A0A087XQF1_POEFO Loading...

Phosphatase, orphan 2

AlphaFold DB , UniProt , Accession A0A087XQF1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 244 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
1M87.6Confident97.4Very high152 Ų15224.7 Ų24.775%0.74912%0.118SC*.  0178.60-78.3171.9-76.900106.5E244M1-E244 PolarHBondContact N-OE2 3.02Å; M1-E244 VanDerWaalsContact O-OE2 3.07Å
2K95.9Very high97.5Very high55 Ų5522.7 Ų22.724%0.23911%0.109CC..EExtended strand (participates in β ladder)trans-78.7152.4171.7-74.4-169.8-174.8168.30111.1M91 D93 E169 Y171 G172K2-M91 VanDerWaalsContact CA-O 3.31Å; K2-M91 WeakPolarHBondContact CA-O 3.36Å; K2-D93 WeakPolarHBondContact CD-OD1 3.35Å; K2-D93 IonicContact NZ-OD1 3.38Å; K2-D93 PolarHBondContact NZ-OD1 3.39Å; K2-D93 IonicContact NZ-OD2 2.81Å; K2-D93 PolarHBondContact NZ-OD2 2.98Å; K2-E169 WeakPolarHBondContact CD-OE1 3.48Å; K2-E169 IonicContact NZ-OE1 3.4Å; K2-E169 PolarHBondContact NZ-OE1 3.18Å; K2-Y171 HydrophobicContact CB-CD1 3.85Å; K2-Y171 HydrophobicContact CB-CE1 4.01Å; K2-Y171 CarbonylContact O-C 3.24Å; K2-Y171 WeakPolarHBondContact O-CA 3.48Å; K2-G172 PolarHBondContact O-N 3.08Å
3I98.3Very high97.6Very high0 Ų021 Ų210%010%0.101CC..EExtended strand (participates in β ladder)trans-92.2138.8164.9-62.2180000108.6M5 M91 V92 D93 R173 F175 L237 L241I3-M5 HydrophobicContact CG2-SD 4.46Å; I3-M91 PolarHBondContact N-O 2.76Å; I3-V92 WeakPolarHBondContact O-CA 3.46Å; I3-D93 PolarHBondContact O-N 3.39Å; I3-R173 WeakPolarHBondContact CA-O 3.37Å; I3-R173 HydrophobicContact CG1-CB 4.41Å; I3-F175 HydrophobicContact CD1-CE2 4.43Å; I3-F175 HydrophobicContact CG2-CD2 3.49Å; I3-F175 VanDerWaalsContact CG2-CD2 3.49Å; I3-F175 HydrophobicContact CG2-CE2 3.65Å; I3-L237 HydrophobicContact CB-CD1 4.45Å; I3-L237 HydrophobicContact CD1-CD1 3.99Å; I3-L237 HydrophobicContact CG2-CD1 3.93Å; I3-L241 HydrophobicContact CD1-CD2 3.66Å; I3-L241 HydrophobicContact CD1-CG 3.93Å; I3-L241 HydrophobicContact CG1-CD2 4.3Å
4L98.8Very high97.7Very high0 Ų019.5 Ų19.50%09%0.093CC..EExtended strand (participates in β ladder)trans-104.5121.2169.5178.365.4000110.3V6 D93 I95 L157 Y160 L161 Y171 R173 V174 F175L4-V6 HydrophobicContact CD2-CG2 3.81Å; L4-V6 HydrophobicContact CG-CG2 3.81Å; L4-D93 HydrophobicContact CD1-CB 4.04Å; L4-I95 HydrophobicContact CD1-CG1 4.24Å; L4-I95 HydrophobicContact CD1-CG2 4.33Å; L4-L157 HydrophobicContact CD2-CD1 4.29Å; L4-Y160 HydrophobicContact CD1-CE1 3.74Å; L4-Y160 HydrophobicContact CD2-CD1 3.87Å; L4-Y160 HydrophobicContact CD2-CE1 3.6Å; L4-Y160 HydrophobicContact CG-CE1 4.33Å; L4-L161 HydrophobicContact CD2-CD2 3.79Å; L4-Y171 HydrophobicContact CB-CD1 3.7Å; L4-Y171 HydrophobicContact CB-CD2 3.95Å; L4-Y171 HydrophobicContact CB-CE1 3.96Å; L4-Y171 HydrophobicContact CB-CE2 4.18Å; L4-Y171 HydrophobicContact CB-CG 3.7Å; L4-Y171 HydrophobicContact CD1-CE1 4.39Å; L4-Y171 HydrophobicContact CD1-CE2 4.34Å; L4-Y171 HydrophobicContact CD2-CD2 4.03Å; L4-Y171 HydrophobicContact CD2-CE2 3.96Å; L4-Y171 HydrophobicContact CG-CE2 4.39Å; L4-R173 PolarHBondContact N-O 2.92Å; L4-V174 HydrophobicContact CB-CG1 4.47Å; L4-V174 HydrophobicContact CB-CG2 4.3Å; L4-V174 HydrophobicContact CD2-CG1 4.16Å; L4-V174 HydrophobicContact CD2-CG2 4.35Å; L4-V174 HydrophobicContact CG-CG1 4.47Å; L4-V174 WeakPolarHBondContact O-CA 3.4Å; L4-F175 PolarHBondContact O-N 3.3Å
5M98.9Very high97.7Very high0 Ų021.4 Ų21.40%010%0.104CC..EExtended strand (participates in β ladder)trans-91.8129.8166-62.6-61.2-61.100110I3 F7 I85 V92 D93 C94 I95 F175 V177 I233 L237I3-M5 HydrophobicContact CG2-SD 4.46Å; M5-F7 HydrophobicContact CB-CD2 4.26Å; M5-F7 HydrophobicContact CB-CE2 3.66Å; M5-F7 HydrophobicContact CB-CZ 4.32Å; M5-F7 HydrophobicContact CE-CE1 4.14Å; M5-F7 HydrophobicContact CE-CE2 4.03Å; M5-F7 HydrophobicContact CE-CZ 3.49Å; M5-F7 VanDerWaalsContact CE-CZ 3.49Å; M5-F7 HydrophobicContact CG-CE2 4.38Å; M5-I85 HydrophobicContact CB-CD1 4.43Å; M5-I85 HydrophobicContact CG-CD1 4.06Å; M5-V92 HydrophobicContact CG-CG1 3.79Å; M5-D93 PolarHBondContact N-O 2.89Å; M5-C94 HydrophobicContact CB-CB 4.16Å; M5-C94 CarbonylContact O-C 3.51Å; M5-C94 VanDerWaalsContact O-CA 3.29Å; M5-C94 WeakPolarHBondContact O-CA 3.41Å; M5-I95 PolarHBondContact O-N 3.01Å; M5-F175 HydrophobicContact CE-CB 3.86Å; M5-F175 HydrophobicContact CE-CG 4.39Å; M5-F175 HydrophobicContact SD-CB 3.5Å; M5-F175 VanDerWaalsContact SD-CB 3.5Å; M5-F175 HydrophobicContact SD-CD1 4.49Å; M5-F175 HydrophobicContact SD-CD2 4Å; M5-F175 HydrophobicContact SD-CG 3.76Å; M5-V177 HydrophobicContact CE-CG2 3.94Å; M5-I233 HydrophobicContact CE-CG2 3.63Å; M5-L237 HydrophobicContact CG-CD2 4.36Å; M5-L237 HydrophobicContact SD-CD1 3.94Å; M5-L237 HydrophobicContact SD-CD2 4.21Å; M5-L237 HydrophobicContact SD-CG 4.5Å
6V98.9Very high97.7Very high0 Ų025.1 Ų25.10%012%0.121CC..EExtended strand (participates in β ladder)trans-123.6116.1176.9-172.90000107.5L4 I95 V97 L157 V174 F175 Y176 V177L4-V6 HydrophobicContact CD2-CG2 3.81Å; L4-V6 HydrophobicContact CG-CG2 3.81Å; V6-I95 WeakPolarHBondContact CA-O 3.15Å; V6-I95 HydrophobicContact CB-CG1 4.24Å; V6-I95 HydrophobicContact CG1-CD1 4.2Å; V6-I95 HydrophobicContact CG1-CG1 4.05Å; V6-I95 HydrophobicContact CG2-CD1 4.06Å; V6-I95 HydrophobicContact CG2-CG1 3.93Å; V6-V97 HydrophobicContact CG1-CB 4.23Å; V6-V97 HydrophobicContact CG1-CG2 3.75Å; V6-L157 HydrophobicContact CG2-CD1 3.85Å; V6-V174 HydrophobicContact CG2-CG1 3.91Å; V6-F175 PolarHBondContact N-O 3.26Å; V6-Y176 HydrophobicContact CB-CD2 3.93Å; V6-Y176 HydrophobicContact CB-CE2 4.48Å; V6-Y176 HydrophobicContact CG1-CD2 3.61Å; V6-Y176 HydrophobicContact CG1-CE2 3.69Å; V6-V177 PolarHBondContact O-N 3.17Å
7F98.9Very high97.7Very high0 Ų025.9 Ų25.90%013%0.126CC..EExtended strand (participates in β ladder)trans-111.3135.9-178.7-69.5-80.5000111.7M5 T12 V13 M78 L81 L82 I85 I95 I96 V97 V177 I233M5-F7 HydrophobicContact CB-CD2 4.26Å; M5-F7 HydrophobicContact CB-CE2 3.66Å; M5-F7 HydrophobicContact CB-CZ 4.32Å; M5-F7 HydrophobicContact CE-CE1 4.14Å; M5-F7 HydrophobicContact CE-CE2 4.03Å; M5-F7 HydrophobicContact CE-CZ 3.49Å; M5-F7 VanDerWaalsContact CE-CZ 3.49Å; M5-F7 HydrophobicContact CG-CE2 4.38Å; F7-T12 HydrophobicContact CD1-CG2 4.21Å; F7-V13 HydrophobicContact CB-CG2 3.86Å; F7-V13 HydrophobicContact CD1-CG2 4.3Å; F7-V13 HydrophobicContact CG-CG2 4.14Å; F7-M78 HydrophobicContact CD1-CE 4.41Å; F7-M78 HydrophobicContact CE1-CE 4.15Å; F7-M78 HydrophobicContact CE1-SD 4.41Å; F7-L81 HydrophobicContact CE1-CD2 4.03Å; F7-L81 HydrophobicContact CZ-CD2 3.79Å; F7-L81 HydrophobicContact CZ-CG 4.36Å; F7-L82 HydrophobicContact CE2-CD2 4.44Å; F7-I85 HydrophobicContact CE2-CD1 3.9Å; F7-I85 HydrophobicContact CZ-CD1 4.19Å; F7-I95 PolarHBondContact N-O 3.04Å; F7-I96 HydrophobicContact CB-CG1 4.41Å; F7-I96 CarbonylContact O-C 3.56Å; F7-I96 WeakPolarHBondContact O-CA 3.41Å; F7-V97 PolarHBondContact O-N 3.08Å; F7-V177 HydrophobicContact CD1-CB 3.59Å; F7-V177 HydrophobicContact CD1-CG1 3.92Å; F7-V177 HydrophobicContact CD1-CG2 3.92Å; F7-V177 HydrophobicContact CE1-CB 3.83Å; F7-V177 HydrophobicContact CE1-CG1 4.01Å; F7-V177 HydrophobicContact CE1-CG2 3.68Å; F7-V177 HydrophobicContact CZ-CG2 4.41Å; F7-I233 HydrophobicContact CE1-CD1 4.39Å; F7-I233 HydrophobicContact CE1-CG2 4.44Å
8D98.7Very high97.7Very high4 Ų424.4 Ų24.42%0.02112%0.119CC..  trans-67.5165.8146.9-165.517.4000110.4T12 V13 S98 K153 V177D8-T12 HydrophobicContact CB-CG2 4.27Å; D8-T12 VanDerWaalsContact O-CB 3.32Å; D8-T12 WeakPolarHBondContact O-CB 3.47Å; D8-T12 WeakPolarHBondContact O-CG2 3.47Å; D8-V13 WeakPolarHBondContact O-CG2 3.47Å; D8-S98 WeakPolarHBondContact OD1-CA 3.22Å; D8-S98 VanDerWaalsContact OD1-CB 3.32Å; D8-S98 WeakPolarHBondContact OD1-CB 3.06Å; D8-S98 PolarHBondContact OD1-OG 2.71Å; D8-K153 IonicContact OD1-NZ 3.17Å; D8-K153 PolarHBondContact OD1-NZ 3.5Å; D8-K153 IonicContact OD2-NZ 2.76Å; D8-K153 PolarHBondContact OD2-NZ 3.05Å; D8-V177 PolarHBondContact N-O 3.3Å
9F98.6Very high97.5Very high0 Ų023.6 Ų23.60%012%0.115CC..  trans-103.8-65.8-177.7-165.1-110.3000112.5T12 V13 V14 I96 S98 A100 I105 V108 L109F9-T12 CarbonylContact O-C 3.57Å; F9-T12 PolarHBondContact O-N 3.3Å; F9-T12 VanDerWaalsContact O-N 3.12Å; F9-V13 HydrophobicContact CD2-CB 3.71Å; F9-V13 HydrophobicContact CD2-CG1 3.91Å; F9-V13 HydrophobicContact CD2-CG2 4.22Å; F9-V13 HydrophobicContact CE2-CB 4.01Å; F9-V13 HydrophobicContact CE2-CG1 3.69Å; F9-V13 PolarHBondContact O-N 3.06Å; F9-V14 HydrophobicContact CD1-CG2 3.93Å; F9-V14 HydrophobicContact CE1-CG1 3.9Å; F9-V14 HydrophobicContact CE1-CG2 3.86Å; F9-V14 HydrophobicContact CE2-CG1 4.22Å; F9-V14 HydrophobicContact CZ-CG1 3.65Å; F9-V14 HydrophobicContact CZ-CG2 4.38Å; F9-V14 WeakPolarHBondContact O-CG2 3.4Å; F9-V14 PolarHBondContact O-N 2.9Å; F9-V14 VanDerWaalsContact O-N 3.1Å; F9-I96 HydrophobicContact CB-CG2 4.27Å; F9-I96 HydrophobicContact CD2-CD1 4.16Å; F9-S98 VanDerWaalsContact CB-OG 3.25Å; F9-S98 WeakPolarHBondContact CB-OG 3.16Å; F9-S98 PolarHBondContact N-OG 2.8Å; F9-A100 HydrophobicContact CD1-CB 4.32Å; F9-I105 HydrophobicContact CB-CD1 4.48Å; F9-I105 HydrophobicContact CB-CG1 4.34Å; F9-I105 HydrophobicContact CD1-CG1 3.78Å; F9-I105 HydrophobicContact CD2-CG1 4.04Å; F9-I105 HydrophobicContact CD2-CG2 4.2Å; F9-I105 HydrophobicContact CE1-CG1 4.01Å; F9-I105 HydrophobicContact CE2-CB 4.43Å; F9-I105 HydrophobicContact CE2-CG1 4.27Å; F9-I105 HydrophobicContact CE2-CG2 4.08Å; F9-I105 HydrophobicContact CG-CD1 4.43Å; F9-I105 HydrophobicContact CG-CG1 3.78Å; F9-I105 HydrophobicContact CZ-CB 4.44Å; F9-I105 HydrophobicContact CZ-CG1 4.25Å; F9-V108 HydrophobicContact CE1-CG2 4.49Å; F9-V108 HydrophobicContact CZ-CB 3.87Å; F9-V108 HydrophobicContact CZ-CG1 3.83Å; F9-V108 HydrophobicContact CZ-CG2 4.2Å; F9-L109 HydrophobicContact CE2-CG 4.39Å
10D98.3Very high97.4Very high15 Ų1526.5 Ų26.58%0.0813%0.131CC..THydrogen-bonded Turntrans-63.5136.7-177.9-68.7-44.2000111.6T12 C18D10-T12 PolarHBondContact O-N 3.22Å; D10-T12 PolarHBondContact O-OG1 3.4Å; D10-C18 VanDerWaalsContact OD1-CB 3.31Å; D10-C18 WeakPolarHBondContact OD1-CB 3.47Å; D10-C18 PolarHBondContact OD1-N 3.49Å; D10-C18 PolarHBondContact OD1-SG 2.97Å; D10-C18 PolarHBondContact OD2-SG 2.91Å
11H98.4Very high97.4Very high46 Ų4626.6 Ų26.621%0.21313%0.13CC..THydrogen-bonded Turntrans49.117-172.6-59.4-59.4000115.4V14 D15 E16 D179 R199 Y202H11-V14 CarbonylContact C-O 3.41Å; H11-V14 VanDerWaalsContact C-O 3.24Å; H11-V14 WeakPolarHBondContact CA-O 3.45Å; H11-V14 PolarHBondContact N-O 3.45Å; H11-D15 PolarHBondContact ND1-O 3.39Å; H11-E16 PolarHBondContact N-O 2.69Å; H11-E16 VanDerWaalsContact N-O 3.11Å; H11-D179 HydrophobicContact CB-CB 4.31Å; H11-R199 WeakPolarHBondContact O-CD 3.47Å; H11-R199 PolarHBondContact O-NH1 3.41Å; H11-Y202 HydrophobicContact CB-CD1 4.45Å; H11-Y202 HydrophobicContact CB-CE1 3.8Å; H11-Y202 AromaticContact CG-CE1 3.93Å
12T98.8Very high97.9Very high0 Ų019.4 Ų19.40%09%0.094CC..THydrogen-bonded Turntrans-126.3-71.4-179.8-65.40000110.2F7 D8 F9 D10 V14 T75 M78 V177 G178 D179 W227F7-T12 HydrophobicContact CD1-CG2 4.21Å; D8-T12 HydrophobicContact CB-CG2 4.27Å; D8-T12 VanDerWaalsContact O-CB 3.32Å; D8-T12 WeakPolarHBondContact O-CB 3.47Å; D8-T12 WeakPolarHBondContact O-CG2 3.47Å; F9-T12 CarbonylContact O-C 3.57Å; F9-T12 PolarHBondContact O-N 3.3Å; F9-T12 VanDerWaalsContact O-N 3.12Å; D10-T12 PolarHBondContact O-N 3.22Å; D10-T12 PolarHBondContact O-OG1 3.4Å; T12-V14 PolarHBondContact N-O 2.93Å; T12-T75 VanDerWaalsContact O-CB 3.22Å; T12-T75 WeakPolarHBondContact O-CB 3.44Å; T12-T75 PolarHBondContact O-OG1 3.02Å; T12-M78 WeakPolarHBondContact O-CE 3.3Å; T12-V177 HydrophobicContact CG2-CB 4.44Å; T12-V177 HydrophobicContact CG2-CG1 3.86Å; T12-G178 WeakPolarHBondContact OG1-CA 3.29Å; T12-D179 PolarHBondContact OG1-N 3.37Å; T12-W227 HydrophobicContact CG2-CZ2 4.14Å
13V98.8Very high98Very high1 Ų117.9 Ų17.91%0.0069%0.088CC..THydrogen-bonded Turntrans-75.8-48.7171.7171.50000110.3F7 D8 F9 F74 T75 M78 L82 L109F7-V13 HydrophobicContact CB-CG2 3.86Å; F7-V13 HydrophobicContact CD1-CG2 4.3Å; F7-V13 HydrophobicContact CG-CG2 4.14Å; D8-V13 WeakPolarHBondContact O-CG2 3.47Å; F9-V13 HydrophobicContact CD2-CB 3.71Å; F9-V13 HydrophobicContact CD2-CG1 3.91Å; F9-V13 HydrophobicContact CD2-CG2 4.22Å; F9-V13 HydrophobicContact CE2-CB 4.01Å; F9-V13 HydrophobicContact CE2-CG1 3.69Å; F9-V13 PolarHBondContact O-N 3.06Å; V13-F74 HydrophobicContact CG1-CD1 4.09Å; V13-F74 HydrophobicContact CG1-CE1 3.99Å; V13-T75 PolarHBondContact O-N 3.4Å; V13-M78 HydrophobicContact CB-CG 4.43Å; V13-M78 HydrophobicContact CG1-CG 4.03Å; V13-M78 HydrophobicContact CG2-CE 4.36Å; V13-M78 HydrophobicContact CG2-SD 4.38Å; V13-M78 WeakPolarHBondContact O-CG 3.27Å; V13-L82 HydrophobicContact CG1-CD1 4.2Å; V13-L109 HydrophobicContact CG1-CD2 4.37Å
14V98.7Very high97.9Very high0 Ų021.8 Ų21.80%011%0.105CC..BIsolated β-bridgetrans-96.1151170.8-65.40000109.7F9 H11 T12 E16 I72 P73 T75 V108F9-V14 HydrophobicContact CD1-CG2 3.93Å; F9-V14 HydrophobicContact CE1-CG1 3.9Å; F9-V14 HydrophobicContact CE1-CG2 3.86Å; F9-V14 HydrophobicContact CE2-CG1 4.22Å; F9-V14 HydrophobicContact CZ-CG1 3.65Å; F9-V14 HydrophobicContact CZ-CG2 4.38Å; F9-V14 WeakPolarHBondContact O-CG2 3.4Å; F9-V14 PolarHBondContact O-N 2.9Å; F9-V14 VanDerWaalsContact O-N 3.1Å; H11-V14 CarbonylContact C-O 3.41Å; H11-V14 VanDerWaalsContact C-O 3.24Å; H11-V14 WeakPolarHBondContact CA-O 3.45Å; H11-V14 PolarHBondContact N-O 3.45Å; T12-V14 PolarHBondContact N-O 2.93Å; V14-E16 WeakPolarHBondContact CG2-O 3.33Å; V14-E16 PolarHBondContact O-N 2.73Å; V14-I72 HydrophobicContact CB-CD1 3.98Å; V14-I72 HydrophobicContact CB-CG1 4.2Å; V14-I72 HydrophobicContact CB-CG2 4.36Å; V14-I72 HydrophobicContact CG1-CD1 4.25Å; V14-I72 HydrophobicContact CG1-CG1 4.4Å; V14-I72 HydrophobicContact CG1-CG2 3.66Å; V14-I72 HydrophobicContact CG2-CD1 3.94Å; V14-P73 WeakPolarHBondContact CA-O 3.39Å; V14-T75 PolarHBondContact O-OG1 3.45Å; V14-V108 HydrophobicContact CG1-CG1 3.83Å
15D98.1Very high97.8Very high48 Ų4822.1 Ų22.126%0.25711%0.107SC..SBendtrans-82.9-3.7-177-153.714.1000113.1H11 P73 R199H11-D15 PolarHBondContact ND1-O 3.39Å; D15-P73 HydrophobicContact CB-CG 4.41Å; D15-P73 PolarHBondContact N-O 3.13Å; D15-R199 IonicContact OD1-CZ 3.46Å; D15-R199 IonicContact OD1-NH1 3.99Å; D15-R199 PolarHBondContact OD1-NH1 2.79Å; D15-R199 IonicContact OD1-NH2 3.23Å; D15-R199 PolarHBondContact OD1-NH2 2.86Å
16E98.1Very high97.7Very high80 Ų8022.4 Ų22.437%0.37411%0.109SC..SBendtrans-124.2173.3-173.7-71-72.3-178.200111.2H11 V14 W21 I72 P73H11-E16 PolarHBondContact N-O 2.69Å; H11-E16 VanDerWaalsContact N-O 3.11Å; V14-E16 WeakPolarHBondContact CG2-O 3.33Å; V14-E16 PolarHBondContact O-N 2.73Å; E16-W21 HydrophobicContact CB-CE3 3.99Å; E16-W21 HydrophobicContact CB-CZ3 4.43Å; E16-W21 HydrophobicContact CG-CE3 3.81Å; E16-W21 HydrophobicContact CG-CZ3 3.75Å; E16-I72 HydrophobicContact CB-CD1 4.02Å; E16-I72 HydrophobicContact CB-CG1 3.95Å; E16-P73 HydrophobicContact CG-CG 3.74Å
17N97.5Very high97.4Very high39 Ų3927.5 Ų27.521%0.20914%0.142CC..  trans-92.6116.6169.5178.5-48.1000109.4D19 I20 W21N17-D19 VanDerWaalsContact C-N 3.33Å; N17-D19 PolarHBondContact O-N 3.24Å; N17-D19 WeakPolarHBondContact OD1-CA 3.45Å; N17-D19 VanDerWaalsContact OD1-CB 3.31Å; N17-D19 WeakPolarHBondContact OD1-CB 3.15Å; N17-D19 PolarHBondContact OD1-N 3.26Å; N17-I20 HydrophobicContact CB-CB 4.35Å; N17-I20 HydrophobicContact CB-CG1 4.3Å; N17-I20 PolarHBondContact O-N 2.96Å; N17-I20 PolarHBondContact OD1-N 3.41Å; N17-I20 VanDerWaalsContact OD1-N 3.12Å; N17-W21 WeakPolarHBondContact O-CB 3.4Å; N17-W21 PolarHBondContact O-N 3.46Å
18C97Very high97.1Very high0 Ų036 Ų360%018%0.179CC..Hα-helixtrans-65-34.6-175.870.10000113.3D10 I20 W21 V22 M69 I72 A100 F104D10-C18 VanDerWaalsContact OD1-CB 3.31Å; D10-C18 WeakPolarHBondContact OD1-CB 3.47Å; D10-C18 PolarHBondContact OD1-N 3.49Å; D10-C18 PolarHBondContact OD1-SG 2.97Å; D10-C18 PolarHBondContact OD2-SG 2.91Å; C18-I20 PolarHBondContact O-N 2.91Å; C18-W21 PolarHBondContact O-N 3.14Å; C18-V22 PolarHBondContact O-N 3.34Å; C18-V22 VanDerWaalsContact O-N 3.08Å; C18-M69 HydrophobicContact CB-CE 3.59Å; C18-I72 HydrophobicContact CB-CD1 4.08Å; C18-A100 WeakPolarHBondContact SG-CB 3.49Å; C18-F104 HydrophobicContact CB-CD2 4.05Å
19D94.1Very high97Very high8 Ų841.6 Ų41.64%0.04321%0.205CC..Hα-helixtrans-66.1-26.6177.3-74.3-19.1000111.9N17 V22 W44 M48N17-D19 VanDerWaalsContact C-N 3.33Å; N17-D19 PolarHBondContact O-N 3.24Å; N17-D19 WeakPolarHBondContact OD1-CA 3.45Å; N17-D19 VanDerWaalsContact OD1-CB 3.31Å; N17-D19 WeakPolarHBondContact OD1-CB 3.15Å; N17-D19 PolarHBondContact OD1-N 3.26Å; D19-V22 VanDerWaalsContact O-CG1 3.25Å; D19-V22 WeakPolarHBondContact O-CG1 3.38Å; D19-W44 HydrophobicContact CB-CZ2 4.02Å; D19-W44 PolarHBondContact OD2-NE1 2.76Å; D19-M48 HydrophobicContact CB-CE 3.76Å; D19-M48 HydrophobicContact CB-CG 4Å; D19-M48 HydrophobicContact CB-SD 3.88Å; D19-M48 WeakPolarHBondContact O-CE 3.46Å
20I95.3Very high96.8Very high82 Ų8245.6 Ų45.642%0.42123%0.23SC..Hα-helixtrans-88.7-38.9171.7-60.7-55.3000111.3N17 C18 V22 I23 W44N17-I20 HydrophobicContact CB-CB 4.35Å; N17-I20 HydrophobicContact CB-CG1 4.3Å; N17-I20 PolarHBondContact O-N 2.96Å; N17-I20 PolarHBondContact OD1-N 3.41Å; N17-I20 VanDerWaalsContact OD1-N 3.12Å; C18-I20 PolarHBondContact O-N 2.91Å; I20-V22 PolarHBondContact O-N 2.69Å; I20-I23 HydrophobicContact CD1-CD1 4.32Å; I20-I23 HydrophobicContact CG2-CD1 4.45Å; I20-I23 VanDerWaalsContact O-CB 3.29Å; I20-I23 WeakPolarHBondContact O-CB 3.36Å; I20-I23 WeakPolarHBondContact O-CG1 3.49Å; I20-I23 PolarHBondContact O-N 3.08Å; I20-I23 VanDerWaalsContact O-N 3.1Å; I20-W44 HydrophobicContact CD1-CH2 3.83Å; I20-W44 HydrophobicContact CD1-CZ2 4.14Å
21W98.3Very high96.7Very high29 Ų2945.8 Ų45.811%0.1123%0.23CC..Hα-helixtrans-58.3-36.9-178.3-169.5-96.5000112.4E16 N17 C18 I23 K24 V68 T71 I72 P73E16-W21 HydrophobicContact CB-CE3 3.99Å; E16-W21 HydrophobicContact CB-CZ3 4.43Å; E16-W21 HydrophobicContact CG-CE3 3.81Å; E16-W21 HydrophobicContact CG-CZ3 3.75Å; N17-W21 WeakPolarHBondContact O-CB 3.4Å; N17-W21 PolarHBondContact O-N 3.46Å; C18-W21 PolarHBondContact O-N 3.14Å; W21-I23 PolarHBondContact O-N 3.15Å; W21-I23 VanDerWaalsContact O-N 3.07Å; W21-K24 HydrophobicContact CD2-CD 4.05Å; W21-K24 HydrophobicContact CE3-CD 4.23Å; W21-K24 HydrophobicContact CH2-CD 4.39Å; W21-K24 HydrophobicContact CZ2-CD 4.16Å; W21-K24 HydrophobicContact CZ3-CD 4.41Å; W21-K24 WeakPolarHBondContact O-CB 3.08Å; W21-K24 WeakPolarHBondContact O-CG 3.46Å; W21-K24 PolarHBondContact O-N 3.01Å; W21-K24 VanDerWaalsContact O-N 3.08Å; W21-V68 PolarHBondContact NE1-O 2.94Å; W21-V68 VanDerWaalsContact NE1-O 3.08Å; W21-T71 WeakPolarHBondContact CZ2-O 3.43Å; W21-I72 HydrophobicContact CB-CD1 3.96Å; W21-I72 HydrophobicContact CB-CG1 4.41Å; W21-I72 HydrophobicContact CD2-CB 4.25Å; W21-I72 HydrophobicContact CD2-CD1 4.4Å; W21-I72 HydrophobicContact CD2-CG1 3.88Å; W21-I72 HydrophobicContact CE3-CG1 4.32Å; W21-I72 HydrophobicContact CG-CB 4.19Å; W21-I72 HydrophobicContact CG-CD1 3.96Å; W21-I72 HydrophobicContact CG-CG1 3.9Å; W21-P73 HydrophobicContact CH2-CG 4.38Å; W21-P73 HydrophobicContact CZ3-CG 4.47Å
22V97.4Very high96.6Very high0 Ų045.4 Ų45.40%023%0.232CC..G310 helixtrans-53.3-30.917877.20000112.8C18 D19 I20 K24 C25 M48 M52 I55 V65 M69 F104C18-V22 PolarHBondContact O-N 3.34Å; C18-V22 VanDerWaalsContact O-N 3.08Å; D19-V22 VanDerWaalsContact O-CG1 3.25Å; D19-V22 WeakPolarHBondContact O-CG1 3.38Å; I20-V22 PolarHBondContact O-N 2.69Å; V22-K24 PolarHBondContact O-N 2.95Å; V22-C25 WeakPolarHBondContact O-CB 3.49Å; V22-C25 PolarHBondContact O-N 3.36Å; V22-C25 PolarHBondContact O-SG 3.45Å; V22-M48 HydrophobicContact CG1-CE 4.3Å; V22-M52 HydrophobicContact CG1-CE 4.1Å; V22-M52 HydrophobicContact CG2-CE 4.39Å; V22-M52 HydrophobicContact CG2-SD 4.34Å; V22-I55 HydrophobicContact CG1-CD1 4.07Å; V22-I55 HydrophobicContact CG2-CD1 3.99Å; V22-V65 HydrophobicContact CG2-CG1 3.56Å; V22-M69 HydrophobicContact CB-SD 4.24Å; V22-M69 HydrophobicContact CG2-SD 4.49Å; V22-F104 HydrophobicContact CB-CE2 3.99Å; V22-F104 HydrophobicContact CB-CZ 3.92Å; V22-F104 HydrophobicContact CG2-CE1 4.27Å; V22-F104 HydrophobicContact CG2-CE2 4.09Å; V22-F104 HydrophobicContact CG2-CZ 3.48Å; V22-F104 VanDerWaalsContact CG2-CZ 3.48Å
23I97.4Very high96.5Very high23 Ų2351.4 Ų51.412%0.11826%0.264CS..G310 helixtrans-58.4-25.7-177.8-62.2171.7000111.2I20 W21 C25 L26 L31I20-I23 HydrophobicContact CD1-CD1 4.32Å; I20-I23 HydrophobicContact CG2-CD1 4.45Å; I20-I23 VanDerWaalsContact O-CB 3.29Å; I20-I23 WeakPolarHBondContact O-CB 3.36Å; I20-I23 WeakPolarHBondContact O-CG1 3.49Å; I20-I23 PolarHBondContact O-N 3.08Å; I20-I23 VanDerWaalsContact O-N 3.1Å; W21-I23 PolarHBondContact O-N 3.15Å; W21-I23 VanDerWaalsContact O-N 3.07Å; I23-C25 PolarHBondContact O-N 3.36Å; I23-C25 VanDerWaalsContact O-N 3.11Å; I23-L26 HydrophobicContact CG2-CD1 4.1Å; I23-L26 VanDerWaalsContact O-CB 3.31Å; I23-L26 WeakPolarHBondContact O-CB 3.41Å; I23-L26 PolarHBondContact O-N 3.34Å; I23-L31 HydrophobicContact CD1-CD1 3.68Å; I23-L31 HydrophobicContact CD1-CG 4.04Å; I23-L31 HydrophobicContact CG1-CD1 4.2Å; I23-L31 HydrophobicContact CG1-CG 4.23Å; I23-L31 HydrophobicContact CG2-CG 4.23Å
24K97.7Very high96.3Very high83 Ų8355.7 Ų55.736%0.36129%0.294SS..G310 helixtrans-63-14.3174.9-62.1-175.7-179.3-162.40114.1W21 V22 L26 V68W21-K24 HydrophobicContact CD2-CD 4.05Å; W21-K24 HydrophobicContact CE3-CD 4.23Å; W21-K24 HydrophobicContact CH2-CD 4.39Å; W21-K24 HydrophobicContact CZ2-CD 4.16Å; W21-K24 HydrophobicContact CZ3-CD 4.41Å; W21-K24 WeakPolarHBondContact O-CB 3.08Å; W21-K24 WeakPolarHBondContact O-CG 3.46Å; W21-K24 PolarHBondContact O-N 3.01Å; W21-K24 VanDerWaalsContact O-N 3.08Å; V22-K24 PolarHBondContact O-N 2.95Å; K24-L26 VanDerWaalsContact C-N 3.26Å; K24-V68 HydrophobicContact CB-CG1 3.91Å
25C96.8Very high96.2Very high6 Ų656.4 Ų56.44%0.04130%0.298CS..G310 helixtrans-71.8-22.4173780000113V22 I23 I55 V60 V68V22-C25 WeakPolarHBondContact O-CB 3.49Å; V22-C25 PolarHBondContact O-N 3.36Å; V22-C25 PolarHBondContact O-SG 3.45Å; I23-C25 PolarHBondContact O-N 3.36Å; I23-C25 VanDerWaalsContact O-N 3.11Å; C25-I55 VanDerWaalsContact SG-CG2 3.6Å; C25-V60 HydrophobicContact CB-CG1 4.03Å; C25-V68 HydrophobicContact CB-CB 4.31Å; C25-V68 HydrophobicContact CB-CG2 3.94Å
26L96.7Very high96.1Very high6 Ų659.3 Ų59.33%0.03131%0.311CS..SBendtrans-70.3146.1178.9-66.8170.4000110.7I23 K24 K28 Q29 T30 L31 Y54 I55 Q58 V60I23-L26 HydrophobicContact CG2-CD1 4.1Å; I23-L26 VanDerWaalsContact O-CB 3.31Å; I23-L26 WeakPolarHBondContact O-CB 3.41Å; I23-L26 PolarHBondContact O-N 3.34Å; K24-L26 VanDerWaalsContact C-N 3.26Å; L26-K28 PolarHBondContact O-N 3.01Å; L26-K28 VanDerWaalsContact O-N 3.13Å; L26-Q29 PolarHBondContact O-N 3.3Å; L26-T30 WeakPolarHBondContact CD1-O 3.31Å; L26-L31 HydrophobicContact CD1-CD2 3.76Å; L26-Y54 HydrophobicContact CD1-CD1 4.29Å; L26-Y54 HydrophobicContact CD1-CE1 3.96Å; L26-Y54 HydrophobicContact CD2-CD1 4.29Å; L26-Y54 HydrophobicContact CD2-CE1 4.01Å; L26-I55 HydrophobicContact CD1-CG1 4.46Å; L26-I55 HydrophobicContact CD2-CB 4.44Å; L26-I55 HydrophobicContact CD2-CG1 3.88Å; L26-I55 HydrophobicContact CG-CG1 4.15Å; L26-Q58 HydrophobicContact CD2-CB 4.06Å; L26-Q58 HydrophobicContact CD2-CG 3.75Å; L26-V60 HydrophobicContact CD2-CG2 4.41Å
27P91.8Very high96Very high108 Ų10860 Ų6070%0.70132%0.324SS*.THydrogen-bonded Turntrans-54.6-35.6178.5-27.834.8000114.2
28K93.7Very high95.9Very high179 Ų17960.1 Ų60.178%0.77833%0.326SS*.THydrogen-bonded Turntrans-92.9-7177.8-65-176.9-179.8177.40113.8L26 T30L26-K28 PolarHBondContact O-N 3.01Å; L26-K28 VanDerWaalsContact O-N 3.13Å; K28-T30 PolarHBondContact O-N 2.96Å; K28-T30 VanDerWaalsContact O-N 3.13Å
29Q95Very high95.8Very high121 Ų12165.3 Ų65.357%0.56535%0.347SS*.SBendtrans53.126.9-174-52.3-174.728.400114.1L26L26-Q29 PolarHBondContact O-N 3.3Å
30T96Very high95.8Very high84 Ų8472.7 Ų72.752%0.51537%0.374SS..SBendtrans-143.3153.3179.262.60000109.5L26 K28L26-T30 WeakPolarHBondContact CD1-O 3.31Å; K28-T30 PolarHBondContact O-N 2.96Å; K28-T30 VanDerWaalsContact O-N 3.13Å
31L96.3Very high95.4Very high18 Ų1880.4 Ų80.49%0.09440%0.398CS..  trans-86.4149.8169.2-65.7170.7000110.2I23 L26 V35 E36 Y47 V51 Y54I23-L31 HydrophobicContact CD1-CD1 3.68Å; I23-L31 HydrophobicContact CD1-CG 4.04Å; I23-L31 HydrophobicContact CG1-CD1 4.2Å; I23-L31 HydrophobicContact CG1-CG 4.23Å; I23-L31 HydrophobicContact CG2-CG 4.23Å; L26-L31 HydrophobicContact CD1-CD2 3.76Å; L31-V35 HydrophobicContact CD1-CG1 4.49Å; L31-V35 HydrophobicContact CD2-CG1 4.26Å; L31-E36 HydrophobicContact CB-CB 4.43Å; L31-Y47 WeakPolarHBondContact CD1-OH 3.42Å; L31-V51 HydrophobicContact CD1-CG1 4.23Å; L31-V51 HydrophobicContact CD1-CG2 3.83Å; L31-V51 HydrophobicContact CD2-CG1 4.02Å; L31-Y54 HydrophobicContact CD2-CD1 3.83Å; L31-Y54 HydrophobicContact CD2-CE1 4.19Å
32P96.1Very high94.8Very high38 Ų3881.2 Ų81.225%0.24742%0.415CS..  trans-76.6154.3166.932.7-34.8000110.7S34 V35 E36 Y54P32-S34 PolarHBondContact O-N 2.83Å; P32-V35 HydrophobicContact CG-CB 4.32Å; P32-V35 HydrophobicContact CG-CG2 3.93Å; P32-V35 PolarHBondContact O-N 3.06Å; P32-E36 PolarHBondContact O-N 2.77Å; P32-Y54 VanDerWaalsContact CD-CE1 3.46Å; P32-Y54 VanDerWaalsContact CD-CZ 3.44Å; P32-Y54 HydrophobicContact CG-CE1 4.09Å; P32-Y54 HydrophobicContact CG-CE2 3.81Å
33D96.1Very high94.4Very high127 Ų12784.3 Ų84.368%0.67943%0.429SS*.Hα-helixtrans-51.3-33.3176.2-65.4-6.1000112.9V35 S37D33-V35 PolarHBondContact O-N 3.5Å; D33-S37 VanDerWaalsContact O-CB 3.23Å; D33-S37 WeakPolarHBondContact O-CB 3.29Å; D33-S37 PolarHBondContact O-N 3.09Å; D33-S37 PolarHBondContact O-OG 3.4Å
34S95.3Very high94.1Very high90 Ų9087.1 Ų87.163%0.62944%0.439SS*.Hα-helixtrans-62.7-22.3178.960.20000113.9P32 T38P32-S34 PolarHBondContact O-N 2.83Å; S34-T38 WeakPolarHBondContact O-CG2 3.37Å
35V96.3Very high93.8Very high15 Ų1583.5 Ų83.59%0.09142%0.424CS..Hα-helixtrans-101.3-48.9175.2178.60000109.8L31 P32 D33 S37 T38 Y47 V51 Y54L31-V35 HydrophobicContact CD1-CG1 4.49Å; L31-V35 HydrophobicContact CD2-CG1 4.26Å; P32-V35 HydrophobicContact CG-CB 4.32Å; P32-V35 HydrophobicContact CG-CG2 3.93Å; P32-V35 PolarHBondContact O-N 3.06Å; D33-V35 PolarHBondContact O-N 3.5Å; V35-S37 VanDerWaalsContact C-N 3.33Å; V35-S37 PolarHBondContact O-N 2.73Å; V35-T38 VanDerWaalsContact O-CB 3.31Å; V35-T38 WeakPolarHBondContact O-CB 3.32Å; V35-T38 WeakPolarHBondContact O-CG2 3.5Å; V35-T38 PolarHBondContact O-N 2.74Å; V35-T38 PolarHBondContact O-OG1 2.74Å; V35-Y47 WeakPolarHBondContact O-CE2 3.39Å; V35-V51 HydrophobicContact CG1-CG2 3.92Å; V35-Y54 HydrophobicContact CG2-CD1 4.3Å; V35-Y54 HydrophobicContact CG2-CD2 3.75Å; V35-Y54 HydrophobicContact CG2-CE2 4.38Å; V35-Y54 HydrophobicContact CG2-CG 3.71Å
36E94.9Very high93.6Very high110 Ų11086 Ų8651%0.51444%0.435SS..Hα-helixtrans-59-42-175.2-172.6171.6-171.500112.5L31 P32 T38 Y39L31-E36 HydrophobicContact CB-CB 4.43Å; P32-E36 PolarHBondContact O-N 2.77Å; E36-T38 PolarHBondContact O-N 2.92Å; E36-T38 VanDerWaalsContact O-N 3.09Å; E36-Y39 PolarHBondContact O-N 2.91Å
37S95.6Very high93.5Very high95 Ų9586.4 Ų86.466%0.66444%0.436SS*.THydrogen-bonded Turntrans-69.4-5.9178.765.30000114.6D33 V35 Y39D33-S37 VanDerWaalsContact O-CB 3.23Å; D33-S37 WeakPolarHBondContact O-CB 3.29Å; D33-S37 PolarHBondContact O-N 3.09Å; D33-S37 PolarHBondContact O-OG 3.4Å; V35-S37 VanDerWaalsContact C-N 3.33Å; V35-S37 PolarHBondContact O-N 2.73Å; S37-Y39 VanDerWaalsContact C-N 3.31Å
38T96.1Very high93.7Very high41 Ų4181.3 Ų81.325%0.25240%0.403SS..THydrogen-bonded Turntrans-83.2-5.9-179.174.20000113.6S34 V35 E36 R40 R50S34-T38 WeakPolarHBondContact O-CG2 3.37Å; V35-T38 VanDerWaalsContact O-CB 3.31Å; V35-T38 WeakPolarHBondContact O-CB 3.32Å; V35-T38 WeakPolarHBondContact O-CG2 3.5Å; V35-T38 PolarHBondContact O-N 2.74Å; V35-T38 PolarHBondContact O-OG1 2.74Å; E36-T38 PolarHBondContact O-N 2.92Å; E36-T38 VanDerWaalsContact O-N 3.09Å; T38-R40 PolarHBondContact O-N 2.62Å; T38-R50 PolarHBondContact O-NH2 3.34Å; T38-R50 PolarHBondContact OG1-NE 2.95Å
39Y95.6Very high93.7Very high108 Ų10874 Ų7442%0.42438%0.378SS..  trans-61.2135.1175.6170.8-114.7000111.1E36 S37 W44 Y47E36-Y39 PolarHBondContact O-N 2.91Å; S37-Y39 VanDerWaalsContact C-N 3.31Å; Y39-W44 HydrophobicContact CD2-CE3 4.08Å; Y39-W44 AromaticContact CE2-CE3 3.79Å; Y39-W44 HydrophobicContact CE2-CE3 3.79Å; Y39-W44 HydrophobicContact CE2-CZ3 4.48Å; Y39-Y47 HydrophobicContact CD2-CD1 4.28Å; Y39-Y47 HydrophobicContact CD2-CG 4.09Å
40R92.6Very high93.7Very high164 Ų16472 Ų7262%0.61937%0.366SS*.  trans-123.5139171.9-55.5-174.3-155165.14108.8T38 G42 Q43T38-R40 PolarHBondContact O-N 2.62Å; R40-G42 PolarHBondContact O-N 2.79Å; R40-Q43 HydrophobicContact CB-CB 4.25Å; R40-Q43 PolarHBondContact O-N 2.98Å
41R88.3Confident93.8Very high243 Ų24368 Ų6892%0.91734%0.341SS*.THydrogen-bonded Turntrans-53.2124.1-179-175.9179.3179.3-176.9-0.2110.7Q43R41-Q43 VanDerWaalsContact C-N 3.31Å
42G85.6Confident93.8Very high46 Ų4667.4 Ų67.447%0.47434%0.338SS..THydrogen-bonded Turntrans82.13.2178.900000115.1R40R40-G42 PolarHBondContact O-N 2.79Å
43Q88.7Confident93.7Very high65 Ų6567.4 Ų67.430%0.30434%0.341SS..  trans-117.549.8177.7-66.2-169.4-21.900111.1R40 R41 E46 Y47R40-Q43 HydrophobicContact CB-CB 4.25Å; R40-Q43 PolarHBondContact O-N 2.98Å; R41-Q43 VanDerWaalsContact C-N 3.31Å; Q43-E46 WeakPolarHBondContact CA-OE2 3.45Å; Q43-E46 WeakPolarHBondContact CB-OE2 3.39Å; Q43-Y47 WeakPolarHBondContact O-CB 3.17Å; Q43-Y47 PolarHBondContact O-N 3.18Å; Q43-Y47 VanDerWaalsContact O-N 3.08Å
44W91.7Very high93.8Very high82 Ų8263.6 Ų63.631%0.31132%0.317SS..Hα-helixtrans-66.3-48.3-177.1-177.6-99.2000111.6D19 I20 Y39 E46 Y47 M48D19-W44 HydrophobicContact CB-CZ2 4.02Å; D19-W44 PolarHBondContact OD2-NE1 2.76Å; I20-W44 HydrophobicContact CD1-CH2 3.83Å; I20-W44 HydrophobicContact CD1-CZ2 4.14Å; Y39-W44 HydrophobicContact CD2-CE3 4.08Å; Y39-W44 AromaticContact CE2-CE3 3.79Å; Y39-W44 HydrophobicContact CE2-CE3 3.79Å; Y39-W44 HydrophobicContact CE2-CZ3 4.48Å; W44-E46 PolarHBondContact O-N 2.9Å; W44-Y47 HydrophobicContact CE3-CD1 4.22Å; W44-Y47 HydrophobicContact CH2-CE1 4.42Å; W44-Y47 HydrophobicContact CZ3-CD1 4.2Å; W44-Y47 HydrophobicContact CZ3-CE1 4.27Å; W44-Y47 WeakPolarHBondContact O-CA 3.48Å; W44-Y47 WeakPolarHBondContact O-CB 3.31Å; W44-Y47 PolarHBondContact O-N 3.46Å; W44-Y47 VanDerWaalsContact O-N 3.11Å; W44-M48 HydrophobicContact CD2-CG 4.47Å; W44-M48 HydrophobicContact CZ2-CG 4.29Å; W44-M48 HydrophobicContact CZ2-SD 4.02Å; W44-M48 PolarHBondContact O-N 2.89Å
45T91.3Very high93.9Very high8 Ų859.5 Ų59.55%0.04929%0.288CS..Hα-helixtrans-62.2-41.3-179.2-49.90000111.8Y47 M48 G49 N150T45-Y47 VanDerWaalsContact C-N 3.34Å; T45-Y47 PolarHBondContact O-N 2.93Å; T45-M48 PolarHBondContact O-N 3.06Å; T45-G49 PolarHBondContact O-N 3.45Å; T45-N150 HydrophobicContact CG2-CB 4.46Å; T45-N150 VanDerWaalsContact OG1-CB 3.32Å; T45-N150 WeakPolarHBondContact OG1-CB 3.5Å; T45-N150 VanDerWaalsContact OG1-CG 3.3Å
46E91.2Very high93.8Very high59 Ų5959.2 Ų59.228%0.27629%0.288SS..Hα-helixtrans-68.2-34.4175.6-55.598.1142.500112.3Q43 W44 G49 R50 H138Q43-E46 WeakPolarHBondContact CA-OE2 3.45Å; Q43-E46 WeakPolarHBondContact CB-OE2 3.39Å; W44-E46 PolarHBondContact O-N 2.9Å; E46-G49 PolarHBondContact O-N 3.3Å; E46-R50 PolarHBondContact O-N 3.15Å; E46-R50 PolarHBondContact O-NH1 3.26Å; E46-H138 IonicContact OE1-CE1 3.7Å; E46-H138 IonicContact OE1-NE2 3.86Å
47Y95.3Very high93.9Very high13 Ų1358.8 Ų58.85%0.05129%0.29CS..Hα-helixtrans-62.3-46.9172.1167.8-105.9000111.3L31 V35 Y39 Q43 W44 T45 G49 R50 V51L31-Y47 WeakPolarHBondContact CD1-OH 3.42Å; V35-Y47 WeakPolarHBondContact O-CE2 3.39Å; Y39-Y47 HydrophobicContact CD2-CD1 4.28Å; Y39-Y47 HydrophobicContact CD2-CG 4.09Å; Q43-Y47 WeakPolarHBondContact O-CB 3.17Å; Q43-Y47 PolarHBondContact O-N 3.18Å; Q43-Y47 VanDerWaalsContact O-N 3.08Å; W44-Y47 HydrophobicContact CE3-CD1 4.22Å; W44-Y47 HydrophobicContact CH2-CE1 4.42Å; W44-Y47 HydrophobicContact CZ3-CD1 4.2Å; W44-Y47 HydrophobicContact CZ3-CE1 4.27Å; W44-Y47 WeakPolarHBondContact O-CA 3.48Å; W44-Y47 WeakPolarHBondContact O-CB 3.31Å; W44-Y47 PolarHBondContact O-N 3.46Å; W44-Y47 VanDerWaalsContact O-N 3.11Å; T45-Y47 VanDerWaalsContact C-N 3.34Å; T45-Y47 PolarHBondContact O-N 2.93Å; Y47-G49 VanDerWaalsContact C-N 3.26Å; Y47-G49 PolarHBondContact O-N 3.32Å; Y47-R50 WeakPolarHBondContact O-CA 3.42Å; Y47-R50 WeakPolarHBondContact O-CB 3.44Å; Y47-R50 PolarHBondContact O-N 3.04Å; Y47-V51 HydrophobicContact CD1-CG2 4.42Å; Y47-V51 HydrophobicContact CE1-CG2 3.92Å; Y47-V51 HydrophobicContact CE2-CG2 4.07Å; Y47-V51 PolarHBondContact O-N 3.17Å
48M95.6Very high93.9Very high1 Ų158.6 Ų58.61%0.00528%0.278CS..Hα-helixtrans-63.1-32.8176.6-70.8-48.4-54.300112.5D19 V22 W44 T45 R50 V51 M52 L136D19-M48 HydrophobicContact CB-CE 3.76Å; D19-M48 HydrophobicContact CB-CG 4Å; D19-M48 HydrophobicContact CB-SD 3.88Å; D19-M48 WeakPolarHBondContact O-CE 3.46Å; V22-M48 HydrophobicContact CG1-CE 4.3Å; W44-M48 HydrophobicContact CD2-CG 4.47Å; W44-M48 HydrophobicContact CZ2-CG 4.29Å; W44-M48 HydrophobicContact CZ2-SD 4.02Å; W44-M48 PolarHBondContact O-N 2.89Å; T45-M48 PolarHBondContact O-N 3.06Å; M48-R50 VanDerWaalsContact C-N 3.3Å; M48-R50 PolarHBondContact O-N 3.49Å; M48-V51 HydrophobicContact CE-CB 3.91Å; M48-V51 HydrophobicContact CE-CG1 3.85Å; M48-V51 HydrophobicContact CE-CG2 4.36Å; M48-V51 WeakPolarHBondContact O-CB 3.22Å; M48-V51 PolarHBondContact O-N 2.97Å; M48-V51 VanDerWaalsContact O-N 3.12Å; M48-V51 HydrophobicContact SD-CB 4.35Å; M48-V51 HydrophobicContact SD-CG2 4.19Å; M48-M52 HydrophobicContact CE-CE 3.81Å; M48-M52 WeakPolarHBondContact O-CG 3.23Å; M48-M52 PolarHBondContact O-N 3.2Å; M48-L136 HydrophobicContact CB-CD1 3.74Å
49G94.7Very high93.8Very high25 Ų2559.6 Ų59.626%0.25830%0.297SS..Hα-helixtrans-58.5-39.4170.400000113.2T45 E46 Y47 M52 A53T45-G49 PolarHBondContact O-N 3.45Å; E46-G49 PolarHBondContact O-N 3.3Å; Y47-G49 VanDerWaalsContact C-N 3.26Å; Y47-G49 PolarHBondContact O-N 3.32Å; G49-M52 PolarHBondContact O-N 3.28Å; G49-A53 PolarHBondContact O-N 3.25Å
50R95.6Very high93.9Very high81 Ų8155.3 Ų55.331%0.30628%0.282SS..Hα-helixtrans-69.1-36.2174.1-67.6-176.3-69.9-77.37.9112.3T38 E46 Y47 M48 Y54T38-R50 PolarHBondContact O-NH2 3.34Å; T38-R50 PolarHBondContact OG1-NE 2.95Å; E46-R50 PolarHBondContact O-N 3.15Å; E46-R50 PolarHBondContact O-NH1 3.26Å; Y47-R50 WeakPolarHBondContact O-CA 3.42Å; Y47-R50 WeakPolarHBondContact O-CB 3.44Å; Y47-R50 PolarHBondContact O-N 3.04Å; M48-R50 VanDerWaalsContact C-N 3.3Å; M48-R50 PolarHBondContact O-N 3.49Å; R50-Y54 WeakPolarHBondContact O-CB 3.27Å; R50-Y54 PolarHBondContact O-N 3.36Å
51V96.8Very high94Very high0 Ų051 Ų510%027%0.274CS..Hα-helixtrans-63.6-45.4174.3173.10000110.8L31 V35 Y47 M48 Y54 I55L31-V51 HydrophobicContact CD1-CG1 4.23Å; L31-V51 HydrophobicContact CD1-CG2 3.83Å; L31-V51 HydrophobicContact CD2-CG1 4.02Å; V35-V51 HydrophobicContact CG1-CG2 3.92Å; Y47-V51 HydrophobicContact CD1-CG2 4.42Å; Y47-V51 HydrophobicContact CE1-CG2 3.92Å; Y47-V51 HydrophobicContact CE2-CG2 4.07Å; Y47-V51 PolarHBondContact O-N 3.17Å; M48-V51 HydrophobicContact CE-CB 3.91Å; M48-V51 HydrophobicContact CE-CG1 3.85Å; M48-V51 HydrophobicContact CE-CG2 4.36Å; M48-V51 WeakPolarHBondContact O-CB 3.22Å; M48-V51 PolarHBondContact O-N 2.97Å; M48-V51 VanDerWaalsContact O-N 3.12Å; M48-V51 HydrophobicContact SD-CB 4.35Å; M48-V51 HydrophobicContact SD-CG2 4.19Å; V51-Y54 WeakPolarHBondContact O-CB 3.38Å; V51-Y54 PolarHBondContact O-N 3.4Å; V51-I55 HydrophobicContact CG1-CD1 3.98Å; V51-I55 WeakPolarHBondContact O-CG1 3.26Å; V51-I55 PolarHBondContact O-N 2.96Å
52M96.3Very high94.4Very high4 Ų441.1 Ų41.12%0.0224%0.241CC..Hα-helixtrans-63.8-41.3177.5-63.1-48.8167.500112.3V22 M48 G49 Y54 I55 G56 F104 M134 L136V22-M52 HydrophobicContact CG1-CE 4.1Å; V22-M52 HydrophobicContact CG2-CE 4.39Å; V22-M52 HydrophobicContact CG2-SD 4.34Å; M48-M52 HydrophobicContact CE-CE 3.81Å; M48-M52 WeakPolarHBondContact O-CG 3.23Å; M48-M52 PolarHBondContact O-N 3.2Å; G49-M52 PolarHBondContact O-N 3.28Å; M52-Y54 VanDerWaalsContact C-N 3.34Å; M52-Y54 PolarHBondContact O-N 2.89Å; M52-I55 PolarHBondContact O-N 3.36Å; M52-I55 HydrophobicContact SD-CD1 4.08Å; M52-G56 PolarHBondContact O-N 3.38Å; M52-F104 HydrophobicContact CE-CE1 4.46Å; M52-F104 HydrophobicContact CE-CE2 3.56Å; M52-F104 HydrophobicContact CE-CZ 3.32Å; M52-F104 HydrophobicContact SD-CZ 4.06Å; M52-M134 HydrophobicContact CB-CB 4.24Å; M52-M134 WeakPolarHBondContact CB-O 3.25Å; M52-M134 HydrophobicContact CE-SD 4.36Å; M52-M134 HydrophobicContact CG-CB 4.4Å; M52-M134 HydrophobicContact CG-CG 4.27Å; M52-M134 HydrophobicContact CG-SD 4.31Å; M52-M134 HydrophobicContact SD-SD 4Å; M52-L136 HydrophobicContact CE-CD1 4.47Å; M52-L136 HydrophobicContact CG-CD1 4.14Å; M52-L136 HydrophobicContact CG-CG 4.35Å
53A95.2Very high94.9Very high38 Ų3844.5 Ų44.531%0.31425%0.248SC..Hα-helixtrans-59.6-45.1173.700000111.5G49 I55 G56 D57G49-A53 PolarHBondContact O-N 3.25Å; A53-I55 PolarHBondContact O-N 3.11Å; A53-G56 PolarHBondContact O-N 3.23Å; A53-D57 PolarHBondContact O-N 2.83Å
54Y96.9Very high95.3Very high47 Ų4747.6 Ų47.618%0.18426%0.257CS..Hα-helixtrans-62.1-40.8176.5176.4-103.9000112.7L26 L31 P32 V35 R50 V51 M52 G56 D57 Q58L26-Y54 HydrophobicContact CD1-CD1 4.29Å; L26-Y54 HydrophobicContact CD1-CE1 3.96Å; L26-Y54 HydrophobicContact CD2-CD1 4.29Å; L26-Y54 HydrophobicContact CD2-CE1 4.01Å; L31-Y54 HydrophobicContact CD2-CD1 3.83Å; L31-Y54 HydrophobicContact CD2-CE1 4.19Å; P32-Y54 VanDerWaalsContact CD-CE1 3.46Å; P32-Y54 VanDerWaalsContact CD-CZ 3.44Å; P32-Y54 HydrophobicContact CG-CE1 4.09Å; P32-Y54 HydrophobicContact CG-CE2 3.81Å; V35-Y54 HydrophobicContact CG2-CD1 4.3Å; V35-Y54 HydrophobicContact CG2-CD2 3.75Å; V35-Y54 HydrophobicContact CG2-CE2 4.38Å; V35-Y54 HydrophobicContact CG2-CG 3.71Å; R50-Y54 WeakPolarHBondContact O-CB 3.27Å; R50-Y54 PolarHBondContact O-N 3.36Å; V51-Y54 WeakPolarHBondContact O-CB 3.38Å; V51-Y54 PolarHBondContact O-N 3.4Å; M52-Y54 VanDerWaalsContact C-N 3.34Å; M52-Y54 PolarHBondContact O-N 2.89Å; Y54-G56 VanDerWaalsContact C-N 3.29Å; Y54-G56 PolarHBondContact O-N 2.93Å; Y54-D57 PolarHBondContact O-N 3.35Å; Y54-Q58 HydrophobicContact CD1-CG 4.39Å; Y54-Q58 HydrophobicContact CE1-CG 3.86Å; Y54-Q58 HydrophobicContact CE2-CG 4.17Å; Y54-Q58 WeakPolarHBondContact O-CG 3.45Å; Y54-Q58 PolarHBondContact O-N 2.85Å; Y54-Q58 VanDerWaalsContact O-N 3.08Å
55I97Very high95.6Very high5 Ų544.1 Ų44.13%0.02625%0.245CC..Hα-helixtrans-57.9-45.1174.3-72.4166.6000110.4V22 C25 L26 V51 M52 A53 Q58 V60 V65V22-I55 HydrophobicContact CG1-CD1 4.07Å; V22-I55 HydrophobicContact CG2-CD1 3.99Å; C25-I55 VanDerWaalsContact SG-CG2 3.6Å; L26-I55 HydrophobicContact CD1-CG1 4.46Å; L26-I55 HydrophobicContact CD2-CB 4.44Å; L26-I55 HydrophobicContact CD2-CG1 3.88Å; L26-I55 HydrophobicContact CG-CG1 4.15Å; V51-I55 HydrophobicContact CG1-CD1 3.98Å; V51-I55 WeakPolarHBondContact O-CG1 3.26Å; V51-I55 PolarHBondContact O-N 2.96Å; M52-I55 PolarHBondContact O-N 3.36Å; M52-I55 HydrophobicContact SD-CD1 4.08Å; A53-I55 PolarHBondContact O-N 3.11Å; I55-Q58 PolarHBondContact O-N 3.4Å; I55-V60 HydrophobicContact CG2-CB 3.68Å; I55-V60 HydrophobicContact CG2-CG1 3.9Å; I55-V60 HydrophobicContact CG2-CG2 4.24Å; I55-V60 WeakPolarHBondContact O-CB 3.45Å; I55-V60 PolarHBondContact O-N 2.78Å; I55-V65 HydrophobicContact CG2-CG2 4.06Å
56G95.4Very high95.9Very high9 Ų947.8 Ų47.89%0.09326%0.258CS..Hα-helixtrans-58.3-45.5173.600000112.7M52 A53 Y54 Q58 G59 Y133M52-G56 PolarHBondContact O-N 3.38Å; A53-G56 PolarHBondContact O-N 3.23Å; Y54-G56 VanDerWaalsContact C-N 3.29Å; Y54-G56 PolarHBondContact O-N 2.93Å; G56-Q58 PolarHBondContact O-N 2.98Å; G56-G59 WeakPolarHBondContact O-CA 3.29Å; G56-G59 PolarHBondContact O-N 3.1Å; G56-Y133 VanDerWaalsContact C-CZ 3.5Å
57D95.7Very high96.2Very high101 Ų10147.7 Ų47.754%0.5426%0.264SS..Hα-helixtrans-63.8-22.8178.1-69.1-23.4000113.6A53 Y54 G59 Y133A53-D57 PolarHBondContact O-N 2.83Å; Y54-D57 PolarHBondContact O-N 3.35Å; D57-G59 PolarHBondContact O-N 3.44Å; D57-Y133 VanDerWaalsContact OD1-CE2 3.28Å; D57-Y133 WeakPolarHBondContact OD1-CE2 3.34Å; D57-Y133 PolarHBondContact OD1-OH 2.8Å
58Q96.4Very high96.4Very high91 Ų9147.6 Ų47.643%0.42526%0.264SS..THydrogen-bonded Turntrans-80.23.6171.6-61.7-46.6-78.700113.2L26 Y54 I55 G56 V60L26-Q58 HydrophobicContact CD2-CB 4.06Å; L26-Q58 HydrophobicContact CD2-CG 3.75Å; Y54-Q58 HydrophobicContact CD1-CG 4.39Å; Y54-Q58 HydrophobicContact CE1-CG 3.86Å; Y54-Q58 HydrophobicContact CE2-CG 4.17Å; Y54-Q58 WeakPolarHBondContact O-CG 3.45Å; Y54-Q58 PolarHBondContact O-N 2.85Å; Y54-Q58 VanDerWaalsContact O-N 3.08Å; I55-Q58 PolarHBondContact O-N 3.4Å; G56-Q58 PolarHBondContact O-N 2.98Å; Q58-V60 VanDerWaalsContact C-N 3.26Å; Q58-V60 HydrophobicContact CB-CG2 4.23Å; Q58-V60 PolarHBondContact O-N 3Å
59G95Very high96.5Very high62 Ų6247.5 Ų47.564%0.63926%0.264SS*.THydrogen-bonded Turntrans71.918.4-178.100000113.6G56 D57 T61G56-G59 WeakPolarHBondContact O-CA 3.29Å; G56-G59 PolarHBondContact O-N 3.1Å; D57-G59 PolarHBondContact O-N 3.44Å; G59-T61 PolarHBondContact O-N 2.85Å
60V96.4Very high96.7Very high18 Ų1849.9 Ų49.911%0.10927%0.268CS..  trans-75.7122.8176.1-179.70000108.9C25 L26 I55 Q58 R64 V65C25-V60 HydrophobicContact CB-CG1 4.03Å; L26-V60 HydrophobicContact CD2-CG2 4.41Å; I55-V60 HydrophobicContact CG2-CB 3.68Å; I55-V60 HydrophobicContact CG2-CG1 3.9Å; I55-V60 HydrophobicContact CG2-CG2 4.24Å; I55-V60 WeakPolarHBondContact O-CB 3.45Å; I55-V60 PolarHBondContact O-N 2.78Å; Q58-V60 VanDerWaalsContact C-N 3.26Å; Q58-V60 HydrophobicContact CB-CG2 4.23Å; Q58-V60 PolarHBondContact O-N 3Å; V60-R64 HydrophobicContact CG1-CB 3.94Å; V60-R64 HydrophobicContact CG1-CG 3.82Å; V60-V65 HydrophobicContact CG1-CG2 3.85Å
61T95.4Very high96.8Very high74 Ų7450.3 Ų50.345%0.45428%0.28SS..  trans-78.1153.7-179.464.30000112G59 D63 R64 V65G59-T61 PolarHBondContact O-N 2.85Å; T61-D63 PolarHBondContact O-N 2.83Å; T61-R64 WeakPolarHBondContact O-CB 3.27Å; T61-R64 PolarHBondContact O-N 2.8Å; T61-R64 PolarHBondContact OG1-N 2.93Å; T61-V65 PolarHBondContact O-N 2.75Å
62P96Very high96.9Very high35 Ų3550.5 Ų50.523%0.22728%0.281CS..Hα-helixtrans-52.8-38.6171.8-29.436.9000113.5R64 V65 R66 I128 G132P62-R64 VanDerWaalsContact C-N 3.3Å; P62-R64 PolarHBondContact O-N 2.83Å; P62-V65 WeakPolarHBondContact O-CB 3.44Å; P62-V65 PolarHBondContact O-N 2.73Å; P62-V65 VanDerWaalsContact O-N 3.17Å; P62-R66 WeakPolarHBondContact O-CB 3.33Å; P62-R66 PolarHBondContact O-N 2.8Å; P62-I128 HydrophobicContact CB-CD1 3.88Å; P62-I128 HydrophobicContact CB-CG1 4.18Å; P62-I128 HydrophobicContact CG-CD1 3.76Å; P62-I128 HydrophobicContact CG-CG1 4.06Å; P62-I128 HydrophobicContact CG-CG2 4.09Å; P62-G132 WeakPolarHBondContact CG-O 3.34Å
63D96.3Very high97Very high116 Ų11652.8 Ų52.862%0.6230%0.296SS*.Hα-helixtrans-63.2-35.8176.5-68.5-24.2000112.7T61 S67T61-D63 PolarHBondContact O-N 2.83Å; D63-S67 WeakPolarHBondContact O-CB 3.31Å; D63-S67 PolarHBondContact O-N 3.07Å; D63-S67 PolarHBondContact O-OG 2.88Å
64R96.8Very high97.2Very high131 Ų13153 Ų5349%0.49429%0.29SS..Hα-helixtrans-68.6-41.4174.4177.657.1-179.5171.63.7110.9V60 T61 P62 S67 V68V60-R64 HydrophobicContact CG1-CB 3.94Å; V60-R64 HydrophobicContact CG1-CG 3.82Å; T61-R64 WeakPolarHBondContact O-CB 3.27Å; T61-R64 PolarHBondContact O-N 2.8Å; T61-R64 PolarHBondContact OG1-N 2.93Å; P62-R64 VanDerWaalsContact C-N 3.3Å; P62-R64 PolarHBondContact O-N 2.83Å; R64-S67 PolarHBondContact O-N 3.36Å; R64-V68 WeakPolarHBondContact O-CG2 3.49Å; R64-V68 PolarHBondContact O-N 3.22Å; R64-V68 VanDerWaalsContact O-N 3.11Å
65V97.8Very high97.3Very high9 Ų950.7 Ų50.76%0.05528%0.281CS..Hα-helixtrans-59.9-50.5174.4-176.70000109.9V22 I55 V60 T61 P62 S67 V68 M69 F104 W107V22-V65 HydrophobicContact CG2-CG1 3.56Å; I55-V65 HydrophobicContact CG2-CG2 4.06Å; V60-V65 HydrophobicContact CG1-CG2 3.85Å; T61-V65 PolarHBondContact O-N 2.75Å; P62-V65 WeakPolarHBondContact O-CB 3.44Å; P62-V65 PolarHBondContact O-N 2.73Å; P62-V65 VanDerWaalsContact O-N 3.17Å; V65-S67 PolarHBondContact O-N 3.39Å; V65-V68 WeakPolarHBondContact O-CB 3.47Å; V65-V68 PolarHBondContact O-N 2.98Å; V65-M69 HydrophobicContact CG1-CG 4.36Å; V65-M69 WeakPolarHBondContact O-CG 3.39Å; V65-M69 PolarHBondContact O-N 3.23Å; V65-F104 HydrophobicContact CG1-CE1 3.88Å; V65-F104 HydrophobicContact CG1-CZ 4.3Å; V65-W107 HydrophobicContact CB-CZ3 4.14Å; V65-W107 HydrophobicContact CG1-CZ3 3.83Å
66R98.1Very high97.3Very high85 Ų8554 Ų5432%0.32130%0.302SS..Hα-helixtrans-52.6-50.8174.9175.5177.6175.1160.710.7112P62 V68 M69 E70 W107P62-R66 WeakPolarHBondContact O-CB 3.33Å; P62-R66 PolarHBondContact O-N 2.8Å; R66-V68 PolarHBondContact O-N 3.01Å; R66-M69 PolarHBondContact O-N 2.87Å; R66-E70 HydrophobicContact CG-CG 4.32Å; R66-E70 IonicContact CZ-OE1 2.98Å; R66-E70 IonicContact NE-OE1 3.95Å; R66-E70 PolarHBondContact NE-OE1 3.13Å; R66-E70 IonicContact NH2-OE1 2.76Å; R66-E70 PolarHBondContact NH2-OE1 3.11Å; R66-E70 WeakPolarHBondContact O-CG 3.39Å; R66-E70 PolarHBondContact O-N 2.77Å; R66-W107 HydrophobicContact CB-CD2 3.71Å; R66-W107 HydrophobicContact CB-CE3 3.8Å; R66-W107 HydrophobicContact CB-CG 4.18Å; R66-W107 HydrophobicContact CB-CH2 4.23Å; R66-W107 HydrophobicContact CB-CZ2 4.17Å; R66-W107 HydrophobicContact CB-CZ3 4.07Å; R66-W107 HydrophobicContact CG-CB 4.09Å; R66-W107 HydrophobicContact CG-CD2 3.83Å; R66-W107 HydrophobicContact CG-CE3 4.33Å; R66-W107 HydrophobicContact CG-CG 3.74Å
67S98.2Very high97.5Very high57 Ų5754.2 Ų54.240%0.39931%0.305SS..Hα-helixtrans-58.4-34.1179.4-580000112.5D63 R64 V65 T71D63-S67 WeakPolarHBondContact O-CB 3.31Å; D63-S67 PolarHBondContact O-N 3.07Å; D63-S67 PolarHBondContact O-OG 2.88Å; R64-S67 PolarHBondContact O-N 3.36Å; V65-S67 PolarHBondContact O-N 3.39Å; S67-T71 WeakPolarHBondContact O-CG2 3.16Å
68V98.3Very high97.6Very high10 Ų1049.4 Ų49.46%0.06128%0.28CS..Hα-helixtrans-74.3-42.6174.71700000111.1W21 K24 C25 R64 V65 R66 E70 T71W21-V68 PolarHBondContact NE1-O 2.94Å; W21-V68 VanDerWaalsContact NE1-O 3.08Å; K24-V68 HydrophobicContact CB-CG1 3.91Å; C25-V68 HydrophobicContact CB-CB 4.31Å; C25-V68 HydrophobicContact CB-CG2 3.94Å; R64-V68 WeakPolarHBondContact O-CG2 3.49Å; R64-V68 PolarHBondContact O-N 3.22Å; R64-V68 VanDerWaalsContact O-N 3.11Å; V65-V68 WeakPolarHBondContact O-CB 3.47Å; V65-V68 PolarHBondContact O-N 2.98Å; R66-V68 PolarHBondContact O-N 3.01Å; V68-E70 VanDerWaalsContact C-N 3.32Å; V68-E70 PolarHBondContact O-N 2.79Å; V68-T71 PolarHBondContact O-N 3.23Å; V68-T71 PolarHBondContact O-OG1 2.88Å
69M98.4Very high97.7Very high0 Ų047.1 Ų47.10%027%0.273CS..Hα-helixtrans-60.4-41.5177.1-70.3-47.5-51.700112.1C18 V22 V65 R66 T71 I72 F104 W107 V108C18-M69 HydrophobicContact CB-CE 3.59Å; V22-M69 HydrophobicContact CB-SD 4.24Å; V22-M69 HydrophobicContact CG2-SD 4.49Å; V65-M69 HydrophobicContact CG1-CG 4.36Å; V65-M69 WeakPolarHBondContact O-CG 3.39Å; V65-M69 PolarHBondContact O-N 3.23Å; R66-M69 PolarHBondContact O-N 2.87Å; M69-T71 PolarHBondContact O-N 2.78Å; M69-I72 HydrophobicContact CE-CD1 4.21Å; M69-I72 WeakPolarHBondContact O-CB 3.36Å; M69-I72 WeakPolarHBondContact O-CG2 3.48Å; M69-I72 PolarHBondContact O-N 3.05Å; M69-F104 HydrophobicContact CE-CB 4.15Å; M69-F104 HydrophobicContact CE-CD2 4.07Å; M69-F104 HydrophobicContact CE-CG 4.06Å; M69-F104 HydrophobicContact CG-CD1 3.87Å; M69-F104 HydrophobicContact CG-CE1 4.08Å; M69-F104 HydrophobicContact CG-CG 4.17Å; M69-F104 HydrophobicContact SD-CD1 4.37Å; M69-F104 HydrophobicContact SD-CD2 4.12Å; M69-F104 HydrophobicContact SD-CE1 4.45Å; M69-F104 HydrophobicContact SD-CE2 4.24Å; M69-F104 HydrophobicContact SD-CG 4.21Å; M69-F104 HydrophobicContact SD-CZ 4.41Å; M69-W107 HydrophobicContact CB-CE3 4.4Å; M69-W107 HydrophobicContact CG-CE3 4.23Å; M69-V108 HydrophobicContact CB-CG2 4.16Å; M69-V108 HydrophobicContact CE-CG2 3.92Å; M69-V108 WeakPolarHBondContact O-CG2 3.12Å
70E98.4Very high97.9Very high75 Ų7549.8 Ų49.835%0.3527%0.268SS..THydrogen-bonded Turntrans-61.8-10.5175.6-69.1175.3170.200113.7R66 V68R66-E70 HydrophobicContact CG-CG 4.32Å; R66-E70 IonicContact CZ-OE1 2.98Å; R66-E70 IonicContact NE-OE1 3.95Å; R66-E70 PolarHBondContact NE-OE1 3.13Å; R66-E70 IonicContact NH2-OE1 2.76Å; R66-E70 PolarHBondContact NH2-OE1 3.11Å; R66-E70 WeakPolarHBondContact O-CG 3.39Å; R66-E70 PolarHBondContact O-N 2.77Å; V68-E70 VanDerWaalsContact C-N 3.32Å; V68-E70 PolarHBondContact O-N 2.79Å
71T98.4Very high98Very high89 Ų8949 Ų4955%0.54626%0.263SS..THydrogen-bonded Turntrans-97.2-2.2175.668.20000114.3W21 S67 V68 M69W21-T71 WeakPolarHBondContact CZ2-O 3.43Å; S67-T71 WeakPolarHBondContact O-CG2 3.16Å; V68-T71 PolarHBondContact O-N 3.23Å; V68-T71 PolarHBondContact O-OG1 2.88Å; M69-T71 PolarHBondContact O-N 2.78Å
72I98.6Very high98.2Very high5 Ų545.5 Ų45.53%0.02624%0.242CC..SBendtrans-62.2131.8178.3-162.2170.5000109.9V14 E16 C18 W21 M69 V108V14-I72 HydrophobicContact CB-CD1 3.98Å; V14-I72 HydrophobicContact CB-CG1 4.2Å; V14-I72 HydrophobicContact CB-CG2 4.36Å; V14-I72 HydrophobicContact CG1-CD1 4.25Å; V14-I72 HydrophobicContact CG1-CG1 4.4Å; V14-I72 HydrophobicContact CG1-CG2 3.66Å; V14-I72 HydrophobicContact CG2-CD1 3.94Å; E16-I72 HydrophobicContact CB-CD1 4.02Å; E16-I72 HydrophobicContact CB-CG1 3.95Å; C18-I72 HydrophobicContact CB-CD1 4.08Å; W21-I72 HydrophobicContact CB-CD1 3.96Å; W21-I72 HydrophobicContact CB-CG1 4.41Å; W21-I72 HydrophobicContact CD2-CB 4.25Å; W21-I72 HydrophobicContact CD2-CD1 4.4Å; W21-I72 HydrophobicContact CD2-CG1 3.88Å; W21-I72 HydrophobicContact CE3-CG1 4.32Å; W21-I72 HydrophobicContact CG-CB 4.19Å; W21-I72 HydrophobicContact CG-CD1 3.96Å; W21-I72 HydrophobicContact CG-CG1 3.9Å; M69-I72 HydrophobicContact CE-CD1 4.21Å; M69-I72 WeakPolarHBondContact O-CB 3.36Å; M69-I72 WeakPolarHBondContact O-CG2 3.48Å; M69-I72 PolarHBondContact O-N 3.05Å; I72-V108 HydrophobicContact CG2-CB 4.25Å; I72-V108 HydrophobicContact CG2-CG1 3.6Å; I72-V108 HydrophobicContact CG2-CG2 3.54Å
73P98.5Very high98.3Very high52 Ų5246.4 Ų46.434%0.33825%0.247SC..PPolyproline II helixtrans-69.6137.1179.928.2-34.7000110.4V14 D15 E16 W21V14-P73 WeakPolarHBondContact CA-O 3.39Å; D15-P73 HydrophobicContact CB-CG 4.41Å; D15-P73 PolarHBondContact N-O 3.13Å; E16-P73 HydrophobicContact CG-CG 3.74Å; W21-P73 HydrophobicContact CH2-CG 4.38Å; W21-P73 HydrophobicContact CZ3-CG 4.47Å
74F98.8Very high98.5Very high41 Ų4142.6 Ų42.618%0.1823%0.225CC..BIsolated β-bridgetrans-73.8149.6166.5-75.5-90.7000110.5V13 M78 P79 V108 L109 A112 L114V13-F74 HydrophobicContact CG1-CD1 4.09Å; V13-F74 HydrophobicContact CG1-CE1 3.99Å; F74-M78 HydrophobicContact CB-CB 4.35Å; F74-M78 HydrophobicContact CD1-CB 4.46Å; F74-M78 HydrophobicContact CD1-CG 4.22Å; F74-P79 HydrophobicContact CB-CG 3.99Å; F74-P79 HydrophobicContact CD2-CG 4.5Å; F74-P79 HydrophobicContact CG-CG 4.14Å; F74-V108 HydrophobicContact CE1-CG1 4.16Å; F74-V108 HydrophobicContact CE2-CG1 4.15Å; F74-V108 HydrophobicContact CZ-CG1 3.6Å; F74-L109 HydrophobicContact CE1-CD2 4.18Å; F74-A112 HydrophobicContact CE2-CB 3.55Å; F74-A112 HydrophobicContact CZ-CB 3.58Å; F74-L114 HydrophobicContact CD1-CD1 4.42Å; F74-L114 HydrophobicContact CE1-CD1 3.89Å; F74-L114 HydrophobicContact CE2-CD1 4.45Å; F74-L114 HydrophobicContact CZ-CD1 3.91Å
75T98.6Very high98.6Very high0 Ų036.3 Ų36.30%020%0.201CC..PPolyproline II helixtrans-55.3137.8167.7-64.40000109.7T12 V13 V14 G77 M78 W227T12-T75 VanDerWaalsContact O-CB 3.22Å; T12-T75 WeakPolarHBondContact O-CB 3.44Å; T12-T75 PolarHBondContact O-OG1 3.02Å; V13-T75 PolarHBondContact O-N 3.4Å; V14-T75 PolarHBondContact O-OG1 3.45Å; T75-G77 PolarHBondContact O-N 2.9Å; T75-M78 WeakPolarHBondContact O-CB 3.31Å; T75-M78 PolarHBondContact O-N 2.99Å; T75-W227 HydrophobicContact CG2-CH2 3.91Å; T75-W227 HydrophobicContact CG2-CZ3 3.56Å
76P98.5Very high98.6Very high73 Ų7338 Ų3847%0.47421%0.213SC..THydrogen-bonded Turntrans-51.8126.3-179.6-28.935.3000113M78 A230P76-M78 VanDerWaalsContact C-N 3.34Å; P76-A230 WeakPolarHBondContact O-CB 3.37Å; P76-A230 PolarHBondContact O-N 2.84Å
77G98.6Very high98.6Very high15 Ų1540.6 Ų40.616%0.15523%0.229CC..THydrogen-bonded Turntrans85.8-5.2-177.900000115.3T75 E80 L81 A230T75-G77 PolarHBondContact O-N 2.9Å; G77-E80 WeakPolarHBondContact CA-OE2 3.35Å; G77-E80 PolarHBondContact O-N 3.02Å; G77-L81 PolarHBondContact O-N 3.43Å; G77-A230 VanDerWaalsContact C-CB 3.49Å
78M98.8Very high98.6Very high0 Ų039.4 Ų39.40%022%0.218CC..Hα-helixtrans-70-40.2-174.9-17260.671.100112.9F7 T12 V13 F74 T75 P76 E80 L81 L82 A230 I233F7-M78 HydrophobicContact CD1-CE 4.41Å; F7-M78 HydrophobicContact CE1-CE 4.15Å; F7-M78 HydrophobicContact CE1-SD 4.41Å; T12-M78 WeakPolarHBondContact O-CE 3.3Å; V13-M78 HydrophobicContact CB-CG 4.43Å; V13-M78 HydrophobicContact CG1-CG 4.03Å; V13-M78 HydrophobicContact CG2-CE 4.36Å; V13-M78 HydrophobicContact CG2-SD 4.38Å; V13-M78 WeakPolarHBondContact O-CG 3.27Å; F74-M78 HydrophobicContact CB-CB 4.35Å; F74-M78 HydrophobicContact CD1-CB 4.46Å; F74-M78 HydrophobicContact CD1-CG 4.22Å; T75-M78 WeakPolarHBondContact O-CB 3.31Å; T75-M78 PolarHBondContact O-N 2.99Å; P76-M78 VanDerWaalsContact C-N 3.34Å; M78-E80 VanDerWaalsContact C-N 3.28Å; M78-E80 PolarHBondContact O-N 2.99Å; M78-L81 HydrophobicContact CE-CD2 4.3Å; M78-L81 PolarHBondContact O-N 2.77Å; M78-L81 HydrophobicContact SD-CB 4.43Å; M78-L81 HydrophobicContact SD-CD2 3.86Å; M78-L81 HydrophobicContact SD-CG 4.38Å; M78-L82 HydrophobicContact CG-CD1 4.02Å; M78-L82 HydrophobicContact CG-CG 4.18Å; M78-L82 WeakPolarHBondContact O-CG 3.31Å; M78-L82 PolarHBondContact O-N 2.89Å; M78-L82 HydrophobicContact SD-CD1 4.35Å; M78-L82 HydrophobicContact SD-CD2 4.39Å; M78-L82 HydrophobicContact SD-CG 4Å; M78-A230 HydrophobicContact CB-CB 4Å; M78-A230 HydrophobicContact CE-CB 3.75Å; M78-A230 HydrophobicContact SD-CB 4.2Å; M78-I233 HydrophobicContact CE-CD1 4.46Å
79P98.8Very high98.6Very high43 Ų4341.4 Ų41.428%0.27923%0.226SC..Hα-helixtrans-57.1-41.2173.1-26.837.5000112.8F74 T83 L114F74-P79 HydrophobicContact CB-CG 3.99Å; F74-P79 HydrophobicContact CD2-CG 4.5Å; F74-P79 HydrophobicContact CG-CG 4.14Å; P79-T83 VanDerWaalsContact O-CB 3.27Å; P79-T83 WeakPolarHBondContact O-CB 3.37Å; P79-T83 PolarHBondContact O-N 2.95Å; P79-T83 PolarHBondContact O-OG1 2.78Å; P79-L114 HydrophobicContact CB-CD1 4.13Å; P79-L114 HydrophobicContact CG-CD1 4.46Å
80E98.8Very high98.5Very high118 Ų11846 Ų4655%0.55126%0.259SS*.Hα-helixtrans-65.9-43.2177.3-64.978.2-176.200111.6G77 M78 T83 F84G77-E80 WeakPolarHBondContact CA-OE2 3.35Å; G77-E80 PolarHBondContact O-N 3.02Å; M78-E80 VanDerWaalsContact C-N 3.28Å; M78-E80 PolarHBondContact O-N 2.99Å; E80-T83 PolarHBondContact O-N 3.12Å; E80-F84 WeakPolarHBondContact O-CB 3.46Å; E80-F84 PolarHBondContact O-N 3.31Å
81L98.9Very high98.4Very high0 Ų046 Ų460%026%0.26CS..Hα-helixtrans-61.8-50.1175.817256.8000112.1F7 G77 M78 T83 F84 I85 A230 I233 L234 L237F7-L81 HydrophobicContact CE1-CD2 4.03Å; F7-L81 HydrophobicContact CZ-CD2 3.79Å; F7-L81 HydrophobicContact CZ-CG 4.36Å; G77-L81 PolarHBondContact O-N 3.43Å; M78-L81 HydrophobicContact CE-CD2 4.3Å; M78-L81 PolarHBondContact O-N 2.77Å; M78-L81 HydrophobicContact SD-CB 4.43Å; M78-L81 HydrophobicContact SD-CD2 3.86Å; M78-L81 HydrophobicContact SD-CG 4.38Å; L81-T83 VanDerWaalsContact C-N 3.33Å; L81-T83 PolarHBondContact O-N 2.67Å; L81-F84 WeakPolarHBondContact O-CB 3.47Å; L81-F84 PolarHBondContact O-N 3.26Å; L81-I85 HydrophobicContact CD1-CD1 3.97Å; L81-I85 HydrophobicContact CD1-CG1 4.3Å; L81-I85 HydrophobicContact CG-CD1 4.16Å; L81-I85 WeakPolarHBondContact O-CG1 3.48Å; L81-I85 PolarHBondContact O-N 2.87Å; L81-A230 HydrophobicContact CB-CB 4.45Å; L81-A230 HydrophobicContact CD2-CB 4.03Å; L81-I233 HydrophobicContact CD2-CB 3.79Å; L81-I233 HydrophobicContact CD2-CD1 4.23Å; L81-I233 HydrophobicContact CD2-CG2 3.66Å; L81-L234 HydrophobicContact CB-CB 4.4Å; L81-L234 HydrophobicContact CD1-CB 3.97Å; L81-L234 HydrophobicContact CD1-CD1 3.87Å; L81-L237 HydrophobicContact CD1-CD2 4.11Å
82L98.9Very high98.4Very high2 Ų241.8 Ų41.81%0.0123%0.234CC..Hα-helixtrans-66-36.9179.8-68.5179.8000111.6F7 V13 M78 I85 S86 L109 L114 A117F7-L82 HydrophobicContact CE2-CD2 4.44Å; V13-L82 HydrophobicContact CG1-CD1 4.2Å; M78-L82 HydrophobicContact CG-CD1 4.02Å; M78-L82 HydrophobicContact CG-CG 4.18Å; M78-L82 WeakPolarHBondContact O-CG 3.31Å; M78-L82 PolarHBondContact O-N 2.89Å; M78-L82 HydrophobicContact SD-CD1 4.35Å; M78-L82 HydrophobicContact SD-CD2 4.39Å; M78-L82 HydrophobicContact SD-CG 4Å; L82-I85 HydrophobicContact CD2-CD1 4.31Å; L82-I85 PolarHBondContact O-N 2.82Å; L82-S86 PolarHBondContact O-N 3.35Å; L82-L109 HydrophobicContact CD1-CD2 3.96Å; L82-L114 HydrophobicContact CB-CB 4.46Å; L82-L114 HydrophobicContact CB-CD2 4.15Å; L82-L114 HydrophobicContact CD1-CB 4.25Å; L82-L114 HydrophobicContact CD1-CD1 4.1Å; L82-A117 HydrophobicContact CB-CB 3.81Å; L82-A117 HydrophobicContact CD2-CB 4.05Å; L82-A117 HydrophobicContact CG-CB 4.47Å; L82-A117 WeakPolarHBondContact O-CB 3.41Å
83T98.8Very high98.4Very high53 Ų5342 Ų4233%0.32523%0.234SC..Hα-helixtrans-60-48.9172.6-59.60000110.5P79 E80 L81 I85 S86 E87P79-T83 VanDerWaalsContact O-CB 3.27Å; P79-T83 WeakPolarHBondContact O-CB 3.37Å; P79-T83 PolarHBondContact O-N 2.95Å; P79-T83 PolarHBondContact O-OG1 2.78Å; E80-T83 PolarHBondContact O-N 3.12Å; L81-T83 VanDerWaalsContact C-N 3.33Å; L81-T83 PolarHBondContact O-N 2.67Å; T83-I85 VanDerWaalsContact C-N 3.33Å; T83-I85 PolarHBondContact O-N 2.97Å; T83-S86 WeakPolarHBondContact O-CB 3.48Å; T83-S86 PolarHBondContact O-N 3Å; T83-S86 VanDerWaalsContact O-N 3.08Å; T83-S86 PolarHBondContact O-OG 3.38Å; T83-E87 WeakPolarHBondContact O-CG 3.23Å; T83-E87 PolarHBondContact O-N 2.91Å
84F98.8Very high98.4Very high36 Ų3639.5 Ų39.516%0.15822%0.218CC..Hα-helixtrans-57.6-44.1176.9178.3-93.2000112.3E80 L81 S86 E87 N88 L234 L237 K238 L241E80-F84 WeakPolarHBondContact O-CB 3.46Å; E80-F84 PolarHBondContact O-N 3.31Å; L81-F84 WeakPolarHBondContact O-CB 3.47Å; L81-F84 PolarHBondContact O-N 3.26Å; F84-S86 VanDerWaalsContact C-N 3.33Å; F84-S86 PolarHBondContact O-N 3.44Å; F84-E87 PolarHBondContact O-N 3.42Å; F84-N88 WeakPolarHBondContact CE2-ND2 3.29Å; F84-N88 WeakPolarHBondContact O-CB 3.49Å; F84-N88 PolarHBondContact O-N 3.23Å; F84-N88 PolarHBondContact O-ND2 2.85Å; F84-L234 HydrophobicContact CB-CD1 3.72Å; F84-L234 HydrophobicContact CD1-CD1 3.57Å; F84-L234 HydrophobicContact CD2-CD1 4.23Å; F84-L234 HydrophobicContact CE1-CD1 4.24Å; F84-L234 HydrophobicContact CG-CD1 3.56Å; F84-L237 HydrophobicContact CD1-CD2 4.02Å; F84-L237 HydrophobicContact CE1-CD2 4.01Å; F84-L237 HydrophobicContact CE1-CG 4.25Å; F84-K238 HydrophobicContact CE1-CG 4.15Å; F84-K238 HydrophobicContact CE2-CD 4.42Å; F84-K238 HydrophobicContact CE2-CG 4.08Å; F84-K238 HydrophobicContact CZ-CG 3.7Å; F84-L241 HydrophobicContact CE1-CD1 3.86Å; F84-L241 HydrophobicContact CZ-CD1 3.94Å
85I98.8Very high98.5Very high0 Ų037.5 Ų37.50%021%0.21CC..Hα-helixtrans-59.4-45.3175.5-70168.1000110.6M5 F7 L81 L82 T83 E87 N88 K89 V92 C94 A117 L237M5-I85 HydrophobicContact CB-CD1 4.43Å; M5-I85 HydrophobicContact CG-CD1 4.06Å; F7-I85 HydrophobicContact CE2-CD1 3.9Å; F7-I85 HydrophobicContact CZ-CD1 4.19Å; L81-I85 HydrophobicContact CD1-CD1 3.97Å; L81-I85 HydrophobicContact CD1-CG1 4.3Å; L81-I85 HydrophobicContact CG-CD1 4.16Å; L81-I85 WeakPolarHBondContact O-CG1 3.48Å; L81-I85 PolarHBondContact O-N 2.87Å; L82-I85 HydrophobicContact CD2-CD1 4.31Å; L82-I85 PolarHBondContact O-N 2.82Å; T83-I85 VanDerWaalsContact C-N 3.33Å; T83-I85 PolarHBondContact O-N 2.97Å; I85-E87 PolarHBondContact O-N 2.91Å; I85-N88 CarbonylContact O-C 3.53Å; I85-N88 PolarHBondContact O-N 3.01Å; I85-N88 VanDerWaalsContact O-N 3.08Å; I85-K89 PolarHBondContact O-N 3.44Å; I85-V92 HydrophobicContact CG1-CG1 4.26Å; I85-V92 HydrophobicContact CG2-CG1 4.21Å; I85-C94 HydrophobicContact CG2-CB 3.65Å; I85-A117 HydrophobicContact CG2-CB 4.4Å; I85-A117 WeakPolarHBondContact CG2-O 3.31Å; I85-L237 HydrophobicContact CD1-CD2 4.49Å; I85-L237 HydrophobicContact CG1-CD2 3.98Å
86S98.5Very high98.5Very high44 Ų4437.6 Ų37.631%0.30821%0.21SC..Hα-helixtrans-62.6-31.1-179.979.70000113.4L82 T83 F84L82-S86 PolarHBondContact O-N 3.35Å; T83-S86 WeakPolarHBondContact O-CB 3.48Å; T83-S86 PolarHBondContact O-N 3Å; T83-S86 VanDerWaalsContact O-N 3.08Å; T83-S86 PolarHBondContact O-OG 3.38Å; F84-S86 VanDerWaalsContact C-N 3.33Å; F84-S86 PolarHBondContact O-N 3.44Å
87E98.4Very high98.5Very high140 Ų14034.1 Ų34.165%0.65419%0.188SC*.Hα-helixtrans-80.9-15.8177.2-68176.316300113T83 F84 I85T83-E87 WeakPolarHBondContact O-CG 3.23Å; T83-E87 PolarHBondContact O-N 2.91Å; F84-E87 PolarHBondContact O-N 3.42Å; I85-E87 PolarHBondContact O-N 2.91Å
88N98.1Very high98.4Very high32 Ų3233.4 Ų33.417%0.17118%0.18CC..THydrogen-bonded Turntrans-120.528.3-172.9-68.7-86.9000113.3F84 I85 S90 M91 V92F84-N88 WeakPolarHBondContact CE2-ND2 3.29Å; F84-N88 WeakPolarHBondContact O-CB 3.49Å; F84-N88 PolarHBondContact O-N 3.23Å; F84-N88 PolarHBondContact O-ND2 2.85Å; I85-N88 CarbonylContact O-C 3.53Å; I85-N88 PolarHBondContact O-N 3.01Å; I85-N88 VanDerWaalsContact O-N 3.08Å; N88-S90 PolarHBondContact O-N 3.11Å; N88-M91 HydrophobicContact CB-CE 4.03Å; N88-M91 PolarHBondContact O-N 3.22Å; N88-M91 WeakPolarHBondContact OD1-CE 3.41Å; N88-V92 HydrophobicContact CB-CG2 4.49Å; N88-V92 PolarHBondContact O-N 2.63Å
89K97.6Very high98.2Very high51 Ų5134.5 Ų34.522%0.22219%0.186CC..THydrogen-bonded Turntrans-58.2-18.9-178.7-74-61-150.8175.30116.1I85 M91 V92 K116 A117 D119I85-K89 PolarHBondContact O-N 3.44Å; K89-M91 PolarHBondContact O-N 3.07Å; K89-V92 WeakPolarHBondContact CA-O 3.29Å; K89-V92 WeakPolarHBondContact CD-O 3.48Å; K89-K116 WeakPolarHBondContact CE-O 3.34Å; K89-A117 PolarHBondContact NZ-O 2.65Å; K89-D119 WeakPolarHBondContact CE-OD1 3.35Å; K89-D119 IonicContact NZ-OD1 2.74Å; K89-D119 PolarHBondContact NZ-OD1 2.81Å; K89-D119 IonicContact NZ-OD2 2.74Å; K89-D119 PolarHBondContact NZ-OD2 2.79Å
90S96.6Very high98.1Very high98 Ų9832.5 Ų32.569%0.68517%0.173SC*.THydrogen-bonded Turntrans-69.3-23.3172.453.60000112.7N88N88-S90 PolarHBondContact O-N 3.11Å
91M97.5Very high98Very high75 Ų7527 Ų2737%0.36915%0.147SC..THydrogen-bonded Turntrans-117.2-23.5-175.3-59.7179.3-67.300112.7K2 I3 N88 K89 L241K2-M91 VanDerWaalsContact CA-O 3.31Å; K2-M91 WeakPolarHBondContact CA-O 3.36Å; I3-M91 PolarHBondContact N-O 2.76Å; N88-M91 HydrophobicContact CB-CE 4.03Å; N88-M91 PolarHBondContact O-N 3.22Å; N88-M91 WeakPolarHBondContact OD1-CE 3.41Å; K89-M91 PolarHBondContact O-N 3.07Å; M91-L241 HydrophobicContact CB-CD2 3.84Å; M91-L241 HydrophobicContact SD-CD2 4.48Å
92V98.4Very high97.9Very high0 Ų028.9 Ų28.90%016%0.159CC..EExtended strand (participates in β ladder)trans-129.4120.1-173.9-171.70000110.9I3 M5 I85 N88 K89 L237 L241I3-V92 WeakPolarHBondContact O-CA 3.46Å; M5-V92 HydrophobicContact CG-CG1 3.79Å; I85-V92 HydrophobicContact CG1-CG1 4.26Å; I85-V92 HydrophobicContact CG2-CG1 4.21Å; N88-V92 HydrophobicContact CB-CG2 4.49Å; N88-V92 PolarHBondContact O-N 2.63Å; K89-V92 WeakPolarHBondContact CA-O 3.29Å; K89-V92 WeakPolarHBondContact CD-O 3.48Å; V92-L237 HydrophobicContact CG1-CD1 4.45Å; V92-L237 HydrophobicContact CG1-CD2 4.48Å; V92-L237 HydrophobicContact CG2-CD1 4.15Å; V92-L241 HydrophobicContact CG2-CD1 4Å; V92-L241 HydrophobicContact CG2-CD2 4.06Å
93D98.6Very high97.9Very high8 Ų830 Ų304%0.04317%0.165CC..EExtended strand (participates in β ladder)trans-95.8153.3163.1-69-6.6000109.1K2 I3 L4 M5 D119 Y171K2-D93 WeakPolarHBondContact CD-OD1 3.35Å; K2-D93 IonicContact NZ-OD1 3.38Å; K2-D93 PolarHBondContact NZ-OD1 3.39Å; K2-D93 IonicContact NZ-OD2 2.81Å; K2-D93 PolarHBondContact NZ-OD2 2.98Å; I3-D93 PolarHBondContact O-N 3.39Å; L4-D93 HydrophobicContact CD1-CB 4.04Å; M5-D93 PolarHBondContact N-O 2.89Å; D93-D119 WeakPolarHBondContact CA-OD2 3.46Å; D93-Y171 HydrophobicContact CB-CE1 3.85Å; D93-Y171 VanDerWaalsContact OD2-CE1 3.29Å; D93-Y171 WeakPolarHBondContact OD2-CE1 3.45Å; D93-Y171 PolarHBondContact OD2-OH 3.04Å
94C98.8Very high97.9Very high0 Ų027.5 Ų27.50%015%0.149CC..EExtended strand (participates in β ladder)trans-143.8127.5-177.1173.20000111.1M5 I85 A117 D119M5-C94 HydrophobicContact CB-CB 4.16Å; M5-C94 CarbonylContact O-C 3.51Å; M5-C94 VanDerWaalsContact O-CA 3.29Å; M5-C94 WeakPolarHBondContact O-CA 3.41Å; I85-C94 HydrophobicContact CG2-CB 3.65Å; C94-A117 VanDerWaalsContact CB-O 3.26Å; C94-A117 WeakPolarHBondContact CB-O 3.32Å; C94-D119 PolarHBondContact N-OD2 3.43Å; C94-D119 WeakPolarHBondContact O-CB 3.45Å; C94-D119 PolarHBondContact O-N 2.87Å
95I98.9Very high97.9Very high0 Ų025.8 Ų25.80%014%0.142CC..EExtended strand (participates in β ladder)trans-124.6156.1174.464.4172.6000110.9L4 M5 V6 F7 V97 Q120 Y122 Y160L4-I95 HydrophobicContact CD1-CG1 4.24Å; L4-I95 HydrophobicContact CD1-CG2 4.33Å; M5-I95 PolarHBondContact O-N 3.01Å; V6-I95 WeakPolarHBondContact CA-O 3.15Å; V6-I95 HydrophobicContact CB-CG1 4.24Å; V6-I95 HydrophobicContact CG1-CD1 4.2Å; V6-I95 HydrophobicContact CG1-CG1 4.05Å; V6-I95 HydrophobicContact CG2-CD1 4.06Å; V6-I95 HydrophobicContact CG2-CG1 3.93Å; F7-I95 PolarHBondContact N-O 3.04Å; I95-V97 HydrophobicContact CD1-CG2 3.96Å; I95-V97 HydrophobicContact CG1-CG2 4.33Å; I95-Q120 VanDerWaalsContact CA-O 3.29Å; I95-Q120 WeakPolarHBondContact CA-O 3.46Å; I95-Q120 HydrophobicContact CG2-CB 4.1Å; I95-Y122 HydrophobicContact CD1-CE2 4.38Å; I95-Y160 HydrophobicContact CD1-CD1 3.89Å; I95-Y160 HydrophobicContact CD1-CD2 4.42Å; I95-Y160 HydrophobicContact CD1-CE1 4.08Å; I95-Y160 HydrophobicContact CD1-CG 4.05Å; I95-Y160 HydrophobicContact CG2-CE1 4.28Å; I95-Y160 HydrophobicContact CG2-CE2 3.86Å
96I98.9Very high97.9Very high2 Ų229.1 Ų29.11%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-109132.8169.4-66.6174.5000108.8F7 F9 I105 L109 V118 Q120 V121 Y122F7-I96 HydrophobicContact CB-CG1 4.41Å; F7-I96 CarbonylContact O-C 3.56Å; F7-I96 WeakPolarHBondContact O-CA 3.41Å; F9-I96 HydrophobicContact CB-CG2 4.27Å; F9-I96 HydrophobicContact CD2-CD1 4.16Å; I96-I105 HydrophobicContact CD1-CG2 3.76Å; I96-I105 HydrophobicContact CG2-CD1 4.03Å; I96-I105 HydrophobicContact CG2-CG2 4.46Å; I96-L109 HydrophobicContact CD1-CD1 3.64Å; I96-V118 HydrophobicContact CD1-CG1 4.09Å; I96-V118 HydrophobicContact CD1-CG2 3.8Å; I96-V118 HydrophobicContact CG1-CG1 4Å; I96-V118 HydrophobicContact CG1-CG2 4.22Å; I96-Q120 PolarHBondContact N-O 2.88Å; I96-V121 HydrophobicContact CB-CG1 4.46Å; I96-V121 HydrophobicContact CB-CG2 4.3Å; I96-V121 HydrophobicContact CG2-CG1 4.48Å; I96-Y122 PolarHBondContact O-N 3.05Å
97V98.6Very high97.9Very high0 Ų028 Ų280%015%0.147CC..EExtended strand (participates in β ladder)trans-129.199.2175.3-175.80000107.8V6 F7 I95 Y122 M151 K153 V156V6-V97 HydrophobicContact CG1-CB 4.23Å; V6-V97 HydrophobicContact CG1-CG2 3.75Å; F7-V97 PolarHBondContact O-N 3.08Å; I95-V97 HydrophobicContact CD1-CG2 3.96Å; I95-V97 HydrophobicContact CG1-CG2 4.33Å; V97-Y122 WeakPolarHBondContact CA-O 3.14Å; V97-Y122 HydrophobicContact CG2-CD2 4.26Å; V97-M151 HydrophobicContact CG1-CE 3.64Å; V97-K153 HydrophobicContact CG1-CB 3.72Å; V97-K153 HydrophobicContact CG1-CD 4.12Å; V97-K153 HydrophobicContact CG1-CG 3.81Å; V97-K153 WeakPolarHBondContact O-CD 3.35Å; V97-K153 WeakPolarHBondContact O-CE 3.4Å; V97-K153 PolarHBondContact O-NZ 3.1Å; V97-K153 VanDerWaalsContact O-NZ 3.17Å; V97-V156 HydrophobicContact CG1-CB 4.1Å; V97-V156 HydrophobicContact CG1-CG1 3.93Å; V97-V156 HydrophobicContact CG2-CG1 4.03Å
98S97.6Very high97.9Very high0 Ų021.4 Ų21.40%012%0.116CC..EExtended strand (participates in β ladder)trans-140.3148.1-167.5-168.80000114.5D8 F9 A100 Y122 S123D8-S98 WeakPolarHBondContact OD1-CA 3.22Å; D8-S98 VanDerWaalsContact OD1-CB 3.32Å; D8-S98 WeakPolarHBondContact OD1-CB 3.06Å; D8-S98 PolarHBondContact OD1-OG 2.71Å; F9-S98 VanDerWaalsContact CB-OG 3.25Å; F9-S98 WeakPolarHBondContact CB-OG 3.16Å; F9-S98 PolarHBondContact N-OG 2.8Å; S98-A100 PolarHBondContact O-N 3.01Å; S98-A100 PolarHBondContact OG-N 3.39Å; S98-Y122 PolarHBondContact N-O 3.3Å; S98-S123 VanDerWaalsContact O-CA 3.27Å; S98-S123 WeakPolarHBondContact O-CA 3.5Å; S98-S123 VanDerWaalsContact O-CB 3.31Å; S98-S123 WeakPolarHBondContact O-CB 3.19Å; S98-S123 PolarHBondContact O-OG 3.01Å
99D94.7Very high97.9Very high22 Ų2219.9 Ų19.912%0.11811%0.108CC..EExtended strand (participates in β ladder)trans-81.11.8173.4-74.5-81.4000113.8N124 N150 K153 N182D99-N124 PolarHBondContact O-ND2 3.06Å; D99-N150 PolarHBondContact OD1-ND2 3.11Å; D99-K153 WeakPolarHBondContact OD2-CE 3.46Å; D99-K153 IonicContact OD2-NZ 2.78Å; D99-N182 PolarHBondContact OD2-ND2 3.22Å
100A95.9Very high97.9Very high2 Ų220.9 Ų20.92%0.01711%0.113CC..EExtended strand (participates in β ladder)trans-64.8-145.9168.400000111.5F9 C18 S98 I105 S123 N124F9-A100 HydrophobicContact CD1-CB 4.32Å; C18-A100 WeakPolarHBondContact SG-CB 3.49Å; S98-A100 PolarHBondContact O-N 3.01Å; S98-A100 PolarHBondContact OG-N 3.39Å; A100-I105 HydrophobicContact CB-CD1 4.2Å; A100-I105 HydrophobicContact CB-CG1 4.29Å; A100-S123 PolarHBondContact O-OG 2.87Å; A100-N124 VanDerWaalsContact O-CB 3.28Å; A100-N124 WeakPolarHBondContact O-CB 3.1Å; A100-N124 PolarHBondContact O-ND2 3.12Å
101N96.9Very high98Very high1 Ų118.3 Ų18.31%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-136.6157.3169.172.876.8000113.1M103 F104 I105 S123 N124 A126 L136N101-M103 VanDerWaalsContact C-N 3.34Å; N101-M103 PolarHBondContact O-N 3.27Å; N101-M103 PolarHBondContact OD1-N 3.26Å; N101-F104 WeakPolarHBondContact ND2-CD2 3.45Å; N101-F104 VanDerWaalsContact ND2-CE2 3.27Å; N101-F104 WeakPolarHBondContact ND2-CE2 3.25Å; N101-F104 WeakPolarHBondContact ND2-CG 3.37Å; N101-F104 PolarHBondContact O-N 2.98Å; N101-F104 PolarHBondContact OD1-N 3.39Å; N101-I105 WeakPolarHBondContact O-CG1 3.43Å; N101-I105 PolarHBondContact O-N 3.17Å; N101-S123 PolarHBondContact N-OG 2.88Å; N101-N124 VanDerWaalsContact CA-O 3.22Å; N101-N124 WeakPolarHBondContact CA-O 3.27Å; N101-N124 WeakPolarHBondContact CB-O 3.23Å; N101-A126 HydrophobicContact CB-CB 3.88Å; N101-A126 WeakPolarHBondContact OD1-CB 3.45Å; N101-L136 HydrophobicContact CB-CD2 3.74Å
102T97.7Very high98Very high41 Ų4117 Ų1725%0.25210%0.104SC..Hα-helixtrans-59.4-40.5-17353.40000113.2E106 N124 A126T102-E106 VanDerWaalsContact O-CB 3.3Å; T102-E106 WeakPolarHBondContact O-CB 3.2Å; T102-E106 PolarHBondContact O-N 3.42Å; T102-N124 PolarHBondContact N-O 3.02Å; T102-A126 PolarHBondContact OG1-N 2.86Å
103M97.9Very high98Very high25 Ų2519.9 Ų19.912%0.12313%0.133CC..Hα-helixtrans-68.3-41.2-178.5-70.4-17680.700112.1N101 E106 W107 A126 I128 M134N101-M103 VanDerWaalsContact C-N 3.34Å; N101-M103 PolarHBondContact O-N 3.27Å; N101-M103 PolarHBondContact OD1-N 3.26Å; M103-E106 PolarHBondContact O-N 3.38Å; M103-W107 HydrophobicContact CE-CH2 3.72Å; M103-W107 HydrophobicContact CE-CZ2 3.21Å; M103-W107 WeakPolarHBondContact O-CB 3.33Å; M103-W107 PolarHBondContact O-N 2.82Å; M103-A126 HydrophobicContact CB-CB 3.96Å; M103-A126 HydrophobicContact CG-CB 3.66Å; M103-A126 WeakPolarHBondContact CG-O 3.27Å; M103-A126 VanDerWaalsContact SD-C 3.56Å; M103-A126 HydrophobicContact SD-CB 3.86Å; M103-I128 HydrophobicContact CE-CD1 3.79Å; M103-I128 HydrophobicContact CE-CG1 3.75Å; M103-I128 HydrophobicContact SD-CD1 4.16Å; M103-I128 HydrophobicContact SD-CG1 4.42Å; M103-M134 HydrophobicContact CB-CE 4.29Å; M103-M134 HydrophobicContact CE-CE 4.2Å; M103-M134 HydrophobicContact SD-CE 3.87Å
104F98.3Very high98.1Very high0 Ų020.3 Ų20.30%014%0.135CC..Hα-helixtrans-65.2-46.5178.6-74.23.3000111.7C18 V22 M52 V65 M69 N101 E106 W107 V108 M134C18-F104 HydrophobicContact CB-CD2 4.05Å; V22-F104 HydrophobicContact CB-CE2 3.99Å; V22-F104 HydrophobicContact CB-CZ 3.92Å; V22-F104 HydrophobicContact CG2-CE1 4.27Å; V22-F104 HydrophobicContact CG2-CE2 4.09Å; V22-F104 HydrophobicContact CG2-CZ 3.48Å; V22-F104 VanDerWaalsContact CG2-CZ 3.48Å; M52-F104 HydrophobicContact CE-CE1 4.46Å; M52-F104 HydrophobicContact CE-CE2 3.56Å; M52-F104 HydrophobicContact CE-CZ 3.32Å; M52-F104 HydrophobicContact SD-CZ 4.06Å; V65-F104 HydrophobicContact CG1-CE1 3.88Å; V65-F104 HydrophobicContact CG1-CZ 4.3Å; M69-F104 HydrophobicContact CE-CB 4.15Å; M69-F104 HydrophobicContact CE-CD2 4.07Å; M69-F104 HydrophobicContact CE-CG 4.06Å; M69-F104 HydrophobicContact CG-CD1 3.87Å; M69-F104 HydrophobicContact CG-CE1 4.08Å; M69-F104 HydrophobicContact CG-CG 4.17Å; M69-F104 HydrophobicContact SD-CD1 4.37Å; M69-F104 HydrophobicContact SD-CD2 4.12Å; M69-F104 HydrophobicContact SD-CE1 4.45Å; M69-F104 HydrophobicContact SD-CE2 4.24Å; M69-F104 HydrophobicContact SD-CG 4.21Å; M69-F104 HydrophobicContact SD-CZ 4.41Å; N101-F104 WeakPolarHBondContact ND2-CD2 3.45Å; N101-F104 VanDerWaalsContact ND2-CE2 3.27Å; N101-F104 WeakPolarHBondContact ND2-CE2 3.25Å; N101-F104 WeakPolarHBondContact ND2-CG 3.37Å; N101-F104 PolarHBondContact O-N 2.98Å; N101-F104 PolarHBondContact OD1-N 3.39Å; F104-E106 VanDerWaalsContact C-N 3.3Å; F104-E106 PolarHBondContact O-N 3.23Å; F104-W107 AromaticContact CD1-CE3 3.93Å; F104-W107 HydrophobicContact CD1-CE3 3.93Å; F104-W107 AromaticContact CD1-CZ3 3.98Å; F104-W107 HydrophobicContact CD1-CZ3 3.98Å; F104-W107 HydrophobicContact CE1-CE3 4.34Å; F104-W107 AromaticContact CE1-CZ3 3.96Å; F104-W107 HydrophobicContact CE1-CZ3 3.96Å; F104-W107 PolarHBondContact O-N 2.82Å; F104-V108 WeakPolarHBondContact O-CB 3.47Å; F104-V108 WeakPolarHBondContact O-CG2 3.47Å; F104-V108 PolarHBondContact O-N 3.48Å; F104-M134 HydrophobicContact CD1-CE 4.23Å; F104-M134 HydrophobicContact CD1-SD 4.31Å; F104-M134 HydrophobicContact CE1-CE 3.6Å; F104-M134 HydrophobicContact CE1-SD 3.48Å; F104-M134 WeakPolarHBondContact CE1-SD 3.17Å; F104-M134 HydrophobicContact CZ-CE 4.5Å; F104-M134 HydrophobicContact CZ-SD 3.86Å
105I98.7Very high98Very high0 Ų024.6 Ų24.60%015%0.151CC..Hα-helixtrans-58.3-47176.8-64.6165.5000110F9 I96 A100 N101 L109 V121F9-I105 HydrophobicContact CB-CD1 4.48Å; F9-I105 HydrophobicContact CB-CG1 4.34Å; F9-I105 HydrophobicContact CD1-CG1 3.78Å; F9-I105 HydrophobicContact CD2-CG1 4.04Å; F9-I105 HydrophobicContact CD2-CG2 4.2Å; F9-I105 HydrophobicContact CE1-CG1 4.01Å; F9-I105 HydrophobicContact CE2-CB 4.43Å; F9-I105 HydrophobicContact CE2-CG1 4.27Å; F9-I105 HydrophobicContact CE2-CG2 4.08Å; F9-I105 HydrophobicContact CG-CD1 4.43Å; F9-I105 HydrophobicContact CG-CG1 3.78Å; F9-I105 HydrophobicContact CZ-CB 4.44Å; F9-I105 HydrophobicContact CZ-CG1 4.25Å; I96-I105 HydrophobicContact CD1-CG2 3.76Å; I96-I105 HydrophobicContact CG2-CD1 4.03Å; I96-I105 HydrophobicContact CG2-CG2 4.46Å; A100-I105 HydrophobicContact CB-CD1 4.2Å; A100-I105 HydrophobicContact CB-CG1 4.29Å; N101-I105 WeakPolarHBondContact O-CG1 3.43Å; N101-I105 PolarHBondContact O-N 3.17Å; I105-L109 HydrophobicContact CG2-CD1 3.76Å; I105-L109 WeakPolarHBondContact O-CB 3.5Å; I105-L109 VanDerWaalsContact O-CG 3.31Å; I105-L109 WeakPolarHBondContact O-CG 3.32Å; I105-L109 PolarHBondContact O-N 2.89Å; I105-L109 VanDerWaalsContact O-N 3.13Å; I105-V121 HydrophobicContact CB-CG1 4.31Å; I105-V121 HydrophobicContact CD1-CG1 3.68Å; I105-V121 HydrophobicContact CG2-CG1 3.96Å; I105-V121 HydrophobicContact CG2-CG2 3.93Å
106E98.4Very high98Very high71 Ų7133 Ų3333%0.33219%0.188SC..Hα-helixtrans-59.4-52.4178.4-177.2178.7-173.200112T102 M103 F104 V108 L109 Q110 W115T102-E106 VanDerWaalsContact O-CB 3.3Å; T102-E106 WeakPolarHBondContact O-CB 3.2Å; T102-E106 PolarHBondContact O-N 3.42Å; M103-E106 PolarHBondContact O-N 3.38Å; F104-E106 VanDerWaalsContact C-N 3.3Å; F104-E106 PolarHBondContact O-N 3.23Å; E106-V108 PolarHBondContact O-N 3.24Å; E106-L109 PolarHBondContact O-N 2.81Å; E106-Q110 HydrophobicContact CG-CG 4.15Å; E106-Q110 VanDerWaalsContact O-CB 3.25Å; E106-Q110 WeakPolarHBondContact O-CB 3.23Å; E106-Q110 VanDerWaalsContact O-CG 3.27Å; E106-Q110 WeakPolarHBondContact O-CG 3.45Å; E106-Q110 PolarHBondContact O-N 3.47Å; E106-Q110 PolarHBondContact OE1-NE2 3.46Å; E106-W115 HydrophobicContact CB-CH2 4.26Å; E106-W115 HydrophobicContact CB-CZ3 4.09Å; E106-W115 HydrophobicContact CG-CH2 4.3Å; E106-W115 HydrophobicContact CG-CZ3 4.29Å
107W98.6Very high98Very high20 Ų2032.9 Ų32.98%0.07619%0.188CC..Hα-helixtrans-60.7-45.8-177.9-69.7-16.1000112.9V65 R66 M69 M103 F104 G111 M134V65-W107 HydrophobicContact CB-CZ3 4.14Å; V65-W107 HydrophobicContact CG1-CZ3 3.83Å; R66-W107 HydrophobicContact CB-CD2 3.71Å; R66-W107 HydrophobicContact CB-CE3 3.8Å; R66-W107 HydrophobicContact CB-CG 4.18Å; R66-W107 HydrophobicContact CB-CH2 4.23Å; R66-W107 HydrophobicContact CB-CZ2 4.17Å; R66-W107 HydrophobicContact CB-CZ3 4.07Å; R66-W107 HydrophobicContact CG-CB 4.09Å; R66-W107 HydrophobicContact CG-CD2 3.83Å; R66-W107 HydrophobicContact CG-CE3 4.33Å; R66-W107 HydrophobicContact CG-CG 3.74Å; M69-W107 HydrophobicContact CB-CE3 4.4Å; M69-W107 HydrophobicContact CG-CE3 4.23Å; M103-W107 HydrophobicContact CE-CH2 3.72Å; M103-W107 HydrophobicContact CE-CZ2 3.21Å; M103-W107 WeakPolarHBondContact O-CB 3.33Å; M103-W107 PolarHBondContact O-N 2.82Å; F104-W107 AromaticContact CD1-CE3 3.93Å; F104-W107 HydrophobicContact CD1-CE3 3.93Å; F104-W107 AromaticContact CD1-CZ3 3.98Å; F104-W107 HydrophobicContact CD1-CZ3 3.98Å; F104-W107 HydrophobicContact CE1-CE3 4.34Å; F104-W107 AromaticContact CE1-CZ3 3.96Å; F104-W107 HydrophobicContact CE1-CZ3 3.96Å; F104-W107 PolarHBondContact O-N 2.82Å; W107-G111 PolarHBondContact O-N 2.77Å; W107-M134 HydrophobicContact CH2-CE 3.34Å; W107-M134 HydrophobicContact CZ2-CE 4.38Å; W107-M134 HydrophobicContact CZ3-CE 3.48Å; W107-M134 VanDerWaalsContact CZ3-CE 3.48Å
108V98.8Very high98Very high2 Ų233.4 Ų33.41%0.01219%0.191CC..Hα-helixtrans-61.2-48.9179.81720000110.8F9 V14 M69 I72 F74 F104 E106 A112F9-V108 HydrophobicContact CE1-CG2 4.49Å; F9-V108 HydrophobicContact CZ-CB 3.87Å; F9-V108 HydrophobicContact CZ-CG1 3.83Å; F9-V108 HydrophobicContact CZ-CG2 4.2Å; V14-V108 HydrophobicContact CG1-CG1 3.83Å; M69-V108 HydrophobicContact CB-CG2 4.16Å; M69-V108 HydrophobicContact CE-CG2 3.92Å; M69-V108 WeakPolarHBondContact O-CG2 3.12Å; I72-V108 HydrophobicContact CG2-CB 4.25Å; I72-V108 HydrophobicContact CG2-CG1 3.6Å; I72-V108 HydrophobicContact CG2-CG2 3.54Å; F74-V108 HydrophobicContact CE1-CG1 4.16Å; F74-V108 HydrophobicContact CE2-CG1 4.15Å; F74-V108 HydrophobicContact CZ-CG1 3.6Å; F104-V108 WeakPolarHBondContact O-CB 3.47Å; F104-V108 WeakPolarHBondContact O-CG2 3.47Å; F104-V108 PolarHBondContact O-N 3.48Å; E106-V108 PolarHBondContact O-N 3.24Å; V108-A112 PolarHBondContact O-N 2.91Å
109L98.8Very high98Very high0 Ų036.8 Ų36.80%021%0.209CC..Hα-helixtrans-71.2-37.4-177.6-70.3175.1000112.7F9 V13 F74 L82 I96 I105 E106 G113 L114 W115 V118F9-L109 HydrophobicContact CE2-CG 4.39Å; V13-L109 HydrophobicContact CG1-CD2 4.37Å; F74-L109 HydrophobicContact CE1-CD2 4.18Å; L82-L109 HydrophobicContact CD1-CD2 3.96Å; I96-L109 HydrophobicContact CD1-CD1 3.64Å; I105-L109 HydrophobicContact CG2-CD1 3.76Å; I105-L109 WeakPolarHBondContact O-CB 3.5Å; I105-L109 VanDerWaalsContact O-CG 3.31Å; I105-L109 WeakPolarHBondContact O-CG 3.32Å; I105-L109 PolarHBondContact O-N 2.89Å; I105-L109 VanDerWaalsContact O-N 3.13Å; E106-L109 PolarHBondContact O-N 2.81Å; L109-G113 PolarHBondContact O-N 3.3Å; L109-L114 HydrophobicContact CD2-CB 4.21Å; L109-L114 PolarHBondContact O-N 3.33Å; L109-W115 HydrophobicContact CB-CB 4.42Å; L109-W115 HydrophobicContact CB-CE3 3.78Å; L109-W115 HydrophobicContact CD1-CE3 3.76Å; L109-W115 HydrophobicContact CD1-CZ3 3.95Å; L109-W115 HydrophobicContact CG-CE3 4.45Å; L109-W115 PolarHBondContact O-N 3.17Å; L109-V118 HydrophobicContact CD1-CG2 3.85Å
110Q98.4Very high98.2Very high71 Ų7139.8 Ų39.833%0.33222%0.222SC..Hα-helixtrans-68.1-44.1175.5-75-179.5-0.100111.6E106 A112 G113 W115E106-Q110 HydrophobicContact CG-CG 4.15Å; E106-Q110 VanDerWaalsContact O-CB 3.25Å; E106-Q110 WeakPolarHBondContact O-CB 3.23Å; E106-Q110 VanDerWaalsContact O-CG 3.27Å; E106-Q110 WeakPolarHBondContact O-CG 3.45Å; E106-Q110 PolarHBondContact O-N 3.47Å; E106-Q110 PolarHBondContact OE1-NE2 3.46Å; Q110-A112 PolarHBondContact O-N 3.37Å; Q110-G113 PolarHBondContact O-N 2.97Å; Q110-W115 HydrophobicContact CG-CB 4.04Å; Q110-W115 HydrophobicContact CG-CD2 4.38Å; Q110-W115 HydrophobicContact CG-CG 4.12Å
111G98.1Very high98.3Very high45 Ų4541.4 Ų41.446%0.46423%0.232SC..Hα-helixtrans-59.5-32.9177.600000113W107W107-G111 PolarHBondContact O-N 2.77Å
112A98.3Very high98.4Very high48 Ų4843.1 Ų43.140%0.39724%0.238SC..THydrogen-bonded Turntrans-86.6-5.7174.900000114.6F74 V108 Q110 L114F74-A112 HydrophobicContact CE2-CB 3.55Å; F74-A112 HydrophobicContact CZ-CB 3.58Å; V108-A112 PolarHBondContact O-N 2.91Å; Q110-A112 PolarHBondContact O-N 3.37Å; A112-L114 HydrophobicContact CB-CB 4.47Å; A112-L114 HydrophobicContact CB-CD1 3.82Å; A112-L114 HydrophobicContact CB-CG 3.96Å; A112-L114 PolarHBondContact O-N 3.18Å
113G98.4Very high98.4Very high60 Ų6041.2 Ų41.262%0.61923%0.227SC*.THydrogen-bonded Turntrans7115.9-174.800000114.7L109 Q110L109-G113 PolarHBondContact O-N 3.3Å; Q110-G113 PolarHBondContact O-N 2.97Å
114L98.6Very high98.3Very high16 Ų1640.2 Ų40.28%0.08422%0.222CC..  trans-98.2-3.5-174.1-63.3172.5000113.6F74 P79 L82 L109 A112 K116 A117F74-L114 HydrophobicContact CD1-CD1 4.42Å; F74-L114 HydrophobicContact CE1-CD1 3.89Å; F74-L114 HydrophobicContact CE2-CD1 4.45Å; F74-L114 HydrophobicContact CZ-CD1 3.91Å; P79-L114 HydrophobicContact CB-CD1 4.13Å; P79-L114 HydrophobicContact CG-CD1 4.46Å; L82-L114 HydrophobicContact CB-CB 4.46Å; L82-L114 HydrophobicContact CB-CD2 4.15Å; L82-L114 HydrophobicContact CD1-CB 4.25Å; L82-L114 HydrophobicContact CD1-CD1 4.1Å; L109-L114 HydrophobicContact CD2-CB 4.21Å; L109-L114 PolarHBondContact O-N 3.33Å; A112-L114 HydrophobicContact CB-CB 4.47Å; A112-L114 HydrophobicContact CB-CD1 3.82Å; A112-L114 HydrophobicContact CB-CG 3.96Å; A112-L114 PolarHBondContact O-N 3.18Å; L114-K116 PolarHBondContact O-N 3.22Å; L114-K116 VanDerWaalsContact O-N 3.1Å; L114-A117 VanDerWaalsContact O-CB 3.23Å; L114-A117 WeakPolarHBondContact O-CB 3.4Å; L114-A117 PolarHBondContact O-N 2.98Å
115W98.1Very high98.2Very high90 Ų9042.4 Ų42.434%0.34124%0.236SC..G310 helixtrans-52.4-36.1-178.7-175.8-107.8000113.9E106 L109 Q110 A117 V118 V121E106-W115 HydrophobicContact CB-CH2 4.26Å; E106-W115 HydrophobicContact CB-CZ3 4.09Å; E106-W115 HydrophobicContact CG-CH2 4.3Å; E106-W115 HydrophobicContact CG-CZ3 4.29Å; L109-W115 HydrophobicContact CB-CB 4.42Å; L109-W115 HydrophobicContact CB-CE3 3.78Å; L109-W115 HydrophobicContact CD1-CE3 3.76Å; L109-W115 HydrophobicContact CD1-CZ3 3.95Å; L109-W115 HydrophobicContact CG-CE3 4.45Å; L109-W115 PolarHBondContact O-N 3.17Å; Q110-W115 HydrophobicContact CG-CB 4.04Å; Q110-W115 HydrophobicContact CG-CD2 4.38Å; Q110-W115 HydrophobicContact CG-CG 4.12Å; W115-A117 PolarHBondContact O-N 2.61Å; W115-A117 VanDerWaalsContact O-N 3.09Å; W115-V118 PolarHBondContact O-N 3.48Å; W115-V121 HydrophobicContact CH2-CG2 3.71Å; W115-V121 HydrophobicContact CZ3-CG2 3.87Å
116K97.9Very high98.1Very high176 Ų17643.1 Ų43.177%0.76524%0.242SC*.G310 helixtrans-61.2-20.1179.3-66.9-177.2-179.9177.50113.9K89 L114 V118K89-K116 WeakPolarHBondContact CE-O 3.34Å; L114-K116 PolarHBondContact O-N 3.22Å; L114-K116 VanDerWaalsContact O-N 3.1Å; K116-V118 VanDerWaalsContact C-N 3.26Å; K116-V118 PolarHBondContact O-N 2.85Å
117A98.6Very high97.9Very high1 Ų142.2 Ų42.21%0.00824%0.244CC..G310 helixtrans-69.5-25.3175.700000112.2L82 I85 K89 C94 L114 W115L82-A117 HydrophobicContact CB-CB 3.81Å; L82-A117 HydrophobicContact CD2-CB 4.05Å; L82-A117 HydrophobicContact CG-CB 4.47Å; L82-A117 WeakPolarHBondContact O-CB 3.41Å; I85-A117 HydrophobicContact CG2-CB 4.4Å; I85-A117 WeakPolarHBondContact CG2-O 3.31Å; K89-A117 PolarHBondContact NZ-O 2.65Å; C94-A117 VanDerWaalsContact CB-O 3.26Å; C94-A117 WeakPolarHBondContact CB-O 3.32Å; L114-A117 VanDerWaalsContact O-CB 3.23Å; L114-A117 WeakPolarHBondContact O-CB 3.4Å; L114-A117 PolarHBondContact O-N 2.98Å; W115-A117 PolarHBondContact O-N 2.61Å; W115-A117 VanDerWaalsContact O-N 3.09Å
118V98.6Very high97.8Very high11 Ų1144.3 Ų44.37%0.06726%0.256CS..  trans-105.6122.7-171.2-175.90000110.2I96 L109 W115 K116 Q120 V121I96-V118 HydrophobicContact CD1-CG1 4.09Å; I96-V118 HydrophobicContact CD1-CG2 3.8Å; I96-V118 HydrophobicContact CG1-CG1 4Å; I96-V118 HydrophobicContact CG1-CG2 4.22Å; L109-V118 HydrophobicContact CD1-CG2 3.85Å; W115-V118 PolarHBondContact O-N 3.48Å; K116-V118 VanDerWaalsContact C-N 3.26Å; K116-V118 PolarHBondContact O-N 2.85Å; V118-Q120 WeakPolarHBondContact CG1-O 3.38Å; V118-V121 HydrophobicContact CG1-CG2 3.85Å
119D98.4Very high97.6Very high71 Ų7145.9 Ų45.938%0.3826%0.264SS..SBendtrans-78.6-42.3178.6-61.2-60.7000111.8K89 D93 C94K89-D119 WeakPolarHBondContact CE-OD1 3.35Å; K89-D119 IonicContact NZ-OD1 2.74Å; K89-D119 PolarHBondContact NZ-OD1 2.81Å; K89-D119 IonicContact NZ-OD2 2.74Å; K89-D119 PolarHBondContact NZ-OD2 2.79Å; D93-D119 WeakPolarHBondContact CA-OD2 3.46Å; C94-D119 PolarHBondContact N-OD2 3.43Å; C94-D119 WeakPolarHBondContact O-CB 3.45Å; C94-D119 PolarHBondContact O-N 2.87Å
120Q98.3Very high97.3Very high84 Ų8455.8 Ų55.839%0.39331%0.31SS..EExtended strand (participates in β ladder)trans-149.1148.2-179.6-62.2-170.938.900111.9I95 I96 V118 Y122I95-Q120 VanDerWaalsContact CA-O 3.29Å; I95-Q120 WeakPolarHBondContact CA-O 3.46Å; I95-Q120 HydrophobicContact CG2-CB 4.1Å; I96-Q120 PolarHBondContact N-O 2.88Å; V118-Q120 WeakPolarHBondContact CG1-O 3.38Å; Q120-Y122 HydrophobicContact CB-CE2 3.95Å; Q120-Y122 PolarHBondContact OE1-OH 3.03Å
121V98.6Very high97Very high36 Ų3656.8 Ų56.822%0.21833%0.325CS..EExtended strand (participates in β ladder)trans-118.6124.1175.8177.50000109.2I96 I105 W115 V118I96-V121 HydrophobicContact CB-CG1 4.46Å; I96-V121 HydrophobicContact CB-CG2 4.3Å; I96-V121 HydrophobicContact CG2-CG1 4.48Å; I105-V121 HydrophobicContact CB-CG1 4.31Å; I105-V121 HydrophobicContact CD1-CG1 3.68Å; I105-V121 HydrophobicContact CG2-CG1 3.96Å; I105-V121 HydrophobicContact CG2-CG2 3.93Å; W115-V121 HydrophobicContact CH2-CG2 3.71Å; W115-V121 HydrophobicContact CZ3-CG2 3.87Å; V118-V121 HydrophobicContact CG1-CG2 3.85Å
122Y98.4Very high96.7Very high37 Ų3756.1 Ų56.115%0.14532%0.318CS..EExtended strand (participates in β ladder)trans-111.4111.6170.8-60.9-87.8000108.5I95 I96 V97 S98 Q120 H139 M151 V156 Y160I95-Y122 HydrophobicContact CD1-CE2 4.38Å; I96-Y122 PolarHBondContact O-N 3.05Å; V97-Y122 WeakPolarHBondContact CA-O 3.14Å; V97-Y122 HydrophobicContact CG2-CD2 4.26Å; S98-Y122 PolarHBondContact N-O 3.3Å; Q120-Y122 HydrophobicContact CB-CE2 3.95Å; Q120-Y122 PolarHBondContact OE1-OH 3.03Å; Y122-H139 AromaticContact CD1-NE2 3.95Å; Y122-M151 WeakPolarHBondContact O-CE 3.48Å; Y122-V156 HydrophobicContact CD1-CG1 3.71Å; Y122-V156 HydrophobicContact CD2-CG1 3.9Å; Y122-V156 HydrophobicContact CE1-CG1 4.39Å; Y122-V156 HydrophobicContact CG-CG1 3.43Å; Y122-V156 VanDerWaalsContact CG-CG1 3.43Å; Y122-Y160 AromaticContact CE2-CD2 3.95Å; Y122-Y160 HydrophobicContact CE2-CD2 3.95Å; Y122-Y160 HydrophobicContact CE2-CE2 4.43Å; Y122-Y160 AromaticContact CZ-CD2 3.96Å; Y122-Y160 VanDerWaalsContact OH-CD2 3.23Å; Y122-Y160 WeakPolarHBondContact OH-CD2 3.39Å
123S97.8Very high96.4Very high1 Ų157.3 Ų57.31%0.00731%0.313CS..EExtended strand (participates in β ladder)trans-159.2178.2-179.1-1640000110.8S98 A100 N101 P125 H139S98-S123 VanDerWaalsContact O-CA 3.27Å; S98-S123 WeakPolarHBondContact O-CA 3.5Å; S98-S123 VanDerWaalsContact O-CB 3.31Å; S98-S123 WeakPolarHBondContact O-CB 3.19Å; S98-S123 PolarHBondContact O-OG 3.01Å; A100-S123 PolarHBondContact O-OG 2.87Å; N101-S123 PolarHBondContact N-OG 2.88Å; S123-P125 VanDerWaalsContact O-CD 3.29Å; S123-P125 WeakPolarHBondContact O-CD 3.38Å; S123-H139 PolarHBondContact O-ND1 2.8Å
124N96.7Very high96.1Very high4 Ų455.3 Ų55.32%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-62120.8174.8-61.9-56.6000109.3D99 A100 N101 T102 A126 Q137 H139 N150D99-N124 PolarHBondContact O-ND2 3.06Å; A100-N124 VanDerWaalsContact O-CB 3.28Å; A100-N124 WeakPolarHBondContact O-CB 3.1Å; A100-N124 PolarHBondContact O-ND2 3.12Å; N101-N124 VanDerWaalsContact CA-O 3.22Å; N101-N124 WeakPolarHBondContact CA-O 3.27Å; N101-N124 WeakPolarHBondContact CB-O 3.23Å; T102-N124 PolarHBondContact N-O 3.02Å; N124-A126 PolarHBondContact O-N 3.05Å; N124-Q137 VanDerWaalsContact CB-O 3.26Å; N124-Q137 WeakPolarHBondContact CB-O 3.38Å; N124-H139 PolarHBondContact OD1-N 3.13Å; N124-N150 PolarHBondContact ND2-ND2 3.38Å; N124-N150 VanDerWaalsContact ND2-ND2 3.16Å; N124-N150 WeakPolarHBondContact OD1-CB 3.43Å; N124-N150 PolarHBondContact OD1-ND2 3.13Å
125P95.9Very high95.8Very high47 Ų4758.8 Ų58.831%0.30530%0.304SS..  trans-60.2132.5178.6-24.534.2000110.9S123 Q137S123-P125 VanDerWaalsContact O-CD 3.29Å; S123-P125 WeakPolarHBondContact O-CD 3.38Å; P125-Q137 HydrophobicContact CB-CB 4.39Å; P125-Q137 WeakPolarHBondContact CD-O 3.31Å; P125-Q137 PolarHBondContact O-N 3Å
126A95.8Very high95.6Very high14 Ų1456.1 Ų56.112%0.11630%0.296CS..EExtended strand (participates in β ladder)trans-122.4144.3170.900000110.8N101 T102 M103 N124 E135 L136N101-A126 HydrophobicContact CB-CB 3.88Å; N101-A126 WeakPolarHBondContact OD1-CB 3.45Å; T102-A126 PolarHBondContact OG1-N 2.86Å; M103-A126 HydrophobicContact CB-CB 3.96Å; M103-A126 HydrophobicContact CG-CB 3.66Å; M103-A126 WeakPolarHBondContact CG-O 3.27Å; M103-A126 VanDerWaalsContact SD-C 3.56Å; M103-A126 HydrophobicContact SD-CB 3.86Å; N124-A126 PolarHBondContact O-N 3.05Å; A126-E135 VanDerWaalsContact CA-O 3.25Å; A126-E135 WeakPolarHBondContact CA-O 3.48Å; A126-L136 HydrophobicContact CB-CD2 3.68Å
127S96.1Very high95.2Very high53 Ų5353.1 Ų53.137%0.37129%0.285SS..EExtended strand (participates in β ladder)trans-148.2160.3175.856.30000111.1M134 E135S127-M134 WeakPolarHBondContact O-CA 3.41Å; S127-E135 PolarHBondContact N-O 2.99Å; S127-E135 VanDerWaalsContact N-O 3.14Å; S127-E135 PolarHBondContact O-N 3.25Å
128I96.1Very high94.8Very high64 Ų6456.2 Ų56.233%0.32830%0.299SS..EExtended strand (participates in β ladder)trans-90.3124.1168.6-54.2-52.6000108.6P62 M103 Y133 M134P62-I128 HydrophobicContact CB-CD1 3.88Å; P62-I128 HydrophobicContact CB-CG1 4.18Å; P62-I128 HydrophobicContact CG-CD1 3.76Å; P62-I128 HydrophobicContact CG-CG1 4.06Å; P62-I128 HydrophobicContact CG-CG2 4.09Å; M103-I128 HydrophobicContact CE-CD1 3.79Å; M103-I128 HydrophobicContact CE-CG1 3.75Å; M103-I128 HydrophobicContact SD-CD1 4.16Å; M103-I128 HydrophobicContact SD-CG1 4.42Å; I128-Y133 CarbonylContact C-O 3.56Å; I128-Y133 WeakPolarHBondContact CA-O 3.43Å; I128-M134 HydrophobicContact CD1-CB 3.97Å; I128-M134 HydrophobicContact CD1-CE 4.21Å; I128-M134 HydrophobicContact CD1-CG 4.49Å
129N93.4Very high94.3Very high35 Ų3558.3 Ų58.319%0.18731%0.308CS..  trans-79.6176.9179.173.511.5000112.3S131 G132 Y133 E135N129-S131 PolarHBondContact O-N 3.01Å; N129-S131 WeakPolarHBondContact OD1-CA 3.42Å; N129-S131 WeakPolarHBondContact OD1-CB 3.39Å; N129-S131 PolarHBondContact OD1-N 2.9Å; N129-G132 PolarHBondContact O-N 3.23Å; N129-G132 PolarHBondContact OD1-N 3.41Å; N129-G132 VanDerWaalsContact OD1-N 3.13Å; N129-Y133 PolarHBondContact N-O 3.38Å; N129-Y133 PolarHBondContact OD1-N 2.68Å; N129-Y133 PolarHBondContact OD1-O 3.38Å; N129-E135 VanDerWaalsContact CB-CD 3.46Å; N129-E135 HydrophobicContact CB-CG 3.98Å; N129-E135 WeakPolarHBondContact CB-OE1 3.32Å; N129-E135 PolarHBondContact ND2-OE1 3.48Å
130E93Very high93.7Very high207 Ų20756.9 Ų56.997%0.96730%0.299SS*.THydrogen-bonded Turntrans-60.6-25.7-179.7-62.4-177.6174.100113.5G132E130-G132 VanDerWaalsContact C-N 3.26Å; E130-G132 PolarHBondContact O-N 3.2Å
131S91.3Very high93.2Very high93 Ų9360.5 Ų60.565%0.6532%0.32SS*.THydrogen-bonded Turntrans-82.4-0.2175.7-56.70000113.2N129 Y133N129-S131 PolarHBondContact O-N 3.01Å; N129-S131 WeakPolarHBondContact OD1-CA 3.42Å; N129-S131 WeakPolarHBondContact OD1-CB 3.39Å; N129-S131 PolarHBondContact OD1-N 2.9Å; S131-Y133 VanDerWaalsContact C-N 3.34Å; S131-Y133 WeakPolarHBondContact O-CD1 2.82Å
132G91.6Very high92.7Very high31 Ų3161.1 Ų61.132%0.3232%0.32SS..SBendtrans80.111.7-177.900000114.3P62 N129 E130P62-G132 WeakPolarHBondContact CG-O 3.34Å; N129-G132 PolarHBondContact O-N 3.23Å; N129-G132 PolarHBondContact OD1-N 3.41Å; N129-G132 VanDerWaalsContact OD1-N 3.13Å; E130-G132 VanDerWaalsContact C-N 3.26Å; E130-G132 PolarHBondContact O-N 3.2Å
133Y92.1Very high92.2Very high72 Ų7268.9 Ų68.928%0.28236%0.358SS..  trans-96.3148.6-178.5-65.46.5000110.5G56 D57 I128 N129 S131G56-Y133 VanDerWaalsContact C-CZ 3.5Å; D57-Y133 VanDerWaalsContact OD1-CE2 3.28Å; D57-Y133 WeakPolarHBondContact OD1-CE2 3.34Å; D57-Y133 PolarHBondContact OD1-OH 2.8Å; I128-Y133 CarbonylContact C-O 3.56Å; I128-Y133 WeakPolarHBondContact CA-O 3.43Å; N129-Y133 PolarHBondContact N-O 3.38Å; N129-Y133 PolarHBondContact OD1-N 2.68Å; N129-Y133 PolarHBondContact OD1-O 3.38Å; S131-Y133 VanDerWaalsContact C-N 3.34Å; S131-Y133 WeakPolarHBondContact O-CD1 2.82Å
134M93.3Very high91.7Very high18 Ų1870.8 Ų70.89%0.08937%0.371CS..EExtended strand (participates in β ladder)trans-76.2130.3171.6-178.3173.3-68.200110.5M52 M103 F104 W107 S127 I128M52-M134 HydrophobicContact CB-CB 4.24Å; M52-M134 WeakPolarHBondContact CB-O 3.25Å; M52-M134 HydrophobicContact CE-SD 4.36Å; M52-M134 HydrophobicContact CG-CB 4.4Å; M52-M134 HydrophobicContact CG-CG 4.27Å; M52-M134 HydrophobicContact CG-SD 4.31Å; M52-M134 HydrophobicContact SD-SD 4Å; M103-M134 HydrophobicContact CB-CE 4.29Å; M103-M134 HydrophobicContact CE-CE 4.2Å; M103-M134 HydrophobicContact SD-CE 3.87Å; F104-M134 HydrophobicContact CD1-CE 4.23Å; F104-M134 HydrophobicContact CD1-SD 4.31Å; F104-M134 HydrophobicContact CE1-CE 3.6Å; F104-M134 HydrophobicContact CE1-SD 3.48Å; F104-M134 WeakPolarHBondContact CE1-SD 3.17Å; F104-M134 HydrophobicContact CZ-CE 4.5Å; F104-M134 HydrophobicContact CZ-SD 3.86Å; W107-M134 HydrophobicContact CH2-CE 3.34Å; W107-M134 HydrophobicContact CZ2-CE 4.38Å; W107-M134 HydrophobicContact CZ3-CE 3.48Å; W107-M134 VanDerWaalsContact CZ3-CE 3.48Å; S127-M134 WeakPolarHBondContact O-CA 3.41Å; I128-M134 HydrophobicContact CD1-CB 3.97Å; I128-M134 HydrophobicContact CD1-CE 4.21Å; I128-M134 HydrophobicContact CD1-CG 4.49Å
135E92.2Very high91.3Very high89 Ų8975.6 Ų75.642%0.41641%0.411SS..EExtended strand (participates in β ladder)trans-117.4147.4174.3-69.1-176166.200110.6A126 S127 N129A126-E135 VanDerWaalsContact CA-O 3.25Å; A126-E135 WeakPolarHBondContact CA-O 3.48Å; S127-E135 PolarHBondContact N-O 2.99Å; S127-E135 VanDerWaalsContact N-O 3.14Å; S127-E135 PolarHBondContact O-N 3.25Å; N129-E135 VanDerWaalsContact CB-CD 3.46Å; N129-E135 HydrophobicContact CB-CG 3.98Å; N129-E135 WeakPolarHBondContact CB-OE1 3.32Å; N129-E135 PolarHBondContact ND2-OE1 3.48Å
136L92.8Very high90.8Very high34 Ų3481.8 Ų81.818%0.17843%0.433CS..EExtended strand (participates in β ladder)trans-120.2142-178.7-59.1177.8000110M48 M52 N101 A126M48-L136 HydrophobicContact CB-CD1 3.74Å; M52-L136 HydrophobicContact CE-CD1 4.47Å; M52-L136 HydrophobicContact CG-CD1 4.14Å; M52-L136 HydrophobicContact CG-CG 4.35Å; N101-L136 HydrophobicContact CB-CD2 3.74Å; A126-L136 HydrophobicContact CB-CD2 3.68Å
137Q89.8Confident90.6Very high114 Ų11482 Ų8253%0.53343%0.434SS..  trans-125.9155.7173.2-60.1-177.8800110.3N124 P125N124-Q137 VanDerWaalsContact CB-O 3.26Å; N124-Q137 WeakPolarHBondContact CB-O 3.38Å; P125-Q137 HydrophobicContact CB-CB 4.39Å; P125-Q137 WeakPolarHBondContact CD-O 3.31Å; P125-Q137 PolarHBondContact O-N 3Å
138H90.3Very high90.1Very high65 Ų6581.9 Ų81.930%0.30143%0.432SS..  trans-68.3142.1171.6-65.8-178.4000109.8E46 N150E46-H138 IonicContact OE1-CE1 3.7Å; E46-H138 IonicContact OE1-NE2 3.86Å; H138-N150 HydrophobicContact CB-CB 4.21Å
139H88.3Confident89.8Confident55 Ų5582.4 Ų82.426%0.25544%0.438SS..SBendtrans-63-48.3179.6-17663.7000112.5Y122 S123 N124 N150 M151Y122-H139 AromaticContact CD1-NE2 3.95Å; S123-H139 PolarHBondContact O-ND1 2.8Å; N124-H139 PolarHBondContact OD1-N 3.13Å; H139-N150 PolarHBondContact N-O 3.36Å; H139-M151 HydrophobicContact CB-CB 4.12Å; H139-M151 HydrophobicContact CB-CG 4.02Å; H139-M151 HydrophobicContact CB-SD 4.06Å; H139-M151 VanDerWaalsContact CD2-CE 3.48Å; H139-M151 WeakPolarHBondContact CD2-CE 3.23Å
140H86.4Confident89.6Confident42 Ų4281 Ų8119%0.19443%0.431CS..  trans-157.5163.117565.2-77.1000111.9H142 N150 C152H140-H142 AromaticContact CD2-CD2 3.8Å; H140-H142 AromaticContact NE2-CD2 3.45Å; H140-H142 PolarHBondContact NE2-CD2 3.38Å; H140-H142 AromaticContact NE2-CG 3.93Å; H140-N150 PolarHBondContact N-O 2.87Å; H140-C152 PolarHBondContact CE1-N 3.2Å; H140-C152 PolarHBondContact NE2-N 3.39Å
141L86.6Confident89.6Confident160 Ų16071.2 Ų71.284%0.83839%0.385SS*.  trans-84.9137.3166.9-59.9178.2000110
142H88.9Confident89.8Confident48 Ų4867.1 Ų67.122%0.22236%0.356CS..  trans-150.9163.9175.562.972.7000112.4H140 C144 P148 C152H140-H142 AromaticContact CD2-CD2 3.8Å; H140-H142 AromaticContact NE2-CD2 3.45Å; H140-H142 PolarHBondContact NE2-CD2 3.38Å; H140-H142 AromaticContact NE2-CG 3.93Å; H142-C144 PolarHBondContact ND1-N 3.24Å; H142-P148 PolarHBondContact CE1-O 2.84Å; H142-P148 PolarHBondContact NE2-O 3.17Å; H142-C152 HydrophobicContact CB-CB 4.31Å; H142-C152 PolarHBondContact CD2-N 3.34Å; H142-C152 VanDerWaalsContact CD2-N 3.25Å; H142-C152 PolarHBondContact NE2-N 2.93Å
143E87.6Confident90.1Very high201 Ų20165.7 Ų65.794%0.93934%0.341SS*.  trans-103.79.3-178.3-59.1-177.9166.200113.3A145E143-A145 PolarHBondContact O-N 3.08Å; E143-A145 VanDerWaalsContact O-N 3.12Å
144C88.4Confident90.3Very high40 Ų4065 Ų6527%0.2734%0.339SS..  trans-66.9111.4179.1-171.50000111.9H142 K146 C147 C152H142-C144 PolarHBondContact ND1-N 3.24Å; C144-K146 PolarHBondContact O-N 3.08Å; C144-K146 VanDerWaalsContact O-N 3.17Å; C144-C147 HydrophobicContact CB-CB 4.13Å; C144-C147 PolarHBondContact O-N 3.07Å; C144-C152 HydrophobicContact CB-CB 4.26Å
145A86.8Confident90.5Very high106 Ų10669.3 Ų69.388%0.87636%0.357SS*.THydrogen-bonded Turntrans-68.5-10.8179.900000115.1E143E143-A145 PolarHBondContact O-N 3.08Å; E143-A145 VanDerWaalsContact O-N 3.12Å
146K86.8Confident90.7Very high176 Ų17665.4 Ų65.477%0.76534%0.34SS*.THydrogen-bonded Turntrans-103.2-13.8-176.7-64.3-177.9-177.7176.70113.4C144C144-K146 PolarHBondContact O-N 3.08Å; C144-K146 VanDerWaalsContact O-N 3.17Å
147C89.8Confident91Very high19 Ų1963.8 Ų63.813%0.12833%0.331CS..SBendtrans-100.4153.8-176.7-67.10000111C144 C152C144-C147 HydrophobicContact CB-CB 4.13Å; C144-C147 PolarHBondContact O-N 3.07Å; C147-C152 HydrophobicContact CB-CB 4.08Å
148P87.6Confident91.3Very high50 Ų5062 Ų6233%0.32532%0.323SS..  trans-52.1154166.5-26.437.3000112H142 N150H142-P148 PolarHBondContact CE1-O 2.84Å; H142-P148 PolarHBondContact NE2-O 3.17Å; P148-N150 WeakPolarHBondContact CB-OD1 3.17Å; P148-N150 PolarHBondContact O-N 3.41Å
149V88.8Confident91.7Very high75 Ų7561.3 Ų61.346%0.45532%0.323SS..THydrogen-bonded Turntrans-67.8-19.7-175.2-63.60000114.2
150N88.4Confident92.1Very high7 Ų758.9 Ų58.94%0.03731%0.312CS..THydrogen-bonded Turntrans-84-28.4-173.863.9-72.1000112.6T45 D99 N124 H138 H139 H140 P148T45-N150 HydrophobicContact CG2-CB 4.46Å; T45-N150 VanDerWaalsContact OG1-CB 3.32Å; T45-N150 WeakPolarHBondContact OG1-CB 3.5Å; T45-N150 VanDerWaalsContact OG1-CG 3.3Å; D99-N150 PolarHBondContact OD1-ND2 3.11Å; N124-N150 PolarHBondContact ND2-ND2 3.38Å; N124-N150 VanDerWaalsContact ND2-ND2 3.16Å; N124-N150 WeakPolarHBondContact OD1-CB 3.43Å; N124-N150 PolarHBondContact OD1-ND2 3.13Å; H138-N150 HydrophobicContact CB-CB 4.21Å; H139-N150 PolarHBondContact N-O 3.36Å; H140-N150 PolarHBondContact N-O 2.87Å; P148-N150 WeakPolarHBondContact CB-OD1 3.17Å; P148-N150 PolarHBondContact O-N 3.41Å
151M93.8Very high92.7Very high1 Ų159.2 Ų59.21%0.00532%0.315CS..  trans-165.3135.2-174.1-168.3174.9-170.700113.2V97 Y122 H139 V156V97-M151 HydrophobicContact CG1-CE 3.64Å; Y122-M151 WeakPolarHBondContact O-CE 3.48Å; H139-M151 HydrophobicContact CB-CB 4.12Å; H139-M151 HydrophobicContact CB-CG 4.02Å; H139-M151 HydrophobicContact CB-SD 4.06Å; H139-M151 VanDerWaalsContact CD2-CE 3.48Å; H139-M151 WeakPolarHBondContact CD2-CE 3.23Å; M151-V156 HydrophobicContact CE-CB 4.09Å; M151-V156 HydrophobicContact CE-CG1 4.11Å; M151-V156 HydrophobicContact CE-CG2 3.36Å; M151-V156 HydrophobicContact CG-CG2 4.29Å
152C96.1Very high93.2Very high6 Ų654.5 Ų54.54%0.04130%0.296CS..  trans-104.8104163.5179.70000110.1H140 H142 C144 C147 K154 K155 V156H140-C152 PolarHBondContact CE1-N 3.2Å; H140-C152 PolarHBondContact NE2-N 3.39Å; H142-C152 HydrophobicContact CB-CB 4.31Å; H142-C152 PolarHBondContact CD2-N 3.34Å; H142-C152 VanDerWaalsContact CD2-N 3.25Å; H142-C152 PolarHBondContact NE2-N 2.93Å; C144-C152 HydrophobicContact CB-CB 4.26Å; C147-C152 HydrophobicContact CB-CB 4.08Å; C152-K154 PolarHBondContact O-N 3.34Å; C152-K155 HydrophobicContact CB-CB 4Å; C152-K155 WeakPolarHBondContact O-CB 3.36Å; C152-K155 PolarHBondContact O-N 2.74Å; C152-V156 PolarHBondContact O-N 2.94Å
153K97.2Very high93.6Very high2 Ų257.7 Ų57.71%0.00931%0.31CS..Hα-helixtrans-58.5-33.9-179.4-59.6-164.7-177.4-172.80113.5D8 V97 D99 V156 L157 Y176 N182 D183 P186D8-K153 IonicContact OD1-NZ 3.17Å; D8-K153 PolarHBondContact OD1-NZ 3.5Å; D8-K153 IonicContact OD2-NZ 2.76Å; D8-K153 PolarHBondContact OD2-NZ 3.05Å; V97-K153 HydrophobicContact CG1-CB 3.72Å; V97-K153 HydrophobicContact CG1-CD 4.12Å; V97-K153 HydrophobicContact CG1-CG 3.81Å; V97-K153 WeakPolarHBondContact O-CD 3.35Å; V97-K153 WeakPolarHBondContact O-CE 3.4Å; V97-K153 PolarHBondContact O-NZ 3.1Å; V97-K153 VanDerWaalsContact O-NZ 3.17Å; D99-K153 WeakPolarHBondContact OD2-CE 3.46Å; D99-K153 IonicContact OD2-NZ 2.78Å; K153-V156 PolarHBondContact O-N 3.06Å; K153-L157 PolarHBondContact O-N 3.46Å; K153-Y176 WeakPolarHBondContact CD-OH 3.25Å; K153-N182 VanDerWaalsContact CE-ND2 3.3Å; K153-N182 WeakPolarHBondContact CE-ND2 3.38Å; K153-N182 PolarHBondContact NZ-ND2 3.25Å; K153-D183 WeakPolarHBondContact CD-OD1 3.31Å; K153-D183 IonicContact NZ-OD1 2.65Å; K153-D183 PolarHBondContact NZ-OD1 3.19Å; K153-P186 HydrophobicContact CB-CG 3.49Å; K153-P186 VanDerWaalsContact CB-CG 3.49Å
154K96.6Very high94Very high56 Ų5650.4 Ų50.424%0.24328%0.276CS..Hα-helixtrans-59.7-48174.6173.4177.8165.2163.20111C152 V156 L157 E158 C185 C189C152-K154 PolarHBondContact O-N 3.34Å; K154-V156 VanDerWaalsContact C-N 3.27Å; K154-V156 PolarHBondContact O-N 3.1Å; K154-L157 PolarHBondContact O-N 3.38Å; K154-E158 WeakPolarHBondContact CE-OE1 3.2Å; K154-E158 WeakPolarHBondContact CE-OE2 3.46Å; K154-E158 HydrophobicContact CG-CG 4.32Å; K154-E158 IonicContact NZ-OE1 2.75Å; K154-E158 PolarHBondContact NZ-OE1 3.04Å; K154-E158 WeakPolarHBondContact O-CG 3.31Å; K154-E158 PolarHBondContact O-N 2.86Å; K154-C185 HydrophobicContact CB-CB 4.07Å; K154-C185 WeakPolarHBondContact CB-SG 3.25Å; K154-C189 HydrophobicContact CD-CB 4.37Å; K154-C189 HydrophobicContact CG-CB 4.16Å
155K96.5Very high94.4Very high109 Ų10950.8 Ų50.847%0.47428%0.282SS..Hα-helixtrans-63.3-38.8-177.7-179.858.2-179.9170.10111C152 T159C152-K155 HydrophobicContact CB-CB 4Å; C152-K155 WeakPolarHBondContact O-CB 3.36Å; C152-K155 PolarHBondContact O-N 2.74Å; K155-T159 WeakPolarHBondContact O-CB 3.48Å; K155-T159 PolarHBondContact O-N 3.27Å; K155-T159 PolarHBondContact O-OG1 2.99Å
156V97.8Very high94.8Very high8 Ų852.3 Ų52.35%0.04828%0.275CS..Hα-helixtrans-61-50.8174.2173.60000110.9V97 Y122 M151 C152 K153 K154 E158 T159 Y160V97-V156 HydrophobicContact CG1-CB 4.1Å; V97-V156 HydrophobicContact CG1-CG1 3.93Å; V97-V156 HydrophobicContact CG2-CG1 4.03Å; Y122-V156 HydrophobicContact CD1-CG1 3.71Å; Y122-V156 HydrophobicContact CD2-CG1 3.9Å; Y122-V156 HydrophobicContact CE1-CG1 4.39Å; Y122-V156 HydrophobicContact CG-CG1 3.43Å; Y122-V156 VanDerWaalsContact CG-CG1 3.43Å; M151-V156 HydrophobicContact CE-CB 4.09Å; M151-V156 HydrophobicContact CE-CG1 4.11Å; M151-V156 HydrophobicContact CE-CG2 3.36Å; M151-V156 HydrophobicContact CG-CG2 4.29Å; C152-V156 PolarHBondContact O-N 2.94Å; K153-V156 PolarHBondContact O-N 3.06Å; K154-V156 VanDerWaalsContact C-N 3.27Å; K154-V156 PolarHBondContact O-N 3.1Å; V156-E158 PolarHBondContact O-N 3.1Å; V156-T159 PolarHBondContact O-N 3.43Å; V156-Y160 WeakPolarHBondContact O-CB 3.31Å; V156-Y160 PolarHBondContact O-N 3.04Å
157L98.1Very high95.2Very high0 Ų047.2 Ų47.20%027%0.273CS..Hα-helixtrans-62-44.8179.6-178.957.4000112.7L4 V6 K153 K154 T159 Y160 L161 Y176 P186 L190L4-L157 HydrophobicContact CD2-CD1 4.29Å; V6-L157 HydrophobicContact CG2-CD1 3.85Å; K153-L157 PolarHBondContact O-N 3.46Å; K154-L157 PolarHBondContact O-N 3.38Å; L157-T159 VanDerWaalsContact C-N 3.31Å; L157-T159 PolarHBondContact O-N 2.84Å; L157-Y160 PolarHBondContact O-N 3.47Å; L157-L161 HydrophobicContact CD1-CD1 3.96Å; L157-L161 HydrophobicContact CD1-CG 4.03Å; L157-L161 HydrophobicContact CG-CD1 3.99Å; L157-L161 HydrophobicContact CG-CG 4.46Å; L157-L161 WeakPolarHBondContact O-CB 3.27Å; L157-L161 VanDerWaalsContact O-CG 3.29Å; L157-L161 WeakPolarHBondContact O-CG 2.96Å; L157-L161 PolarHBondContact O-N 2.75Å; L157-Y176 HydrophobicContact CD2-CD2 4.08Å; L157-P186 HydrophobicContact CD2-CB 4.36Å; L157-L190 HydrophobicContact CD2-CD2 4.01Å
158E97.4Very high95.4Very high76 Ų7649.6 Ų49.636%0.35530%0.3SS..Hα-helixtrans-60.8-41176.5-74.1176.8148.400111.9K154 V156 S162 C189K154-E158 WeakPolarHBondContact CE-OE1 3.2Å; K154-E158 WeakPolarHBondContact CE-OE2 3.46Å; K154-E158 HydrophobicContact CG-CG 4.32Å; K154-E158 IonicContact NZ-OE1 2.75Å; K154-E158 PolarHBondContact NZ-OE1 3.04Å; K154-E158 WeakPolarHBondContact O-CG 3.31Å; K154-E158 PolarHBondContact O-N 2.86Å; V156-E158 PolarHBondContact O-N 3.1Å; E158-S162 WeakPolarHBondContact O-CB 3.41Å; E158-S162 PolarHBondContact O-N 2.8Å; E158-C189 HydrophobicContact CG-CB 3.83Å
159T97.3Very high95.7Very high51 Ų5149.9 Ų49.931%0.31330%0.297SS..Hα-helixtrans-66.5-47178.8-54.20000110.4K155 V156 L157 L161 S162 E163K155-T159 WeakPolarHBondContact O-CB 3.48Å; K155-T159 PolarHBondContact O-N 3.27Å; K155-T159 PolarHBondContact O-OG1 2.99Å; V156-T159 PolarHBondContact O-N 3.43Å; L157-T159 VanDerWaalsContact C-N 3.31Å; L157-T159 PolarHBondContact O-N 2.84Å; T159-L161 PolarHBondContact O-N 2.76Å; T159-S162 PolarHBondContact O-N 2.88Å; T159-E163 HydrophobicContact CG2-CG 4.42Å; T159-E163 WeakPolarHBondContact O-CG 3.42Å; T159-E163 PolarHBondContact O-N 3.28Å
160Y98.1Very high96Very high4 Ų450.9 Ų50.92%0.01630%0.304CS..Hα-helixtrans-56.9-49.2176.5179-99.6000112.5L4 I95 Y122 V156 L157 S162 E163 K164 Y171L4-Y160 HydrophobicContact CD1-CE1 3.74Å; L4-Y160 HydrophobicContact CD2-CD1 3.87Å; L4-Y160 HydrophobicContact CD2-CE1 3.6Å; L4-Y160 HydrophobicContact CG-CE1 4.33Å; I95-Y160 HydrophobicContact CD1-CD1 3.89Å; I95-Y160 HydrophobicContact CD1-CD2 4.42Å; I95-Y160 HydrophobicContact CD1-CE1 4.08Å; I95-Y160 HydrophobicContact CD1-CG 4.05Å; I95-Y160 HydrophobicContact CG2-CE1 4.28Å; I95-Y160 HydrophobicContact CG2-CE2 3.86Å; Y122-Y160 AromaticContact CE2-CD2 3.95Å; Y122-Y160 HydrophobicContact CE2-CD2 3.95Å; Y122-Y160 HydrophobicContact CE2-CE2 4.43Å; Y122-Y160 AromaticContact CZ-CD2 3.96Å; Y122-Y160 VanDerWaalsContact OH-CD2 3.23Å; Y122-Y160 WeakPolarHBondContact OH-CD2 3.39Å; V156-Y160 WeakPolarHBondContact O-CB 3.31Å; V156-Y160 PolarHBondContact O-N 3.04Å; L157-Y160 PolarHBondContact O-N 3.47Å; Y160-S162 VanDerWaalsContact C-N 3.32Å; Y160-S162 PolarHBondContact O-N 3.34Å; Y160-E163 PolarHBondContact O-N 2.82Å; Y160-K164 HydrophobicContact CD1-CG 4.32Å; Y160-K164 HydrophobicContact CE1-CG 3.96Å; Y160-K164 HydrophobicContact CE2-CG 4.31Å; Y160-K164 WeakPolarHBondContact O-CB 3.37Å; Y160-K164 VanDerWaalsContact O-CG 3.31Å; Y160-K164 WeakPolarHBondContact O-CG 3.22Å; Y160-K164 PolarHBondContact O-N 3.28Å; Y160-K164 VanDerWaalsContact OH-CE 3.27Å; Y160-K164 WeakPolarHBondContact OH-CE 3.3Å; Y160-Y171 AromaticContact CE1-CE2 3.8Å; Y160-Y171 HydrophobicContact CE1-CE2 3.8Å; Y160-Y171 PolarHBondContact OH-OH 2.76Å; Y160-Y171 VanDerWaalsContact OH-OH 3.13Å
161L97.6Very high96.4Very high48 Ų4851.6 Ų51.625%0.25131%0.306SS..Hα-helixtrans-63.9-38.3179.8-69172.6000111.7L4 L157 T159 A165 Y171 V174L4-L161 HydrophobicContact CD2-CD2 3.79Å; L157-L161 HydrophobicContact CD1-CD1 3.96Å; L157-L161 HydrophobicContact CD1-CG 4.03Å; L157-L161 HydrophobicContact CG-CD1 3.99Å; L157-L161 HydrophobicContact CG-CG 4.46Å; L157-L161 WeakPolarHBondContact O-CB 3.27Å; L157-L161 VanDerWaalsContact O-CG 3.29Å; L157-L161 WeakPolarHBondContact O-CG 2.96Å; L157-L161 PolarHBondContact O-N 2.75Å; T159-L161 PolarHBondContact O-N 2.76Å; L161-A165 WeakPolarHBondContact O-CB 3.28Å; L161-A165 PolarHBondContact O-N 2.92Å; L161-Y171 HydrophobicContact CD2-CD2 3.71Å; L161-Y171 HydrophobicContact CD2-CE2 4.22Å; L161-V174 HydrophobicContact CD2-CG2 4.13Å
162S97.2Very high96.5Very high62 Ų6253 Ų5343%0.43432%0.32SS..Hα-helixtrans-63.8-48.4175.3-1690000111.6E158 T159 Y160 K164 A165 D166E158-S162 WeakPolarHBondContact O-CB 3.41Å; E158-S162 PolarHBondContact O-N 2.8Å; T159-S162 PolarHBondContact O-N 2.88Å; Y160-S162 VanDerWaalsContact C-N 3.32Å; Y160-S162 PolarHBondContact O-N 3.34Å; S162-K164 VanDerWaalsContact C-N 3.3Å; S162-K164 PolarHBondContact O-N 3.49Å; S162-A165 PolarHBondContact O-N 3.5Å; S162-D166 WeakPolarHBondContact O-CB 3.47Å; S162-D166 VanDerWaalsContact O-CG 3.29Å; S162-D166 PolarHBondContact O-N 3.35Å
163E97.2Very high96.5Very high114 Ų11455.3 Ų55.353%0.53333%0.328SS..Hα-helixtrans-61.3-39.2179.4-72.5173.8171.500111.9T159 Y160 G167T159-E163 HydrophobicContact CG2-CG 4.42Å; T159-E163 WeakPolarHBondContact O-CG 3.42Å; T159-E163 PolarHBondContact O-N 3.28Å; Y160-E163 PolarHBondContact O-N 2.82Å; E163-G167 PolarHBondContact O-N 3.13Å
164K97.1Very high96.6Very high49 Ų4955.5 Ų55.521%0.21333%0.329CS..Hα-helixtrans-65-45.5174.4-73-64.3-159.3157.70112.3Y160 S162 G167 G168 E169 Y171Y160-K164 HydrophobicContact CD1-CG 4.32Å; Y160-K164 HydrophobicContact CE1-CG 3.96Å; Y160-K164 HydrophobicContact CE2-CG 4.31Å; Y160-K164 WeakPolarHBondContact O-CB 3.37Å; Y160-K164 VanDerWaalsContact O-CG 3.31Å; Y160-K164 WeakPolarHBondContact O-CG 3.22Å; Y160-K164 PolarHBondContact O-N 3.28Å; Y160-K164 VanDerWaalsContact OH-CE 3.27Å; Y160-K164 WeakPolarHBondContact OH-CE 3.3Å; S162-K164 VanDerWaalsContact C-N 3.3Å; S162-K164 PolarHBondContact O-N 3.49Å; K164-G167 CarbonylContact O-C 3.59Å; K164-G167 WeakPolarHBondContact O-CA 3.3Å; K164-G167 PolarHBondContact O-N 3.47Å; K164-G167 VanDerWaalsContact O-N 3.11Å; K164-G168 PolarHBondContact O-N 2.84Å; K164-E169 CarbonylContact C-O 3.6Å; K164-E169 IonicContact NZ-OE2 2.79Å; K164-E169 PolarHBondContact NZ-OE2 3.44Å; K164-E169 PolarHBondContact O-N 3.14Å; K164-E169 VanDerWaalsContact O-O 3.06Å; K164-Y171 HydrophobicContact CB-CE2 4.21Å; K164-Y171 WeakPolarHBondContact CE-OH 3.28Å; K164-Y171 HydrophobicContact CG-CE2 4.02Å
165A95.6Very high96.7Very high48 Ų4852.9 Ų52.940%0.39732%0.318SS..Hα-helixtrans-63.7-41.2177.800000112.2L161 S162 G167 G168 E169 V170L161-A165 WeakPolarHBondContact O-CB 3.28Å; L161-A165 PolarHBondContact O-N 2.92Å; S162-A165 PolarHBondContact O-N 3.5Å; A165-G167 PolarHBondContact O-N 3.17Å; A165-G168 WeakPolarHBondContact O-CA 3.03Å; A165-G168 PolarHBondContact O-N 3.34Å; A165-E169 WeakPolarHBondContact CA-O 3.46Å; A165-E169 PolarHBondContact N-O 3.35Å; A165-V170 HydrophobicContact CB-CG2 4.48Å
166D96.4Very high96.8Very high138 Ų13847.7 Ų47.774%0.73830%0.295SS*.Hα-helixtrans-62.8-31.7174.2-70.7-21.9000111.7S162 G168S162-D166 WeakPolarHBondContact O-CB 3.47Å; S162-D166 VanDerWaalsContact O-CG 3.29Å; S162-D166 PolarHBondContact O-N 3.35Å; D166-G168 VanDerWaalsContact C-N 3.26Å; D166-G168 PolarHBondContact O-N 2.85Å
167G95Very high96.8Very high69 Ų6947.3 Ų47.371%0.71129%0.293SS*.THydrogen-bonded Turntrans-77.90170.800000115.2E163 K164 A165E163-G167 PolarHBondContact O-N 3.13Å; K164-G167 CarbonylContact O-C 3.59Å; K164-G167 WeakPolarHBondContact O-CA 3.3Å; K164-G167 PolarHBondContact O-N 3.47Å; K164-G167 VanDerWaalsContact O-N 3.11Å; A165-G167 PolarHBondContact O-N 3.17Å
168G94.2Very high96.9Very high69 Ų6947.3 Ų47.371%0.71129%0.293SS*.THydrogen-bonded Turntrans82.99.3-179.900000115.3K164 A165 D166K164-G168 PolarHBondContact O-N 2.84Å; A165-G168 WeakPolarHBondContact O-CA 3.03Å; A165-G168 PolarHBondContact O-N 3.34Å; D166-G168 VanDerWaalsContact C-N 3.26Å; D166-G168 PolarHBondContact O-N 2.85Å
169E93.5Very high96.9Very high55 Ų5544.4 Ų44.426%0.25728%0.28SS..  trans-103.6117.3176.4-170.2168.1-148.700109.9K2 K164 A165K2-E169 WeakPolarHBondContact CD-OE1 3.48Å; K2-E169 IonicContact NZ-OE1 3.4Å; K2-E169 PolarHBondContact NZ-OE1 3.18Å; K164-E169 CarbonylContact C-O 3.6Å; K164-E169 IonicContact NZ-OE2 2.79Å; K164-E169 PolarHBondContact NZ-OE2 3.44Å; K164-E169 PolarHBondContact O-N 3.14Å; K164-E169 VanDerWaalsContact O-O 3.06Å; A165-E169 WeakPolarHBondContact CA-O 3.46Å; A165-E169 PolarHBondContact N-O 3.35Å
170V94.7Very high96.8Very high97 Ų9742.3 Ų42.359%0.58827%0.268SS*.  trans-119.3127.6176-177.80000108.7A165A165-V170 HydrophobicContact CB-CG2 4.48Å
171Y96.9Very high96.6Very high22 Ų2243.2 Ų43.29%0.08628%0.279CS..EExtended strand (participates in β ladder)trans-76.7136.9176.4-63.7-71.6000110.6K2 L4 D93 Y160 L161 K164 R173K2-Y171 HydrophobicContact CB-CD1 3.85Å; K2-Y171 HydrophobicContact CB-CE1 4.01Å; K2-Y171 CarbonylContact O-C 3.24Å; K2-Y171 WeakPolarHBondContact O-CA 3.48Å; L4-Y171 HydrophobicContact CB-CD1 3.7Å; L4-Y171 HydrophobicContact CB-CD2 3.95Å; L4-Y171 HydrophobicContact CB-CE1 3.96Å; L4-Y171 HydrophobicContact CB-CE2 4.18Å; L4-Y171 HydrophobicContact CB-CG 3.7Å; L4-Y171 HydrophobicContact CD1-CE1 4.39Å; L4-Y171 HydrophobicContact CD1-CE2 4.34Å; L4-Y171 HydrophobicContact CD2-CD2 4.03Å; L4-Y171 HydrophobicContact CD2-CE2 3.96Å; L4-Y171 HydrophobicContact CG-CE2 4.39Å; D93-Y171 HydrophobicContact CB-CE1 3.85Å; D93-Y171 VanDerWaalsContact OD2-CE1 3.29Å; D93-Y171 WeakPolarHBondContact OD2-CE1 3.45Å; D93-Y171 PolarHBondContact OD2-OH 3.04Å; Y160-Y171 AromaticContact CE1-CE2 3.8Å; Y160-Y171 HydrophobicContact CE1-CE2 3.8Å; Y160-Y171 PolarHBondContact OH-OH 2.76Å; Y160-Y171 VanDerWaalsContact OH-OH 3.13Å; L161-Y171 HydrophobicContact CD2-CD2 3.71Å; L161-Y171 HydrophobicContact CD2-CE2 4.22Å; K164-Y171 HydrophobicContact CB-CE2 4.21Å; K164-Y171 WeakPolarHBondContact CE-OH 3.28Å; K164-Y171 HydrophobicContact CG-CE2 4.02Å; Y171-R173 VanDerWaalsContact C-N 3.28Å
172G95.4Very high96.3Very high29 Ų2942.8 Ų42.830%0.29928%0.277SS..EExtended strand (participates in β ladder)trans-72.2-29.717400000111.9K2K2-G172 PolarHBondContact O-N 3.08Å
173R97Very high96.3Very high56 Ų5639.9 Ų39.921%0.21126%0.256CS..EExtended strand (participates in β ladder)trans-155.4140.5-178-160.2167-159.1-175.47.3111.6I3 L4 Y171 F175 G193 S240I3-R173 WeakPolarHBondContact CA-O 3.37Å; I3-R173 HydrophobicContact CG1-CB 4.41Å; L4-R173 PolarHBondContact N-O 2.92Å; Y171-R173 VanDerWaalsContact C-N 3.28Å; R173-F175 HydrophobicContact CB-CE2 4.37Å; R173-F175 HydrophobicContact CG-CD2 4.34Å; R173-F175 HydrophobicContact CG-CE2 3.8Å; R173-F175 HydrophobicContact CG-CZ 4.48Å; R173-G193 WeakPolarHBondContact CG-O 3.47Å; R173-G193 PolarHBondContact NE-O 3.48Å; R173-G193 PolarHBondContact NH2-O 3.16Å; R173-S240 PolarHBondContact NH1-OG 3.45Å
174V98.6Very high96.3Very high6 Ų635.7 Ų35.74%0.03624%0.238CC..EExtended strand (participates in β ladder)trans-113.7132.2173.1-175.40000110L4 V6 L161 L190 D194 V195L4-V174 HydrophobicContact CB-CG1 4.47Å; L4-V174 HydrophobicContact CB-CG2 4.3Å; L4-V174 HydrophobicContact CD2-CG1 4.16Å; L4-V174 HydrophobicContact CD2-CG2 4.35Å; L4-V174 HydrophobicContact CG-CG1 4.47Å; L4-V174 WeakPolarHBondContact O-CA 3.4Å; V6-V174 HydrophobicContact CG2-CG1 3.91Å; L161-V174 HydrophobicContact CD2-CG2 4.13Å; V174-L190 HydrophobicContact CB-CD2 3.95Å; V174-L190 HydrophobicContact CG1-CD2 3.75Å; V174-D194 HydrophobicContact CB-CB 4.36Å; V174-D194 PolarHBondContact N-OD1 2.73Å; V174-D194 WeakPolarHBondContact O-CA 3.4Å; V174-D194 WeakPolarHBondContact O-CB 3.47Å; V174-V195 PolarHBondContact O-N 2.82Å
175F98.8Very high96.2Very high0 Ų034.2 Ų34.20%023%0.233CC..EExtended strand (participates in β ladder)trans-109.5116.5170.4-73.3-104.1000108.7I3 L4 M5 V6 R173 V195 M197 E236 S240I3-F175 HydrophobicContact CD1-CE2 4.43Å; I3-F175 HydrophobicContact CG2-CD2 3.49Å; I3-F175 VanDerWaalsContact CG2-CD2 3.49Å; I3-F175 HydrophobicContact CG2-CE2 3.65Å; L4-F175 PolarHBondContact O-N 3.3Å; M5-F175 HydrophobicContact CE-CB 3.86Å; M5-F175 HydrophobicContact CE-CG 4.39Å; M5-F175 HydrophobicContact SD-CB 3.5Å; M5-F175 VanDerWaalsContact SD-CB 3.5Å; M5-F175 HydrophobicContact SD-CD1 4.49Å; M5-F175 HydrophobicContact SD-CD2 4Å; M5-F175 HydrophobicContact SD-CG 3.76Å; V6-F175 PolarHBondContact N-O 3.26Å; R173-F175 HydrophobicContact CB-CE2 4.37Å; R173-F175 HydrophobicContact CG-CD2 4.34Å; R173-F175 HydrophobicContact CG-CE2 3.8Å; R173-F175 HydrophobicContact CG-CZ 4.48Å; F175-V195 WeakPolarHBondContact CA-O 3.05Å; F175-V195 HydrophobicContact CD1-CB 3.65Å; F175-V195 HydrophobicContact CD1-CG1 3.98Å; F175-V195 HydrophobicContact CD1-CG2 4.06Å; F175-V195 HydrophobicContact CE1-CB 3.75Å; F175-V195 HydrophobicContact CE1-CG1 4.02Å; F175-V195 HydrophobicContact CE1-CG2 3.64Å; F175-V195 HydrophobicContact CG-CB 4.23Å; F175-V195 HydrophobicContact CZ-CB 4.39Å; F175-V195 HydrophobicContact CZ-CG2 3.88Å; F175-M197 HydrophobicContact CD1-CG 4.4Å; F175-M197 HydrophobicContact CD1-SD 3.8Å; F175-M197 HydrophobicContact CE1-SD 4.32Å; F175-E236 HydrophobicContact CE1-CB 4.34Å; F175-S240 WeakPolarHBondContact CZ-OG 3.43Å
176Y98.8Very high96.2Very high0 Ų032 Ų320%022%0.215CC..EExtended strand (participates in β ladder)trans-101.6117.8170.3-169.2-75.8000110V6 K153 L157 D183 P186 V195 V196 M197V6-Y176 HydrophobicContact CB-CD2 3.93Å; V6-Y176 HydrophobicContact CB-CE2 4.48Å; V6-Y176 HydrophobicContact CG1-CD2 3.61Å; V6-Y176 HydrophobicContact CG1-CE2 3.69Å; K153-Y176 WeakPolarHBondContact CD-OH 3.25Å; L157-Y176 HydrophobicContact CD2-CD2 4.08Å; Y176-D183 HydrophobicContact CE1-CB 3.72Å; Y176-D183 PolarHBondContact OH-OD1 3.23Å; Y176-P186 HydrophobicContact CD1-CB 4.43Å; Y176-P186 HydrophobicContact CD2-CB 3.56Å; Y176-P186 HydrophobicContact CD2-CG 4.25Å; Y176-P186 HydrophobicContact CE1-CB 4.27Å; Y176-P186 HydrophobicContact CE1-CG 4.36Å; Y176-P186 HydrophobicContact CE2-CB 3.31Å; Y176-P186 HydrophobicContact CE2-CG 3.48Å; Y176-P186 VanDerWaalsContact CE2-CG 3.48Å; Y176-P186 HydrophobicContact CG-CB 4.12Å; Y176-V195 PolarHBondContact N-O 3.36Å; Y176-V196 CarbonylContact O-C 3.54Å; Y176-V196 WeakPolarHBondContact O-CA 3.34Å; Y176-M197 PolarHBondContact O-N 3.07Å
177V98.9Very high96.1Very high0 Ų025.4 Ų25.40%018%0.179CC..EExtended strand (participates in β ladder)trans-114.1124.7-178.1-171.70000109.2M5 V6 F7 D8 T12 M197 W227 I233M5-V177 HydrophobicContact CE-CG2 3.94Å; V6-V177 PolarHBondContact O-N 3.17Å; F7-V177 HydrophobicContact CD1-CB 3.59Å; F7-V177 HydrophobicContact CD1-CG1 3.92Å; F7-V177 HydrophobicContact CD1-CG2 3.92Å; F7-V177 HydrophobicContact CE1-CB 3.83Å; F7-V177 HydrophobicContact CE1-CG1 4.01Å; F7-V177 HydrophobicContact CE1-CG2 3.68Å; F7-V177 HydrophobicContact CZ-CG2 4.41Å; D8-V177 PolarHBondContact N-O 3.3Å; T12-V177 HydrophobicContact CG2-CB 4.44Å; T12-V177 HydrophobicContact CG2-CG1 3.86Å; V177-M197 WeakPolarHBondContact CA-O 3.26Å; V177-M197 HydrophobicContact CG1-CB 4.42Å; V177-M197 HydrophobicContact CG2-CB 4.18Å; V177-W227 HydrophobicContact CG1-CZ2 4.05Å; V177-I233 HydrophobicContact CG1-CD1 3.48Å; V177-I233 VanDerWaalsContact CG1-CD1 3.48Å; V177-I233 HydrophobicContact CG1-CG1 4.37Å; V177-I233 HydrophobicContact CG2-CD1 4.46Å; V177-I233 HydrophobicContact CG2-CG2 4.13Å
178G98.5Very high96.1Very high0 Ų025.3 Ų25.30%016%0.16CC..EExtended strand (participates in β ladder)trans-164.6175.917800000112.7T12 D183 M197 P198 R199T12-G178 WeakPolarHBondContact OG1-CA 3.29Å; G178-D183 WeakPolarHBondContact CA-OD2 3.48Å; G178-M197 PolarHBondContact N-O 3.01Å; G178-P198 CarbonylContact O-C 3.59Å; G178-P198 WeakPolarHBondContact O-CA 3.46Å; G178-R199 PolarHBondContact O-N 3.38Å
179D98.2Very high96.1Very high15 Ų1523.8 Ų23.88%0.0814%0.138CC..  trans-122.5-29.9-177.380.3-62.9000112.5H11 T12 D183 R199 Y202 T203 L204H11-D179 HydrophobicContact CB-CB 4.31Å; T12-D179 PolarHBondContact OG1-N 3.37Å; D179-D183 PolarHBondContact N-OD2 3.06Å; D179-D183 VanDerWaalsContact N-OD2 3.1Å; D179-R199 HydrophobicContact CB-CB 3.65Å; D179-Y202 HydrophobicContact CB-CD1 3.81Å; D179-Y202 HydrophobicContact CB-CG 3.94Å; D179-Y202 VanDerWaalsContact O-CB 3.23Å; D179-Y202 WeakPolarHBondContact O-CB 3.37Å; D179-Y202 WeakPolarHBondContact OD2-CD1 3.43Å; D179-T203 PolarHBondContact O-N 3.43Å; D179-T203 VanDerWaalsContact O-N 3.13Å; D179-L204 VanDerWaalsContact O-CB 3.3Å; D179-L204 WeakPolarHBondContact O-CB 3.38Å; D179-L204 PolarHBondContact O-N 3.42Å
180G95.1Very high96.2Very high7 Ų721.5 Ų21.57%0.07213%0.127CC..SBendtrans-97176.1-156.800000115.5N182 D183 L204G180-N182 VanDerWaalsContact C-N 3.31Å; G180-N182 WeakPolarHBondContact CA-OD1 3.5Å; G180-D183 PolarHBondContact N-OD2 2.92Å; G180-D183 PolarHBondContact O-N 3.11Å; G180-L204 WeakPolarHBondContact O-CB 3.38Å
181G93.5Very high96.2Very high23 Ų2319.8 Ų19.824%0.23712%0.12CC..SBendtrans-70.2-28.4175.900000113.8D183 L184 R207G181-D183 VanDerWaalsContact C-N 3.25Å; G181-D183 PolarHBondContact O-N 3.45Å; G181-L184 PolarHBondContact O-N 3.13Å; G181-R207 PolarHBondContact O-NH1 3.04Å
182N92.8Very high96.1Very high40 Ų4022.6 Ų22.621%0.21415%0.147CC..THydrogen-bonded Turntrans-65.2-23.9173.653.1-27.7000112.8D99 K153 G180 L184D99-N182 PolarHBondContact OD2-ND2 3.22Å; K153-N182 VanDerWaalsContact CE-ND2 3.3Å; K153-N182 WeakPolarHBondContact CE-ND2 3.38Å; K153-N182 PolarHBondContact NZ-ND2 3.25Å; G180-N182 VanDerWaalsContact C-N 3.31Å; G180-N182 WeakPolarHBondContact CA-OD1 3.5Å; N182-L184 VanDerWaalsContact C-N 3.34Å
183D96.9Very high96Very high0 Ų023.1 Ų23.10%015%0.152CC..THydrogen-bonded Turntrans-83.3-6.3178.3-64.7-44.2000114.7K153 Y176 G178 D179 G180 G181 C185 P186 L204K153-D183 WeakPolarHBondContact CD-OD1 3.31Å; K153-D183 IonicContact NZ-OD1 2.65Å; K153-D183 PolarHBondContact NZ-OD1 3.19Å; Y176-D183 HydrophobicContact CE1-CB 3.72Å; Y176-D183 PolarHBondContact OH-OD1 3.23Å; G178-D183 WeakPolarHBondContact CA-OD2 3.48Å; D179-D183 PolarHBondContact N-OD2 3.06Å; D179-D183 VanDerWaalsContact N-OD2 3.1Å; G180-D183 PolarHBondContact N-OD2 2.92Å; G180-D183 PolarHBondContact O-N 3.11Å; G181-D183 VanDerWaalsContact C-N 3.25Å; G181-D183 PolarHBondContact O-N 3.45Å; D183-C185 VanDerWaalsContact C-N 3.33Å; D183-C185 PolarHBondContact O-N 2.79Å; D183-P186 WeakPolarHBondContact O-CD 3.06Å; D183-L204 HydrophobicContact CB-CD1 4.14Å; D183-L204 HydrophobicContact CB-CD2 3.69Å; D183-L204 HydrophobicContact CB-CG 4.35Å
184L95.9Very high96Very high27 Ų2721.3 Ų21.314%0.14115%0.147CC..Hα-helixtrans-70.5-32.6179.1-178.464000111.9G181 N182 A187 F188 L204 R207 L208 L211G181-L184 PolarHBondContact O-N 3.13Å; N182-L184 VanDerWaalsContact C-N 3.34Å; L184-A187 WeakPolarHBondContact O-CB 3.36Å; L184-A187 PolarHBondContact O-N 3.03Å; L184-F188 HydrophobicContact CD1-CE2 4.19Å; L184-F188 HydrophobicContact CD1-CZ 4.27Å; L184-F188 HydrophobicContact CD2-CE2 4.31Å; L184-F188 HydrophobicContact CG-CE2 3.81Å; L184-F188 HydrophobicContact CG-CZ 4.27Å; L184-F188 VanDerWaalsContact O-CD2 3.28Å; L184-F188 WeakPolarHBondContact O-CD2 3.29Å; L184-F188 WeakPolarHBondContact O-CE2 3.38Å; L184-L204 HydrophobicContact CB-CD1 3.95Å; L184-L204 HydrophobicContact CD1-CD1 4.1Å; L184-R207 HydrophobicContact CD1-CB 4.48Å; L184-R207 HydrophobicContact CD2-CB 4.25Å; L184-L208 HydrophobicContact CD1-CD2 3.75Å; L184-L208 HydrophobicContact CD1-CG 4.29Å; L184-L211 HydrophobicContact CD1-CD1 3.9Å; L184-L211 HydrophobicContact CD2-CD1 4.45Å
185C95.1Very high96Very high18 Ų1821 Ų2112%0.12215%0.145CC..Hα-helixtrans-65.4-46.6-175.3-1640000112.8K154 D183 A187 F188K154-C185 HydrophobicContact CB-CB 4.07Å; K154-C185 WeakPolarHBondContact CB-SG 3.25Å; D183-C185 VanDerWaalsContact C-N 3.33Å; D183-C185 PolarHBondContact O-N 2.79Å; C185-A187 PolarHBondContact O-N 3.1Å; C185-F188 PolarHBondContact O-N 3.02Å; C185-F188 VanDerWaalsContact O-N 3.17Å
186P96Very high96Very high0 Ų021 Ų210%015%0.145CC..Hα-helixtrans-54.1-35.5173.4-29.635.7000114.5K153 L157 Y176 D183 F188 C189K153-P186 HydrophobicContact CB-CG 3.49Å; K153-P186 VanDerWaalsContact CB-CG 3.49Å; L157-P186 HydrophobicContact CD2-CB 4.36Å; Y176-P186 HydrophobicContact CD1-CB 4.43Å; Y176-P186 HydrophobicContact CD2-CB 3.56Å; Y176-P186 HydrophobicContact CD2-CG 4.25Å; Y176-P186 HydrophobicContact CE1-CB 4.27Å; Y176-P186 HydrophobicContact CE1-CG 4.36Å; Y176-P186 HydrophobicContact CE2-CB 3.31Å; Y176-P186 HydrophobicContact CE2-CG 3.48Å; Y176-P186 VanDerWaalsContact CE2-CG 3.48Å; Y176-P186 HydrophobicContact CG-CB 4.12Å; D183-P186 WeakPolarHBondContact O-CD 3.06Å; P186-F188 PolarHBondContact O-N 3.11Å; P186-C189 PolarHBondContact O-N 2.9Å; P186-C189 PolarHBondContact O-SG 3Å
187A95.4Very high96Very high0 Ų021 Ų210%015%0.145CC..Hα-helixtrans-56-26.3179.600000113.4L184 C185 V196 L208 V220L184-A187 WeakPolarHBondContact O-CB 3.36Å; L184-A187 PolarHBondContact O-N 3.03Å; C185-A187 PolarHBondContact O-N 3.1Å; A187-V196 HydrophobicContact CB-CG1 4.34Å; A187-V196 HydrophobicContact CB-CG2 3.84Å; A187-L208 HydrophobicContact CB-CD2 4.36Å; A187-V220 HydrophobicContact CB-CG1 4.18Å; A187-V220 HydrophobicContact CB-CG2 3.97Å; A187-V220 WeakPolarHBondContact O-CG1 3.47Å
188F93.9Very high96Very high68 Ų6821 Ų2130%0.29815%0.145SC..THydrogen-bonded Turntrans-84.9-8.5-179.1-62.4-68.4000115.2L184 C185 P186 L211 V220L184-F188 HydrophobicContact CD1-CE2 4.19Å; L184-F188 HydrophobicContact CD1-CZ 4.27Å; L184-F188 HydrophobicContact CD2-CE2 4.31Å; L184-F188 HydrophobicContact CG-CE2 3.81Å; L184-F188 HydrophobicContact CG-CZ 4.27Å; L184-F188 VanDerWaalsContact O-CD2 3.28Å; L184-F188 WeakPolarHBondContact O-CD2 3.29Å; L184-F188 WeakPolarHBondContact O-CE2 3.38Å; C185-F188 PolarHBondContact O-N 3.02Å; C185-F188 VanDerWaalsContact O-N 3.17Å; P186-F188 PolarHBondContact O-N 3.11Å; F188-L211 HydrophobicContact CE1-CD1 4.34Å; F188-L211 HydrophobicContact CZ-CD1 3.9Å; F188-V220 HydrophobicContact CD1-CG2 4.01Å; F188-V220 HydrophobicContact CE1-CG2 3.86Å
189C94.1Very high96Very high37 Ų3722.1 Ų22.125%0.2515%0.149CC..THydrogen-bonded Turntrans-98.5-6.1171.863.80000113.5K154 E158 P186K154-C189 HydrophobicContact CD-CB 4.37Å; K154-C189 HydrophobicContact CG-CB 4.16Å; E158-C189 HydrophobicContact CG-CB 3.83Å; P186-C189 PolarHBondContact O-N 2.9Å; P186-C189 PolarHBondContact O-SG 3Å
190L96.1Very high96Very high7 Ų727.1 Ų27.14%0.03717%0.172CC..  trans-81.6142.7-179.2-64.5172.4000111.6L157 V174 D194 V196 A222L157-L190 HydrophobicContact CD2-CD2 4.01Å; V174-L190 HydrophobicContact CB-CD2 3.95Å; V174-L190 HydrophobicContact CG1-CD2 3.75Å; L190-D194 HydrophobicContact CB-CB 3.9Å; L190-D194 HydrophobicContact CD2-CB 4.09Å; L190-D194 HydrophobicContact CG-CB 4.45Å; L190-V196 HydrophobicContact CD1-CG2 3.38Å; L190-A222 HydrophobicContact CB-CB 3.72Å; L190-A222 HydrophobicContact CD1-CB 4.43Å
191S94.6Very high96Very high61 Ų6128.6 Ų28.643%0.42719%0.187SC..  trans-82.7173.3-179.7780000112.1G193 D194 A222S191-G193 PolarHBondContact O-N 3.13Å; S191-G193 PolarHBondContact OG-N 3.26Å; S191-D194 WeakPolarHBondContact CA-OD2 3.35Å; S191-D194 VanDerWaalsContact CB-OD2 3.31Å; S191-D194 WeakPolarHBondContact CB-OD2 3.25Å; S191-D194 PolarHBondContact N-OD2 3.41Å; S191-D194 WeakPolarHBondContact O-CB 3.45Å; S191-D194 PolarHBondContact O-N 3.19Å; S191-D194 VanDerWaalsContact O-N 3.12Å; S191-D194 VanDerWaalsContact OG-CG 3.32Å; S191-D194 PolarHBondContact OG-OD2 3.21Å; S191-A222 WeakPolarHBondContact O-CA 3.43Å; S191-A222 WeakPolarHBondContact O-CB 3.47Å; S191-A222 PolarHBondContact O-N 3.28Å
192A94.2Very high96.3Very high80 Ų8030.9 Ų30.966%0.66119%0.189SC*.THydrogen-bonded Turntrans-66.5-18.1175.800000114.2D194 S221A192-D194 VanDerWaalsContact C-N 3.35Å; A192-S221 WeakPolarHBondContact CA-O 3.41Å
193G93.9Very high96.5Very high40 Ų4032 Ų3241%0.41220%0.198SC..THydrogen-bonded Turntrans-77.7-23.3173.200000113R173 S191R173-G193 WeakPolarHBondContact CG-O 3.47Å; R173-G193 PolarHBondContact NE-O 3.48Å; R173-G193 PolarHBondContact NH2-O 3.16Å; S191-G193 PolarHBondContact O-N 3.13Å; S191-G193 PolarHBondContact OG-N 3.26Å
194D97.7Very high96.5Very high18 Ų1832 Ų3210%0.09620%0.198CC..SBendtrans-84.3170.2-173.8-59.9-43.9000112.4V174 L190 S191 A192 A222 K223V174-D194 HydrophobicContact CB-CB 4.36Å; V174-D194 PolarHBondContact N-OD1 2.73Å; V174-D194 WeakPolarHBondContact O-CA 3.4Å; V174-D194 WeakPolarHBondContact O-CB 3.47Å; L190-D194 HydrophobicContact CB-CB 3.9Å; L190-D194 HydrophobicContact CD2-CB 4.09Å; L190-D194 HydrophobicContact CG-CB 4.45Å; S191-D194 WeakPolarHBondContact CA-OD2 3.35Å; S191-D194 VanDerWaalsContact CB-OD2 3.31Å; S191-D194 WeakPolarHBondContact CB-OD2 3.25Å; S191-D194 PolarHBondContact N-OD2 3.41Å; S191-D194 WeakPolarHBondContact O-CB 3.45Å; S191-D194 PolarHBondContact O-N 3.19Å; S191-D194 VanDerWaalsContact O-N 3.12Å; S191-D194 VanDerWaalsContact OG-CG 3.32Å; S191-D194 PolarHBondContact OG-OD2 3.21Å; A192-D194 VanDerWaalsContact C-N 3.35Å; D194-A222 HydrophobicContact CB-CB 4.33Å; D194-K223 PolarHBondContact O-N 3.16Å
195V98.2Very high96.6Very high0 Ų031.8 Ų31.80%020%0.197CC..EExtended strand (participates in β ladder)trans-128.2132.7-176.7-172.10000110.3V174 F175 Y176 M197 K223 I225V174-V195 PolarHBondContact O-N 2.82Å; F175-V195 WeakPolarHBondContact CA-O 3.05Å; F175-V195 HydrophobicContact CD1-CB 3.65Å; F175-V195 HydrophobicContact CD1-CG1 3.98Å; F175-V195 HydrophobicContact CD1-CG2 4.06Å; F175-V195 HydrophobicContact CE1-CB 3.75Å; F175-V195 HydrophobicContact CE1-CG1 4.02Å; F175-V195 HydrophobicContact CE1-CG2 3.64Å; F175-V195 HydrophobicContact CG-CB 4.23Å; F175-V195 HydrophobicContact CZ-CB 4.39Å; F175-V195 HydrophobicContact CZ-CG2 3.88Å; Y176-V195 PolarHBondContact N-O 3.36Å; V195-M197 HydrophobicContact CG1-CG 3.64Å; V195-M197 HydrophobicContact CG1-SD 4.39Å; V195-K223 CarbonylContact C-O 3.08Å; V195-K223 VanDerWaalsContact CA-O 3.31Å; V195-K223 WeakPolarHBondContact CA-O 3.5Å; V195-I225 HydrophobicContact CG1-CB 4.27Å; V195-I225 HydrophobicContact CG1-CD1 3.64Å; V195-I225 HydrophobicContact CG1-CG1 3.83Å
196V98.3Very high96.6Very high0 Ų036.2 Ų36.20%021%0.214CC..EExtended strand (participates in β ladder)trans-106.7123.3165.2-1800000107.9Y176 A187 L190 P198 L204 L208 V220 A222 K223 V224 I225Y176-V196 CarbonylContact O-C 3.54Å; Y176-V196 WeakPolarHBondContact O-CA 3.34Å; A187-V196 HydrophobicContact CB-CG1 4.34Å; A187-V196 HydrophobicContact CB-CG2 3.84Å; L190-V196 HydrophobicContact CD1-CG2 3.38Å; V196-P198 VanDerWaalsContact O-CD 3.23Å; V196-P198 WeakPolarHBondContact O-CD 3.46Å; V196-L204 HydrophobicContact CG1-CD2 4.31Å; V196-L208 HydrophobicContact CG1-CD1 3.74Å; V196-V220 HydrophobicContact CG2-CG1 4.4Å; V196-A222 HydrophobicContact CG2-CB 3.9Å; V196-K223 PolarHBondContact N-O 2.93Å; V196-V224 CarbonylContact O-C 3.58Å; V196-V224 WeakPolarHBondContact O-CA 3.45Å; V196-I225 PolarHBondContact O-N 3.19Å
197M98.6Very high96.6Very high1 Ų141.5 Ų41.51%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-11290.6179.6-56.7-166.173.800109.8F175 Y176 V177 G178 V195 I225 W227 I233 E236F175-M197 HydrophobicContact CD1-CG 4.4Å; F175-M197 HydrophobicContact CD1-SD 3.8Å; F175-M197 HydrophobicContact CE1-SD 4.32Å; Y176-M197 PolarHBondContact O-N 3.07Å; V177-M197 WeakPolarHBondContact CA-O 3.26Å; V177-M197 HydrophobicContact CG1-CB 4.42Å; V177-M197 HydrophobicContact CG2-CB 4.18Å; G178-M197 PolarHBondContact N-O 3.01Å; V195-M197 HydrophobicContact CG1-CG 3.64Å; V195-M197 HydrophobicContact CG1-SD 4.39Å; M197-I225 VanDerWaalsContact CA-O 3.23Å; M197-I225 WeakPolarHBondContact CA-O 3.46Å; M197-I225 HydrophobicContact CE-CB 4.29Å; M197-I225 HydrophobicContact CE-CG2 4.13Å; M197-I225 HydrophobicContact CG-CB 4.47Å; M197-W227 VanDerWaalsContact C-CD1 3.41Å; M197-W227 HydrophobicContact CE-CB 4.38Å; M197-W227 PolarHBondContact O-NE1 2.94Å; M197-I233 HydrophobicContact CE-CB 4.31Å; M197-I233 HydrophobicContact CE-CG1 4.04Å; M197-I233 HydrophobicContact SD-CB 4.37Å; M197-I233 HydrophobicContact SD-CG1 4.31Å; M197-I233 HydrophobicContact SD-CG2 3.98Å; M197-E236 HydrophobicContact CE-CB 4.12Å; M197-E236 HydrophobicContact CE-CG 3.89Å; M197-E236 HydrophobicContact SD-CB 4.47Å
198P98.5Very high96.5Very high0 Ų041.9 Ų41.90%024%0.236CC..EExtended strand (participates in β ladder)trans-78.8139.4176.533.3-36.4000111.7G178 V196 Q200 L204 D205 L208 V224 P226 W227G178-P198 CarbonylContact O-C 3.59Å; G178-P198 WeakPolarHBondContact O-CA 3.46Å; V196-P198 VanDerWaalsContact O-CD 3.23Å; V196-P198 WeakPolarHBondContact O-CD 3.46Å; P198-Q200 PolarHBondContact O-N 3.44Å; P198-L204 HydrophobicContact CB-CB 4.07Å; P198-L204 HydrophobicContact CB-CD2 3.8Å; P198-L204 HydrophobicContact CB-CG 3.76Å; P198-D205 HydrophobicContact CB-CB 3.95Å; P198-D205 HydrophobicContact CG-CB 4.31Å; P198-L208 HydrophobicContact CB-CD1 3.95Å; P198-L208 HydrophobicContact CG-CD1 3.9Å; P198-V224 HydrophobicContact CG-CG1 3.84Å; P198-P226 HydrophobicContact CG-CB 4.3Å; P198-P226 HydrophobicContact CG-CG 4.25Å; P198-P226 VanDerWaalsContact O-CA 3.27Å; P198-P226 WeakPolarHBondContact O-CA 3.31Å; P198-W227 VanDerWaalsContact O-CD1 3.22Å; P198-W227 PolarHBondContact O-N 3.24Å
199R98.5Very high96.5Very high23 Ų2340.7 Ų40.79%0.08723%0.234CC..BIsolated β-bridgetrans-65.2123.7172-166.3173.2-179.6179.4-2.8110.2H11 D15 G178 D179 G201 Y202 D205 W227H11-R199 WeakPolarHBondContact O-CD 3.47Å; H11-R199 PolarHBondContact O-NH1 3.41Å; D15-R199 IonicContact OD1-CZ 3.46Å; D15-R199 IonicContact OD1-NH1 3.99Å; D15-R199 PolarHBondContact OD1-NH1 2.79Å; D15-R199 IonicContact OD1-NH2 3.23Å; D15-R199 PolarHBondContact OD1-NH2 2.86Å; G178-R199 PolarHBondContact O-N 3.38Å; D179-R199 HydrophobicContact CB-CB 3.65Å; R199-G201 PolarHBondContact O-N 3.12Å; R199-Y202 HydrophobicContact CB-CD2 3.99Å; R199-Y202 HydrophobicContact CB-CG 4.21Å; R199-Y202 VanDerWaalsContact CD-CE2 3.46Å; R199-Y202 HydrophobicContact CG-CD2 3.61Å; R199-Y202 HydrophobicContact CG-CE2 3.88Å; R199-Y202 HydrophobicContact CG-CG 4.28Å; R199-Y202 PolarHBondContact NH1-OH 3.16Å; R199-Y202 WeakPolarHBondContact O-CB 3.26Å; R199-Y202 PolarHBondContact O-N 3.01Å; R199-Y202 VanDerWaalsContact O-N 3.13Å; R199-D205 VanDerWaalsContact O-CB 3.31Å; R199-D205 WeakPolarHBondContact O-CB 3.43Å; R199-W227 HydrophobicContact CB-CD2 4.31Å; R199-W227 HydrophobicContact CB-CH2 3.99Å; R199-W227 HydrophobicContact CB-CZ2 3.49Å; R199-W227 VanDerWaalsContact CB-CZ2 3.49Å; R199-W227 VanDerWaalsContact CD-CH2 3.44Å; R199-W227 HydrophobicContact CG-CD2 4.27Å; R199-W227 HydrophobicContact CG-CE3 4.2Å; R199-W227 HydrophobicContact CG-CH2 3.62Å; R199-W227 HydrophobicContact CG-CZ2 3.68Å; R199-W227 HydrophobicContact CG-CZ3 3.86Å; R199-W227 VanDerWaalsContact N-NE1 3.2Å
200Q98.2Very high96.3Very high119 Ų11946.5 Ų46.556%0.55625%0.251SS*.THydrogen-bonded Turntrans-59.1130.5-174.7-172.1178.31600111.2P198 Y202 W227P198-Q200 PolarHBondContact O-N 3.44Å; Q200-Y202 VanDerWaalsContact C-N 3.26Å; Q200-Y202 PolarHBondContact O-N 3.2Å; Q200-W227 WeakPolarHBondContact CB-O 3.28Å; Q200-W227 PolarHBondContact N-O 2.76Å
201G96.6Very high96Very high38 Ų3848.2 Ų48.239%0.39226%0.26SS..THydrogen-bonded Turntrans82.9-8.7179.400000115.2R199 D205 K206R199-G201 PolarHBondContact O-N 3.12Å; G201-D205 PolarHBondContact N-OD2 2.97Å; G201-K206 WeakPolarHBondContact O-CE 3.37Å; G201-K206 PolarHBondContact O-NZ 2.87Å
202Y97.8Very high95.5Very high71 Ų7153 Ų5328%0.27827%0.269SS..SBendtrans-86.7-178.8176.7-75.6-110.3000112H11 D179 R199 Q200 L204 K206H11-Y202 HydrophobicContact CB-CD1 4.45Å; H11-Y202 HydrophobicContact CB-CE1 3.8Å; H11-Y202 AromaticContact CG-CE1 3.93Å; D179-Y202 HydrophobicContact CB-CD1 3.81Å; D179-Y202 HydrophobicContact CB-CG 3.94Å; D179-Y202 VanDerWaalsContact O-CB 3.23Å; D179-Y202 WeakPolarHBondContact O-CB 3.37Å; D179-Y202 WeakPolarHBondContact OD2-CD1 3.43Å; R199-Y202 HydrophobicContact CB-CD2 3.99Å; R199-Y202 HydrophobicContact CB-CG 4.21Å; R199-Y202 VanDerWaalsContact CD-CE2 3.46Å; R199-Y202 HydrophobicContact CG-CD2 3.61Å; R199-Y202 HydrophobicContact CG-CE2 3.88Å; R199-Y202 HydrophobicContact CG-CG 4.28Å; R199-Y202 PolarHBondContact NH1-OH 3.16Å; R199-Y202 WeakPolarHBondContact O-CB 3.26Å; R199-Y202 PolarHBondContact O-N 3.01Å; R199-Y202 VanDerWaalsContact O-N 3.13Å; Q200-Y202 VanDerWaalsContact C-N 3.26Å; Q200-Y202 PolarHBondContact O-N 3.2Å; Y202-L204 PolarHBondContact O-N 2.99Å; Y202-K206 WeakPolarHBondContact O-CG 3.37Å; Y202-K206 PolarHBondContact O-N 3.33Å
203T97.3Very high94.9Very high63 Ų6354.5 Ų54.539%0.38727%0.266SS..Hα-helixtrans-66.4-39.1-170.1-64.20000112.1D179 R207D179-T203 PolarHBondContact O-N 3.43Å; D179-T203 VanDerWaalsContact O-N 3.13Å; T203-R207 HydrophobicContact CG2-CG 4.29Å; T203-R207 WeakPolarHBondContact O-CB 3.4Å; T203-R207 VanDerWaalsContact O-CG 3.26Å; T203-R207 WeakPolarHBondContact O-CG 3.32Å; T203-R207 PolarHBondContact O-N 3.5Å
204L97.3Very high94.2Very high0 Ų058.7 Ų58.70%027%0.274CS..Hα-helixtrans-61.7-50.1178.6-173.958.4000111D179 G180 D183 L184 V196 P198 Y202 K206 R207 L208D179-L204 VanDerWaalsContact O-CB 3.3Å; D179-L204 WeakPolarHBondContact O-CB 3.38Å; D179-L204 PolarHBondContact O-N 3.42Å; G180-L204 WeakPolarHBondContact O-CB 3.38Å; D183-L204 HydrophobicContact CB-CD1 4.14Å; D183-L204 HydrophobicContact CB-CD2 3.69Å; D183-L204 HydrophobicContact CB-CG 4.35Å; L184-L204 HydrophobicContact CB-CD1 3.95Å; L184-L204 HydrophobicContact CD1-CD1 4.1Å; V196-L204 HydrophobicContact CG1-CD2 4.31Å; P198-L204 HydrophobicContact CB-CB 4.07Å; P198-L204 HydrophobicContact CB-CD2 3.8Å; P198-L204 HydrophobicContact CB-CG 3.76Å; Y202-L204 PolarHBondContact O-N 2.99Å; L204-K206 PolarHBondContact O-N 2.89Å; L204-R207 PolarHBondContact O-N 3.03Å; L204-R207 VanDerWaalsContact O-N 3.1Å; L204-L208 HydrophobicContact CD1-CD1 3.98Å; L204-L208 HydrophobicContact CD1-CG 4.1Å; L204-L208 HydrophobicContact CD2-CD1 4.41Å; L204-L208 HydrophobicContact CG-CD1 3.82Å; L204-L208 HydrophobicContact CG-CG 4.33Å; L204-L208 WeakPolarHBondContact O-CG 3.25Å; L204-L208 PolarHBondContact O-N 3.17Å
205D97.6Very high91.9Very high24 Ų2468 Ų6813%0.12832%0.317CS..Hα-helixtrans-55.8-49.5178.8175.940.1000111.6P198 R199 G201 R207 L208 T209P198-D205 HydrophobicContact CB-CB 3.95Å; P198-D205 HydrophobicContact CG-CB 4.31Å; R199-D205 VanDerWaalsContact O-CB 3.31Å; R199-D205 WeakPolarHBondContact O-CB 3.43Å; G201-D205 PolarHBondContact N-OD2 2.97Å; D205-R207 VanDerWaalsContact C-N 3.31Å; D205-R207 PolarHBondContact O-N 3.47Å; D205-L208 PolarHBondContact O-N 2.8Å; D205-T209 WeakPolarHBondContact O-CB 3.36Å; D205-T209 PolarHBondContact O-N 3.21Å; D205-T209 PolarHBondContact O-OG1 3.44Å
206K96.4Very high89.9Confident111 Ų11170.5 Ų70.548%0.48334%0.343SS..Hα-helixtrans-60-39.7176.8-70.5167.4-180156.80112.4G201 Y202 L204 R210G201-K206 WeakPolarHBondContact O-CE 3.37Å; G201-K206 PolarHBondContact O-NZ 2.87Å; Y202-K206 WeakPolarHBondContact O-CG 3.37Å; Y202-K206 PolarHBondContact O-N 3.33Å; L204-K206 PolarHBondContact O-N 2.89Å; K206-R210 VanDerWaalsContact O-CG 3.25Å; K206-R210 WeakPolarHBondContact O-CG 3.34Å; K206-R210 PolarHBondContact O-N 2.89Å; K206-R210 VanDerWaalsContact O-N 3.16Å
207R95.1Very high87.7Confident110 Ų11078.9 Ų78.942%0.41539%0.388SS..Hα-helixtrans-72.3-43.5-179.6-74.5179.2-178.8-163.80.2111.8G181 L184 T203 L204 D205 R210 L211G181-R207 PolarHBondContact O-NH1 3.04Å; L184-R207 HydrophobicContact CD1-CB 4.48Å; L184-R207 HydrophobicContact CD2-CB 4.25Å; T203-R207 HydrophobicContact CG2-CG 4.29Å; T203-R207 WeakPolarHBondContact O-CB 3.4Å; T203-R207 VanDerWaalsContact O-CG 3.26Å; T203-R207 WeakPolarHBondContact O-CG 3.32Å; T203-R207 PolarHBondContact O-N 3.5Å; L204-R207 PolarHBondContact O-N 3.03Å; L204-R207 VanDerWaalsContact O-N 3.1Å; D205-R207 VanDerWaalsContact C-N 3.31Å; D205-R207 PolarHBondContact O-N 3.47Å; R207-R210 PolarHBondContact O-N 2.99Å; R207-L211 WeakPolarHBondContact O-CG 3.44Å; R207-L211 PolarHBondContact O-N 2.74Å
208L94.3Very high85.8Confident8 Ų882.9 Ų82.94%0.04242%0.415CS..Hα-helixtrans-65-40.9177.6-70.4173.2000111.6L184 A187 V196 P198 L204 D205 L211 R212 V220 V224L184-L208 HydrophobicContact CD1-CD2 3.75Å; L184-L208 HydrophobicContact CD1-CG 4.29Å; A187-L208 HydrophobicContact CB-CD2 4.36Å; V196-L208 HydrophobicContact CG1-CD1 3.74Å; P198-L208 HydrophobicContact CB-CD1 3.95Å; P198-L208 HydrophobicContact CG-CD1 3.9Å; L204-L208 HydrophobicContact CD1-CD1 3.98Å; L204-L208 HydrophobicContact CD1-CG 4.1Å; L204-L208 HydrophobicContact CD2-CD1 4.41Å; L204-L208 HydrophobicContact CG-CD1 3.82Å; L204-L208 HydrophobicContact CG-CG 4.33Å; L204-L208 WeakPolarHBondContact O-CG 3.25Å; L204-L208 PolarHBondContact O-N 3.17Å; D205-L208 PolarHBondContact O-N 2.8Å; L208-L211 PolarHBondContact O-N 2.8Å; L208-R212 PolarHBondContact O-N 3.34Å; L208-V220 HydrophobicContact CD2-CB 4.47Å; L208-V220 HydrophobicContact CD2-CG2 3.75Å; L208-V224 HydrophobicContact CB-CG1 4.4Å; L208-V224 HydrophobicContact CD1-CG1 3.91Å; L208-V224 HydrophobicContact CD1-CG2 4.37Å
209T92.4Very high84.7Confident43 Ų4387.1 Ų87.126%0.26445%0.445SS..Hα-helixtrans-59-48.3173.4-72.80000111.3D205 L211 R212 D213D205-T209 WeakPolarHBondContact O-CB 3.36Å; D205-T209 PolarHBondContact O-N 3.21Å; D205-T209 PolarHBondContact O-OG1 3.44Å; T209-L211 VanDerWaalsContact C-N 3.32Å; T209-L211 PolarHBondContact O-N 3.23Å; T209-R212 PolarHBondContact O-N 2.85Å; T209-D213 PolarHBondContact O-N 3.03Å; T209-D213 VanDerWaalsContact O-N 3.07Å
210R91Very high84.2Confident160 Ų16087.3 Ų87.360%0.60445%0.448SS*.Hα-helixtrans-61.6-36.9176.9-73.2171.7-174.4177.82.1113.5K206 R207 D213 Q214K206-R210 VanDerWaalsContact O-CG 3.25Å; K206-R210 WeakPolarHBondContact O-CG 3.34Å; K206-R210 PolarHBondContact O-N 2.89Å; K206-R210 VanDerWaalsContact O-N 3.16Å; R207-R210 PolarHBondContact O-N 2.99Å; R210-D213 PolarHBondContact O-N 3.29Å; R210-Q214 VanDerWaalsContact O-CG 3.25Å; R210-Q214 WeakPolarHBondContact O-CG 3.05Å; R210-Q214 PolarHBondContact O-N 3.13Å; R210-Q214 VanDerWaalsContact O-N 3.16Å
211L89.4Confident83.9Confident42 Ų4285.4 Ų85.422%0.2245%0.448CS..Hα-helixtrans-68-36.1177.6-75.5171.4000112.1L184 F188 R207 L208 T209L184-L211 HydrophobicContact CD1-CD1 3.9Å; L184-L211 HydrophobicContact CD2-CD1 4.45Å; F188-L211 HydrophobicContact CE1-CD1 4.34Å; F188-L211 HydrophobicContact CZ-CD1 3.9Å; R207-L211 WeakPolarHBondContact O-CG 3.44Å; R207-L211 PolarHBondContact O-N 2.74Å; L208-L211 PolarHBondContact O-N 2.8Å; T209-L211 VanDerWaalsContact C-N 3.32Å; T209-L211 PolarHBondContact O-N 3.23Å
212R83.9Confident83.9Confident163 Ų16383.8 Ų83.862%0.61543%0.431SS*.Hα-helixtrans-67.3-38.2174.7-176.8-174.662.1-127.7-8.2111.9L208 T209 Q214L208-R212 PolarHBondContact O-N 3.34Å; T209-R212 PolarHBondContact O-N 2.85Å; R212-Q214 VanDerWaalsContact C-N 3.29Å; R212-Q214 PolarHBondContact O-N 3.21Å
213D82.1Confident83.8Confident111 Ų11185.4 Ų85.459%0.59444%0.44SS*.Hα-helixtrans-78.3-15-177.7-58.1-16.6000112.6T209 R210T209-D213 PolarHBondContact O-N 3.03Å; T209-D213 VanDerWaalsContact O-N 3.07Å; R210-D213 PolarHBondContact O-N 3.29Å
214Q78.2Confident83.8Confident128 Ų12884.9 Ų84.960%0.59844%0.436SS*.SBendtrans-90.6111.3174.5-73.5173.76.100110.1R210 R212 G216R210-Q214 VanDerWaalsContact O-CG 3.25Å; R210-Q214 WeakPolarHBondContact O-CG 3.05Å; R210-Q214 PolarHBondContact O-N 3.13Å; R210-Q214 VanDerWaalsContact O-N 3.16Å; R212-Q214 VanDerWaalsContact C-N 3.29Å; R212-Q214 PolarHBondContact O-N 3.21Å; Q214-G216 PolarHBondContact O-N 3.08Å
215E51Low83.8Confident212 Ų21286 Ų8699%0.99144%0.442SS*.  trans-6593.1169.3-72.7-176.815900109.8
216G55.2Low83.8Confident53 Ų5387.8 Ų87.855%0.54646%0.455SS..SBendtrans-165.9160.3-177.700000114.6Q214 C218Q214-G216 PolarHBondContact O-N 3.08Å; G216-C218 PolarHBondContact O-N 3.45Å
217N52.2Low84Confident176 Ų17682.5 Ų82.594%0.94143%0.432SS*.SBendtrans-67.915.1-167.6-124.511.1000116.6
218C58.4Low84.1Confident86 Ų8680.6 Ų80.658%0.58144%0.435SS*.  trans-127.660.4-179-86.40000110.6G216G216-C218 PolarHBondContact O-N 3.45Å
219S76.2Confident84.2Confident88 Ų8881.3 Ų81.362%0.61544%0.441SS*.  trans-82.9145.7171.654.60000111
220V88.2Confident84.5Confident27 Ų2779.3 Ų79.316%0.16443%0.429CS..  trans-77.4124.4165.2169.10000107.3A187 F188 V196 L208 A222 V224A187-V220 HydrophobicContact CB-CG1 4.18Å; A187-V220 HydrophobicContact CB-CG2 3.97Å; A187-V220 WeakPolarHBondContact O-CG1 3.47Å; F188-V220 HydrophobicContact CD1-CG2 4.01Å; F188-V220 HydrophobicContact CE1-CG2 3.86Å; V196-V220 HydrophobicContact CG2-CG1 4.4Å; L208-V220 HydrophobicContact CD2-CB 4.47Å; L208-V220 HydrophobicContact CD2-CG2 3.75Å; V220-A222 HydrophobicContact CG1-CB 4.03Å; V220-V224 HydrophobicContact CG1-CG2 4.45Å
221S92.5Very high84.9Confident79 Ų7975.5 Ų75.555%0.55242%0.424SS*.  trans-72.7-34.4-179.9-60.50000112.4A192A192-S221 WeakPolarHBondContact CA-O 3.41Å
222A95.6Very high85.3Confident5 Ų576.3 Ų76.34%0.04143%0.428CS..SBendtrans-63.9150.7-178.500000113.1L190 S191 D194 V196 V220 V224L190-A222 HydrophobicContact CB-CB 3.72Å; L190-A222 HydrophobicContact CD1-CB 4.43Å; S191-A222 WeakPolarHBondContact O-CA 3.43Å; S191-A222 WeakPolarHBondContact O-CB 3.47Å; S191-A222 PolarHBondContact O-N 3.28Å; D194-A222 HydrophobicContact CB-CB 4.33Å; V196-A222 HydrophobicContact CG2-CB 3.9Å; V220-A222 HydrophobicContact CG1-CB 4.03Å; A222-V224 PolarHBondContact O-N 3.45Å
223K96.2Very high86Confident104 Ų10468.5 Ų68.545%0.45240%0.399SS..EExtended strand (participates in β ladder)trans-65.7126.7173-174.9-175.9173.1-158.40108.9D194 V195 V196 I225 E236D194-K223 PolarHBondContact O-N 3.16Å; V195-K223 CarbonylContact C-O 3.08Å; V195-K223 VanDerWaalsContact CA-O 3.31Å; V195-K223 WeakPolarHBondContact CA-O 3.5Å; V196-K223 PolarHBondContact N-O 2.93Å; K223-I225 HydrophobicContact CD-CD1 3.78Å; K223-I225 HydrophobicContact CD-CG1 4.01Å; K223-I225 VanDerWaalsContact CE-CD1 3.45Å; K223-I225 HydrophobicContact CG-CD1 4.24Å; K223-I225 HydrophobicContact CG-CG1 3.94Å; K223-I225 VanDerWaalsContact NZ-CD1 3.31Å; K223-E236 IonicContact NZ-OE2 2.99Å
224V96.9Very high86.8Confident52 Ų5264.1 Ų64.132%0.31538%0.375SS..EExtended strand (participates in β ladder)trans-96.9120.1177.1-177.80000109.8V196 P198 L208 V220 A222V196-V224 CarbonylContact O-C 3.58Å; V196-V224 WeakPolarHBondContact O-CA 3.45Å; P198-V224 HydrophobicContact CG-CG1 3.84Å; L208-V224 HydrophobicContact CB-CG1 4.4Å; L208-V224 HydrophobicContact CD1-CG1 3.91Å; L208-V224 HydrophobicContact CD1-CG2 4.37Å; V220-V224 HydrophobicContact CG1-CG2 4.45Å; A222-V224 PolarHBondContact O-N 3.45Å
225I97.7Very high87.8Confident23 Ų2362.7 Ų62.712%0.11837%0.368CS..  trans-128.396.6-179.9-50.5179.5000109.4V195 V196 M197 K223 E236V195-I225 HydrophobicContact CG1-CB 4.27Å; V195-I225 HydrophobicContact CG1-CD1 3.64Å; V195-I225 HydrophobicContact CG1-CG1 3.83Å; V196-I225 PolarHBondContact O-N 3.19Å; M197-I225 VanDerWaalsContact CA-O 3.23Å; M197-I225 WeakPolarHBondContact CA-O 3.46Å; M197-I225 HydrophobicContact CE-CB 4.29Å; M197-I225 HydrophobicContact CE-CG2 4.13Å; M197-I225 HydrophobicContact CG-CB 4.47Å; K223-I225 HydrophobicContact CD-CD1 3.78Å; K223-I225 HydrophobicContact CD-CG1 4.01Å; K223-I225 VanDerWaalsContact CE-CD1 3.45Å; K223-I225 HydrophobicContact CG-CD1 4.24Å; K223-I225 HydrophobicContact CG-CG1 3.94Å; K223-I225 VanDerWaalsContact NZ-CD1 3.31Å; I225-E236 HydrophobicContact CD1-CG 4.21Å; I225-E236 WeakPolarHBondContact CD1-OE2 3.49Å; I225-E236 HydrophobicContact CG2-CG 4.23Å
226P98Very high90Very high62 Ų6254.9 Ų54.940%0.40333%0.332SS..  trans-61143.9177.6-21.433.2000112P198P198-P226 HydrophobicContact CG-CB 4.3Å; P198-P226 HydrophobicContact CG-CG 4.25Å; P198-P226 VanDerWaalsContact O-CA 3.27Å; P198-P226 WeakPolarHBondContact O-CA 3.31Å
227W98.6Very high92.1Very high1 Ų152.4 Ų52.40%0.00431%0.306CS..BIsolated β-bridgetrans-124.8149.5177.364-84.7000111.5T12 T75 V177 M197 P198 R199 Q200 D232 I233T12-W227 HydrophobicContact CG2-CZ2 4.14Å; T75-W227 HydrophobicContact CG2-CH2 3.91Å; T75-W227 HydrophobicContact CG2-CZ3 3.56Å; V177-W227 HydrophobicContact CG1-CZ2 4.05Å; M197-W227 VanDerWaalsContact C-CD1 3.41Å; M197-W227 HydrophobicContact CE-CB 4.38Å; M197-W227 PolarHBondContact O-NE1 2.94Å; P198-W227 VanDerWaalsContact O-CD1 3.22Å; P198-W227 PolarHBondContact O-N 3.24Å; R199-W227 HydrophobicContact CB-CD2 4.31Å; R199-W227 HydrophobicContact CB-CH2 3.99Å; R199-W227 HydrophobicContact CB-CZ2 3.49Å; R199-W227 VanDerWaalsContact CB-CZ2 3.49Å; R199-W227 VanDerWaalsContact CD-CH2 3.44Å; R199-W227 HydrophobicContact CG-CD2 4.27Å; R199-W227 HydrophobicContact CG-CE3 4.2Å; R199-W227 HydrophobicContact CG-CH2 3.62Å; R199-W227 HydrophobicContact CG-CZ2 3.68Å; R199-W227 HydrophobicContact CG-CZ3 3.86Å; R199-W227 VanDerWaalsContact N-NE1 3.2Å; Q200-W227 WeakPolarHBondContact CB-O 3.28Å; Q200-W227 PolarHBondContact N-O 2.76Å; W227-D232 HydrophobicContact CB-CB 4.02Å; W227-I233 HydrophobicContact CB-CG1 3.98Å; W227-I233 HydrophobicContact CD2-CD1 3.81Å; W227-I233 HydrophobicContact CD2-CG1 4.16Å; W227-I233 HydrophobicContact CE3-CD1 4.13Å; W227-I233 HydrophobicContact CG-CD1 4.05Å; W227-I233 HydrophobicContact CG-CG1 3.89Å
228S97.6Very high94.2Very high69 Ų6947.4 Ų47.448%0.48328%0.276SS..SBendtrans-116.5-29.8-179.561.60000112.3D232S228-D232 PolarHBondContact N-OD2 3.33Å; S228-D232 PolarHBondContact OG-OD2 3.4Å
229S97.9Very high96.1Very high24 Ų2446 Ų4617%0.16826%0.263CS..SBendtrans-135.6162.3167.575.50000110.2T231 D232S229-T231 PolarHBondContact O-N 3.47Å; S229-T231 VanDerWaalsContact O-N 3.15Å; S229-T231 VanDerWaalsContact OG-CB 3.31Å; S229-T231 WeakPolarHBondContact OG-CB 3.4Å; S229-T231 PolarHBondContact OG-N 2.86Å; S229-T231 PolarHBondContact OG-OG1 3.37Å; S229-D232 PolarHBondContact N-OD2 2.99Å; S229-D232 WeakPolarHBondContact O-CB 3.5Å; S229-D232 PolarHBondContact O-N 3.31Å
230A98.5Very high97Very high0 Ų042.2 Ų42.20%024%0.236CC..Hα-helixtrans-68.2-10.2175.500000113.2P76 G77 M78 L81 D232 I233 L234P76-A230 WeakPolarHBondContact O-CB 3.37Å; P76-A230 PolarHBondContact O-N 2.84Å; G77-A230 VanDerWaalsContact C-CB 3.49Å; M78-A230 HydrophobicContact CB-CB 4Å; M78-A230 HydrophobicContact CE-CB 3.75Å; M78-A230 HydrophobicContact SD-CB 4.2Å; L81-A230 HydrophobicContact CB-CB 4.45Å; L81-A230 HydrophobicContact CD2-CB 4.03Å; A230-D232 VanDerWaalsContact C-N 3.28Å; A230-D232 PolarHBondContact O-N 3Å; A230-I233 HydrophobicContact CB-CD1 4.27Å; A230-I233 PolarHBondContact O-N 3.05Å; A230-L234 WeakPolarHBondContact O-CB 3.34Å; A230-L234 PolarHBondContact O-N 2.96Å
231T98.4Very high97.3Very high81 Ų8142.6 Ų42.650%0.49724%0.237SC..Hα-helixtrans-62.6-36.6167.9-44.40000111.7S229 I233 L234 Q235S229-T231 PolarHBondContact O-N 3.47Å; S229-T231 VanDerWaalsContact O-N 3.15Å; S229-T231 VanDerWaalsContact OG-CB 3.31Å; S229-T231 WeakPolarHBondContact OG-CB 3.4Å; S229-T231 PolarHBondContact OG-N 2.86Å; S229-T231 PolarHBondContact OG-OG1 3.37Å; T231-I233 VanDerWaalsContact C-N 3.33Å; T231-L234 PolarHBondContact O-N 3.12Å; T231-Q235 PolarHBondContact O-N 3.05Å
232D98.6Very high97.1Very high58 Ų5846 Ų4631%0.3124%0.244SC..Hα-helixtrans-65.3-41.9178.3-54.5-31.1000110W227 S228 S229 A230 Q235 E236W227-D232 HydrophobicContact CB-CB 4.02Å; S228-D232 PolarHBondContact N-OD2 3.33Å; S228-D232 PolarHBondContact OG-OD2 3.4Å; S229-D232 PolarHBondContact N-OD2 2.99Å; S229-D232 WeakPolarHBondContact O-CB 3.5Å; S229-D232 PolarHBondContact O-N 3.31Å; A230-D232 VanDerWaalsContact C-N 3.28Å; A230-D232 PolarHBondContact O-N 3Å; D232-Q235 PolarHBondContact O-N 2.85Å; D232-E236 PolarHBondContact O-N 3.4Å; D232-E236 VanDerWaalsContact O-N 3.11Å
233I98.7Very high96.2Very high0 Ų050.8 Ų50.80%028%0.277CS..Hα-helixtrans-64-45.6176-51.7168.9000110.5M5 F7 M78 L81 V177 M197 W227 A230 T231 Q235 E236 L237M5-I233 HydrophobicContact CE-CG2 3.63Å; F7-I233 HydrophobicContact CE1-CD1 4.39Å; F7-I233 HydrophobicContact CE1-CG2 4.44Å; M78-I233 HydrophobicContact CE-CD1 4.46Å; L81-I233 HydrophobicContact CD2-CB 3.79Å; L81-I233 HydrophobicContact CD2-CD1 4.23Å; L81-I233 HydrophobicContact CD2-CG2 3.66Å; V177-I233 HydrophobicContact CG1-CD1 3.48Å; V177-I233 VanDerWaalsContact CG1-CD1 3.48Å; V177-I233 HydrophobicContact CG1-CG1 4.37Å; V177-I233 HydrophobicContact CG2-CD1 4.46Å; V177-I233 HydrophobicContact CG2-CG2 4.13Å; M197-I233 HydrophobicContact CE-CB 4.31Å; M197-I233 HydrophobicContact CE-CG1 4.04Å; M197-I233 HydrophobicContact SD-CB 4.37Å; M197-I233 HydrophobicContact SD-CG1 4.31Å; M197-I233 HydrophobicContact SD-CG2 3.98Å; W227-I233 HydrophobicContact CB-CG1 3.98Å; W227-I233 HydrophobicContact CD2-CD1 3.81Å; W227-I233 HydrophobicContact CD2-CG1 4.16Å; W227-I233 HydrophobicContact CE3-CD1 4.13Å; W227-I233 HydrophobicContact CG-CD1 4.05Å; W227-I233 HydrophobicContact CG-CG1 3.89Å; A230-I233 HydrophobicContact CB-CD1 4.27Å; A230-I233 PolarHBondContact O-N 3.05Å; T231-I233 VanDerWaalsContact C-N 3.33Å; I233-Q235 VanDerWaalsContact C-N 3.29Å; I233-Q235 PolarHBondContact O-N 3.31Å; I233-E236 PolarHBondContact O-N 2.96Å; I233-L237 WeakPolarHBondContact O-CB 3.36Å; I233-L237 PolarHBondContact O-N 3.17Å
234L98.8Very high94.4Very high19 Ų1952.5 Ų52.510%0.09929%0.287CS..Hα-helixtrans-60.8-39.3178.1179.757.4000112.1L81 F84 A230 T231 K238L81-L234 HydrophobicContact CB-CB 4.4Å; L81-L234 HydrophobicContact CD1-CB 3.97Å; L81-L234 HydrophobicContact CD1-CD1 3.87Å; F84-L234 HydrophobicContact CB-CD1 3.72Å; F84-L234 HydrophobicContact CD1-CD1 3.57Å; F84-L234 HydrophobicContact CD2-CD1 4.23Å; F84-L234 HydrophobicContact CE1-CD1 4.24Å; F84-L234 HydrophobicContact CG-CD1 3.56Å; A230-L234 WeakPolarHBondContact O-CB 3.34Å; A230-L234 PolarHBondContact O-N 2.96Å; T231-L234 PolarHBondContact O-N 3.12Å; L234-K238 HydrophobicContact CD1-CD 4.29Å; L234-K238 HydrophobicContact CD1-CG 4.36Å; L234-K238 HydrophobicContact CG-CD 4.28Å; L234-K238 WeakPolarHBondContact O-CB 3.19Å; L234-K238 WeakPolarHBondContact O-CG 3.01Å; L234-K238 PolarHBondContact O-N 3.03Å
235Q98.4Very high94.2Very high97 Ų9752.5 Ų52.545%0.45329%0.285SS..Hα-helixtrans-65.4-49.4177.5-171.859.85300111.2T231 D232 I233 L237 K238 D239T231-Q235 PolarHBondContact O-N 3.05Å; D232-Q235 PolarHBondContact O-N 2.85Å; I233-Q235 VanDerWaalsContact C-N 3.29Å; I233-Q235 PolarHBondContact O-N 3.31Å; Q235-L237 VanDerWaalsContact C-N 3.29Å; Q235-L237 PolarHBondContact O-N 3.11Å; Q235-K238 PolarHBondContact O-N 3.04Å; Q235-K238 VanDerWaalsContact O-N 3.15Å; Q235-D239 PolarHBondContact NE2-OD1 3.48Å; Q235-D239 PolarHBondContact NE2-OD2 3.08Å; Q235-D239 VanDerWaalsContact O-CG 3.26Å; Q235-D239 PolarHBondContact O-N 2.68Å
236E98.1Very high94Very high49 Ų4954.1 Ų54.123%0.22929%0.294CS..Hα-helixtrans-61.5-36.7178.2-71.5-70.7158.100112.7F175 M197 K223 I225 D232 I233 S240F175-E236 HydrophobicContact CE1-CB 4.34Å; M197-E236 HydrophobicContact CE-CB 4.12Å; M197-E236 HydrophobicContact CE-CG 3.89Å; M197-E236 HydrophobicContact SD-CB 4.47Å; K223-E236 IonicContact NZ-OE2 2.99Å; I225-E236 HydrophobicContact CD1-CG 4.21Å; I225-E236 WeakPolarHBondContact CD1-OE2 3.49Å; I225-E236 HydrophobicContact CG2-CG 4.23Å; D232-E236 PolarHBondContact O-N 3.4Å; D232-E236 VanDerWaalsContact O-N 3.11Å; I233-E236 PolarHBondContact O-N 2.96Å; E236-S240 WeakPolarHBondContact O-CB 3.31Å; E236-S240 PolarHBondContact O-N 3.09Å; E236-S240 PolarHBondContact O-OG 2.81Å
237L98.3Very high93.8Very high0 Ų053.6 Ų53.60%029%0.288CS..Hα-helixtrans-63.7-47.8173.6177.158.5000111.2I3 M5 L81 F84 I85 V92 I233 Q235 S240 L241I3-L237 HydrophobicContact CB-CD1 4.45Å; I3-L237 HydrophobicContact CD1-CD1 3.99Å; I3-L237 HydrophobicContact CG2-CD1 3.93Å; M5-L237 HydrophobicContact CG-CD2 4.36Å; M5-L237 HydrophobicContact SD-CD1 3.94Å; M5-L237 HydrophobicContact SD-CD2 4.21Å; M5-L237 HydrophobicContact SD-CG 4.5Å; L81-L237 HydrophobicContact CD1-CD2 4.11Å; F84-L237 HydrophobicContact CD1-CD2 4.02Å; F84-L237 HydrophobicContact CE1-CD2 4.01Å; F84-L237 HydrophobicContact CE1-CG 4.25Å; I85-L237 HydrophobicContact CD1-CD2 4.49Å; I85-L237 HydrophobicContact CG1-CD2 3.98Å; V92-L237 HydrophobicContact CG1-CD1 4.45Å; V92-L237 HydrophobicContact CG1-CD2 4.48Å; V92-L237 HydrophobicContact CG2-CD1 4.15Å; I233-L237 WeakPolarHBondContact O-CB 3.36Å; I233-L237 PolarHBondContact O-N 3.17Å; Q235-L237 VanDerWaalsContact C-N 3.29Å; Q235-L237 PolarHBondContact O-N 3.11Å; L237-S240 PolarHBondContact O-N 3.12Å; L237-L241 HydrophobicContact CD1-CD1 4.4Å; L237-L241 HydrophobicContact CD1-CG 4.42Å; L237-L241 HydrophobicContact CG-CD1 4.35Å; L237-L241 WeakPolarHBondContact O-CG 3.22Å; L237-L241 PolarHBondContact O-N 2.95Å
238K97.8Very high93.5Very high71 Ų7156.7 Ų56.731%0.30931%0.305SS..Hα-helixtrans-62-43.8178.4-78.1174.3176.3174.30112.3F84 L234 Q235 S240 L241 Q242F84-K238 HydrophobicContact CE1-CG 4.15Å; F84-K238 HydrophobicContact CE2-CD 4.42Å; F84-K238 HydrophobicContact CE2-CG 4.08Å; F84-K238 HydrophobicContact CZ-CG 3.7Å; L234-K238 HydrophobicContact CD1-CD 4.29Å; L234-K238 HydrophobicContact CD1-CG 4.36Å; L234-K238 HydrophobicContact CG-CD 4.28Å; L234-K238 WeakPolarHBondContact O-CB 3.19Å; L234-K238 WeakPolarHBondContact O-CG 3.01Å; L234-K238 PolarHBondContact O-N 3.03Å; Q235-K238 PolarHBondContact O-N 3.04Å; Q235-K238 VanDerWaalsContact O-N 3.15Å; K238-S240 VanDerWaalsContact C-N 3.26Å; K238-S240 PolarHBondContact O-N 2.9Å; K238-L241 PolarHBondContact O-N 3.01Å; K238-Q242 WeakPolarHBondContact O-CG 3.23Å; K238-Q242 PolarHBondContact O-N 3.32Å; K238-Q242 VanDerWaalsContact O-N 3.14Å
239D96.7Very high93.3Very high58 Ų5855.9 Ų55.931%0.3129%0.294SS..Hα-helixtrans-64.5-36.2179.3-67.1-15000111.2Q235 Q242 S243Q235-D239 PolarHBondContact NE2-OD1 3.48Å; Q235-D239 PolarHBondContact NE2-OD2 3.08Å; Q235-D239 VanDerWaalsContact O-CG 3.26Å; Q235-D239 PolarHBondContact O-N 2.68Å; D239-Q242 PolarHBondContact O-N 3.48Å; D239-S243 WeakPolarHBondContact O-CB 3.35Å; D239-S243 PolarHBondContact O-N 3.18Å; D239-S243 PolarHBondContact O-OG 3.21Å
240S95.1Very high93Very high7 Ų758.1 Ų58.15%0.04930%0.302CS..Hα-helixtrans-69.5-37.9176-61.90000112.7R173 F175 E236 L237 K238 Q242 S243R173-S240 PolarHBondContact NH1-OG 3.45Å; F175-S240 WeakPolarHBondContact CZ-OG 3.43Å; E236-S240 WeakPolarHBondContact O-CB 3.31Å; E236-S240 PolarHBondContact O-N 3.09Å; E236-S240 PolarHBondContact O-OG 2.81Å; L237-S240 PolarHBondContact O-N 3.12Å; K238-S240 VanDerWaalsContact C-N 3.26Å; K238-S240 PolarHBondContact O-N 2.9Å; S240-Q242 VanDerWaalsContact C-N 3.26Å; S240-Q242 PolarHBondContact O-N 2.93Å; S240-S243 PolarHBondContact O-N 2.63Å
241L94.3Very high92.6Very high35 Ų3562.2 Ų62.218%0.18332%0.324CS..Hα-helixtrans-67.2-25.6174.7-71.6172000113.3I3 F84 M91 V92 L237 K238I3-L241 HydrophobicContact CD1-CD2 3.66Å; I3-L241 HydrophobicContact CD1-CG 3.93Å; I3-L241 HydrophobicContact CG1-CD2 4.3Å; F84-L241 HydrophobicContact CE1-CD1 3.86Å; F84-L241 HydrophobicContact CZ-CD1 3.94Å; M91-L241 HydrophobicContact CB-CD2 3.84Å; M91-L241 HydrophobicContact SD-CD2 4.48Å; V92-L241 HydrophobicContact CG2-CD1 4Å; V92-L241 HydrophobicContact CG2-CD2 4.06Å; L237-L241 HydrophobicContact CD1-CD1 4.4Å; L237-L241 HydrophobicContact CD1-CG 4.42Å; L237-L241 HydrophobicContact CG-CD1 4.35Å; L237-L241 WeakPolarHBondContact O-CG 3.22Å; L237-L241 PolarHBondContact O-N 2.95Å; K238-L241 PolarHBondContact O-N 3.01Å
242Q88.2Confident92.1Very high151 Ų15160.8 Ų60.871%0.70631%0.311SS*.Hα-helixtrans-85.4-16.7177.1-69174.114.500113.5K238 D239 S240K238-Q242 WeakPolarHBondContact O-CG 3.23Å; K238-Q242 PolarHBondContact O-N 3.32Å; K238-Q242 VanDerWaalsContact O-N 3.14Å; D239-Q242 PolarHBondContact O-N 3.48Å; S240-Q242 VanDerWaalsContact C-N 3.26Å; S240-Q242 PolarHBondContact O-N 2.93Å
243S76.8Confident91.6Very high105 Ų10561 Ų6173%0.73431%0.311SS*.  trans-94.7-6.3-176.6-57.90000113.4D239 S240D239-S243 WeakPolarHBondContact O-CB 3.35Å; D239-S243 PolarHBondContact O-N 3.18Å; D239-S243 PolarHBondContact O-OG 3.21Å; S240-S243 PolarHBondContact O-N 2.63Å
244E58.2Low91Very high140 Ų14066.5 Ų66.565%0.65434%0.339SS*.  trans-930172-71-161.1-173.400112.3M1M1-E244 PolarHBondContact N-OE2 3.02Å; M1-E244 VanDerWaalsContact O-OE2 3.07Å

Retrieved 244 of 244 residues in 497.9 ms (Link to these results)

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