F129-F134 HydrophobicContact CE2-CE2 4.07Å; F129-F134 AromaticContact CE2-CZ 3.27Å; F129-F134 HydrophobicContact CE2-CZ 3.27Å; F129-F134 HydrophobicContact CG-CZ 4.39Å; F129-F134 HydrophobicContact CZ-CE1 4.46Å; F129-F134 AromaticContact CZ-CE2 3.93Å; F129-F134 HydrophobicContact CZ-CE2 3.93Å; F129-F134 AromaticContact CZ-CZ 3.61Å; F129-F134 HydrophobicContact CZ-CZ 3.61Å; Y132-F134 VanDerWaalsContact O-CE2 3.32Å; Y132-F134 WeakPolarHBondContact O-CE2 3.5Å; F134-V146 HydrophobicContact CB-CG1 3.79Å; F134-V146 HydrophobicContact CD1-CG1 3.71Å; F134-V146 HydrophobicContact CG-CG1 4.24Å; F134-L148 HydrophobicContact CD1-CD2 3.39Å; F134-L148 HydrophobicContact CE1-CD2 3.42Å; F134-L148 VanDerWaalsContact CE1-CD2 3.42Å; F134-L148 HydrophobicContact CG-CD2 4.49Å
135F98.8Very high97.6Very high10 Ų1056.8 Ų56.84%0.04430%0.301CS..EExtended strand (participates in β ladder)trans-127.7140.8-179.5-72.1-92.5000110.8V73 L78 Q79 E80 Q133 V146 A147 L149 M160V73-F135 HydrophobicContact CB-CD1 4.49Å; V73-F135 HydrophobicContact CB-CE1 4.25Å; V73-F135 HydrophobicContact CG1-CD1 3.85Å; V73-F135 HydrophobicContact CG1-CE1 3.5Å; V73-F135 VanDerWaalsContact CG1-CE1 3.5Å; V73-F135 HydrophobicContact CG1-CZ 4.36Å; V73-F135 HydrophobicContact CG2-CD1 3.8Å; V73-F135 HydrophobicContact CG2-CD2 4.43Å; V73-F135 HydrophobicContact CG2-CE1 3.66Å; V73-F135 HydrophobicContact CG2-CE2 4.32Å; V73-F135 HydrophobicContact CG2-CG 4.19Å; V73-F135 HydrophobicContact CG2-CZ 3.95Å; L78-F135 HydrophobicContact CB-CB 4.24Å; L78-F135 HydrophobicContact CB-CD1 4.12Å; Q79-F135 CarbonylContact O-C 3.59Å; Q79-F135 WeakPolarHBondContact O-CA 3.45Å; E80-F135 HydrophobicContact CB-CD1 4.05Å; E80-F135 HydrophobicContact CB-CE1 3.56Å; E80-F135 HydrophobicContact CB-CZ 3.99Å; E80-F135 HydrophobicContact CG-CE1 4.05Å; E80-F135 HydrophobicContact CG-CE2 4.45Å; E80-F135 HydrophobicContact CG-CZ 3.95Å; Q133-F135 HydrophobicContact CB-CD2 4.47Å; Q133-F135 HydrophobicContact CB-CE2 3.74Å; F135-V146 CarbonylContact O-C 3.53Å; F135-V146 VanDerWaalsContact O-CA 3.28Å; F135-V146 WeakPolarHBondContact O-CA 3.34Å; F135-A147 HydrophobicContact CB-CB 4.42Å; F135-A147 PolarHBondContact N-O 3.4Å; F135-A147 PolarHBondContact O-N 3.05Å; F135-L149 HydrophobicContact CD2-CB 3.92Å; F135-L149 HydrophobicContact CE2-CB 3.72Å; F135-L149 HydrophobicContact CE2-CD2 3.58Å; F135-L149 HydrophobicContact CE2-CG 4.29Å; F135-L149 HydrophobicContact CZ-CD2 4.08Å; F135-M160 HydrophobicContact CB-CE 3.77Å; F135-M160 HydrophobicContact CD2-CE 3.76Å; F135-M160 HydrophobicContact CG-CE 3.86Å
136I98.6Very high97.7Very high14 Ų1457 Ų577%0.07230%0.302CS..EExtended strand (participates in β ladder)trans-116.3166.3172.159-176.8000109.8L78 Q79 T81 M140 V146L78-I136 CarbonylContact C-O 3.4Å; L78-I136 WeakPolarHBondContact CA-O 3.43Å; Q79-I136 HydrophobicContact CB-CG1 4.01Å; Q79-I136 PolarHBondContact N-O 3.29Å; Q79-I136 PolarHBondContact O-N 3.27Å; T81-I136 HydrophobicContact CG2-CG2 4Å; I136-M140 HydrophobicContact CD1-CB 3.89Å; I136-M140 HydrophobicContact CD1-CG 4.31Å; I136-V146 HydrophobicContact CG2-CB 4.48Å; I136-V146 HydrophobicContact CG2-CG2 3.69Å
137G98.4Very high97.7Very high3 Ų355.8 Ų55.83%0.03130%0.296CS..  trans-62.6165.4176.200000113.3D11 N139 M140D11-G137 WeakPolarHBondContact OD2-CA 3.25Å; G137-N139 VanDerWaalsContact C-N 3.26Å; G137-N139 PolarHBondContact O-N 3.01Å; G137-M140 PolarHBondContact O-N 2.97Å
138E98.4Very high97.8Very high108 Ų10852.2 Ų52.251%0.50527%0.265SS..THydrogen-bonded Turntrans-53.4-39.5-175-175.9176.5-16700113.3H77 M140H77-E138 HydrophobicContact CB-CB 4.12Å; H77-E138 HydrophobicContact CB-CG 3.82Å; H77-E138 IonicContact CG-OE1 3.27Å; H77-E138 WeakPolarHBondContact O-CA 3.22Å; E138-M140 PolarHBondContact O-N 3.41Å; E138-M140 VanDerWaalsContact O-N 3.12Å
139N97.9Very high97.9Very high122 Ų12249.8 Ų49.865%0.65225%0.253SS*.THydrogen-bonded Turntrans-73.1-0.4179.6-73.5-49.5000113.9D11 G137 N141D11-N139 WeakPolarHBondContact OD1-CB 3.37Å; D11-N139 VanDerWaalsContact OD1-CG 3.28Å; D11-N139 PolarHBondContact OD1-N 2.86Å; D11-N139 PolarHBondContact OD1-ND2 2.88Å; G137-N139 VanDerWaalsContact C-N 3.26Å; G137-N139 PolarHBondContact O-N 3.01Å; N139-N141 PolarHBondContact O-N 2.99Å; N139-N141 VanDerWaalsContact O-N 3.1Å
140M97.2Very high97.9Very high110 Ų11049.8 Ų49.854%0.54225%0.254SS..  trans53.931178.6-57.518074.400113.8Q79 I136 G137 E138 P142Q79-M140 HydrophobicContact CB-CG 3.94Å; Q79-M140 HydrophobicContact CG-CG 3.64Å; Q79-M140 HydrophobicContact CG-SD 4.26Å; I136-M140 HydrophobicContact CD1-CB 3.89Å; I136-M140 HydrophobicContact CD1-CG 4.31Å; G137-M140 PolarHBondContact O-N 2.97Å; E138-M140 PolarHBondContact O-N 3.41Å; E138-M140 VanDerWaalsContact O-N 3.12Å; M140-P142 VanDerWaalsContact O-CD 3.32Å; M140-P142 WeakPolarHBondContact O-CD 3.26Å
141N97.3Very high98Very high51 Ų5143.5 Ų43.527%0.27323%0.225SC..  trans-66116.1-179.7-175.1-22.5000109.8N139 D143 G144N139-N141 PolarHBondContact O-N 2.99Å; N139-N141 VanDerWaalsContact O-N 3.1Å; N141-D143 PolarHBondContact O-N 3.1Å; N141-D143 WeakPolarHBondContact OD1-CB 3.32Å; N141-D143 PolarHBondContact OD1-N 2.87Å; N141-G144 PolarHBondContact O-N 2.84Å; N141-G144 VanDerWaalsContact O-N 3.12Å
142P94.9Very high98Very high98 Ų9841.2 Ų41.264%0.63621%0.209SC*.THydrogen-bonded Turntrans-70.3-15.8-175.130.7-37.1000113.6M140M140-P142 VanDerWaalsContact O-CD 3.32Å; M140-P142 WeakPolarHBondContact O-CD 3.26Å
143D96.5Very high97.8Very high105 Ų10550.6 Ų50.656%0.56125%0.254SS*.THydrogen-bonded Turntrans-90.3-13177.1-60.8-35.7000112.4I8 N141I8-D143 VanDerWaalsContact CD1-O 3.29Å; I8-D143 WeakPolarHBondContact CD1-O 3.42Å; I8-D143 HydrophobicContact CG2-CB 4.34Å; N141-D143 PolarHBondContact O-N 3.1Å; N141-D143 WeakPolarHBondContact OD1-CB 3.32Å; N141-D143 PolarHBondContact OD1-N 2.87Å
144G97.8Very high97.7Very high3 Ų351.9 Ų51.93%0.03126%0.262CS..SBendtrans-74.1-177.6-179.200000114D6 Y91 N141 V146D6-G144 WeakPolarHBondContact OD2-CA 3.23Å; Y91-G144 VanDerWaalsContact CE2-O 3.3Å; Y91-G144 WeakPolarHBondContact CE2-O 3.47Å; Y91-G144 PolarHBondContact OH-O 2.93Å; N141-G144 PolarHBondContact O-N 2.84Å; N141-G144 VanDerWaalsContact O-N 3.12Å; G144-V146 PolarHBondContact O-N 2.83Å
145M98.6Very high97.5Very high1 Ų153.7 Ų53.71%0.00529%0.285CS..  trans-67.7131.2178.7-174.2-178.7-62.700112.2D6 Y95 F162 F163 G166 L167D6-M145 HydrophobicContact CB-CB 4.26Å; D6-M145 VanDerWaalsContact CG-N 3.34Å; D6-M145 WeakPolarHBondContact OD1-CB 3.34Å; D6-M145 PolarHBondContact OD2-N 3.3Å; Y95-M145 HydrophobicContact CE2-CB 4.05Å; Y95-M145 WeakPolarHBondContact OH-CE 3.45Å; M145-F162 HydrophobicContact SD-CB 3.79Å; M145-F162 HydrophobicContact SD-CD1 3.69Å; M145-F162 HydrophobicContact SD-CG 4.23Å; M145-F163 HydrophobicContact CE-CB 4.33Å; M145-F163 VanDerWaalsContact CE-O 3.25Å; M145-F163 WeakPolarHBondContact CE-O 3.14Å; M145-G166 VanDerWaalsContact CE-O 3.3Å; M145-G166 WeakPolarHBondContact CE-O 3.35Å; M145-L167 HydrophobicContact CE-CD2 3.71Å; M145-L167 HydrophobicContact CE-CG 3.87Å; M145-L167 HydrophobicContact SD-CD2 4.14Å
146V98.7Very high97.3Very high5 Ų557.9 Ų57.93%0.0331%0.311CS..  trans-93.7110.1161.6178.20000109.5F83 Y88 Y91 F134 F135 I136 G144 L148F83-V146 HydrophobicContact CE2-CG1 4.08Å; F83-V146 HydrophobicContact CE2-CG2 3.76Å; F83-V146 HydrophobicContact CZ-CG2 3.92Å; Y88-V146 HydrophobicContact CE2-CG1 4.36Å; Y91-V146 HydrophobicContact CD1-CG2 4.1Å; Y91-V146 HydrophobicContact CD2-CG2 4.26Å; Y91-V146 HydrophobicContact CE1-CB 3.67Å; Y91-V146 HydrophobicContact CE1-CG2 3.51Å; Y91-V146 HydrophobicContact CE2-CB 4.5Å; Y91-V146 HydrophobicContact CE2-CG2 3.68Å; Y91-V146 HydrophobicContact CG-CG2 4.46Å; Y91-V146 PolarHBondContact OH-N 3.48Å; F134-V146 HydrophobicContact CB-CG1 3.79Å; F134-V146 HydrophobicContact CD1-CG1 3.71Å; F134-V146 HydrophobicContact CG-CG1 4.24Å; F135-V146 CarbonylContact O-C 3.53Å; F135-V146 VanDerWaalsContact O-CA 3.28Å; F135-V146 WeakPolarHBondContact O-CA 3.34Å; I136-V146 HydrophobicContact CG2-CB 4.48Å; I136-V146 HydrophobicContact CG2-CG2 3.69Å; G144-V146 PolarHBondContact O-N 2.83Å; V146-L148 HydrophobicContact CG1-CD2 4.39Å
147A98.8Very high97.3Very high0 Ų059 Ų590%032%0.319CS..EExtended strand (participates in β ladder)trans-78.6145.8170.200000111M13 F135 M160 F162M13-A147 HydrophobicContact CE-CB 4.03Å; F135-A147 HydrophobicContact CB-CB 4.42Å; F135-A147 PolarHBondContact N-O 3.4Å; F135-A147 PolarHBondContact O-N 3.05Å; A147-M160 HydrophobicContact CB-CE 3.74Å; A147-F162 HydrophobicContact CB-CD1 3.63Å; A147-F162 HydrophobicContact CB-CE1 3.25Å; A147-F162 HydrophobicContact CB-CZ 3.87Å
148L98.8Very high97.3Very high4 Ų458.9 Ų58.92%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-111.2114.7-176.9-53.8176000110Y88 I125 Y132 F134 V146 M160 I161Y88-L148 HydrophobicContact CE2-CD2 4.4Å; I125-L148 HydrophobicContact CB-CD1 4.37Å; I125-L148 HydrophobicContact CD1-CD1 3.56Å; I125-L148 HydrophobicContact CG1-CD1 3.58Å; I125-L148 HydrophobicContact CG2-CD1 3.84Å; Y132-L148 HydrophobicContact CD1-CB 3.91Å; Y132-L148 HydrophobicContact CG-CB 4.2Å; F134-L148 HydrophobicContact CD1-CD2 3.39Å; F134-L148 HydrophobicContact CE1-CD2 3.42Å; F134-L148 VanDerWaalsContact CE1-CD2 3.42Å; F134-L148 HydrophobicContact CG-CD2 4.49Å; V146-L148 HydrophobicContact CG1-CD2 4.39Å; L148-M160 CarbonylContact O-C 3.5Å; L148-M160 VanDerWaalsContact O-CA 3.22Å; L148-M160 WeakPolarHBondContact O-CA 3.48Å; L148-I161 HydrophobicContact CB-CB 4.29Å; L148-I161 PolarHBondContact N-O 3.3Å; L148-I161 VanDerWaalsContact N-O 3.09Å; L148-I161 PolarHBondContact O-N 2.75Å
149L98.8Very high97.3Very high2 Ų255.1 Ų55.11%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-91.4133.7172.7172.368.3000110V70 Y132 Q133 F135 P158 M160V70-L149 HydrophobicContact CG1-CD1 4.45Å; V70-L149 HydrophobicContact CG2-CD1 3.98Å; V70-L149 HydrophobicContact CG2-CD2 3.79Å; Y132-L149 WeakPolarHBondContact CA-O 3.3Å; Q133-L149 HydrophobicContact CB-CB 4.15Å; Q133-L149 HydrophobicContact CB-CD2 4.31Å; Q133-L149 PolarHBondContact N-O 2.88Å; Q133-L149 PolarHBondContact O-N 2.81Å; F135-L149 HydrophobicContact CD2-CB 3.92Å; F135-L149 HydrophobicContact CE2-CB 3.72Å; F135-L149 HydrophobicContact CE2-CD2 3.58Å; F135-L149 HydrophobicContact CE2-CG 4.29Å; F135-L149 HydrophobicContact CZ-CD2 4.08Å; L149-P158 HydrophobicContact CD1-CB 3.72Å; L149-M160 HydrophobicContact CB-CE 4.28Å; L149-M160 HydrophobicContact CB-CG 4.13Å; L149-M160 HydrophobicContact CD1-CG 3.78Å
150D98.3Very high97.3Very high25 Ų2549.3 Ų49.313%0.13427%0.268CS..EExtended strand (participates in β ladder)trans-144.2173.5170-169.616.1000109.4Y132 Y159Y132-D150 HydrophobicContact CD1-CB 3.78Å; Y132-D150 HydrophobicContact CE1-CB 3.81Å; D150-Y159 HydrophobicContact CB-CE1 3.82Å; D150-Y159 HydrophobicContact CB-CE2 4.18Å; D150-Y159 PolarHBondContact N-O 2.79Å; D150-Y159 VanDerWaalsContact O-CD1 3.32Å; D150-Y159 WeakPolarHBondContact O-CD1 3.46Å; D150-Y159 PolarHBondContact O-N 3.36Å; D150-Y159 PolarHBondContact OD2-OH 2.76Å
151Y97.9Very high97.4Very high69 Ų6944.5 Ų44.527%0.27124%0.244SC..EExtended strand (participates in β ladder)trans-116.9145.9-178.8-65.3-95.8000110.8M35 T157 P158 Y159M35-Y151 HydrophobicContact SD-CE1 4.22Å; Y151-T157 WeakPolarHBondContact CA-O 3.44Å; Y151-P158 HydrophobicContact CD1-CB 4.19Å; Y151-P158 HydrophobicContact CE1-CB 3.91Å; Y151-Y159 VanDerWaalsContact C-CE1 3.46Å; Y151-Y159 WeakPolarHBondContact O-CE1 3.45Å
152R96.8Very high97.5Very high46 Ų4642.2 Ų42.217%0.17423%0.232CC..  trans-60.9171172.9-59.7-56.5-175.2-160.10.2110.8R21 E30 E32 D154 G155 T157 Y159R21-R152 VanDerWaalsContact NH2-NH1 3.18Å; E30-R152 VanDerWaalsContact CD-NH2 3.29Å; E30-R152 IonicContact OE1-CZ 2.73Å; E30-R152 IonicContact OE1-NH1 3.75Å; E30-R152 PolarHBondContact OE1-NH1 2.77Å; E30-R152 IonicContact OE1-NH2 3.6Å; E30-R152 PolarHBondContact OE1-NH2 3.1Å; E30-R152 IonicContact OE2-CZ 3.65Å; E30-R152 IonicContact OE2-NH1 2.84Å; E30-R152 PolarHBondContact OE2-NH1 3.48Å; E30-R152 IonicContact OE2-NH2 3.92Å; E32-R152 IonicContact OE2-NH2 2.89Å; R152-D154 PolarHBondContact O-N 2.93Å; R152-G155 WeakPolarHBondContact O-CA 3.43Å; R152-G155 PolarHBondContact O-N 2.86Å; R152-T157 HydrophobicContact CG-CG2 3.8Å; R152-T157 WeakPolarHBondContact CG-O 3.44Å; R152-T157 PolarHBondContact N-O 2.88Å; R152-Y159 HydrophobicContact CG-CD1 4.21Å; R152-Y159 VanDerWaalsContact CZ-CG 3.49Å; R152-Y159 VanDerWaalsContact NH1-CD1 3.31Å; R152-Y159 VanDerWaalsContact NH1-CG 3.3Å
153E95.1Very high97.6Very high212 Ų21238 Ų3899%0.99120%0.203SC*.THydrogen-bonded Turntrans-57.1-21.6175.3-62.6-179.2179.100113.4G155E153-G155 PolarHBondContact O-N 2.77Å
154D95.8Very high97.7Very high89 Ų8936.2 Ų36.248%0.47619%0.191SC..THydrogen-bonded Turntrans-70.3-12.2172.466.716.5000113.9R152 V156 T157R152-D154 PolarHBondContact O-N 2.93Å; D154-V156 HydrophobicContact CB-CG2 4.17Å; D154-V156 PolarHBondContact O-N 2.62Å; D154-V156 PolarHBondContact OD1-N 3.5Å; D154-T157 PolarHBondContact OD1-N 2.85Å; D154-T157 VanDerWaalsContact OD2-CB 3.32Å; D154-T157 WeakPolarHBondContact OD2-CB 3.25Å; D154-T157 PolarHBondContact OD2-OG1 3.27Å
155G93.9Very high97.7Very high51 Ų5136.1 Ų36.153%0.52619%0.189SC..SBendtrans71.14.2-18000000115.3R152 E153R152-G155 WeakPolarHBondContact O-CA 3.43Å; R152-G155 PolarHBondContact O-N 2.86Å; E153-G155 PolarHBondContact O-N 2.77Å
156V94.6Very high97.7Very high97 Ų9736.1 Ų36.159%0.58819%0.189SC*.SBendtrans-130.2-22.1-172.8-63.80000114D154 P158D154-V156 HydrophobicContact CB-CG2 4.17Å; D154-V156 PolarHBondContact O-N 2.62Å; D154-V156 PolarHBondContact OD1-N 3.5Å; V156-P158 WeakPolarHBondContact O-CD 3.19Å
157T97.8Very high97.7Very high38 Ų3836.6 Ų36.623%0.23319%0.192CC..  trans-89.1107.8178.8-60.20000109.5E32 Y151 R152 D154E32-T157 HydrophobicContact CG-CG2 4Å; Y151-T157 WeakPolarHBondContact CA-O 3.44Å; R152-T157 HydrophobicContact CG-CG2 3.8Å; R152-T157 WeakPolarHBondContact CG-O 3.44Å; R152-T157 PolarHBondContact N-O 2.88Å; D154-T157 PolarHBondContact OD1-N 2.85Å; D154-T157 VanDerWaalsContact OD2-CB 3.32Å; D154-T157 WeakPolarHBondContact OD2-CB 3.25Å; D154-T157 PolarHBondContact OD2-OG1 3.27Å
158P98.6Very high97.6Very high1 Ų139.7 Ų39.71%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-76.8147.2178.731.9-34.4000111.2G33 M35 V70 L149 Y151 V156G33-P158 PolarHBondContact N-O 2.99Å; M35-P158 HydrophobicContact SD-CG 4.46Å; V70-P158 HydrophobicContact CB-CB 4.47Å; V70-P158 HydrophobicContact CB-CG 4.48Å; V70-P158 HydrophobicContact CG1-CB 3.95Å; V70-P158 HydrophobicContact CG1-CG 3.87Å; V70-P158 HydrophobicContact CG2-CB 3.66Å; V70-P158 HydrophobicContact CG2-CG 3.97Å; L149-P158 HydrophobicContact CD1-CB 3.72Å; Y151-P158 HydrophobicContact CD1-CB 4.19Å; Y151-P158 HydrophobicContact CE1-CB 3.91Å; V156-P158 WeakPolarHBondContact O-CD 3.19Å
159Y98.7Very high97.5Very high28 Ų2846 Ų4611%0.1124%0.237CC..EExtended strand (participates in β ladder)trans-142.4144.7168.568.8-84.7000110.7E30 V31 D150 Y151 R152 I161E30-Y159 HydrophobicContact CG-CD2 3.49Å; E30-Y159 VanDerWaalsContact CG-CD2 3.49Å; E30-Y159 HydrophobicContact CG-CE2 4.2Å; E30-Y159 HydrophobicContact CG-CG 4.27Å; V31-Y159 CarbonylContact O-C 3.57Å; V31-Y159 VanDerWaalsContact O-CA 3.26Å; V31-Y159 WeakPolarHBondContact O-CA 3.32Å; D150-Y159 HydrophobicContact CB-CE1 3.82Å; D150-Y159 HydrophobicContact CB-CE2 4.18Å; D150-Y159 PolarHBondContact N-O 2.79Å; D150-Y159 VanDerWaalsContact O-CD1 3.32Å; D150-Y159 WeakPolarHBondContact O-CD1 3.46Å; D150-Y159 PolarHBondContact O-N 3.36Å; D150-Y159 PolarHBondContact OD2-OH 2.76Å; Y151-Y159 VanDerWaalsContact C-CE1 3.46Å; Y151-Y159 WeakPolarHBondContact O-CE1 3.45Å; R152-Y159 HydrophobicContact CG-CD1 4.21Å; R152-Y159 VanDerWaalsContact CZ-CG 3.49Å; R152-Y159 VanDerWaalsContact NH1-CD1 3.31Å; R152-Y159 VanDerWaalsContact NH1-CG 3.3Å; Y159-I161 HydrophobicContact CD2-CG1 4.16Å; Y159-I161 HydrophobicContact CE2-CD1 4Å; Y159-I161 HydrophobicContact CE2-CG1 3.99Å
160M98.8Very high97.3Very high0 Ų049.9 Ų49.90%026%0.255CS..EExtended strand (participates in β ladder)trans-113.4137.7179.2-63.9-171.582.700111.1E30 V31 I72 V73 L78 F135 A147 L148 L149 F162E30-M160 CarbonylContact C-O 3.59Å; E30-M160 WeakPolarHBondContact CA-O 3.01Å; V31-M160 PolarHBondContact N-O 3.16Å; V31-M160 PolarHBondContact O-N 2.89Å; I72-M160 HydrophobicContact CB-SD 3.98Å; I72-M160 HydrophobicContact CD1-CB 4.47Å; I72-M160 HydrophobicContact CD1-CG 4.22Å; I72-M160 HydrophobicContact CD1-SD 4.35Å; I72-M160 HydrophobicContact CG2-SD 3.74Å; V73-M160 HydrophobicContact CG2-CE 4.1Å; V73-M160 HydrophobicContact CG2-SD 3.86Å; L78-M160 HydrophobicContact CD1-CE 3.83Å; L78-M160 HydrophobicContact CD1-SD 4.1Å; F135-M160 HydrophobicContact CB-CE 3.77Å; F135-M160 HydrophobicContact CD2-CE 3.76Å; F135-M160 HydrophobicContact CG-CE 3.86Å; A147-M160 HydrophobicContact CB-CE 3.74Å; L148-M160 CarbonylContact O-C 3.5Å; L148-M160 VanDerWaalsContact O-CA 3.22Å; L148-M160 WeakPolarHBondContact O-CA 3.48Å; L149-M160 HydrophobicContact CB-CE 4.28Å; L149-M160 HydrophobicContact CB-CG 4.13Å; L149-M160 HydrophobicContact CD1-CG 3.78Å; M160-F162 HydrophobicContact CB-CD2 4.33Å; M160-F162 HydrophobicContact CB-CE2 3.4Å; M160-F162 HydrophobicContact CB-CZ 3.71Å; M160-F162 HydrophobicContact CE-CZ 4.38Å; M160-F162 HydrophobicContact SD-CZ 4.24Å
161I98.7Very high97.1Very high10 Ų1057 Ų575%0.05129%0.285CS..EExtended strand (participates in β ladder)trans-105.8131.2177.6-54.5170.1000109.4I23 C28 L29 E30 Y132 L148 Y159I23-I161 HydrophobicContact CD1-CD1 4.31Å; I23-I161 HydrophobicContact CD1-CG1 4.22Å; I23-I161 HydrophobicContact CD1-CG2 4.19Å; C28-I161 HydrophobicContact CB-CG2 3.82Å; L29-I161 WeakPolarHBondContact O-CA 3.05Å; E30-I161 HydrophobicContact CG-CG1 4.35Å; Y132-I161 HydrophobicContact CE1-CD1 4.17Å; L148-I161 HydrophobicContact CB-CB 4.29Å; L148-I161 PolarHBondContact N-O 3.3Å; L148-I161 VanDerWaalsContact N-O 3.09Å; L148-I161 PolarHBondContact O-N 2.75Å; Y159-I161 HydrophobicContact CD2-CG1 4.16Å; Y159-I161 HydrophobicContact CE2-CD1 4Å; Y159-I161 HydrophobicContact CE2-CG1 3.99Å
162F98.8Very high96.3Very high2 Ų259.3 Ų59.31%0.00931%0.31CS..EExtended strand (participates in β ladder)trans-127.9142.7177.9-55.7-97.7000110M13 F14 C28 L29 V31 M145 A147 M160 K164 L167M13-F162 HydrophobicContact CB-CD1 4.2Å; M13-F162 HydrophobicContact CB-CE1 3.85Å; M13-F162 HydrophobicContact CE-CD1 4.25Å; M13-F162 HydrophobicContact CE-CE1 3.79Å; F14-F162 HydrophobicContact CD1-CD1 4.07Å; F14-F162 AromaticContact CD1-CD2 3.88Å; F14-F162 HydrophobicContact CD1-CD2 3.88Å; F14-F162 AromaticContact CD1-CE1 3.84Å; F14-F162 HydrophobicContact CD1-CE1 3.84Å; F14-F162 AromaticContact CD1-CE2 3.64Å; F14-F162 HydrophobicContact CD1-CE2 3.64Å; F14-F162 HydrophobicContact CD1-CG 4.1Å; F14-F162 AromaticContact CD1-CZ 3.63Å; F14-F162 HydrophobicContact CD1-CZ 3.63Å; F14-F162 HydrophobicContact CE1-CB 4.18Å; F14-F162 AromaticContact CE1-CD1 3.95Å; F14-F162 HydrophobicContact CE1-CD1 3.95Å; F14-F162 AromaticContact CE1-CD2 3.61Å; F14-F162 HydrophobicContact CE1-CD2 3.61Å; F14-F162 HydrophobicContact CE1-CE1 4.21Å; F14-F162 AromaticContact CE1-CE2 3.88Å; F14-F162 HydrophobicContact CE1-CE2 3.88Å; F14-F162 AromaticContact CE1-CG 3.65Å; F14-F162 HydrophobicContact CE1-CG 3.65Å; F14-F162 HydrophobicContact CE1-CZ 4.18Å; F14-F162 HydrophobicContact CG-CE2 4.42Å; F14-F162 HydrophobicContact CG-CZ 4.49Å; F14-F162 HydrophobicContact CZ-CD2 4.43Å; C28-F162 CarbonylContact C-O 3.53Å; C28-F162 WeakPolarHBondContact CA-O 3.46Å; C28-F162 WeakPolarHBondContact CB-O 3.29Å; L29-F162 PolarHBondContact N-O 3.43Å; L29-F162 PolarHBondContact O-N 3.15Å; V31-F162 HydrophobicContact CB-CD2 4.49Å; V31-F162 HydrophobicContact CB-CE2 3.98Å; V31-F162 HydrophobicContact CG2-CD2 3.68Å; V31-F162 HydrophobicContact CG2-CE2 3.56Å; M145-F162 HydrophobicContact SD-CB 3.79Å; M145-F162 HydrophobicContact SD-CD1 3.69Å; M145-F162 HydrophobicContact SD-CG 4.23Å; A147-F162 HydrophobicContact CB-CD1 3.63Å; A147-F162 HydrophobicContact CB-CE1 3.25Å; A147-F162 HydrophobicContact CB-CZ 3.87Å; M160-F162 HydrophobicContact CB-CD2 4.33Å; M160-F162 HydrophobicContact CB-CE2 3.4Å; M160-F162 HydrophobicContact CB-CZ 3.71Å; M160-F162 HydrophobicContact CE-CZ 4.38Å; M160-F162 HydrophobicContact SD-CZ 4.24Å; F162-K164 PolarHBondContact O-N 2.9Å; F162-L167 HydrophobicContact CB-CD1 4Å
163F98.4Very high96.3Very high10 Ų1060 Ų604%0.04432%0.316CS..EExtended strand (participates in β ladder)trans-73.4116.3171-78.5-75.1000109.6L27 I92 Y95 F114 Q121 I122 I125 M145 D165 G166L27-F163 HydrophobicContact CD2-CD1 4.43Å; L27-F163 HydrophobicContact CD2-CE1 4.1Å; L27-F163 HydrophobicContact CG-CD1 4.25Å; L27-F163 HydrophobicContact CG-CE1 4.41Å; I92-F163 HydrophobicContact CD1-CE2 3.85Å; I92-F163 HydrophobicContact CD1-CZ 4.44Å; Y95-F163 HydrophobicContact CE1-CD2 4.22Å; F114-F163 HydrophobicContact CE2-CD1 4.26Å; Q121-F163 HydrophobicContact CB-CE1 4.22Å; Q121-F163 HydrophobicContact CG-CE1 3.88Å; Q121-F163 HydrophobicContact CG-CZ 4.03Å; I122-F163 HydrophobicContact CG1-CZ 4.39Å; I125-F163 HydrophobicContact CD1-CE2 4.34Å; I125-F163 HydrophobicContact CD1-CZ 4.02Å; M145-F163 HydrophobicContact CE-CB 4.33Å; M145-F163 VanDerWaalsContact CE-O 3.25Å; M145-F163 WeakPolarHBondContact CE-O 3.14Å; F163-D165 VanDerWaalsContact C-N 3.3Å; F163-D165 PolarHBondContact O-N 2.8Å; F163-G166 PolarHBondContact O-N 2.8Å
164K98.3Very high96.4Very high68 Ų6851.9 Ų51.930%0.29628%0.281SS..G310 helixtrans-59.9-40.3-172.6-175.4179.8175.3-179.40112.6E22 G26 L27 L29 F162 G166 L167E22-K164 IonicContact OE1-NZ 3.28Å; E22-K164 PolarHBondContact OE1-NZ 3.19Å; E22-K164 IonicContact OE2-NZ 2.75Å; E22-K164 PolarHBondContact OE2-NZ 2.88Å; G26-K164 WeakPolarHBondContact O-CD 3.32Å; L27-K164 VanDerWaalsContact O-CB 3.3Å; L27-K164 WeakPolarHBondContact O-CB 3.25Å; L27-K164 PolarHBondContact O-N 3Å; L29-K164 HydrophobicContact CD1-CG 4.25Å; L29-K164 HydrophobicContact CD2-CB 4.44Å; L29-K164 HydrophobicContact CD2-CD 3.97Å; L29-K164 HydrophobicContact CD2-CG 4.12Å; L29-K164 HydrophobicContact CG-CB 4.02Å; L29-K164 HydrophobicContact CG-CD 4.38Å; L29-K164 HydrophobicContact CG-CG 3.97Å; F162-K164 PolarHBondContact O-N 2.9Å; K164-G166 PolarHBondContact O-N 2.66Å; K164-L167 PolarHBondContact O-N 3.36Å
165D97.8Very high96.4Very high1 Ų149.9 Ų49.91%0.00527%0.27CS..G310 helixtrans-75.6-7.8-179.6-76.3-49.1000113.9L103 R107 R110 F114 F163L103-D165 HydrophobicContact CD1-CB 4.24Å; L103-D165 HydrophobicContact CD2-CB 4.26Å; R107-D165 IonicContact CZ-OD1 2.76Å; R107-D165 IonicContact NH1-OD1 3.38Å; R107-D165 PolarHBondContact NH1-OD1 2.85Å; R107-D165 PolarHBondContact NH2-O 2.89Å; R107-D165 IonicContact NH2-OD1 2.78Å; R107-D165 PolarHBondContact NH2-OD1 3.09Å; R110-D165 IonicContact CZ-OD1 2.75Å; R110-D165 IonicContact CZ-OD2 3.98Å; R110-D165 IonicContact NE-OD1 2.73Å; R110-D165 PolarHBondContact NE-OD1 2.87Å; R110-D165 IonicContact NE-OD2 3.55Å; R110-D165 PolarHBondContact NE-OD2 3.24Å; R110-D165 IonicContact NH2-OD1 2.96Å; R110-D165 IonicContact NH2-OD2 2.84Å; R110-D165 PolarHBondContact NH2-OD2 3.2Å; F114-D165 HydrophobicContact CD2-CB 3.71Å; F114-D165 HydrophobicContact CE2-CB 4.2Å; F114-D165 HydrophobicContact CG-CB 4.34Å; F163-D165 VanDerWaalsContact C-N 3.3Å; F163-D165 PolarHBondContact O-N 2.8Å
166G98.2Very high96.6Very high0 Ų049.8 Ų49.80%026%0.255CS..G310 helixtrans-959.6170.300000114L7 Y95 M145 F163 K164L7-G166 VanDerWaalsContact CB-O 3.29Å; L7-G166 WeakPolarHBondContact CB-O 3.43Å; L7-G166 PolarHBondContact N-O 3.47Å; Y95-G166 WeakPolarHBondContact OH-CA 3.21Å; M145-G166 VanDerWaalsContact CE-O 3.3Å; M145-G166 WeakPolarHBondContact CE-O 3.35Å; F163-G166 PolarHBondContact O-N 2.8Å; K164-G166 PolarHBondContact O-N 2.66Å
167L98.5Very high96.7Very high16 Ų1646.9 Ų46.98%0.08423%0.234CC..EExtended strand (participates in β ladder)trans-112.7142.9176.6-61.4167.5000111.3Y4 R5 M13 F14 L29 M145 F162 K164Y4-L167 HydrophobicContact CD1-CB 4.47Å; Y4-L167 HydrophobicContact CD1-CD1 4.12Å; R5-L167 CarbonylContact O-C 3.48Å; R5-L167 WeakPolarHBondContact O-CA 3.49Å; M13-L167 HydrophobicContact CB-CD2 4.29Å; M13-L167 HydrophobicContact CG-CD2 4.13Å; F14-L167 HydrophobicContact CE1-CD1 3.62Å; F14-L167 HydrophobicContact CE1-CD2 4.34Å; F14-L167 HydrophobicContact CZ-CD1 3.69Å; L29-L167 HydrophobicContact CD1-CD1 3.84Å; M145-L167 HydrophobicContact CE-CD2 3.71Å; M145-L167 HydrophobicContact CE-CG 3.87Å; M145-L167 HydrophobicContact SD-CD2 4.14Å; F162-L167 HydrophobicContact CB-CD1 4Å; K164-L167 PolarHBondContact O-N 3.36Å
168E96.8Very high96.6Very high64 Ų6447.5 Ų47.530%0.29923%0.234SC..EExtended strand (participates in β ladder)trans-106.1141.6162.663.4-174.1175.700110.2Y4 R5 L7 H10Y4-E168 WeakPolarHBondContact CA-O 3.5Å; R5-E168 HydrophobicContact CB-CG 3.71Å; R5-E168 PolarHBondContact N-O 2.94Å; R5-E168 PolarHBondContact O-N 3.25Å; L7-E168 HydrophobicContact CD1-CB 4.2Å; H10-E168 IonicContact CE1-OE1 3.05Å; H10-E168 IonicContact CG-OE1 2.62Å; H10-E168 IonicContact ND1-OE1 2.76Å; H10-E168 PolarHBondContact ND1-OE1 2.87Å
169M96.2Very high96.5Very high137 Ų13750.8 Ų50.868%0.67525%0.251SS*.EExtended strand (participates in β ladder)trans-100.9119.9179.2-68.9177.7-70.600109.4I2 Y4I2-M169 HydrophobicContact CG2-CB 4.1Å; I2-M169 HydrophobicContact CG2-CG 4.3Å; Y4-M169 HydrophobicContact CD1-CG 3.79Å; Y4-M169 HydrophobicContact CE1-CG 3.55Å; Y4-M169 HydrophobicContact CE1-SD 3.82Å
170E95.3Very high96.3Very high83 Ų8352.5 Ų52.539%0.38826%0.261SS..EExtended strand (participates in β ladder)trans-104.6128.6172-175.2-178.3-171.600109.4I2 I3 R5I2-E170 CarbonylContact C-O 3.51Å; I2-E170 WeakPolarHBondContact CA-O 3.35Å; I3-E170 HydrophobicContact CB-CB 4.43Å; I3-E170 PolarHBondContact N-O 3.14Å; I3-E170 PolarHBondContact O-N 3.49Å; R5-E170 IonicContact CZ-OE2 2.63Å; R5-E170 IonicContact NE-OE2 3.37Å; R5-E170 PolarHBondContact NE-OE2 2.89Å; R5-E170 IonicContact NH2-OE2 3.34Å; R5-E170 PolarHBondContact NH2-OE2 2.77Å
171K93.2Very high96.1Very high176 Ų17656.9 Ų56.977%0.76528%0.283SS*.EExtended strand (participates in β ladder)trans-93.5118.4172-72-175.4178.4-178.80109.3I2I2-K171 HydrophobicContact CG1-CG 4.28Å
172C83Confident95.8Very high116 Ų11661.2 Ų61.278%0.78430%0.304SS*.  trans-96.90169.8-51.20000111.1M1M1-C172 HydrophobicContact CB-CB 4.46Å; M1-C172 HydrophobicContact CE-CB 4.28Å; M1-C172 PolarHBondContact N-O 3.49Å; M1-C172 PolarHBondContact O-N 2.86Å

Retrieved 172 of 172 residues in 86.4 ms (Link to these results)

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