A0A087XH04_POEFO Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087XH04, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,120 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
1M35.1Very low70.5Confident224 Ų22496.2 Ų96.2100%1.10352%0.517SS*.  0151.20-60.1-166.778.200108V3M1-V3 PolarHBondContact O-N 3.5Å
2P47.3Very low72.3Confident110 Ų11090 Ų9071%0.71448%0.483SS*.PPolyproline II helixtrans-60.2130.5169.726.9-33.8000109
3V62.8Low73.9Confident73 Ų7385.1 Ų85.144%0.44246%0.456SS..PPolyproline II helixtrans-74.3137.5176-172.50000108M1 A5 F52M1-V3 PolarHBondContact O-N 3.5Å; V3-A5 PolarHBondContact O-N 3.14Å; V3-F52 HydrophobicContact CB-CD1 3.88Å; V3-F52 HydrophobicContact CB-CE1 3.78Å; V3-F52 HydrophobicContact CG1-CD1 4.14Å; V3-F52 HydrophobicContact CG1-CE1 3.57Å; V3-F52 HydrophobicContact CG1-CZ 4.43Å
4Q63.5Low75.3Confident166 Ų16679 Ų7978%0.77642%0.424SS*.PPolyproline II helixtrans-57.2127.9177.5-178.7174.1-1000109.9
5A61.5Low76.3Confident65 Ų6575.6 Ų75.654%0.53741%0.408SS..PPolyproline II helixtrans-58.6135.3179.100000110.5V3V3-A5 PolarHBondContact O-N 3.14Å
6P71.2Confident77.3Confident61 Ų6175.4 Ų75.440%0.39641%0.405SS..PPolyproline II helixtrans-64.7148.4-173.124-33000112.8W8 P15P6-W8 PolarHBondContact O-N 2.95Å; P6-P15 HydrophobicContact CB-CB 3.82Å; P6-P15 HydrophobicContact CG-CB 3.95Å; P6-P15 HydrophobicContact CG-CG 4.42Å
7Q81.9Confident78.2Confident117 Ų11773.1 Ų73.155%0.54740%0.396SS..PPolyproline II helixtrans-69.4131174.8-59.1-167.824.500109.9T9 E10Q7-T9 PolarHBondContact O-N 2.98Å; Q7-E10 HydrophobicContact CB-CG 4.27Å; Q7-E10 PolarHBondContact O-N 3.26Å
8W86Confident78.9Confident77 Ų7774.7 Ų74.729%0.29241%0.409SS..G310 helixtrans-59.5-20.2-179.876.6-88.6000113.6P6 E10 F11 Q134 R135 V138P6-W8 PolarHBondContact O-N 2.95Å; W8-E10 VanDerWaalsContact C-N 3.29Å; W8-F11 VanDerWaalsContact O-CD1 3.3Å; W8-F11 WeakPolarHBondContact O-CD1 3.45Å; W8-Q134 HydrophobicContact CH2-CB 4.14Å; W8-Q134 HydrophobicContact CZ3-CB 3.88Å; W8-R135 HydrophobicContact CB-CG 4.4Å; W8-R135 HydrophobicContact CD2-CB 3.84Å; W8-R135 HydrophobicContact CD2-CG 3.81Å; W8-R135 HydrophobicContact CE3-CB 3.79Å; W8-R135 HydrophobicContact CE3-CG 4.15Å; W8-R135 HydrophobicContact CG-CB 4.47Å; W8-R135 HydrophobicContact CG-CG 3.91Å; W8-R135 HydrophobicContact CH2-CB 4.21Å; W8-R135 HydrophobicContact CZ2-CB 4.25Å; W8-R135 HydrophobicContact CZ3-CB 3.99Å; W8-V138 HydrophobicContact CE3-CG2 4.32Å
9T87.1Confident79.6Confident73 Ų7375.8 Ų75.845%0.44841%0.411SS..G310 helixtrans-75.1-14.2174.140.80000113.9Q7Q7-T9 PolarHBondContact O-N 2.98Å
10E88.3Confident80.3Confident81 Ų8174.6 Ų74.638%0.37941%0.406SS..G310 helixtrans-108.522.1-176.5-58.7-160.5112.500112.9Q7 W8 L12 L13 R117Q7-E10 HydrophobicContact CB-CG 4.27Å; Q7-E10 PolarHBondContact O-N 3.26Å; W8-E10 VanDerWaalsContact C-N 3.29Å; E10-L12 PolarHBondContact O-N 3.43Å; E10-L13 HydrophobicContact CB-CD1 4.29Å; E10-L13 WeakPolarHBondContact O-CB 3.44Å; E10-L13 PolarHBondContact O-N 3.33Å; E10-R117 IonicContact OE1-NH2 2.72Å; E10-R117 PolarHBondContact OE1-NH2 3.09Å
11F90.6Very high80.8Confident11 Ų1171.1 Ų71.15%0.04839%0.387CS..THydrogen-bonded Turntrans-53.7-10.1-177.565.4-82.3000116.7W8 L70 L73 L110 L113 V138 H142W8-F11 VanDerWaalsContact O-CD1 3.3Å; W8-F11 WeakPolarHBondContact O-CD1 3.45Å; F11-L70 HydrophobicContact CD2-CD2 3.84Å; F11-L73 HydrophobicContact CE2-CD1 3.79Å; F11-L110 HydrophobicContact CD2-CD1 4.38Å; F11-L110 HydrophobicContact CE2-CB 4.2Å; F11-L110 HydrophobicContact CE2-CD1 3.8Å; F11-L110 HydrophobicContact CZ-CB 4Å; F11-L110 HydrophobicContact CZ-CD1 4.12Å; F11-L113 HydrophobicContact CE1-CD1 4.22Å; F11-L113 HydrophobicContact CZ-CB 4.45Å; F11-L113 HydrophobicContact CZ-CD1 4.44Å; F11-V138 HydrophobicContact CB-CG1 3.71Å; F11-V138 HydrophobicContact CB-CG2 4.32Å; F11-V138 HydrophobicContact CD1-CG2 3.86Å; F11-V138 HydrophobicContact CD2-CG2 4.18Å; F11-V138 HydrophobicContact CE1-CG2 4.22Å; F11-V138 HydrophobicContact CE2-CG2 4.5Å; F11-V138 HydrophobicContact CG-CG1 4.18Å; F11-V138 HydrophobicContact CG-CG2 3.86Å; F11-H142 WeakPolarHBondContact CB-NE2 3.12Å
12L92.9Very high83.4Confident22 Ų2262.7 Ų62.712%0.11535%0.345CS..THydrogen-bonded Turntrans-93.7-3.6173.3-57.2179.6000113.9E10 T20 F21 L70 L73 V74E10-L12 PolarHBondContact O-N 3.43Å; L12-T20 WeakPolarHBondContact O-CA 3.24Å; L12-T20 WeakPolarHBondContact O-CG2 3.41Å; L12-F21 VanDerWaalsContact C-CD2 3.43Å; L12-F21 WeakPolarHBondContact O-CD2 3.34Å; L12-F21 PolarHBondContact O-N 3.01Å; L12-L70 HydrophobicContact CD2-CD2 4.15Å; L12-L73 HydrophobicContact CD2-CB 3.7Å; L12-L73 HydrophobicContact CD2-CD1 4.28Å; L12-V74 HydrophobicContact CB-CG2 4.36Å; L12-V74 HydrophobicContact CD2-CG2 4.18Å
13L92.2Very high85.2Confident26 Ų2660.2 Ų60.214%0.13632%0.324CS..BIsolated β-bridgetrans-97.8143175-68.7-173.9000111.7E10 P15 T18 Q19 F21E10-L13 HydrophobicContact CB-CD1 4.29Å; E10-L13 WeakPolarHBondContact O-CB 3.44Å; E10-L13 PolarHBondContact O-N 3.33Å; L13-P15 WeakPolarHBondContact O-CD 3.4Å; L13-T18 VanDerWaalsContact CD2-O 3.26Å; L13-T18 WeakPolarHBondContact CD2-O 3.27Å; L13-Q19 VanDerWaalsContact CD2-C 3.49Å; L13-F21 WeakPolarHBondContact O-CE2 3.25Å; L13-F21 VanDerWaalsContact O-CZ 3.26Å; L13-F21 WeakPolarHBondContact O-CZ 3.37Å
14C93.4Very high86.3Confident0 Ų061.5 Ų61.50%033%0.332CS..  trans-69.1122.2159.81780000109.4I16 C17 T18 Q19 F21 C38C14-I16 PolarHBondContact O-N 3.36Å; C14-I16 VanDerWaalsContact O-N 3.15Å; C14-C17 VanDerWaalsContact CB-SG 3.58Å; C14-C17 VanDerWaalsContact SG-SG 3.68Å; C14-T18 VanDerWaalsContact O-CA 3.24Å; C14-T18 WeakPolarHBondContact O-CA 3.29Å; C14-T18 PolarHBondContact O-N 3.49Å; C14-Q19 PolarHBondContact N-O 3.09Å; C14-F21 HydrophobicContact CB-CD1 4.21Å; C14-F21 HydrophobicContact CB-CE1 3.67Å; C14-F21 HydrophobicContact CB-CZ 4.26Å; C14-C38 HydrophobicContact CB-CB 3.91Å; C14-C38 PolarHBondContact SG-N 3.06Å; C14-C38 PolarHBondContact SG-SG 3.46Å
15P91.3Very high87.3Confident28 Ų2857.5 Ų57.518%0.18232%0.318CS..THydrogen-bonded Turntrans-75-3.8-174.233.1-39.2000114.1P6 L13 T36 V37 F52P6-P15 HydrophobicContact CB-CB 3.82Å; P6-P15 HydrophobicContact CG-CB 3.95Å; P6-P15 HydrophobicContact CG-CG 4.42Å; L13-P15 WeakPolarHBondContact O-CD 3.4Å; P15-T36 WeakPolarHBondContact CD-O 3.31Å; P15-T36 WeakPolarHBondContact CG-O 3.43Å; P15-V37 HydrophobicContact CG-CG2 4.29Å; P15-F52 HydrophobicContact CB-CE1 4.09Å; P15-F52 HydrophobicContact CB-CE2 4.23Å; P15-F52 HydrophobicContact CB-CZ 3.52Å; P15-F52 HydrophobicContact CG-CE1 4.42Å; P15-F52 HydrophobicContact CG-CE2 3.66Å; P15-F52 HydrophobicContact CG-CZ 3.45Å; P15-F52 VanDerWaalsContact CG-CZ 3.45Å
16I91.2Very high88.7Confident72 Ų7257.5 Ų57.537%0.36931%0.305SS..THydrogen-bonded Turntrans-96.7-49.3177.3-56.5-176.9000111.4C14 V37 C41 P51 F52C14-I16 PolarHBondContact O-N 3.36Å; C14-I16 VanDerWaalsContact O-N 3.15Å; I16-V37 HydrophobicContact CD1-CG1 3.41Å; I16-V37 VanDerWaalsContact CD1-CG1 3.41Å; I16-V37 HydrophobicContact CD1-CG2 4.25Å; I16-V37 HydrophobicContact CG1-CG1 4.02Å; I16-C41 HydrophobicContact CB-CB 4.1Å; I16-C41 HydrophobicContact CD1-CB 4.07Å; I16-C41 HydrophobicContact CG2-CB 4.19Å; I16-P51 HydrophobicContact CD1-CG 3.64Å; I16-P51 HydrophobicContact CG1-CG 4.33Å; I16-F52 HydrophobicContact CG1-CE2 4.3Å; I16-F52 HydrophobicContact CG1-CZ 4.09Å
17C92.6Very high89.7Confident36 Ų3658.5 Ų58.524%0.24330%0.3CS..THydrogen-bonded Turntrans-96.7-1.5179.864.20000113.9C14 Q19 C41C14-C17 VanDerWaalsContact CB-SG 3.58Å; C14-C17 VanDerWaalsContact SG-SG 3.68Å; C17-Q19 PolarHBondContact O-N 3.47Å; C17-C41 VanDerWaalsContact SG-SG 3.68Å
18T91.9Very high90.3Very high103 Ų10352.9 Ų52.963%0.63227%0.274SS*.  trans58.29.5-177.265.20000115.5L13 C14L13-T18 VanDerWaalsContact CD2-O 3.26Å; L13-T18 WeakPolarHBondContact CD2-O 3.27Å; C14-T18 VanDerWaalsContact O-CA 3.24Å; C14-T18 WeakPolarHBondContact O-CA 3.29Å; C14-T18 PolarHBondContact O-N 3.49Å
19Q92.3Very high90.7Very high96 Ų9649.3 Ų49.345%0.44926%0.261SS..PPolyproline II helixtrans-93.6147.5-179.3-66.9-68.4-6.200111.7L13 C14 C17L13-Q19 VanDerWaalsContact CD2-C 3.49Å; C14-Q19 PolarHBondContact N-O 3.09Å; C17-Q19 PolarHBondContact O-N 3.47Å
20T92.3Very high91.1Very high50 Ų5045.9 Ų45.931%0.30724%0.24SC..BIsolated β-bridgetrans-58.4143.5174.8-43.10000110.9L12 V74L12-T20 WeakPolarHBondContact O-CA 3.24Å; L12-T20 WeakPolarHBondContact O-CG2 3.41Å; T20-V74 HydrophobicContact CG2-CG1 3.72Å; T20-V74 HydrophobicContact CG2-CG2 3.89Å
21F92.2Very high91.4Very high2 Ų242.2 Ų42.21%0.00922%0.223CC..PPolyproline II helixtrans-64.1151.2172.2-64.3-59.2000112L12 L13 C14 R26 P28 T36 C38 L70L12-F21 VanDerWaalsContact C-CD2 3.43Å; L12-F21 WeakPolarHBondContact O-CD2 3.34Å; L12-F21 PolarHBondContact O-N 3.01Å; L13-F21 WeakPolarHBondContact O-CE2 3.25Å; L13-F21 VanDerWaalsContact O-CZ 3.26Å; L13-F21 WeakPolarHBondContact O-CZ 3.37Å; C14-F21 HydrophobicContact CB-CD1 4.21Å; C14-F21 HydrophobicContact CB-CE1 3.67Å; C14-F21 HydrophobicContact CB-CZ 4.26Å; F21-R26 WeakPolarHBondContact CA-O 3.31Å; F21-P28 HydrophobicContact CB-CB 4.15Å; F21-P28 HydrophobicContact CB-CG 4.13Å; F21-P28 HydrophobicContact CD1-CB 3.6Å; F21-P28 HydrophobicContact CD1-CG 4.42Å; F21-P28 HydrophobicContact CD2-CB 3.99Å; F21-P28 HydrophobicContact CE1-CB 3.88Å; F21-P28 HydrophobicContact CE2-CB 4.26Å; F21-P28 HydrophobicContact CG-CB 3.66Å; F21-P28 HydrophobicContact CG-CG 4.19Å; F21-P28 HydrophobicContact CZ-CB 4.21Å; F21-T36 HydrophobicContact CE1-CG2 4.3Å; F21-T36 HydrophobicContact CE2-CG2 4.19Å; F21-T36 HydrophobicContact CZ-CG2 3.73Å; F21-C38 HydrophobicContact CD1-CB 3.89Å; F21-C38 HydrophobicContact CE1-CB 3.9Å; F21-L70 HydrophobicContact CD2-CD1 4.5Å; F21-L70 HydrophobicContact CE2-CD1 4.24Å
22E89.6Confident91.4Very high47 Ų4742 Ų4222%0.2222%0.224CC..  trans-149.5164.7178.887.4-151.9138.100111.9T24 R26 R27E22-T24 PolarHBondContact O-N 3.48Å; E22-R26 HydrophobicContact CG-CB 3.97Å; E22-R26 PolarHBondContact N-O 3.23Å; E22-R26 CarbonylContact O-C 3.44Å; E22-R26 VanDerWaalsContact O-C 3.31Å; E22-R26 VanDerWaalsContact OE1-CB 3.24Å; E22-R26 WeakPolarHBondContact OE1-CB 3.46Å; E22-R26 VanDerWaalsContact OE1-CG 3.27Å; E22-R26 WeakPolarHBondContact OE1-CG 3.06Å; E22-R26 IonicContact OE1-CZ 3.62Å; E22-R26 PolarHBondContact OE1-N 3.01Å; E22-R26 IonicContact OE1-NE 2.78Å; E22-R26 PolarHBondContact OE1-NE 3.09Å; E22-R26 IonicContact OE1-NH2 3.59Å; E22-R26 IonicContact OE2-CZ 3.4Å; E22-R26 IonicContact OE2-NE 3.3Å; E22-R26 PolarHBondContact OE2-NE 3.03Å; E22-R26 IonicContact OE2-NH2 2.69Å; E22-R26 PolarHBondContact OE2-NH2 3.49Å; E22-R27 VanDerWaalsContact O-CA 3.22Å; E22-R27 WeakPolarHBondContact O-CA 3.49Å; E22-R27 PolarHBondContact O-N 3.19Å
23E85.3Confident91.3Very high59 Ų5942 Ų4228%0.27623%0.225SC..SBendtrans-72.9-23.8-175.6-164.3-171.815800114.2R27 Q77 P79E23-R27 WeakPolarHBondContact O-CG 3.44Å; E23-R27 PolarHBondContact O-NE 3Å; E23-R27 PolarHBondContact O-NH2 3.13Å; E23-Q77 VanDerWaalsContact CD-O 3.3Å; E23-Q77 WeakPolarHBondContact OE2-CA 3.4Å; E23-Q77 WeakPolarHBondContact OE2-CB 3.18Å; E23-Q77 PolarHBondContact OE2-N 2.89Å; E23-P79 HydrophobicContact CG-CG 4.13Å
24T84.5Confident91.3Very high100 Ų10042 Ų4261%0.61323%0.231SC*.SBendtrans-92.4-77.1-173.655.20000112.5E22 R27E22-T24 PolarHBondContact O-N 3.48Å; T24-R27 PolarHBondContact O-NE 3Å
25V85.6Confident91.3Very high81 Ų8143.7 Ų43.749%0.49124%0.239SC..SBendtrans-100.3-50-170.3-176.60000111.9R27 M40V25-R27 PolarHBondContact O-N 3.44Å; V25-M40 HydrophobicContact CG1-CB 4.08Å; V25-M40 HydrophobicContact CG1-CG 4.21Å; V25-M40 HydrophobicContact CG1-SD 3.73Å
26R90.8Very high91.5Very high66 Ų6642.7 Ų42.725%0.24923%0.233CC..SBendtrans-83.344178.3-65.8168.2-78.2-1713.7112.9F21 E22 C38 M40F21-R26 WeakPolarHBondContact CA-O 3.31Å; E22-R26 HydrophobicContact CG-CB 3.97Å; E22-R26 PolarHBondContact N-O 3.23Å; E22-R26 CarbonylContact O-C 3.44Å; E22-R26 VanDerWaalsContact O-C 3.31Å; E22-R26 VanDerWaalsContact OE1-CB 3.24Å; E22-R26 WeakPolarHBondContact OE1-CB 3.46Å; E22-R26 VanDerWaalsContact OE1-CG 3.27Å; E22-R26 WeakPolarHBondContact OE1-CG 3.06Å; E22-R26 IonicContact OE1-CZ 3.62Å; E22-R26 PolarHBondContact OE1-N 3.01Å; E22-R26 IonicContact OE1-NE 2.78Å; E22-R26 PolarHBondContact OE1-NE 3.09Å; E22-R26 IonicContact OE1-NH2 3.59Å; E22-R26 IonicContact OE2-CZ 3.4Å; E22-R26 IonicContact OE2-NE 3.3Å; E22-R26 PolarHBondContact OE2-NE 3.03Å; E22-R26 IonicContact OE2-NH2 2.69Å; E22-R26 PolarHBondContact OE2-NH2 3.49Å; R26-C38 HydrophobicContact CB-CB 4.07Å; R26-M40 HydrophobicContact CG-CE 4.11Å
27R92.3Very high91.6Very high81 Ų8139.2 Ų39.231%0.30622%0.215SC..  trans-56.9124.7175.9-72.7176.7173.8-150.5-11.6111.6E22 E23 T24 V25 C38 K39 V66E22-R27 VanDerWaalsContact O-CA 3.22Å; E22-R27 WeakPolarHBondContact O-CA 3.49Å; E22-R27 PolarHBondContact O-N 3.19Å; E23-R27 WeakPolarHBondContact O-CG 3.44Å; E23-R27 PolarHBondContact O-NE 3Å; E23-R27 PolarHBondContact O-NH2 3.13Å; T24-R27 PolarHBondContact O-NE 3Å; V25-R27 PolarHBondContact O-N 3.44Å; R27-C38 CarbonylContact O-C 3.59Å; R27-C38 WeakPolarHBondContact O-CA 3.34Å; R27-K39 HydrophobicContact CB-CB 4.18Å; R27-K39 PolarHBondContact O-N 2.89Å; R27-V66 HydrophobicContact CB-CG1 4.11Å; R27-V66 HydrophobicContact CB-CG2 4.19Å; R27-V66 HydrophobicContact CG-CG1 4.48Å; R27-V66 HydrophobicContact CG-CG2 4.45Å
28P94.3Very high91.7Very high0 Ų037.5 Ų37.50%020%0.204CC..EExtended strand (participates in β ladder)trans-72.5127.5177.727.4-30.6000110.7F21 T36 V66 N67 L70 L71F21-P28 HydrophobicContact CB-CB 4.15Å; F21-P28 HydrophobicContact CB-CG 4.13Å; F21-P28 HydrophobicContact CD1-CB 3.6Å; F21-P28 HydrophobicContact CD1-CG 4.42Å; F21-P28 HydrophobicContact CD2-CB 3.99Å; F21-P28 HydrophobicContact CE1-CB 3.88Å; F21-P28 HydrophobicContact CE2-CB 4.26Å; F21-P28 HydrophobicContact CG-CB 3.66Å; F21-P28 HydrophobicContact CG-CG 4.19Å; F21-P28 HydrophobicContact CZ-CB 4.21Å; P28-T36 HydrophobicContact CB-CG2 3.83Å; P28-V66 HydrophobicContact CG-CG1 4.13Å; P28-V66 CarbonylContact O-C 3.46Å; P28-V66 WeakPolarHBondContact O-CA 3.31Å; P28-V66 WeakPolarHBondContact O-CG1 3.46Å; P28-N67 HydrophobicContact CB-CB 4.16Å; P28-N67 HydrophobicContact CG-CB 4.2Å; P28-N67 WeakPolarHBondContact CG-O 3.29Å; P28-N67 PolarHBondContact O-N 3.3Å; P28-L70 HydrophobicContact CB-CD1 4.25Å; P28-L70 HydrophobicContact CG-CB 4.29Å; P28-L71 HydrophobicContact CG-CD2 3.98Å; P28-L71 HydrophobicContact CG-CG 3.89Å
29I94.2Very high91.8Very high1 Ų134.6 Ų34.61%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-121.7123.2171.1-66.1178.8000107.8T36 V37 K39 L42 I61 L64I29-T36 WeakPolarHBondContact O-CA 3.26Å; I29-T36 WeakPolarHBondContact O-CG2 3.41Å; I29-V37 PolarHBondContact N-O 3.47Å; I29-V37 PolarHBondContact O-N 2.83Å; I29-V37 VanDerWaalsContact O-O 3.12Å; I29-K39 HydrophobicContact CD1-CB 3.77Å; I29-K39 HydrophobicContact CD1-CD 3.95Å; I29-K39 HydrophobicContact CD1-CG 3.78Å; I29-K39 HydrophobicContact CG1-CB 4.43Å; I29-L42 HydrophobicContact CB-CD1 3.71Å; I29-L42 HydrophobicContact CD1-CD1 4.19Å; I29-L42 HydrophobicContact CG1-CD1 4.48Å; I29-L42 HydrophobicContact CG2-CD1 3.79Å; I29-I61 HydrophobicContact CD1-CG2 3.94Å; I29-L64 HydrophobicContact CG2-CB 3.73Å; I29-L64 HydrophobicContact CG2-CD1 3.87Å; I29-L64 HydrophobicContact CG2-CG 4.45Å
30S95.3Very high91.8Very high2 Ų233.1 Ų33.11%0.01418%0.176CC..EExtended strand (participates in β ladder)trans-81.4143.8171.5-61.30000110T36 N67 H142 Q144S30-T36 PolarHBondContact OG-OG1 2.78Å; S30-N67 PolarHBondContact OG-ND2 3.3Å; S30-H142 WeakPolarHBondContact CB-O 3.17Å; S30-Q144 WeakPolarHBondContact O-CG 2.86Å; S30-Q144 PolarHBondContact O-NE2 3.06Å
31L94.1Very high91.9Very high4 Ų431.2 Ų31.22%0.02117%0.165CC..  trans-108.4151.5173.2-55.6177.8000109.1C33 G34 H35 L42 C50 I57 L64L31-C33 PolarHBondContact O-N 2.69Å; L31-G34 PolarHBondContact O-N 3.23Å; L31-H35 PolarHBondContact N-O 3.3Å; L31-L42 HydrophobicContact CD1-CD2 4.3Å; L31-L42 HydrophobicContact CD2-CD1 4.33Å; L31-L42 HydrophobicContact CD2-CD2 4.39Å; L31-C50 HydrophobicContact CD1-CB 4.19Å; L31-I57 HydrophobicContact CD1-CD1 3.83Å; L31-I57 HydrophobicContact CD1-CG1 4.21Å; L31-I57 HydrophobicContact CD2-CD1 4.09Å; L31-I57 HydrophobicContact CD2-CG1 4.31Å; L31-I57 HydrophobicContact CD2-CG2 4.33Å; L31-L64 HydrophobicContact CD2-CD1 3.97Å
32G91.3Very high91.9Very high7 Ų731.2 Ų31.27%0.07217%0.165CC..THydrogen-bonded Turntrans-57.4-21.8-17900000114.3G34 E147 R153G32-G34 PolarHBondContact O-N 3.02Å; G32-E147 VanDerWaalsContact CA-OE2 3.27Å; G32-E147 WeakPolarHBondContact CA-OE2 3.47Å; G32-E147 PolarHBondContact N-OE2 3.46Å; G32-R153 WeakPolarHBondContact O-CD 3.48Å; G32-R153 PolarHBondContact O-NE 3.48Å; G32-R153 VanDerWaalsContact O-NE 3.14Å; G32-R153 PolarHBondContact O-NH1 3.34Å
33C91.8Very high92Very high20 Ų2033.1 Ų33.114%0.13518%0.176CC..THydrogen-bonded Turntrans-68.9-17.2172.264.70000114.4L31 C50 D53 T55 R153L31-C33 PolarHBondContact O-N 2.69Å; C33-C50 VanDerWaalsContact SG-SG 3.69Å; C33-D53 WeakPolarHBondContact CB-OD2 3.26Å; C33-D53 PolarHBondContact SG-OD2 2.88Å; C33-T55 HydrophobicContact CB-CG2 4.16Å; C33-T55 WeakPolarHBondContact CB-OG1 3.43Å; C33-R153 PolarHBondContact O-NE 3.43Å
34G91.6Very high92.3Very high26 Ų2637.3 Ų37.327%0.26819%0.194SC..SBendtrans100.27.6-177.800000114.8L31 G32 H142L31-G34 PolarHBondContact O-N 3.23Å; G32-G34 PolarHBondContact O-N 3.02Å; G34-H142 WeakPolarHBondContact O-CB 3.46Å
35H92.9Very high92.4Very high36 Ų3635.1 Ų35.117%0.16718%0.178CC..  trans-93.9140.9170.9-75.1103.5000110.9L31 F52 D53L31-H35 PolarHBondContact N-O 3.3Å; H35-F52 HydrophobicContact CB-CD2 4.35Å; H35-F52 AromaticContact CD2-CD2 3.84Å; H35-F52 AromaticContact CD2-CG 3.96Å; H35-F52 AromaticContact CG-CD2 3.97Å; H35-F52 AromaticContact NE2-CG 3.91Å; H35-D53 IonicContact CE1-OD2 2.73Å; H35-D53 PolarHBondContact CE1-OD2 3.5Å; H35-D53 VanDerWaalsContact CE1-OD2 3.23Å; H35-D53 IonicContact CG-OD2 3.76Å; H35-D53 IonicContact ND1-OD2 3.99Å; H35-D53 PolarHBondContact ND1-OD2 3.15Å
36T94.8Very high92.2Very high7 Ų740.6 Ų40.64%0.04320%0.198CC..EExtended strand (participates in β ladder)trans-112.1130.5171.9-59.30000110.3P15 F21 P28 I29 S30 L70 H142P15-T36 WeakPolarHBondContact CD-O 3.31Å; P15-T36 WeakPolarHBondContact CG-O 3.43Å; F21-T36 HydrophobicContact CE1-CG2 4.3Å; F21-T36 HydrophobicContact CE2-CG2 4.19Å; F21-T36 HydrophobicContact CZ-CG2 3.73Å; P28-T36 HydrophobicContact CB-CG2 3.83Å; I29-T36 WeakPolarHBondContact O-CA 3.26Å; I29-T36 WeakPolarHBondContact O-CG2 3.41Å; S30-T36 PolarHBondContact OG-OG1 2.78Å; T36-L70 HydrophobicContact CG2-CD1 3.78Å; T36-H142 PolarHBondContact OG1-ND1 3.46Å
37V94.4Very high91.9Very high0 Ų047.1 Ų47.10%022%0.222CC..EExtended strand (participates in β ladder)trans-133.2149.2-177.4179.90000108.5P15 I16 I29 C41 L42 F52P15-V37 HydrophobicContact CG-CG2 4.29Å; I16-V37 HydrophobicContact CD1-CG1 3.41Å; I16-V37 VanDerWaalsContact CD1-CG1 3.41Å; I16-V37 HydrophobicContact CD1-CG2 4.25Å; I16-V37 HydrophobicContact CG1-CG1 4.02Å; I29-V37 PolarHBondContact N-O 3.47Å; I29-V37 PolarHBondContact O-N 2.83Å; I29-V37 VanDerWaalsContact O-O 3.12Å; V37-C41 HydrophobicContact CG1-CB 3.89Å; V37-L42 HydrophobicContact CB-CD1 4.43Å; V37-L42 HydrophobicContact CB-CD2 3.77Å; V37-L42 HydrophobicContact CB-CG 3.92Å; V37-L42 HydrophobicContact CG1-CD2 3.79Å; V37-L42 HydrophobicContact CG1-CG 3.79Å; V37-L42 HydrophobicContact CG2-CD2 4.36Å; V37-F52 HydrophobicContact CG2-CE2 4.13Å
38C94.4Very high91.7Very high0 Ų049.2 Ų49.20%023%0.234CC..EExtended strand (participates in β ladder)trans-78.2144.3178.480.10000112.2C14 F21 R26 R27 M40 C41 L42C14-C38 HydrophobicContact CB-CB 3.91Å; C14-C38 PolarHBondContact SG-N 3.06Å; C14-C38 PolarHBondContact SG-SG 3.46Å; F21-C38 HydrophobicContact CD1-CB 3.89Å; F21-C38 HydrophobicContact CE1-CB 3.9Å; R26-C38 HydrophobicContact CB-CB 4.07Å; R27-C38 CarbonylContact O-C 3.59Å; R27-C38 WeakPolarHBondContact O-CA 3.34Å; C38-M40 VanDerWaalsContact C-N 3.28Å; C38-M40 PolarHBondContact O-N 2.86Å; C38-C41 WeakPolarHBondContact O-CA 3.16Å; C38-C41 PolarHBondContact O-N 2.71Å; C38-C41 PolarHBondContact SG-SG 2.97Å; C38-L42 PolarHBondContact O-N 3.26Å
39K93.2Very high91.5Very high42 Ų4250.4 Ų50.418%0.18324%0.243CC..Hα-helixtrans-51.7-42.6-175.9-169.4170.4-173.6165.80113.3R27 I29 C41 L42 N43 I61 E62R27-K39 HydrophobicContact CB-CB 4.18Å; R27-K39 PolarHBondContact O-N 2.89Å; I29-K39 HydrophobicContact CD1-CB 3.77Å; I29-K39 HydrophobicContact CD1-CD 3.95Å; I29-K39 HydrophobicContact CD1-CG 3.78Å; I29-K39 HydrophobicContact CG1-CB 4.43Å; K39-C41 PolarHBondContact O-N 2.85Å; K39-L42 PolarHBondContact O-N 3.5Å; K39-N43 PolarHBondContact O-N 3.01Å; K39-N43 PolarHBondContact O-OD1 2.89Å; K39-I61 HydrophobicContact CG-CG2 4.35Å; K39-E62 VanDerWaalsContact CE-CD 3.41Å; K39-E62 WeakPolarHBondContact CE-OE1 3.47Å; K39-E62 WeakPolarHBondContact CE-OE2 3.24Å; K39-E62 IonicContact NZ-OE1 3.91Å; K39-E62 PolarHBondContact NZ-OE1 3.47Å; K39-E62 IonicContact NZ-OE2 3.62Å; K39-E62 PolarHBondContact NZ-OE2 3.41Å
40M93.8Very high91.3Very high64 Ų6450.4 Ų50.432%0.31524%0.244SC..Hα-helixtrans-57.2-31.4174.6-177.9-173.364.600113.9V25 R26 C38 K44V25-M40 HydrophobicContact CG1-CB 4.08Å; V25-M40 HydrophobicContact CG1-CG 4.21Å; V25-M40 HydrophobicContact CG1-SD 3.73Å; R26-M40 HydrophobicContact CG-CE 4.11Å; C38-M40 VanDerWaalsContact C-N 3.28Å; C38-M40 PolarHBondContact O-N 2.86Å; M40-K44 WeakPolarHBondContact O-CD 3.26Å; M40-K44 VanDerWaalsContact O-CG 3.31Å; M40-K44 WeakPolarHBondContact O-CG 3.41Å
41C93.4Very high90.9Very high11 Ų1152 Ų527%0.07425%0.254CS..Hα-helixtrans-86.8-35.3177-63.40000112.1I16 C17 V37 C38 K39 K44 L45I16-C41 HydrophobicContact CB-CB 4.1Å; I16-C41 HydrophobicContact CD1-CB 4.07Å; I16-C41 HydrophobicContact CG2-CB 4.19Å; C17-C41 VanDerWaalsContact SG-SG 3.68Å; V37-C41 HydrophobicContact CG1-CB 3.89Å; C38-C41 WeakPolarHBondContact O-CA 3.16Å; C38-C41 PolarHBondContact O-N 2.71Å; C38-C41 PolarHBondContact SG-SG 2.97Å; K39-C41 PolarHBondContact O-N 2.85Å; C41-K44 PolarHBondContact O-N 3.39Å; C41-K44 VanDerWaalsContact O-N 3.13Å; C41-L45 PolarHBondContact O-N 2.93Å
42L92.2Very high90.6Very high1 Ų153 Ų531%0.00526%0.258CS..Hα-helixtrans-60.7-46.7173.1-70.2177.1000111.4I29 L31 V37 C38 K39 K44 L45 I57 I61I29-L42 HydrophobicContact CB-CD1 3.71Å; I29-L42 HydrophobicContact CD1-CD1 4.19Å; I29-L42 HydrophobicContact CG1-CD1 4.48Å; I29-L42 HydrophobicContact CG2-CD1 3.79Å; L31-L42 HydrophobicContact CD1-CD2 4.3Å; L31-L42 HydrophobicContact CD2-CD1 4.33Å; L31-L42 HydrophobicContact CD2-CD2 4.39Å; V37-L42 HydrophobicContact CB-CD1 4.43Å; V37-L42 HydrophobicContact CB-CD2 3.77Å; V37-L42 HydrophobicContact CB-CG 3.92Å; V37-L42 HydrophobicContact CG1-CD2 3.79Å; V37-L42 HydrophobicContact CG1-CG 3.79Å; V37-L42 HydrophobicContact CG2-CD2 4.36Å; C38-L42 PolarHBondContact O-N 3.26Å; K39-L42 PolarHBondContact O-N 3.5Å; L42-K44 PolarHBondContact O-N 3.35Å; L42-L45 HydrophobicContact CD2-CD1 3.76Å; L42-L45 WeakPolarHBondContact O-CB 3.41Å; L42-L45 PolarHBondContact O-N 3Å; L42-I57 HydrophobicContact CD2-CD1 4.45Å; L42-I61 HydrophobicContact CB-CD1 4.01Å; L42-I61 HydrophobicContact CB-CG1 4.38Å; L42-I61 HydrophobicContact CB-CG2 3.86Å; L42-I61 HydrophobicContact CD1-CG2 3.96Å
43N91.3Very high90.5Very high87 Ų8755.4 Ų55.447%0.46527%0.27SS..THydrogen-bonded Turntrans-702.6177.2-64.823000113.2K39 I61 E62K39-N43 PolarHBondContact O-N 3.01Å; K39-N43 PolarHBondContact O-OD1 2.89Å; N43-I61 WeakPolarHBondContact OD1-CG2 3.35Å; N43-E62 PolarHBondContact ND2-OE1 3.05Å
44K91.5Very high90.4Very high148 Ų14861.8 Ų61.864%0.64330%0.297SS*.THydrogen-bonded Turntrans-112.35.2171.6-70.3178.9-178.6-1760113.2M40 C41 L42 H46M40-K44 WeakPolarHBondContact O-CD 3.26Å; M40-K44 VanDerWaalsContact O-CG 3.31Å; M40-K44 WeakPolarHBondContact O-CG 3.41Å; C41-K44 PolarHBondContact O-N 3.39Å; C41-K44 VanDerWaalsContact O-N 3.13Å; L42-K44 PolarHBondContact O-N 3.35Å; K44-H46 PolarHBondContact O-N 3.21Å
45L86.9Confident90.4Very high53 Ų5363.1 Ų63.128%0.27730%0.3SS..  trans-79118.6174.7-70.8172.2000110.9C41 L42 R47 P51 I57C41-L45 PolarHBondContact O-N 2.93Å; L42-L45 HydrophobicContact CD2-CD1 3.76Å; L42-L45 WeakPolarHBondContact O-CB 3.41Å; L42-L45 PolarHBondContact O-N 3Å; L45-R47 WeakPolarHBondContact CB-O 3.21Å; L45-R47 PolarHBondContact O-N 3.21Å; L45-R47 VanDerWaalsContact O-N 3.09Å; L45-P51 HydrophobicContact CD2-CB 4.24Å; L45-P51 HydrophobicContact CD2-CG 4.15Å; L45-I57 HydrophobicContact CD1-CD1 4.48Å
46H81.2Confident90.3Very high196 Ų19665.1 Ų65.191%0.90732%0.323SS*.SBendtrans-67.1-3.3173.6-55.2112.6000114.5K44K44-H46 PolarHBondContact O-N 3.21Å
47R85.4Confident90Very high203 Ų20365.3 Ų65.377%0.76632%0.324SS*.SBendtrans-139.4137.9176.9-74.6-176.3167.2-174.4-6109.2L45 A49L45-R47 WeakPolarHBondContact CB-O 3.21Å; L45-R47 PolarHBondContact O-N 3.21Å; L45-R47 VanDerWaalsContact O-N 3.09Å; R47-A49 PolarHBondContact O-N 3.05Å
48K87.2Confident89.4Confident125 Ų12570.3 Ų70.354%0.54336%0.358SS..SBendtrans-7461.9170.9-68.9-162.7166-156.90111.3I57 D60K48-I57 PolarHBondContact O-N 2.81Å; K48-D60 IonicContact NZ-OD1 3.92Å; K48-D60 PolarHBondContact NZ-OD1 3.04Å
49A90.4Very high89.1Confident25 Ų2571.5 Ų71.521%0.20737%0.366CS..BIsolated β-bridgetrans-147.6148.2178.400000110.9R47 T55R47-A49 PolarHBondContact O-N 3.05Å; A49-T55 CarbonylContact C-O 3.28Å; A49-T55 VanDerWaalsContact CA-O 3.26Å; A49-T55 WeakPolarHBondContact CA-O 3.46Å
50C89.7Confident88.8Confident1 Ų172.2 Ų72.21%0.00737%0.372CS..  trans-62.3128.1175.4175.80000110.8L31 C33 F52 D53 Q54 T55L31-C50 HydrophobicContact CD1-CB 4.19Å; C33-C50 VanDerWaalsContact SG-SG 3.69Å; C50-F52 PolarHBondContact O-N 2.83Å; C50-D53 WeakPolarHBondContact CB-OD1 3.17Å; C50-D53 VanDerWaalsContact SG-CG 3.52Å; C50-D53 PolarHBondContact SG-OD1 2.83Å; C50-D53 PolarHBondContact SG-OD2 3.19Å; C50-Q54 WeakPolarHBondContact O-CA 3.49Å; C50-Q54 PolarHBondContact O-N 3.34Å; C50-T55 PolarHBondContact N-O 3.21Å
51P86.8Confident88.5Confident36 Ų3670.2 Ų70.223%0.23436%0.362CS..THydrogen-bonded Turntrans-75.5-3.1-176.128.1-32.8000114.9I16 L45I16-P51 HydrophobicContact CD1-CG 3.64Å; I16-P51 HydrophobicContact CG1-CG 4.33Å; L45-P51 HydrophobicContact CD2-CB 4.24Å; L45-P51 HydrophobicContact CD2-CG 4.15Å
52F88.3Confident88.1Confident24 Ų2475 Ų7511%0.10538%0.383CS..THydrogen-bonded Turntrans-100.1-50.9179.6-57.7-79.6000112.1V3 P15 I16 H35 V37 C50V3-F52 HydrophobicContact CB-CD1 3.88Å; V3-F52 HydrophobicContact CB-CE1 3.78Å; V3-F52 HydrophobicContact CG1-CD1 4.14Å; V3-F52 HydrophobicContact CG1-CE1 3.57Å; V3-F52 HydrophobicContact CG1-CZ 4.43Å; P15-F52 HydrophobicContact CB-CE1 4.09Å; P15-F52 HydrophobicContact CB-CE2 4.23Å; P15-F52 HydrophobicContact CB-CZ 3.52Å; P15-F52 HydrophobicContact CG-CE1 4.42Å; P15-F52 HydrophobicContact CG-CE2 3.66Å; P15-F52 HydrophobicContact CG-CZ 3.45Å; P15-F52 VanDerWaalsContact CG-CZ 3.45Å; I16-F52 HydrophobicContact CG1-CE2 4.3Å; I16-F52 HydrophobicContact CG1-CZ 4.09Å; H35-F52 HydrophobicContact CB-CD2 4.35Å; H35-F52 AromaticContact CD2-CD2 3.84Å; H35-F52 AromaticContact CD2-CG 3.96Å; H35-F52 AromaticContact CG-CD2 3.97Å; H35-F52 AromaticContact NE2-CG 3.91Å; V37-F52 HydrophobicContact CG2-CE2 4.13Å; C50-F52 PolarHBondContact O-N 2.83Å
53D89.8Confident87.9Confident59 Ų5980 Ų8032%0.31641%0.407SS..THydrogen-bonded Turntrans-112.1-6.4-173.956.753000114C33 H35 C50 T55C33-D53 WeakPolarHBondContact CB-OD2 3.26Å; C33-D53 PolarHBondContact SG-OD2 2.88Å; H35-D53 IonicContact CE1-OD2 2.73Å; H35-D53 PolarHBondContact CE1-OD2 3.5Å; H35-D53 VanDerWaalsContact CE1-OD2 3.23Å; H35-D53 IonicContact CG-OD2 3.76Å; H35-D53 IonicContact ND1-OD2 3.99Å; H35-D53 PolarHBondContact ND1-OD2 3.15Å; C50-D53 WeakPolarHBondContact CB-OD1 3.17Å; C50-D53 VanDerWaalsContact SG-CG 3.52Å; C50-D53 PolarHBondContact SG-OD1 2.83Å; C50-D53 PolarHBondContact SG-OD2 3.19Å; D53-T55 PolarHBondContact O-N 2.66Å; D53-T55 WeakPolarHBondContact OD1-CB 3.17Å; D53-T55 PolarHBondContact OD1-N 3.2Å; D53-T55 PolarHBondContact OD1-OG1 3Å
54Q89.9Confident87.9Confident153 Ų15376.3 Ų76.372%0.71539%0.387SS*.  trans64.313-178.4-58.9173.79100115.6C50 A56C50-Q54 WeakPolarHBondContact O-CA 3.49Å; C50-Q54 PolarHBondContact O-N 3.34Å; Q54-A56 PolarHBondContact O-N 3.06Å
55T90.4Very high87.9Confident55 Ų5570.5 Ų70.534%0.33736%0.364SS..  trans-57.3132.7170.9-49.70000109.9C33 A49 C50 D53C33-T55 HydrophobicContact CB-CG2 4.16Å; C33-T55 WeakPolarHBondContact CB-OG1 3.43Å; A49-T55 CarbonylContact C-O 3.28Å; A49-T55 VanDerWaalsContact CA-O 3.26Å; A49-T55 WeakPolarHBondContact CA-O 3.46Å; C50-T55 PolarHBondContact N-O 3.21Å; D53-T55 PolarHBondContact O-N 2.66Å; D53-T55 WeakPolarHBondContact OD1-CB 3.17Å; D53-T55 PolarHBondContact OD1-N 3.2Å; D53-T55 PolarHBondContact OD1-OG1 3Å
56A90.9Very high88.1Confident77 Ų7769.8 Ų69.864%0.63636%0.362SS*.BIsolated β-bridgetrans-63.6139.1176.400000111Q54Q54-A56 PolarHBondContact O-N 3.06Å
57I89.4Confident88.7Confident12 Ų1261.4 Ų61.46%0.06232%0.324CS..  trans-96.599.3173.8-57.4171.2000106.4L31 L42 L45 K48 T59L31-I57 HydrophobicContact CD1-CD1 3.83Å; L31-I57 HydrophobicContact CD1-CG1 4.21Å; L31-I57 HydrophobicContact CD2-CD1 4.09Å; L31-I57 HydrophobicContact CD2-CG1 4.31Å; L31-I57 HydrophobicContact CD2-CG2 4.33Å; L42-I57 HydrophobicContact CD2-CD1 4.45Å; L45-I57 HydrophobicContact CD1-CD1 4.48Å; K48-I57 PolarHBondContact O-N 2.81Å; I57-T59 WeakPolarHBondContact CG2-O 3.49Å
58S81.8Confident89.1Confident104 Ų10452.7 Ų52.773%0.72729%0.293SS*.  trans-79.2-44.8-17547.20000112.5
59T86.6Confident89.3Confident25 Ų2546.9 Ų46.915%0.15327%0.269CS..SBendtrans-74.1148.5176.4-59.80000111.2I57 Q63 L64 L86 E147I57-T59 WeakPolarHBondContact CG2-O 3.49Å; T59-Q63 HydrophobicContact CG2-CB 4.09Å; T59-L64 HydrophobicContact CG2-CD2 3.64Å; T59-L64 HydrophobicContact CG2-CG 3.88Å; T59-L86 HydrophobicContact CG2-CD1 3.62Å; T59-L86 HydrophobicContact CG2-CD2 4.28Å; T59-E147 PolarHBondContact OG1-OE1 3.26Å
60D87.6Confident89.5Confident57 Ų5745.7 Ų45.731%0.30526%0.259SS..  trans-76.4144.4178.5-164.761.2000112.8K48 E62 Q63 L64K48-D60 IonicContact NZ-OD1 3.92Å; K48-D60 PolarHBondContact NZ-OD1 3.04Å; D60-E62 PolarHBondContact O-N 2.86Å; D60-E62 PolarHBondContact OD2-N 3.04Å; D60-Q63 HydrophobicContact CB-CG 4.23Å; D60-Q63 WeakPolarHBondContact O-CA 3.34Å; D60-Q63 WeakPolarHBondContact O-CB 3.44Å; D60-Q63 PolarHBondContact O-N 3.23Å; D60-L64 PolarHBondContact O-N 2.75Å
61I86.8Confident89.5Confident22 Ų2245.7 Ų45.711%0.11326%0.259CS..THydrogen-bonded Turntrans-66.8-24.7-171.7-56.5156.5000111.7I29 K39 L42 N43 Q63I29-I61 HydrophobicContact CD1-CG2 3.94Å; K39-I61 HydrophobicContact CG-CG2 4.35Å; L42-I61 HydrophobicContact CB-CD1 4.01Å; L42-I61 HydrophobicContact CB-CG1 4.38Å; L42-I61 HydrophobicContact CB-CG2 3.86Å; L42-I61 HydrophobicContact CD1-CG2 3.96Å; N43-I61 WeakPolarHBondContact OD1-CG2 3.35Å; I61-Q63 VanDerWaalsContact C-N 3.32Å
62E86.3Confident89.6Confident112 Ų11245.9 Ų45.952%0.52326%0.256SS..THydrogen-bonded Turntrans-76.9-18173.9-60.5-58.9130.200113K39 N43 D60K39-E62 VanDerWaalsContact CE-CD 3.41Å; K39-E62 WeakPolarHBondContact CE-OE1 3.47Å; K39-E62 WeakPolarHBondContact CE-OE2 3.24Å; K39-E62 IonicContact NZ-OE1 3.91Å; K39-E62 PolarHBondContact NZ-OE1 3.47Å; K39-E62 IonicContact NZ-OE2 3.62Å; K39-E62 PolarHBondContact NZ-OE2 3.41Å; N43-E62 PolarHBondContact ND2-OE1 3.05Å; D60-E62 PolarHBondContact O-N 2.86Å; D60-E62 PolarHBondContact OD2-N 3.04Å
63Q88.3Confident89.6Confident107 Ų10745.1 Ų45.150%0.525%0.254SS..THydrogen-bonded Turntrans-94.4-21.3178.5-61.3173.8-14.300113.3T59 D60 I61 L86T59-Q63 HydrophobicContact CG2-CB 4.09Å; D60-Q63 HydrophobicContact CB-CG 4.23Å; D60-Q63 WeakPolarHBondContact O-CA 3.34Å; D60-Q63 WeakPolarHBondContact O-CB 3.44Å; D60-Q63 PolarHBondContact O-N 3.23Å; I61-Q63 VanDerWaalsContact C-N 3.32Å; Q63-L86 HydrophobicContact CB-CD1 4.17Å; Q63-L86 HydrophobicContact CB-CD2 4.48Å; Q63-L86 HydrophobicContact CB-CG 4.39Å
64L90.1Very high89.4Confident8 Ų845.1 Ų45.14%0.04226%0.256CS..SBendtrans-71.8129.4178.4-71.6175.3000111.7I29 L31 T59 D60 Q144 V146 E147I29-L64 HydrophobicContact CG2-CB 3.73Å; I29-L64 HydrophobicContact CG2-CD1 3.87Å; I29-L64 HydrophobicContact CG2-CG 4.45Å; L31-L64 HydrophobicContact CD2-CD1 3.97Å; T59-L64 HydrophobicContact CG2-CD2 3.64Å; T59-L64 HydrophobicContact CG2-CG 3.88Å; D60-L64 PolarHBondContact O-N 2.75Å; L64-Q144 HydrophobicContact CD2-CG 4.08Å; L64-V146 HydrophobicContact CD2-CG2 3.94Å; L64-E147 HydrophobicContact CD2-CG 4.1Å
65P91.6Very high88.6Confident27 Ų2741 Ų4118%0.17525%0.254CS..PPolyproline II helixtrans-70.2148-179.629.6-35.7000111.9V146P65-V146 HydrophobicContact CG-CG1 3.68Å; P65-V146 HydrophobicContact CG-CG2 4.35Å
66V92.1Very high87.4Confident37 Ų3739.8 Ų39.822%0.22425%0.252CS..BIsolated β-bridgetrans-71134.8173.1-177.90000109.2R27 P28 T68 L71R27-V66 HydrophobicContact CB-CG1 4.11Å; R27-V66 HydrophobicContact CB-CG2 4.19Å; R27-V66 HydrophobicContact CG-CG1 4.48Å; R27-V66 HydrophobicContact CG-CG2 4.45Å; P28-V66 HydrophobicContact CG-CG1 4.13Å; P28-V66 CarbonylContact O-C 3.46Å; P28-V66 WeakPolarHBondContact O-CA 3.31Å; P28-V66 WeakPolarHBondContact O-CG1 3.46Å; V66-T68 PolarHBondContact O-N 3.33Å; V66-L71 HydrophobicContact CG1-CD1 3.71Å; V66-L71 HydrophobicContact CG1-CG 4.47Å
67N93.7Very high86.1Confident20 Ų2043.5 Ų43.511%0.10726%0.256CS..  trans-72.790.1178.1-170.9-40.8000110.5P28 S30 A69 L70 L71 V141P28-N67 HydrophobicContact CB-CB 4.16Å; P28-N67 HydrophobicContact CG-CB 4.2Å; P28-N67 WeakPolarHBondContact CG-O 3.29Å; P28-N67 PolarHBondContact O-N 3.3Å; S30-N67 PolarHBondContact OG-ND2 3.3Å; N67-A69 VanDerWaalsContact C-N 3.31Å; N67-A69 PolarHBondContact O-N 2.85Å; N67-A69 WeakPolarHBondContact OD1-CB 3.13Å; N67-A69 PolarHBondContact OD1-N 3.14Å; N67-L70 HydrophobicContact CB-CD1 4.18Å; N67-L70 HydrophobicContact CB-CG 4.49Å; N67-L70 PolarHBondContact O-N 2.89Å; N67-L70 WeakPolarHBondContact OD1-CG 3.47Å; N67-L70 PolarHBondContact OD1-N 3.44Å; N67-L71 PolarHBondContact O-N 3.42Å; N67-V141 PolarHBondContact ND2-O 2.99Å
68T92.6Very high85Confident20 Ų2046 Ų4612%0.12327%0.272CS..Hα-helixtrans-64.4-33.9-179.651.70000112.5V66 L70 L71 Q72 V78 R100 E104V66-T68 PolarHBondContact O-N 3.33Å; T68-L70 VanDerWaalsContact C-N 3.28Å; T68-L70 PolarHBondContact O-N 2.84Å; T68-L71 PolarHBondContact O-N 2.79Å; T68-L71 VanDerWaalsContact O-N 3.09Å; T68-Q72 WeakPolarHBondContact O-CG 3.26Å; T68-Q72 PolarHBondContact O-N 3.4Å; T68-V78 HydrophobicContact CG2-CG1 4.06Å; T68-R100 PolarHBondContact OG1-NH1 2.92Å; T68-E104 WeakPolarHBondContact CB-OE1 3.32Å; T68-E104 PolarHBondContact OG1-OE1 3.3Å
69A93.1Very high84.2Confident4 Ų443 Ų433%0.03325%0.25CC..Hα-helixtrans-58.3-37.8176.400000112.2N67 L73 V103 E104 A107 V141N67-A69 VanDerWaalsContact C-N 3.31Å; N67-A69 PolarHBondContact O-N 2.85Å; N67-A69 WeakPolarHBondContact OD1-CB 3.13Å; N67-A69 PolarHBondContact OD1-N 3.14Å; A69-L73 WeakPolarHBondContact O-CG 3.44Å; A69-V103 HydrophobicContact CB-CG1 4.49Å; A69-E104 HydrophobicContact CB-CG 4.12Å; A69-A107 HydrophobicContact CB-CB 3.9Å; A69-V141 HydrophobicContact CB-CG1 4.21Å
70L93Very high83Confident0 Ų051.2 Ų51.20%028%0.284CS..Hα-helixtrans-73.7-37.1173-68.6173.7000113F11 L12 F21 P28 T36 N67 T68 Q72 L73 V74 V141F11-L70 HydrophobicContact CD2-CD2 3.84Å; L12-L70 HydrophobicContact CD2-CD2 4.15Å; F21-L70 HydrophobicContact CD2-CD1 4.5Å; F21-L70 HydrophobicContact CE2-CD1 4.24Å; P28-L70 HydrophobicContact CB-CD1 4.25Å; P28-L70 HydrophobicContact CG-CB 4.29Å; T36-L70 HydrophobicContact CG2-CD1 3.78Å; N67-L70 HydrophobicContact CB-CD1 4.18Å; N67-L70 HydrophobicContact CB-CG 4.49Å; N67-L70 PolarHBondContact O-N 2.89Å; N67-L70 WeakPolarHBondContact OD1-CG 3.47Å; N67-L70 PolarHBondContact OD1-N 3.44Å; T68-L70 VanDerWaalsContact C-N 3.28Å; T68-L70 PolarHBondContact O-N 2.84Å; L70-Q72 VanDerWaalsContact C-N 3.34Å; L70-Q72 PolarHBondContact O-N 3.19Å; L70-L73 WeakPolarHBondContact O-CB 3.42Å; L70-L73 PolarHBondContact O-N 3.18Å; L70-L73 VanDerWaalsContact O-N 3.12Å; L70-V74 PolarHBondContact O-N 3.2Å; L70-V141 HydrophobicContact CD2-CG1 3.65Å; L70-V141 HydrophobicContact CG-CG1 3.84Å
71L90.4Very high81.7Confident1 Ų151.9 Ų51.91%0.00530%0.297CS..Hα-helixtrans-63-39176.6-71.1179000112.4P28 V66 N67 T68 L73 V74 G75 G76 P79P28-L71 HydrophobicContact CG-CD2 3.98Å; P28-L71 HydrophobicContact CG-CG 3.89Å; V66-L71 HydrophobicContact CG1-CD1 3.71Å; V66-L71 HydrophobicContact CG1-CG 4.47Å; N67-L71 PolarHBondContact O-N 3.42Å; T68-L71 PolarHBondContact O-N 2.79Å; T68-L71 VanDerWaalsContact O-N 3.09Å; L71-L73 PolarHBondContact O-N 3.42Å; L71-L73 VanDerWaalsContact O-N 3.09Å; L71-V74 PolarHBondContact O-N 3.2Å; L71-V74 VanDerWaalsContact O-N 3.13Å; L71-G75 PolarHBondContact O-N 3.26Å; L71-G75 VanDerWaalsContact O-N 3.08Å; L71-G76 PolarHBondContact O-N 2.93Å; L71-P79 HydrophobicContact CD1-CG 4.49Å
72Q89.1Confident80.5Confident39 Ų3958 Ų5818%0.18233%0.325CS..Hα-helixtrans-58.6-19.6174.1-72.9-175.931.300114T68 L70 V78 E104 K111T68-Q72 WeakPolarHBondContact O-CG 3.26Å; T68-Q72 PolarHBondContact O-N 3.4Å; L70-Q72 VanDerWaalsContact C-N 3.34Å; L70-Q72 PolarHBondContact O-N 3.19Å; Q72-V78 HydrophobicContact CG-CG2 3.4Å; Q72-V78 VanDerWaalsContact CG-CG2 3.4Å; Q72-E104 PolarHBondContact NE2-OE1 2.87Å; Q72-K111 WeakPolarHBondContact O-CE 3.35Å
73L88.4Confident79.4Confident9 Ų958.5 Ų58.55%0.04734%0.338CS..Hα-helixtrans-96.9-19.3-179.9-62.6-176.8000113.8F11 L12 A69 L70 L71 A107 L110 K111 S114F11-L73 HydrophobicContact CE2-CD1 3.79Å; L12-L73 HydrophobicContact CD2-CB 3.7Å; L12-L73 HydrophobicContact CD2-CD1 4.28Å; A69-L73 WeakPolarHBondContact O-CG 3.44Å; L70-L73 WeakPolarHBondContact O-CB 3.42Å; L70-L73 PolarHBondContact O-N 3.18Å; L70-L73 VanDerWaalsContact O-N 3.12Å; L71-L73 PolarHBondContact O-N 3.42Å; L71-L73 VanDerWaalsContact O-N 3.09Å; L73-A107 HydrophobicContact CD1-CB 4.29Å; L73-A107 WeakPolarHBondContact CD2-O 3.22Å; L73-L110 HydrophobicContact CD1-CB 3.88Å; L73-L110 HydrophobicContact CD1-CD1 4.18Å; L73-K111 HydrophobicContact CD2-CB 4.31Å; L73-K111 HydrophobicContact CD2-CD 4.3Å; L73-K111 HydrophobicContact CD2-CG 3.29Å; L73-S114 WeakPolarHBondContact O-CB 3.22Å; L73-S114 PolarHBondContact O-OG 2.91Å; L73-S114 VanDerWaalsContact O-OG 3.12Å
74V85.2Confident78.8Confident59 Ų5954.3 Ų54.336%0.35832%0.32SS..Hα-helixtrans-88.7-20.3170.4-173.90000111.4L12 T20 L70 L71L12-V74 HydrophobicContact CB-CG2 4.36Å; L12-V74 HydrophobicContact CD2-CG2 4.18Å; T20-V74 HydrophobicContact CG2-CG1 3.72Å; T20-V74 HydrophobicContact CG2-CG2 3.89Å; L70-V74 PolarHBondContact O-N 3.2Å; L71-V74 PolarHBondContact O-N 3.2Å; L71-V74 VanDerWaalsContact O-N 3.13Å
75G73.8Confident77.8Confident66 Ų6658.7 Ų58.768%0.6836%0.357SS*.THydrogen-bonded Turntrans88.520.2-179.200000114.2L71L71-G75 PolarHBondContact O-N 3.26Å; L71-G75 VanDerWaalsContact O-N 3.08Å
76G64.9Low77.2Confident29 Ų2960.7 Ų60.730%0.29937%0.366SS..PPolyproline II helixtrans-66.5163.416300000110.9L71L71-G76 PolarHBondContact O-N 2.93Å
77Q63.6Low76.6Confident155 Ų15559.9 Ų59.972%0.72436%0.36SS*.PPolyproline II helixtrans-68.7148.4168-57.8-123.84700108.2E23 P79E23-Q77 VanDerWaalsContact CD-O 3.3Å; E23-Q77 WeakPolarHBondContact OE2-CA 3.4Å; E23-Q77 WeakPolarHBondContact OE2-CB 3.18Å; E23-Q77 PolarHBondContact OE2-N 2.89Å; Q77-P79 VanDerWaalsContact O-CD 3.3Å; Q77-P79 WeakPolarHBondContact O-CD 3.49Å
78V65.9Low75.9Confident66 Ų6665.6 Ų65.640%0.440%0.396SS..PPolyproline II helixtrans-80.6117.2171.1-172.30000106.6T68 Q72 K80T68-V78 HydrophobicContact CG2-CG1 4.06Å; Q72-V78 HydrophobicContact CG-CG2 3.4Å; Q72-V78 VanDerWaalsContact CG-CG2 3.4Å; V78-K80 PolarHBondContact O-N 3.39Å
79P65.8Low75.6Confident39 Ų3966.2 Ų66.225%0.25340%0.401SS..PPolyproline II helixtrans-57.5137174.3-22.934.9000109.2E23 L71 Q77 A81E23-P79 HydrophobicContact CG-CG 4.13Å; L71-P79 HydrophobicContact CD1-CG 4.49Å; Q77-P79 VanDerWaalsContact O-CD 3.3Å; Q77-P79 WeakPolarHBondContact O-CD 3.49Å; P79-A81 PolarHBondContact O-N 2.84Å
80K60.9Low75.3Confident198 Ų19871 Ų7186%0.86143%0.432SS*.PPolyproline II helixtrans-53.2133.7172.2-73.4-173.4175.7-176.60108.9V78 Q82V78-K80 PolarHBondContact O-N 3.39Å; K80-Q82 PolarHBondContact O-N 2.84Å; K80-Q82 VanDerWaalsContact O-N 3.11Å
81A61Low75.1Confident71 Ų7177.7 Ų77.759%0.58746%0.463SS*.PPolyproline II helixtrans-50.3119.3-17600000110.6P79P79-A81 PolarHBondContact O-N 2.84Å
82Q60.8Low75.2Confident152 Ų15280 Ų8071%0.7148%0.475SS*.PPolyproline II helixtrans-92.6133.1173.1-66-173-39.100107.7K80 V84K80-Q82 PolarHBondContact O-N 2.84Å; K80-Q82 VanDerWaalsContact O-N 3.11Å; Q82-V84 PolarHBondContact O-N 2.86Å
83P63.5Low75.3Confident121 Ų12180.3 Ų80.379%0.78648%0.48SS*.PPolyproline II helixtrans-61.1128.7-179.225.2-33.8000110.3A85P83-A85 PolarHBondContact O-N 3.08Å
84V76.1Confident75.5Confident20 Ų2086.1 Ų86.112%0.12151%0.507CS..  trans-78.8103.3-178175.80000109.4Q82 L86 I87 Y96 V146Q82-V84 PolarHBondContact O-N 2.86Å; V84-L86 HydrophobicContact CG1-CB 4.04Å; V84-L86 PolarHBondContact O-N 3.13Å; V84-I87 HydrophobicContact CB-CD1 4.36Å; V84-I87 HydrophobicContact CB-CG1 4.43Å; V84-I87 HydrophobicContact CG1-CD1 4.27Å; V84-I87 HydrophobicContact CG1-CG1 4.06Å; V84-I87 PolarHBondContact O-N 3.37Å; V84-Y96 HydrophobicContact CB-CE1 4.4Å; V84-Y96 HydrophobicContact CG2-CE1 3.63Å; V84-V146 HydrophobicContact CG1-CG1 3.74Å
85A69.2Low75.9Confident99 Ų9984.5 Ų84.582%0.81850%0.496SS*.THydrogen-bonded Turntrans-62-7.2-176.500000115.5P83P83-A85 PolarHBondContact O-N 3.08Å
86L77.5Confident77Confident70 Ų7081.8 Ų81.837%0.36647%0.465SS..THydrogen-bonded Turntrans-83.3-12.8174.9-65164.4000113.3T59 Q63 V84 V146T59-L86 HydrophobicContact CG2-CD1 3.62Å; T59-L86 HydrophobicContact CG2-CD2 4.28Å; Q63-L86 HydrophobicContact CB-CD1 4.17Å; Q63-L86 HydrophobicContact CB-CD2 4.48Å; Q63-L86 HydrophobicContact CB-CG 4.39Å; V84-L86 HydrophobicContact CG1-CB 4.04Å; V84-L86 PolarHBondContact O-N 3.13Å; L86-V146 HydrophobicContact CD1-CB 4.33Å; L86-V146 HydrophobicContact CD1-CG2 3.95Å
87I81Confident78.4Confident20 Ų2083 Ų8310%0.10346%0.463CS..  trans-107.3117.3-179.3-49.8179000108.3V84 D92 T93 Y96 W374V84-I87 HydrophobicContact CB-CD1 4.36Å; V84-I87 HydrophobicContact CB-CG1 4.43Å; V84-I87 HydrophobicContact CG1-CD1 4.27Å; V84-I87 HydrophobicContact CG1-CG1 4.06Å; V84-I87 PolarHBondContact O-N 3.37Å; I87-D92 HydrophobicContact CG2-CB 3.66Å; I87-T93 WeakPolarHBondContact CG2-OG1 3.33Å; I87-Y96 HydrophobicContact CD1-CD1 3.71Å; I87-Y96 HydrophobicContact CD1-CD2 3.86Å; I87-Y96 HydrophobicContact CD1-CE1 4.39Å; I87-Y96 HydrophobicContact CD1-CG 3.4Å; I87-Y96 VanDerWaalsContact CD1-CG 3.4Å; I87-W374 HydrophobicContact CD1-CH2 3.87Å; I87-W374 HydrophobicContact CD1-CZ2 4.25Å; I87-W374 HydrophobicContact CD1-CZ3 4.39Å; I87-W374 HydrophobicContact CG1-CH2 4.3Å; I87-W374 HydrophobicContact CG1-CZ2 4.26Å
88T77.9Confident79.9Confident140 Ų14078 Ų7886%0.85944%0.443SS*.  trans-99.9-21.9-171.8520000113.9
89S86.6Confident81.4Confident32 Ų3274.9 Ų74.922%0.22442%0.424CS..  trans-90136.3175.6171.30000111.1E91 D92 T93S89-E91 VanDerWaalsContact C-N 3.31Å; S89-E91 PolarHBondContact OG-N 3.18Å; S89-D92 VanDerWaalsContact CB-OD2 3.31Å; S89-D92 WeakPolarHBondContact CB-OD2 3.48Å; S89-D92 PolarHBondContact OG-N 3.29Å; S89-T93 WeakPolarHBondContact O-CB 3.47Å; S89-T93 PolarHBondContact O-N 2.92Å; S89-T93 PolarHBondContact O-OG1 3.39Å
90P86Confident82.8Confident106 Ų10675.2 Ų75.269%0.68842%0.421SS*.Hα-helixtrans-67.1-33.4175.728.3-34.1000112.1T93 Q94P90-T93 WeakPolarHBondContact O-CB 3.13Å; P90-T93 PolarHBondContact O-N 3.48Å; P90-Q94 PolarHBondContact O-N 2.68Å
91E90Very high84.5Confident140 Ų14070.1 Ų70.165%0.65440%0.4SS*.Hα-helixtrans-68-46.9177.6-62.6180174.300110.4S89 T93 Q94 N95S89-E91 VanDerWaalsContact C-N 3.31Å; S89-E91 PolarHBondContact OG-N 3.18Å; E91-T93 PolarHBondContact O-N 3.09Å; E91-Q94 WeakPolarHBondContact O-CB 3.46Å; E91-Q94 PolarHBondContact O-N 3.14Å; E91-Q94 VanDerWaalsContact O-N 3.13Å; E91-N95 PolarHBondContact O-N 3.2Å; E91-N95 PolarHBondContact O-ND2 2.86Å; E91-N95 PolarHBondContact O-OD1 3.23Å
92D91.1Very high86.2Confident48 Ų4867 Ų6726%0.25737%0.373SS..Hα-helixtrans-62.9-32.7175.4-65.4-26.2000112.3I87 S89 N95 Y96 W374I87-D92 HydrophobicContact CG2-CB 3.66Å; S89-D92 VanDerWaalsContact CB-OD2 3.31Å; S89-D92 WeakPolarHBondContact CB-OD2 3.48Å; S89-D92 PolarHBondContact OG-N 3.29Å; D92-N95 PolarHBondContact O-N 2.59Å; D92-Y96 VanDerWaalsContact O-CB 3.25Å; D92-Y96 WeakPolarHBondContact O-CB 3.27Å; D92-Y96 PolarHBondContact O-N 2.85Å; D92-W374 HydrophobicContact CB-CB 4.31Å; D92-W374 HydrophobicContact CB-CD2 4.25Å; D92-W374 HydrophobicContact CB-CG 3.8Å; D92-W374 WeakPolarHBondContact OD1-CB 3.34Å
93T91.3Very high88Confident47 Ų4760.3 Ų60.329%0.28834%0.343SS..Hα-helixtrans-66.7-41.7174.8-56.60000111.2I87 S89 P90 E91 Y96 E97I87-T93 WeakPolarHBondContact CG2-OG1 3.33Å; S89-T93 WeakPolarHBondContact O-CB 3.47Å; S89-T93 PolarHBondContact O-N 2.92Å; S89-T93 PolarHBondContact O-OG1 3.39Å; P90-T93 WeakPolarHBondContact O-CB 3.13Å; P90-T93 PolarHBondContact O-N 3.48Å; E91-T93 PolarHBondContact O-N 3.09Å; T93-Y96 PolarHBondContact O-N 3.23Å; T93-E97 WeakPolarHBondContact O-CG 3.4Å; T93-E97 PolarHBondContact O-N 2.72Å
94Q93.2Very high89.5Confident131 Ų13155 Ų5561%0.61231%0.308SS*.Hα-helixtrans-63-49.5173.7178.1177.6-40.600111.1P90 E91 Y96 E97 V98P90-Q94 PolarHBondContact O-N 2.68Å; E91-Q94 WeakPolarHBondContact O-CB 3.46Å; E91-Q94 PolarHBondContact O-N 3.14Å; E91-Q94 VanDerWaalsContact O-N 3.13Å; Q94-Y96 VanDerWaalsContact C-N 3.29Å; Q94-Y96 PolarHBondContact O-N 3.31Å; Q94-E97 PolarHBondContact O-N 3.17Å; Q94-E97 VanDerWaalsContact O-N 3.13Å; Q94-V98 WeakPolarHBondContact O-CG2 3.42Å; Q94-V98 PolarHBondContact O-N 3.35Å
95N94.7Very high90.4Very high24 Ų2456.1 Ų56.113%0.12831%0.312CS..Hα-helixtrans-57.1-43.2178.3-61-20.5000111.2E91 D92 A99 W374 E378E91-N95 PolarHBondContact O-N 3.2Å; E91-N95 PolarHBondContact O-ND2 2.86Å; E91-N95 PolarHBondContact O-OD1 3.23Å; D92-N95 PolarHBondContact O-N 2.59Å; N95-A99 WeakPolarHBondContact O-CB 3.45Å; N95-A99 PolarHBondContact O-N 2.87Å; N95-W374 HydrophobicContact CB-CB 3.79Å; N95-E378 PolarHBondContact OD1-OE2 2.81Å
96Y95.3Very high91.7Very high9 Ų951.4 Ų51.44%0.03527%0.273CS..Hα-helixtrans-62.7-44.4174.4164.8-97.8000112.9V84 I87 D92 T93 Q94 A99 R100 L145 V146 W374V84-Y96 HydrophobicContact CB-CE1 4.4Å; V84-Y96 HydrophobicContact CG2-CE1 3.63Å; I87-Y96 HydrophobicContact CD1-CD1 3.71Å; I87-Y96 HydrophobicContact CD1-CD2 3.86Å; I87-Y96 HydrophobicContact CD1-CE1 4.39Å; I87-Y96 HydrophobicContact CD1-CG 3.4Å; I87-Y96 VanDerWaalsContact CD1-CG 3.4Å; D92-Y96 VanDerWaalsContact O-CB 3.25Å; D92-Y96 WeakPolarHBondContact O-CB 3.27Å; D92-Y96 PolarHBondContact O-N 2.85Å; T93-Y96 PolarHBondContact O-N 3.23Å; Q94-Y96 VanDerWaalsContact C-N 3.29Å; Q94-Y96 PolarHBondContact O-N 3.31Å; Y96-A99 WeakPolarHBondContact O-CB 3.41Å; Y96-A99 PolarHBondContact O-N 3.45Å; Y96-R100 WeakPolarHBondContact O-CB 3.47Å; Y96-R100 PolarHBondContact O-N 2.88Å; Y96-L145 HydrophobicContact CD2-CB 4.24Å; Y96-L145 HydrophobicContact CE2-CB 4.07Å; Y96-V146 HydrophobicContact CD2-CG1 4.43Å; Y96-V146 HydrophobicContact CE2-CG1 3.67Å; Y96-W374 HydrophobicContact CD2-CH2 4.38Å; Y96-W374 AromaticContact CD2-CZ3 3.93Å; Y96-W374 HydrophobicContact CD2-CZ3 3.93Å; Y96-W374 HydrophobicContact CG-CZ3 4.33Å
97E94.1Very high92.5Very high54 Ų5448.1 Ų48.125%0.25226%0.255SS..Hα-helixtrans-66.7-38.8-179.6-78.4-61.9143.700112.3T93 Q94 R100 H101T93-E97 WeakPolarHBondContact O-CG 3.4Å; T93-E97 PolarHBondContact O-N 2.72Å; Q94-E97 PolarHBondContact O-N 3.17Å; Q94-E97 VanDerWaalsContact O-N 3.13Å; E97-R100 PolarHBondContact O-N 3.02Å; E97-R100 IonicContact OE1-NE 3.21Å; E97-R100 PolarHBondContact OE1-NE 3.09Å; E97-R100 IonicContact OE2-CZ 2.71Å; E97-R100 IonicContact OE2-NE 2.66Å; E97-R100 PolarHBondContact OE2-NE 3.32Å; E97-R100 IonicContact OE2-NH2 2.81Å; E97-R100 PolarHBondContact OE2-NH2 2.86Å; E97-H101 WeakPolarHBondContact O-CB 3.39Å; E97-H101 PolarHBondContact O-N 2.9Å
98V96.2Very high93.1Very high51 Ų5150.3 Ų50.331%0.30927%0.267SS..Hα-helixtrans-65.9-45.1173.3178.60000110.9Q94 R100 H101 C102 E378 V382Q94-V98 WeakPolarHBondContact O-CG2 3.42Å; Q94-V98 PolarHBondContact O-N 3.35Å; V98-R100 PolarHBondContact O-N 3.35Å; V98-H101 PolarHBondContact O-N 3.01Å; V98-C102 PolarHBondContact O-N 2.9Å; V98-C102 PolarHBondContact O-SG 2.78Å; V98-E378 HydrophobicContact CB-CG 3.84Å; V98-E378 HydrophobicContact CG1-CG 3.55Å; V98-V382 HydrophobicContact CG1-CG2 3.85Å
99A97.1Very high93.8Very high0 Ų045.9 Ų45.90%024%0.235CC..Hα-helixtrans-56.7-48.317400000112.4N95 Y96 C102 V103 L145 L377 L381N95-A99 WeakPolarHBondContact O-CB 3.45Å; N95-A99 PolarHBondContact O-N 2.87Å; Y96-A99 WeakPolarHBondContact O-CB 3.41Å; Y96-A99 PolarHBondContact O-N 3.45Å; A99-C102 PolarHBondContact O-N 2.91Å; A99-V103 PolarHBondContact O-N 3.11Å; A99-L145 HydrophobicContact CB-CD1 4.22Å; A99-L377 HydrophobicContact CB-CD2 4.07Å; A99-L377 HydrophobicContact CB-CG 4.2Å; A99-L381 HydrophobicContact CB-CD1 3.62Å
100R95.6Very high94Very high47 Ų4744.4 Ų44.418%0.17722%0.224CC..Hα-helixtrans-59.7-47.7177.5-171.2-172.76960.814.2110.9T68 Y96 E97 V98 C102 V103 E104T68-R100 PolarHBondContact OG1-NH1 2.92Å; Y96-R100 WeakPolarHBondContact O-CB 3.47Å; Y96-R100 PolarHBondContact O-N 2.88Å; E97-R100 PolarHBondContact O-N 3.02Å; E97-R100 IonicContact OE1-NE 3.21Å; E97-R100 PolarHBondContact OE1-NE 3.09Å; E97-R100 IonicContact OE2-CZ 2.71Å; E97-R100 IonicContact OE2-NE 2.66Å; E97-R100 PolarHBondContact OE2-NE 3.32Å; E97-R100 IonicContact OE2-NH2 2.81Å; E97-R100 PolarHBondContact OE2-NH2 2.86Å; V98-R100 PolarHBondContact O-N 3.35Å; R100-C102 PolarHBondContact O-N 2.96Å; R100-V103 PolarHBondContact O-N 3.38Å; R100-E104 IonicContact CZ-OE2 3.76Å; R100-E104 IonicContact NH1-OE1 3.17Å; R100-E104 PolarHBondContact NH1-OE1 3.18Å; R100-E104 IonicContact NH1-OE2 3.92Å; R100-E104 PolarHBondContact NH1-OE2 3.12Å; R100-E104 IonicContact NH2-OE2 3.41Å; R100-E104 PolarHBondContact O-N 3.12Å; R100-E104 VanDerWaalsContact O-N 3.1Å
101H95.6Very high94Very high90 Ų9043.9 Ų43.942%0.41721%0.211SC..Hα-helixtrans-66.1-37.6-178.7-164.353000112.9E97 V98 V103 E104 E105E97-H101 WeakPolarHBondContact O-CB 3.39Å; E97-H101 PolarHBondContact O-N 2.9Å; V98-H101 PolarHBondContact O-N 3.01Å; H101-V103 VanDerWaalsContact C-N 3.26Å; H101-V103 PolarHBondContact O-N 3.12Å; H101-E104 IonicContact ND1-OE2 3.61Å; H101-E104 PolarHBondContact ND1-OE2 3.47Å; H101-E104 VanDerWaalsContact ND1-OE2 3.09Å; H101-E104 WeakPolarHBondContact O-CB 3.3Å; H101-E104 PolarHBondContact O-N 3.46Å; H101-E104 VanDerWaalsContact O-N 3.11Å; H101-E105 IonicContact CD2-OE2 2.79Å; H101-E105 PolarHBondContact CD2-OE2 3.45Å; H101-E105 IonicContact NE2-OE2 3.39Å; H101-E105 PolarHBondContact O-N 3.33Å
102C97.9Very high93.4Very high5 Ų539.6 Ų39.63%0.03420%0.196CC..Hα-helixtrans-59.3-36.8174-69.90000112.5V98 A99 R100 L106 L381 K385V98-C102 PolarHBondContact O-N 2.9Å; V98-C102 PolarHBondContact O-SG 2.78Å; A99-C102 PolarHBondContact O-N 2.91Å; R100-C102 PolarHBondContact O-N 2.96Å; C102-L106 VanDerWaalsContact O-CB 3.31Å; C102-L106 WeakPolarHBondContact O-CB 3.37Å; C102-L106 WeakPolarHBondContact O-CD1 3.47Å; C102-L106 VanDerWaalsContact O-CG 3.24Å; C102-L106 WeakPolarHBondContact O-CG 3.49Å; C102-L106 PolarHBondContact O-N 3.3Å; C102-L106 VanDerWaalsContact O-N 3.12Å; C102-L381 HydrophobicContact CB-CB 4.14Å; C102-K385 HydrophobicContact CB-CB 4.27Å; C102-K385 HydrophobicContact CB-CD 4.33Å
103V97.3Very high92.1Very high12 Ų1239.5 Ų39.57%0.07320%0.195CC..Hα-helixtrans-71.7-37.1175.2177.70000111.6A69 A99 R100 H101 A107 L140 V141 L145 L381A69-V103 HydrophobicContact CB-CG1 4.49Å; A99-V103 PolarHBondContact O-N 3.11Å; R100-V103 PolarHBondContact O-N 3.38Å; H101-V103 VanDerWaalsContact C-N 3.26Å; H101-V103 PolarHBondContact O-N 3.12Å; V103-A107 WeakPolarHBondContact O-CB 3.18Å; V103-A107 PolarHBondContact O-N 3.09Å; V103-L140 HydrophobicContact CG2-CD1 4.28Å; V103-L140 HydrophobicContact CG2-CD2 4.4Å; V103-L140 HydrophobicContact CG2-CG 4.19Å; V103-V141 HydrophobicContact CG1-CG2 4.11Å; V103-L145 HydrophobicContact CG2-CD1 4.4Å; V103-L381 HydrophobicContact CG2-CD1 4.23Å; V103-L381 HydrophobicContact CG2-CD2 4.17Å
104E94.9Very high90.7Very high9 Ų938.3 Ų38.34%0.04219%0.188CC..Hα-helixtrans-60.6-52.5173.2-68.4-176.7130.400112.2T68 A69 Q72 R100 H101 L106 A107 L108T68-E104 WeakPolarHBondContact CB-OE1 3.32Å; T68-E104 PolarHBondContact OG1-OE1 3.3Å; A69-E104 HydrophobicContact CB-CG 4.12Å; Q72-E104 PolarHBondContact NE2-OE1 2.87Å; R100-E104 IonicContact CZ-OE2 3.76Å; R100-E104 IonicContact NH1-OE1 3.17Å; R100-E104 PolarHBondContact NH1-OE1 3.18Å; R100-E104 IonicContact NH1-OE2 3.92Å; R100-E104 PolarHBondContact NH1-OE2 3.12Å; R100-E104 IonicContact NH2-OE2 3.41Å; R100-E104 PolarHBondContact O-N 3.12Å; R100-E104 VanDerWaalsContact O-N 3.1Å; H101-E104 IonicContact ND1-OE2 3.61Å; H101-E104 PolarHBondContact ND1-OE2 3.47Å; H101-E104 VanDerWaalsContact ND1-OE2 3.09Å; H101-E104 WeakPolarHBondContact O-CB 3.3Å; H101-E104 PolarHBondContact O-N 3.46Å; H101-E104 VanDerWaalsContact O-N 3.11Å; E104-L106 VanDerWaalsContact C-N 3.33Å; E104-L106 PolarHBondContact O-N 3.33Å; E104-A107 WeakPolarHBondContact O-CB 3.3Å; E104-A107 PolarHBondContact O-N 2.69Å; E104-A107 VanDerWaalsContact O-N 3.14Å; E104-L108 PolarHBondContact O-N 2.69Å
105E95.6Very high89Confident45 Ų4538.5 Ų38.521%0.2119%0.194CC..Hα-helixtrans-61.4-41.8180-70.4174.490.700111.8H101 A107 L108 K385H101-E105 IonicContact CD2-OE2 2.79Å; H101-E105 PolarHBondContact CD2-OE2 3.45Å; H101-E105 IonicContact NE2-OE2 3.39Å; H101-E105 PolarHBondContact O-N 3.33Å; E105-A107 VanDerWaalsContact C-N 3.34Å; E105-A107 PolarHBondContact O-N 3.28Å; E105-L108 VanDerWaalsContact O-CB 3.3Å; E105-L108 WeakPolarHBondContact O-CB 3.43Å; E105-L108 WeakPolarHBondContact O-CG 3.16Å; E105-L108 PolarHBondContact O-N 2.75Å; E105-K385 VanDerWaalsContact OE1-CE 3.24Å; E105-K385 WeakPolarHBondContact OE1-CE 3.42Å; E105-K385 IonicContact OE1-NZ 3.17Å; E105-K385 PolarHBondContact OE1-NZ 3.3Å; E105-K385 VanDerWaalsContact OE2-CE 3.24Å; E105-K385 WeakPolarHBondContact OE2-CE 3.32Å; E105-K385 IonicContact OE2-NZ 2.75Å; E105-K385 PolarHBondContact OE2-NZ 3Å
106L96.7Very high86.9Confident0 Ų042.8 Ų42.80%022%0.221CC..Hα-helixtrans-62.4-40.1174.5-80.8172.4000112.3C102 E104 L108 Y109 L137 L140 V384 K385 V388C102-L106 VanDerWaalsContact O-CB 3.31Å; C102-L106 WeakPolarHBondContact O-CB 3.37Å; C102-L106 WeakPolarHBondContact O-CD1 3.47Å; C102-L106 VanDerWaalsContact O-CG 3.24Å; C102-L106 WeakPolarHBondContact O-CG 3.49Å; C102-L106 PolarHBondContact O-N 3.3Å; C102-L106 VanDerWaalsContact O-N 3.12Å; E104-L106 VanDerWaalsContact C-N 3.33Å; E104-L106 PolarHBondContact O-N 3.33Å; L106-L108 PolarHBondContact O-N 3.03Å; L106-Y109 HydrophobicContact CD2-CD2 4.44Å; L106-Y109 HydrophobicContact CD2-CE2 4.4Å; L106-Y109 PolarHBondContact O-N 3.14Å; L106-L137 HydrophobicContact CB-CD1 3.78Å; L106-L137 WeakPolarHBondContact O-CD2 3.39Å; L106-L140 HydrophobicContact CD1-CD2 3.97Å; L106-V384 HydrophobicContact CD1-CG1 4.02Å; L106-K385 HydrophobicContact CD1-CB 4.34Å; L106-K385 HydrophobicContact CG-CB 4.41Å; L106-V388 HydrophobicContact CD2-CB 3.72Å; L106-V388 HydrophobicContact CD2-CG1 3.79Å; L106-V388 HydrophobicContact CD2-CG2 4.28Å
107A94.6Very high84.7Confident0 Ų049.5 Ų49.50%025%0.246CC..Hα-helixtrans-60-28.7178.800000112.5A69 L73 V103 E104 E105 Y109 L110 V141A69-A107 HydrophobicContact CB-CB 3.9Å; L73-A107 HydrophobicContact CD1-CB 4.29Å; L73-A107 WeakPolarHBondContact CD2-O 3.22Å; V103-A107 WeakPolarHBondContact O-CB 3.18Å; V103-A107 PolarHBondContact O-N 3.09Å; E104-A107 WeakPolarHBondContact O-CB 3.3Å; E104-A107 PolarHBondContact O-N 2.69Å; E104-A107 VanDerWaalsContact O-N 3.14Å; E105-A107 VanDerWaalsContact C-N 3.34Å; E105-A107 PolarHBondContact O-N 3.28Å; A107-Y109 PolarHBondContact O-N 3.32Å; A107-Y109 VanDerWaalsContact O-N 3.09Å; A107-L110 VanDerWaalsContact O-CB 3.27Å; A107-L110 WeakPolarHBondContact O-CB 3.45Å; A107-L110 PolarHBondContact O-N 3.3Å; A107-V141 HydrophobicContact CB-CG2 3.74Å
108L93.1Very high82.2Confident66 Ų6649.3 Ų49.335%0.34626%0.259SS..G310 helixtrans-55.3-29178.3-58.4178.6000113.3E104 E105 L106 L110 K111E104-L108 PolarHBondContact O-N 2.69Å; E105-L108 VanDerWaalsContact O-CB 3.3Å; E105-L108 WeakPolarHBondContact O-CB 3.43Å; E105-L108 WeakPolarHBondContact O-CG 3.16Å; E105-L108 PolarHBondContact O-N 2.75Å; L106-L108 PolarHBondContact O-N 3.03Å; L108-L110 PolarHBondContact O-N 2.79Å; L108-K111 HydrophobicContact CD2-CD 4.23Å; L108-K111 WeakPolarHBondContact O-CB 3.5Å; L108-K111 WeakPolarHBondContact O-CG 3.47Å; L108-K111 PolarHBondContact O-N 3.17Å
109Y93.1Very high79.4Confident48 Ų4854.2 Ų54.219%0.18829%0.289CS..G310 helixtrans-66.7-12.2175.2-66.2-54.5000114.3L106 A107 P112 L129 V388 H389 V392L106-Y109 HydrophobicContact CD2-CD2 4.44Å; L106-Y109 HydrophobicContact CD2-CE2 4.4Å; L106-Y109 PolarHBondContact O-N 3.14Å; A107-Y109 PolarHBondContact O-N 3.32Å; A107-Y109 VanDerWaalsContact O-N 3.09Å; Y109-P112 WeakPolarHBondContact O-CD 3.45Å; Y109-L129 HydrophobicContact CD2-CD1 4.3Å; Y109-L129 HydrophobicContact CG-CD1 4.09Å; Y109-V388 HydrophobicContact CD2-CG1 4.15Å; Y109-V388 HydrophobicContact CE2-CG1 4.08Å; Y109-H389 AromaticContact CE2-CE1 3.93Å; Y109-H389 PolarHBondContact OH-CD2 2.97Å; Y109-H389 PolarHBondContact OH-NE2 3.32Å; Y109-V392 HydrophobicContact CD1-CG2 4.19Å; Y109-V392 HydrophobicContact CE1-CB 4.08Å; Y109-V392 HydrophobicContact CE1-CG1 3.81Å; Y109-V392 HydrophobicContact CE1-CG2 3.81Å; Y109-V392 HydrophobicContact CE2-CG2 4.3Å
110L91.6Very high76.6Confident0 Ų057.3 Ų57.30%032%0.32CS..G310 helixtrans-85.9-11.4172.2-56.9175.8000113.3F11 L73 A107 L108 P112 L113 S114 Q134 L137 V138F11-L110 HydrophobicContact CD2-CD1 4.38Å; F11-L110 HydrophobicContact CE2-CB 4.2Å; F11-L110 HydrophobicContact CE2-CD1 3.8Å; F11-L110 HydrophobicContact CZ-CB 4Å; F11-L110 HydrophobicContact CZ-CD1 4.12Å; L73-L110 HydrophobicContact CD1-CB 3.88Å; L73-L110 HydrophobicContact CD1-CD1 4.18Å; A107-L110 VanDerWaalsContact O-CB 3.27Å; A107-L110 WeakPolarHBondContact O-CB 3.45Å; A107-L110 PolarHBondContact O-N 3.3Å; L108-L110 PolarHBondContact O-N 2.79Å; L110-P112 VanDerWaalsContact C-N 3.31Å; L110-P112 VanDerWaalsContact O-N 3.16Å; L110-L113 HydrophobicContact CD2-CD1 4.11Å; L110-L113 VanDerWaalsContact O-CB 3.31Å; L110-L113 WeakPolarHBondContact O-CB 3.31Å; L110-L113 PolarHBondContact O-N 2.96Å; L110-S114 PolarHBondContact O-N 3.13Å; L110-Q134 HydrophobicContact CD2-CB 4.16Å; L110-Q134 HydrophobicContact CD2-CG 4.38Å; L110-L137 HydrophobicContact CD1-CD2 4.38Å; L110-L137 HydrophobicContact CD1-CG 4.14Å; L110-L137 HydrophobicContact CD2-CD2 3.77Å; L110-L137 HydrophobicContact CD2-CG 4.13Å; L110-L137 HydrophobicContact CG-CD2 3.78Å; L110-L137 HydrophobicContact CG-CG 4.09Å; L110-V138 HydrophobicContact CD1-CG2 3.68Å; L110-V138 HydrophobicContact CD2-CG2 4.17Å
111K85.6Confident74.1Confident95 Ų9563.8 Ų63.841%0.41336%0.357SS..Hα-helixtrans-50.5-37.4179.5-76.1-173.3170.6-1800115.2Q72 L73 L108 L113 S114Q72-K111 WeakPolarHBondContact O-CE 3.35Å; L73-K111 HydrophobicContact CD2-CB 4.31Å; L73-K111 HydrophobicContact CD2-CD 4.3Å; L73-K111 HydrophobicContact CD2-CG 3.29Å; L108-K111 HydrophobicContact CD2-CD 4.23Å; L108-K111 WeakPolarHBondContact O-CB 3.5Å; L108-K111 WeakPolarHBondContact O-CG 3.47Å; L108-K111 PolarHBondContact O-N 3.17Å; K111-L113 PolarHBondContact O-N 3.03Å; K111-S114 WeakPolarHBondContact O-CB 3.43Å; K111-S114 PolarHBondContact O-N 2.94Å; K111-S114 VanDerWaalsContact O-N 3.12Å
112P76Confident71.1Confident51 Ų5164.3 Ų64.333%0.33137%0.371SS..Hα-helixtrans-61.5-21175.1-25.235.9000114.6Y109 L110 T116Y109-P112 WeakPolarHBondContact O-CD 3.45Å; L110-P112 VanDerWaalsContact C-N 3.31Å; L110-P112 VanDerWaalsContact O-N 3.16Å; P112-T116 WeakPolarHBondContact O-CG2 3.4Å
113L65.4Low68.3Low46 Ų4669.3 Ų69.324%0.24141%0.406CS..Hα-helixtrans-82-39173.6-55.4176.4000111.2F11 L110 K111 N115 T116 Q134F11-L113 HydrophobicContact CE1-CD1 4.22Å; F11-L113 HydrophobicContact CZ-CB 4.45Å; F11-L113 HydrophobicContact CZ-CD1 4.44Å; L110-L113 HydrophobicContact CD2-CD1 4.11Å; L110-L113 VanDerWaalsContact O-CB 3.31Å; L110-L113 WeakPolarHBondContact O-CB 3.31Å; L110-L113 PolarHBondContact O-N 2.96Å; K111-L113 PolarHBondContact O-N 3.03Å; L113-N115 VanDerWaalsContact C-N 3.32Å; L113-N115 PolarHBondContact O-N 3.34Å; L113-T116 WeakPolarHBondContact O-CB 3.17Å; L113-T116 WeakPolarHBondContact O-CG2 3.35Å; L113-T116 PolarHBondContact O-N 3.04Å; L113-T116 VanDerWaalsContact O-N 3.14Å; L113-T116 PolarHBondContact O-OG1 3.46Å; L113-Q134 HydrophobicContact CD1-CB 4.44Å; L113-Q134 HydrophobicContact CD1-CG 4.31Å
114S62Low65.4Low21 Ų2174.7 Ų74.715%0.14744%0.44CS..Hα-helixtrans-54.8-43.6-177.3-55.50000113.4L73 L110 K111 T116L73-S114 WeakPolarHBondContact O-CB 3.22Å; L73-S114 PolarHBondContact O-OG 2.91Å; L73-S114 VanDerWaalsContact O-OG 3.12Å; L110-S114 PolarHBondContact O-N 3.13Å; K111-S114 WeakPolarHBondContact O-CB 3.43Å; K111-S114 PolarHBondContact O-N 2.94Å; K111-S114 VanDerWaalsContact O-N 3.12Å; S114-T116 PolarHBondContact O-N 2.94Å
115N56.5Low63.1Low136 Ų13677.9 Ų77.973%0.72747%0.467SS*.G310 helixtrans-73.6-6.9-176.3-74.729.1000114.1L113 R117L113-N115 VanDerWaalsContact C-N 3.32Å; L113-N115 PolarHBondContact O-N 3.34Å; N115-R117 PolarHBondContact O-N 3.16Å
116T51.6Low61.4Low113 Ų11382.9 Ų82.969%0.69349%0.491SS*.G310 helixtrans-73.8-5.9-172.461.30000115.2P112 L113 S114P112-T116 WeakPolarHBondContact O-CG2 3.4Å; L113-T116 WeakPolarHBondContact O-CB 3.17Å; L113-T116 WeakPolarHBondContact O-CG2 3.35Å; L113-T116 PolarHBondContact O-N 3.04Å; L113-T116 VanDerWaalsContact O-N 3.14Å; L113-T116 PolarHBondContact O-OG1 3.46Å; S114-T116 PolarHBondContact O-N 2.94Å
117R49.2Very low60.2Low150 Ų15084.3 Ų84.357%0.56650%0.5SS*.G310 helixtrans-88.34.1-176.5-163.3170-86.7-178-10.3114.4E10 N115E10-R117 IonicContact OE1-NH2 2.72Å; E10-R117 PolarHBondContact OE1-NH2 3.09Å; N115-R117 PolarHBondContact O-N 3.16Å
118G41.4Very low59.6Low51 Ų5187.8 Ų87.853%0.52652%0.518SS..SBendtrans-156.7140.4175.600000113.8
119V36Very low59.6Low154 Ų15484.9 Ų84.993%0.93350%0.502SS*.  trans67127.2-176.1-166.90000113.9
120G38.4Very low59.5Low64 Ų6484.1 Ų84.166%0.6650%0.504SS*.  trans-89.1171.7-177.800000114.8
121L42.7Very low59.4Low183 Ų18393 Ų9396%0.95854%0.538SS*.  trans62.673.9162.8-59.2174.2000117.6
122S34.6Very low59.8Low102 Ų10291.5 Ų91.571%0.71354%0.538SS*.  trans-147.5123.8141.158.40000111.7T124S122-T124 VanDerWaalsContact C-N 3.29Å; S122-T124 PolarHBondContact O-N 3.14Å
123S38.6Very low60.7Low109 Ų10989.1 Ų89.176%0.76252%0.522SS*.THydrogen-bonded Turntrans-90.122.8-168.4-171.20000114.3
124T36.4Very low62.1Low126 Ų12687.6 Ų87.677%0.77351%0.514SS*.THydrogen-bonded Turntrans-116.8-18-165.1-23.60000114.1S122 Q126S122-T124 VanDerWaalsContact C-N 3.29Å; S122-T124 PolarHBondContact O-N 3.14Å; T124-Q126 PolarHBondContact O-N 3.1Å
125A46Very low63.7Low76 Ų7693.8 Ų93.863%0.62853%0.534SS*.  trans-81.850.8176.400000112.4S127A125-S127 PolarHBondContact O-N 3.29Å
126Q59.3Low65.6Low150 Ų15090.3 Ų90.370%0.70151%0.512SS*.  trans-66.7122.5172.2-63.5-171.99.600108.8T124 M128T124-Q126 PolarHBondContact O-N 3.1Å; Q126-M128 WeakPolarHBondContact O-CE 3.35Å; Q126-M128 PolarHBondContact O-N 3.4Å
127S72.3Confident67.8Low29 Ų2985 Ų8520%0.20348%0.48CS..  trans-60.5136175.5177.30000110.3A125 L129 Q134A125-S127 PolarHBondContact O-N 3.29Å; S127-L129 PolarHBondContact O-N 3.46Å; S127-L129 PolarHBondContact OG-N 3.14Å; S127-Q134 VanDerWaalsContact CB-NE2 3.32Å; S127-Q134 PolarHBondContact OG-NE2 2.89Å
128M83Confident70Confident74 Ų7478 Ų7837%0.36545%0.453SS..SBendtrans-64.4-25.1179.3-56.2-69.393.200112.6Q126 V392 Q396Q126-M128 WeakPolarHBondContact O-CE 3.35Å; Q126-M128 PolarHBondContact O-N 3.4Å; M128-V392 HydrophobicContact CB-CG1 4Å; M128-V392 HydrophobicContact CB-CG2 4.37Å; M128-V392 HydrophobicContact CG-CG1 4.13Å; M128-Q396 HydrophobicContact CG-CG 4.4Å; M128-Q396 HydrophobicContact SD-CG 3.59Å; M128-Q396 VanDerWaalsContact SD-CG 3.59Å
129L91.3Very high72.6Confident4 Ų479.2 Ų79.22%0.02145%0.451CS..SBendtrans-92.3138.5178.2-60.7-172.7000110.7Y109 S127 M133 Q134 L137 V388 L391 V392Y109-L129 HydrophobicContact CD2-CD1 4.3Å; Y109-L129 HydrophobicContact CG-CD1 4.09Å; S127-L129 PolarHBondContact O-N 3.46Å; S127-L129 PolarHBondContact OG-N 3.14Å; L129-M133 HydrophobicContact CB-CB 4.18Å; L129-M133 HydrophobicContact CB-CG 4.16Å; L129-M133 HydrophobicContact CD1-CG 4.1Å; L129-M133 HydrophobicContact CD2-CG 4.06Å; L129-M133 HydrophobicContact CG-CG 4.34Å; L129-Q134 HydrophobicContact CB-CG 4.11Å; L129-Q134 PolarHBondContact O-NE2 3.29Å; L129-L137 HydrophobicContact CD1-CD2 3.69Å; L129-V388 HydrophobicContact CD1-CG1 4.42Å; L129-V388 HydrophobicContact CD2-CG1 4.2Å; L129-L391 HydrophobicContact CD2-CD2 4.5Å; L129-V392 HydrophobicContact CD2-CG2 3.45Å; L129-V392 VanDerWaalsContact CD2-CG2 3.45Å; L129-V392 HydrophobicContact CG-CG2 4.32Å
130S91.1Very high75.6Confident32 Ų3271.9 Ų71.922%0.22441%0.406CS..  trans-64.4158.3173.684.20000112.4P132 M133 Q134 E168S130-P132 WeakPolarHBondContact OG-CD 3.27Å; S130-M133 WeakPolarHBondContact O-CA 3.43Å; S130-M133 WeakPolarHBondContact O-CB 3.39Å; S130-M133 PolarHBondContact O-N 2.93Å; S130-M133 PolarHBondContact OG-N 3.33Å; S130-Q134 VanDerWaalsContact O-CG 3.31Å; S130-Q134 WeakPolarHBondContact O-CG 3.42Å; S130-Q134 PolarHBondContact O-N 3.3Å; S130-E168 WeakPolarHBondContact CB-OE1 3.4Å; S130-E168 WeakPolarHBondContact CB-OE2 3.3Å; S130-E168 PolarHBondContact OG-OE1 3.38Å; S130-E168 PolarHBondContact OG-OE2 3.12Å
131R91.2Very high78.4Confident188 Ų18869 Ų6971%0.70938%0.376SS*.Hα-helixtrans-54.1-44.7173.6-81.6-175.6174.1-168.7-1.9113.6M133 Q134 R135R131-M133 VanDerWaalsContact C-N 3.28Å; R131-M133 PolarHBondContact O-N 2.86Å; R131-Q134 PolarHBondContact O-N 3.06Å; R131-R135 PolarHBondContact O-N 3.09Å
132P92.8Very high80.9Confident63 Ų6361.6 Ų61.641%0.40934%0.336SS..Hα-helixtrans-55.2-38.1170.6-30.435.9000114.6S130 K136S130-P132 WeakPolarHBondContact OG-CD 3.27Å; P132-K136 WeakPolarHBondContact O-CG 3.47Å; P132-K136 PolarHBondContact O-N 3.23Å
133M95.8Very high83.9Confident1 Ų157.4 Ų57.41%0.00531%0.307CS..Hα-helixtrans-72.1-47.4177.6-169.564.684.500111.7L129 S130 R131 R135 K136 L137 L161 R164 T165 L391L129-M133 HydrophobicContact CB-CB 4.18Å; L129-M133 HydrophobicContact CB-CG 4.16Å; L129-M133 HydrophobicContact CD1-CG 4.1Å; L129-M133 HydrophobicContact CD2-CG 4.06Å; L129-M133 HydrophobicContact CG-CG 4.34Å; S130-M133 WeakPolarHBondContact O-CA 3.43Å; S130-M133 WeakPolarHBondContact O-CB 3.39Å; S130-M133 PolarHBondContact O-N 2.93Å; S130-M133 PolarHBondContact OG-N 3.33Å; R131-M133 VanDerWaalsContact C-N 3.28Å; R131-M133 PolarHBondContact O-N 2.86Å; M133-R135 VanDerWaalsContact C-N 3.29Å; M133-R135 PolarHBondContact O-N 2.96Å; M133-K136 PolarHBondContact O-N 2.58Å; M133-L137 WeakPolarHBondContact O-CB 3.33Å; M133-L137 PolarHBondContact O-N 2.89Å; M133-L161 HydrophobicContact CG-CD2 4.42Å; M133-L161 HydrophobicContact SD-CD2 3.42Å; M133-L161 WeakPolarHBondContact SD-CD2 3.24Å; M133-R164 HydrophobicContact CE-CB 4.03Å; M133-R164 HydrophobicContact CE-CG 3.73Å; M133-R164 HydrophobicContact SD-CB 4.3Å; M133-R164 HydrophobicContact SD-CG 4.05Å; M133-T165 WeakPolarHBondContact CE-OG1 3.44Å; M133-L391 HydrophobicContact CE-CD2 3.54Å
134Q94.9Very high86.6Confident13 Ų1352.6 Ų52.66%0.06127%0.272CS..Hα-helixtrans-52.8-45.3174.3-66.1163.75.900111.6W8 L110 L113 S127 L129 S130 R131 L137 V138W8-Q134 HydrophobicContact CH2-CB 4.14Å; W8-Q134 HydrophobicContact CZ3-CB 3.88Å; L110-Q134 HydrophobicContact CD2-CB 4.16Å; L110-Q134 HydrophobicContact CD2-CG 4.38Å; L113-Q134 HydrophobicContact CD1-CB 4.44Å; L113-Q134 HydrophobicContact CD1-CG 4.31Å; S127-Q134 VanDerWaalsContact CB-NE2 3.32Å; S127-Q134 PolarHBondContact OG-NE2 2.89Å; L129-Q134 HydrophobicContact CB-CG 4.11Å; L129-Q134 PolarHBondContact O-NE2 3.29Å; S130-Q134 VanDerWaalsContact O-CG 3.31Å; S130-Q134 WeakPolarHBondContact O-CG 3.42Å; S130-Q134 PolarHBondContact O-N 3.3Å; R131-Q134 PolarHBondContact O-N 3.06Å; Q134-L137 PolarHBondContact O-N 3.44Å; Q134-V138 WeakPolarHBondContact O-CG2 3.39Å; Q134-V138 PolarHBondContact O-N 3.42Å
135R94.4Very high89.4Confident151 Ų15147.1 Ų47.157%0.5724%0.238SC*.Hα-helixtrans-62-44.7178.9-178.7178172.2-160.9-3112.5W8 R131 M133 L137 V138 T139W8-R135 HydrophobicContact CB-CG 4.4Å; W8-R135 HydrophobicContact CD2-CB 3.84Å; W8-R135 HydrophobicContact CD2-CG 3.81Å; W8-R135 HydrophobicContact CE3-CB 3.79Å; W8-R135 HydrophobicContact CE3-CG 4.15Å; W8-R135 HydrophobicContact CG-CB 4.47Å; W8-R135 HydrophobicContact CG-CG 3.91Å; W8-R135 HydrophobicContact CH2-CB 4.21Å; W8-R135 HydrophobicContact CZ2-CB 4.25Å; W8-R135 HydrophobicContact CZ3-CB 3.99Å; R131-R135 PolarHBondContact O-N 3.09Å; M133-R135 VanDerWaalsContact C-N 3.29Å; M133-R135 PolarHBondContact O-N 2.96Å; R135-L137 VanDerWaalsContact C-N 3.33Å; R135-V138 PolarHBondContact O-N 2.87Å; R135-T139 PolarHBondContact O-N 3.29Å; R135-T139 VanDerWaalsContact O-N 3.1Å; R135-T139 PolarHBondContact O-OG1 3.42Å
136K96.9Very high91.6Very high63 Ų6344.3 Ų44.327%0.27421%0.213SC..Hα-helixtrans-67.8-34.2177.5-70176.4-178.3-71.60112P132 M133 T139 L140 S160 L161 R164P132-K136 WeakPolarHBondContact O-CG 3.47Å; P132-K136 PolarHBondContact O-N 3.23Å; M133-K136 PolarHBondContact O-N 2.58Å; K136-T139 WeakPolarHBondContact O-CB 3.36Å; K136-T139 PolarHBondContact O-N 3.21Å; K136-L140 PolarHBondContact O-N 2.98Å; K136-L140 VanDerWaalsContact O-N 3.07Å; K136-S160 WeakPolarHBondContact CD-O 3.39Å; K136-S160 PolarHBondContact NZ-OG 3.48Å; K136-L161 HydrophobicContact CB-CD2 3.58Å; K136-L161 HydrophobicContact CB-CG 3.96Å; K136-R164 HydrophobicContact CD-CB 3.89Å; K136-R164 HydrophobicContact CD-CG 4.21Å
137L97.4Very high93.2Very high2 Ų238 Ų381%0.0118%0.184CC..Hα-helixtrans-67.2-43.1175.2173.656.4000111.3L106 L110 L129 M133 Q134 R135 T139 L140 V141 L161L106-L137 HydrophobicContact CB-CD1 3.78Å; L106-L137 WeakPolarHBondContact O-CD2 3.39Å; L110-L137 HydrophobicContact CD1-CD2 4.38Å; L110-L137 HydrophobicContact CD1-CG 4.14Å; L110-L137 HydrophobicContact CD2-CD2 3.77Å; L110-L137 HydrophobicContact CD2-CG 4.13Å; L110-L137 HydrophobicContact CG-CD2 3.78Å; L110-L137 HydrophobicContact CG-CG 4.09Å; L129-L137 HydrophobicContact CD1-CD2 3.69Å; M133-L137 WeakPolarHBondContact O-CB 3.33Å; M133-L137 PolarHBondContact O-N 2.89Å; Q134-L137 PolarHBondContact O-N 3.44Å; R135-L137 VanDerWaalsContact C-N 3.33Å; L137-T139 VanDerWaalsContact C-N 3.29Å; L137-T139 PolarHBondContact O-N 3.14Å; L137-L140 PolarHBondContact O-N 3.05Å; L137-L140 VanDerWaalsContact O-N 3.14Å; L137-V141 HydrophobicContact CD1-CG2 4.17Å; L137-V141 WeakPolarHBondContact O-CG2 3.4Å; L137-V141 PolarHBondContact O-N 2.99Å; L137-L161 HydrophobicContact CB-CD2 4.23Å
138V96.3Very high94.2Very high3 Ų341.7 Ų41.72%0.01820%0.198CC..Hα-helixtrans-57.8-41170.5166.80000111.4W8 F11 L110 Q134 R135 L140 V141 H142W8-V138 HydrophobicContact CE3-CG2 4.32Å; F11-V138 HydrophobicContact CB-CG1 3.71Å; F11-V138 HydrophobicContact CB-CG2 4.32Å; F11-V138 HydrophobicContact CD1-CG2 3.86Å; F11-V138 HydrophobicContact CD2-CG2 4.18Å; F11-V138 HydrophobicContact CE1-CG2 4.22Å; F11-V138 HydrophobicContact CE2-CG2 4.5Å; F11-V138 HydrophobicContact CG-CG1 4.18Å; F11-V138 HydrophobicContact CG-CG2 3.86Å; L110-V138 HydrophobicContact CD1-CG2 3.68Å; L110-V138 HydrophobicContact CD2-CG2 4.17Å; Q134-V138 WeakPolarHBondContact O-CG2 3.39Å; Q134-V138 PolarHBondContact O-N 3.42Å; R135-V138 PolarHBondContact O-N 2.87Å; V138-L140 PolarHBondContact O-N 3.18Å; V138-V141 PolarHBondContact O-N 3.09Å; V138-H142 PolarHBondContact O-CD2 2.99Å; V138-H142 PolarHBondContact O-N 3.37Å; V138-H142 VanDerWaalsContact O-N 3.14Å
139T96.6Very high94.7Very high76 Ų7642.7 Ų42.747%0.46620%0.202SC..Hα-helixtrans-60.1-42.1173.9-55.10000112.6R135 K136 L137 C143 A157R135-T139 PolarHBondContact O-N 3.29Å; R135-T139 VanDerWaalsContact O-N 3.1Å; R135-T139 PolarHBondContact O-OG1 3.42Å; K136-T139 WeakPolarHBondContact O-CB 3.36Å; K136-T139 PolarHBondContact O-N 3.21Å; L137-T139 VanDerWaalsContact C-N 3.29Å; L137-T139 PolarHBondContact O-N 3.14Å; T139-C143 PolarHBondContact O-SG 3.42Å; T139-A157 HydrophobicContact CG2-CB 4.45Å
140L97.9Very high94.8Very high1 Ų142.5 Ų42.51%0.00520%0.201CC..Hα-helixtrans-64.8-4517517759.8000111.8V103 L106 K136 L137 V138 H142 C143 A154 A157 L161 L381 V384V103-L140 HydrophobicContact CG2-CD1 4.28Å; V103-L140 HydrophobicContact CG2-CD2 4.4Å; V103-L140 HydrophobicContact CG2-CG 4.19Å; L106-L140 HydrophobicContact CD1-CD2 3.97Å; K136-L140 PolarHBondContact O-N 2.98Å; K136-L140 VanDerWaalsContact O-N 3.07Å; L137-L140 PolarHBondContact O-N 3.05Å; L137-L140 VanDerWaalsContact O-N 3.14Å; V138-L140 PolarHBondContact O-N 3.18Å; L140-H142 PolarHBondContact O-N 3.3Å; L140-C143 WeakPolarHBondContact O-CB 3.42Å; L140-C143 PolarHBondContact O-N 3.14Å; L140-A154 HydrophobicContact CD1-CB 3.95Å; L140-A157 HydrophobicContact CB-CB 3.98Å; L140-A157 HydrophobicContact CD1-CB 4.21Å; L140-L161 HydrophobicContact CB-CD1 4.04Å; L140-L161 HydrophobicContact CD2-CD1 3.67Å; L140-L161 HydrophobicContact CG-CD1 4.5Å; L140-L381 HydrophobicContact CD1-CD2 3.71Å; L140-L381 HydrophobicContact CD2-CD2 4.16Å; L140-V384 HydrophobicContact CD2-CG1 4.34Å
141V97.1Very high95Very high2 Ų242.1 Ų42.11%0.01219%0.194CC..Hα-helixtrans-62.8-26-178.6170.80000112.9N67 A69 L70 V103 A107 L137 V138N67-V141 PolarHBondContact ND2-O 2.99Å; A69-V141 HydrophobicContact CB-CG1 4.21Å; L70-V141 HydrophobicContact CD2-CG1 3.65Å; L70-V141 HydrophobicContact CG-CG1 3.84Å; V103-V141 HydrophobicContact CG1-CG2 4.11Å; A107-V141 HydrophobicContact CB-CG2 3.74Å; L137-V141 HydrophobicContact CD1-CG2 4.17Å; L137-V141 WeakPolarHBondContact O-CG2 3.4Å; L137-V141 PolarHBondContact O-N 2.99Å; V138-V141 PolarHBondContact O-N 3.09Å
142H96Very high95.3Very high29 Ų2933.9 Ų33.913%0.13416%0.164CC..THydrogen-bonded Turntrans-84.3-0.7175.4-70.3-53.3000115.1F11 S30 G34 T36 V138 L140F11-H142 WeakPolarHBondContact CB-NE2 3.12Å; S30-H142 WeakPolarHBondContact CB-O 3.17Å; G34-H142 WeakPolarHBondContact O-CB 3.46Å; T36-H142 PolarHBondContact OG1-ND1 3.46Å; V138-H142 PolarHBondContact O-CD2 2.99Å; V138-H142 PolarHBondContact O-N 3.37Å; V138-H142 VanDerWaalsContact O-N 3.14Å; L140-H142 PolarHBondContact O-N 3.3Å
143C96.6Very high95.4Very high13 Ų1333.9 Ų33.99%0.08816%0.156CC..  trans-76.4132.8179.5-64.70000112T139 L140 L145 A154T139-C143 PolarHBondContact O-SG 3.42Å; L140-C143 WeakPolarHBondContact O-CB 3.42Å; L140-C143 PolarHBondContact O-N 3.14Å; C143-L145 HydrophobicContact CB-CD2 4.41Å; C143-L145 PolarHBondContact O-N 2.97Å; C143-A154 HydrophobicContact CB-CB 3.92Å
144Q95.6Very high95.5Very high9 Ų933.8 Ų33.84%0.04216%0.156CC..  trans-91.995178.4179.851.6-84.200111.2S30 L64 V146 E147 G150S30-Q144 WeakPolarHBondContact O-CG 2.86Å; S30-Q144 PolarHBondContact O-NE2 3.06Å; L64-Q144 HydrophobicContact CD2-CG 4.08Å; Q144-V146 HydrophobicContact CG-CG2 4.05Å; Q144-V146 PolarHBondContact O-N 2.94Å; Q144-V146 VanDerWaalsContact O-N 3.16Å; Q144-E147 HydrophobicContact CG-CB 4.26Å; Q144-E147 HydrophobicContact CG-CG 4.06Å; Q144-E147 WeakPolarHBondContact CG-OE2 3.37Å; Q144-E147 PolarHBondContact O-N 3.46Å; Q144-E147 VanDerWaalsContact O-N 3.13Å; Q144-G150 WeakPolarHBondContact O-CA 3.38Å
145L95.1Very high95.7Very high11 Ų1134.1 Ų34.16%0.05816%0.158CC..THydrogen-bonded Turntrans-66.7-18-168.4-56.5-176.8000115.1Y96 A99 V103 C143 R151 A154 W374 L377 L381Y96-L145 HydrophobicContact CD2-CB 4.24Å; Y96-L145 HydrophobicContact CE2-CB 4.07Å; A99-L145 HydrophobicContact CB-CD1 4.22Å; V103-L145 HydrophobicContact CG2-CD1 4.4Å; C143-L145 HydrophobicContact CB-CD2 4.41Å; C143-L145 PolarHBondContact O-N 2.97Å; L145-R151 WeakPolarHBondContact O-CG 3.35Å; L145-R151 PolarHBondContact O-NH1 3.49Å; L145-A154 HydrophobicContact CD2-CB 3.6Å; L145-W374 WeakPolarHBondContact O-CH2 3.35Å; L145-L377 HydrophobicContact CD2-CD1 4.4Å; L145-L381 HydrophobicContact CD1-CD1 4.17Å; L145-L381 HydrophobicContact CD2-CD1 4.38Å
146V93.3Very high95.8Very high16 Ų1630.1 Ų30.110%0.09714%0.143CC..THydrogen-bonded Turntrans-75.3-28.5175.6-50.10000112.3L64 P65 V84 L86 Y96 Q144 R151L64-V146 HydrophobicContact CD2-CG2 3.94Å; P65-V146 HydrophobicContact CG-CG1 3.68Å; P65-V146 HydrophobicContact CG-CG2 4.35Å; V84-V146 HydrophobicContact CG1-CG1 3.74Å; L86-V146 HydrophobicContact CD1-CB 4.33Å; L86-V146 HydrophobicContact CD1-CG2 3.95Å; Y96-V146 HydrophobicContact CD2-CG1 4.43Å; Y96-V146 HydrophobicContact CE2-CG1 3.67Å; Q144-V146 HydrophobicContact CG-CG2 4.05Å; Q144-V146 PolarHBondContact O-N 2.94Å; Q144-V146 VanDerWaalsContact O-N 3.16Å; V146-R151 PolarHBondContact O-NH1 3.44Å
147E92.7Very high95.8Very high18 Ų1827.5 Ų27.58%0.08413%0.133CC..SBendtrans-90.9139.3178.6-67.6-179.8132.900110.4G32 T59 L64 Q144 E149 G150 R151G32-E147 VanDerWaalsContact CA-OE2 3.27Å; G32-E147 WeakPolarHBondContact CA-OE2 3.47Å; G32-E147 PolarHBondContact N-OE2 3.46Å; T59-E147 PolarHBondContact OG1-OE1 3.26Å; L64-E147 HydrophobicContact CD2-CG 4.1Å; Q144-E147 HydrophobicContact CG-CB 4.26Å; Q144-E147 HydrophobicContact CG-CG 4.06Å; Q144-E147 WeakPolarHBondContact CG-OE2 3.37Å; Q144-E147 PolarHBondContact O-N 3.46Å; Q144-E147 VanDerWaalsContact O-N 3.13Å; E147-E149 PolarHBondContact O-N 3.03Å; E147-G150 WeakPolarHBondContact O-CA 3.46Å; E147-G150 PolarHBondContact O-N 3.37Å; E147-R151 PolarHBondContact O-N 2.88Å
148E92.9Very high95.9Very high107 Ų10727.4 Ų27.450%0.513%0.132SC..Hα-helixtrans-60.4-46.7-176.1-171.8162.6110.600112.9G150 R151 V152 P371E148-G150 PolarHBondContact O-N 3.47Å; E148-R151 PolarHBondContact O-N 3.25Å; E148-R151 IonicContact OE2-NH2 2.94Å; E148-R151 PolarHBondContact OE2-NH2 2.75Å; E148-V152 WeakPolarHBondContact O-CG2 3.47Å; E148-V152 PolarHBondContact O-N 2.98Å; E148-P371 VanDerWaalsContact CD-CB 3.47Å; E148-P371 HydrophobicContact CG-CB 3.44Å; E148-P371 VanDerWaalsContact CG-CB 3.44Å; E148-P371 HydrophobicContact CG-CG 4.26Å
149E92.4Very high96Very high95 Ų9528 Ų2844%0.44413%0.134SC..Hα-helixtrans-50.3-37.2169.9-80.6-70.6100.400112.7E147 R153E147-E149 PolarHBondContact O-N 3.03Å; E149-R153 VanDerWaalsContact CD-NH1 3.3Å; E149-R153 WeakPolarHBondContact O-CG 3.25Å; E149-R153 PolarHBondContact O-N 3.5Å; E149-R153 VanDerWaalsContact O-N 3.14Å; E149-R153 PolarHBondContact O-NH1 3.37Å; E149-R153 IonicContact OE1-NH1 2.7Å; E149-R153 IonicContact OE2-CZ 2.58Å; E149-R153 IonicContact OE2-NH1 3.25Å; E149-R153 PolarHBondContact OE2-NH1 2.89Å; E149-R153 IonicContact OE2-NH2 2.86Å; E149-R153 PolarHBondContact OE2-NH2 3.22Å
150G94.3Very high96Very high0 Ų026 Ų260%012%0.123CC..Hα-helixtrans-76.5-38177.700000113.1Q144 E147 E148 R153 A154Q144-G150 WeakPolarHBondContact O-CA 3.38Å; E147-G150 WeakPolarHBondContact O-CA 3.46Å; E147-G150 PolarHBondContact O-N 3.37Å; E148-G150 PolarHBondContact O-N 3.47Å; G150-R153 PolarHBondContact O-N 3.07Å; G150-A154 WeakPolarHBondContact O-CB 3.49Å; G150-A154 PolarHBondContact O-N 2.68Å
151R95.8Very high96Very high24 Ų2426 Ų269%0.09112%0.123CC..Hα-helixtrans-61.6-44.7171.8-64.6-167.3-71.8-79.73.4111.8L145 V146 E147 E148 A154 M155 P372 L377L145-R151 WeakPolarHBondContact O-CG 3.35Å; L145-R151 PolarHBondContact O-NH1 3.49Å; V146-R151 PolarHBondContact O-NH1 3.44Å; E147-R151 PolarHBondContact O-N 2.88Å; E148-R151 PolarHBondContact O-N 3.25Å; E148-R151 IonicContact OE2-NH2 2.94Å; E148-R151 PolarHBondContact OE2-NH2 2.75Å; R151-A154 WeakPolarHBondContact O-CB 3.4Å; R151-A154 PolarHBondContact O-N 2.94Å; R151-M155 PolarHBondContact O-N 3.02Å; R151-P372 HydrophobicContact CB-CG 3.82Å; R151-L377 HydrophobicContact CB-CD1 4.2Å; R151-L377 HydrophobicContact CB-CD2 4.49Å; R151-L377 HydrophobicContact CG-CD1 4.43Å; R151-L377 HydrophobicContact CG-CD2 3.86Å
152V96.2Very high96.1Very high14 Ų1425.9 Ų25.99%0.08512%0.122CC..Hα-helixtrans-60.4-46.4176.6171.80000111.1E148 A154 M155 R156 P371E148-V152 WeakPolarHBondContact O-CG2 3.47Å; E148-V152 PolarHBondContact O-N 2.98Å; V152-A154 PolarHBondContact O-N 3.3Å; V152-M155 PolarHBondContact O-N 3.38Å; V152-R156 PolarHBondContact O-N 2.87Å; V152-R156 VanDerWaalsContact O-N 3.16Å; V152-P371 HydrophobicContact CG2-CB 4.13Å
153R95.9Very high96.1Very high63 Ų6326.3 Ų26.324%0.23813%0.125CC..Hα-helixtrans-62.7-39.6174.3-77167.9-173.367.2-7.8112.5G32 C33 E149 G150 M155 R156 A157G32-R153 WeakPolarHBondContact O-CD 3.48Å; G32-R153 PolarHBondContact O-NE 3.48Å; G32-R153 VanDerWaalsContact O-NE 3.14Å; G32-R153 PolarHBondContact O-NH1 3.34Å; C33-R153 PolarHBondContact O-NE 3.43Å; E149-R153 VanDerWaalsContact CD-NH1 3.3Å; E149-R153 WeakPolarHBondContact O-CG 3.25Å; E149-R153 PolarHBondContact O-N 3.5Å; E149-R153 VanDerWaalsContact O-N 3.14Å; E149-R153 PolarHBondContact O-NH1 3.37Å; E149-R153 IonicContact OE1-NH1 2.7Å; E149-R153 IonicContact OE2-CZ 2.58Å; E149-R153 IonicContact OE2-NH1 3.25Å; E149-R153 PolarHBondContact OE2-NH1 2.89Å; E149-R153 IonicContact OE2-NH2 2.86Å; E149-R153 PolarHBondContact OE2-NH2 3.22Å; G150-R153 PolarHBondContact O-N 3.07Å; R153-M155 PolarHBondContact O-N 3.14Å; R153-R156 PolarHBondContact O-N 2.79Å; R153-A157 WeakPolarHBondContact O-CB 3.33Å; R153-A157 PolarHBondContact O-N 3.5Å
154A97.7Very high96.1Very high0 Ų028.6 Ų28.60%013%0.131CC..Hα-helixtrans-61.3-42.6177.700000111.9L140 C143 L145 G150 R151 V152 A157 A158 L377L140-A154 HydrophobicContact CD1-CB 3.95Å; C143-A154 HydrophobicContact CB-CB 3.92Å; L145-A154 HydrophobicContact CD2-CB 3.6Å; G150-A154 WeakPolarHBondContact O-CB 3.49Å; G150-A154 PolarHBondContact O-N 2.68Å; R151-A154 WeakPolarHBondContact O-CB 3.4Å; R151-A154 PolarHBondContact O-N 2.94Å; V152-A154 PolarHBondContact O-N 3.3Å; A154-A157 PolarHBondContact O-N 2.91Å; A154-A158 WeakPolarHBondContact O-CB 3.2Å; A154-A158 PolarHBondContact O-N 3.13Å; A154-L377 HydrophobicContact CB-CD1 4.14Å
155M98.1Very high96.1Very high19 Ų1928.1 Ų28.19%0.09413%0.129CC..Hα-helixtrans-66.3-43.3176.9-69.5-62-85.200112.7R151 V152 R153 A157 A158 R159 I363 P372 Q376 L377R151-M155 PolarHBondContact O-N 3.02Å; V152-M155 PolarHBondContact O-N 3.38Å; R153-M155 PolarHBondContact O-N 3.14Å; M155-A157 VanDerWaalsContact C-N 3.31Å; M155-A157 PolarHBondContact O-N 3.18Å; M155-A158 PolarHBondContact O-N 2.97Å; M155-R159 WeakPolarHBondContact O-CB 3.47Å; M155-R159 PolarHBondContact O-N 3.31Å; M155-I363 HydrophobicContact CB-CG2 4.17Å; M155-I363 HydrophobicContact CE-CD1 3.69Å; M155-I363 HydrophobicContact CE-CG1 3.99Å; M155-I363 HydrophobicContact SD-CD1 4.31Å; M155-P372 HydrophobicContact CG-CB 3.88Å; M155-P372 HydrophobicContact CG-CG 3.75Å; M155-Q376 VanDerWaalsContact CE-O 3.27Å; M155-Q376 WeakPolarHBondContact CE-O 3.44Å; M155-L377 HydrophobicContact CG-CD1 4.19Å; M155-L377 HydrophobicContact SD-CD1 4.25Å
156R96.9Very high96.2Very high68 Ų6827.6 Ų27.626%0.25713%0.126SC..Hα-helixtrans-61.2-38.8172.9-66.3-177.5-171.3127.611.3111.8V152 R153 S160 S366 P367V152-R156 PolarHBondContact O-N 2.87Å; V152-R156 VanDerWaalsContact O-N 3.16Å; R153-R156 PolarHBondContact O-N 2.79Å; R156-S160 WeakPolarHBondContact O-CB 3.36Å; R156-S160 PolarHBondContact O-N 3.33Å; R156-S160 VanDerWaalsContact O-N 3.12Å; R156-S366 PolarHBondContact NE-O 2.82Å; R156-S366 PolarHBondContact NH2-O 3.08Å; R156-P367 VanDerWaalsContact NH2-CA 3.29Å; R156-P367 PolarHBondContact NH2-O 3.27Å
157A97.7Very high96.2Very high8 Ų828.2 Ų28.27%0.06613%0.13CC..Hα-helixtrans-67.8-43.1175.900000112.4T139 L140 R153 A154 M155 S160 L161T139-A157 HydrophobicContact CG2-CB 4.45Å; L140-A157 HydrophobicContact CB-CB 3.98Å; L140-A157 HydrophobicContact CD1-CB 4.21Å; R153-A157 WeakPolarHBondContact O-CB 3.33Å; R153-A157 PolarHBondContact O-N 3.5Å; A154-A157 PolarHBondContact O-N 2.91Å; M155-A157 VanDerWaalsContact C-N 3.31Å; M155-A157 PolarHBondContact O-N 3.18Å; A157-S160 PolarHBondContact O-N 3.3Å; A157-L161 WeakPolarHBondContact O-CB 3.26Å; A157-L161 WeakPolarHBondContact O-CG 3.44Å; A157-L161 PolarHBondContact O-N 2.94Å
158A98.4Very high96.2Very high0 Ų028 Ų280%013%0.129CC..Hα-helixtrans-60.3-47.8176.500000112A154 M155 S160 L161 G162 L360 L381 V384A154-A158 WeakPolarHBondContact O-CB 3.2Å; A154-A158 PolarHBondContact O-N 3.13Å; M155-A158 PolarHBondContact O-N 2.97Å; A158-S160 VanDerWaalsContact C-N 3.32Å; A158-S160 PolarHBondContact O-N 3.2Å; A158-L161 PolarHBondContact O-N 3.36Å; A158-G162 PolarHBondContact O-N 3.11Å; A158-L360 HydrophobicContact CB-CD2 4.1Å; A158-L381 HydrophobicContact CB-CD2 4.36Å; A158-V384 HydrophobicContact CB-CB 4.05Å; A158-V384 HydrophobicContact CB-CG1 3.81Å; A158-V384 HydrophobicContact CB-CG2 4.49Å
159R97.9Very high96.2Very high15 Ų1523 Ų236%0.05711%0.106CC..Hα-helixtrans-51.9-51.5171-178.2-173-154.8-77.5-6.1111.3M155 L161 G162 E163 P327 F330 L360 A361 I363M155-R159 WeakPolarHBondContact O-CB 3.47Å; M155-R159 PolarHBondContact O-N 3.31Å; R159-L161 VanDerWaalsContact C-N 3.32Å; R159-L161 PolarHBondContact O-N 3.36Å; R159-G162 PolarHBondContact O-N 3.1Å; R159-G162 VanDerWaalsContact O-N 3.15Å; R159-E163 IonicContact NH1-OE2 3.73Å; R159-E163 PolarHBondContact O-N 2.96Å; R159-P327 PolarHBondContact NH2-O 3.18Å; R159-F330 HydrophobicContact CG-CD1 3.91Å; R159-F330 HydrophobicContact CG-CE1 3.97Å; R159-F330 VanDerWaalsContact O-CE1 3.31Å; R159-F330 WeakPolarHBondContact O-CE1 3.28Å; R159-L360 WeakPolarHBondContact CG-O 3.43Å; R159-A361 PolarHBondContact NH2-O 3.47Å; R159-I363 HydrophobicContact CB-CB 4.2Å; R159-I363 HydrophobicContact CB-CD1 4.32Å; R159-I363 HydrophobicContact CB-CG2 4.26Å; R159-I363 WeakPolarHBondContact CD-O 3.42Å; R159-I363 HydrophobicContact CG-CB 4.4Å; R159-I363 PolarHBondContact NE-O 3.42Å
160S97.3Very high96.1Very high33 Ų3318.7 Ų18.723%0.2319%0.086CC..Hα-helixtrans-70-26.8-174.5-1460000113.6K136 R156 A157 A158 R164K136-S160 WeakPolarHBondContact CD-O 3.39Å; K136-S160 PolarHBondContact NZ-OG 3.48Å; R156-S160 WeakPolarHBondContact O-CB 3.36Å; R156-S160 PolarHBondContact O-N 3.33Å; R156-S160 VanDerWaalsContact O-N 3.12Å; A157-S160 PolarHBondContact O-N 3.3Å; A158-S160 VanDerWaalsContact C-N 3.32Å; A158-S160 PolarHBondContact O-N 3.2Å; S160-R164 VanDerWaalsContact O-CB 3.28Å; S160-R164 WeakPolarHBondContact O-CB 3.31Å; S160-R164 PolarHBondContact O-N 3.12Å
161L98.3Very high95.9Very high1 Ų122.2 Ų22.21%0.00510%0.104CC..Hα-helixtrans-70.9-42168.9-79.6166.5000111.9M133 K136 L137 L140 A157 A158 R159 R164 T165 V384M133-L161 HydrophobicContact CG-CD2 4.42Å; M133-L161 HydrophobicContact SD-CD2 3.42Å; M133-L161 WeakPolarHBondContact SD-CD2 3.24Å; K136-L161 HydrophobicContact CB-CD2 3.58Å; K136-L161 HydrophobicContact CB-CG 3.96Å; L137-L161 HydrophobicContact CB-CD2 4.23Å; L140-L161 HydrophobicContact CB-CD1 4.04Å; L140-L161 HydrophobicContact CD2-CD1 3.67Å; L140-L161 HydrophobicContact CG-CD1 4.5Å; A157-L161 WeakPolarHBondContact O-CB 3.26Å; A157-L161 WeakPolarHBondContact O-CG 3.44Å; A157-L161 PolarHBondContact O-N 2.94Å; A158-L161 PolarHBondContact O-N 3.36Å; R159-L161 VanDerWaalsContact C-N 3.32Å; R159-L161 PolarHBondContact O-N 3.36Å; L161-R164 PolarHBondContact O-N 3.4Å; L161-T165 WeakPolarHBondContact O-CB 3.46Å; L161-T165 PolarHBondContact O-N 3.49Å; L161-T165 PolarHBondContact O-OG1 2.97Å; L161-V384 HydrophobicContact CB-CG2 3.42Å; L161-V384 VanDerWaalsContact CB-CG2 3.42Å; L161-V384 HydrophobicContact CD1-CG2 3.86Å; L161-V384 HydrophobicContact CG-CG2 4.27Å
162G97.9Very high95.5Very high0 Ų024.1 Ų24.10%011%0.114CC..Hα-helixtrans-61.1-50.3174.700000112.5A158 R159 R164 T165 V166 F330A158-G162 PolarHBondContact O-N 3.11Å; R159-G162 PolarHBondContact O-N 3.1Å; R159-G162 VanDerWaalsContact O-N 3.15Å; G162-R164 VanDerWaalsContact C-N 3.31Å; G162-R164 PolarHBondContact O-N 2.85Å; G162-T165 WeakPolarHBondContact O-CA 3.33Å; G162-T165 WeakPolarHBondContact O-CB 3.49Å; G162-T165 PolarHBondContact O-N 2.81Å; G162-V166 PolarHBondContact O-N 3.31Å; G162-F330 VanDerWaalsContact C-CZ 3.43Å
163E96.6Very high95Very high39 Ų3924.7 Ų24.718%0.18212%0.116CC..Hα-helixtrans-58.7-41.7177-175.9170.8-139.200112.2R159 T165 T167 F330R159-E163 IonicContact NH1-OE2 3.73Å; R159-E163 PolarHBondContact O-N 2.96Å; E163-T165 VanDerWaalsContact C-N 3.32Å; E163-T165 PolarHBondContact O-N 3.22Å; E163-T167 PolarHBondContact O-N 3.46Å; E163-T167 VanDerWaalsContact O-N 3.13Å; E163-T167 PolarHBondContact O-OG1 3.19Å; E163-F330 HydrophobicContact CB-CB 4.37Å; E163-F330 HydrophobicContact CB-CD1 3.77Å; E163-F330 HydrophobicContact CB-CD2 3.88Å; E163-F330 HydrophobicContact CB-CE1 4.04Å; E163-F330 HydrophobicContact CB-CE2 4.17Å; E163-F330 HydrophobicContact CB-CG 3.73Å; E163-F330 HydrophobicContact CB-CZ 4.27Å; E163-F330 HydrophobicContact CG-CB 4.09Å; E163-F330 HydrophobicContact CG-CD1 4.39Å; E163-F330 HydrophobicContact CG-CD2 4.21Å; E163-F330 HydrophobicContact CG-CG 3.97Å; E163-F330 VanDerWaalsContact N-CZ 3.26Å
164R96Very high94.6Very high60 Ų6022.8 Ų22.823%0.22611%0.109CC..Hα-helixtrans-67.2-34.2174.4-176.659.9-162.8171.28112.3M133 K136 S160 L161 G162 T167 E168M133-R164 HydrophobicContact CE-CB 4.03Å; M133-R164 HydrophobicContact CE-CG 3.73Å; M133-R164 HydrophobicContact SD-CB 4.3Å; M133-R164 HydrophobicContact SD-CG 4.05Å; K136-R164 HydrophobicContact CD-CB 3.89Å; K136-R164 HydrophobicContact CD-CG 4.21Å; S160-R164 VanDerWaalsContact O-CB 3.28Å; S160-R164 WeakPolarHBondContact O-CB 3.31Å; S160-R164 PolarHBondContact O-N 3.12Å; L161-R164 PolarHBondContact O-N 3.4Å; G162-R164 VanDerWaalsContact C-N 3.31Å; G162-R164 PolarHBondContact O-N 2.85Å; R164-T167 WeakPolarHBondContact O-CB 3.41Å; R164-T167 PolarHBondContact O-N 3.29Å; R164-E168 IonicContact CZ-OE1 3.23Å; R164-E168 IonicContact NE-OE1 3.53Å; R164-E168 PolarHBondContact NE-OE1 3.48Å; R164-E168 IonicContact NH2-OE1 3.19Å; R164-E168 PolarHBondContact NH2-OE1 3.23Å; R164-E168 PolarHBondContact O-N 2.96Å
165T97.1Very high94Very high0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-66.4-46.9178.5-64.40000110.8M133 L161 G162 E163 T167 E168 L169 V387 L391M133-T165 WeakPolarHBondContact CE-OG1 3.44Å; L161-T165 WeakPolarHBondContact O-CB 3.46Å; L161-T165 PolarHBondContact O-N 3.49Å; L161-T165 PolarHBondContact O-OG1 2.97Å; G162-T165 WeakPolarHBondContact O-CA 3.33Å; G162-T165 WeakPolarHBondContact O-CB 3.49Å; G162-T165 PolarHBondContact O-N 2.81Å; E163-T165 VanDerWaalsContact C-N 3.32Å; E163-T165 PolarHBondContact O-N 3.22Å; T165-T167 VanDerWaalsContact C-N 3.28Å; T165-T167 PolarHBondContact O-N 3.45Å; T165-E168 PolarHBondContact O-N 2.78Å; T165-E168 VanDerWaalsContact O-N 3.1Å; T165-L169 HydrophobicContact CG2-CD1 4.13Å; T165-L169 HydrophobicContact CG2-CG 4.36Å; T165-L169 WeakPolarHBondContact O-CG 3.35Å; T165-L169 PolarHBondContact O-N 3.35Å; T165-V387 HydrophobicContact CG2-CG1 3.41Å; T165-V387 VanDerWaalsContact CG2-CG1 3.41Å; T165-L391 HydrophobicContact CG2-CB 3.76Å; T165-L391 HydrophobicContact CG2-CD1 4.44Å; T165-L391 HydrophobicContact CG2-CD2 4.07Å; T165-L391 HydrophobicContact CG2-CG 4.3Å
166V95.9Very high93.3Very high0 Ų029.3 Ų29.30%015%0.15CC..Hα-helixtrans-56.7-44.8174.2174.80000111.1G162 E168 L169 I170 F330 S333 V334 L337 L357G162-V166 PolarHBondContact O-N 3.31Å; V166-E168 VanDerWaalsContact C-N 3.32Å; V166-E168 PolarHBondContact O-N 2.76Å; V166-L169 PolarHBondContact O-N 2.89Å; V166-I170 HydrophobicContact CG1-CD1 3.88Å; V166-I170 HydrophobicContact CG1-CG1 4.46Å; V166-I170 WeakPolarHBondContact O-CG1 3.14Å; V166-I170 PolarHBondContact O-N 3.47Å; V166-F330 HydrophobicContact CG2-CE2 3.94Å; V166-S333 WeakPolarHBondContact CG1-O 3.46Å; V166-V334 HydrophobicContact CG2-CG2 4.15Å; V166-L337 HydrophobicContact CG1-CB 4.05Å; V166-L337 HydrophobicContact CG1-CD2 4.2Å; V166-L337 HydrophobicContact CG2-CD2 4.3Å; V166-L357 HydrophobicContact CG2-CD1 3.79Å; V166-L357 HydrophobicContact CG2-CD2 3.48Å; V166-L357 VanDerWaalsContact CG2-CD2 3.48Å; V166-L357 HydrophobicContact CG2-CG 4.19Å
167T93.1Very high92.8Very high28 Ų2834.2 Ų34.217%0.17218%0.176CC..Hα-helixtrans-58.1-42.7176.2-57.20000112E163 R164 T165 L171E163-T167 PolarHBondContact O-N 3.46Å; E163-T167 VanDerWaalsContact O-N 3.13Å; E163-T167 PolarHBondContact O-OG1 3.19Å; R164-T167 WeakPolarHBondContact O-CB 3.41Å; R164-T167 PolarHBondContact O-N 3.29Å; T165-T167 VanDerWaalsContact C-N 3.28Å; T165-T167 PolarHBondContact O-N 3.45Å; T167-L171 HydrophobicContact CG2-CD1 4.18Å; T167-L171 WeakPolarHBondContact O-CB 3.31Å; T167-L171 VanDerWaalsContact O-CG 3.25Å; T167-L171 WeakPolarHBondContact O-CG 3.47Å; T167-L171 PolarHBondContact O-N 3.08Å; T167-L171 VanDerWaalsContact O-N 3.11Å
168E93.1Very high92.3Very high15 Ų1538.8 Ų38.87%0.0720%0.196CC..Hα-helixtrans-72.7-36.6178.5-72.3-174.1-151.700112.8S130 R164 T165 V166 L171 Q172 L391S130-E168 WeakPolarHBondContact CB-OE1 3.4Å; S130-E168 WeakPolarHBondContact CB-OE2 3.3Å; S130-E168 PolarHBondContact OG-OE1 3.38Å; S130-E168 PolarHBondContact OG-OE2 3.12Å; R164-E168 IonicContact CZ-OE1 3.23Å; R164-E168 IonicContact NE-OE1 3.53Å; R164-E168 PolarHBondContact NE-OE1 3.48Å; R164-E168 IonicContact NH2-OE1 3.19Å; R164-E168 PolarHBondContact NH2-OE1 3.23Å; R164-E168 PolarHBondContact O-N 2.96Å; T165-E168 PolarHBondContact O-N 2.78Å; T165-E168 VanDerWaalsContact O-N 3.1Å; V166-E168 VanDerWaalsContact C-N 3.32Å; V166-E168 PolarHBondContact O-N 2.76Å; E168-L171 PolarHBondContact O-N 2.97Å; E168-Q172 VanDerWaalsContact O-CG 3.29Å; E168-Q172 WeakPolarHBondContact O-CG 3.49Å; E168-Q172 PolarHBondContact O-N 3.16Å; E168-Q172 VanDerWaalsContact O-N 3.16Å; E168-L391 HydrophobicContact CB-CD1 4.07Å; E168-L391 HydrophobicContact CB-CD2 4.37Å
169L93.2Very high91.9Very high1 Ų139.3 Ų39.31%0.00520%0.199CC..Hα-helixtrans-62.7-45.3172.8-68.3176.3000111.7T165 V166 L171 Q172 H173 L337 L350 L353 L391 F394T165-L169 HydrophobicContact CG2-CD1 4.13Å; T165-L169 HydrophobicContact CG2-CG 4.36Å; T165-L169 WeakPolarHBondContact O-CG 3.35Å; T165-L169 PolarHBondContact O-N 3.35Å; V166-L169 PolarHBondContact O-N 2.89Å; L169-L171 VanDerWaalsContact C-N 3.33Å; L169-L171 PolarHBondContact O-N 3.41Å; L169-Q172 PolarHBondContact O-N 3.29Å; L169-H173 PolarHBondContact O-N 3.12Å; L169-H173 PolarHBondContact O-ND1 3.31Å; L169-L337 HydrophobicContact CB-CD1 3.73Å; L169-L337 HydrophobicContact CB-CD2 4.1Å; L169-L337 HydrophobicContact CD1-CD2 3.77Å; L169-L350 HydrophobicContact CD1-CD1 4.48Å; L169-L350 HydrophobicContact CD1-CD2 4.17Å; L169-L350 HydrophobicContact CD2-CD1 3.89Å; L169-L350 HydrophobicContact CD2-CD2 4.06Å; L169-L353 HydrophobicContact CD1-CD1 4.25Å; L169-L391 HydrophobicContact CD2-CD1 3.61Å; L169-L391 HydrophobicContact CG-CD1 3.95Å; L169-F394 HydrophobicContact CD2-CB 4.31Å; L169-F394 HydrophobicContact CD2-CD1 3.98Å; L169-F394 HydrophobicContact CD2-CG 4.17Å
170I91.5Very high91.7Very high5 Ų541.1 Ų41.13%0.02621%0.214CC..Hα-helixtrans-58.4-45.9175-68.7169.6000110.5V166 Q172 H173 Q174 R297 E336 L337V166-I170 HydrophobicContact CG1-CD1 3.88Å; V166-I170 HydrophobicContact CG1-CG1 4.46Å; V166-I170 WeakPolarHBondContact O-CG1 3.14Å; V166-I170 PolarHBondContact O-N 3.47Å; I170-Q172 PolarHBondContact O-N 3.36Å; I170-H173 CarbonylContact O-C 3.55Å; I170-H173 PolarHBondContact O-N 2.91Å; I170-Q174 WeakPolarHBondContact O-CB 3.31Å; I170-Q174 PolarHBondContact O-N 3.03Å; I170-R297 HydrophobicContact CG2-CB 4.48Å; I170-R297 HydrophobicContact CG2-CG 3.97Å; I170-E336 HydrophobicContact CD1-CB 4.14Å; I170-L337 HydrophobicContact CD1-CB 4.27Å; I170-L337 HydrophobicContact CG1-CB 3.99Å; I170-L337 HydrophobicContact CG1-CD1 4.13Å
171L88.9Confident91.6Very high73 Ų7343 Ų4338%0.38223%0.227SC..Hα-helixtrans-63-25179.7-74.4170.4000113.9T167 E168 L169 R297T167-L171 HydrophobicContact CG2-CD1 4.18Å; T167-L171 WeakPolarHBondContact O-CB 3.31Å; T167-L171 VanDerWaalsContact O-CG 3.25Å; T167-L171 WeakPolarHBondContact O-CG 3.47Å; T167-L171 PolarHBondContact O-N 3.08Å; T167-L171 VanDerWaalsContact O-N 3.11Å; E168-L171 PolarHBondContact O-N 2.97Å; L169-L171 VanDerWaalsContact C-N 3.33Å; L169-L171 PolarHBondContact O-N 3.41Å; L171-R297 HydrophobicContact CD2-CB 3.96Å; L171-R297 HydrophobicContact CG-CB 4.38Å
172Q87Confident91.4Very high65 Ų6546.3 Ų46.330%0.30424%0.244SC..Hα-helixtrans-79-28.3173.3-59.9-81.3-7.500112.6E168 L169 I170 F394 S399E168-Q172 VanDerWaalsContact O-CG 3.29Å; E168-Q172 WeakPolarHBondContact O-CG 3.49Å; E168-Q172 PolarHBondContact O-N 3.16Å; E168-Q172 VanDerWaalsContact O-N 3.16Å; L169-Q172 PolarHBondContact O-N 3.29Å; I170-Q172 PolarHBondContact O-N 3.36Å; Q172-F394 HydrophobicContact CB-CE1 3.69Å; Q172-F394 HydrophobicContact CB-CZ 4.49Å; Q172-F394 HydrophobicContact CG-CE1 4.07Å; Q172-S399 PolarHBondContact OE1-OG 3.29Å
173H86.5Confident91.3Very high26 Ų2646.3 Ų46.312%0.1224%0.244CC..Hα-helixtrans-88.7-5.9177.3-65.684.3000113.4L169 I170 A340 R343 T344 F394L169-H173 PolarHBondContact O-N 3.12Å; L169-H173 PolarHBondContact O-ND1 3.31Å; I170-H173 CarbonylContact O-C 3.55Å; I170-H173 PolarHBondContact O-N 2.91Å; H173-A340 HydrophobicContact CB-CB 4.35Å; H173-R343 PolarHBondContact O-NH2 3.03Å; H173-R343 VanDerWaalsContact O-NH2 3.11Å; H173-T344 PolarHBondContact CD2-OG1 2.96Å; H173-F394 AromaticContact CE1-CE1 3.9Å; H173-F394 AromaticContact CE1-CE2 3.73Å; H173-F394 AromaticContact CE1-CZ 3.27Å; H173-F394 WeakPolarHBondContact CE1-CZ 3.5Å; H173-F394 AromaticContact NE2-CE2 3.84Å; H173-F394 AromaticContact NE2-CZ 3.56Å
174Q86.9Confident91.4Very high22 Ų2247 Ų4710%0.10325%0.245CC..SBendtrans-93125.1178.1-171.2177.7-90.700111I170 P176 L179 R297I170-Q174 WeakPolarHBondContact O-CB 3.31Å; I170-Q174 PolarHBondContact O-N 3.03Å; Q174-P176 VanDerWaalsContact O-CD 3.27Å; Q174-P176 WeakPolarHBondContact O-CD 3.23Å; Q174-L179 HydrophobicContact CG-CD1 4.04Å; Q174-R297 PolarHBondContact NE2-O 3.41Å; Q174-R297 PolarHBondContact OE1-O 3.01Å
175N84.6Confident91.4Very high60 Ų6046.1 Ų46.132%0.32125%0.251SS..  trans-79.7112.7176.1-177.9-0.8000110.8Q177 Q178 L179N175-Q177 VanDerWaalsContact C-N 3.27Å; N175-Q177 PolarHBondContact O-N 2.97Å; N175-Q177 WeakPolarHBondContact OD1-CB 3.45Å; N175-Q177 PolarHBondContact OD1-N 2.93Å; N175-Q178 HydrophobicContact CB-CB 4.35Å; N175-Q178 PolarHBondContact ND2-OE1 3.34Å; N175-Q178 PolarHBondContact O-N 2.82Å; N175-L179 PolarHBondContact O-N 3.36Å
176P84.3Confident91.4Very high97 Ų9746.9 Ų46.963%0.6326%0.258SS*.THydrogen-bonded Turntrans-65.1-28.5-178.627.5-35.5000113.1Q174 Q178Q174-P176 VanDerWaalsContact O-CD 3.27Å; Q174-P176 WeakPolarHBondContact O-CD 3.23Å; P176-Q178 VanDerWaalsContact C-N 3.29Å; P176-Q178 PolarHBondContact O-N 3.46Å
177Q85.5Confident91.5Very high171 Ų17147 Ų4780%0.79926%0.258SS*.THydrogen-bonded Turntrans-71.6-23.4-179.6-63-179.4-11.100113N175N175-Q177 VanDerWaalsContact C-N 3.27Å; N175-Q177 PolarHBondContact O-N 2.97Å; N175-Q177 WeakPolarHBondContact OD1-CB 3.45Å; N175-Q177 PolarHBondContact OD1-N 2.93Å
178Q88.1Confident91.8Very high104 Ų10452.5 Ų52.549%0.48628%0.276SS..THydrogen-bonded Turntrans-105.1-4.3-178.9-71.7172.1-3300112.8N175 P176 S180 S181 N182N175-Q178 HydrophobicContact CB-CB 4.35Å; N175-Q178 PolarHBondContact ND2-OE1 3.34Å; N175-Q178 PolarHBondContact O-N 2.82Å; P176-Q178 VanDerWaalsContact C-N 3.29Å; P176-Q178 PolarHBondContact O-N 3.46Å; Q178-S180 PolarHBondContact O-N 3.21Å; Q178-S181 WeakPolarHBondContact O-CB 3.5Å; Q178-S181 PolarHBondContact O-N 2.92Å; Q178-S181 VanDerWaalsContact O-N 3.08Å; Q178-N182 VanDerWaalsContact O-CG 3.24Å; Q178-N182 PolarHBondContact O-N 3.33Å; Q178-N182 PolarHBondContact O-OD1 3.49Å
179L90.9Very high92Very high10 Ų1055.9 Ų55.95%0.05231%0.306CS..Hα-helixtrans-56.1-47.2-170.7-175.653.3000113.7Q174 N175 N182 L183 L296 I298Q174-L179 HydrophobicContact CG-CD1 4.04Å; N175-L179 PolarHBondContact O-N 3.36Å; L179-N182 PolarHBondContact O-N 3.13Å; L179-L183 WeakPolarHBondContact O-CB 3.39Å; L179-L183 PolarHBondContact O-N 2.91Å; L179-L296 HydrophobicContact CD1-CB 4.31Å; L179-L296 HydrophobicContact CD1-CD2 4.1Å; L179-I298 HydrophobicContact CD1-CD1 4.12Å; L179-I298 HydrophobicContact CD1-CG1 3.79Å; L179-I298 HydrophobicContact CD2-CG1 4.09Å; L179-I298 HydrophobicContact CG-CD1 4.28Å; L179-I298 HydrophobicContact CG-CG1 4.01Å
180S93.8Very high92.2Very high54 Ų5458.7 Ų58.738%0.37832%0.317SS..Hα-helixtrans-67.8-37.8176.855.60000112.7Q178 L183 W184Q178-S180 PolarHBondContact O-N 3.21Å; S180-L183 PolarHBondContact O-N 2.98Å; S180-W184 VanDerWaalsContact O-CG 3.31Å; S180-W184 PolarHBondContact O-N 3.2Å
181S94.3Very high92.5Very high71 Ų7159.9 Ų59.950%0.49733%0.331SS..Hα-helixtrans-62.8-44.9175.4-1680000111.3Q178 W184 A185Q178-S181 WeakPolarHBondContact O-CB 3.5Å; Q178-S181 PolarHBondContact O-N 2.92Å; Q178-S181 VanDerWaalsContact O-N 3.08Å; S181-W184 PolarHBondContact O-N 3.14Å; S181-A185 WeakPolarHBondContact O-CB 3.34Å; S181-A185 PolarHBondContact O-N 2.91Å
182N94.2Very high93Very high71 Ų7156.4 Ų56.438%0.3831%0.313SS..Hα-helixtrans-65.5-43178.7-65.7-4.6000111.5Q178 L179 A185 A186 L296Q178-N182 VanDerWaalsContact O-CG 3.24Å; Q178-N182 PolarHBondContact O-N 3.33Å; Q178-N182 PolarHBondContact O-OD1 3.49Å; L179-N182 PolarHBondContact O-N 3.13Å; N182-A185 PolarHBondContact O-N 3.03Å; N182-A186 WeakPolarHBondContact O-CB 3.4Å; N182-A186 PolarHBondContact O-N 2.92Å; N182-L296 HydrophobicContact CB-CD1 4.19Å; N182-L296 HydrophobicContact CB-CD2 4.22Å
183L96.9Very high93.5Very high0 Ų055.9 Ų55.90%031%0.31CS..Hα-helixtrans-55.8-54.6172.9172.964.2000111L179 S180 A185 A186 V187 I287 A291 L296 I298 W303 L306L179-L183 WeakPolarHBondContact O-CB 3.39Å; L179-L183 PolarHBondContact O-N 2.91Å; S180-L183 PolarHBondContact O-N 2.98Å; L183-A185 VanDerWaalsContact C-N 3.26Å; L183-A185 PolarHBondContact O-N 3.49Å; L183-A186 PolarHBondContact O-N 3.17Å; L183-A186 VanDerWaalsContact O-N 3.13Å; L183-V187 HydrophobicContact CD1-CG2 4.32Å; L183-V187 WeakPolarHBondContact O-CG2 3.49Å; L183-V187 PolarHBondContact O-N 2.94Å; L183-I287 HydrophobicContact CD1-CG2 4.21Å; L183-A291 HydrophobicContact CD1-CB 3.79Å; L183-L296 HydrophobicContact CB-CD1 4.08Å; L183-I298 HydrophobicContact CB-CD1 4.33Å; L183-I298 HydrophobicContact CD1-CD1 4.33Å; L183-I298 HydrophobicContact CD2-CD1 4Å; L183-I298 HydrophobicContact CG-CD1 4.45Å; L183-W303 HydrophobicContact CD1-CH2 3.83Å; L183-W303 HydrophobicContact CD1-CZ3 4.31Å; L183-W303 HydrophobicContact CD2-CH2 4.04Å; L183-W303 HydrophobicContact CD2-CZ3 3.78Å; L183-L306 HydrophobicContact CD2-CD1 3.93Å
184W97.6Very high94Very high53 Ų5355.9 Ų55.920%0.20131%0.31CS..Hα-helixtrans-69.6-24-177.6-56.5135.8000112.8S180 S181 V187 R188 F194 I287 L306 L307S180-W184 VanDerWaalsContact O-CG 3.31Å; S180-W184 PolarHBondContact O-N 3.2Å; S181-W184 PolarHBondContact O-N 3.14Å; W184-V187 HydrophobicContact CE3-CB 4.5Å; W184-V187 HydrophobicContact CE3-CG2 4.22Å; W184-V187 HydrophobicContact CZ3-CG2 4.49Å; W184-R188 WeakPolarHBondContact O-CB 3.48Å; W184-R188 VanDerWaalsContact O-CG 3.29Å; W184-R188 WeakPolarHBondContact O-CG 3.2Å; W184-R188 PolarHBondContact O-N 3.3Å; W184-R188 VanDerWaalsContact O-N 3.09Å; W184-R188 PolarHBondContact O-NE 3.25Å; W184-R188 PolarHBondContact O-NH1 2.87Å; W184-F194 HydrophobicContact CE3-CB 4.1Å; W184-F194 HydrophobicContact CH2-CB 3.98Å; W184-F194 AromaticContact CH2-CD1 3.33Å; W184-F194 HydrophobicContact CH2-CD1 3.33Å; W184-F194 AromaticContact CH2-CE1 3.93Å; W184-F194 HydrophobicContact CH2-CE1 3.93Å; W184-F194 AromaticContact CH2-CG 3.76Å; W184-F194 HydrophobicContact CH2-CG 3.76Å; W184-F194 AromaticContact CZ2-CD1 3.74Å; W184-F194 HydrophobicContact CZ2-CD1 3.74Å; W184-F194 HydrophobicContact CZ2-CE1 4.17Å; W184-F194 HydrophobicContact CZ3-CB 3.53Å; W184-F194 AromaticContact CZ3-CD1 3.83Å; W184-F194 HydrophobicContact CZ3-CD1 3.83Å; W184-F194 AromaticContact CZ3-CG 3.85Å; W184-F194 HydrophobicContact CZ3-CG 3.85Å; W184-I287 HydrophobicContact CZ3-CG2 4.34Å; W184-L306 HydrophobicContact CZ2-CB 4.27Å; W184-L306 HydrophobicContact CZ2-CD2 4.01Å; W184-L307 HydrophobicContact CH2-CD2 3.99Å
185A96.9Very high94.6Very high43 Ų4356.4 Ų56.436%0.35531%0.313SS..Hα-helixtrans-68.2-46.516800000111.8S181 N182 L183 V187 R188 A189S181-A185 WeakPolarHBondContact O-CB 3.34Å; S181-A185 PolarHBondContact O-N 2.91Å; N182-A185 PolarHBondContact O-N 3.03Å; L183-A185 VanDerWaalsContact C-N 3.26Å; L183-A185 PolarHBondContact O-N 3.49Å; A185-V187 VanDerWaalsContact C-N 3.32Å; A185-V187 PolarHBondContact O-N 2.88Å; A185-R188 PolarHBondContact O-N 3.18Å; A185-A189 WeakPolarHBondContact O-CB 3.31Å; A185-A189 PolarHBondContact O-N 2.81Å
186A96.6Very high95.2Very high16 Ų1654.7 Ų54.713%0.13231%0.31CS..Hα-helixtrans-63.1-34.9177.800000113.1N182 L183 R190 I290N182-A186 WeakPolarHBondContact O-CB 3.4Å; N182-A186 PolarHBondContact O-N 2.92Å; L183-A186 PolarHBondContact O-N 3.17Å; L183-A186 VanDerWaalsContact O-N 3.13Å; A186-R190 PolarHBondContact O-NH1 3.4Å; A186-I290 HydrophobicContact CB-CG2 4.15Å
187V98.3Very high95.8Very high1 Ų152 Ų521%0.00629%0.292CS..Hα-helixtrans-67.5-49.3172.3172.50000111.1L183 W184 A185 A189 R190 C192 I287 I290L183-V187 HydrophobicContact CD1-CG2 4.32Å; L183-V187 WeakPolarHBondContact O-CG2 3.49Å; L183-V187 PolarHBondContact O-N 2.94Å; W184-V187 HydrophobicContact CE3-CB 4.5Å; W184-V187 HydrophobicContact CE3-CG2 4.22Å; W184-V187 HydrophobicContact CZ3-CG2 4.49Å; A185-V187 VanDerWaalsContact C-N 3.32Å; A185-V187 PolarHBondContact O-N 2.88Å; V187-A189 PolarHBondContact O-N 2.73Å; V187-R190 PolarHBondContact O-N 2.92Å; V187-R190 VanDerWaalsContact O-N 3.14Å; V187-C192 CarbonylContact C-O 3.56Å; V187-C192 HydrophobicContact CG1-CB 3.83Å; V187-C192 WeakPolarHBondContact O-CB 3.46Å; V187-C192 PolarHBondContact O-N 3.39Å; V187-I287 HydrophobicContact CG2-CG2 4.26Å; V187-I290 HydrophobicContact CG2-CG2 3.76Å
188R98.1Very high96.4Very high144 Ų14446.5 Ų46.554%0.54328%0.276SS..Hα-helixtrans-63.4-37.8178.1-74.2-175.2-56.1-93.8-1.9113.2W184 A185 R190 G191 C192W184-R188 WeakPolarHBondContact O-CB 3.48Å; W184-R188 VanDerWaalsContact O-CG 3.29Å; W184-R188 WeakPolarHBondContact O-CG 3.2Å; W184-R188 PolarHBondContact O-N 3.3Å; W184-R188 VanDerWaalsContact O-N 3.09Å; W184-R188 PolarHBondContact O-NE 3.25Å; W184-R188 PolarHBondContact O-NH1 2.87Å; A185-R188 PolarHBondContact O-N 3.18Å; R188-R190 PolarHBondContact O-N 3.22Å; R188-R190 VanDerWaalsContact O-N 3.15Å; R188-G191 PolarHBondContact O-N 3.04Å; R188-C192 WeakPolarHBondContact CA-O 3.43Å
189A97.7Very high96.8Very high86 Ų8641.9 Ų41.971%0.71126%0.255SS*.Hα-helixtrans-60.7-21.7176.500000113.2A185 V187A185-A189 WeakPolarHBondContact O-CB 3.31Å; A185-A189 PolarHBondContact O-N 2.81Å; V187-A189 PolarHBondContact O-N 2.73Å
190R97.7Very high97.2Very high60 Ų6041.4 Ų41.423%0.22625%0.252CS..THydrogen-bonded Turntrans-94.715.3176.1-69.2170.7175.869.71113.3A186 V187 R188 C192 E293A186-R190 PolarHBondContact O-NH1 3.4Å; V187-R190 PolarHBondContact O-N 2.92Å; V187-R190 VanDerWaalsContact O-N 3.14Å; R188-R190 PolarHBondContact O-N 3.22Å; R188-R190 VanDerWaalsContact O-N 3.15Å; R190-C192 PolarHBondContact O-N 3.21Å; R190-C192 PolarHBondContact O-SG 3Å; R190-E293 IonicContact CZ-OE2 3.26Å; R190-E293 IonicContact NE-OE2 3.1Å; R190-E293 PolarHBondContact NE-OE2 3.33Å; R190-E293 IonicContact NH2-OE2 2.75Å; R190-E293 PolarHBondContact NH2-OE2 2.99Å
191G97.7Very high97.4Very high31 Ų3142 Ų4232%0.3225%0.249SC..THydrogen-bonded Turntrans67.316.2-176.300000114.1R188 H244 Q247R188-G191 PolarHBondContact O-N 3.04Å; G191-H244 WeakPolarHBondContact O-CB 3.49Å; G191-H244 PolarHBondContact O-CD2 2.94Å; G191-Q247 VanDerWaalsContact O-CB 3.31Å; G191-Q247 WeakPolarHBondContact O-CB 3.42Å; G191-Q247 WeakPolarHBondContact O-CG 3.31Å
192C98.6Very high97.6Very high0 Ų040.6 Ų40.60%023%0.234CC..  trans-108.3161-174.2-63.80000111.2V187 R188 R190 L248 R251V187-C192 CarbonylContact C-O 3.56Å; V187-C192 HydrophobicContact CG1-CB 3.83Å; V187-C192 WeakPolarHBondContact O-CB 3.46Å; V187-C192 PolarHBondContact O-N 3.39Å; R188-C192 WeakPolarHBondContact CA-O 3.43Å; R190-C192 PolarHBondContact O-N 3.21Å; R190-C192 PolarHBondContact O-SG 3Å; C192-L248 HydrophobicContact CB-CB 4.03Å; C192-L248 HydrophobicContact CB-CD1 4.05Å; C192-R251 VanDerWaalsContact SG-CD 3.52Å
193Q97.9Very high97.8Very high54 Ų5437.2 Ų37.225%0.25222%0.217SC..  trans-150139.5179.7-167.5167.8-19.200112L195 Q200 H244Q193-L195 HydrophobicContact CG-CD2 3.94Å; Q193-Q200 PolarHBondContact O-NE2 2.96Å; Q193-H244 HydrophobicContact CB-CB 3.42Å; Q193-H244 VanDerWaalsContact CB-CB 3.42Å; Q193-H244 PolarHBondContact N-O 2.9Å; Q193-H244 PolarHBondContact OE1-ND1 3.36Å
194F98.5Very high97.9Very high26 Ų2637.2 Ų37.211%0.11422%0.217CC..  trans-107.1133.7164.6-179.7-105.9000108.2W184 G196 P197 Q200 I287 L306 L307W184-F194 HydrophobicContact CE3-CB 4.1Å; W184-F194 HydrophobicContact CH2-CB 3.98Å; W184-F194 AromaticContact CH2-CD1 3.33Å; W184-F194 HydrophobicContact CH2-CD1 3.33Å; W184-F194 AromaticContact CH2-CE1 3.93Å; W184-F194 HydrophobicContact CH2-CE1 3.93Å; W184-F194 AromaticContact CH2-CG 3.76Å; W184-F194 HydrophobicContact CH2-CG 3.76Å; W184-F194 AromaticContact CZ2-CD1 3.74Å; W184-F194 HydrophobicContact CZ2-CD1 3.74Å; W184-F194 HydrophobicContact CZ2-CE1 4.17Å; W184-F194 HydrophobicContact CZ3-CB 3.53Å; W184-F194 AromaticContact CZ3-CD1 3.83Å; W184-F194 HydrophobicContact CZ3-CD1 3.83Å; W184-F194 AromaticContact CZ3-CG 3.85Å; W184-F194 HydrophobicContact CZ3-CG 3.85Å; F194-G196 VanDerWaalsContact CE1-CA 3.45Å; F194-P197 HydrophobicContact CZ-CG 4.27Å; F194-Q200 HydrophobicContact CD2-CB 3.98Å; F194-Q200 HydrophobicContact CD2-CG 3.63Å; F194-Q200 HydrophobicContact CE2-CB 3.67Å; F194-Q200 HydrophobicContact CE2-CG 3.7Å; F194-Q200 HydrophobicContact CZ-CB 4.43Å; F194-I287 HydrophobicContact CD2-CD1 4.14Å; F194-L306 VanDerWaalsContact CE1-O 3.24Å; F194-L306 WeakPolarHBondContact CE1-O 3.29Å; F194-L307 HydrophobicContact CD2-CD2 4.15Å; F194-L307 HydrophobicContact CE2-CD2 3.93Å; F194-L307 HydrophobicContact CZ-CD2 4.14Å
195L97.8Very high98Very high32 Ų3238.8 Ų38.817%0.16823%0.225CC..  trans-99.21.3-170.6-58.8175.9000113.9Q193 M199 Q200 A203 I242 V245Q193-L195 HydrophobicContact CG-CD2 3.94Å; L195-M199 HydrophobicContact CB-CB 3.96Å; L195-M199 HydrophobicContact CB-CG 3.89Å; L195-M199 HydrophobicContact CB-SD 3.88Å; L195-M199 HydrophobicContact CD1-CE 4.11Å; L195-M199 HydrophobicContact CD1-CG 4.07Å; L195-M199 HydrophobicContact CD1-SD 4.18Å; L195-M199 HydrophobicContact CG-SD 4.48Å; L195-Q200 VanDerWaalsContact CB-OE1 3.31Å; L195-Q200 VanDerWaalsContact CG-OE1 3.24Å; L195-A203 HydrophobicContact CD1-CB 4.44Å; L195-I242 HydrophobicContact CD1-CD1 3.77Å; L195-V245 HydrophobicContact CD1-CG2 3.65Å; L195-V245 HydrophobicContact CG-CG2 3.89Å
196G97.1Very high98.1Very high25 Ų2537.7 Ų37.726%0.25821%0.213SC..  trans93.2151.1-166.700000111.2F194 A198 M199 Q200F194-G196 VanDerWaalsContact CE1-CA 3.45Å; G196-A198 PolarHBondContact O-N 3.35Å; G196-M199 PolarHBondContact O-N 2.98Å; G196-Q200 WeakPolarHBondContact O-CB 3.27Å; G196-Q200 PolarHBondContact O-N 2.55Å
197P97.8Very high98.2Very high39 Ų3937 Ų3725%0.25321%0.207SC..Hα-helixtrans-48.7-61.3-164.4-31.435.8000115.3F194 M199 Q200 E201 Y308F194-P197 HydrophobicContact CZ-CG 4.27Å; P197-M199 PolarHBondContact O-N 3.03Å; P197-Q200 PolarHBondContact O-N 3.34Å; P197-E201 WeakPolarHBondContact O-CB 3.4Å; P197-E201 PolarHBondContact O-N 2.94Å; P197-Y308 VanDerWaalsContact CG-C 3.44Å
198A97.6Very high98.2Very high56 Ų5637.2 Ų37.246%0.46321%0.208SC..Hα-helixtrans-64.1-38.1-175.700000113.4G196 E202G196-A198 PolarHBondContact O-N 3.35Å; A198-E202 VanDerWaalsContact O-CG 3.24Å; A198-E202 WeakPolarHBondContact O-CG 3.28Å; A198-E202 PolarHBondContact O-N 3.24Å; A198-E202 VanDerWaalsContact O-N 3.16Å
199M97.9Very high98.2Very high8 Ų835 Ų354%0.03921%0.207CC..Hα-helixtrans-74.2-33.4179.8-169.2179.8-177.700111.8L195 G196 P197 A203 L230 F234 Q236 A237L195-M199 HydrophobicContact CB-CB 3.96Å; L195-M199 HydrophobicContact CB-CG 3.89Å; L195-M199 HydrophobicContact CB-SD 3.88Å; L195-M199 HydrophobicContact CD1-CE 4.11Å; L195-M199 HydrophobicContact CD1-CG 4.07Å; L195-M199 HydrophobicContact CD1-SD 4.18Å; L195-M199 HydrophobicContact CG-SD 4.48Å; G196-M199 PolarHBondContact O-N 2.98Å; P197-M199 PolarHBondContact O-N 3.03Å; M199-A203 VanDerWaalsContact O-CB 3.26Å; M199-A203 WeakPolarHBondContact O-CB 3.33Å; M199-A203 PolarHBondContact O-N 3.38Å; M199-L230 HydrophobicContact CE-CD2 3.65Å; M199-L230 HydrophobicContact CE-CG 4.36Å; M199-L230 HydrophobicContact CG-CD2 4.09Å; M199-F234 HydrophobicContact CB-CD1 3.97Å; M199-F234 HydrophobicContact CB-CE1 3.95Å; M199-F234 HydrophobicContact CB-CG 4.35Å; M199-F234 HydrophobicContact CB-CZ 4.31Å; M199-F234 HydrophobicContact CE-CB 3.7Å; M199-F234 HydrophobicContact CE-CG 4.41Å; M199-F234 HydrophobicContact CG-CB 4.15Å; M199-F234 HydrophobicContact CG-CD1 3.94Å; M199-F234 HydrophobicContact CG-CD2 4.21Å; M199-F234 HydrophobicContact CG-CE1 4.35Å; M199-F234 HydrophobicContact CG-CG 3.85Å; M199-F234 HydrophobicContact SD-CB 3.98Å; M199-F234 HydrophobicContact SD-CD1 4.31Å; M199-F234 HydrophobicContact SD-CG 4.24Å; M199-Q236 HydrophobicContact CE-CG 4.02Å; M199-Q236 HydrophobicContact SD-CG 3.77Å; M199-Q236 PolarHBondContact SD-NE2 3.01Å; M199-Q236 VanDerWaalsContact SD-NE2 3.37Å; M199-A237 HydrophobicContact CE-CB 3.67Å
200Q98.5Very high98.2Very high0 Ų031.3 Ų31.30%018%0.176CC..Hα-helixtrans-69.5-43.9174.3-159.678.8-2.600111.1Q193 F194 L195 G196 P197 E202 A203 L204 H283Q193-Q200 PolarHBondContact O-NE2 2.96Å; F194-Q200 HydrophobicContact CD2-CB 3.98Å; F194-Q200 HydrophobicContact CD2-CG 3.63Å; F194-Q200 HydrophobicContact CE2-CB 3.67Å; F194-Q200 HydrophobicContact CE2-CG 3.7Å; F194-Q200 HydrophobicContact CZ-CB 4.43Å; L195-Q200 VanDerWaalsContact CB-OE1 3.31Å; L195-Q200 VanDerWaalsContact CG-OE1 3.24Å; G196-Q200 WeakPolarHBondContact O-CB 3.27Å; G196-Q200 PolarHBondContact O-N 2.55Å; P197-Q200 PolarHBondContact O-N 3.34Å; Q200-E202 PolarHBondContact O-N 3.26Å; Q200-A203 PolarHBondContact O-N 3.06Å; Q200-L204 HydrophobicContact CG-CD1 4.49Å; Q200-L204 VanDerWaalsContact O-CG 3.32Å; Q200-L204 WeakPolarHBondContact O-CG 3.5Å; Q200-L204 PolarHBondContact O-N 3.43Å; Q200-H283 PolarHBondContact NE2-NE2 3.18Å
201E98.4Very high98.2Very high65 Ų6528.5 Ų28.530%0.30417%0.165SC..Hα-helixtrans-56.9-50.2177169.7175.7169.200112.1P197 L204 K205 Y276P197-E201 WeakPolarHBondContact O-CB 3.4Å; P197-E201 PolarHBondContact O-N 2.94Å; E201-L204 PolarHBondContact O-N 3.39Å; E201-K205 HydrophobicContact CG-CD 4.08Å; E201-K205 WeakPolarHBondContact O-CG 3.41Å; E201-K205 PolarHBondContact O-N 2.87Å; E201-K205 IonicContact OE1-NZ 3.33Å; E201-K205 PolarHBondContact OE1-NZ 3.2Å; E201-Y276 HydrophobicContact CG-CE2 4.15Å; E201-Y276 WeakPolarHBondContact CG-OH 3.39Å
202E98.4Very high98.1Very high42 Ų4231.7 Ų31.720%0.19617%0.172CC..Hα-helixtrans-65.9-38.3178.3-66.8-78.7-172.100111.6A198 Q200 L204 K205 L206 L230 R233 F234A198-E202 VanDerWaalsContact O-CG 3.24Å; A198-E202 WeakPolarHBondContact O-CG 3.28Å; A198-E202 PolarHBondContact O-N 3.24Å; A198-E202 VanDerWaalsContact O-N 3.16Å; Q200-E202 PolarHBondContact O-N 3.26Å; E202-L204 PolarHBondContact O-N 2.78Å; E202-K205 PolarHBondContact O-N 3.33Å; E202-L206 WeakPolarHBondContact O-CB 3.36Å; E202-L206 VanDerWaalsContact O-CG 3.29Å; E202-L206 WeakPolarHBondContact O-CG 3.31Å; E202-L206 PolarHBondContact O-N 2.79Å; E202-L230 HydrophobicContact CB-CD1 3.62Å; E202-R233 IonicContact OE1-CZ 3.46Å; E202-R233 IonicContact OE1-NH1 3.73Å; E202-R233 PolarHBondContact OE1-NH1 3.39Å; E202-R233 IonicContact OE1-NH2 2.68Å; E202-R233 PolarHBondContact OE1-NH2 2.98Å; E202-R233 IonicContact OE2-CZ 3.8Å; E202-R233 IonicContact OE2-NH1 3.36Å; E202-R233 PolarHBondContact OE2-NH1 2.91Å; E202-F234 HydrophobicContact CB-CE2 4.07Å; E202-F234 HydrophobicContact CG-CE2 4.01Å; E202-F234 HydrophobicContact CG-CZ 4.29Å
203A98.6Very high98Very high1 Ų137 Ų371%0.00820%0.2CC..Hα-helixtrans-63.1-39.8173.800000112.6L195 M199 Q200 L206 V207 L230 I242L195-A203 HydrophobicContact CD1-CB 4.44Å; M199-A203 VanDerWaalsContact O-CB 3.26Å; M199-A203 WeakPolarHBondContact O-CB 3.33Å; M199-A203 PolarHBondContact O-N 3.38Å; Q200-A203 PolarHBondContact O-N 3.06Å; A203-L206 PolarHBondContact O-N 3.49Å; A203-V207 WeakPolarHBondContact O-CG2 3.42Å; A203-V207 PolarHBondContact O-N 2.54Å; A203-V207 VanDerWaalsContact O-N 3.12Å; A203-L230 HydrophobicContact CB-CD2 4.09Å; A203-I242 HydrophobicContact CB-CD1 4.17Å
204L98.8Very high97.9Very high0 Ų035 Ų350%020%0.195CC..Hα-helixtrans-68.8-42.4175.9-69.1176.9000111.8Q200 E201 E202 L206 V207 L208 V245 L249 Y276 L279 H283Q200-L204 HydrophobicContact CG-CD1 4.49Å; Q200-L204 VanDerWaalsContact O-CG 3.32Å; Q200-L204 WeakPolarHBondContact O-CG 3.5Å; Q200-L204 PolarHBondContact O-N 3.43Å; E201-L204 PolarHBondContact O-N 3.39Å; E202-L204 PolarHBondContact O-N 2.78Å; L204-L206 VanDerWaalsContact C-N 3.28Å; L204-L206 PolarHBondContact O-N 2.72Å; L204-V207 PolarHBondContact O-N 3.1Å; L204-V207 VanDerWaalsContact O-N 3.08Å; L204-L208 PolarHBondContact O-N 3.27Å; L204-V245 HydrophobicContact CD2-CG1 4.4Å; L204-L249 HydrophobicContact CD2-CD1 3.8Å; L204-L249 HydrophobicContact CD2-CD2 3.87Å; L204-L249 HydrophobicContact CD2-CG 4.16Å; L204-Y276 HydrophobicContact CB-CE2 4.16Å; L204-L279 HydrophobicContact CD2-CD2 4.4Å; L204-H283 HydrophobicContact CD1-CB 4.27Å
205K98.6Very high97.9Very high85 Ų8535.8 Ų35.837%0.3720%0.203SC..Hα-helixtrans-59-38.4173.8-74.4171.7173175.80112.1E201 E202 L208 L209 Y276E201-K205 HydrophobicContact CG-CD 4.08Å; E201-K205 WeakPolarHBondContact O-CG 3.41Å; E201-K205 PolarHBondContact O-N 2.87Å; E201-K205 IonicContact OE1-NZ 3.33Å; E201-K205 PolarHBondContact OE1-NZ 3.2Å; E202-K205 PolarHBondContact O-N 3.33Å; K205-L208 PolarHBondContact O-N 3.18Å; K205-L209 WeakPolarHBondContact O-CB 3.5Å; K205-L209 PolarHBondContact O-N 3.13Å; K205-Y276 HydrophobicContact CD-CD2 4.47Å; K205-Y276 HydrophobicContact CD-CE2 4.45Å; K205-Y276 HydrophobicContact CG-CD2 3.62Å; K205-Y276 HydrophobicContact CG-CE2 3.83Å
206L98.7Very high97.9Very high20 Ų2036.4 Ų36.411%0.10521%0.213CC..Hα-helixtrans-72.9-23.7174.7-70.7172000114.1E202 A203 L204 L209 F225 V226 R229 L230E202-L206 WeakPolarHBondContact O-CB 3.36Å; E202-L206 VanDerWaalsContact O-CG 3.29Å; E202-L206 WeakPolarHBondContact O-CG 3.31Å; E202-L206 PolarHBondContact O-N 2.79Å; A203-L206 PolarHBondContact O-N 3.49Å; L204-L206 VanDerWaalsContact C-N 3.28Å; L204-L206 PolarHBondContact O-N 2.72Å; L206-L209 HydrophobicContact CD2-CD2 4.23Å; L206-F225 WeakPolarHBondContact O-CE1 3.24Å; L206-V226 HydrophobicContact CB-CB 4.39Å; L206-V226 HydrophobicContact CB-CG1 4.06Å; L206-V226 HydrophobicContact CB-CG2 4.01Å; L206-V226 HydrophobicContact CD1-CG1 4.25Å; L206-R229 HydrophobicContact CD1-CB 3.77Å; L206-R229 HydrophobicContact CD2-CB 3.65Å; L206-R229 HydrophobicContact CD2-CG 4.29Å; L206-R229 HydrophobicContact CG-CB 4.37Å; L206-L230 HydrophobicContact CD1-CB 3.89Å; L206-L230 HydrophobicContact CD1-CD1 4.03Å
207V98.6Very high97.9Very high1 Ų137 Ų371%0.00621%0.21CC..Hα-helixtrans-75.2-38.4170.5169.70000111.1A203 L204 A210 L211 L222 V226 L249 L279A203-V207 WeakPolarHBondContact O-CG2 3.42Å; A203-V207 PolarHBondContact O-N 2.54Å; A203-V207 VanDerWaalsContact O-N 3.12Å; L204-V207 PolarHBondContact O-N 3.1Å; L204-V207 VanDerWaalsContact O-N 3.08Å; V207-A210 PolarHBondContact O-N 2.81Å; V207-L211 HydrophobicContact CG1-CD1 3.96Å; V207-L211 PolarHBondContact O-N 2.62Å; V207-L222 HydrophobicContact CG2-CD1 4.48Å; V207-V226 HydrophobicContact CG2-CG2 3.88Å; V207-L249 HydrophobicContact CG1-CD1 3.93Å; V207-L279 HydrophobicContact CG1-CD2 4.45Å
208L98.3Very high97.9Very high7 Ų736 Ų364%0.03720%0.204CC..Hα-helixtrans-61.9-52.9172.8-79.4147.2000111.4L204 K205 A210 L211 E212 L269 Y276 L279L204-L208 PolarHBondContact O-N 3.27Å; K205-L208 PolarHBondContact O-N 3.18Å; L208-A210 PolarHBondContact O-N 3.49Å; L208-L211 PolarHBondContact O-N 2.68Å; L208-E212 VanDerWaalsContact O-CB 3.25Å; L208-E212 WeakPolarHBondContact O-CB 3.34Å; L208-E212 VanDerWaalsContact O-CG 3.27Å; L208-E212 WeakPolarHBondContact O-CG 3.24Å; L208-E212 PolarHBondContact O-N 3.11Å; L208-L269 HydrophobicContact CD2-CD2 3.87Å; L208-Y276 HydrophobicContact CD1-CD2 4.03Å; L208-L279 HydrophobicContact CD1-CB 4.37Å; L208-L279 HydrophobicContact CD1-CD2 3.85Å; L208-L279 HydrophobicContact CD2-CD2 4.23Å; L208-L279 HydrophobicContact CG-CD2 3.71Å
209L98.3Very high98Very high98 Ų9837.8 Ų37.851%0.51320%0.199SC..THydrogen-bonded Turntrans-54.9-18.5177.5-175.763.5000114.3K205 L206 F225K205-L209 WeakPolarHBondContact O-CB 3.5Å; K205-L209 PolarHBondContact O-N 3.13Å; L206-L209 HydrophobicContact CD2-CD2 4.23Å; L209-F225 HydrophobicContact CD2-CZ 4.35Å; L209-F225 HydrophobicContact CG-CZ 4.26Å
210A98.2Very high98Very high8 Ų844.8 Ų44.87%0.06623%0.229CC..THydrogen-bonded Turntrans-97.9-9.8178.700000114.6V207 L208 L217 L222 F225V207-A210 PolarHBondContact O-N 2.81Å; L208-A210 PolarHBondContact O-N 3.49Å; A210-L217 HydrophobicContact CB-CD1 4.01Å; A210-L217 WeakPolarHBondContact O-CD1 3.29Å; A210-L222 HydrophobicContact CB-CD1 3.73Å; A210-F225 HydrophobicContact CB-CD1 3.79Å; A210-F225 HydrophobicContact CB-CE1 3.74Å; A210-F225 HydrophobicContact CB-CG 4.26Å; A210-F225 HydrophobicContact CB-CZ 4.14Å
211L98.2Very high98Very high0 Ų048.3 Ų48.30%025%0.25CS..THydrogen-bonded Turntrans-146.6-4.6-167.8-57.4172.9000115.2V207 L208 D213 G214 S215 L217 L222 F255 L269V207-L211 HydrophobicContact CG1-CD1 3.96Å; V207-L211 PolarHBondContact O-N 2.62Å; L208-L211 PolarHBondContact O-N 2.68Å; L211-D213 VanDerWaalsContact C-N 3.34Å; L211-G214 WeakPolarHBondContact O-CA 3.46Å; L211-G214 PolarHBondContact O-N 2.89Å; L211-S215 WeakPolarHBondContact CD2-O 3.42Å; L211-L217 HydrophobicContact CD2-CB 4.11Å; L211-L217 HydrophobicContact CD2-CD1 3.96Å; L211-L217 HydrophobicContact CD2-CG 3.86Å; L211-L222 HydrophobicContact CD1-CD1 4.05Å; L211-L222 HydrophobicContact CD1-CD2 4.04Å; L211-L222 HydrophobicContact CG-CD1 4.18Å; L211-F255 HydrophobicContact CD1-CD1 4.31Å; L211-F255 HydrophobicContact CD1-CE1 3.68Å; L211-L269 HydrophobicContact CB-CB 3.73Å; L211-L269 HydrophobicContact CB-CD2 4.41Å; L211-L269 HydrophobicContact CD1-CB 4.21Å
212E96.2Very high98Very high98 Ų9845.2 Ų45.246%0.45824%0.236SC..THydrogen-bonded Turntrans-69.8-29-17764.2-169-167.200113.3L208 G214 R274L208-E212 VanDerWaalsContact O-CB 3.25Å; L208-E212 WeakPolarHBondContact O-CB 3.34Å; L208-E212 VanDerWaalsContact O-CG 3.27Å; L208-E212 WeakPolarHBondContact O-CG 3.24Å; L208-E212 PolarHBondContact O-N 3.11Å; E212-G214 PolarHBondContact O-N 3.03Å; E212-R274 WeakPolarHBondContact O-CD 3.46Å; E212-R274 PolarHBondContact O-NH1 2.9Å
213D96.6Very high98Very high111 Ų11143.8 Ų43.859%0.59423%0.23SC*.THydrogen-bonded Turntrans-63.8-19.5165.666.1-25.6000112.8L211 S215 R274L211-D213 VanDerWaalsContact C-N 3.34Å; D213-S215 VanDerWaalsContact OD1-CB 3.23Å; D213-S215 WeakPolarHBondContact OD1-CB 3.42Å; D213-S215 PolarHBondContact OD1-N 3.48Å; D213-S215 PolarHBondContact OD1-OG 3.16Å; D213-S215 WeakPolarHBondContact OD2-CB 3.41Å; D213-S215 PolarHBondContact OD2-OG 3.15Å; D213-R274 PolarHBondContact O-NH1 3.15Å
214G95.5Very high97.9Very high13 Ų1346.3 Ų46.313%0.13424%0.243CC..  trans91.517.9-170.500000114.2L211 E212 Q268 R274L211-G214 WeakPolarHBondContact O-CA 3.46Å; L211-G214 PolarHBondContact O-N 2.89Å; E212-G214 PolarHBondContact O-N 3.03Å; G214-Q268 WeakPolarHBondContact O-CG 3.5Å; G214-Q268 PolarHBondContact O-NE2 3.03Å; G214-R274 VanDerWaalsContact CA-NH1 3.3Å; G214-R274 VanDerWaalsContact CA-NH2 3.28Å
215S97.8Very high97.9Very high43 Ų4348.5 Ų48.530%0.30125%0.253SS..  trans-52.7144.1168.6-88.80000111.6L211 D213L211-S215 WeakPolarHBondContact CD2-O 3.42Å; D213-S215 VanDerWaalsContact OD1-CB 3.23Å; D213-S215 WeakPolarHBondContact OD1-CB 3.42Å; D213-S215 PolarHBondContact OD1-N 3.48Å; D213-S215 PolarHBondContact OD1-OG 3.16Å; D213-S215 WeakPolarHBondContact OD2-CB 3.41Å; D213-S215 PolarHBondContact OD2-OG 3.15Å
216A97.4Very high97.9Very high45 Ų4544.5 Ų44.537%0.37224%0.235SC..EExtended strand (participates in β ladder)trans-113.996.4-179.100000109.6L266 Q268A216-L266 HydrophobicContact CB-CB 4.15Å; A216-L266 HydrophobicContact CB-CD1 4.32Å; A216-Q268 HydrophobicContact CB-CB 4.22Å
217L98.1Very high97.9Very high38 Ų3843.9 Ų43.920%0.19923%0.232CC..EExtended strand (participates in β ladder)trans-105.6143.3-172.6-58.9-178.6000111.5A210 L211 V221 L222 M267A210-L217 HydrophobicContact CB-CD1 4.01Å; A210-L217 WeakPolarHBondContact O-CD1 3.29Å; L211-L217 HydrophobicContact CD2-CB 4.11Å; L211-L217 HydrophobicContact CD2-CD1 3.96Å; L211-L217 HydrophobicContact CD2-CG 3.86Å; L217-V221 HydrophobicContact CD2-CG1 4.2Å; L217-L222 HydrophobicContact CB-CB 4.36Å; L217-L222 HydrophobicContact CD1-CD1 4.3Å; L217-M267 PolarHBondContact N-O 3.34Å; L217-M267 WeakPolarHBondContact O-CB 3.41Å; L217-M267 PolarHBondContact O-N 2.87Å
218S98.1Very high97.8Very high17 Ų1750 Ų5012%0.11926%0.261CS..EExtended strand (participates in β ladder)trans-70.3150.716976.90000110.5K220 V221 L222S218-K220 PolarHBondContact O-N 3.25Å; S218-V221 PolarHBondContact O-N 2.91Å; S218-V221 WeakPolarHBondContact OG-CG2 3.43Å; S218-L222 PolarHBondContact O-N 3.2Å
219R98.3Very high97.8Very high94 Ų9455.2 Ų55.236%0.35528%0.28SS..Hα-helixtrans-51.1-36.6-179.9-170.6176.8-177163.82.4113.1V223 G243 V246 Q247 M267R219-V223 HydrophobicContact CG-CG2 4.43Å; R219-V223 WeakPolarHBondContact O-CB 3.44Å; R219-V223 WeakPolarHBondContact O-CG2 3.16Å; R219-V223 PolarHBondContact O-N 3.4Å; R219-V223 VanDerWaalsContact O-N 3.09Å; R219-G243 PolarHBondContact NH2-O 3.27Å; R219-V246 HydrophobicContact CG-CG1 4.24Å; R219-Q247 VanDerWaalsContact CZ-OE1 3.26Å; R219-M267 HydrophobicContact CB-SD 3.84Å; R219-M267 HydrophobicContact CG-SD 4.28Å
220K97.8Very high97.7Very high155 Ų15550.7 Ų50.767%0.67426%0.256SS*.Hα-helixtrans-64.2-44177.1-177.4-179176.4-174.80111.9S218 L224S218-K220 PolarHBondContact O-N 3.25Å; K220-L224 HydrophobicContact CG-CD1 4.33Å; K220-L224 WeakPolarHBondContact O-CD1 3.48Å; K220-L224 VanDerWaalsContact O-CG 3.24Å; K220-L224 WeakPolarHBondContact O-CG 3.46Å; K220-L224 PolarHBondContact O-N 3.32Å
221V98.4Very high97.6Very high74 Ų7455 Ų5545%0.44828%0.275SS..Hα-helixtrans-70.1-48.1-179.8174.80000110.7L217 S218 V223 L224 F225L217-V221 HydrophobicContact CD2-CG1 4.2Å; S218-V221 PolarHBondContact O-N 2.91Å; S218-V221 WeakPolarHBondContact OG-CG2 3.43Å; V221-V223 PolarHBondContact O-N 3.39Å; V221-L224 PolarHBondContact O-N 3.42Å; V221-L224 VanDerWaalsContact O-N 3.16Å; V221-F225 PolarHBondContact O-N 2.93Å
222L98.5Very high97.5Very high0 Ų059.9 Ų59.90%031%0.307CS..Hα-helixtrans-57.9-46.8178.5-179.364.4000112.1V207 A210 L211 L217 S218 L224 F225 V226 V246 F255V207-L222 HydrophobicContact CG2-CD1 4.48Å; A210-L222 HydrophobicContact CB-CD1 3.73Å; L211-L222 HydrophobicContact CD1-CD1 4.05Å; L211-L222 HydrophobicContact CD1-CD2 4.04Å; L211-L222 HydrophobicContact CG-CD1 4.18Å; L217-L222 HydrophobicContact CB-CB 4.36Å; L217-L222 HydrophobicContact CD1-CD1 4.3Å; S218-L222 PolarHBondContact O-N 3.2Å; L222-L224 VanDerWaalsContact C-N 3.32Å; L222-L224 PolarHBondContact O-N 3.15Å; L222-F225 PolarHBondContact O-N 3.45Å; L222-V226 HydrophobicContact CD1-CG2 4.47Å; L222-V226 WeakPolarHBondContact O-CG2 3.24Å; L222-V226 PolarHBondContact O-N 3.43Å; L222-V226 VanDerWaalsContact O-N 3.13Å; L222-V246 HydrophobicContact CD2-CG1 4.12Å; L222-V246 HydrophobicContact CD2-CG2 4.05Å; L222-V246 HydrophobicContact CG-CG2 4.44Å; L222-F255 HydrophobicContact CD2-CZ 4.47Å
223V98.6Very high97.5Very high12 Ų1262.7 Ų62.77%0.07331%0.313CS..Hα-helixtrans-63.2-37.5178168.20000111.8R219 V221 V227 K239 I242 V246R219-V223 HydrophobicContact CG-CG2 4.43Å; R219-V223 WeakPolarHBondContact O-CB 3.44Å; R219-V223 WeakPolarHBondContact O-CG2 3.16Å; R219-V223 PolarHBondContact O-N 3.4Å; R219-V223 VanDerWaalsContact O-N 3.09Å; V221-V223 PolarHBondContact O-N 3.39Å; V223-V227 HydrophobicContact CG1-CG2 4.36Å; V223-V227 WeakPolarHBondContact O-CB 3.12Å; V223-V227 WeakPolarHBondContact O-CG2 3.49Å; V223-V227 PolarHBondContact O-N 2.64Å; V223-K239 HydrophobicContact CG1-CB 4.09Å; V223-K239 WeakPolarHBondContact CG1-O 3.35Å; V223-I242 HydrophobicContact CG1-CB 4.38Å; V223-I242 HydrophobicContact CG1-CG2 4.3Å; V223-I242 HydrophobicContact CG2-CG2 4.4Å; V223-V246 HydrophobicContact CG2-CG2 4.07Å
224L97.9Very high97.4Very high54 Ų5459 Ų5928%0.28329%0.292SS..Hα-helixtrans-68.1-44.8176.3-72.1170.2000112K220 V221 L222 V226 V227 Q228 K239K220-L224 HydrophobicContact CG-CD1 4.33Å; K220-L224 WeakPolarHBondContact O-CD1 3.48Å; K220-L224 VanDerWaalsContact O-CG 3.24Å; K220-L224 WeakPolarHBondContact O-CG 3.46Å; K220-L224 PolarHBondContact O-N 3.32Å; V221-L224 PolarHBondContact O-N 3.42Å; V221-L224 VanDerWaalsContact O-N 3.16Å; L222-L224 VanDerWaalsContact C-N 3.32Å; L222-L224 PolarHBondContact O-N 3.15Å; L224-V226 VanDerWaalsContact C-N 3.32Å; L224-V226 PolarHBondContact O-N 3.16Å; L224-V227 PolarHBondContact O-N 3.45Å; L224-Q228 WeakPolarHBondContact O-CB 3.33Å; L224-Q228 VanDerWaalsContact O-CG 3.28Å; L224-Q228 WeakPolarHBondContact O-CG 3.34Å; L224-Q228 PolarHBondContact O-N 2.87Å; L224-K239 HydrophobicContact CD2-CD 3.9Å; L224-K239 VanDerWaalsContact CD2-CE 3.49Å; L224-K239 HydrophobicContact CD2-CG 4.39Å
225F98.6Very high97.3Very high46 Ų4663.4 Ų63.420%0.20232%0.318CS..Hα-helixtrans-55.4-46177.7177.2-80.6000112.2L206 L209 A210 V221 L222 R229L206-F225 WeakPolarHBondContact O-CE1 3.24Å; L209-F225 HydrophobicContact CD2-CZ 4.35Å; L209-F225 HydrophobicContact CG-CZ 4.26Å; A210-F225 HydrophobicContact CB-CD1 3.79Å; A210-F225 HydrophobicContact CB-CE1 3.74Å; A210-F225 HydrophobicContact CB-CG 4.26Å; A210-F225 HydrophobicContact CB-CZ 4.14Å; V221-F225 PolarHBondContact O-N 2.93Å; L222-F225 PolarHBondContact O-N 3.45Å; F225-R229 VanDerWaalsContact CD2-NH1 3.29Å; F225-R229 PolarHBondContact O-NH1 3.4Å
226V98.4Very high96.9Very high0 Ų067 Ų670%033%0.33CS..Hα-helixtrans-71.1-46.9-179.21750000111L206 V207 L222 L224 Q228 R229 L230 I242L206-V226 HydrophobicContact CB-CB 4.39Å; L206-V226 HydrophobicContact CB-CG1 4.06Å; L206-V226 HydrophobicContact CB-CG2 4.01Å; L206-V226 HydrophobicContact CD1-CG1 4.25Å; V207-V226 HydrophobicContact CG2-CG2 3.88Å; L222-V226 HydrophobicContact CD1-CG2 4.47Å; L222-V226 WeakPolarHBondContact O-CG2 3.24Å; L222-V226 PolarHBondContact O-N 3.43Å; L222-V226 VanDerWaalsContact O-N 3.13Å; L224-V226 VanDerWaalsContact C-N 3.32Å; L224-V226 PolarHBondContact O-N 3.16Å; V226-Q228 PolarHBondContact O-N 3.37Å; V226-R229 PolarHBondContact O-N 2.81Å; V226-L230 VanDerWaalsContact O-CB 3.26Å; V226-L230 WeakPolarHBondContact O-CB 3.41Å; V226-L230 PolarHBondContact O-N 3.3Å; V226-I242 HydrophobicContact CB-CG2 3.87Å; V226-I242 HydrophobicContact CG1-CD1 4.11Å; V226-I242 HydrophobicContact CG1-CG1 4.38Å; V226-I242 HydrophobicContact CG1-CG2 3.66Å
227V98.1Very high96.8Very high7 Ų765.3 Ų65.34%0.04232%0.316CS..Hα-helixtrans-58.5-48.5179.1169.80000111.1V223 L224 R229 L230 E231 K239 I242V223-V227 HydrophobicContact CG1-CG2 4.36Å; V223-V227 WeakPolarHBondContact O-CB 3.12Å; V223-V227 WeakPolarHBondContact O-CG2 3.49Å; V223-V227 PolarHBondContact O-N 2.64Å; L224-V227 PolarHBondContact O-N 3.45Å; V227-R229 PolarHBondContact O-N 3.46Å; V227-R229 VanDerWaalsContact O-N 3.12Å; V227-L230 PolarHBondContact O-N 2.96Å; V227-L230 VanDerWaalsContact O-N 3.16Å; V227-E231 WeakPolarHBondContact CG1-OE2 3.42Å; V227-E231 WeakPolarHBondContact O-CB 3.32Å; V227-E231 PolarHBondContact O-N 3.41Å; V227-K239 HydrophobicContact CG2-CG 4.35Å; V227-I242 HydrophobicContact CG2-CB 3.88Å; V227-I242 HydrophobicContact CG2-CG1 3.64Å; V227-I242 HydrophobicContact CG2-CG2 4.33Å
228Q97.6Very high96.7Very high129 Ų12965.7 Ų65.760%0.60332%0.322SS*.Hα-helixtrans-58.3-28.1-178.9-74.6173.1-27.300113.9L224 V226L224-Q228 WeakPolarHBondContact O-CB 3.33Å; L224-Q228 VanDerWaalsContact O-CG 3.28Å; L224-Q228 WeakPolarHBondContact O-CG 3.34Å; L224-Q228 PolarHBondContact O-N 2.87Å; V226-Q228 PolarHBondContact O-N 3.37Å
229R97.9Very high96.7Very high118 Ų11871.2 Ų71.245%0.44534%0.344SS..Hα-helixtrans-94.9-25.4179.5-71.9172.8174.370.20.4113.4L206 F225 V226 V227L206-R229 HydrophobicContact CD1-CB 3.77Å; L206-R229 HydrophobicContact CD2-CB 3.65Å; L206-R229 HydrophobicContact CD2-CG 4.29Å; L206-R229 HydrophobicContact CG-CB 4.37Å; F225-R229 VanDerWaalsContact CD2-NH1 3.29Å; F225-R229 PolarHBondContact O-NH1 3.4Å; V226-R229 PolarHBondContact O-N 2.81Å; V227-R229 PolarHBondContact O-N 3.46Å; V227-R229 VanDerWaalsContact O-N 3.12Å
230L96.6Very high96.7Very high2 Ų271.1 Ų71.11%0.0135%0.353CS..Hα-helixtrans-90.1-36.9-178.1-164.773.2000112.8M199 E202 A203 L206 V226 V227 P232 R233 F234 A237 I242M199-L230 HydrophobicContact CE-CD2 3.65Å; M199-L230 HydrophobicContact CE-CG 4.36Å; M199-L230 HydrophobicContact CG-CD2 4.09Å; E202-L230 HydrophobicContact CB-CD1 3.62Å; A203-L230 HydrophobicContact CB-CD2 4.09Å; L206-L230 HydrophobicContact CD1-CB 3.89Å; L206-L230 HydrophobicContact CD1-CD1 4.03Å; V226-L230 VanDerWaalsContact O-CB 3.26Å; V226-L230 WeakPolarHBondContact O-CB 3.41Å; V226-L230 PolarHBondContact O-N 3.3Å; V227-L230 PolarHBondContact O-N 2.96Å; V227-L230 VanDerWaalsContact O-N 3.16Å; L230-P232 VanDerWaalsContact C-CD 3.46Å; L230-R233 PolarHBondContact O-N 3.07Å; L230-F234 HydrophobicContact CD1-CD2 3.5Å; L230-F234 VanDerWaalsContact CD1-CD2 3.5Å; L230-F234 HydrophobicContact CD1-CE2 3.8Å; L230-F234 HydrophobicContact CG-CB 4.42Å; L230-F234 HydrophobicContact CG-CD2 3.81Å; L230-F234 PolarHBondContact O-N 3.3Å; L230-A237 HydrophobicContact CB-CB 4.39Å; L230-A237 HydrophobicContact CD2-CB 4.17Å; L230-A237 HydrophobicContact CG-CB 4.38Å; L230-I242 HydrophobicContact CD2-CD1 3.57Å
231E95.6Very high96.6Very high98 Ų9864 Ų6446%0.45832%0.324SS..THydrogen-bonded Turntrans-54.5-39.4-177.1-172.5171.7179.100114.2V227 R233 F234 A237V227-E231 WeakPolarHBondContact CG1-OE2 3.42Å; V227-E231 WeakPolarHBondContact O-CB 3.32Å; V227-E231 PolarHBondContact O-N 3.41Å; E231-R233 VanDerWaalsContact C-N 3.26Å; E231-R233 PolarHBondContact O-N 2.77Å; E231-F234 CarbonylContact O-C 3.52Å; E231-F234 VanDerWaalsContact O-C 3.28Å; E231-F234 PolarHBondContact O-N 2.62Å; E231-A237 HydrophobicContact CB-CB 4.17Å
232P95.9Very high96.6Very high104 Ų10460.6 Ų60.668%0.67530%0.303SS*.THydrogen-bonded Turntrans-63.9-24.5176.1-23.935.5000115L230L230-P232 VanDerWaalsContact C-CD 3.46Å
233R94.9Very high96.6Very high157 Ų15761 Ų6159%0.59231%0.307SS*.THydrogen-bonded Turntrans-100.2-23177.2-69.1176.167.7-158.9-3.9112.6E202 L230 E231E202-R233 IonicContact OE1-CZ 3.46Å; E202-R233 IonicContact OE1-NH1 3.73Å; E202-R233 PolarHBondContact OE1-NH1 3.39Å; E202-R233 IonicContact OE1-NH2 2.68Å; E202-R233 PolarHBondContact OE1-NH2 2.98Å; E202-R233 IonicContact OE2-CZ 3.8Å; E202-R233 IonicContact OE2-NH1 3.36Å; E202-R233 PolarHBondContact OE2-NH1 2.91Å; L230-R233 PolarHBondContact O-N 3.07Å; E231-R233 VanDerWaalsContact C-N 3.26Å; E231-R233 PolarHBondContact O-N 2.77Å
234F95.6Very high96.6Very high34 Ų3463.3 Ų63.315%0.14932%0.317CS..  trans-141.485.2-177.1-57.7-83.5000110.1M199 E202 L230 E231 Q236 A237M199-F234 HydrophobicContact CB-CD1 3.97Å; M199-F234 HydrophobicContact CB-CE1 3.95Å; M199-F234 HydrophobicContact CB-CG 4.35Å; M199-F234 HydrophobicContact CB-CZ 4.31Å; M199-F234 HydrophobicContact CE-CB 3.7Å; M199-F234 HydrophobicContact CE-CG 4.41Å; M199-F234 HydrophobicContact CG-CB 4.15Å; M199-F234 HydrophobicContact CG-CD1 3.94Å; M199-F234 HydrophobicContact CG-CD2 4.21Å; M199-F234 HydrophobicContact CG-CE1 4.35Å; M199-F234 HydrophobicContact CG-CG 3.85Å; M199-F234 HydrophobicContact SD-CB 3.98Å; M199-F234 HydrophobicContact SD-CD1 4.31Å; M199-F234 HydrophobicContact SD-CG 4.24Å; E202-F234 HydrophobicContact CB-CE2 4.07Å; E202-F234 HydrophobicContact CG-CE2 4.01Å; E202-F234 HydrophobicContact CG-CZ 4.29Å; L230-F234 HydrophobicContact CD1-CD2 3.5Å; L230-F234 VanDerWaalsContact CD1-CD2 3.5Å; L230-F234 HydrophobicContact CD1-CE2 3.8Å; L230-F234 HydrophobicContact CG-CB 4.42Å; L230-F234 HydrophobicContact CG-CD2 3.81Å; L230-F234 PolarHBondContact O-N 3.3Å; E231-F234 CarbonylContact O-C 3.52Å; E231-F234 VanDerWaalsContact O-C 3.28Å; E231-F234 PolarHBondContact O-N 2.62Å; F234-Q236 PolarHBondContact O-N 3.16Å; F234-A237 WeakPolarHBondContact O-CB 3.43Å; F234-A237 PolarHBondContact O-N 3.4Å
235P93.4Very high96.7Very high105 Ų10560.8 Ų60.868%0.68230%0.304SS*.THydrogen-bonded Turntrans-61.2-11.2-175.8-26.736.5000115.7A237P235-A237 VanDerWaalsContact C-N 3.26Å
236Q89.3Confident96.7Very high119 Ų11958.6 Ų58.656%0.55629%0.294SS*.THydrogen-bonded Turntrans-78.9-1.416970.9-80.710.100114.1M199 F234M199-Q236 HydrophobicContact CE-CG 4.02Å; M199-Q236 HydrophobicContact SD-CG 3.77Å; M199-Q236 PolarHBondContact SD-NE2 3.01Å; M199-Q236 VanDerWaalsContact SD-NE2 3.37Å; F234-Q236 PolarHBondContact O-N 3.16Å
237A94.3Very high96.7Very high8 Ų860.4 Ų60.47%0.06630%0.302CS..  trans-63.7137.5172.900000110.4M199 L230 E231 F234 P235M199-A237 HydrophobicContact CE-CB 3.67Å; L230-A237 HydrophobicContact CB-CB 4.39Å; L230-A237 HydrophobicContact CD2-CB 4.17Å; L230-A237 HydrophobicContact CG-CB 4.38Å; E231-A237 HydrophobicContact CB-CB 4.17Å; F234-A237 WeakPolarHBondContact O-CB 3.43Å; F234-A237 PolarHBondContact O-N 3.4Å; P235-A237 VanDerWaalsContact C-N 3.26Å
238S97.1Very high96.7Very high46 Ų4660 Ų6032%0.32230%0.3SS..  trans-150.1155.3178.374.50000111T240 S241 I242S238-T240 PolarHBondContact O-N 3.27Å; S238-S241 PolarHBondContact N-OG 2.64Å; S238-S241 VanDerWaalsContact N-OG 3.1Å; S238-S241 PolarHBondContact O-N 3.13Å; S238-S241 VanDerWaalsContact O-N 3.16Å; S238-S241 PolarHBondContact O-OG 3.25Å; S238-S241 WeakPolarHBondContact OG-CB 3.43Å; S238-S241 PolarHBondContact OG-N 2.98Å; S238-S241 PolarHBondContact OG-OG 2.98Å; S238-I242 WeakPolarHBondContact O-CG1 3.49Å; S238-I242 PolarHBondContact O-N 2.96Å
239K97.8Very high96.8Very high134 Ų13453.9 Ų53.958%0.58327%0.272SS*.Hα-helixtrans-55.7-34.1176.7-57.6176.9-170.7178.80111.7V223 L224 V227 G243V223-K239 HydrophobicContact CG1-CB 4.09Å; V223-K239 WeakPolarHBondContact CG1-O 3.35Å; L224-K239 HydrophobicContact CD2-CD 3.9Å; L224-K239 VanDerWaalsContact CD2-CE 3.49Å; L224-K239 HydrophobicContact CD2-CG 4.39Å; V227-K239 HydrophobicContact CG2-CG 4.35Å; K239-G243 WeakPolarHBondContact O-CA 3.45Å; K239-G243 PolarHBondContact O-N 3.02Å
240T97.4Very high96.8Very high91 Ų9153.7 Ų53.756%0.55827%0.272SS*.Hα-helixtrans-69.7-53.3174.9-51.20000112S238 I242 G243 H244S238-T240 PolarHBondContact O-N 3.27Å; T240-I242 PolarHBondContact O-N 3.15Å; T240-G243 WeakPolarHBondContact O-CA 3.42Å; T240-G243 PolarHBondContact O-N 3.45Å; T240-G243 VanDerWaalsContact O-N 3.16Å; T240-H244 PolarHBondContact O-N 2.97Å; T240-H244 PolarHBondContact O-ND1 3.18Å
241S97.4Very high96.9Very high7 Ų757.9 Ų57.95%0.04929%0.287CS..Hα-helixtrans-66.3-37.8-176.255.80000112.9S238 H244 V245S238-S241 PolarHBondContact N-OG 2.64Å; S238-S241 VanDerWaalsContact N-OG 3.1Å; S238-S241 PolarHBondContact O-N 3.13Å; S238-S241 VanDerWaalsContact O-N 3.16Å; S238-S241 PolarHBondContact O-OG 3.25Å; S238-S241 WeakPolarHBondContact OG-CB 3.43Å; S238-S241 PolarHBondContact OG-N 2.98Å; S238-S241 PolarHBondContact OG-OG 2.98Å; S241-H244 PolarHBondContact O-N 2.98Å; S241-V245 PolarHBondContact O-N 3.13Å
242I98.4Very high97Very high1 Ų153.7 Ų53.71%0.00527%0.269CS..Hα-helixtrans-72.2-35.3172.2-60.3-59.7000111.5L195 A203 V223 V226 V227 L230 S238 T240 H244 V245 V246L195-I242 HydrophobicContact CD1-CD1 3.77Å; A203-I242 HydrophobicContact CB-CD1 4.17Å; V223-I242 HydrophobicContact CG1-CB 4.38Å; V223-I242 HydrophobicContact CG1-CG2 4.3Å; V223-I242 HydrophobicContact CG2-CG2 4.4Å; V226-I242 HydrophobicContact CB-CG2 3.87Å; V226-I242 HydrophobicContact CG1-CD1 4.11Å; V226-I242 HydrophobicContact CG1-CG1 4.38Å; V226-I242 HydrophobicContact CG1-CG2 3.66Å; V227-I242 HydrophobicContact CG2-CB 3.88Å; V227-I242 HydrophobicContact CG2-CG1 3.64Å; V227-I242 HydrophobicContact CG2-CG2 4.33Å; L230-I242 HydrophobicContact CD2-CD1 3.57Å; S238-I242 WeakPolarHBondContact O-CG1 3.49Å; S238-I242 PolarHBondContact O-N 2.96Å; T240-I242 PolarHBondContact O-N 3.15Å; I242-H244 PolarHBondContact O-N 3Å; I242-V245 PolarHBondContact O-N 2.81Å; I242-V245 VanDerWaalsContact O-N 3.08Å; I242-V246 PolarHBondContact O-N 3.38Å
243G98.5Very high97.1Very high9 Ų952 Ų529%0.09326%0.261CS..Hα-helixtrans-57.4-31.6170.400000113.5R219 K239 T240 Q247R219-G243 PolarHBondContact NH2-O 3.27Å; K239-G243 WeakPolarHBondContact O-CA 3.45Å; K239-G243 PolarHBondContact O-N 3.02Å; T240-G243 WeakPolarHBondContact O-CA 3.42Å; T240-G243 PolarHBondContact O-N 3.45Å; T240-G243 VanDerWaalsContact O-N 3.16Å; G243-Q247 PolarHBondContact O-N 3.37Å
244H98.6Very high97.3Very high60 Ų6044.6 Ų44.628%0.27823%0.232SC..Hα-helixtrans-79.5-29173.4-60.4156.8000113.9G191 Q193 T240 S241 I242 Q247 L248G191-H244 WeakPolarHBondContact O-CB 3.49Å; G191-H244 PolarHBondContact O-CD2 2.94Å; Q193-H244 HydrophobicContact CB-CB 3.42Å; Q193-H244 VanDerWaalsContact CB-CB 3.42Å; Q193-H244 PolarHBondContact N-O 2.9Å; Q193-H244 PolarHBondContact OE1-ND1 3.36Å; T240-H244 PolarHBondContact O-N 2.97Å; T240-H244 PolarHBondContact O-ND1 3.18Å; S241-H244 PolarHBondContact O-N 2.98Å; I242-H244 PolarHBondContact O-N 3Å; H244-Q247 WeakPolarHBondContact O-CB 3.22Å; H244-Q247 PolarHBondContact O-N 3.37Å; H244-L248 PolarHBondContact O-N 3.49Å; H244-L248 VanDerWaalsContact O-N 3.11Å
245V98.7Very high97.4Very high1 Ų143.5 Ų43.51%0.00623%0.228CC..Hα-helixtrans-67.5-44.8169.8176.80000110.1L195 L204 S241 I242 Q247 L248 L249L195-V245 HydrophobicContact CD1-CG2 3.65Å; L195-V245 HydrophobicContact CG-CG2 3.89Å; L204-V245 HydrophobicContact CD2-CG1 4.4Å; S241-V245 PolarHBondContact O-N 3.13Å; I242-V245 PolarHBondContact O-N 2.81Å; I242-V245 VanDerWaalsContact O-N 3.08Å; V245-Q247 PolarHBondContact O-N 3.45Å; V245-L248 WeakPolarHBondContact O-CB 3.38Å; V245-L248 PolarHBondContact O-N 3Å; V245-L248 VanDerWaalsContact O-N 3.1Å; V245-L249 PolarHBondContact O-N 3Å; V245-L249 VanDerWaalsContact O-N 3.16Å
246V98.6Very high97.6Very high0 Ų044.5 Ų44.50%022%0.221CC..Hα-helixtrans-63.1-31.1172.9176.90000111.4R219 L222 V223 I242 L248 Y250 F255 M267R219-V246 HydrophobicContact CG-CG1 4.24Å; L222-V246 HydrophobicContact CD2-CG1 4.12Å; L222-V246 HydrophobicContact CD2-CG2 4.05Å; L222-V246 HydrophobicContact CG-CG2 4.44Å; V223-V246 HydrophobicContact CG2-CG2 4.07Å; I242-V246 PolarHBondContact O-N 3.38Å; V246-L248 VanDerWaalsContact C-N 3.35Å; V246-Y250 WeakPolarHBondContact O-CB 3.28Å; V246-Y250 PolarHBondContact O-N 2.79Å; V246-F255 HydrophobicContact CG1-CE2 4.31Å; V246-F255 HydrophobicContact CG1-CZ 4.44Å; V246-M267 HydrophobicContact CG1-CE 3.77Å
247Q98.7Very high98.1Very high38 Ų3841.6 Ų41.618%0.17821%0.212CC..Hα-helixtrans-65.6-36.8173-167.154.672.200112.8G191 R219 G243 H244 V245 Y250 R251G191-Q247 VanDerWaalsContact O-CB 3.31Å; G191-Q247 WeakPolarHBondContact O-CB 3.42Å; G191-Q247 WeakPolarHBondContact O-CG 3.31Å; R219-Q247 VanDerWaalsContact CZ-OE1 3.26Å; G243-Q247 PolarHBondContact O-N 3.37Å; H244-Q247 WeakPolarHBondContact O-CB 3.22Å; H244-Q247 PolarHBondContact O-N 3.37Å; V245-Q247 PolarHBondContact O-N 3.45Å; Q247-Y250 WeakPolarHBondContact O-CB 3.04Å; Q247-Y250 PolarHBondContact O-N 2.95Å; Q247-R251 PolarHBondContact O-N 3.15Å
248L98.8Very high98.2Very high0 Ų044.3 Ų44.30%023%0.227CC..Hα-helixtrans-67.1-45.6178.4-177.760.3000110.8C192 H244 V245 V246 Y250 R251 A252 H283 Q286 I287 I290C192-L248 HydrophobicContact CB-CB 4.03Å; C192-L248 HydrophobicContact CB-CD1 4.05Å; H244-L248 PolarHBondContact O-N 3.49Å; H244-L248 VanDerWaalsContact O-N 3.11Å; V245-L248 WeakPolarHBondContact O-CB 3.38Å; V245-L248 PolarHBondContact O-N 3Å; V245-L248 VanDerWaalsContact O-N 3.1Å; V246-L248 VanDerWaalsContact C-N 3.35Å; L248-Y250 VanDerWaalsContact C-N 3.28Å; L248-Y250 PolarHBondContact O-N 3.45Å; L248-R251 PolarHBondContact O-N 3.37Å; L248-A252 WeakPolarHBondContact O-CB 3.23Å; L248-A252 PolarHBondContact O-N 2.97Å; L248-H283 VanDerWaalsContact CD2-CD2 3.5Å; L248-H283 WeakPolarHBondContact CD2-CD2 3.38Å; L248-H283 WeakPolarHBondContact CD2-NE2 3.45Å; L248-Q286 HydrophobicContact CD1-CB 4.22Å; L248-Q286 HydrophobicContact CD1-CG 3.56Å; L248-I287 HydrophobicContact CD1-CG1 4.19Å; L248-I287 HydrophobicContact CD2-CD1 3.88Å; L248-I287 HydrophobicContact CD2-CG1 3.78Å; L248-I290 HydrophobicContact CD1-CD1 3.92Å
249L98.7Very high98.1Very high0 Ų050.5 Ų50.50%025%0.248CC..Hα-helixtrans-64.2-31173.2-64.1-176.8000113.1L204 V207 V245 S253 C254 F255 L279 H283L204-L249 HydrophobicContact CD2-CD1 3.8Å; L204-L249 HydrophobicContact CD2-CD2 3.87Å; L204-L249 HydrophobicContact CD2-CG 4.16Å; V207-L249 HydrophobicContact CG1-CD1 3.93Å; V245-L249 PolarHBondContact O-N 3Å; V245-L249 VanDerWaalsContact O-N 3.16Å; L249-S253 PolarHBondContact O-N 2.89Å; L249-C254 HydrophobicContact CB-CB 4.46Å; L249-C254 WeakPolarHBondContact O-CB 3.45Å; L249-C254 PolarHBondContact O-N 2.9Å; L249-C254 VanDerWaalsContact O-N 3.09Å; L249-F255 HydrophobicContact CB-CD2 4.5Å; L249-F255 HydrophobicContact CB-CE2 3.51Å; L249-F255 HydrophobicContact CB-CZ 3.75Å; L249-F255 HydrophobicContact CD1-CZ 4.08Å; L249-L279 HydrophobicContact CD1-CD1 4.22Å; L249-L279 HydrophobicContact CD1-CD2 4.32Å; L249-L279 HydrophobicContact CD2-CD1 3.69Å; L249-L279 HydrophobicContact CD2-CG 4.21Å; L249-H283 HydrophobicContact CD2-CB 3.96Å
250Y98.6Very high98Very high114 Ų11448.6 Ų48.645%0.44724%0.237SC..Hα-helixtrans-67.7-44.4172.7-177.9-76.3000111.7V246 Q247 L248 A252 S253 V257 M267V246-Y250 WeakPolarHBondContact O-CB 3.28Å; V246-Y250 PolarHBondContact O-N 2.79Å; Q247-Y250 WeakPolarHBondContact O-CB 3.04Å; Q247-Y250 PolarHBondContact O-N 2.95Å; L248-Y250 VanDerWaalsContact C-N 3.28Å; L248-Y250 PolarHBondContact O-N 3.45Å; Y250-A252 VanDerWaalsContact C-N 3.34Å; Y250-S253 PolarHBondContact O-N 3.18Å; Y250-S253 VanDerWaalsContact O-N 3.08Å; Y250-V257 HydrophobicContact CD2-CG2 4.42Å; Y250-V257 HydrophobicContact CE2-CG2 3.91Å; Y250-M267 HydrophobicContact CD2-CE 4.11Å
251R98.3Very high97.6Very high89 Ų8951.6 Ų51.634%0.33625%0.25SS..Hα-helixtrans-63.2-42.8174.3-70.3-174.166.7111-0.5111.2C192 Q247 L248 S253 Q286 E293C192-R251 VanDerWaalsContact SG-CD 3.52Å; Q247-R251 PolarHBondContact O-N 3.15Å; L248-R251 PolarHBondContact O-N 3.37Å; R251-S253 PolarHBondContact O-N 3.14Å; R251-S253 PolarHBondContact O-OG 2.95Å; R251-Q286 HydrophobicContact CB-CG 4.27Å; R251-Q286 PolarHBondContact O-OE1 2.97Å; R251-E293 IonicContact NH2-OE1 2.62Å; R251-E293 IonicContact NH2-OE2 2.72Å
252A98.1Very high97.1Very high10 Ų1060.7 Ų60.78%0.08329%0.292CS..THydrogen-bonded Turntrans-63.51.4173.600000113.8L248 Y250 C254 E282 Q286L248-A252 WeakPolarHBondContact O-CB 3.23Å; L248-A252 PolarHBondContact O-N 2.97Å; Y250-A252 VanDerWaalsContact C-N 3.34Å; A252-C254 PolarHBondContact O-N 3.18Å; A252-C254 VanDerWaalsContact O-N 3.13Å; A252-E282 HydrophobicContact CB-CG 4.35Å; A252-Q286 HydrophobicContact CB-CB 3.7Å; A252-Q286 HydrophobicContact CB-CG 4.03Å; A252-Q286 VanDerWaalsContact N-OE1 3.15Å
253S98.4Very high96.9Very high70 Ų7064.8 Ų64.849%0.4931%0.314SS..THydrogen-bonded Turntrans58.128175.3-600000114L249 Y250 R251 F255 K270L249-S253 PolarHBondContact O-N 2.89Å; Y250-S253 PolarHBondContact O-N 3.18Å; Y250-S253 VanDerWaalsContact O-N 3.08Å; R251-S253 PolarHBondContact O-N 3.14Å; R251-S253 PolarHBondContact O-OG 2.95Å; S253-F255 PolarHBondContact O-N 2.86Å; S253-K270 WeakPolarHBondContact O-CE 3.3Å; S253-K270 PolarHBondContact O-NZ 3.39Å
254C98.6Very high96.6Very high0 Ų067.3 Ų67.30%033%0.33CS..  trans-71-16.4-178.7-55.40000113.1L249 A252 L269 K270 F273 L279L249-C254 HydrophobicContact CB-CB 4.46Å; L249-C254 WeakPolarHBondContact O-CB 3.45Å; L249-C254 PolarHBondContact O-N 2.9Å; L249-C254 VanDerWaalsContact O-N 3.09Å; A252-C254 PolarHBondContact O-N 3.18Å; A252-C254 VanDerWaalsContact O-N 3.13Å; C254-L269 HydrophobicContact CB-CD1 4.12Å; C254-K270 PolarHBondContact O-N 2.94Å; C254-F273 HydrophobicContact CB-CD2 4.01Å; C254-F273 HydrophobicContact CB-CE2 4.5Å; C254-F273 HydrophobicContact CB-CG 4.37Å; C254-L279 HydrophobicContact CB-CD1 3.92Å
255F98.6Very high96.6Very high12 Ų1266.9 Ų66.95%0.05333%0.334CS..EExtended strand (participates in β ladder)trans-106.8140.8-174.7-55.5-67.4000113L211 L222 V246 L249 S253 V257 M267 Q268 L269L211-F255 HydrophobicContact CD1-CD1 4.31Å; L211-F255 HydrophobicContact CD1-CE1 3.68Å; L222-F255 HydrophobicContact CD2-CZ 4.47Å; V246-F255 HydrophobicContact CG1-CE2 4.31Å; V246-F255 HydrophobicContact CG1-CZ 4.44Å; L249-F255 HydrophobicContact CB-CD2 4.5Å; L249-F255 HydrophobicContact CB-CE2 3.51Å; L249-F255 HydrophobicContact CB-CZ 3.75Å; L249-F255 HydrophobicContact CD1-CZ 4.08Å; S253-F255 PolarHBondContact O-N 2.86Å; F255-V257 HydrophobicContact CB-CG2 4.12Å; F255-M267 HydrophobicContact CB-CB 4.45Å; F255-M267 HydrophobicContact CB-CE 4.38Å; F255-M267 HydrophobicContact CD1-CB 4.27Å; F255-M267 HydrophobicContact CD1-CE 4.17Å; F255-M267 HydrophobicContact CD2-CE 3.19Å; F255-M267 HydrophobicContact CE1-CE 4.27Å; F255-M267 HydrophobicContact CE2-CE 3.29Å; F255-M267 HydrophobicContact CG-CB 4.32Å; F255-M267 HydrophobicContact CG-CE 3.66Å; F255-M267 HydrophobicContact CZ-CE 3.86Å; F255-Q268 CarbonylContact C-O 3.55Å; F255-Q268 VanDerWaalsContact CA-O 3.25Å; F255-Q268 WeakPolarHBondContact CA-O 3.49Å; F255-L269 HydrophobicContact CD1-CD1 4.09Å; F255-L269 HydrophobicContact CE1-CD1 3.94Å
256K97.8Very high96.5Very high126 Ų12668.8 Ų68.855%0.54834%0.344SS..EExtended strand (participates in β ladder)trans-82.2126.8153.5-175.4177.9-179.4-179.70107.4Q268 K270K256-Q268 HydrophobicContact CB-CB 4.49Å; K256-Q268 PolarHBondContact N-O 2.94Å; K256-Q268 PolarHBondContact O-N 3.37Å; K256-K270 HydrophobicContact CB-CG 4.37Å
257V97.9Very high96.5Very high58 Ų5869.2 Ų69.235%0.35235%0.346SS..EExtended strand (participates in β ladder)trans-114.4108.7-172.9-175.80000110Y250 F255 L266Y250-V257 HydrophobicContact CD2-CG2 4.42Å; Y250-V257 HydrophobicContact CE2-CG2 3.91Å; F255-V257 HydrophobicContact CB-CG2 4.12Å; V257-L266 CarbonylContact C-O 3.58Å; V257-L266 WeakPolarHBondContact CA-O 3.48Å
258T96.6Very high96.5Very high64 Ų6469.8 Ų69.839%0.39335%0.349SS..EExtended strand (participates in β ladder)trans-92.2108.6177.5-55.40000108.8S265 L266T258-S265 CarbonylContact O-C 3.55Å; T258-S265 WeakPolarHBondContact O-CA 3.35Å; T258-S265 WeakPolarHBondContact O-CB 3.37Å; T258-L266 PolarHBondContact N-O 3.27Å; T258-L266 PolarHBondContact O-N 2.87Å
259K95.6Very high96.5Very high176 Ų17669.8 Ų69.877%0.76535%0.349SS*.EExtended strand (participates in β ladder)trans-66.1149.2166.6-65.2-179.7-177.9176.30109.4
260R95.1Very high96.4Very high94 Ų9473.2 Ų73.236%0.35536%0.363SS..EExtended strand (participates in β ladder)trans-138.4141.8171.4-63.6-173.9-63.6130.23106.5D263 S264R260-D263 IonicContact CZ-OD2 2.68Å; R260-D263 IonicContact NH1-OD2 3.57Å; R260-D263 PolarHBondContact NH1-OD2 3.29Å; R260-D263 IonicContact NH2-OD1 2.62Å; R260-D263 PolarHBondContact NH2-OD1 2.89Å; R260-D263 IonicContact NH2-OD2 3.89Å; R260-D263 PolarHBondContact NH2-OD2 3.03Å; R260-D263 VanDerWaalsContact O-O 3.13Å; R260-S264 PolarHBondContact NE-O 3.08Å; R260-S264 PolarHBondContact NH2-O 3.38Å
261D89.5Confident96.4Very high155 Ų15575.4 Ų75.483%0.82938%0.378SS*.THydrogen-bonded Turntrans-74.2141.4179.7-51-56.6000109.6D263D261-D263 PolarHBondContact O-N 3.1Å
262E88.1Confident96.4Very high197 Ų19776.3 Ų76.392%0.92139%0.386SS*.THydrogen-bonded Turntrans53.89.1-175.6-54.3-50.3100.400118
263D92.4Very high96.4Very high88 Ų8877 Ų7747%0.47139%0.387SS..EExtended strand (participates in β ladder)trans-141.6161.4177.2-163.3-0.3000113.1R260 D261 S265R260-D263 IonicContact CZ-OD2 2.68Å; R260-D263 IonicContact NH1-OD2 3.57Å; R260-D263 PolarHBondContact NH1-OD2 3.29Å; R260-D263 IonicContact NH2-OD1 2.62Å; R260-D263 PolarHBondContact NH2-OD1 2.89Å; R260-D263 IonicContact NH2-OD2 3.89Å; R260-D263 PolarHBondContact NH2-OD2 3.03Å; R260-D263 VanDerWaalsContact O-O 3.13Å; D261-D263 PolarHBondContact O-N 3.1Å; D263-S265 PolarHBondContact O-N 3.11Å
264S94.2Very high96.4Very high62 Ų6276.8 Ų76.843%0.43438%0.375SS..EExtended strand (participates in β ladder)trans-55.6126.8-179.2-61.60000112R260R260-S264 PolarHBondContact NE-O 3.08Å; R260-S264 PolarHBondContact NH2-O 3.38Å
265S96.9Very high96.4Very high51 Ų5180.7 Ų80.736%0.35740%0.399SS..EExtended strand (participates in β ladder)trans-56.4141.2174.3-43.80000111.5T258 D263T258-S265 CarbonylContact O-C 3.55Å; T258-S265 WeakPolarHBondContact O-CA 3.35Å; T258-S265 WeakPolarHBondContact O-CB 3.37Å; D263-S265 PolarHBondContact O-N 3.11Å
266L97.7Very high96.4Very high41 Ų4182.4 Ų82.422%0.21541%0.406CS..EExtended strand (participates in β ladder)trans-93.5145.9177.7-56.3179.8000110.2A216 V257 T258A216-L266 HydrophobicContact CB-CB 4.15Å; A216-L266 HydrophobicContact CB-CD1 4.32Å; V257-L266 CarbonylContact C-O 3.58Å; V257-L266 WeakPolarHBondContact CA-O 3.48Å; T258-L266 PolarHBondContact N-O 3.27Å; T258-L266 PolarHBondContact O-N 2.87Å
267M98.3Very high96.4Very high9 Ų982.1 Ų82.14%0.04441%0.407CS..EExtended strand (participates in β ladder)trans-121.2119.2-179.3-60.5172.359.600108L217 R219 V246 Y250 F255L217-M267 PolarHBondContact N-O 3.34Å; L217-M267 WeakPolarHBondContact O-CB 3.41Å; L217-M267 PolarHBondContact O-N 2.87Å; R219-M267 HydrophobicContact CB-SD 3.84Å; R219-M267 HydrophobicContact CG-SD 4.28Å; V246-M267 HydrophobicContact CG1-CE 3.77Å; Y250-M267 HydrophobicContact CD2-CE 4.11Å; F255-M267 HydrophobicContact CB-CB 4.45Å; F255-M267 HydrophobicContact CB-CE 4.38Å; F255-M267 HydrophobicContact CD1-CB 4.27Å; F255-M267 HydrophobicContact CD1-CE 4.17Å; F255-M267 HydrophobicContact CD2-CE 3.19Å; F255-M267 HydrophobicContact CE1-CE 4.27Å; F255-M267 HydrophobicContact CE2-CE 3.29Å; F255-M267 HydrophobicContact CG-CB 4.32Å; F255-M267 HydrophobicContact CG-CE 3.66Å; F255-M267 HydrophobicContact CZ-CE 3.86Å
268Q98Very high96.4Very high50 Ų5080.6 Ų80.623%0.23440%0.4CS..EExtended strand (participates in β ladder)trans-113.1138175.5-177.1-175.141.800108.2G214 A216 F255 K256 K270G214-Q268 WeakPolarHBondContact O-CG 3.5Å; G214-Q268 PolarHBondContact O-NE2 3.03Å; A216-Q268 HydrophobicContact CB-CB 4.22Å; F255-Q268 CarbonylContact C-O 3.55Å; F255-Q268 VanDerWaalsContact CA-O 3.25Å; F255-Q268 WeakPolarHBondContact CA-O 3.49Å; K256-Q268 HydrophobicContact CB-CB 4.49Å; K256-Q268 PolarHBondContact N-O 2.94Å; K256-Q268 PolarHBondContact O-N 3.37Å; Q268-K270 PolarHBondContact O-N 3.39Å
269L98.4Very high96.5Very high0 Ų077.5 Ų77.50%038%0.381CS..EExtended strand (participates in β ladder)trans-73.3126.4175.8-162.965.1000109.7L208 L211 C254 F255 F273 R274 L279L208-L269 HydrophobicContact CD2-CD2 3.87Å; L211-L269 HydrophobicContact CB-CB 3.73Å; L211-L269 HydrophobicContact CB-CD2 4.41Å; L211-L269 HydrophobicContact CD1-CB 4.21Å; C254-L269 HydrophobicContact CB-CD1 4.12Å; F255-L269 HydrophobicContact CD1-CD1 4.09Å; F255-L269 HydrophobicContact CE1-CD1 3.94Å; L269-F273 HydrophobicContact CD1-CB 4.18Å; L269-F273 WeakPolarHBondContact CD2-O 3.44Å; L269-F273 HydrophobicContact CG-CB 4.22Å; L269-R274 HydrophobicContact CB-CG 4.48Å; L269-R274 HydrophobicContact CD2-CG 4.24Å; L269-R274 HydrophobicContact CG-CG 4.38Å; L269-R274 PolarHBondContact O-NE 3.43Å; L269-R274 VanDerWaalsContact O-NE 3.12Å; L269-R274 PolarHBondContact O-NH2 3.36Å; L269-L279 HydrophobicContact CD1-CD1 4.05Å
270K98.5Very high96.6Very high71 Ų7169.3 Ų69.331%0.30935%0.345SS..  trans-63.5150.1176.3-57.1177.7-179.1166.10109.9S253 C254 K256 Q268 E272 F273S253-K270 WeakPolarHBondContact O-CE 3.3Å; S253-K270 PolarHBondContact O-NZ 3.39Å; C254-K270 PolarHBondContact O-N 2.94Å; K256-K270 HydrophobicContact CB-CG 4.37Å; Q268-K270 PolarHBondContact O-N 3.39Å; K270-E272 VanDerWaalsContact C-N 3.33Å; K270-E272 WeakPolarHBondContact CB-OE1 3.47Å; K270-E272 VanDerWaalsContact CB-OE2 3.28Å; K270-E272 WeakPolarHBondContact CB-OE2 3.39Å; K270-E272 WeakPolarHBondContact CD-OE1 3.27Å; K270-E272 PolarHBondContact O-N 2.89Å; K270-F273 HydrophobicContact CB-CD2 4.07Å; K270-F273 HydrophobicContact CD-CD2 4.43Å; K270-F273 HydrophobicContact CD-CE2 4.22Å; K270-F273 PolarHBondContact O-N 3.06Å
271E97.7Very high96.8Very high161 Ų16167.6 Ų67.675%0.75234%0.339SS*.G310 helixtrans-60.7-41.3-166.1-165.6171.9173.400112.8F273 R274E271-F273 PolarHBondContact O-N 3.16Å; E271-F273 VanDerWaalsContact O-N 3.11Å; E271-R274 PolarHBondContact O-N 3.34Å; E271-R274 VanDerWaalsContact O-N 3.14Å
272E97.6Very high97.2Very high108 Ų10862.7 Ų62.751%0.50531%0.311SS..G310 helixtrans-60.3-20.717768-84.1-162.700114.2K270 A278K270-E272 VanDerWaalsContact C-N 3.33Å; K270-E272 WeakPolarHBondContact CB-OE1 3.47Å; K270-E272 VanDerWaalsContact CB-OE2 3.28Å; K270-E272 WeakPolarHBondContact CB-OE2 3.39Å; K270-E272 WeakPolarHBondContact CD-OE1 3.27Å; K270-E272 PolarHBondContact O-N 2.89Å; E272-A278 WeakPolarHBondContact O-CB 3.31Å
273F98.4Very high97.7Very high23 Ų2353.3 Ų53.310%0.10127%0.267CS..G310 helixtrans-104.26.4-179.8-57.2-58.4000114.1C254 L269 K270 E271 T275 A278 L279 E282C254-F273 HydrophobicContact CB-CD2 4.01Å; C254-F273 HydrophobicContact CB-CE2 4.5Å; C254-F273 HydrophobicContact CB-CG 4.37Å; L269-F273 HydrophobicContact CD1-CB 4.18Å; L269-F273 WeakPolarHBondContact CD2-O 3.44Å; L269-F273 HydrophobicContact CG-CB 4.22Å; K270-F273 HydrophobicContact CB-CD2 4.07Å; K270-F273 HydrophobicContact CD-CD2 4.43Å; K270-F273 HydrophobicContact CD-CE2 4.22Å; K270-F273 PolarHBondContact O-N 3.06Å; E271-F273 PolarHBondContact O-N 3.16Å; E271-F273 VanDerWaalsContact O-N 3.11Å; F273-T275 PolarHBondContact O-N 3.07Å; F273-A278 HydrophobicContact CD1-CB 4.35Å; F273-L279 HydrophobicContact CB-CD1 4.29Å; F273-E282 HydrophobicContact CD1-CB 4.11Å; F273-E282 HydrophobicContact CE1-CB 3.61Å; F273-E282 HydrophobicContact CE1-CG 3.71Å; F273-E282 HydrophobicContact CZ-CB 4.27Å; F273-E282 HydrophobicContact CZ-CG 3.87Å
274R98.1Very high98Very high66 Ų6649.1 Ų49.125%0.24924%0.244CC..SBendtrans-77.225.2179.5-63.3176-178.6-161.710.2114.4E212 D213 G214 L269 E271E212-R274 WeakPolarHBondContact O-CD 3.46Å; E212-R274 PolarHBondContact O-NH1 2.9Å; D213-R274 PolarHBondContact O-NH1 3.15Å; G214-R274 VanDerWaalsContact CA-NH1 3.3Å; G214-R274 VanDerWaalsContact CA-NH2 3.28Å; L269-R274 HydrophobicContact CB-CG 4.48Å; L269-R274 HydrophobicContact CD2-CG 4.24Å; L269-R274 HydrophobicContact CG-CG 4.38Å; L269-R274 PolarHBondContact O-NE 3.43Å; L269-R274 VanDerWaalsContact O-NE 3.12Å; L269-R274 PolarHBondContact O-NH2 3.36Å; E271-R274 PolarHBondContact O-N 3.34Å; E271-R274 VanDerWaalsContact O-N 3.14Å
275T98.3Very high98.2Very high82 Ų8246.6 Ų46.650%0.50323%0.227SC..SBendtrans-133.1148.8171.764.10000109.5F273 E277 A278 L279F273-T275 PolarHBondContact O-N 3.07Å; T275-E277 VanDerWaalsContact C-N 3.32Å; T275-E277 PolarHBondContact O-N 2.88Å; T275-A278 PolarHBondContact O-N 3.19Å; T275-A278 VanDerWaalsContact OG1-CB 3.31Å; T275-A278 WeakPolarHBondContact OG1-CB 3.09Å; T275-A278 PolarHBondContact OG1-N 2.71Å; T275-L279 PolarHBondContact O-N 2.7Å
276Y98.5Very high98.3Very high49 Ų4944.6 Ų44.619%0.19221%0.212CC..Hα-helixtrans-56.7-46.1-179.9-179.1-93.7000112.1E201 L204 K205 L208 A278 L279 R280E201-Y276 HydrophobicContact CG-CE2 4.15Å; E201-Y276 WeakPolarHBondContact CG-OH 3.39Å; L204-Y276 HydrophobicContact CB-CE2 4.16Å; K205-Y276 HydrophobicContact CD-CD2 4.47Å; K205-Y276 HydrophobicContact CD-CE2 4.45Å; K205-Y276 HydrophobicContact CG-CD2 3.62Å; K205-Y276 HydrophobicContact CG-CE2 3.83Å; L208-Y276 HydrophobicContact CD1-CD2 4.03Å; Y276-A278 PolarHBondContact O-N 3Å; Y276-L279 PolarHBondContact O-N 2.91Å; Y276-R280 HydrophobicContact CD1-CB 4.34Å; Y276-R280 HydrophobicContact CE1-CB 3.91Å; Y276-R280 HydrophobicContact CE1-CG 4.02Å; Y276-R280 HydrophobicContact CE2-CB 4.49Å; Y276-R280 WeakPolarHBondContact O-CB 3.41Å; Y276-R280 PolarHBondContact O-N 3.47Å; Y276-R280 PolarHBondContact OH-NH1 3.31Å; Y276-R280 VanDerWaalsContact OH-NH1 3.16Å
277E98.1Very high98.4Very high120 Ų12042.6 Ų42.656%0.56120%0.202SC*.Hα-helixtrans-60-42.5-179.4-61.6-53.7128.700113.1T275 R281T275-E277 VanDerWaalsContact C-N 3.32Å; T275-E277 PolarHBondContact O-N 2.88Å; E277-R281 VanDerWaalsContact O-CB 3.23Å; E277-R281 WeakPolarHBondContact O-CB 3.28Å; E277-R281 PolarHBondContact O-N 3.46Å
278A98.3Very high98.4Very high25 Ų2542.3 Ų42.321%0.20720%0.2CC..Hα-helixtrans-71.9-47.9179.500000111.9E272 F273 T275 Y276 R280 R281 E282E272-A278 WeakPolarHBondContact O-CB 3.31Å; F273-A278 HydrophobicContact CD1-CB 4.35Å; T275-A278 PolarHBondContact O-N 3.19Å; T275-A278 VanDerWaalsContact OG1-CB 3.31Å; T275-A278 WeakPolarHBondContact OG1-CB 3.09Å; T275-A278 PolarHBondContact OG1-N 2.71Å; Y276-A278 PolarHBondContact O-N 3Å; A278-R280 VanDerWaalsContact C-N 3.29Å; A278-R280 PolarHBondContact O-N 3.45Å; A278-R281 PolarHBondContact O-N 2.88Å; A278-E282 PolarHBondContact O-N 3.47Å
279L98.7Very high98.3Very high0 Ų042.9 Ų42.90%020%0.203CC..Hα-helixtrans-62.3-39.1177.5-173.659.9000111.6L204 V207 L208 L249 C254 L269 F273 T275 Y276 E282 H283L204-L279 HydrophobicContact CD2-CD2 4.4Å; V207-L279 HydrophobicContact CG1-CD2 4.45Å; L208-L279 HydrophobicContact CD1-CB 4.37Å; L208-L279 HydrophobicContact CD1-CD2 3.85Å; L208-L279 HydrophobicContact CD2-CD2 4.23Å; L208-L279 HydrophobicContact CG-CD2 3.71Å; L249-L279 HydrophobicContact CD1-CD1 4.22Å; L249-L279 HydrophobicContact CD1-CD2 4.32Å; L249-L279 HydrophobicContact CD2-CD1 3.69Å; L249-L279 HydrophobicContact CD2-CG 4.21Å; C254-L279 HydrophobicContact CB-CD1 3.92Å; L269-L279 HydrophobicContact CD1-CD1 4.05Å; F273-L279 HydrophobicContact CB-CD1 4.29Å; T275-L279 PolarHBondContact O-N 2.7Å; Y276-L279 PolarHBondContact O-N 2.91Å; L279-E282 PolarHBondContact O-N 2.77Å; L279-H283 VanDerWaalsContact O-CB 3.23Å; L279-H283 WeakPolarHBondContact O-CB 3.25Å; L279-H283 PolarHBondContact O-N 2.88Å
280R98.8Very high98.2Very high3 Ų342.9 Ų42.91%0.01120%0.203CC..Hα-helixtrans-69.1-42.3178.8-17961.3-162.7-93.32.1111.8Y276 A278 E282 H283 D284 L307 Y308Y276-R280 HydrophobicContact CD1-CB 4.34Å; Y276-R280 HydrophobicContact CE1-CB 3.91Å; Y276-R280 HydrophobicContact CE1-CG 4.02Å; Y276-R280 HydrophobicContact CE2-CB 4.49Å; Y276-R280 WeakPolarHBondContact O-CB 3.41Å; Y276-R280 PolarHBondContact O-N 3.47Å; Y276-R280 PolarHBondContact OH-NH1 3.31Å; Y276-R280 VanDerWaalsContact OH-NH1 3.16Å; A278-R280 VanDerWaalsContact C-N 3.29Å; A278-R280 PolarHBondContact O-N 3.45Å; R280-E282 VanDerWaalsContact C-N 3.33Å; R280-E282 PolarHBondContact O-N 2.94Å; R280-H283 PolarHBondContact O-N 2.78Å; R280-D284 IonicContact CZ-OD1 2.69Å; R280-D284 IonicContact CZ-OD2 2.72Å; R280-D284 VanDerWaalsContact NE-CG 3.32Å; R280-D284 IonicContact NE-OD1 3.93Å; R280-D284 PolarHBondContact NE-OD1 3.29Å; R280-D284 IonicContact NE-OD2 3.15Å; R280-D284 PolarHBondContact NE-OD2 3Å; R280-D284 VanDerWaalsContact NE-OD2 3.13Å; R280-D284 IonicContact NH2-OD1 3.14Å; R280-D284 PolarHBondContact NH2-OD1 3.17Å; R280-D284 IonicContact NH2-OD2 2.66Å; R280-D284 PolarHBondContact NH2-OD2 2.72Å; R280-D284 WeakPolarHBondContact O-CB 3.16Å; R280-D284 PolarHBondContact O-N 3.39Å; R280-L307 PolarHBondContact NH2-O 3.42Å; R280-Y308 PolarHBondContact NE-OH 2.97Å; R280-Y308 VanDerWaalsContact NH1-CE1 3.28Å; R280-Y308 VanDerWaalsContact NH2-CE2 3.26Å
281R98.5Very high98Very high59 Ų5939.6 Ų39.622%0.22319%0.189CC..Hα-helixtrans-58.6-43.9173.8171.1172.1-88.9-90.56.1111.5E277 A278 D284 S285 H316 S319 I320E277-R281 VanDerWaalsContact O-CB 3.23Å; E277-R281 WeakPolarHBondContact O-CB 3.28Å; E277-R281 PolarHBondContact O-N 3.46Å; A278-R281 PolarHBondContact O-N 2.88Å; R281-D284 PolarHBondContact O-N 3.39Å; R281-S285 WeakPolarHBondContact O-CB 3.39Å; R281-S285 PolarHBondContact O-N 3.02Å; R281-H316 WeakPolarHBondContact CB-NE2 3.37Å; R281-S319 PolarHBondContact NH1-O 3.07Å; R281-S319 PolarHBondContact NH2-OG 2.9Å; R281-I320 HydrophobicContact CG-CD1 4.32Å; R281-I320 HydrophobicContact CG-CG1 4.32Å
282E98.5Very high97.7Very high51 Ų5133.5 Ų33.524%0.23816%0.161CC..Hα-helixtrans-76.6-33.8-177.7-150.558.5-110.700113A252 F273 A278 L279 R280 S285 Q286A252-E282 HydrophobicContact CB-CG 4.35Å; F273-E282 HydrophobicContact CD1-CB 4.11Å; F273-E282 HydrophobicContact CE1-CB 3.61Å; F273-E282 HydrophobicContact CE1-CG 3.71Å; F273-E282 HydrophobicContact CZ-CB 4.27Å; F273-E282 HydrophobicContact CZ-CG 3.87Å; A278-E282 PolarHBondContact O-N 3.47Å; L279-E282 PolarHBondContact O-N 2.77Å; R280-E282 VanDerWaalsContact C-N 3.33Å; R280-E282 PolarHBondContact O-N 2.94Å; E282-S285 WeakPolarHBondContact O-CB 3.24Å; E282-S285 WeakPolarHBondContact OE1-CB 3.37Å; E282-S285 PolarHBondContact OE1-OG 3.17Å; E282-Q286 WeakPolarHBondContact O-CB 3.47Å; E282-Q286 PolarHBondContact O-N 3.29Å
283H98.7Very high97.3Very high0 Ų032.8 Ų32.80%016%0.158CC..Hα-helixtrans-55.6-49.8166.3164.3-83.2000112.1Q200 L204 L248 L249 L279 R280 Q286 I287Q200-H283 PolarHBondContact NE2-NE2 3.18Å; L204-H283 HydrophobicContact CD1-CB 4.27Å; L248-H283 VanDerWaalsContact CD2-CD2 3.5Å; L248-H283 WeakPolarHBondContact CD2-CD2 3.38Å; L248-H283 WeakPolarHBondContact CD2-NE2 3.45Å; L249-H283 HydrophobicContact CD2-CB 3.96Å; L279-H283 VanDerWaalsContact O-CB 3.23Å; L279-H283 WeakPolarHBondContact O-CB 3.25Å; L279-H283 PolarHBondContact O-N 2.88Å; R280-H283 PolarHBondContact O-N 2.78Å; H283-Q286 PolarHBondContact O-N 3.46Å; H283-I287 VanDerWaalsContact CE1-CD1 3.47Å; H283-I287 WeakPolarHBondContact CE1-CD1 3.35Å; H283-I287 PolarHBondContact O-N 2.88Å
284D98.7Very high96.7Very high0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-70.3-40.6-178.8-73.25.1000111.3R280 R281 Q286 I287 V288 L307 Y308 M317 I320R280-D284 IonicContact CZ-OD1 2.69Å; R280-D284 IonicContact CZ-OD2 2.72Å; R280-D284 VanDerWaalsContact NE-CG 3.32Å; R280-D284 IonicContact NE-OD1 3.93Å; R280-D284 PolarHBondContact NE-OD1 3.29Å; R280-D284 IonicContact NE-OD2 3.15Å; R280-D284 PolarHBondContact NE-OD2 3Å; R280-D284 VanDerWaalsContact NE-OD2 3.13Å; R280-D284 IonicContact NH2-OD1 3.14Å; R280-D284 PolarHBondContact NH2-OD1 3.17Å; R280-D284 IonicContact NH2-OD2 2.66Å; R280-D284 PolarHBondContact NH2-OD2 2.72Å; R280-D284 WeakPolarHBondContact O-CB 3.16Å; R280-D284 PolarHBondContact O-N 3.39Å; R281-D284 PolarHBondContact O-N 3.39Å; D284-Q286 VanDerWaalsContact C-N 3.33Å; D284-Q286 PolarHBondContact O-N 3.4Å; D284-I287 PolarHBondContact O-N 3.19Å; D284-I287 VanDerWaalsContact O-N 3.11Å; D284-V288 WeakPolarHBondContact O-CG2 3.33Å; D284-V288 PolarHBondContact O-N 3.05Å; D284-L307 HydrophobicContact CB-CD1 4.08Å; D284-Y308 WeakPolarHBondContact OD2-CE2 3.47Å; D284-Y308 PolarHBondContact OD2-OH 3.15Å; D284-M317 HydrophobicContact CB-CE 4.4Å; D284-M317 HydrophobicContact CB-SD 4.36Å; D284-I320 HydrophobicContact CB-CD1 3.75Å
285S98.5Very high96.2Very high10 Ų1031.8 Ų31.87%0.0717%0.174CC..Hα-helixtrans-49.7-50.6169.71730000111.6R281 E282 I287 V288 Q289R281-S285 WeakPolarHBondContact O-CB 3.39Å; R281-S285 PolarHBondContact O-N 3.02Å; E282-S285 WeakPolarHBondContact O-CB 3.24Å; E282-S285 WeakPolarHBondContact OE1-CB 3.37Å; E282-S285 PolarHBondContact OE1-OG 3.17Å; S285-I287 PolarHBondContact O-N 2.73Å; S285-V288 PolarHBondContact O-N 3.32Å; S285-V288 VanDerWaalsContact O-N 3.16Å; S285-Q289 WeakPolarHBondContact O-CG 3.36Å; S285-Q289 PolarHBondContact O-N 3.34Å
286Q98.6Very high95.8Very high8 Ų828.7 Ų28.74%0.03715%0.154CC..Hα-helixtrans-64.5-35.2178.4-179.664.1104.600113L248 R251 A252 E282 H283 D284 Q289 I290L248-Q286 HydrophobicContact CD1-CB 4.22Å; L248-Q286 HydrophobicContact CD1-CG 3.56Å; R251-Q286 HydrophobicContact CB-CG 4.27Å; R251-Q286 PolarHBondContact O-OE1 2.97Å; A252-Q286 HydrophobicContact CB-CB 3.7Å; A252-Q286 HydrophobicContact CB-CG 4.03Å; A252-Q286 VanDerWaalsContact N-OE1 3.15Å; E282-Q286 WeakPolarHBondContact O-CB 3.47Å; E282-Q286 PolarHBondContact O-N 3.29Å; H283-Q286 PolarHBondContact O-N 3.46Å; D284-Q286 VanDerWaalsContact C-N 3.33Å; D284-Q286 PolarHBondContact O-N 3.4Å; Q286-Q289 PolarHBondContact O-N 2.89Å; Q286-I290 HydrophobicContact CG-CD1 4.17Å; Q286-I290 VanDerWaalsContact O-CG1 3.23Å; Q286-I290 WeakPolarHBondContact O-CG1 3.46Å; Q286-I290 PolarHBondContact O-N 2.75Å
287I98.6Very high95.5Very high0 Ų028.1 Ų28.10%015%0.152CC..Hα-helixtrans-68.2-38.1174.5-60.9173.2000111L183 W184 V187 F194 L248 H283 D284 S285 I290 A291 W303 L307L183-I287 HydrophobicContact CD1-CG2 4.21Å; W184-I287 HydrophobicContact CZ3-CG2 4.34Å; V187-I287 HydrophobicContact CG2-CG2 4.26Å; F194-I287 HydrophobicContact CD2-CD1 4.14Å; L248-I287 HydrophobicContact CD1-CG1 4.19Å; L248-I287 HydrophobicContact CD2-CD1 3.88Å; L248-I287 HydrophobicContact CD2-CG1 3.78Å; H283-I287 VanDerWaalsContact CE1-CD1 3.47Å; H283-I287 WeakPolarHBondContact CE1-CD1 3.35Å; H283-I287 PolarHBondContact O-N 2.88Å; D284-I287 PolarHBondContact O-N 3.19Å; D284-I287 VanDerWaalsContact O-N 3.11Å; S285-I287 PolarHBondContact O-N 2.73Å; I287-I290 PolarHBondContact O-N 3.4Å; I287-A291 PolarHBondContact O-N 3.13Å; I287-A291 VanDerWaalsContact O-N 3.08Å; I287-W303 HydrophobicContact CG2-CH2 3.97Å; I287-W303 HydrophobicContact CG2-CZ3 3.74Å; I287-L307 HydrophobicContact CD1-CD2 3.69Å; I287-L307 HydrophobicContact CG2-CD2 4.31Å
288V98.1Very high95.2Very high3 Ų323.1 Ų23.12%0.01813%0.129CC..Hα-helixtrans-63.9-44.5175177.70000111D284 S285 I290 A291 M292 W303 M317 I320 I321 L324D284-V288 WeakPolarHBondContact O-CG2 3.33Å; D284-V288 PolarHBondContact O-N 3.05Å; S285-V288 PolarHBondContact O-N 3.32Å; S285-V288 VanDerWaalsContact O-N 3.16Å; V288-I290 VanDerWaalsContact C-N 3.35Å; V288-I290 PolarHBondContact O-N 3.49Å; V288-A291 WeakPolarHBondContact O-CB 3.4Å; V288-A291 PolarHBondContact O-N 3.35Å; V288-A291 VanDerWaalsContact O-N 3.13Å; V288-M292 HydrophobicContact CG1-SD 4.08Å; V288-M292 WeakPolarHBondContact O-CG 3.47Å; V288-M292 PolarHBondContact O-N 3.25Å; V288-W303 HydrophobicContact CB-CZ2 4.2Å; V288-W303 HydrophobicContact CG1-CZ2 4.33Å; V288-W303 HydrophobicContact CG2-CD2 4.16Å; V288-W303 HydrophobicContact CG2-CE3 4.46Å; V288-W303 HydrophobicContact CG2-CH2 4.15Å; V288-W303 HydrophobicContact CG2-CZ2 3.83Å; V288-W303 HydrophobicContact CG2-CZ3 4.46Å; V288-M317 HydrophobicContact CG2-CE 3.5Å; V288-M317 VanDerWaalsContact CG2-CE 3.5Å; V288-I320 HydrophobicContact CB-CG2 4.19Å; V288-I320 HydrophobicContact CG2-CG2 3.95Å; V288-I321 HydrophobicContact CG1-CG1 4.01Å; V288-L324 HydrophobicContact CB-CD1 3.84Å; V288-L324 HydrophobicContact CG1-CD1 3.61Å
289Q96.1Very high94.9Very high62 Ų6223.8 Ų23.829%0.2913%0.134SC..Hα-helixtrans-56.5-46.2172.8-69.91726.400111.8S285 Q286 A291 M292 E293 L324S285-Q289 WeakPolarHBondContact O-CG 3.36Å; S285-Q289 PolarHBondContact O-N 3.34Å; Q286-Q289 PolarHBondContact O-N 2.89Å; Q289-A291 PolarHBondContact O-N 3.15Å; Q289-M292 PolarHBondContact O-N 3.41Å; Q289-M292 VanDerWaalsContact O-N 3.08Å; Q289-E293 WeakPolarHBondContact O-CG 3.25Å; Q289-E293 PolarHBondContact O-N 3.28Å; Q289-L324 HydrophobicContact CG-CD1 3.97Å; Q289-L324 HydrophobicContact CG-CD2 3.77Å
290I96.6Very high94.7Very high0 Ų025.1 Ų25.10%014%0.143CC..Hα-helixtrans-61.3-31.9178.1-71.4171.6000112.1A186 V187 L248 Q286 I287 V288 G294A186-I290 HydrophobicContact CB-CG2 4.15Å; V187-I290 HydrophobicContact CG2-CG2 3.76Å; L248-I290 HydrophobicContact CD1-CD1 3.92Å; Q286-I290 HydrophobicContact CG-CD1 4.17Å; Q286-I290 VanDerWaalsContact O-CG1 3.23Å; Q286-I290 WeakPolarHBondContact O-CG1 3.46Å; Q286-I290 PolarHBondContact O-N 2.75Å; I287-I290 PolarHBondContact O-N 3.4Å; V288-I290 VanDerWaalsContact C-N 3.35Å; V288-I290 PolarHBondContact O-N 3.49Å; I290-G294 PolarHBondContact O-N 2.79Å; I290-G294 VanDerWaalsContact O-N 3.13Å
291A94.8Very high94.5Very high1 Ų128.1 Ų28.11%0.00816%0.159CC..Hα-helixtrans-71.1-42.8173.300000112.1L183 I287 V288 Q289 G294 G295 L296 I298 W303L183-A291 HydrophobicContact CD1-CB 3.79Å; I287-A291 PolarHBondContact O-N 3.13Å; I287-A291 VanDerWaalsContact O-N 3.08Å; V288-A291 WeakPolarHBondContact O-CB 3.4Å; V288-A291 PolarHBondContact O-N 3.35Å; V288-A291 VanDerWaalsContact O-N 3.13Å; Q289-A291 PolarHBondContact O-N 3.15Å; A291-G294 CarbonylContact O-C 3.22Å; A291-G294 WeakPolarHBondContact O-CA 3.23Å; A291-G294 PolarHBondContact O-N 3.25Å; A291-G295 PolarHBondContact O-N 2.94Å; A291-L296 HydrophobicContact CB-CB 4.22Å; A291-L296 WeakPolarHBondContact O-CB 3.4Å; A291-L296 PolarHBondContact O-N 2.83Å; A291-I298 HydrophobicContact CB-CD1 4.36Å; A291-W303 HydrophobicContact CB-CH2 3.7Å; A291-W303 HydrophobicContact CB-CZ2 3.64Å
292M90.9Very high94.4Very high34 Ų3429.1 Ų29.117%0.16717%0.167CC..Hα-helixtrans-63.3-48.3175.9-67168.76500111.3V288 Q289 G294 G295 L324V288-M292 HydrophobicContact CG1-SD 4.08Å; V288-M292 WeakPolarHBondContact O-CG 3.47Å; V288-M292 PolarHBondContact O-N 3.25Å; Q289-M292 PolarHBondContact O-N 3.41Å; Q289-M292 VanDerWaalsContact O-N 3.08Å; M292-G294 PolarHBondContact O-N 3.14Å; M292-G294 VanDerWaalsContact O-N 3.12Å; M292-G295 PolarHBondContact O-N 3.11Å; M292-L324 HydrophobicContact SD-CB 4.29Å; M292-L324 HydrophobicContact SD-CD1 4.39Å
293E88.8Confident94.4Very high93 Ų9327 Ų2744%0.43516%0.156SC..THydrogen-bonded Turntrans-56.6-25169.9-67.9175-147.100112.9R190 R251 Q289R190-E293 IonicContact CZ-OE2 3.26Å; R190-E293 IonicContact NE-OE2 3.1Å; R190-E293 PolarHBondContact NE-OE2 3.33Å; R190-E293 IonicContact NH2-OE2 2.75Å; R190-E293 PolarHBondContact NH2-OE2 2.99Å; R251-E293 IonicContact NH2-OE1 2.62Å; R251-E293 IonicContact NH2-OE2 2.72Å; Q289-E293 WeakPolarHBondContact O-CG 3.25Å; Q289-E293 PolarHBondContact O-N 3.28Å
294G87.5Confident94.3Very high37 Ų3727 Ų2738%0.38116%0.156SC..THydrogen-bonded Turntrans-88.53.6177.800000114.9I290 A291 M292 L296I290-G294 PolarHBondContact O-N 2.79Å; I290-G294 VanDerWaalsContact O-N 3.13Å; A291-G294 CarbonylContact O-C 3.22Å; A291-G294 WeakPolarHBondContact O-CA 3.23Å; A291-G294 PolarHBondContact O-N 3.25Å; M292-G294 PolarHBondContact O-N 3.14Å; M292-G294 VanDerWaalsContact O-N 3.12Å; G294-L296 VanDerWaalsContact C-N 3.26Å; G294-L296 PolarHBondContact O-N 3Å
295G86.2Confident94.3Very high31 Ų3130.1 Ų30.132%0.3218%0.178SC..THydrogen-bonded Turntrans70.320.2-175.500000114A291 M292 E336A291-G295 PolarHBondContact O-N 2.94Å; M292-G295 PolarHBondContact O-N 3.11Å; G295-E336 WeakPolarHBondContact CA-OE2 3.42Å
296L90.3Very high94.2Very high16 Ų1631.3 Ų31.38%0.08418%0.184CC..  trans-101.3127-176.3-53.9179.4000110.7L179 N182 L183 A291 G294 I298L179-L296 HydrophobicContact CD1-CB 4.31Å; L179-L296 HydrophobicContact CD1-CD2 4.1Å; N182-L296 HydrophobicContact CB-CD1 4.19Å; N182-L296 HydrophobicContact CB-CD2 4.22Å; L183-L296 HydrophobicContact CB-CD1 4.08Å; A291-L296 HydrophobicContact CB-CB 4.22Å; A291-L296 WeakPolarHBondContact O-CB 3.4Å; A291-L296 PolarHBondContact O-N 2.83Å; G294-L296 VanDerWaalsContact C-N 3.26Å; G294-L296 PolarHBondContact O-N 3Å; L296-I298 HydrophobicContact CB-CD1 4.44Å; L296-I298 HydrophobicContact CB-CG1 4.42Å
297R91.6Very high94.2Very high37 Ų3730.9 Ų30.914%0.1418%0.182CC..  trans-108.1109.8170.4-68.2-66.8-178.6-82.6-0.5108.9I170 L171 Q174 S333 E336I170-R297 HydrophobicContact CG2-CB 4.48Å; I170-R297 HydrophobicContact CG2-CG 3.97Å; L171-R297 HydrophobicContact CD2-CB 3.96Å; L171-R297 HydrophobicContact CG-CB 4.38Å; Q174-R297 PolarHBondContact NE2-O 3.41Å; Q174-R297 PolarHBondContact OE1-O 3.01Å; R297-S333 PolarHBondContact NH2-OG 2.95Å; R297-E336 IonicContact CZ-OE1 2.98Å; R297-E336 IonicContact CZ-OE2 3.35Å; R297-E336 VanDerWaalsContact CZ-OE2 3.23Å; R297-E336 IonicContact NH1-OE1 3.17Å; R297-E336 PolarHBondContact NH1-OE1 3.35Å; R297-E336 IonicContact NH1-OE2 2.79Å; R297-E336 PolarHBondContact NH1-OE2 3.4Å; R297-E336 IonicContact NH2-OE1 3.9Å; R297-E336 PolarHBondContact NH2-OE1 3.47Å; R297-E336 IonicContact NH2-OE2 3.01Å; R297-E336 PolarHBondContact NH2-OE2 3.06Å; R297-E336 VanDerWaalsContact NH2-OE2 3.15Å
298I93.4Very high94.2Very high16 Ų1632.6 Ų32.68%0.08219%0.188CC..  trans-118.9134.3-175.5-60.1176.9000108.2L179 L183 A291 L296 Q302 W303 L306L179-I298 HydrophobicContact CD1-CD1 4.12Å; L179-I298 HydrophobicContact CD1-CG1 3.79Å; L179-I298 HydrophobicContact CD2-CG1 4.09Å; L179-I298 HydrophobicContact CG-CD1 4.28Å; L179-I298 HydrophobicContact CG-CG1 4.01Å; L183-I298 HydrophobicContact CB-CD1 4.33Å; L183-I298 HydrophobicContact CD1-CD1 4.33Å; L183-I298 HydrophobicContact CD2-CD1 4Å; L183-I298 HydrophobicContact CG-CD1 4.45Å; A291-I298 HydrophobicContact CB-CD1 4.36Å; L296-I298 HydrophobicContact CB-CD1 4.44Å; L296-I298 HydrophobicContact CB-CG1 4.42Å; I298-Q302 HydrophobicContact CG2-CB 3.68Å; I298-W303 HydrophobicContact CB-CD2 4.34Å; I298-W303 HydrophobicContact CB-CZ2 3.97Å; I298-W303 HydrophobicContact CD1-CH2 4.07Å; I298-W303 HydrophobicContact CD1-CZ2 3.88Å; I298-W303 HydrophobicContact CG1-CZ2 4.38Å; I298-W303 HydrophobicContact CG2-CD2 3.85Å; I298-W303 HydrophobicContact CG2-CG 3.9Å; I298-W303 HydrophobicContact CG2-CZ2 4.31Å; I298-W303 PolarHBondContact O-NE1 3.45Å; I298-L306 HydrophobicContact CD1-CD1 4.44Å; I298-L306 HydrophobicContact CG2-CD1 4Å
299A91.3Very high94.2Very high38 Ų3835.1 Ų35.131%0.31422%0.215SC..  trans-80.8155.8-175.800000112.7D301 Q302 W303A299-D301 VanDerWaalsContact C-N 3.25Å; A299-D301 WeakPolarHBondContact CB-OD1 3.4Å; A299-D301 PolarHBondContact O-N 3.46Å; A299-Q302 HydrophobicContact CB-CG 4.27Å; A299-Q302 VanDerWaalsContact N-OE1 3.09Å; A299-Q302 WeakPolarHBondContact O-CB 3.25Å; A299-Q302 PolarHBondContact O-N 3.43Å; A299-Q302 VanDerWaalsContact O-N 3.08Å; A299-W303 VanDerWaalsContact O-CD1 3.25Å; A299-W303 PolarHBondContact O-N 3.34Å
300P94.8Very high94.2Very high28 Ų2834.4 Ų34.418%0.18221%0.213CC..Hα-helixtrans-61.1-29.2-174.9-19.728.1000114.7S304 M317 Q318 I321P300-S304 PolarHBondContact O-N 2.78Å; P300-M317 HydrophobicContact CB-CB 4.29Å; P300-Q318 HydrophobicContact CB-CB 4.17Å; P300-Q318 HydrophobicContact CG-CB 4.12Å; P300-Q318 VanDerWaalsContact CG-OE1 3.22Å; P300-I321 HydrophobicContact CB-CD1 4.48Å; P300-I321 HydrophobicContact CG-CD1 4.08Å
301D94.7Very high94.2Very high67 Ų6739 Ų3936%0.35823%0.234SC..Hα-helixtrans-73.9-38.1174.459.8-19.6000112.8A299 W303 S305 Q311 K314A299-D301 VanDerWaalsContact C-N 3.25Å; A299-D301 WeakPolarHBondContact CB-OD1 3.4Å; A299-D301 PolarHBondContact O-N 3.46Å; D301-W303 VanDerWaalsContact C-N 3.35Å; D301-S305 PolarHBondContact O-N 2.85Å; D301-S305 VanDerWaalsContact O-N 3.13Å; D301-Q311 PolarHBondContact O-NE2 2.94Å; D301-K314 HydrophobicContact CB-CD 3.94Å; D301-K314 VanDerWaalsContact CB-CE 3.43Å; D301-K314 HydrophobicContact CB-CG 4.22Å
302Q95.8Very high94.4Very high80 Ų8042.8 Ų42.837%0.37426%0.261SS..Hα-helixtrans-64.6-40.3168.8-62.2176.7-28.700110.9I298 A299 S305 L306I298-Q302 HydrophobicContact CG2-CB 3.68Å; A299-Q302 HydrophobicContact CB-CG 4.27Å; A299-Q302 VanDerWaalsContact N-OE1 3.09Å; A299-Q302 WeakPolarHBondContact O-CB 3.25Å; A299-Q302 PolarHBondContact O-N 3.43Å; A299-Q302 VanDerWaalsContact O-N 3.08Å; Q302-S305 PolarHBondContact O-N 3.04Å; Q302-L306 WeakPolarHBondContact O-CB 3.49Å; Q302-L306 WeakPolarHBondContact O-CD1 3.41Å; Q302-L306 VanDerWaalsContact O-CG 3.23Å; Q302-L306 WeakPolarHBondContact O-CG 3.44Å; Q302-L306 PolarHBondContact O-N 2.97Å
303W98Very high94.7Very high5 Ų543.8 Ų43.82%0.01927%0.265CS..Hα-helixtrans-63.7-44.3175-79.9119.4000113.3L183 I287 V288 A291 I298 A299 D301 S305 L306 L307 M317L183-W303 HydrophobicContact CD1-CH2 3.83Å; L183-W303 HydrophobicContact CD1-CZ3 4.31Å; L183-W303 HydrophobicContact CD2-CH2 4.04Å; L183-W303 HydrophobicContact CD2-CZ3 3.78Å; I287-W303 HydrophobicContact CG2-CH2 3.97Å; I287-W303 HydrophobicContact CG2-CZ3 3.74Å; V288-W303 HydrophobicContact CB-CZ2 4.2Å; V288-W303 HydrophobicContact CG1-CZ2 4.33Å; V288-W303 HydrophobicContact CG2-CD2 4.16Å; V288-W303 HydrophobicContact CG2-CE3 4.46Å; V288-W303 HydrophobicContact CG2-CH2 4.15Å; V288-W303 HydrophobicContact CG2-CZ2 3.83Å; V288-W303 HydrophobicContact CG2-CZ3 4.46Å; A291-W303 HydrophobicContact CB-CH2 3.7Å; A291-W303 HydrophobicContact CB-CZ2 3.64Å; I298-W303 HydrophobicContact CB-CD2 4.34Å; I298-W303 HydrophobicContact CB-CZ2 3.97Å; I298-W303 HydrophobicContact CD1-CH2 4.07Å; I298-W303 HydrophobicContact CD1-CZ2 3.88Å; I298-W303 HydrophobicContact CG1-CZ2 4.38Å; I298-W303 HydrophobicContact CG2-CD2 3.85Å; I298-W303 HydrophobicContact CG2-CG 3.9Å; I298-W303 HydrophobicContact CG2-CZ2 4.31Å; I298-W303 PolarHBondContact O-NE1 3.45Å; A299-W303 VanDerWaalsContact O-CD1 3.25Å; A299-W303 PolarHBondContact O-N 3.34Å; D301-W303 VanDerWaalsContact C-N 3.35Å; W303-S305 VanDerWaalsContact C-N 3.26Å; W303-S305 PolarHBondContact O-N 2.95Å; W303-L306 HydrophobicContact CE3-CD1 4.45Å; W303-L306 PolarHBondContact O-N 3.33Å; W303-L307 HydrophobicContact CE3-CD1 3.69Å; W303-L307 HydrophobicContact CE3-CG 3.98Å; W303-L307 HydrophobicContact CZ3-CD1 4.09Å; W303-L307 HydrophobicContact CZ3-CG 4.36Å; W303-L307 WeakPolarHBondContact O-CB 3.28Å; W303-L307 PolarHBondContact O-N 3.3Å; W303-M317 HydrophobicContact CB-CB 3.87Å; W303-M317 HydrophobicContact CB-CE 3.91Å; W303-M317 HydrophobicContact CB-CG 3.7Å; W303-M317 HydrophobicContact CB-SD 4.39Å; W303-M317 HydrophobicContact CD2-CE 4.22Å; W303-M317 HydrophobicContact CE3-CE 4.46Å; W303-M317 HydrophobicContact CG-CE 4.02Å
304S98Very high95.1Very high0 Ų043.1 Ų43.10%026%0.261CS..Hα-helixtrans-54.4-45.7172-155.40000110.5P300 Y308 G309 D310 H313P300-S304 PolarHBondContact O-N 2.78Å; S304-Y308 CarbonylContact O-C 3.58Å; S304-Y308 WeakPolarHBondContact O-CA 3.27Å; S304-Y308 WeakPolarHBondContact O-CB 3.43Å; S304-Y308 PolarHBondContact O-N 3.42Å; S304-G309 PolarHBondContact O-N 2.78Å; S304-G309 VanDerWaalsContact O-N 3.14Å; S304-D310 CarbonylContact C-O 3.31Å; S304-D310 WeakPolarHBondContact CB-O 3.45Å; S304-D310 PolarHBondContact O-N 3.42Å; S304-D310 PolarHBondContact OG-O 3.1Å; S304-D310 PolarHBondContact OG-OD1 2.58Å; S304-H313 WeakPolarHBondContact OG-CA 3.46Å; S304-H313 PolarHBondContact OG-N 2.93Å
305S97.3Very high95.5Very high66 Ų6645.7 Ų45.746%0.46227%0.273SS..Hα-helixtrans-66.4-39.1177.9-174.30000112.9D301 Q302 W303 G309 D310D301-S305 PolarHBondContact O-N 2.85Å; D301-S305 VanDerWaalsContact O-N 3.13Å; Q302-S305 PolarHBondContact O-N 3.04Å; W303-S305 VanDerWaalsContact C-N 3.26Å; W303-S305 PolarHBondContact O-N 2.95Å; S305-G309 VanDerWaalsContact O-CA 3.25Å; S305-G309 WeakPolarHBondContact O-CA 3.27Å; S305-G309 PolarHBondContact O-N 3.21Å; S305-D310 WeakPolarHBondContact CA-O 3.38Å; S305-D310 PolarHBondContact N-O 3.48Å
306L97.9Very high96.1Very high35 Ų3546 Ų4618%0.18327%0.266CS..Hα-helixtrans-74.5-39.4-178.1-74.2163.7000113.7L183 W184 F194 I298 Q302 W303L183-L306 HydrophobicContact CD2-CD1 3.93Å; W184-L306 HydrophobicContact CZ2-CB 4.27Å; W184-L306 HydrophobicContact CZ2-CD2 4.01Å; F194-L306 VanDerWaalsContact CE1-O 3.24Å; F194-L306 WeakPolarHBondContact CE1-O 3.29Å; I298-L306 HydrophobicContact CD1-CD1 4.44Å; I298-L306 HydrophobicContact CG2-CD1 4Å; Q302-L306 WeakPolarHBondContact O-CB 3.49Å; Q302-L306 WeakPolarHBondContact O-CD1 3.41Å; Q302-L306 VanDerWaalsContact O-CG 3.23Å; Q302-L306 WeakPolarHBondContact O-CG 3.44Å; Q302-L306 PolarHBondContact O-N 2.97Å; W303-L306 HydrophobicContact CE3-CD1 4.45Å; W303-L306 PolarHBondContact O-N 3.33Å
307L98.4Very high96.5Very high0 Ų045.3 Ų45.30%026%0.262CS..Hα-helixtrans-101.5-23.2-172.2-62.9177.8000114.1W184 F194 R280 D284 I287 W303 M317W184-L307 HydrophobicContact CH2-CD2 3.99Å; F194-L307 HydrophobicContact CD2-CD2 4.15Å; F194-L307 HydrophobicContact CE2-CD2 3.93Å; F194-L307 HydrophobicContact CZ-CD2 4.14Å; R280-L307 PolarHBondContact NH2-O 3.42Å; D284-L307 HydrophobicContact CB-CD1 4.08Å; I287-L307 HydrophobicContact CD1-CD2 3.69Å; I287-L307 HydrophobicContact CG2-CD2 4.31Å; W303-L307 HydrophobicContact CE3-CD1 3.69Å; W303-L307 HydrophobicContact CE3-CG 3.98Å; W303-L307 HydrophobicContact CZ3-CD1 4.09Å; W303-L307 HydrophobicContact CZ3-CG 4.36Å; W303-L307 WeakPolarHBondContact O-CB 3.28Å; W303-L307 PolarHBondContact O-N 3.3Å; L307-M317 HydrophobicContact CD1-CE 3.72Å; L307-M317 HydrophobicContact CD1-SD 3.97Å
308Y98.3Very high96.7Very high36 Ų3647.2 Ų47.214%0.14127%0.273CS..THydrogen-bonded Turntrans-122.4-13.6-178.5-63.8-95.7000113P197 R280 D284 S304 D310 H313 M317P197-Y308 VanDerWaalsContact CG-C 3.44Å; R280-Y308 PolarHBondContact NE-OH 2.97Å; R280-Y308 VanDerWaalsContact NH1-CE1 3.28Å; R280-Y308 VanDerWaalsContact NH2-CE2 3.26Å; D284-Y308 WeakPolarHBondContact OD2-CE2 3.47Å; D284-Y308 PolarHBondContact OD2-OH 3.15Å; S304-Y308 CarbonylContact O-C 3.58Å; S304-Y308 WeakPolarHBondContact O-CA 3.27Å; S304-Y308 WeakPolarHBondContact O-CB 3.43Å; S304-Y308 PolarHBondContact O-N 3.42Å; Y308-D310 WeakPolarHBondContact CB-OD1 3.34Å; Y308-D310 PolarHBondContact O-N 3.4Å; Y308-H313 WeakPolarHBondContact CB-ND1 3.3Å; Y308-H313 HydrophobicContact CD1-CB 4.32Å; Y308-H313 AromaticContact CD1-CD2 3.42Å; Y308-H313 VanDerWaalsContact CD1-CD2 3.42Å; Y308-H313 WeakPolarHBondContact CD1-CD2 3.17Å; Y308-H313 AromaticContact CD1-CE1 3.31Å; Y308-H313 WeakPolarHBondContact CD1-CE1 3.28Å; Y308-H313 AromaticContact CD1-CG 3.43Å; Y308-H313 VanDerWaalsContact CD1-CG 3.43Å; Y308-H313 AromaticContact CD1-ND1 3.34Å; Y308-H313 VanDerWaalsContact CD1-ND1 3.34Å; Y308-H313 WeakPolarHBondContact CD1-ND1 3.01Å; Y308-H313 AromaticContact CD1-NE2 3.36Å; Y308-H313 WeakPolarHBondContact CD1-NE2 3.22Å; Y308-H313 HydrophobicContact CD2-CB 3.63Å; Y308-H313 AromaticContact CD2-CG 3.66Å; Y308-H313 HydrophobicContact CE1-CB 4.46Å; Y308-H313 AromaticContact CE1-CD2 3.24Å; Y308-H313 WeakPolarHBondContact CE1-CD2 3.19Å; Y308-H313 AromaticContact CE1-CE1 3.88Å; Y308-H313 AromaticContact CE1-CG 3.66Å; Y308-H313 AromaticContact CE1-NE2 3.41Å; Y308-H313 WeakPolarHBondContact CE1-NE2 3.37Å; Y308-H313 HydrophobicContact CE2-CB 3.84Å; Y308-H313 AromaticContact CE2-CG 3.92Å; Y308-H313 HydrophobicContact CG-CB 3.9Å; Y308-H313 AromaticContact CG-CD2 3.91Å; Y308-H313 AromaticContact CG-CE1 3.81Å; Y308-H313 AromaticContact CG-CG 3.41Å; Y308-H313 VanDerWaalsContact CG-CG 3.41Å; Y308-H313 AromaticContact CG-ND1 3.33Å; Y308-H313 VanDerWaalsContact CG-ND1 3.33Å; Y308-H313 AromaticContact CZ-CD2 3.63Å; Y308-H313 AromaticContact CZ-CG 3.91Å; Y308-M317 HydrophobicContact CE2-SD 4.07Å
309G97.1Very high96.9Very high56 Ų5648.5 Ų48.558%0.57728%0.283SS*.SBendtrans75.26.2-176.200000113.6S304 S305S304-G309 PolarHBondContact O-N 2.78Å; S304-G309 VanDerWaalsContact O-N 3.14Å; S305-G309 VanDerWaalsContact O-CA 3.25Å; S305-G309 WeakPolarHBondContact O-CA 3.27Å; S305-G309 PolarHBondContact O-N 3.21Å
310D97.1Very high97.2Very high46 Ų4646.8 Ų46.825%0.24627%0.269CS..SBendtrans-130.2-167.2-166.488.1-15.7000112.4S304 S305 Y308 S312 H313S304-D310 CarbonylContact C-O 3.31Å; S304-D310 WeakPolarHBondContact CB-O 3.45Å; S304-D310 PolarHBondContact O-N 3.42Å; S304-D310 PolarHBondContact OG-O 3.1Å; S304-D310 PolarHBondContact OG-OD1 2.58Å; S305-D310 WeakPolarHBondContact CA-O 3.38Å; S305-D310 PolarHBondContact N-O 3.48Å; Y308-D310 WeakPolarHBondContact CB-OD1 3.34Å; Y308-D310 PolarHBondContact O-N 3.4Å; D310-S312 PolarHBondContact OD1-N 3.41Å; D310-S312 VanDerWaalsContact OD2-CB 3.26Å; D310-S312 WeakPolarHBondContact OD2-CB 3.26Å; D310-S312 PolarHBondContact OD2-N 3.29Å; D310-S312 PolarHBondContact OD2-OG 3.41Å; D310-H313 VanDerWaalsContact CG-ND1 3.31Å; D310-H313 IonicContact OD1-CG 2.69Å; D310-H313 IonicContact OD1-ND1 3.94Å; D310-H313 PolarHBondContact OD1-ND1 3.46Å; D310-H313 IonicContact OD2-CE1 3.23Å; D310-H313 PolarHBondContact OD2-CE1 3.41Å; D310-H313 IonicContact OD2-ND1 2.72Å; D310-H313 PolarHBondContact OD2-ND1 3.11Å
311Q97Very high97.2Very high96 Ų9647 Ų4745%0.44927%0.268SS..SBendtrans-127.410.5175.4-68.1-67.6-85.600113.6D301 K314D301-Q311 PolarHBondContact O-NE2 2.94Å; Q311-K314 VanDerWaalsContact CD-CE 3.44Å; Q311-K314 WeakPolarHBondContact O-CD 3.36Å; Q311-K314 WeakPolarHBondContact O-CE 3.37Å; Q311-K314 WeakPolarHBondContact O-CG 3.48Å
312S97.6Very high97.1Very high81 Ų8147.6 Ų47.657%0.56627%0.271SS*.SBendtrans-87.1-33.5-177.579.70000113.1D310 K314D310-S312 PolarHBondContact OD1-N 3.41Å; D310-S312 VanDerWaalsContact OD2-CB 3.26Å; D310-S312 WeakPolarHBondContact OD2-CB 3.26Å; D310-S312 PolarHBondContact OD2-N 3.29Å; D310-S312 PolarHBondContact OD2-OG 3.41Å; S312-K314 PolarHBondContact O-N 2.86Å
313H97.9Very high97Very high56 Ų5651.2 Ų51.226%0.25929%0.286SS..THydrogen-bonded Turntrans-76.612.4-176.2-59.283.3000114.5S304 Y308 D310 S315 H316 M317S304-H313 WeakPolarHBondContact OG-CA 3.46Å; S304-H313 PolarHBondContact OG-N 2.93Å; Y308-H313 WeakPolarHBondContact CB-ND1 3.3Å; Y308-H313 HydrophobicContact CD1-CB 4.32Å; Y308-H313 AromaticContact CD1-CD2 3.42Å; Y308-H313 VanDerWaalsContact CD1-CD2 3.42Å; Y308-H313 WeakPolarHBondContact CD1-CD2 3.17Å; Y308-H313 AromaticContact CD1-CE1 3.31Å; Y308-H313 WeakPolarHBondContact CD1-CE1 3.28Å; Y308-H313 AromaticContact CD1-CG 3.43Å; Y308-H313 VanDerWaalsContact CD1-CG 3.43Å; Y308-H313 AromaticContact CD1-ND1 3.34Å; Y308-H313 VanDerWaalsContact CD1-ND1 3.34Å; Y308-H313 WeakPolarHBondContact CD1-ND1 3.01Å; Y308-H313 AromaticContact CD1-NE2 3.36Å; Y308-H313 WeakPolarHBondContact CD1-NE2 3.22Å; Y308-H313 HydrophobicContact CD2-CB 3.63Å; Y308-H313 AromaticContact CD2-CG 3.66Å; Y308-H313 HydrophobicContact CE1-CB 4.46Å; Y308-H313 AromaticContact CE1-CD2 3.24Å; Y308-H313 WeakPolarHBondContact CE1-CD2 3.19Å; Y308-H313 AromaticContact CE1-CE1 3.88Å; Y308-H313 AromaticContact CE1-CG 3.66Å; Y308-H313 AromaticContact CE1-NE2 3.41Å; Y308-H313 WeakPolarHBondContact CE1-NE2 3.37Å; Y308-H313 HydrophobicContact CE2-CB 3.84Å; Y308-H313 AromaticContact CE2-CG 3.92Å; Y308-H313 HydrophobicContact CG-CB 3.9Å; Y308-H313 AromaticContact CG-CD2 3.91Å; Y308-H313 AromaticContact CG-CE1 3.81Å; Y308-H313 AromaticContact CG-CG 3.41Å; Y308-H313 VanDerWaalsContact CG-CG 3.41Å; Y308-H313 AromaticContact CG-ND1 3.33Å; Y308-H313 VanDerWaalsContact CG-ND1 3.33Å; Y308-H313 AromaticContact CZ-CD2 3.63Å; Y308-H313 AromaticContact CZ-CG 3.91Å; D310-H313 VanDerWaalsContact CG-ND1 3.31Å; D310-H313 IonicContact OD1-CG 2.69Å; D310-H313 IonicContact OD1-ND1 3.94Å; D310-H313 PolarHBondContact OD1-ND1 3.46Å; D310-H313 IonicContact OD2-CE1 3.23Å; D310-H313 PolarHBondContact OD2-CE1 3.41Å; D310-H313 IonicContact OD2-ND1 2.72Å; D310-H313 PolarHBondContact OD2-ND1 3.11Å; H313-S315 PolarHBondContact O-N 2.97Å; H313-H316 HydrophobicContact CB-CB 4.48Å; H313-H316 WeakPolarHBondContact O-CB 3.47Å; H313-H316 PolarHBondContact O-N 2.92Å; H313-M317 WeakPolarHBondContact O-CG 3.43Å; H313-M317 PolarHBondContact O-N 3.16Å
314K97.1Very high96.8Very high78 Ų7852.3 Ų52.334%0.33929%0.292SS..Hα-helixtrans-55-45.7-179.7-70.4-176.8-174.3-166.40113.4D301 Q311 S312 M317 Q318D301-K314 HydrophobicContact CB-CD 3.94Å; D301-K314 VanDerWaalsContact CB-CE 3.43Å; D301-K314 HydrophobicContact CB-CG 4.22Å; Q311-K314 VanDerWaalsContact CD-CE 3.44Å; Q311-K314 WeakPolarHBondContact O-CD 3.36Å; Q311-K314 WeakPolarHBondContact O-CE 3.37Å; Q311-K314 WeakPolarHBondContact O-CG 3.48Å; S312-K314 PolarHBondContact O-N 2.86Å; K314-M317 PolarHBondContact O-N 3.39Å; K314-Q318 VanDerWaalsContact O-CB 3.27Å; K314-Q318 WeakPolarHBondContact O-CB 3.45Å; K314-Q318 PolarHBondContact O-N 2.98Å
315S96.9Very high96.4Very high91 Ų9157 Ų5764%0.63631%0.314SS*.Hα-helixtrans-68.9-36.7179.350.50000112.1H313 S319H313-S315 PolarHBondContact O-N 2.97Å; S315-S319 VanDerWaalsContact O-CB 3.23Å; S315-S319 WeakPolarHBondContact O-CB 3.46Å; S315-S319 PolarHBondContact O-N 2.72Å
316H97.8Very high96.1Very high39 Ų3957.3 Ų57.318%0.18131%0.313CS..Hα-helixtrans-62.4-50.2173.1179105.9000110.9R281 H313 S319 I320R281-H316 WeakPolarHBondContact CB-NE2 3.37Å; H313-H316 HydrophobicContact CB-CB 4.48Å; H313-H316 WeakPolarHBondContact O-CB 3.47Å; H313-H316 PolarHBondContact O-N 2.92Å; H316-S319 CarbonylContact O-C 3.56Å; H316-S319 WeakPolarHBondContact O-CB 3.27Å; H316-S319 PolarHBondContact O-N 3.28Å; H316-I320 PolarHBondContact O-N 3.4Å
317M98.2Very high95.6Very high0 Ų059.7 Ų59.70%033%0.331CS..Hα-helixtrans-66.6-39179.4-64.1-51.6-47.300112.7D284 V288 P300 W303 L307 Y308 H313 K314 S319 I320 I321D284-M317 HydrophobicContact CB-CE 4.4Å; D284-M317 HydrophobicContact CB-SD 4.36Å; V288-M317 HydrophobicContact CG2-CE 3.5Å; V288-M317 VanDerWaalsContact CG2-CE 3.5Å; P300-M317 HydrophobicContact CB-CB 4.29Å; W303-M317 HydrophobicContact CB-CB 3.87Å; W303-M317 HydrophobicContact CB-CE 3.91Å; W303-M317 HydrophobicContact CB-CG 3.7Å; W303-M317 HydrophobicContact CB-SD 4.39Å; W303-M317 HydrophobicContact CD2-CE 4.22Å; W303-M317 HydrophobicContact CE3-CE 4.46Å; W303-M317 HydrophobicContact CG-CE 4.02Å; L307-M317 HydrophobicContact CD1-CE 3.72Å; L307-M317 HydrophobicContact CD1-SD 3.97Å; Y308-M317 HydrophobicContact CE2-SD 4.07Å; H313-M317 WeakPolarHBondContact O-CG 3.43Å; H313-M317 PolarHBondContact O-N 3.16Å; K314-M317 PolarHBondContact O-N 3.39Å; M317-S319 VanDerWaalsContact C-N 3.35Å; M317-I320 HydrophobicContact CE-CD1 4.19Å; M317-I320 PolarHBondContact O-N 3.02Å; M317-I320 HydrophobicContact SD-CD1 4.2Å; M317-I321 WeakPolarHBondContact O-CD1 3.18Å; M317-I321 VanDerWaalsContact O-CG1 3.28Å; M317-I321 WeakPolarHBondContact O-CG1 3.29Å; M317-I321 PolarHBondContact O-N 2.87Å
318Q96.1Very high95.2Very high78 Ų7862.7 Ų62.736%0.36436%0.355SS..Hα-helixtrans-58-47.3170.7-177.665.569.900110.6P300 K314 I320 I321 D322P300-Q318 HydrophobicContact CB-CB 4.17Å; P300-Q318 HydrophobicContact CG-CB 4.12Å; P300-Q318 VanDerWaalsContact CG-OE1 3.22Å; K314-Q318 VanDerWaalsContact O-CB 3.27Å; K314-Q318 WeakPolarHBondContact O-CB 3.45Å; K314-Q318 PolarHBondContact O-N 2.98Å; Q318-I320 PolarHBondContact O-N 3.33Å; Q318-I321 PolarHBondContact O-N 3Å; Q318-I321 VanDerWaalsContact O-N 3.14Å; Q318-D322 WeakPolarHBondContact CG-OD2 3.12Å; Q318-D322 PolarHBondContact NE2-OD1 2.94Å; Q318-D322 PolarHBondContact NE2-OD2 3.16Å; Q318-D322 WeakPolarHBondContact O-CB 3.45Å; Q318-D322 VanDerWaalsContact O-CG 3.29Å; Q318-D322 PolarHBondContact O-N 2.99Å
319S97.5Very high95Very high42 Ų4261.4 Ų61.429%0.29435%0.351SS..Hα-helixtrans-65.5-19.1176.3176.50000114.6R281 S315 H316 M317 K323R281-S319 PolarHBondContact NH1-O 3.07Å; R281-S319 PolarHBondContact NH2-OG 2.9Å; S315-S319 VanDerWaalsContact O-CB 3.23Å; S315-S319 WeakPolarHBondContact O-CB 3.46Å; S315-S319 PolarHBondContact O-N 2.72Å; H316-S319 CarbonylContact O-C 3.56Å; H316-S319 WeakPolarHBondContact O-CB 3.27Å; H316-S319 PolarHBondContact O-N 3.28Å; M317-S319 VanDerWaalsContact C-N 3.35Å; S319-K323 WeakPolarHBondContact O-CG 3.45Å
320I97.9Very high94.9Very high2 Ų258.7 Ų58.71%0.0132%0.324CS..Hα-helixtrans-78.5-51.8167.9-73.8174.2000109.5R281 D284 V288 H316 M317 Q318 D322 K323 L324R281-I320 HydrophobicContact CG-CD1 4.32Å; R281-I320 HydrophobicContact CG-CG1 4.32Å; D284-I320 HydrophobicContact CB-CD1 3.75Å; V288-I320 HydrophobicContact CB-CG2 4.19Å; V288-I320 HydrophobicContact CG2-CG2 3.95Å; H316-I320 PolarHBondContact O-N 3.4Å; M317-I320 HydrophobicContact CE-CD1 4.19Å; M317-I320 PolarHBondContact O-N 3.02Å; M317-I320 HydrophobicContact SD-CD1 4.2Å; Q318-I320 PolarHBondContact O-N 3.33Å; I320-D322 VanDerWaalsContact C-N 3.26Å; I320-D322 PolarHBondContact O-N 2.97Å; I320-K323 PolarHBondContact O-N 3.5Å; I320-K323 VanDerWaalsContact O-N 3.07Å; I320-L324 HydrophobicContact CG2-CD1 3.82Å; I320-L324 HydrophobicContact CG2-CG 4.46Å; I320-L324 WeakPolarHBondContact O-CG 3.25Å; I320-L324 PolarHBondContact O-N 2.94Å
321I94.9Very high94.8Very high33 Ų3358.4 Ų58.417%0.16933%0.328CS..Hα-helixtrans-59-36.7-178.6-65.7159.2000112V288 P300 M317 Q318 L324 Q325V288-I321 HydrophobicContact CG1-CG1 4.01Å; P300-I321 HydrophobicContact CB-CD1 4.48Å; P300-I321 HydrophobicContact CG-CD1 4.08Å; M317-I321 WeakPolarHBondContact O-CD1 3.18Å; M317-I321 VanDerWaalsContact O-CG1 3.28Å; M317-I321 WeakPolarHBondContact O-CG1 3.29Å; M317-I321 PolarHBondContact O-N 2.87Å; Q318-I321 PolarHBondContact O-N 3Å; Q318-I321 VanDerWaalsContact O-N 3.14Å; I321-L324 PolarHBondContact O-N 3.29Å; I321-Q325 PolarHBondContact O-N 3.29Å; I321-Q325 PolarHBondContact O-NE2 2.7Å
322D92.6Very high94.5Very high79 Ų7957.5 Ų57.542%0.42232%0.323SS..THydrogen-bonded Turntrans-75.8-27.3177.8-63.2-30.1000113.3Q318 I320 Q325Q318-D322 WeakPolarHBondContact CG-OD2 3.12Å; Q318-D322 PolarHBondContact NE2-OD1 2.94Å; Q318-D322 PolarHBondContact NE2-OD2 3.16Å; Q318-D322 WeakPolarHBondContact O-CB 3.45Å; Q318-D322 VanDerWaalsContact O-CG 3.29Å; Q318-D322 PolarHBondContact O-N 2.99Å; I320-D322 VanDerWaalsContact C-N 3.26Å; I320-D322 PolarHBondContact O-N 2.97Å; D322-Q325 PolarHBondContact OD1-NE2 2.81Å
323K94.4Very high94.3Very high156 Ų15654 Ų5468%0.67830%0.299SS*.THydrogen-bonded Turntrans-78.6-20.9171.6-77-171.5177.8-165.90113.4S319 I320S319-K323 WeakPolarHBondContact O-CG 3.45Å; I320-K323 PolarHBondContact O-N 3.5Å; I320-K323 VanDerWaalsContact O-N 3.07Å
324L92.6Very high94.2Very high29 Ų2951.5 Ų51.515%0.15229%0.288CS..SBendtrans-88.4-5.7175.2-65.9174000113.1V288 Q289 M292 I320 I321V288-L324 HydrophobicContact CB-CD1 3.84Å; V288-L324 HydrophobicContact CG1-CD1 3.61Å; Q289-L324 HydrophobicContact CG-CD1 3.97Å; Q289-L324 HydrophobicContact CG-CD2 3.77Å; M292-L324 HydrophobicContact SD-CB 4.29Å; M292-L324 HydrophobicContact SD-CD1 4.39Å; I320-L324 HydrophobicContact CG2-CD1 3.82Å; I320-L324 HydrophobicContact CG2-CG 4.46Å; I320-L324 WeakPolarHBondContact O-CG 3.25Å; I320-L324 PolarHBondContact O-N 2.94Å; I321-L324 PolarHBondContact O-N 3.29Å
325Q89.3Confident94Very high99 Ų9953.9 Ų53.946%0.46330%0.3SS..  trans-78.3125170.6-80.416070.100110.1I321 D322I321-Q325 PolarHBondContact O-N 3.29Å; I321-Q325 PolarHBondContact O-NE2 2.7Å; D322-Q325 PolarHBondContact OD1-NE2 2.81Å
326T91Very high93.8Very high72 Ų7250.4 Ų50.444%0.44227%0.274SS..  trans-120.2163.5173.169.40000109.2A328 S329T326-A328 PolarHBondContact O-N 3.15Å; T326-A328 VanDerWaalsContact O-N 3.15Å; T326-A328 PolarHBondContact OG1-N 2.92Å; T326-S329 PolarHBondContact N-OG 3.45Å; T326-S329 VanDerWaalsContact O-CB 3.28Å; T326-S329 WeakPolarHBondContact O-CB 3.23Å; T326-S329 PolarHBondContact O-N 3.43Å; T326-S329 PolarHBondContact O-OG 3.31Å; T326-S329 PolarHBondContact OG1-N 3.39Å; T326-S329 PolarHBondContact OG1-OG 3.25Å
327P88.2Confident93.5Very high85 Ų8548.9 Ų48.955%0.55227%0.267SS*.THydrogen-bonded Turntrans-52.5-36.2172.1-28.536.8000113.2R159 S329 P365R159-P327 PolarHBondContact NH2-O 3.18Å; P327-S329 VanDerWaalsContact C-N 3.31Å; P327-S329 PolarHBondContact O-N 2.97Å; P327-P365 HydrophobicContact CB-CG 3.99Å; P327-P365 HydrophobicContact CG-CG 4.2Å
328A90.8Very high93.2Very high63 Ų6349.6 Ų49.652%0.52127%0.271SS..THydrogen-bonded Turntrans-71.9-17.7178.200000114.5T326 F330 A331 Q332T326-A328 PolarHBondContact O-N 3.15Å; T326-A328 VanDerWaalsContact O-N 3.15Å; T326-A328 PolarHBondContact OG1-N 2.92Å; A328-F330 PolarHBondContact O-N 2.72Å; A328-A331 PolarHBondContact O-N 2.88Å; A328-A331 VanDerWaalsContact O-N 3.07Å; A328-Q332 PolarHBondContact O-N 2.66Å
329S92Very high93Very high8 Ų851 Ų516%0.05628%0.28CS..Hα-helixtrans-63.8-23.1-175.7-61.20000113.7T326 P327 S333T326-S329 PolarHBondContact N-OG 3.45Å; T326-S329 VanDerWaalsContact O-CB 3.28Å; T326-S329 WeakPolarHBondContact O-CB 3.23Å; T326-S329 PolarHBondContact O-N 3.43Å; T326-S329 PolarHBondContact O-OG 3.31Å; T326-S329 PolarHBondContact OG1-N 3.39Å; T326-S329 PolarHBondContact OG1-OG 3.25Å; P327-S329 VanDerWaalsContact C-N 3.31Å; P327-S329 PolarHBondContact O-N 2.97Å; S329-S333 WeakPolarHBondContact O-CB 3.17Å; S329-S333 PolarHBondContact O-N 3.11Å; S329-S333 PolarHBondContact O-OG 3.13Å
330F95Very high92.5Very high0 Ų049.6 Ų49.60%027%0.271CS..Hα-helixtrans-68.3-52.3170.1-174.6-175.1000110.6R159 G162 E163 V166 A328 Q332 S333 V334 L357 L360 A361R159-F330 HydrophobicContact CG-CD1 3.91Å; R159-F330 HydrophobicContact CG-CE1 3.97Å; R159-F330 VanDerWaalsContact O-CE1 3.31Å; R159-F330 WeakPolarHBondContact O-CE1 3.28Å; G162-F330 VanDerWaalsContact C-CZ 3.43Å; E163-F330 HydrophobicContact CB-CB 4.37Å; E163-F330 HydrophobicContact CB-CD1 3.77Å; E163-F330 HydrophobicContact CB-CD2 3.88Å; E163-F330 HydrophobicContact CB-CE1 4.04Å; E163-F330 HydrophobicContact CB-CE2 4.17Å; E163-F330 HydrophobicContact CB-CG 3.73Å; E163-F330 HydrophobicContact CB-CZ 4.27Å; E163-F330 HydrophobicContact CG-CB 4.09Å; E163-F330 HydrophobicContact CG-CD1 4.39Å; E163-F330 HydrophobicContact CG-CD2 4.21Å; E163-F330 HydrophobicContact CG-CG 3.97Å; E163-F330 VanDerWaalsContact N-CZ 3.26Å; V166-F330 HydrophobicContact CG2-CE2 3.94Å; A328-F330 PolarHBondContact O-N 2.72Å; F330-Q332 VanDerWaalsContact C-N 3.3Å; F330-Q332 PolarHBondContact O-N 3.35Å; F330-S333 WeakPolarHBondContact O-CA 3.16Å; F330-S333 WeakPolarHBondContact O-CB 3.44Å; F330-S333 PolarHBondContact O-N 3.45Å; F330-V334 HydrophobicContact CD2-CG2 4.04Å; F330-V334 HydrophobicContact CE2-CG2 3.89Å; F330-V334 PolarHBondContact O-N 2.83Å; F330-L357 HydrophobicContact CE2-CD2 4.37Å; F330-L360 VanDerWaalsContact CE1-C 3.47Å; F330-L360 HydrophobicContact CE1-CB 3.82Å; F330-L360 WeakPolarHBondContact CE1-O 3.27Å; F330-L360 HydrophobicContact CZ-CB 3.78Å; F330-A361 HydrophobicContact CB-CB 4.33Å; F330-A361 VanDerWaalsContact CD1-CA 3.45Å; F330-A361 HydrophobicContact CD1-CB 3.83Å; F330-A361 HydrophobicContact CD2-CB 4.19Å; F330-A361 HydrophobicContact CE1-CB 4.05Å; F330-A361 HydrophobicContact CE2-CB 4.37Å; F330-A361 HydrophobicContact CG-CB 3.86Å; F330-A361 HydrophobicContact CZ-CB 4.29Å
331A95Very high92.1Very high40 Ų4049.6 Ų49.633%0.33127%0.271SS..Hα-helixtrans-58.6-40.9177.700000112.2A328 S333 V334 Q335 A361A328-A331 PolarHBondContact O-N 2.88Å; A328-A331 VanDerWaalsContact O-N 3.07Å; A331-S333 PolarHBondContact O-N 3.03Å; A331-V334 WeakPolarHBondContact O-CB 3.41Å; A331-V334 PolarHBondContact O-N 2.93Å; A331-Q335 PolarHBondContact O-N 3.33Å; A331-A361 HydrophobicContact CB-CB 4.16Å
332Q92.6Very high91.9Very high76 Ų7654.4 Ų54.436%0.35529%0.293SS..Hα-helixtrans-58.5-45.7171.1-174.8-177.86.600111.9A328 F330 V334 Q335 E336A328-Q332 PolarHBondContact O-N 2.66Å; F330-Q332 VanDerWaalsContact C-N 3.3Å; F330-Q332 PolarHBondContact O-N 3.35Å; Q332-V334 VanDerWaalsContact C-N 3.27Å; Q332-V334 PolarHBondContact O-N 3.04Å; Q332-Q335 WeakPolarHBondContact O-CB 3.38Å; Q332-Q335 PolarHBondContact O-N 3.2Å; Q332-Q335 VanDerWaalsContact O-N 3.1Å; Q332-E336 PolarHBondContact O-N 3.29Å
333S93.3Very high91.6Very high8 Ų858.7 Ų58.76%0.05630%0.303CS..Hα-helixtrans-62.6-31.2177.8-60.40000112.7V166 R297 S329 F330 A331 E336 L337V166-S333 WeakPolarHBondContact CG1-O 3.46Å; R297-S333 PolarHBondContact NH2-OG 2.95Å; S329-S333 WeakPolarHBondContact O-CB 3.17Å; S329-S333 PolarHBondContact O-N 3.11Å; S329-S333 PolarHBondContact O-OG 3.13Å; F330-S333 WeakPolarHBondContact O-CA 3.16Å; F330-S333 WeakPolarHBondContact O-CB 3.44Å; F330-S333 PolarHBondContact O-N 3.45Å; A331-S333 PolarHBondContact O-N 3.03Å; S333-E336 PolarHBondContact O-N 3.25Å; S333-L337 PolarHBondContact O-N 3.43Å
334V95.2Very high91.2Very high4 Ų454.1 Ų54.12%0.02429%0.288CS..Hα-helixtrans-65.2-42.2173.5-179.80000110.7V166 F330 A331 Q332 L337 T338 R354 L357 E358V166-V334 HydrophobicContact CG2-CG2 4.15Å; F330-V334 HydrophobicContact CD2-CG2 4.04Å; F330-V334 HydrophobicContact CE2-CG2 3.89Å; F330-V334 PolarHBondContact O-N 2.83Å; A331-V334 WeakPolarHBondContact O-CB 3.41Å; A331-V334 PolarHBondContact O-N 2.93Å; Q332-V334 VanDerWaalsContact C-N 3.27Å; Q332-V334 PolarHBondContact O-N 3.04Å; V334-L337 PolarHBondContact O-N 3.24Å; V334-T338 PolarHBondContact O-N 2.79Å; V334-T338 PolarHBondContact O-OG1 3.3Å; V334-R354 HydrophobicContact CG1-CG 4.4Å; V334-L357 HydrophobicContact CG1-CB 4.06Å; V334-L357 HydrophobicContact CG1-CD1 4.44Å; V334-L357 HydrophobicContact CG2-CB 3.83Å; V334-E358 HydrophobicContact CG1-CG 4.32Å
335Q93.1Very high90.9Very high127 Ų12755.8 Ų55.859%0.59331%0.312SS*.Hα-helixtrans-64.7-43.4175.4-62.2175.1-200111.7A331 Q332 L337 T338 I339A331-Q335 PolarHBondContact O-N 3.33Å; Q332-Q335 WeakPolarHBondContact O-CB 3.38Å; Q332-Q335 PolarHBondContact O-N 3.2Å; Q332-Q335 VanDerWaalsContact O-N 3.1Å; Q335-L337 VanDerWaalsContact C-N 3.3Å; Q335-L337 PolarHBondContact O-N 3.32Å; Q335-T338 PolarHBondContact O-N 3.41Å; Q335-I339 WeakPolarHBondContact O-CG1 3.43Å; Q335-I339 PolarHBondContact O-N 3.03Å
336E91.6Very high91Very high19 Ų1952.2 Ų52.29%0.08930%0.296CS..Hα-helixtrans-58.8-40.1173.8-71177.9-117.400112.3I170 G295 R297 Q332 S333 I339 A340I170-E336 HydrophobicContact CD1-CB 4.14Å; G295-E336 WeakPolarHBondContact CA-OE2 3.42Å; R297-E336 IonicContact CZ-OE1 2.98Å; R297-E336 IonicContact CZ-OE2 3.35Å; R297-E336 VanDerWaalsContact CZ-OE2 3.23Å; R297-E336 IonicContact NH1-OE1 3.17Å; R297-E336 PolarHBondContact NH1-OE1 3.35Å; R297-E336 IonicContact NH1-OE2 2.79Å; R297-E336 PolarHBondContact NH1-OE2 3.4Å; R297-E336 IonicContact NH2-OE1 3.9Å; R297-E336 PolarHBondContact NH2-OE1 3.47Å; R297-E336 IonicContact NH2-OE2 3.01Å; R297-E336 PolarHBondContact NH2-OE2 3.06Å; R297-E336 VanDerWaalsContact NH2-OE2 3.15Å; Q332-E336 PolarHBondContact O-N 3.29Å; S333-E336 PolarHBondContact O-N 3.25Å; E336-I339 PolarHBondContact O-N 3.26Å; E336-A340 WeakPolarHBondContact O-CB 3.34Å; E336-A340 PolarHBondContact O-N 3.37Å
337L92.4Very high90.8Very high6 Ų653 Ų533%0.03130%0.303CS..Hα-helixtrans-63.3-46.3173.5175.661.2000111.3V166 L169 I170 S333 V334 Q335 I339 A340 L341 L357V166-L337 HydrophobicContact CG1-CB 4.05Å; V166-L337 HydrophobicContact CG1-CD2 4.2Å; V166-L337 HydrophobicContact CG2-CD2 4.3Å; L169-L337 HydrophobicContact CB-CD1 3.73Å; L169-L337 HydrophobicContact CB-CD2 4.1Å; L169-L337 HydrophobicContact CD1-CD2 3.77Å; I170-L337 HydrophobicContact CD1-CB 4.27Å; I170-L337 HydrophobicContact CG1-CB 3.99Å; I170-L337 HydrophobicContact CG1-CD1 4.13Å; S333-L337 PolarHBondContact O-N 3.43Å; V334-L337 PolarHBondContact O-N 3.24Å; Q335-L337 VanDerWaalsContact C-N 3.3Å; Q335-L337 PolarHBondContact O-N 3.32Å; L337-I339 VanDerWaalsContact C-N 3.3Å; L337-I339 PolarHBondContact O-N 2.7Å; L337-A340 WeakPolarHBondContact O-CB 3.39Å; L337-A340 PolarHBondContact O-N 3.04Å; L337-A340 VanDerWaalsContact O-N 3.1Å; L337-L341 HydrophobicContact CD1-CD1 4.2Å; L337-L341 HydrophobicContact CD1-CD2 4.28Å; L337-L341 HydrophobicContact CD1-CG 3.96Å; L337-L341 HydrophobicContact CG-CD1 4.05Å; L337-L341 HydrophobicContact CG-CG 4.26Å; L337-L341 WeakPolarHBondContact O-CB 3.41Å; L337-L341 VanDerWaalsContact O-CG 3.27Å; L337-L341 WeakPolarHBondContact O-CG 3.44Å; L337-L341 PolarHBondContact O-N 2.77Å; L337-L357 HydrophobicContact CD2-CD1 4.11Å
338T92.6Very high91Very high16 Ų1649.6 Ų49.610%0.09828%0.282CS..Hα-helixtrans-57.2-42.1175.5-68.50000111.9V334 Q335 L341 Q342V334-T338 PolarHBondContact O-N 2.79Å; V334-T338 PolarHBondContact O-OG1 3.3Å; Q335-T338 PolarHBondContact O-N 3.41Å; T338-L341 PolarHBondContact O-N 3.39Å; T338-Q342 WeakPolarHBondContact O-CB 3.39Å; T338-Q342 VanDerWaalsContact O-CG 3.29Å; T338-Q342 WeakPolarHBondContact O-CG 3.42Å; T338-Q342 PolarHBondContact O-N 2.93Å
339I90.6Very high91.1Very high108 Ų10851.2 Ų51.255%0.55428%0.282SS*.Hα-helixtrans-64.2-41.8175.3-64.9164.1000111.2Q335 E336 L337 R343Q335-I339 WeakPolarHBondContact O-CG1 3.43Å; Q335-I339 PolarHBondContact O-N 3.03Å; E336-I339 PolarHBondContact O-N 3.26Å; L337-I339 VanDerWaalsContact C-N 3.3Å; L337-I339 PolarHBondContact O-N 2.7Å; I339-R343 WeakPolarHBondContact O-CB 3.35Å; I339-R343 PolarHBondContact O-N 3.49Å; I339-R343 VanDerWaalsContact O-N 3.1Å
340A88.1Confident91.2Very high12 Ų1251 Ų5110%0.09928%0.28CS..Hα-helixtrans-63.5-41.3176.300000112.3H173 E336 L337 R343 T344H173-A340 HydrophobicContact CB-CB 4.35Å; E336-A340 WeakPolarHBondContact O-CB 3.34Å; E336-A340 PolarHBondContact O-N 3.37Å; L337-A340 WeakPolarHBondContact O-CB 3.39Å; L337-A340 PolarHBondContact O-N 3.04Å; L337-A340 VanDerWaalsContact O-N 3.1Å; A340-R343 PolarHBondContact O-N 2.88Å; A340-T344 PolarHBondContact O-N 2.97Å; A340-T344 PolarHBondContact O-OG1 2.93Å
341L89.9Confident91.1Very high2 Ų253.4 Ų53.41%0.0129%0.293CS..Hα-helixtrans-65.1-46.7177.2-68.9176.3000111.7L337 T338 R343 T344 G345 D346 L350L337-L341 HydrophobicContact CD1-CD1 4.2Å; L337-L341 HydrophobicContact CD1-CD2 4.28Å; L337-L341 HydrophobicContact CD1-CG 3.96Å; L337-L341 HydrophobicContact CG-CD1 4.05Å; L337-L341 HydrophobicContact CG-CG 4.26Å; L337-L341 WeakPolarHBondContact O-CB 3.41Å; L337-L341 VanDerWaalsContact O-CG 3.27Å; L337-L341 WeakPolarHBondContact O-CG 3.44Å; L337-L341 PolarHBondContact O-N 2.77Å; T338-L341 PolarHBondContact O-N 3.39Å; L341-R343 VanDerWaalsContact C-N 3.33Å; L341-R343 PolarHBondContact O-N 3.35Å; L341-T344 CarbonylContact O-C 3.49Å; L341-T344 WeakPolarHBondContact O-CA 3.24Å; L341-T344 PolarHBondContact O-N 3.48Å; L341-T344 PolarHBondContact O-OG1 3.18Å; L341-G345 PolarHBondContact O-N 3.49Å; L341-D346 HydrophobicContact CB-CB 4.16Å; L341-D346 PolarHBondContact O-N 3.49Å; L341-L350 HydrophobicContact CD1-CB 3.64Å; L341-L350 HydrophobicContact CD2-CB 3.82Å; L341-L350 HydrophobicContact CD2-CD1 3.66Å; L341-L350 HydrophobicContact CD2-CG 4.35Å; L341-L350 HydrophobicContact CG-CB 4.41Å
342Q89.9Confident91.2Very high134 Ų13457 Ų5763%0.62630%0.298SS*.Hα-helixtrans-54.5-47174.6-75.8171.7-5.600111.5T338 T344 G345T338-Q342 WeakPolarHBondContact O-CB 3.39Å; T338-Q342 VanDerWaalsContact O-CG 3.29Å; T338-Q342 WeakPolarHBondContact O-CG 3.42Å; T338-Q342 PolarHBondContact O-N 2.93Å; Q342-T344 PolarHBondContact O-N 3.08Å; Q342-T344 VanDerWaalsContact O-N 3.11Å; Q342-G345 PolarHBondContact O-N 3.46Å; Q342-G345 VanDerWaalsContact O-N 3.17Å
343R86.4Confident91.4Very high169 Ų16953.5 Ų53.564%0.63828%0.282SS*.THydrogen-bonded Turntrans-62.1-17.4177.1-172.6177.160.277.37.2113.8H173 I339 A340 L341H173-R343 PolarHBondContact O-NH2 3.03Å; H173-R343 VanDerWaalsContact O-NH2 3.11Å; I339-R343 WeakPolarHBondContact O-CB 3.35Å; I339-R343 PolarHBondContact O-N 3.49Å; I339-R343 VanDerWaalsContact O-N 3.1Å; A340-R343 PolarHBondContact O-N 2.88Å; L341-R343 VanDerWaalsContact C-N 3.33Å; L341-R343 PolarHBondContact O-N 3.35Å
344T85.5Confident91.6Very high59 Ų5958.2 Ų58.236%0.36230%0.298SS..THydrogen-bonded Turntrans-112.1-0.1177.755.20000114.8H173 A340 L341 Q342 D346H173-T344 PolarHBondContact CD2-OG1 2.96Å; A340-T344 PolarHBondContact O-N 2.97Å; A340-T344 PolarHBondContact O-OG1 2.93Å; L341-T344 CarbonylContact O-C 3.49Å; L341-T344 WeakPolarHBondContact O-CA 3.24Å; L341-T344 PolarHBondContact O-N 3.48Å; L341-T344 PolarHBondContact O-OG1 3.18Å; Q342-T344 PolarHBondContact O-N 3.08Å; Q342-T344 VanDerWaalsContact O-N 3.11Å; T344-D346 VanDerWaalsContact C-N 3.32Å
345G87.3Confident91.7Very high64 Ų6462 Ų6266%0.6632%0.323SS*.THydrogen-bonded Turntrans70.920.7-177.900000115.3L341 Q342L341-G345 PolarHBondContact O-N 3.49Å; Q342-G345 PolarHBondContact O-N 3.46Å; Q342-G345 VanDerWaalsContact O-N 3.17Å
346D90.1Very high92Very high24 Ų2458.7 Ų58.713%0.12831%0.307CS..  trans32.162.8179.5-1658.5000116.5L341 T344 A348 N349 L350 N351L341-D346 HydrophobicContact CB-CB 4.16Å; L341-D346 PolarHBondContact O-N 3.49Å; T344-D346 VanDerWaalsContact C-N 3.32Å; D346-A348 PolarHBondContact O-N 2.69Å; D346-N349 PolarHBondContact O-N 3.19Å; D346-N349 VanDerWaalsContact O-N 3.09Å; D346-N349 PolarHBondContact OD1-N 3.45Å; D346-N349 WeakPolarHBondContact OD2-CA 3.43Å; D346-L350 VanDerWaalsContact CG-N 3.28Å; D346-L350 PolarHBondContact OD1-N 2.99Å; D346-L350 PolarHBondContact OD2-N 3.07Å; D346-N351 WeakPolarHBondContact OD2-CB 3.47Å; D346-N351 PolarHBondContact OD2-N 2.63Å; D346-N351 PolarHBondContact OD2-ND2 3.49Å
347P88.1Confident92.3Very high89 Ų8958 Ų5858%0.57830%0.304SS*.THydrogen-bonded Turntrans-68.5-2.1-173.530.1-37.8000114.7H398P347-H398 PolarHBondContact O-CE1 3.11Å; P347-H398 VanDerWaalsContact O-CE1 3.26Å
348A91.1Very high92.6Very high13 Ų1360.9 Ų60.911%0.10732%0.318CS..THydrogen-bonded Turntrans-117.53.8179.100000112.9D346 L350 F394D346-A348 PolarHBondContact O-N 2.69Å; A348-L350 VanDerWaalsContact C-N 3.26Å; A348-L350 HydrophobicContact CB-CG 4.2Å; A348-L350 PolarHBondContact O-N 3.3Å; A348-F394 HydrophobicContact CB-CD2 3.54Å; A348-F394 HydrophobicContact CB-CE2 3.9Å
349N92.9Very high92.8Very high98 Ų9863.3 Ų63.352%0.52433%0.33SS..  trans49.345-173.8-169.110.5000112.6D346 N351 R352D346-N349 PolarHBondContact O-N 3.19Å; D346-N349 VanDerWaalsContact O-N 3.09Å; D346-N349 PolarHBondContact OD1-N 3.45Å; D346-N349 WeakPolarHBondContact OD2-CA 3.43Å; N349-N351 PolarHBondContact O-N 3.44Å; N349-R352 WeakPolarHBondContact O-CB 3.5Å; N349-R352 WeakPolarHBondContact O-CD 3.18Å; N349-R352 WeakPolarHBondContact O-CG 3.45Å; N349-R352 PolarHBondContact O-N 3.31Å; N349-R352 VanDerWaalsContact O-N 3.16Å; N349-R352 PolarHBondContact O-NE 3.33Å
350L94.2Very high93.2Very high3 Ų358.2 Ų58.22%0.01630%0.303CS..G310 helixtrans-65.1-20.9176.4-77.8172.2000112.7L169 L341 D346 A348 R352 L353 F394L169-L350 HydrophobicContact CD1-CD1 4.48Å; L169-L350 HydrophobicContact CD1-CD2 4.17Å; L169-L350 HydrophobicContact CD2-CD1 3.89Å; L169-L350 HydrophobicContact CD2-CD2 4.06Å; L341-L350 HydrophobicContact CD1-CB 3.64Å; L341-L350 HydrophobicContact CD2-CB 3.82Å; L341-L350 HydrophobicContact CD2-CD1 3.66Å; L341-L350 HydrophobicContact CD2-CG 4.35Å; L341-L350 HydrophobicContact CG-CB 4.41Å; D346-L350 VanDerWaalsContact CG-N 3.28Å; D346-L350 PolarHBondContact OD1-N 2.99Å; D346-L350 PolarHBondContact OD2-N 3.07Å; A348-L350 VanDerWaalsContact C-N 3.26Å; A348-L350 HydrophobicContact CB-CG 4.2Å; A348-L350 PolarHBondContact O-N 3.3Å; L350-R352 PolarHBondContact O-N 2.95Å; L350-R352 VanDerWaalsContact O-N 3.13Å; L350-L353 HydrophobicContact CD2-CD1 3.67Å; L350-L353 HydrophobicContact CD2-CG 4.48Å; L350-L353 VanDerWaalsContact O-CB 3.31Å; L350-L353 WeakPolarHBondContact O-CB 3.45Å; L350-L353 WeakPolarHBondContact O-CG 3.39Å; L350-L353 PolarHBondContact O-N 3.12Å; L350-F394 HydrophobicContact CD1-CD2 3.47Å; L350-F394 VanDerWaalsContact CD1-CD2 3.47Å; L350-F394 HydrophobicContact CD1-CE2 3.66Å; L350-F394 HydrophobicContact CD1-CG 3.97Å; L350-F394 HydrophobicContact CD1-CZ 4.33Å; L350-F394 HydrophobicContact CD2-CB 4.18Å; L350-F394 HydrophobicContact CD2-CD2 4.29Å; L350-F394 HydrophobicContact CD2-CG 4.41Å; L350-F394 HydrophobicContact CG-CD2 4Å
351N94Very high93.6Very high51 Ų5158.1 Ų58.127%0.27330%0.302SS..G310 helixtrans-58.6-21171.1-78.5-76.4000112.9D346 N349 L353 R354D346-N351 WeakPolarHBondContact OD2-CB 3.47Å; D346-N351 PolarHBondContact OD2-N 2.63Å; D346-N351 PolarHBondContact OD2-ND2 3.49Å; N349-N351 PolarHBondContact O-N 3.44Å; N351-L353 PolarHBondContact O-N 3.03Å; N351-L353 VanDerWaalsContact O-N 3.15Å; N351-R354 WeakPolarHBondContact O-CB 3.24Å; N351-R354 PolarHBondContact O-N 2.89Å
352R95.9Very high93.9Very high114 Ų11464.4 Ų64.443%0.4334%0.336SS..G310 helixtrans-58.8-22.5169.881-164156.2151.90113.7N349 L350 R354 H356 D393N349-R352 WeakPolarHBondContact O-CB 3.5Å; N349-R352 WeakPolarHBondContact O-CD 3.18Å; N349-R352 WeakPolarHBondContact O-CG 3.45Å; N349-R352 PolarHBondContact O-N 3.31Å; N349-R352 VanDerWaalsContact O-N 3.16Å; N349-R352 PolarHBondContact O-NE 3.33Å; L350-R352 PolarHBondContact O-N 2.95Å; L350-R352 VanDerWaalsContact O-N 3.13Å; R352-R354 VanDerWaalsContact C-N 3.34Å; R352-H356 PolarHBondContact O-ND1 2.89Å; R352-D393 IonicContact CZ-OD2 3.43Å; R352-D393 IonicContact NH1-OD2 2.69Å; R352-D393 IonicContact NH2-OD2 3.82Å; R352-D393 PolarHBondContact NH2-OD2 3.13Å
353L97.3Very high94.2Very high4 Ų459 Ų592%0.02131%0.311CS..G310 helixtrans-80.3-16177-54.4-177.8000112.6L169 L350 N351 H356 L357 T386L169-L353 HydrophobicContact CD1-CD1 4.25Å; L350-L353 HydrophobicContact CD2-CD1 3.67Å; L350-L353 HydrophobicContact CD2-CG 4.48Å; L350-L353 VanDerWaalsContact O-CB 3.31Å; L350-L353 WeakPolarHBondContact O-CB 3.45Å; L350-L353 WeakPolarHBondContact O-CG 3.39Å; L350-L353 PolarHBondContact O-N 3.12Å; N351-L353 PolarHBondContact O-N 3.03Å; N351-L353 VanDerWaalsContact O-N 3.15Å; L353-H356 WeakPolarHBondContact O-CB 3.47Å; L353-H356 PolarHBondContact O-N 2.8Å; L353-H356 VanDerWaalsContact O-N 3.13Å; L353-L357 HydrophobicContact CB-CD1 4.15Å; L353-L357 HydrophobicContact CB-CG 4.41Å; L353-L357 WeakPolarHBondContact O-CG 3.46Å; L353-L357 PolarHBondContact O-N 3.04Å; L353-T386 HydrophobicContact CD2-CG2 4.07Å
354R97.2Very high94.6Very high107 Ų10754.5 Ų54.540%0.40430%0.3SS..Hα-helixtrans-55.2-47.9-170.2178.2177.7169.1-177-2.9114.3V334 N351 R352 H356 L357 E358V334-R354 HydrophobicContact CG1-CG 4.4Å; N351-R354 WeakPolarHBondContact O-CB 3.24Å; N351-R354 PolarHBondContact O-N 2.89Å; R352-R354 VanDerWaalsContact C-N 3.34Å; R354-H356 VanDerWaalsContact C-N 3.28Å; R354-H356 PolarHBondContact O-N 3.43Å; R354-L357 WeakPolarHBondContact O-CB 3.35Å; R354-L357 PolarHBondContact O-N 3.46Å; R354-L357 VanDerWaalsContact O-N 3.11Å; R354-E358 HydrophobicContact CG-CG 4.26Å; R354-E358 IonicContact CZ-OE1 2.72Å; R354-E358 IonicContact NE-OE1 3.65Å; R354-E358 PolarHBondContact NE-OE1 3Å; R354-E358 IonicContact NE-OE2 2.77Å; R354-E358 IonicContact NH2-OE1 3.41Å; R354-E358 PolarHBondContact NH2-OE1 3.08Å; R354-E358 WeakPolarHBondContact O-CG 3.31Å; R354-E358 PolarHBondContact O-N 3.37Å
355P98.1Very high94.9Very high82 Ų8254 Ų5453%0.53230%0.298SS..Hα-helixtrans-63-35.3179.7-23.134.9000112.9L359P355-L359 WeakPolarHBondContact O-CB 3.06Å; P355-L359 PolarHBondContact O-N 3.12Å
356H98.4Very high95Very high59 Ų5952.5 Ų52.527%0.27328%0.277SS..Hα-helixtrans-68.1-39.1175.7-52.294.2000111.3R352 L353 R354 L360 A383 V387R352-H356 PolarHBondContact O-ND1 2.89Å; L353-H356 WeakPolarHBondContact O-CB 3.47Å; L353-H356 PolarHBondContact O-N 2.8Å; L353-H356 VanDerWaalsContact O-N 3.13Å; R354-H356 VanDerWaalsContact C-N 3.28Å; R354-H356 PolarHBondContact O-N 3.43Å; H356-L360 VanDerWaalsContact O-CG 3.25Å; H356-L360 WeakPolarHBondContact O-CG 3.27Å; H356-L360 PolarHBondContact O-N 3.02Å; H356-A383 HydrophobicContact CB-CB 3.99Å; H356-V387 HydrophobicContact CB-CG2 3.69Å
357L98.3Very high94.9Very high4 Ų456.1 Ų56.12%0.02130%0.302CS..Hα-helixtrans-68.7-40.2175.7-70.9173.5000112.6V166 F330 V334 L337 L353 R354 L360 A361 V387V166-L357 HydrophobicContact CG2-CD1 3.79Å; V166-L357 HydrophobicContact CG2-CD2 3.48Å; V166-L357 VanDerWaalsContact CG2-CD2 3.48Å; V166-L357 HydrophobicContact CG2-CG 4.19Å; F330-L357 HydrophobicContact CE2-CD2 4.37Å; V334-L357 HydrophobicContact CG1-CB 4.06Å; V334-L357 HydrophobicContact CG1-CD1 4.44Å; V334-L357 HydrophobicContact CG2-CB 3.83Å; L337-L357 HydrophobicContact CD2-CD1 4.11Å; L353-L357 HydrophobicContact CB-CD1 4.15Å; L353-L357 HydrophobicContact CB-CG 4.41Å; L353-L357 WeakPolarHBondContact O-CG 3.46Å; L353-L357 PolarHBondContact O-N 3.04Å; R354-L357 WeakPolarHBondContact O-CB 3.35Å; R354-L357 PolarHBondContact O-N 3.46Å; R354-L357 VanDerWaalsContact O-N 3.11Å; L357-L360 PolarHBondContact O-N 3.07Å; L357-A361 WeakPolarHBondContact O-CB 3.49Å; L357-A361 PolarHBondContact O-N 3.31Å; L357-V387 HydrophobicContact CD2-CB 4.32Å; L357-V387 HydrophobicContact CD2-CG1 3.58Å; L357-V387 HydrophobicContact CD2-CG2 3.69Å; L357-V387 HydrophobicContact CG-CG2 3.92Å
358E97.9Very high94.9Very high67 Ų6758.9 Ų58.931%0.31331%0.312SS..Hα-helixtrans-65.7-41.7175.2-71.8170149.600110.9V334 R354 A361 N362V334-E358 HydrophobicContact CG1-CG 4.32Å; R354-E358 HydrophobicContact CG-CG 4.26Å; R354-E358 IonicContact CZ-OE1 2.72Å; R354-E358 IonicContact NE-OE1 3.65Å; R354-E358 PolarHBondContact NE-OE1 3Å; R354-E358 IonicContact NE-OE2 2.77Å; R354-E358 IonicContact NH2-OE1 3.41Å; R354-E358 PolarHBondContact NH2-OE1 3.08Å; R354-E358 WeakPolarHBondContact O-CG 3.31Å; R354-E358 PolarHBondContact O-N 3.37Å; E358-A361 PolarHBondContact O-N 3.38Å; E358-N362 VanDerWaalsContact O-CG 3.22Å; E358-N362 PolarHBondContact O-N 3.49Å; E358-N362 VanDerWaalsContact O-N 3.1Å; E358-N362 PolarHBondContact O-ND2 3.22Å
359L98.1Very high94.9Very high67 Ų6759.1 Ų59.135%0.35131%0.314SS..Hα-helixtrans-59.5-46.7172.4-172.9151.4000112P355 A361 N362 K379 A383P355-L359 WeakPolarHBondContact O-CB 3.06Å; P355-L359 PolarHBondContact O-N 3.12Å; L359-A361 VanDerWaalsContact C-N 3.34Å; L359-A361 PolarHBondContact O-N 2.95Å; L359-N362 PolarHBondContact O-N 2.9Å; L359-K379 HydrophobicContact CD1-CB 4.17Å; L359-A383 HydrophobicContact CD2-CB 4.01Å
360L98.3Very high95Very high0 Ų059.5 Ų59.50%032%0.322CS..Hα-helixtrans-66-33.9177.4-70.5171.6000112.7A158 R159 F330 H356 L357 N362 I363 A383 V384 V387A158-L360 HydrophobicContact CB-CD2 4.1Å; R159-L360 WeakPolarHBondContact CG-O 3.43Å; F330-L360 VanDerWaalsContact CE1-C 3.47Å; F330-L360 HydrophobicContact CE1-CB 3.82Å; F330-L360 WeakPolarHBondContact CE1-O 3.27Å; F330-L360 HydrophobicContact CZ-CB 3.78Å; H356-L360 VanDerWaalsContact O-CG 3.25Å; H356-L360 WeakPolarHBondContact O-CG 3.27Å; H356-L360 PolarHBondContact O-N 3.02Å; L357-L360 PolarHBondContact O-N 3.07Å; L360-N362 VanDerWaalsContact C-N 3.34Å; L360-I363 HydrophobicContact CD2-CD1 3.84Å; L360-I363 WeakPolarHBondContact O-CB 3.2Å; L360-I363 PolarHBondContact O-N 3.17Å; L360-A383 HydrophobicContact CD1-CB 4.27Å; L360-A383 HydrophobicContact CD2-CB 4.12Å; L360-A383 HydrophobicContact CG-CB 3.91Å; L360-V384 HydrophobicContact CD1-CB 4.11Å; L360-V384 HydrophobicContact CD2-CB 4.15Å; L360-V387 HydrophobicContact CD1-CB 4.39Å; L360-V387 HydrophobicContact CD1-CG2 4.11Å
361A97.3Very high95Very high10 Ų1062.2 Ų62.28%0.08334%0.339CS..Hα-helixtrans-69.6-32.7178.600000112.9R159 F330 A331 L357 E358 L359 I363R159-A361 PolarHBondContact NH2-O 3.47Å; F330-A361 HydrophobicContact CB-CB 4.33Å; F330-A361 VanDerWaalsContact CD1-CA 3.45Å; F330-A361 HydrophobicContact CD1-CB 3.83Å; F330-A361 HydrophobicContact CD2-CB 4.19Å; F330-A361 HydrophobicContact CE1-CB 4.05Å; F330-A361 HydrophobicContact CE2-CB 4.37Å; F330-A361 HydrophobicContact CG-CB 3.86Å; F330-A361 HydrophobicContact CZ-CB 4.29Å; A331-A361 HydrophobicContact CB-CB 4.16Å; L357-A361 WeakPolarHBondContact O-CB 3.49Å; L357-A361 PolarHBondContact O-N 3.31Å; E358-A361 PolarHBondContact O-N 3.38Å; L359-A361 VanDerWaalsContact C-N 3.34Å; L359-A361 PolarHBondContact O-N 2.95Å; A361-I363 VanDerWaalsContact C-N 3.26Å; A361-I363 PolarHBondContact O-N 2.97Å
362N96.6Very high95.1Very high134 Ų13460.5 Ų60.572%0.71733%0.331SS*.THydrogen-bonded Turntrans-76.4-5.3177-67.8-17.7000114E358 L359 L360 D364E358-N362 VanDerWaalsContact O-CG 3.22Å; E358-N362 PolarHBondContact O-N 3.49Å; E358-N362 VanDerWaalsContact O-N 3.1Å; E358-N362 PolarHBondContact O-ND2 3.22Å; L359-N362 PolarHBondContact O-N 2.9Å; L360-N362 VanDerWaalsContact C-N 3.34Å; N362-D364 PolarHBondContact O-N 3.49Å
363I96.2Very high95.1Very high20 Ų2058.3 Ų58.310%0.10333%0.331CS..SBendtrans-67127.1168.4-60.9174.8000108.4M155 R159 L360 A361 P365M155-I363 HydrophobicContact CB-CG2 4.17Å; M155-I363 HydrophobicContact CE-CD1 3.69Å; M155-I363 HydrophobicContact CE-CG1 3.99Å; M155-I363 HydrophobicContact SD-CD1 4.31Å; R159-I363 HydrophobicContact CB-CB 4.2Å; R159-I363 HydrophobicContact CB-CD1 4.32Å; R159-I363 HydrophobicContact CB-CG2 4.26Å; R159-I363 WeakPolarHBondContact CD-O 3.42Å; R159-I363 HydrophobicContact CG-CB 4.4Å; R159-I363 PolarHBondContact NE-O 3.42Å; L360-I363 HydrophobicContact CD2-CD1 3.84Å; L360-I363 WeakPolarHBondContact O-CB 3.2Å; L360-I363 PolarHBondContact O-N 3.17Å; A361-I363 VanDerWaalsContact C-N 3.26Å; A361-I363 PolarHBondContact O-N 2.97Å; I363-P365 WeakPolarHBondContact O-CD 3.41Å
364D92.9Very high95.1Very high75 Ų7560 Ų6040%0.40134%0.336SS..  trans-66.8122.2173.2-177.28.8000110.6N362 S366 A369N362-D364 PolarHBondContact O-N 3.49Å; D364-S366 VanDerWaalsContact C-N 3.29Å; D364-S366 VanDerWaalsContact CG-OG 3.24Å; D364-S366 WeakPolarHBondContact OD1-CB 3.1Å; D364-S366 PolarHBondContact OD1-N 3.02Å; D364-S366 PolarHBondContact OD1-OG 3.26Å; D364-S366 WeakPolarHBondContact OD2-CB 3.43Å; D364-S366 PolarHBondContact OD2-OG 3.49Å; D364-A369 HydrophobicContact CB-CB 3.99Å; D364-A369 WeakPolarHBondContact OD2-CB 3.28Å
365P92.6Very high95Very high50 Ų5059.7 Ų59.733%0.32534%0.34SS..  trans-76.6-10.2174.332.2-36000114.2P327 I363P327-P365 HydrophobicContact CB-CG 3.99Å; P327-P365 HydrophobicContact CG-CG 4.2Å; I363-P365 WeakPolarHBondContact O-CD 3.41Å
366S90.6Very high95Very high31 Ų3160.4 Ų60.422%0.21734%0.336CS..  trans-60.8153.4-170.481.50000113.2R156 D364 D368 A369R156-S366 PolarHBondContact NE-O 2.82Å; R156-S366 PolarHBondContact NH2-O 3.08Å; D364-S366 VanDerWaalsContact C-N 3.29Å; D364-S366 VanDerWaalsContact CG-OG 3.24Å; D364-S366 WeakPolarHBondContact OD1-CB 3.1Å; D364-S366 PolarHBondContact OD1-N 3.02Å; D364-S366 PolarHBondContact OD1-OG 3.26Å; D364-S366 WeakPolarHBondContact OD2-CB 3.43Å; D364-S366 PolarHBondContact OD2-OG 3.49Å; S366-D368 VanDerWaalsContact C-N 3.26Å; S366-A369 WeakPolarHBondContact OG-CA 3.47Å; S366-A369 WeakPolarHBondContact OG-CB 3.32Å; S366-A369 PolarHBondContact OG-N 3.22Å
367P87.4Confident95Very high100 Ų10057.6 Ų57.665%0.64932%0.323SS*.THydrogen-bonded Turntrans-68.2-29.1173.127.3-30.2000112R156R156-P367 VanDerWaalsContact NH2-CA 3.29Å; R156-P367 PolarHBondContact NH2-O 3.27Å
368D88.2Confident95Very high147 Ų14759.6 Ų59.679%0.78633%0.332SS*.THydrogen-bonded Turntrans-91.91.7-174.5-41.7-69.3000113.5S366S366-D368 VanDerWaalsContact C-N 3.26Å
369A90.8Very high95Very high18 Ų1861.2 Ų61.215%0.14934%0.338CS..PPolyproline II helixtrans-53.7136.517700000111.4D364 S366D364-A369 HydrophobicContact CB-CB 3.99Å; D364-A369 WeakPolarHBondContact OD2-CB 3.28Å; S366-A369 WeakPolarHBondContact OG-CA 3.47Å; S366-A369 WeakPolarHBondContact OG-CB 3.32Å; S366-A369 PolarHBondContact OG-N 3.22Å
370P93.9Very high95Very high107 Ų10758 Ų5870%0.69532%0.322SS*.PPolyproline II helixtrans-61.9151.1178.526.9-35000111.4
371P94.2Very high95Very high59 Ų5958 Ų5838%0.38332%0.322SS..PPolyproline II helixtrans-61.9136.6179.127.1-35.5000111.1E148 V152E148-P371 VanDerWaalsContact CD-CB 3.47Å; E148-P371 HydrophobicContact CG-CB 3.44Å; E148-P371 VanDerWaalsContact CG-CB 3.44Å; E148-P371 HydrophobicContact CG-CG 4.26Å; V152-P371 HydrophobicContact CG2-CB 4.13Å
372P96.6Very high95.1Very high15 Ų1559.8 Ų59.810%0.09733%0.331CS..PPolyproline II helixtrans-69.7141.6-178.631-36.9000110.6R151 M155 Q376R151-P372 HydrophobicContact CB-CG 3.82Å; M155-P372 HydrophobicContact CG-CB 3.88Å; M155-P372 HydrophobicContact CG-CG 3.75Å; P372-Q376 HydrophobicContact CB-CB 4.15Å
373T96.7Very high95.2Very high69 Ų6953.5 Ų53.542%0.42330%0.298SS..PPolyproline II helixtrans-64.3160.5166.572.20000110.2E375 Q376 L377T373-E375 VanDerWaalsContact C-N 3.27Å; T373-E375 PolarHBondContact O-N 3.16Å; T373-Q376 WeakPolarHBondContact O-CB 3.5Å; T373-Q376 PolarHBondContact O-N 2.94Å; T373-Q376 VanDerWaalsContact O-N 3.12Å; T373-Q376 VanDerWaalsContact OG1-CG 3.28Å; T373-Q376 WeakPolarHBondContact OG1-CG 3.22Å; T373-Q376 PolarHBondContact OG1-N 2.85Å; T373-Q376 VanDerWaalsContact OG1-N 3.16Å; T373-L377 PolarHBondContact O-N 3.06Å
374W96.4Very high95.3Very high38 Ų3852.6 Ų52.614%0.14429%0.293CS..Hα-helixtrans-59.5-38.4177.1-67.5107.5000112.7I87 D92 N95 Y96 L145 L377 E378I87-W374 HydrophobicContact CD1-CH2 3.87Å; I87-W374 HydrophobicContact CD1-CZ2 4.25Å; I87-W374 HydrophobicContact CD1-CZ3 4.39Å; I87-W374 HydrophobicContact CG1-CH2 4.3Å; I87-W374 HydrophobicContact CG1-CZ2 4.26Å; D92-W374 HydrophobicContact CB-CB 4.31Å; D92-W374 HydrophobicContact CB-CD2 4.25Å; D92-W374 HydrophobicContact CB-CG 3.8Å; D92-W374 WeakPolarHBondContact OD1-CB 3.34Å; N95-W374 HydrophobicContact CB-CB 3.79Å; Y96-W374 HydrophobicContact CD2-CH2 4.38Å; Y96-W374 AromaticContact CD2-CZ3 3.93Å; Y96-W374 HydrophobicContact CD2-CZ3 3.93Å; Y96-W374 HydrophobicContact CG-CZ3 4.33Å; L145-W374 WeakPolarHBondContact O-CH2 3.35Å; W374-L377 HydrophobicContact CE3-CD2 3.97Å; W374-L377 HydrophobicContact CZ3-CD2 4.07Å; W374-L377 WeakPolarHBondContact O-CB 3.29Å; W374-L377 PolarHBondContact O-N 3.25Å; W374-E378 PolarHBondContact O-N 3.32Å
375E96.6Very high95.6Very high101 Ų10151.3 Ų51.347%0.47228%0.284SS..Hα-helixtrans-63.1-41.6173.3-170.8-159.4-174.300112.3T373 E378 K379T373-E375 VanDerWaalsContact C-N 3.27Å; T373-E375 PolarHBondContact O-N 3.16Å; E375-E378 PolarHBondContact O-N 3Å; E375-K379 HydrophobicContact CG-CD 4.15Å; E375-K379 WeakPolarHBondContact O-CB 3.28Å; E375-K379 VanDerWaalsContact O-CG 3.3Å; E375-K379 WeakPolarHBondContact O-CG 3.07Å; E375-K379 PolarHBondContact O-N 3.13Å; E375-K379 WeakPolarHBondContact OE1-CE 3.4Å; E375-K379 IonicContact OE1-NZ 2.89Å; E375-K379 PolarHBondContact OE1-NZ 3.01Å
376Q97.7Very high95.9Very high98 Ų9851.1 Ų51.146%0.45828%0.282SS..Hα-helixtrans-66.4-39.2175.6-73.4168.9-9.900111.7M155 P372 T373 G380M155-Q376 VanDerWaalsContact CE-O 3.27Å; M155-Q376 WeakPolarHBondContact CE-O 3.44Å; P372-Q376 HydrophobicContact CB-CB 4.15Å; T373-Q376 WeakPolarHBondContact O-CB 3.5Å; T373-Q376 PolarHBondContact O-N 2.94Å; T373-Q376 VanDerWaalsContact O-N 3.12Å; T373-Q376 VanDerWaalsContact OG1-CG 3.28Å; T373-Q376 WeakPolarHBondContact OG1-CG 3.22Å; T373-Q376 PolarHBondContact OG1-N 2.85Å; T373-Q376 VanDerWaalsContact OG1-N 3.16Å; Q376-G380 PolarHBondContact O-N 3.08Å
377L98.1Very high96.2Very high0 Ų049.7 Ų49.70%027%0.272CS..Hα-helixtrans-62.3-48.2175-177.573000111.2A99 L145 R151 A154 M155 T373 W374 G380 L381A99-L377 HydrophobicContact CB-CD2 4.07Å; A99-L377 HydrophobicContact CB-CG 4.2Å; L145-L377 HydrophobicContact CD2-CD1 4.4Å; R151-L377 HydrophobicContact CB-CD1 4.2Å; R151-L377 HydrophobicContact CB-CD2 4.49Å; R151-L377 HydrophobicContact CG-CD1 4.43Å; R151-L377 HydrophobicContact CG-CD2 3.86Å; A154-L377 HydrophobicContact CB-CD1 4.14Å; M155-L377 HydrophobicContact CG-CD1 4.19Å; M155-L377 HydrophobicContact SD-CD1 4.25Å; T373-L377 PolarHBondContact O-N 3.06Å; W374-L377 HydrophobicContact CE3-CD2 3.97Å; W374-L377 HydrophobicContact CZ3-CD2 4.07Å; W374-L377 WeakPolarHBondContact O-CB 3.29Å; W374-L377 PolarHBondContact O-N 3.25Å; L377-G380 PolarHBondContact O-N 3.13Å; L377-L381 HydrophobicContact CD1-CD1 3.83Å; L377-L381 HydrophobicContact CD1-CG 4.38Å; L377-L381 HydrophobicContact CG-CD1 3.88Å; L377-L381 WeakPolarHBondContact O-CB 3.41Å; L377-L381 VanDerWaalsContact O-CG 3.31Å; L377-L381 WeakPolarHBondContact O-CG 3.4Å; L377-L381 PolarHBondContact O-N 3.43Å
378E98Very high96.7Very high45 Ų4545 Ų4521%0.2124%0.241CC..Hα-helixtrans-57.5-55.5175.6-172.3-165.6132.900110.4N95 V98 W374 E375 G380 L381 V382N95-E378 PolarHBondContact OD1-OE2 2.81Å; V98-E378 HydrophobicContact CB-CG 3.84Å; V98-E378 HydrophobicContact CG1-CG 3.55Å; W374-E378 PolarHBondContact O-N 3.32Å; E375-E378 PolarHBondContact O-N 3Å; E378-G380 VanDerWaalsContact C-N 3.28Å; E378-G380 PolarHBondContact O-N 3.05Å; E378-L381 PolarHBondContact O-N 3.47Å; E378-V382 HydrophobicContact CG-CG2 4.04Å; E378-V382 WeakPolarHBondContact O-CB 3.38Å; E378-V382 WeakPolarHBondContact O-CG2 3.23Å; E378-V382 PolarHBondContact O-N 2.96Å
379K98.3Very high97.1Very high102 Ų10240.8 Ų40.844%0.44322%0.217SC..Hα-helixtrans-58.7-39.2-177.3-73.7173.9175177.90112.3L359 E375 A383L359-K379 HydrophobicContact CD1-CB 4.17Å; E375-K379 HydrophobicContact CG-CD 4.15Å; E375-K379 WeakPolarHBondContact O-CB 3.28Å; E375-K379 VanDerWaalsContact O-CG 3.3Å; E375-K379 WeakPolarHBondContact O-CG 3.07Å; E375-K379 PolarHBondContact O-N 3.13Å; E375-K379 WeakPolarHBondContact OE1-CE 3.4Å; E375-K379 IonicContact OE1-NZ 2.89Å; E375-K379 PolarHBondContact OE1-NZ 3.01Å; K379-A383 WeakPolarHBondContact O-CB 3.4Å; K379-A383 PolarHBondContact O-N 3.12Å
380G98.3Very high97.4Very high0 Ų040.1 Ų40.10%021%0.212CC..Hα-helixtrans-65-42.317400000113.3Q376 L377 E378 A383 V384Q376-G380 PolarHBondContact O-N 3.08Å; L377-G380 PolarHBondContact O-N 3.13Å; E378-G380 VanDerWaalsContact C-N 3.28Å; E378-G380 PolarHBondContact O-N 3.05Å; G380-A383 PolarHBondContact O-N 2.89Å; G380-V384 PolarHBondContact O-N 3.3Å
381L98.6Very high97.5Very high0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-76.5-35.8-178.3-67.9174.7000113.2A99 C102 V103 L140 L145 A158 L377 E378 V384 K385A99-L381 HydrophobicContact CB-CD1 3.62Å; C102-L381 HydrophobicContact CB-CB 4.14Å; V103-L381 HydrophobicContact CG2-CD1 4.23Å; V103-L381 HydrophobicContact CG2-CD2 4.17Å; L140-L381 HydrophobicContact CD1-CD2 3.71Å; L140-L381 HydrophobicContact CD2-CD2 4.16Å; L145-L381 HydrophobicContact CD1-CD1 4.17Å; L145-L381 HydrophobicContact CD2-CD1 4.38Å; A158-L381 HydrophobicContact CB-CD2 4.36Å; L377-L381 HydrophobicContact CD1-CD1 3.83Å; L377-L381 HydrophobicContact CD1-CG 4.38Å; L377-L381 HydrophobicContact CG-CD1 3.88Å; L377-L381 WeakPolarHBondContact O-CB 3.41Å; L377-L381 VanDerWaalsContact O-CG 3.31Å; L377-L381 WeakPolarHBondContact O-CG 3.4Å; L377-L381 PolarHBondContact O-N 3.43Å; E378-L381 PolarHBondContact O-N 3.47Å; L381-V384 HydrophobicContact CD2-CG1 4.26Å; L381-V384 WeakPolarHBondContact O-CG1 3.35Å; L381-K385 VanDerWaalsContact O-CB 3.29Å; L381-K385 WeakPolarHBondContact O-CB 3.29Å; L381-K385 PolarHBondContact O-N 3.49Å
382V98.8Very high97.4Very high47 Ų4732.4 Ų32.429%0.28516%0.161SC..Hα-helixtrans-63.9-42.4168.5172.80000110.6V98 E378 K385 T386V98-V382 HydrophobicContact CG1-CG2 3.85Å; E378-V382 HydrophobicContact CG-CG2 4.04Å; E378-V382 WeakPolarHBondContact O-CB 3.38Å; E378-V382 WeakPolarHBondContact O-CG2 3.23Å; E378-V382 PolarHBondContact O-N 2.96Å; V382-K385 WeakPolarHBondContact O-CB 3.46Å; V382-K385 PolarHBondContact O-N 3.01Å; V382-T386 PolarHBondContact O-N 2.83Å; V382-T386 PolarHBondContact O-OG1 3.32Å
383A98.6Very high97.3Very high2 Ų234.1 Ų34.12%0.01717%0.17CC..Hα-helixtrans-63.1-47.8177.900000112.5H356 L359 L360 K379 G380 T386 V387H356-A383 HydrophobicContact CB-CB 3.99Å; L359-A383 HydrophobicContact CD2-CB 4.01Å; L360-A383 HydrophobicContact CD1-CB 4.27Å; L360-A383 HydrophobicContact CD2-CB 4.12Å; L360-A383 HydrophobicContact CG-CB 3.91Å; K379-A383 WeakPolarHBondContact O-CB 3.4Å; K379-A383 PolarHBondContact O-N 3.12Å; G380-A383 PolarHBondContact O-N 2.89Å; A383-T386 PolarHBondContact O-N 2.96Å; A383-V387 WeakPolarHBondContact O-CB 3.5Å; A383-V387 VanDerWaalsContact O-CG2 3.24Å; A383-V387 WeakPolarHBondContact O-CG2 3.23Å; A383-V387 PolarHBondContact O-N 3.1Å
384V98.7Very high97.1Very high0 Ų031.4 Ų31.40%015%0.152CC..Hα-helixtrans-68.4-34.1177.270.80000112.2L106 L140 A158 L161 L360 G380 L381 V387 V388L106-V384 HydrophobicContact CD1-CG1 4.02Å; L140-V384 HydrophobicContact CD2-CG1 4.34Å; A158-V384 HydrophobicContact CB-CB 4.05Å; A158-V384 HydrophobicContact CB-CG1 3.81Å; A158-V384 HydrophobicContact CB-CG2 4.49Å; L161-V384 HydrophobicContact CB-CG2 3.42Å; L161-V384 VanDerWaalsContact CB-CG2 3.42Å; L161-V384 HydrophobicContact CD1-CG2 3.86Å; L161-V384 HydrophobicContact CG-CG2 4.27Å; L360-V384 HydrophobicContact CD1-CB 4.11Å; L360-V384 HydrophobicContact CD2-CB 4.15Å; G380-V384 PolarHBondContact O-N 3.3Å; L381-V384 HydrophobicContact CD2-CG1 4.26Å; L381-V384 WeakPolarHBondContact O-CG1 3.35Å; V384-V387 PolarHBondContact O-N 3.31Å; V384-V388 HydrophobicContact CG2-CG2 4.04Å; V384-V388 WeakPolarHBondContact O-CB 3.49Å; V384-V388 WeakPolarHBondContact O-CG2 3.46Å; V384-V388 PolarHBondContact O-N 2.97Å
385K98.5Very high96.8Very high49 Ų4931 Ų3121%0.21315%0.153CC..Hα-helixtrans-54.1-58.1169.8178.7-169.5168.6177.60110.3C102 E105 L106 L381 V382 V387 V388 H389C102-K385 HydrophobicContact CB-CB 4.27Å; C102-K385 HydrophobicContact CB-CD 4.33Å; E105-K385 VanDerWaalsContact OE1-CE 3.24Å; E105-K385 WeakPolarHBondContact OE1-CE 3.42Å; E105-K385 IonicContact OE1-NZ 3.17Å; E105-K385 PolarHBondContact OE1-NZ 3.3Å; E105-K385 VanDerWaalsContact OE2-CE 3.24Å; E105-K385 WeakPolarHBondContact OE2-CE 3.32Å; E105-K385 IonicContact OE2-NZ 2.75Å; E105-K385 PolarHBondContact OE2-NZ 3Å; L106-K385 HydrophobicContact CD1-CB 4.34Å; L106-K385 HydrophobicContact CG-CB 4.41Å; L381-K385 VanDerWaalsContact O-CB 3.29Å; L381-K385 WeakPolarHBondContact O-CB 3.29Å; L381-K385 PolarHBondContact O-N 3.49Å; V382-K385 WeakPolarHBondContact O-CB 3.46Å; V382-K385 PolarHBondContact O-N 3.01Å; K385-V387 VanDerWaalsContact C-N 3.33Å; K385-V387 PolarHBondContact O-N 2.89Å; K385-V388 PolarHBondContact O-N 3.05Å; K385-H389 WeakPolarHBondContact O-CB 3.5Å; K385-H389 PolarHBondContact O-N 3.41Å; K385-H389 PolarHBondContact O-ND1 3.13Å
386T98.4Very high96.4Very high46 Ų4631.4 Ų31.428%0.28216%0.155SC..Hα-helixtrans-60.2-41.1-177.5-63.50000112.2L353 V382 A383 G390L353-T386 HydrophobicContact CD2-CG2 4.07Å; V382-T386 PolarHBondContact O-N 2.83Å; V382-T386 PolarHBondContact O-OG1 3.32Å; A383-T386 PolarHBondContact O-N 2.96Å; T386-G390 PolarHBondContact O-N 3.43Å
387V98.3Very high96Very high0 Ų032 Ų320%016%0.161CC..Hα-helixtrans-66.1-46.6179.4165.30000112.3T165 H356 L357 L360 A383 V384 K385 G390 L391T165-V387 HydrophobicContact CG2-CG1 3.41Å; T165-V387 VanDerWaalsContact CG2-CG1 3.41Å; H356-V387 HydrophobicContact CB-CG2 3.69Å; L357-V387 HydrophobicContact CD2-CB 4.32Å; L357-V387 HydrophobicContact CD2-CG1 3.58Å; L357-V387 HydrophobicContact CD2-CG2 3.69Å; L357-V387 HydrophobicContact CG-CG2 3.92Å; L360-V387 HydrophobicContact CD1-CB 4.39Å; L360-V387 HydrophobicContact CD1-CG2 4.11Å; A383-V387 WeakPolarHBondContact O-CB 3.5Å; A383-V387 VanDerWaalsContact O-CG2 3.24Å; A383-V387 WeakPolarHBondContact O-CG2 3.23Å; A383-V387 PolarHBondContact O-N 3.1Å; V384-V387 PolarHBondContact O-N 3.31Å; K385-V387 VanDerWaalsContact C-N 3.33Å; K385-V387 PolarHBondContact O-N 2.89Å; V387-G390 PolarHBondContact O-N 3.1Å; V387-L391 PolarHBondContact O-N 3.25Å
388V97.9Very high95.3Very high2 Ų235.5 Ų35.51%0.01218%0.177CC..Hα-helixtrans-70.9-36.6178.9174.40000111.4L106 Y109 L129 V384 K385 G390 L391 V392L106-V388 HydrophobicContact CD2-CB 3.72Å; L106-V388 HydrophobicContact CD2-CG1 3.79Å; L106-V388 HydrophobicContact CD2-CG2 4.28Å; Y109-V388 HydrophobicContact CD2-CG1 4.15Å; Y109-V388 HydrophobicContact CE2-CG1 4.08Å; L129-V388 HydrophobicContact CD1-CG1 4.42Å; L129-V388 HydrophobicContact CD2-CG1 4.2Å; V384-V388 HydrophobicContact CG2-CG2 4.04Å; V384-V388 WeakPolarHBondContact O-CB 3.49Å; V384-V388 WeakPolarHBondContact O-CG2 3.46Å; V384-V388 PolarHBondContact O-N 2.97Å; K385-V388 PolarHBondContact O-N 3.05Å; V388-G390 VanDerWaalsContact C-N 3.35Å; V388-L391 WeakPolarHBondContact O-CB 3.4Å; V388-L391 PolarHBondContact O-N 3.37Å; V388-V392 PolarHBondContact O-N 3.04Å; V388-V392 VanDerWaalsContact O-N 3.1Å
389H96.3Very high94.3Very high59 Ų5933.9 Ų33.927%0.27317%0.171SC..Hα-helixtrans-60.4-45171.3-79.472.7000111.2Y109 K385 L391 V392 D393Y109-H389 AromaticContact CE2-CE1 3.93Å; Y109-H389 PolarHBondContact OH-CD2 2.97Å; Y109-H389 PolarHBondContact OH-NE2 3.32Å; K385-H389 WeakPolarHBondContact O-CB 3.5Å; K385-H389 PolarHBondContact O-N 3.41Å; K385-H389 PolarHBondContact O-ND1 3.13Å; H389-L391 VanDerWaalsContact C-N 3.29Å; H389-L391 PolarHBondContact O-N 2.84Å; H389-V392 PolarHBondContact O-N 3.15Å; H389-V392 VanDerWaalsContact O-N 3.15Å; H389-D393 WeakPolarHBondContact O-CB 3.26Å; H389-D393 PolarHBondContact O-N 2.94Å
390G96Very high92.6Very high4 Ų438.6 Ų38.64%0.04119%0.191CC..Hα-helixtrans-61.9-32176.300000114.1T386 V387 V388 F394T386-G390 PolarHBondContact O-N 3.43Å; V387-G390 PolarHBondContact O-N 3.1Å; V388-G390 VanDerWaalsContact C-N 3.35Å; G390-F394 VanDerWaalsContact O-CB 3.27Å; G390-F394 WeakPolarHBondContact O-CB 3.42Å; G390-F394 PolarHBondContact O-N 3.34Å; G390-F394 VanDerWaalsContact O-N 3.07Å
391L95.9Very high90.6Very high0 Ų047.5 Ų47.50%023%0.23CC..Hα-helixtrans-66.8-45.6171.1178.364.3000112.1L129 M133 T165 E168 L169 V387 V388 H389 F394 I395L129-L391 HydrophobicContact CD2-CD2 4.5Å; M133-L391 HydrophobicContact CE-CD2 3.54Å; T165-L391 HydrophobicContact CG2-CB 3.76Å; T165-L391 HydrophobicContact CG2-CD1 4.44Å; T165-L391 HydrophobicContact CG2-CD2 4.07Å; T165-L391 HydrophobicContact CG2-CG 4.3Å; E168-L391 HydrophobicContact CB-CD1 4.07Å; E168-L391 HydrophobicContact CB-CD2 4.37Å; L169-L391 HydrophobicContact CD2-CD1 3.61Å; L169-L391 HydrophobicContact CG-CD1 3.95Å; V387-L391 PolarHBondContact O-N 3.25Å; V388-L391 WeakPolarHBondContact O-CB 3.4Å; V388-L391 PolarHBondContact O-N 3.37Å; H389-L391 VanDerWaalsContact C-N 3.29Å; H389-L391 PolarHBondContact O-N 2.84Å; L391-F394 PolarHBondContact O-N 2.91Å; L391-I395 HydrophobicContact CD1-CD1 3.79Å; L391-I395 HydrophobicContact CD1-CG1 4.22Å; L391-I395 HydrophobicContact CG-CD1 3.85Å; L391-I395 WeakPolarHBondContact O-CB 3.44Å; L391-I395 VanDerWaalsContact O-CG1 3.28Å; L391-I395 WeakPolarHBondContact O-CG1 3.37Å; L391-I395 PolarHBondContact O-N 3.39Å
392V93.9Very high87.8Confident3 Ų350 Ų502%0.01826%0.255CS..Hα-helixtrans-68-44.6-179175.70000111Y109 M128 L129 V388 H389 F394 I395 Q396Y109-V392 HydrophobicContact CD1-CG2 4.19Å; Y109-V392 HydrophobicContact CE1-CB 4.08Å; Y109-V392 HydrophobicContact CE1-CG1 3.81Å; Y109-V392 HydrophobicContact CE1-CG2 3.81Å; Y109-V392 HydrophobicContact CE2-CG2 4.3Å; M128-V392 HydrophobicContact CB-CG1 4Å; M128-V392 HydrophobicContact CB-CG2 4.37Å; M128-V392 HydrophobicContact CG-CG1 4.13Å; L129-V392 HydrophobicContact CD2-CG2 3.45Å; L129-V392 VanDerWaalsContact CD2-CG2 3.45Å; L129-V392 HydrophobicContact CG-CG2 4.32Å; V388-V392 PolarHBondContact O-N 3.04Å; V388-V392 VanDerWaalsContact O-N 3.1Å; H389-V392 PolarHBondContact O-N 3.15Å; H389-V392 VanDerWaalsContact O-N 3.15Å; V392-F394 VanDerWaalsContact C-N 3.34Å; V392-F394 PolarHBondContact O-N 3.16Å; V392-I395 PolarHBondContact O-N 3.32Å; V392-Q396 HydrophobicContact CG1-CG 4.27Å; V392-Q396 WeakPolarHBondContact O-CB 3.38Å; V392-Q396 VanDerWaalsContact O-CG 3.32Å; V392-Q396 WeakPolarHBondContact O-CG 3.42Å; V392-Q396 PolarHBondContact O-N 3.48Å
393D93.1Very high84.7Confident51 Ų5152.3 Ų52.327%0.27328%0.28SS..Hα-helixtrans-52.6-50.7171.9178.422.4000111R352 H389 I395 Q396 N397R352-D393 IonicContact CZ-OD2 3.43Å; R352-D393 IonicContact NH1-OD2 2.69Å; R352-D393 IonicContact NH2-OD2 3.82Å; R352-D393 PolarHBondContact NH2-OD2 3.13Å; H389-D393 WeakPolarHBondContact O-CB 3.26Å; H389-D393 PolarHBondContact O-N 2.94Å; D393-I395 PolarHBondContact O-N 2.89Å; D393-Q396 PolarHBondContact O-N 2.97Å; D393-N397 WeakPolarHBondContact O-CB 3.26Å; D393-N397 PolarHBondContact O-N 2.89Å; D393-N397 PolarHBondContact O-ND2 3.08Å; D393-N397 PolarHBondContact OD1-ND2 3.25Å
394F93.1Very high81.4Confident12 Ų1256.9 Ų56.95%0.05330%0.304CS..Hα-helixtrans-62.5-42.3176.3-176.6-93.1000113.5L169 Q172 H173 A348 L350 G390 L391 V392 Q396 H398 S399L169-F394 HydrophobicContact CD2-CB 4.31Å; L169-F394 HydrophobicContact CD2-CD1 3.98Å; L169-F394 HydrophobicContact CD2-CG 4.17Å; Q172-F394 HydrophobicContact CB-CE1 3.69Å; Q172-F394 HydrophobicContact CB-CZ 4.49Å; Q172-F394 HydrophobicContact CG-CE1 4.07Å; H173-F394 AromaticContact CE1-CE1 3.9Å; H173-F394 AromaticContact CE1-CE2 3.73Å; H173-F394 AromaticContact CE1-CZ 3.27Å; H173-F394 WeakPolarHBondContact CE1-CZ 3.5Å; H173-F394 AromaticContact NE2-CE2 3.84Å; H173-F394 AromaticContact NE2-CZ 3.56Å; A348-F394 HydrophobicContact CB-CD2 3.54Å; A348-F394 HydrophobicContact CB-CE2 3.9Å; L350-F394 HydrophobicContact CD1-CD2 3.47Å; L350-F394 VanDerWaalsContact CD1-CD2 3.47Å; L350-F394 HydrophobicContact CD1-CE2 3.66Å; L350-F394 HydrophobicContact CD1-CG 3.97Å; L350-F394 HydrophobicContact CD1-CZ 4.33Å; L350-F394 HydrophobicContact CD2-CB 4.18Å; L350-F394 HydrophobicContact CD2-CD2 4.29Å; L350-F394 HydrophobicContact CD2-CG 4.41Å; L350-F394 HydrophobicContact CG-CD2 4Å; G390-F394 VanDerWaalsContact O-CB 3.27Å; G390-F394 WeakPolarHBondContact O-CB 3.42Å; G390-F394 PolarHBondContact O-N 3.34Å; G390-F394 VanDerWaalsContact O-N 3.07Å; L391-F394 PolarHBondContact O-N 2.91Å; V392-F394 VanDerWaalsContact C-N 3.34Å; V392-F394 PolarHBondContact O-N 3.16Å; F394-Q396 VanDerWaalsContact C-N 3.32Å; F394-Q396 PolarHBondContact O-N 3.45Å; F394-H398 HydrophobicContact CD2-CB 3.66Å; F394-H398 HydrophobicContact CE2-CB 3.58Å; F394-H398 HydrophobicContact CG-CB 4.28Å; F394-H398 HydrophobicContact CZ-CB 4.1Å; F394-H398 CarbonylContact O-C 3.52Å; F394-H398 WeakPolarHBondContact O-CA 3.41Å; F394-H398 WeakPolarHBondContact O-CB 3.37Å; F394-H398 PolarHBondContact O-N 3.36Å; F394-S399 PolarHBondContact O-N 3.43Å
395I90.8Very high78.3Confident30 Ų3062.6 Ų62.615%0.15434%0.341CS..Hα-helixtrans-64.9-37.8178.4-74.3172.8000111.2L391 V392 D393 S399L391-I395 HydrophobicContact CD1-CD1 3.79Å; L391-I395 HydrophobicContact CD1-CG1 4.22Å; L391-I395 HydrophobicContact CG-CD1 3.85Å; L391-I395 WeakPolarHBondContact O-CB 3.44Å; L391-I395 VanDerWaalsContact O-CG1 3.28Å; L391-I395 WeakPolarHBondContact O-CG1 3.37Å; L391-I395 PolarHBondContact O-N 3.39Å; V392-I395 PolarHBondContact O-N 3.32Å; D393-I395 PolarHBondContact O-N 2.89Å; I395-S399 VanDerWaalsContact O-CB 3.27Å; I395-S399 WeakPolarHBondContact O-CB 3.43Å
396Q88.2Confident75.1Confident110 Ų11068.5 Ų68.551%0.51437%0.369SS..Hα-helixtrans-74.7-46.5179.7-72.8176.2-16.200112.6M128 V392 D393 F394M128-Q396 HydrophobicContact CG-CG 4.4Å; M128-Q396 HydrophobicContact SD-CG 3.59Å; M128-Q396 VanDerWaalsContact SD-CG 3.59Å; V392-Q396 HydrophobicContact CG1-CG 4.27Å; V392-Q396 WeakPolarHBondContact O-CB 3.38Å; V392-Q396 VanDerWaalsContact O-CG 3.32Å; V392-Q396 WeakPolarHBondContact O-CG 3.42Å; V392-Q396 PolarHBondContact O-N 3.48Å; D393-Q396 PolarHBondContact O-N 2.97Å; F394-Q396 VanDerWaalsContact C-N 3.32Å; F394-Q396 PolarHBondContact O-N 3.45Å
397N88.1Confident71.9Confident110 Ų11073.3 Ų73.359%0.58839%0.389SS*.Hα-helixtrans-99-20-167.5-64.5-40.4000114.1D393D393-N397 WeakPolarHBondContact O-CB 3.26Å; D393-N397 PolarHBondContact O-N 2.89Å; D393-N397 PolarHBondContact O-ND2 3.08Å; D393-N397 PolarHBondContact OD1-ND2 3.25Å
398H83.3Confident68.8Low74 Ų7477.4 Ų77.434%0.34342%0.415SS..THydrogen-bonded Turntrans-131-14.4-172.9-60.7-90.3000115.3P347 F394 K400P347-H398 PolarHBondContact O-CE1 3.11Å; P347-H398 VanDerWaalsContact O-CE1 3.26Å; F394-H398 HydrophobicContact CD2-CB 3.66Å; F394-H398 HydrophobicContact CE2-CB 3.58Å; F394-H398 HydrophobicContact CG-CB 4.28Å; F394-H398 HydrophobicContact CZ-CB 4.1Å; F394-H398 CarbonylContact O-C 3.52Å; F394-H398 WeakPolarHBondContact O-CA 3.41Å; F394-H398 WeakPolarHBondContact O-CB 3.37Å; F394-H398 PolarHBondContact O-N 3.36Å; H398-K400 PolarHBondContact O-N 3Å
399S76.3Confident65.9Low11 Ų1181.9 Ų81.98%0.07744%0.444CS..  trans-74.9122.5174.6-172.20000111.5Q172 F394 I395 K401 G402Q172-S399 PolarHBondContact OE1-OG 3.29Å; F394-S399 PolarHBondContact O-N 3.43Å; I395-S399 VanDerWaalsContact O-CB 3.27Å; I395-S399 WeakPolarHBondContact O-CB 3.43Å; S399-K401 PolarHBondContact O-N 2.82Å; S399-G402 PolarHBondContact O-N 3.18Å; S399-G402 VanDerWaalsContact O-N 3.15Å
400K62.8Low63.5Low201 Ų20185.7 Ų85.787%0.87446%0.462SS*.THydrogen-bonded Turntrans-67.419.3-179.2-56.5174.8-176.3173.90114.7H398H398-K400 PolarHBondContact O-N 3Å
401K56.3Low61.3Low186 Ų18693.8 Ų93.881%0.80950%0.498SS*.THydrogen-bonded Turntrans-103.1-19.9173.3-69.1-180177.1176.20112.3S399S399-K401 PolarHBondContact O-N 2.82Å
402G40.9Very low59.3Low52 Ų5294.9 Ų94.954%0.53651%0.506SS..SBendtrans-80.1119164.500000110S399S399-G402 PolarHBondContact O-N 3.18Å; S399-G402 VanDerWaalsContact O-N 3.15Å
403A33.6Very low57.6Low96 Ų96100.7 Ų100.779%0.79353%0.531SS*.  trans51.880.8174.400000116.6P405A403-P405 VanDerWaalsContact O-CD 3.26Å; A403-P405 WeakPolarHBondContact O-CD 3.2Å
404D28Very low56.2Low98 Ų98106 Ų10652%0.52455%0.548SS..  trans-84.9108.5141177.645.9000108.7Q406 Q407D404-Q406 PolarHBondContact O-N 3.09Å; D404-Q406 WeakPolarHBondContact OD2-CA 3.47Å; D404-Q407 WeakPolarHBondContact OD1-CG 3.21Å; D404-Q407 PolarHBondContact OD1-N 2.84Å; D404-Q407 VanDerWaalsContact OD1-N 3.07Å; D404-Q407 PolarHBondContact OD2-N 2.96Å
405P34.9Very low55.5Low120 Ų120105.9 Ų105.978%0.77955%0.548SS*.  trans-7862.1172.534.5-36000110.4A403A403-P405 VanDerWaalsContact O-CD 3.26Å; A403-P405 WeakPolarHBondContact O-CD 3.2Å
406Q30.8Very low54.9Low174 Ų174107.2 Ų107.281%0.81356%0.558SS**  trans44.381-175.9-67-173.1-41.100113.6D404 P408D404-Q406 PolarHBondContact O-N 3.09Å; D404-Q406 WeakPolarHBondContact OD2-CA 3.47Å; Q406-P408 WeakPolarHBondContact O-CD 3.48Å
407Q31.5Very low54.7Low147 Ų147109.4 Ų109.469%0.68756%0.562SS**  trans-56.8114.7162.9-87.7-167.923.700109.3D404D404-Q407 WeakPolarHBondContact OD1-CG 3.21Å; D404-Q407 PolarHBondContact OD1-N 2.84Å; D404-Q407 VanDerWaalsContact OD1-N 3.07Å; D404-Q407 PolarHBondContact OD2-N 2.96Å
408P32.6Very low54.6Low85 Ų85107 Ų10755%0.55255%0.548SS*.  trans-67.1136.4-178.528.1-33.7000108.6Q406 Q410Q406-P408 WeakPolarHBondContact O-CD 3.48Å; P408-Q410 PolarHBondContact O-N 3.36Å
409P36.7Very low54.7Low96 Ų96103.6 Ų103.662%0.62353%0.532SS*.  trans-56.4136-171.118.9-31.6000112H411 S412P409-H411 PolarHBondContact O-N 3.01Å; P409-S412 WeakPolarHBondContact O-CB 3.43Å; P409-S412 PolarHBondContact O-N 3.12Å; P409-S412 PolarHBondContact O-OG 3.07Å
410Q46.6Very low55.1Low140 Ų140112.8 Ų112.865%0.65457%0.565SS**THydrogen-bonded Turntrans-61.96.5-166.5-78.3-77.1-12.200116.7P408P408-Q410 PolarHBondContact O-N 3.36Å
411H49.1Very low56.1Low173 Ų173105.5 Ų105.580%0.80154%0.536SS*.THydrogen-bonded Turntrans-97.43.9170.3-68.5-77.2000114P409 K413P409-H411 PolarHBondContact O-N 3.01Å; H411-K413 PolarHBondContact O-N 3.43Å
412S53.9Low57.4Low23 Ų2399.1 Ų99.116%0.16151%0.51CS..  trans-68.215.4-178.4-60.60000116.2P409 Y414 Y446P409-S412 WeakPolarHBondContact O-CB 3.43Å; P409-S412 PolarHBondContact O-N 3.12Å; P409-S412 PolarHBondContact O-OG 3.07Å; S412-Y414 PolarHBondContact O-N 3.46Å; S412-Y446 WeakPolarHBondContact CB-OH 3.29Å; S412-Y446 WeakPolarHBondContact O-CE1 3.46Å
413K59.5Low59Low125 Ų125105 Ų10554%0.54352%0.521SS..SBendtrans-72.4-33.8-160.2-68.5-168.2175.6-178.20116.1H411H411-K413 PolarHBondContact O-N 3.43Å
414Y63.8Low60.8Low162 Ų162108 Ų10864%0.63552%0.518SS*.  trans-142.955.1-170.4-52.1-67.9000116.2S412 T416S412-Y414 PolarHBondContact O-N 3.46Å; Y414-T416 VanDerWaalsContact C-N 3.31Å; Y414-T416 PolarHBondContact O-N 3.34Å
415K77.8Confident63Low11 Ų11111.5 Ų111.55%0.04853%0.529CS..  trans-7974.5171.8-55.8-159.5-173.5-162.70112.1A432 C434 T435 A437 E442 L443 Y446K415-A432 PolarHBondContact NZ-O 2.82Å; K415-C434 WeakPolarHBondContact CE-O 3.33Å; K415-C434 PolarHBondContact NZ-O 2.97Å; K415-T435 WeakPolarHBondContact CA-O 3.46Å; K415-A437 HydrophobicContact CB-CB 4.43Å; K415-E442 HydrophobicContact CD-CG 4.32Å; K415-E442 WeakPolarHBondContact CD-OE1 3.25Å; K415-E442 VanDerWaalsContact CE-OE1 3.28Å; K415-E442 WeakPolarHBondContact CE-OE1 3.5Å; K415-E442 IonicContact NZ-OE1 3.09Å; K415-E442 PolarHBondContact NZ-OE1 3.16Å; K415-E442 IonicContact NZ-OE2 2.86Å; K415-L443 WeakPolarHBondContact O-CD1 3.27Å; K415-Y446 HydrophobicContact CB-CD2 3.64Å; K415-Y446 HydrophobicContact CB-CE2 4.07Å; K415-Y446 HydrophobicContact CB-CG 4.08Å; K415-Y446 HydrophobicContact CD-CD2 4.26Å; K415-Y446 HydrophobicContact CD-CE2 3.85Å; K415-Y446 HydrophobicContact CG-CD2 4.15Å; K415-Y446 HydrophobicContact CG-CE2 4.05Å
416T77.9Confident64.9Low58 Ų58109 Ų10936%0.35653%0.525SS..  trans-95.5-9.4-17150.60000115.7Y414 L443Y414-T416 VanDerWaalsContact C-N 3.31Å; Y414-T416 PolarHBondContact O-N 3.34Å; T416-L443 VanDerWaalsContact O-CD1 3.28Å; T416-L443 WeakPolarHBondContact O-CD1 3.38Å
417Y83.7Confident67Low155 Ų155102.5 Ų102.561%0.60851%0.505SS*.SBendtrans-140.4158.5177.1-61.4-90.7000111.6A437Y417-A437 PolarHBondContact O-N 2.91Å
418M86.3Confident69.5Low61 Ų6196.3 Ų96.330%0.348%0.478SS..BIsolated β-bridgetrans-68.9142.5174.1-71.4-56.4-64.400112.4R420 A437 L443M418-R420 PolarHBondContact O-N 3.18Å; M418-A437 WeakPolarHBondContact CE-O 3.38Å; M418-A437 HydrophobicContact SD-CB 4.01Å; M418-L443 HydrophobicContact CG-CD2 3.77Å; M418-L443 HydrophobicContact SD-CB 4.06Å; M418-L443 HydrophobicContact SD-CD2 3.87Å
419C85.8Confident71.6Confident1 Ų198 Ų981%0.00749%0.489CS..  trans-71.9123.5174.5-177.90000111M422 K423 C428 F436 A437 H438C419-M422 HydrophobicContact CB-CB 4.03Å; C419-K423 PolarHBondContact O-N 3.45Å; C419-K423 VanDerWaalsContact O-N 3.15Å; C419-C428 VanDerWaalsContact SG-SG 3.66Å; C419-F436 HydrophobicContact CB-CB 3.71Å; C419-A437 WeakPolarHBondContact CB-O 3.4Å; C419-A437 PolarHBondContact N-O 3.08Å; C419-H438 VanDerWaalsContact CB-CD2 3.48Å; C419-H438 WeakPolarHBondContact CB-CD2 3.41Å
420R85.3Confident73.5Confident204 Ų20498.8 Ų98.877%0.7748%0.479SS*.Hα-helixtrans-63.3-42.9175.8-66.5-177.1179.1179.8-1111.8M418 M422 K423 Q424M418-R420 PolarHBondContact O-N 3.18Å; R420-M422 PolarHBondContact O-N 2.8Å; R420-K423 PolarHBondContact O-N 2.86Å; R420-Q424 WeakPolarHBondContact O-CB 3.49Å; R420-Q424 PolarHBondContact O-N 3.16Å
421D82.9Confident75.1Confident48 Ų4893.8 Ų93.826%0.25747%0.465SS..Hα-helixtrans-58.2-49.5-178.6-47.5-47.3000111Q424 K425 C428 R430D421-Q424 PolarHBondContact O-N 3.48Å; D421-K425 WeakPolarHBondContact O-CB 3.43Å; D421-K425 PolarHBondContact O-N 2.9Å; D421-C428 HydrophobicContact CB-CB 4.15Å; D421-R430 IonicContact OD2-CZ 3.55Å; D421-R430 IonicContact OD2-NE 2.96Å; D421-R430 IonicContact OD2-NH2 3.79Å; D421-R430 PolarHBondContact OD2-NH2 2.95Å
422M84.3Confident76.4Confident52 Ų5289.8 Ų89.826%0.25646%0.462SS..Hα-helixtrans-61.4-45.8176.4-173.258.275.500111.9C419 R420 Q424 G426 C428 H438C419-M422 HydrophobicContact CB-CB 4.03Å; R420-M422 PolarHBondContact O-N 2.8Å; M422-Q424 VanDerWaalsContact C-N 3.33Å; M422-Q424 PolarHBondContact O-N 3.09Å; M422-G426 PolarHBondContact O-N 3.46Å; M422-C428 HydrophobicContact CB-CB 4.33Å; M422-C428 HydrophobicContact CE-CB 4.05Å; M422-H438 HydrophobicContact CE-CB 4.04Å; M422-H438 WeakPolarHBondContact CE-ND1 3.38Å; M422-H438 HydrophobicContact CG-CB 4.09Å
423K74.3Confident77.3Confident177 Ų17793.5 Ų93.577%0.7749%0.488SS*.Hα-helixtrans-67.7-27.9-177.9-171.7174.2179.8-177.80113.6C419 R420C419-K423 PolarHBondContact O-N 3.45Å; C419-K423 VanDerWaalsContact O-N 3.15Å; R420-K423 PolarHBondContact O-N 2.86Å
424Q72.4Confident78.3Confident157 Ų15787.6 Ų87.673%0.73446%0.463SS*.Hα-helixtrans-103-26.2-175.4-70.5-177.4-34.100114.6R420 D421 M422R420-Q424 WeakPolarHBondContact O-CB 3.49Å; R420-Q424 PolarHBondContact O-N 3.16Å; D421-Q424 PolarHBondContact O-N 3.48Å; M422-Q424 VanDerWaalsContact C-N 3.33Å; M422-Q424 PolarHBondContact O-N 3.09Å
425K73.1Confident79.2Confident172 Ų17283.8 Ų83.875%0.74846%0.456SS*.Hα-helixtrans-1232.8-172.7-60.3-174.6178.1-178.10114.2D421 G427D421-K425 WeakPolarHBondContact O-CB 3.43Å; D421-K425 PolarHBondContact O-N 2.9Å; K425-G427 PolarHBondContact O-N 2.91Å; K425-G427 VanDerWaalsContact O-N 3.08Å
426G74.1Confident79.5Confident69 Ų6987 Ų8771%0.71147%0.47SS*.SBendtrans675.2-178.400000114.8M422M422-G426 PolarHBondContact O-N 3.46Å
427G76.1Confident79.9Confident37 Ų3784.2 Ų84.238%0.38145%0.454SS..  trans-161.8141.8-178.200000110.8K425K425-G427 PolarHBondContact O-N 2.91Å; K425-G427 VanDerWaalsContact O-N 3.08Å
428C84Confident80.1Confident17 Ų1778.8 Ų78.812%0.11543%0.433CS..  trans-117.2125.7178.7172.50000109.5C419 D421 M422 R430 G431 C434 H438C419-C428 VanDerWaalsContact SG-SG 3.66Å; D421-C428 HydrophobicContact CB-CB 4.15Å; M422-C428 HydrophobicContact CB-CB 4.33Å; M422-C428 HydrophobicContact CE-CB 4.05Å; C428-R430 PolarHBondContact O-N 3.12Å; C428-G431 PolarHBondContact O-N 3.39Å; C428-C434 VanDerWaalsContact SG-SG 3.68Å; C428-H438 VanDerWaalsContact CB-CE1 3.41Å; C428-H438 WeakPolarHBondContact CB-CE1 3.38Å; C428-H438 VanDerWaalsContact CB-NE2 3.34Å; C428-H438 WeakPolarHBondContact CB-NE2 3.46Å; C428-H438 PolarHBondContact SG-NE2 3.41Å
429P75.8Confident80.1Confident121 Ų12177.9 Ų77.979%0.78643%0.433SS*.THydrogen-bonded Turntrans-66.2-10.8-176.928-35.9000113.7
430R77.1Confident79.9Confident111 Ų11182.3 Ų82.342%0.41945%0.454SS..THydrogen-bonded Turntrans-92.5-5.5176.1-66.7173.2-78.2-164.6-8113.8D421 C428 A432 S433 C434D421-R430 IonicContact OD2-CZ 3.55Å; D421-R430 IonicContact OD2-NE 2.96Å; D421-R430 IonicContact OD2-NH2 3.79Å; D421-R430 PolarHBondContact OD2-NH2 2.95Å; C428-R430 PolarHBondContact O-N 3.12Å; R430-A432 PolarHBondContact O-N 2.79Å; R430-S433 CarbonylContact O-C 3.52Å; R430-S433 PolarHBondContact O-N 3.01Å; R430-S433 PolarHBondContact O-OG 3.13Å; R430-C434 HydrophobicContact CB-CB 3.78Å; R430-C434 PolarHBondContact O-N 2.8Å
431G80.6Confident79.8Confident35 Ų3579.7 Ų79.736%0.36145%0.45SS..G310 helixtrans48.5-138.617500000114C428 S433 C434 H438C428-G431 PolarHBondContact O-N 3.39Å; G431-S433 VanDerWaalsContact C-N 3.26Å; G431-S433 PolarHBondContact O-N 3.29Å; G431-C434 VanDerWaalsContact O-CB 3.3Å; G431-C434 WeakPolarHBondContact O-CB 3.29Å; G431-C434 PolarHBondContact O-N 3.32Å; G431-H438 PolarHBondContact O-CE1 2.82Å
432A75Confident79.9Confident90 Ų9079.7 Ų79.774%0.74445%0.449SS*.G310 helixtrans-62.1-29.1179.900000114.1K415 R430 C434K415-A432 PolarHBondContact NZ-O 2.82Å; R430-A432 PolarHBondContact O-N 2.79Å; A432-C434 VanDerWaalsContact C-N 3.26Å; A432-C434 PolarHBondContact O-N 3.35Å
433S73.1Confident79.9Confident101 Ų10177.4 Ų77.471%0.70644%0.437SS*.G310 helixtrans-82.55.3178.857.40000114R430 G431 T435R430-S433 CarbonylContact O-C 3.52Å; R430-S433 PolarHBondContact O-N 3.01Å; R430-S433 PolarHBondContact O-OG 3.13Å; G431-S433 VanDerWaalsContact C-N 3.26Å; G431-S433 PolarHBondContact O-N 3.29Å; S433-T435 PolarHBondContact O-N 3.09Å
434C81.8Confident80.1Confident1 Ų172.4 Ų72.41%0.00742%0.417CS..  trans-60.6129.3168.1-170.20000111.1K415 C428 R430 G431 A432 F436 H438K415-C434 WeakPolarHBondContact CE-O 3.33Å; K415-C434 PolarHBondContact NZ-O 2.97Å; C428-C434 VanDerWaalsContact SG-SG 3.68Å; R430-C434 HydrophobicContact CB-CB 3.78Å; R430-C434 PolarHBondContact O-N 2.8Å; G431-C434 VanDerWaalsContact O-CB 3.3Å; G431-C434 WeakPolarHBondContact O-CB 3.29Å; G431-C434 PolarHBondContact O-N 3.32Å; A432-C434 VanDerWaalsContact C-N 3.26Å; A432-C434 PolarHBondContact O-N 3.35Å; C434-F436 PolarHBondContact O-N 3.4Å; C434-H438 WeakPolarHBondContact CB-NE2 3.28Å; C434-H438 PolarHBondContact SG-NE2 3.3Å
435T81.8Confident80.6Confident82 Ų8272.6 Ų72.650%0.50342%0.415SS..SBendtrans-74.2-3.7176.549.10000113.9K415 S433K415-T435 WeakPolarHBondContact CA-O 3.46Å; S433-T435 PolarHBondContact O-N 3.09Å
436F83.8Confident80.8Confident78 Ų7866.2 Ų66.234%0.34239%0.387SS..SBendtrans-113.5149.3176.3-61.6-81.9000110.3C419 C434 H438C419-F436 HydrophobicContact CB-CB 3.71Å; C434-F436 PolarHBondContact O-N 3.4Å; F436-H438 PolarHBondContact O-CD2 3.17Å
437A87.1Confident81Confident0 Ų069 Ų690%038%0.376CS..BIsolated β-bridgetrans-72.1139.3-176.300000112.2K415 Y417 M418 C419 E442 L443K415-A437 HydrophobicContact CB-CB 4.43Å; Y417-A437 PolarHBondContact O-N 2.91Å; M418-A437 WeakPolarHBondContact CE-O 3.38Å; M418-A437 HydrophobicContact SD-CB 4.01Å; C419-A437 WeakPolarHBondContact CB-O 3.4Å; C419-A437 PolarHBondContact N-O 3.08Å; A437-E442 WeakPolarHBondContact CA-OE2 3.11Å; A437-E442 HydrophobicContact CB-CB 4.3Å; A437-E442 HydrophobicContact CB-CG 4.32Å; A437-L443 HydrophobicContact CB-CB 3.63Å; A437-L443 HydrophobicContact CB-CD1 4.36Å
438H88.3Confident80.9Confident40 Ų4073.7 Ų73.719%0.18539%0.386CS..SBendtrans-96.8-24-179.7-72-177.6000113.1C419 M422 C428 G431 C434 F436 E442C419-H438 VanDerWaalsContact CB-CD2 3.48Å; C419-H438 WeakPolarHBondContact CB-CD2 3.41Å; M422-H438 HydrophobicContact CE-CB 4.04Å; M422-H438 WeakPolarHBondContact CE-ND1 3.38Å; M422-H438 HydrophobicContact CG-CB 4.09Å; C428-H438 VanDerWaalsContact CB-CE1 3.41Å; C428-H438 WeakPolarHBondContact CB-CE1 3.38Å; C428-H438 VanDerWaalsContact CB-NE2 3.34Å; C428-H438 WeakPolarHBondContact CB-NE2 3.46Å; C428-H438 PolarHBondContact SG-NE2 3.41Å; G431-H438 PolarHBondContact O-CE1 2.82Å; C434-H438 WeakPolarHBondContact CB-NE2 3.28Å; C434-H438 PolarHBondContact SG-NE2 3.3Å; F436-H438 PolarHBondContact O-CD2 3.17Å; H438-E442 PolarHBondContact N-OE2 2.91Å
439S84.6Confident80.2Confident42 Ų4277.8 Ų77.829%0.29441%0.405SS..SBendtrans-124.1159.4165.3910000111.8E441 E442 L443S439-E441 PolarHBondContact O-N 3.38Å; S439-E441 PolarHBondContact OG-N 3.23Å; S439-E441 PolarHBondContact OG-OE2 2.97Å; S439-E442 PolarHBondContact O-N 3.41Å; S439-E442 PolarHBondContact OG-N 3.39Å; S439-E442 VanDerWaalsContact OG-N 3.16Å; S439-L443 PolarHBondContact O-N 3.25Å; S439-L443 VanDerWaalsContact O-N 3.13Å
440Q81.9Confident79.5Confident95 Ų9576 Ų7644%0.44439%0.388SS..Hα-helixtrans-60.7-34.7173.5177.164.220.100111.2L443 E444Q440-L443 WeakPolarHBondContact O-CB 3.42Å; Q440-L443 PolarHBondContact O-N 3.08Å; Q440-E444 PolarHBondContact NE2-OE1 3.1Å; Q440-E444 WeakPolarHBondContact O-CG 3.4Å; Q440-E444 PolarHBondContact O-N 3.16Å
441E82.9Confident78.9Confident149 Ų14979.3 Ų79.370%0.69641%0.406SS*.Hα-helixtrans-69.5-38178.3-51.8135.8131.600111.4S439 E444 K445S439-E441 PolarHBondContact O-N 3.38Å; S439-E441 PolarHBondContact OG-N 3.23Å; S439-E441 PolarHBondContact OG-OE2 2.97Å; E441-E444 PolarHBondContact O-N 3.13Å; E441-K445 VanDerWaalsContact O-CB 3.29Å; E441-K445 WeakPolarHBondContact O-CB 3.42Å; E441-K445 PolarHBondContact O-N 3.33Å
442E86.1Confident77.9Confident47 Ų4788.2 Ų88.222%0.2243%0.428CS..Hα-helixtrans-59.8-48.4172.2-173.5-179.1-15600110.2K415 A437 H438 S439 E444 K445 Y446K415-E442 HydrophobicContact CD-CG 4.32Å; K415-E442 WeakPolarHBondContact CD-OE1 3.25Å; K415-E442 VanDerWaalsContact CE-OE1 3.28Å; K415-E442 WeakPolarHBondContact CE-OE1 3.5Å; K415-E442 IonicContact NZ-OE1 3.09Å; K415-E442 PolarHBondContact NZ-OE1 3.16Å; K415-E442 IonicContact NZ-OE2 2.86Å; A437-E442 WeakPolarHBondContact CA-OE2 3.11Å; A437-E442 HydrophobicContact CB-CB 4.3Å; A437-E442 HydrophobicContact CB-CG 4.32Å; H438-E442 PolarHBondContact N-OE2 2.91Å; S439-E442 PolarHBondContact O-N 3.41Å; S439-E442 PolarHBondContact OG-N 3.39Å; S439-E442 VanDerWaalsContact OG-N 3.16Å; E442-E444 VanDerWaalsContact C-N 3.35Å; E442-E444 PolarHBondContact O-N 3.35Å; E442-K445 WeakPolarHBondContact O-CB 3.39Å; E442-K445 PolarHBondContact O-N 3.35Å; E442-Y446 HydrophobicContact CG-CD2 3.98Å; E442-Y446 HydrophobicContact CG-CE2 3.7Å; E442-Y446 WeakPolarHBondContact O-CD2 3.22Å; E442-Y446 PolarHBondContact O-N 2.95Å; E442-Y446 VanDerWaalsContact O-N 3.15Å
443L83.3Confident76.8Confident4 Ų491.4 Ų91.42%0.02143%0.43CS..Hα-helixtrans-57.8-45.1177.5178.354.6000112.4K415 T416 M418 A437 S439 Q440 Y446 R447K415-L443 WeakPolarHBondContact O-CD1 3.27Å; T416-L443 VanDerWaalsContact O-CD1 3.28Å; T416-L443 WeakPolarHBondContact O-CD1 3.38Å; M418-L443 HydrophobicContact CG-CD2 3.77Å; M418-L443 HydrophobicContact SD-CB 4.06Å; M418-L443 HydrophobicContact SD-CD2 3.87Å; A437-L443 HydrophobicContact CB-CB 3.63Å; A437-L443 HydrophobicContact CB-CD1 4.36Å; S439-L443 PolarHBondContact O-N 3.25Å; S439-L443 VanDerWaalsContact O-N 3.13Å; Q440-L443 WeakPolarHBondContact O-CB 3.42Å; Q440-L443 PolarHBondContact O-N 3.08Å; L443-Y446 PolarHBondContact O-N 2.76Å; L443-R447 HydrophobicContact CD1-CG 4.44Å; L443-R447 VanDerWaalsContact O-CG 3.32Å; L443-R447 WeakPolarHBondContact O-CG 3.44Å; L443-R447 PolarHBondContact O-N 3.12Å
444E80Confident75.5Confident73 Ų7391.1 Ų91.134%0.34143%0.433SS..Hα-helixtrans-69.9-34.5178.7-75.9-175-151.200113.5Q440 E441 E442 R447 K448Q440-E444 PolarHBondContact NE2-OE1 3.1Å; Q440-E444 WeakPolarHBondContact O-CG 3.4Å; Q440-E444 PolarHBondContact O-N 3.16Å; E441-E444 PolarHBondContact O-N 3.13Å; E442-E444 VanDerWaalsContact C-N 3.35Å; E442-E444 PolarHBondContact O-N 3.35Å; E444-R447 PolarHBondContact O-N 3.23Å; E444-K448 WeakPolarHBondContact O-CB 3.4Å; E444-K448 WeakPolarHBondContact O-CD 3.47Å; E444-K448 WeakPolarHBondContact O-CG 3.21Å; E444-K448 PolarHBondContact O-N 3.22Å; E444-K448 IonicContact OE2-NZ 3.82Å; E444-K448 PolarHBondContact OE2-NZ 3.11Å
445K81.9Confident73.7Confident160 Ų16094.2 Ų94.270%0.69647%0.466SS*.Hα-helixtrans-59.9-45.8174.6-170.2174.8-177.6178.40110.7E441 E442 K448 M449E441-K445 VanDerWaalsContact O-CB 3.29Å; E441-K445 WeakPolarHBondContact O-CB 3.42Å; E441-K445 PolarHBondContact O-N 3.33Å; E442-K445 WeakPolarHBondContact O-CB 3.39Å; E442-K445 PolarHBondContact O-N 3.35Å; K445-K448 PolarHBondContact O-N 3.04Å; K445-M449 PolarHBondContact O-N 2.69Å; K445-M449 VanDerWaalsContact O-N 3.08Å
446Y77.4Confident71.7Confident39 Ų39101.8 Ų101.815%0.15349%0.485CS..Hα-helixtrans-70-38.1176-73.1-70.3000113.2S412 K415 E442 L443 K448 M449 N450S412-Y446 WeakPolarHBondContact CB-OH 3.29Å; S412-Y446 WeakPolarHBondContact O-CE1 3.46Å; K415-Y446 HydrophobicContact CB-CD2 3.64Å; K415-Y446 HydrophobicContact CB-CE2 4.07Å; K415-Y446 HydrophobicContact CB-CG 4.08Å; K415-Y446 HydrophobicContact CD-CD2 4.26Å; K415-Y446 HydrophobicContact CD-CE2 3.85Å; K415-Y446 HydrophobicContact CG-CD2 4.15Å; K415-Y446 HydrophobicContact CG-CE2 4.05Å; E442-Y446 HydrophobicContact CG-CD2 3.98Å; E442-Y446 HydrophobicContact CG-CE2 3.7Å; E442-Y446 WeakPolarHBondContact O-CD2 3.22Å; E442-Y446 PolarHBondContact O-N 2.95Å; E442-Y446 VanDerWaalsContact O-N 3.15Å; L443-Y446 PolarHBondContact O-N 2.76Å; Y446-K448 PolarHBondContact O-N 2.77Å; Y446-M449 HydrophobicContact CD1-CE 4.13Å; Y446-M449 HydrophobicContact CE1-CE 4.23Å; Y446-M449 PolarHBondContact O-N 2.75Å; Y446-N450 PolarHBondContact O-N 2.9Å
447R78.8Confident69.1Low128 Ų128104.1 Ų104.148%0.48351%0.511SS..Hα-helixtrans-60.3-43.6173-74171.7175.2-171.9-3112.5L443 E444 M449 N450 K451L443-R447 HydrophobicContact CD1-CG 4.44Å; L443-R447 VanDerWaalsContact O-CG 3.32Å; L443-R447 WeakPolarHBondContact O-CG 3.44Å; L443-R447 PolarHBondContact O-N 3.12Å; E444-R447 PolarHBondContact O-N 3.23Å; R447-M449 VanDerWaalsContact C-N 3.3Å; R447-M449 PolarHBondContact O-N 3.45Å; R447-N450 PolarHBondContact O-N 3.34Å; R447-K451 PolarHBondContact O-N 3.44Å
448K74.5Confident66.5Low134 Ų134107.7 Ų107.758%0.58355%0.548SS*.Hα-helixtrans-65-31.6175.4-75.7161.3176.7152.60112.1E444 K445 Y446E444-K448 WeakPolarHBondContact O-CB 3.4Å; E444-K448 WeakPolarHBondContact O-CD 3.47Å; E444-K448 WeakPolarHBondContact O-CG 3.21Å; E444-K448 PolarHBondContact O-N 3.22Å; E444-K448 IonicContact OE2-NZ 3.82Å; E444-K448 PolarHBondContact OE2-NZ 3.11Å; K445-K448 PolarHBondContact O-N 3.04Å; Y446-K448 PolarHBondContact O-N 2.77Å
449M67.9Low63.8Low104 Ų104112.5 Ų112.551%0.51258%0.58SS.*Hα-helixtrans-73.1-46.9174.7-162.216583.500112.4K445 Y446 R447 K451 R452K445-M449 PolarHBondContact O-N 2.69Å; K445-M449 VanDerWaalsContact O-N 3.08Å; Y446-M449 HydrophobicContact CD1-CE 4.13Å; Y446-M449 HydrophobicContact CE1-CE 4.23Å; Y446-M449 PolarHBondContact O-N 2.75Å; R447-M449 VanDerWaalsContact C-N 3.3Å; R447-M449 PolarHBondContact O-N 3.45Å; M449-K451 VanDerWaalsContact C-N 3.32Å; M449-K451 PolarHBondContact O-N 2.94Å; M449-R452 WeakPolarHBondContact O-CB 3.47Å; M449-R452 PolarHBondContact O-N 3.46Å
450N61.4Low61.1Low82 Ų82116.6 Ų116.644%0.43960%0.603SS.*Hα-helixtrans-60.6-39.4179.7-123.150.7000112.3Y446 R447 R452 M453Y446-N450 PolarHBondContact O-N 2.9Å; R447-N450 PolarHBondContact O-N 3.34Å; N450-R452 PolarHBondContact O-N 3.26Å; N450-R452 VanDerWaalsContact O-N 3.16Å; N450-M453 PolarHBondContact O-N 3.21Å; N450-M453 VanDerWaalsContact O-N 3.09Å
451K63.8Low58.7Low182 Ų182121.4 Ų121.479%0.79162%0.623SS**Hα-helixtrans-62.9-19.5177.6-167.9170.1-178.3178.40113.5R447 M449R447-K451 PolarHBondContact O-N 3.44Å; M449-K451 VanDerWaalsContact C-N 3.32Å; M449-K451 PolarHBondContact O-N 2.94Å
452R60.7Low56.9Low221 Ų221119.7 Ų119.783%0.83463%0.625SS**Hα-helixtrans-84.5-19.5175.3-69.5177.7173.4-179-3.3113.9M449 N450M449-R452 WeakPolarHBondContact O-CB 3.47Å; M449-R452 PolarHBondContact O-N 3.46Å; N450-R452 PolarHBondContact O-N 3.26Å; N450-R452 VanDerWaalsContact O-N 3.16Å
453M51.8Low54.2Low157 Ų157124.9 Ų124.977%0.77365%0.654SS**Hα-helixtrans-87.4-25.6-179.9-73.9-176.4129.300113.6N450 G455N450-M453 PolarHBondContact O-N 3.21Å; N450-M453 VanDerWaalsContact O-N 3.09Å; M453-G455 PolarHBondContact O-N 3.14Å; M453-G455 VanDerWaalsContact O-N 3.13Å
454A46.6Very low51.6Low95 Ų95132.1 Ų132.179%0.78569%0.693SS**THydrogen-bonded Turntrans-74.96.1-177.700000115.2
455G43.3Very low49.1Very low67 Ų67131.2 Ų131.269%0.69170%0.703SS**THydrogen-bonded Turntrans-102.315.2-166.800000117.1M453M453-G455 PolarHBondContact O-N 3.14Å; M453-G455 VanDerWaalsContact O-N 3.13Å
456R39.8Very low46.6Very low240 Ų240132.3 Ų132.391%0.90672%0.715SS**  trans-143.894.6-179.6-86.2-171.6162.4-169.7-6.7113.2
457S29.8Very low44.1Very low128 Ų128136.4 Ų136.490%0.89575%0.745SS**  trans-179.2103.5143.9-98.40000112
458G30.9Very low42.6Very low75 Ų75135.6 Ų135.677%0.77376%0.756SS**  trans63.5152.4152.300000120.3
459V31.8Very low40.3Very low140 Ų140135.5 Ų135.585%0.84876%0.762SS**  cis-153172.9-6.5-173.70000107.6
460V29.5Very low38.5Very low129 Ų129135.8 Ų135.878%0.78277%0.769SS**  trans110.9138.3157.7-175.20000116.6
461F30.4Very low36.9Very low195 Ų195137.2 Ų137.286%0.85578%0.781SS**  trans-119.4-178.4179.7-76.2-86.4000108.7
462P44.4Very low35.4Very low114 Ų114134.5 Ų134.574%0.7478%0.78SS**  cis-134.3-153.33.842.7-22.8000113.9
463D29.3Very low34Very low156 Ų156129 Ų12983%0.83477%0.771SS**  trans102.1172.5152.5-129.9-95.8000119.7
464D29.1Very low33Very low156 Ų156132.2 Ų132.283%0.83477%0.774SS**  -121.2174-129.6-154.4-10.2000115.6
465G26.9Very low32.1Very low54 Ų54135.4 Ų135.456%0.55777%0.77SS**  trans106.9101.7145.900000121.6
466L29.7Very low31.3Very low182 Ų182139.6 Ų139.695%0.95377%0.772SS**  trans69.8169.1134.7-57.7175.7000122.4
467T26.3Very low30.8Very low126 Ų126133.1 Ų133.177%0.77376%0.763SS**  trans-121.9-173.1-166.256.50000111.9
468P46.2Very low32.1Very low110 Ų110132.3 Ų132.371%0.71476%0.755SS**  cis-121.6-131.2-6.624.82.9000110.9
469D27Very low32Very low133 Ų133134.7 Ų134.771%0.71175%0.754SS**  cis-165.5-178.4-1.9-146.4-31.8000111.9
470V29.9Very low31.8Very low109 Ų109133.5 Ų133.566%0.66175%0.747SS**  trans53.8111.8158.6179.70000117.5
471T27.8Very low31.8Very low113 Ų113135 Ų13569%0.69375%0.751SS**  cis80.3151.137.484.90000117.5
472V33.1Very low31.5Very low125 Ų125129.1 Ų129.176%0.75875%0.745SS**  trans70.3137.2160.1161.10000117.5
473T30.7Very low30.5Very low106 Ų106129.4 Ų129.465%0.6575%0.75SS**  cis-154.9-176.6-9.8310000108.5
474R30.5Very low30.3Very low223 Ų223128.6 Ų128.684%0.84275%0.75SS**  cis-152.9144.236.7-85.9-179.5168.8169.2-5.7109.8
475K28.2Very low30.2Very low163 Ų163125.2 Ų125.271%0.70974%0.744SS**  58.2133.977.2-60-164.8162.1-172.50114.6
476H26.9Very low31.5Very low155 Ų155128 Ų12872%0.71875%0.752SS**  cis-173.3168.1-10.4-108.2-44.8000111.6
477S28.7Very low31.4Very low104 Ų104127.1 Ų127.173%0.72775%0.748SS**  trans79.3154.8148.2-72.20000121.4
478P56.6Low31.4Very low111 Ų111128.7 Ų128.772%0.72175%0.751SS**  cis-148.5171.2-30.341.7-23.1000118.3
479V29.9Very low30.9Very low124 Ų124129.5 Ų129.575%0.75276%0.757SS**  trans72.7121.1156.8-145.80000123.1
480T27.2Very low31Very low116 Ų116131.2 Ų131.271%0.71276%0.76SS**  trans65.4120.1153.745.80000125.1
481N28.3Very low31Very low161 Ų161133.4 Ų133.486%0.86177%0.767SS**  trans62.9107.3135.1-63.55000122.4
482G24.6Very low31.1Very low71 Ų71134.1 Ų134.173%0.73277%0.771SS**  trans134.5115.513400000118.4
483S23.3Very low30.7Very low120 Ų120133 Ų13384%0.83978%0.775SS**  trans67.8133.6146.3-620000122.5
484V24.7Very low30.7Very low138 Ų138138.5 Ų138.584%0.83678%0.784SS**  trans60.296.2147.7-174.40000119.6
485A28.6Very low30.5Very low86 Ų86130.9 Ų130.971%0.71178%0.775SS**  24.1161.6118.600000122.5
486P54.4Low30.5Very low111 Ų111127.8 Ų127.872%0.72177%0.77SS**  cis-140.2173.8-27.337.7-20.7000115.1
487N26Very low30.4Very low164 Ų164127.1 Ų127.188%0.87777%0.772SS**  trans-168.1165.5134.1-107.9-47.6000115.1
488L26.3Very low30.3Very low159 Ų159129.1 Ų129.183%0.83278%0.78SS**  trans-70171.9-178.4-109.459.8000114.1
489P36.6Very low29Very low128 Ų128130.4 Ų130.483%0.83179%0.785SS**  cis-134.2-160.21441.6-21.3000117.4
490Q29.7Very low29.5Very low168 Ų168130 Ų13079%0.78579%0.785SS**  trans-117.1156.5-155.4176.7-1752000113.7
491L28.9Very low29.4Very low155 Ų155135.4 Ų135.481%0.81279%0.794SS**  trans145.6110.2149.1-79.5166000109.8
492V29.9Very low29.3Very low128 Ų128134.8 Ų134.878%0.77679%0.786SS**  87.9123.164.6169.80000114.3
493A25.5Very low29.4Very low102 Ų102138 Ų13884%0.84379%0.786SS**  trans-133.7173.7179.400000111.5
494R30.1Very low29.9Very low222 Ų222140.1 Ų140.184%0.83879%0.787SS**  trans-141134.5170.3169.1171.5169.5-86.8-8.1114.2
495G26.3Very low30.1Very low63 Ų63139 Ų13965%0.64978%0.783SS**  trans101.2161.7143.700000117.2
496T27.3Very low30Very low97 Ų97144 Ų14460%0.59579%0.788SS**  cis-161.8142.8-8.55.70000111.4
497D25.9Very low28.6Very low141 Ų141145.4 Ų145.475%0.75480%0.795SS**  trans38.8116.8148.1-46.3-32000122.1
498T26.9Very low28.7Very low147 Ų147141.7 Ų141.790%0.90279%0.787SS**  -165.1168.2120.612.90000111
499V29Very low28.7Very low138 Ų138144.4 Ų144.484%0.83679%0.792SS**  trans-114.6-177.6-159.5-132.80000112.3
500P39.7Very low28.3Very low115 Ų115146.7 Ų146.775%0.74779%0.792SS**  -112.1161.2-117.440.3-26.3000115.6
501Y25.6Very low28.1Very low229 Ų229146.4 Ų146.490%0.89880%0.796SS**  trans-151.8167.1150.7-142.7-97.7000113.2
502E25.8Very low28.1Very low148 Ų148142.9 Ų142.969%0.69280%0.797SS**  trans-83.4160.1-172.4-90-156127.500116.5
503L27.5Very low27.9Very low138 Ų138140.6 Ų140.672%0.72380%0.799SS**  trans58.686.8145.5-66.5167.7000120.1
504L33.9Very low28.1Very low165 Ų165141.5 Ų141.586%0.86480%0.799SS**  trans18.2103.7132.5-166.379.8000119
505P28.3Very low28.7Very low116 Ų116136.3 Ų136.375%0.75380%0.795SS**  trans-84.9124.6163.4-11.929.6000113.7
506K26.4Very low28.8Very low191 Ų191138.3 Ų138.383%0.8380%0.799SS**  trans16.9142.8133.5-63.1172.8179.9174.70118.5
507T25.7Very low28.7Very low139 Ų139140.2 Ų140.285%0.85381%0.81SS**  -175.716483.633.70000110.3
508A26.9Very low29.3Very low87 Ų87139.4 Ų139.472%0.71981%0.812SS**  cis-171.7160.3-26.200000109.3
509K27.1Very low29.1Very low216 Ų216136 Ų13694%0.93981%0.806SS**  trans-156.5158.2151-113.5176.7-177.5-174.80110.1
510Q29.2Very low29Very low175 Ų175135 Ų13582%0.81881%0.805SS**  trans-99.2145.7-165.4-68.8164.6-121.900113.5
511D24.6Very low29.7Very low162 Ų162135.2 Ų135.287%0.86681%0.807SS**  169.2150.7115.6-80.8-23.1000108.6
512G28.2Very low31Very low81 Ų81129.4 Ų129.484%0.83580%0.797SS**  cis161.898.6-8.400000111.9
513G26.5Very low31Very low81 Ų81129 Ų12984%0.83580%0.8SS**  trans158.2135.917500000116.2
514S29.1Very low31.3Very low120 Ų120127.7 Ų127.784%0.83980%0.797SS**  trans-118.5-170.3-179.1-54.10000109.3
515P43.5Very low30.9Very low114 Ų114127 Ų12774%0.7479%0.793SS**  cis-145.1170.65.943.9-23.6000119.6
516S26.9Very low30.8Very low105 Ų105127.8 Ų127.873%0.73479%0.791SS**  trans21127.7139-50.80000124.6
517V26.4Very low30.8Very low136 Ų136122.8 Ų122.882%0.82478%0.78SS**  42.1147105.7-179.80000119.3
518P37.4Very low31Very low125 Ų125124.4 Ų124.481%0.81278%0.78SS**  cis-130.1-169.4-236.9-17.3000115.2
519G24.5Very low31.9Very low74 Ų74126.3 Ų126.376%0.76379%0.785SS**  trans155.6135.8151.800000118.4
520S26Very low32.1Very low118 Ų118125.5 Ų125.583%0.82578%0.782SS**  trans-143.8-173.6172.3-42.10000108.9
521P54.2Low32.2Very low120 Ų120122.7 Ų122.778%0.77978%0.781SS**  -108.5-143.3-54.140.7-24.2000107.9
522P52.1Low32.4Very low106 Ų106118.3 Ų118.369%0.68876%0.764SS**  cis-114.5-167.2-18.243.6-25.4000111.1
523D27.7Very low32.8Very low141 Ų141118.5 Ų118.575%0.75475%0.745SS**  cis-141.8158.132.6-94.5-44.2000116.9
524V31.8Very low33.4Very low110 Ų110119.4 Ų119.467%0.66774%0.735SS**  trans-19.2142158.6-139.50000115.3
525L26.6Very low33.2Very low150 Ų150121.3 Ų121.379%0.78574%0.735SS**  cis-149.4178.226.7-2183.9000110.6
526D26.4Very low33.7Very low132 Ų132120.9 Ų120.971%0.70673%0.733SS**  cis-168178-12-128.7-37.8000106.7
527S26Very low34.3Very low86 Ų86121.8 Ų121.860%0.60174%0.736SS**  cis-152.2169.6-10.7-148.90000110.9
528M29.7Very low34.3Very low174 Ų174124 Ų12486%0.85774%0.737SS**  trans-153.4-174.1-167.4-80.8-62.7150.600110.9
529P47Very low33.7Very low126 Ų126121.6 Ų121.682%0.81873%0.727SS**  cis-141.6-131.813.443-18.9000117.6
530K30.6Very low33.8Very low200 Ų200124.8 Ų124.887%0.8772%0.724SS**  trans-161.6163-152.1-132.6166179.61710114.7
531S30.6Very low33.7Very low116 Ų116120.8 Ų120.881%0.81170%0.698SS**  trans110.9175.4172.377.10000118.1
532S29.9Very low32.8Very low70 Ų70119.5 Ų119.549%0.4968%0.682SS.*  cis-154.6-168.71168.10000115.2P557 G558S532-P557 WeakPolarHBondContact O-CB 3.49Å; S532-G558 WeakPolarHBondContact O-CA 3.29Å; S532-G558 PolarHBondContact O-N 2.91Å
533I35.3Very low32.3Very low85 Ų85118.7 Ų118.744%0.43668%0.676SS.*  trans-125.30-153.9-576.4000116.5G558 V559 P560I533-G558 VanDerWaalsContact CG2-C 3.45Å; I533-V559 VanDerWaalsContact CG1-O 3.24Å; I533-V559 WeakPolarHBondContact CG1-O 3.49Å; I533-P560 HydrophobicContact CB-CB 4.42Å; I533-P560 HydrophobicContact CG1-CB 4.17Å; I533-P560 HydrophobicContact CG2-CB 3.94Å; I533-P560 HydrophobicContact CG2-CG 4.21Å
534P39Very low32.3Very low99 Ų99121.4 Ų121.464%0.64368%0.676SS**  0168.1042.5-19.7000123.9
535L26Very low32.4Very low160 Ų160122.6 Ų122.684%0.83868%0.677SS**  trans67.9161.9146.4-72.8169.6000125.2
536P54.1Low33Very low106 Ų106120.4 Ų120.469%0.68867%0.672SS**  trans-116.8174.3-166.546-37000116.9
537P38.1Very low33.5Very low124 Ų124119 Ų11981%0.80568%0.679SS**  -161.1-162.992.245.4-23.2000118.6
538H26.9Very low33.8Very low183 Ų183121.5 Ų121.585%0.84769%0.685SS**  trans-39.1132.2-177.2-66.4-82.9000124.3
539A25.5Very low33.9Very low73 Ų73120.6 Ų120.660%0.60368%0.679SS**  71.9143.9113.400000126.5
540M25.4Very low33Very low142 Ų142121.6 Ų121.670%0.768%0.677SS**  trans91.2122.2153.4-44.4-51.7-17800122K997M540-K997 WeakPolarHBondContact SD-CE 3.48Å; M540-K997 PolarHBondContact SD-NZ 3.09Å
541A24.1Very low32.9Very low34 Ų34118.7 Ų118.728%0.28168%0.675SS.*  trans68.9107.9143.700000121.3P996 K997A541-P996 HydrophobicContact CB-CB 4.31Å; A541-P996 HydrophobicContact CB-CG 3.72Å; A541-P996 WeakPolarHBondContact CB-O 3.35Å; A541-K997 HydrophobicContact CB-CG 3.99Å
542H36Very low32.7Very low92 Ų92116.6 Ų116.643%0.42667%0.673SS.*  66.3130.767-60.4-32.2000114.9P996 W998 P999H542-P996 VanDerWaalsContact O-CB 3.28Å; H542-P996 WeakPolarHBondContact O-CB 3.43Å; H542-P996 WeakPolarHBondContact O-CG 3.4Å; H542-W998 VanDerWaalsContact CB-N 3.29Å; H542-W998 WeakPolarHBondContact CB-O 3.42Å; H542-W998 PolarHBondContact CD2-N 3.43Å; H542-W998 VanDerWaalsContact CD2-N 3.3Å; H542-P999 PolarHBondContact CE1-O 3.1Å
543P41.1Very low32.5Very low89 Ų89119.6 Ų119.658%0.57869%0.687SS**  cis-148.6149.24840.1-20.4000119.6W998P543-W998 WeakPolarHBondContact CA-O 3.32Å; P543-W998 WeakPolarHBondContact CB-O 3.36Å
544R28.5Very low32.2Very low198 Ų198124 Ų12475%0.74770%0.704SS**  trans67.6168.8153.3-68175.9171.2-164.3-1.8116.5
545I32.9Very low31.4Very low135 Ų135127.6 Ų127.669%0.69271%0.712SS**  cis-169152.3-21.7-105.2172.1000108.2
546P40.8Very low31.9Very low104 Ų104128.2 Ų128.268%0.67571%0.714SS**  cis-132.6109.4-24.237.1-16.9000114.6
547A36.4Very low31.8Very low102 Ų102128.1 Ų128.184%0.84371%0.713SS**  trans56.6101.6153.600000121.4
548D32.7Very low31.3Very low139 Ų139124.1 Ų124.174%0.74369%0.694SS**  trans-147.2149.4168.2-92.4-37.5000116.1
549H31.2Very low31.7Very low156 Ų156121.7 Ų121.772%0.72269%0.692SS**  trans38.4126.1147.4-49.4-20.3000127.4
550L28.6Very low32.1Very low147 Ų147122.1 Ų122.177%0.7769%0.688SS**  60.1121122.8-59.7170.4000126.5
551T28.2Very low32.2Very low138 Ų138127.3 Ų127.385%0.84770%0.7SS**  trans62.4129135.858.50000125.2
552G26Very low32.3Very low73 Ų73129.1 Ų129.175%0.75372%0.723SS**  trans150.792.8143.900000124
553V26Very low31.8Very low132 Ų132130.4 Ų130.480%0.874%0.742SS**  trans59.7116.1131.8-174.80000124.8
554K28.1Very low32Very low179 Ų179131.7 Ų131.778%0.77875%0.75SS**  trans84.6147143.9-81175-176.7-179.90126.4
555H23.7Very low31.8Very low174 Ų174128 Ų12881%0.80675%0.749SS**  trans70.3139.7164.1-63.9-71.7000120.2
556I34.6Very low31.4Very low173 Ų173132 Ų13289%0.88776%0.757SS**  trans-156.5132.7-176.8-42.8176.7000113.3
557P53.8Low30.8Very low104 Ų104132.2 Ų132.268%0.67576%0.759SS**  trans-145160.9170.542.8-26.8000118.8S532S532-P557 WeakPolarHBondContact O-CB 3.49Å
558G26.7Very low30.3Very low39 Ų39136.2 Ų136.240%0.40276%0.76SS.*  trans113115.4140.800000124.1S532 I533S532-G558 WeakPolarHBondContact O-CA 3.29Å; S532-G558 PolarHBondContact O-N 2.91Å; I533-G558 VanDerWaalsContact CG2-C 3.45Å
559V35.9Very low30.4Very low133 Ų133134.8 Ų134.881%0.80676%0.758SS**  trans-131.5137.9169.9-175.10000113.7I533I533-V559 VanDerWaalsContact CG1-O 3.24Å; I533-V559 WeakPolarHBondContact CG1-O 3.49Å
560P33.3Very low30.7Very low81 Ų81135.8 Ų135.853%0.52676%0.763SS.*  trans-109.7-170.8-167.941.7-36.7000118.6I533I533-P560 HydrophobicContact CB-CB 4.42Å; I533-P560 HydrophobicContact CG1-CB 4.17Å; I533-P560 HydrophobicContact CG2-CB 3.94Å; I533-P560 HydrophobicContact CG2-CG 4.21Å
561R27.7Very low31.1Very low251 Ų251134.5 Ų134.595%0.94776%0.764SS**  trans-99158.2168.4-76.8175166.1157.7-5.7111.4
562G26.5Very low31.1Very low73 Ų73137.9 Ų137.975%0.75376%0.761SS**  cis-173.9-171.32.200000114.4
563S25.8Very low31.2Very low118 Ų118140.5 Ų140.583%0.82576%0.757SS**  trans-103.5-169.1-172.4-310000111.7
564P44Very low31.4Very low116 Ų116141 Ų14175%0.75376%0.761SS**  cis-139.7-162.9-3.224.73.1000114.9
565V24.3Very low31.4Very low120 Ų120142.8 Ų142.873%0.72776%0.764SS**  trans104.1110148.1-174.90000120.2
566Y24.4Very low31.6Very low219 Ų219141.6 Ų141.686%0.85976%0.763SS**  trans73.4166.9149.8-89.9-42.3000121.8
567P29.4Very low31.3Very low109 Ų109140.7 Ų140.771%0.70876%0.759SS**  trans-112.4176.2-133.344.1-33.6000113.9
568Q25Very low30.3Very low186 Ų186146.3 Ų146.387%0.86977%0.767SS**  trans-118.9119.9173.8-154.1-176.510.300112.9
569P34.4Very low30.7Very low109 Ų109149.8 Ų149.871%0.70878%0.782SS**  trans-84.8176.6162.735.2-33.1000112.1
570Q38.3Very low30.7Very low177 Ų177148.8 Ų148.883%0.82778%0.779SS**  trans-66.9168.2-178.9-58-177.7-4.300113.3
571P37.2Very low31.5Very low120 Ų120150.8 Ų150.878%0.77979%0.792SS**  -141.2-174100.839.7-26.9000114.9
572R28.3Very low31.4Very low210 Ų210143.8 Ų143.879%0.79279%0.787SS**  trans-71.4179.1162.5-53.6179171.9-164.4-1.2109.9
573D27.5Very low31.4Very low127 Ų127146.1 Ų146.168%0.67979%0.792SS**  cis-158.6173.142.4-89.4-57.5000113
574V29.9Very low31.6Very low143 Ų143149.3 Ų149.387%0.86779%0.794SS**PPolyproline II helixtrans-102.2130.6172.1176.70000109
575Y28.1Very low30.6Very low217 Ų217155 Ų15585%0.85180%0.802SS**PPolyproline II helixtrans-97.1135.7178.8-90.9-82.2000113.6
576D29.4Very low30.5Very low148 Ų148157.7 Ų157.779%0.79181%0.807SS**PPolyproline II helixtrans-92.9159174.4-168.81.9000110.3
577I28.1Very low31.9Very low154 Ų154151.8 Ų151.879%0.7980%0.795SS**  trans-132.4121.4179.5-63.9-175.7000111.7
578R33.2Very low32.2Very low222 Ų222152.8 Ų152.884%0.83880%0.802SS**  trans-138.5131.4176.4174.9-160.7-75.1-176.1-5.3111.5
579P34.2Very low32.3Very low112 Ų112152.2 Ų152.273%0.72780%0.799SS**  trans-107.1166.6152.8-3.525.4000113
580P35.8Very low31.9Very low113 Ų113157.5 Ų157.573%0.73481%0.806SS**  trans-131.3-137.6-13941.5-19.3000116
581P50.6Low31.9Very low123 Ų123154.5 Ų154.580%0.79980%0.802SS**  -138.7168.9-119.341.8-20.5000119.4
582A25.7Very low31.4Very low103 Ų103152.8 Ų152.885%0.85181%0.806SS**  trans-179.3152.9153.800000109.4
583S26.4Very low31.3Very low122 Ų122146.7 Ų146.785%0.85381%0.809SS**  cis-150.1-179.5-7.252.50000110.1
584Q29.1Very low31.6Very low185 Ų185151.6 Ų151.686%0.86482%0.819SS**  trans-110.1158-171.8-59.3167.6-48.800113.7
585Y23.3Very low31.8Very low237 Ų237151 Ų15193%0.92982%0.818SS**  trans-163.2167.8135.1-129.7-95.1000113
586E22.4Very low31.7Very low176 Ų176150.8 Ų150.882%0.82282%0.817SS**  trans-119.5-174-166.4-113.1-155.975.200114.4
587P54.6Low31.5Very low95 Ų95152.5 Ų152.562%0.61782%0.82SS**  trans-105.1-171.3-148.543.9-39.1000115.8
588P35.3Very low31.4Very low130 Ų130153.5 Ų153.584%0.84482%0.822SS**  -144-155116.739.2-23.1000115.4
589Q26.7Very low32Very low173 Ų173147.9 Ų147.981%0.80881%0.814SS**  trans-131.3146.1-150-57.5173-2.700116.3
590Y25.6Very low31.5Very low221 Ų221149.4 Ų149.487%0.86782%0.822SS**  trans56.1176.4152.6-89.5-85.1000118.8
591P39.7Very low31.1Very low114 Ų114150.7 Ų150.774%0.7482%0.818SS**  cis-132.6160-18.635.7-18000117.5
592G26.1Very low29.9Very low83 Ų83153.9 Ų153.986%0.85682%0.815SS**  75.1148.2128.800000123
593G25.2Very low29.9Very low83 Ų83154.9 Ų154.986%0.85681%0.811SS**  trans142.8118.6159.800000117.1
594Y34.1Very low29.9Very low230 Ų230158.3 Ų158.390%0.90281%0.805SS**  trans-102156.8157.1-94.7-87000108.7
595P34.4Very low29.7Very low129 Ų129156.3 Ų156.384%0.83880%0.796SS**  -140.8-179.5117.337.8-25000115.4
596Y26.1Very low30.2Very low213 Ų213155.8 Ų155.884%0.83579%0.793SS**  trans-109.2150.1-169.6-137.5-95.8000109.9
597Q24.2Very low30.5Very low184 Ų184156 Ų15686%0.8680%0.798SS**  163.7164.4126.1-89-175.56.800115.8
598Q26Very low29.2Very low176 Ų176161.5 Ų161.582%0.82281%0.807SS**  trans-96.5-151.6176.3-44.5172.2-49.400109.1
599P46.5Very low28.9Very low104 Ų104161.7 Ų161.768%0.67580%0.801SS**  cis-130.5-172.8-2226.7-2.8000114.2
600T24.9Very low29.3Very low144 Ų144159 Ų15988%0.88380%0.798SS**  trans-148.7162.3167.4-380000109.1
601Q25.4Very low30.4Very low140 Ų140153.7 Ų153.765%0.65479%0.791SS**  trans-147.2172.9-169.3-70.2-173.1-26.300114.2
602Y25.9Very low31.2Very low190 Ų190154 Ų15475%0.74579%0.792SS**  trans81.4122169.2-55.4-79.1000117
603V25.3Very low31.8Very low124 Ų124156.1 Ų156.175%0.75279%0.791SS**  cis82.5125.645.8174.70000109.9
604R26.3Very low32.3Very low193 Ų193157.5 Ų157.573%0.72879%0.788SS**  -168.9145.166.9-153169.3176.2-151.6-19.8116.9
605E24.8Very low32Very low144 Ų144155.3 Ų155.367%0.67379%0.786SS**  trans55.8157.4145.9-76.6159.3-152.800126.6
606Y34.5Very low31.8Very low225 Ų225153.9 Ų153.988%0.88278%0.779SS**  trans-98.8163.1171-61.8-107.5000111.2
607I28.6Very low31.8Very low180 Ų180147 Ų14792%0.92377%0.773SS**  trans-146.4164.6153.9-106153.5000110
608R27.2Very low32.8Very low212 Ų212144.4 Ų144.480%0.877%0.772SS**  trans-150.9139-142.5-178.1-170.9-170.1-163.37.8114.5
609N28.9Very low33.5Very low134 Ų134141.5 Ų141.572%0.71777%0.769SS**  trans64.6172.8164.1-70.413.3000116.3
610P35.9Very low32.6Very low117 Ų117146.6 Ų146.676%0.7678%0.776SS**  cis-130.8178.32.540.7-23.1000117.2
611P47.8Very low32.7Very low109 Ų109148.6 Ų148.671%0.70878%0.775SS**  trans-112.8-161.5168.244.3-34.6000111.8
612P57.8Low32.8Very low119 Ų119146.6 Ų146.677%0.77377%0.769SS**  cis-107.9-144.1-38.436.4-16.7000109.5
613P38.9Very low33.1Very low128 Ų128143.4 Ų143.483%0.83177%0.771SS**  -143.5-160.152.441.8-19.3000115.3
614S35.2Very low33.2Very low112 Ų112146.7 Ų146.778%0.78377%0.771SS**  trans-138.7148.1-171.856.40000113.5
615E27.8Very low33.2Very low184 Ų184143.5 Ų143.586%0.8678%0.778SS**  trans-161165.6173.8-86.6-14985.400110.3
616S29.7Very low33.3Very low100 Ų100140.1 Ų140.170%0.69978%0.783SS**  cis-167.5160-34.353.80000108.1
617G27Very low33Very low69 Ų69140.2 Ų140.271%0.71178%0.783SS**  trans-116.1-160.2-175.200000114.6
618P45.2Very low32.9Very low129 Ų129136 Ų13684%0.83877%0.769SS**  cis-108.6-101.1224.8-1.2000113.5
619P39.8Very low33.1Very low115 Ų115132.3 Ų132.375%0.74777%0.771SS**  cis-118.6-129.4-0.842.5-24.2000114.1
620Y27.1Very low34Very low211 Ų211131 Ų13183%0.82777%0.769SS**  trans-144.7148.2-179.5-111.2-106.8000111.7
621H27.4Very low33.5Very low186 Ų186132.9 Ų132.986%0.86177%0.773SS**  -169.9143.3114.8-120.4-77.6000114.6
622D27Very low32.8Very low98 Ų98137 Ų13752%0.52477%0.774SS.*  trans-114.8157.1169.416768.5000109.8Y624D622-Y624 PolarHBondContact OD1-N 2.99Å; D622-Y624 WeakPolarHBondContact OD2-CD2 3.5Å; D622-Y624 PolarHBondContact OD2-N 3.4Å
623P33.3Very low31.5Very low123 Ų123137 Ų13780%0.79978%0.775SS**  trans-138.8105.6137.334.8-18.8000115.1
624Y26.4Very low30.9Very low193 Ų193140 Ų14076%0.75777%0.771SS**  trans-5.1132.6147.4-96.6-102.2000118.5D622D622-Y624 PolarHBondContact OD1-N 2.99Å; D622-Y624 WeakPolarHBondContact OD2-CD2 3.5Å; D622-Y624 PolarHBondContact OD2-N 3.4Å
625S27.3Very low31.6Very low125 Ų125140.1 Ų140.187%0.87477%0.768SS**  -178.2122.6108.7-80.50000113.6
626G26.2Very low31.7Very low74 Ų74135.5 Ų135.576%0.76376%0.757SS**  trans172.5104.1172.900000111.4
627Y29.3Very low31.7Very low227 Ų227138.5 Ų138.589%0.8976%0.76SS**  trans-82.1162.4-165.7-105.1-98.7000115.3
628S24.9Very low31.8Very low91 Ų91142.8 Ų142.864%0.63676%0.761SS**  trans-108.1137.7-17325.90000114.5
629T32.1Very low31Very low135 Ų135142.5 Ų142.583%0.82876%0.762SS**  trans61.5177153.356.30000117.5
630P48Very low30.6Very low105 Ų105140.1 Ų140.168%0.68276%0.758SS**  cis-128.3-169.4-12.930.8-8.5000114.4
631D24.9Very low31.9Very low157 Ų157136.2 Ų136.284%0.8476%0.759SS**  trans84.9168.3138.8-104-57.4000124.3
632R34.5Very low32.4Very low195 Ų195132.9 Ų132.974%0.73675%0.754SS**  trans-130151-158.9175-170.4-176.5-172.43.8112.5
633P30.1Very low33Very low120 Ų120137.7 Ų137.778%0.77977%0.77SS**  trans-130.7159149.133.1-18.7000115.9
634Y26.1Very low33.3Very low192 Ų192137.2 Ų137.275%0.75377%0.767SS**  trans-116.5-174.4163.4-134.5-126.9000106.3
635P50Low33.3Very low113 Ų113138.4 Ų138.473%0.73477%0.772SS**  cis-110.4-154.60.136.8-17.4000111.4
636S29Very low33Very low88 Ų88137.6 Ų137.662%0.61577%0.766SS**  cis-161.7-178.414610000109.5
637Q29.5Very low33Very low163 Ų163142.7 Ų142.776%0.76277%0.77SS**  cis-135.5169.810.1-84.3-159.440.800113.8
638H30.7Very low33.5Very low158 Ų158137 Ų13773%0.73176%0.761SS**  trans-40.2154.6156.4-39.9-59.1000115.3
639S28.3Very low33.6Very low123 Ų123137 Ų13786%0.8676%0.761SS**  cis-174.8168.1-5.241.60000108.2
640G30.7Very low33.6Very low65 Ų65138.6 Ų138.667%0.6776%0.758SS**  cis176.3-171.44.100000112.5
641P54.8Low32.7Very low129 Ų129143.7 Ų143.784%0.83877%0.766SS**  trans-80177.717636.8-38000112.5
642P37.5Very low32.9Very low117 Ų117140.7 Ų140.776%0.7675%0.75SS**  cis-140.5-1651944.4-24.4000117.1
643F39.2Very low32.6Very low199 Ų199141 Ų14187%0.87375%0.751SS**  trans-93.9-172.5166.3-44.7-63.4000110.4
644P40.4Very low32.5Very low112 Ų112138 Ų13873%0.72774%0.742SS**  cis-141.7-162.75.344.9-24.7000116.4
645Y25.6Very low32.8Very low219 Ų219135.5 Ų135.586%0.85974%0.736SS**  trans71.7149.3167.7-102.7-86.1000118.9
646S21.6Very low31.8Very low108 Ų108138.2 Ų138.276%0.75574%0.739SS**  trans71141.1152.5-580000123.2
647H27Very low31.8Very low180 Ų180138.9 Ų138.983%0.83374%0.744SS**  trans-71.6174.6153.2-81-74.1000111
648P38.5Very low31.7Very low109 Ų109137.8 Ų137.871%0.70875%0.748SS**  cis-140.5162.513.241.4-22.4000119.4
649S27.5Very low31.7Very low91 Ų91140.4 Ų140.464%0.63675%0.753SS**  trans37.5157.4132.2-48.60000127.2
650H31.4Very low31.8Very low167 Ų167141 Ų14177%0.77375%0.747SS**  trans89.6135.3161-55.6-72000117.4
651Y28.8Very low31.8Very low213 Ų213144.5 Ų144.584%0.83576%0.755SS**  cis-113.4143.238.1-94.1-119.7000114.1
652D29.1Very low32.3Very low94 Ų94143.8 Ų143.850%0.50375%0.75SS.*  77.6139.472-145.834.1000111.8
653R29.2Very low32.8Very low202 Ų202143.9 Ų143.976%0.76275%0.751SS**  cis-161.2150.915.2-159169.4-162.1153.3-5.3109.1
654G27.5Very low33.1Very low57 Ų57140 Ų14059%0.58875%0.746SS**  cis170.9174.4-9.300000112
655H32.3Very low33.9Very low139 Ų139140.2 Ų140.264%0.64475%0.747SS**  trans68.1145.6151.8-53.4-48.8000120.1
656H29.8Very low35Very low169 Ų169135.8 Ų135.878%0.78275%0.745SS**  cis-138.8175.98.4-95.8-55.8000114
657S27.6Very low35.6Very low103 Ų103138.7 Ų138.772%0.7275%0.747SS**  trans-66.8180-175.7-34.50000115.3
658T29Very low36.4Very low140 Ų140135.3 Ų135.386%0.85974%0.741SS**  -167.2170.656.7-440000114.1
659Y30.6Very low36.3Very low212 Ų212140.4 Ų140.483%0.83175%0.747SS**  trans-102.8175.1-173.8-109.3-108.3000114.5
660N29.2Very low37Very low137 Ų137141.1 Ų141.173%0.73375%0.75SS**  trans99.3109.7149.4-66.6-21000123.5
661V31.8Very low36.9Very low137 Ų137138 Ų13883%0.8375%0.747SS**  trans23.1143139.6-101.10000125.1
662P64.6Low36.9Very low114 Ų114135.2 Ų135.274%0.7474%0.741SS**  trans-109.6166.8-178.242-33.9000117.4
663P48.2Very low36.9Very low120 Ų120141.3 Ų141.378%0.77976%0.757SS**  -131.6-161.4124.240.3-29.3000110.5
664P44.8Very low37Very low117 Ų117139 Ų13976%0.7676%0.76SS**  cis-127.7-176-16.941.9-25.1000114.7
665P57.3Low37.8Very low116 Ų116141.8 Ų141.875%0.75377%0.768SS**  trans-106.9166.6171.741.8-35.3000114
666P48.3Very low37.9Very low126 Ų126142.3 Ų142.382%0.81878%0.775SS**  -155-179.486.842.3-21.8000118.8
667Q34.7Very low37.9Very low169 Ų169140.4 Ų140.479%0.7977%0.77SS**  trans-22171.3160.5-68.7-78.4-26.700120.6
668P43.8Very low38.2Very low109 Ų109141.6 Ų141.671%0.70877%0.773SS**  cis-138.9176.412.644.5-27.2000118.9
669Y36.3Very low38.9Very low216 Ų216140.1 Ų140.185%0.84777%0.765SS**  trans-82.4161.6154.5-107.5-92.5000110.9
670P41.8Very low40.2Very low107 Ų107135.5 Ų135.570%0.69576%0.761SS**  -154.3157.4113.437.6-20000118.2
671S29.8Very low41Very low100 Ų100134.3 Ų134.370%0.69976%0.761SS**  trans55.7131146.5-58.90000121.8
672Q30Very low40.9Very low155 Ų155133.2 Ų133.272%0.72476%0.76SS**  cis85.4113.538-173.8-154.979.800114.3
673R27.8Very low39.2Very low222 Ų222132.8 Ų132.884%0.83877%0.766SS**  trans167.9133.9131.6-92.2163.3-165.3-158.42.9113.3
674D32Very low38.3Very low154 Ų154130.4 Ų130.482%0.82476%0.763SS**  trans-74.3168.8160.6-42.8-95.5000110.8
675P43.8Very low37.5Very low115 Ų115134.2 Ų134.275%0.74777%0.771SS**  -156.9150.387.238.2-17.4000119.9
676L34Very low36Very low151 Ų151132.4 Ų132.479%0.79177%0.765SS**  trans80.3143.8136.8-71.1169.1000125.9
677D30.4Very low35Very low129 Ų129133.9 Ų133.969%0.6977%0.766SS**  trans83.3101.2143.4-69.5-20.3000127.1
678V33.3Very low34.6Very low127 Ų127130.2 Ų130.277%0.7776%0.76SS**  85.3141118.2169.20000121.5
679P44.1Very low33.8Very low109 Ų109131.5 Ų131.571%0.70876%0.76SS**  trans-108.5-160.6-172.845.1-32.7000112.1
680P57.9Low33.5Very low115 Ų115129.9 Ų129.975%0.74775%0.753SS**  cis-133-144.510.142.4-18.2000112.3
681P45.6Very low32.9Very low113 Ų113131.6 Ų131.673%0.73475%0.752SS**  cis-138.6160.6-1040-20000120
682S30.2Very low32.7Very low113 Ų113133.9 Ų133.979%0.7975%0.751SS**  trans23.3124.6138.3-50.60000126.8
683A29.6Very low32.4Very low105 Ų105133.7 Ų133.787%0.86875%0.75SS**  81.7153.8123.400000123.7
684G27.7Very low32.3Very low70 Ų70126.6 Ų126.672%0.72274%0.739SS**  trans93.7127-176.600000112.5
685Q28.6Very low32Very low198 Ų198124.8 Ų124.893%0.92574%0.739SS**  cis60.3136.725.8-64.4-172.1-13.700115.8
686A25.3Very low31.4Very low77 Ų77124.4 Ų124.464%0.63674%0.739SS**  cis-171.6150.7-22.300000110
687N27.6Very low31.1Very low157 Ų157127.5 Ų127.584%0.8474%0.74SS**  trans63.9159.2165.7-59.5-9.9000116.4
688S27.6Very low31Very low93 Ų93126.3 Ų126.365%0.6573%0.734SS**  cis-161.5143.87.8-128.80000114.1
689L27.3Very low30.9Very low135 Ų135128 Ų12871%0.70773%0.727SS**  trans59.8128.4135.6-64.1173.6000126.8
690Y28.5Very low30.1Very low182 Ų182132.8 Ų132.871%0.71473%0.732SS**  96.8127.3128.8-82.9-45.8000126.1
691H29.1Very low29.1Very low144 Ų144131.4 Ų131.467%0.66773%0.73SS**  trans51.2145.3150.3-67.4-69.5000121.4
692Q25.3Very low28.9Very low148 Ų148131.3 Ų131.369%0.69273%0.73SS**  cis-159.3-138.3-26.1-148.2169.8-65.100108.1
693E24.6Very low28.8Very low150 Ų150133.6 Ų133.670%0.70173%0.733SS**  cis-162.2169.8-3.8-136.9-43.675.400112.6
694A25.7Very low28.8Very low73 Ų73131.6 Ų131.660%0.60372%0.722SS**  trans70.899.6148.400000125.3
695S25.9Very low28.8Very low116 Ų116139.4 Ų139.481%0.81173%0.732SS**  45.5132.4123.9-162.10000125.1
696S30.2Very low28.9Very low108 Ų108140.7 Ų140.776%0.75573%0.73SS**  169139.8108.951.40000119.6
697R29.1Very low29.9Very low215 Ų215142.4 Ų142.481%0.81173%0.734SS**  trans68.3133.7138.3-77.1-175.1108.5120.28.5128.4
698D28.5Very low30.7Very low105 Ų105140.8 Ų140.856%0.56173%0.732SS**  99107.7126.5-80.7-36.4000126.8
699R30.6Very low30.7Very low163 Ų163139.4 Ų139.462%0.61573%0.733SS**  75.8145.8122.1-84.9175.6164.5174-5.3127.2E1056R699-E1056 IonicContact CZ-OE1 2.76Å; R699-E1056 IonicContact NH2-OE1 3.21Å; R699-E1056 PolarHBondContact NH2-OE1 3.35Å
700Y27.6Very low30.8Very low208 Ų208139 Ų13982%0.81674%0.741SS**  trans92.2144.7153.5-83.5-66000124.5
701A35.7Very low30.8Very low87 Ų87139.5 Ų139.572%0.71975%0.75SS**  trans-165.2163.317800000111.8
702P41.8Very low31Very low111 Ų111138.1 Ų138.172%0.72175%0.754SS**  trans-149.6174.7148.240.1-23.1000117.9
703D29.4Very low31.6Very low161 Ų161136.5 Ų136.586%0.86176%0.756SS**  trans66.6148.6162.5-56.2-37.9000121.2
704G27.8Very low32.8Very low62 Ų62135.1 Ų135.164%0.63976%0.76SS**  cis167.6155-9.900000115.2
705Y28.7Very low32.7Very low235 Ų235139.9 Ų139.992%0.92277%0.772SS**  trans80.5155.7169.1-65.2-88.1000122.3
706Y30.5Very low32.9Very low225 Ų225145.1 Ų145.188%0.88277%0.774SS**  trans-152.9-165.4-168.2-114.6-115.6000108.3
707P45.5Very low32.7Very low112 Ų112145.2 Ų145.273%0.72777%0.77SS**  cis-123.6-93.3-1.619.57.2000120.4
708P44.6Very low32.6Very low123 Ų123145 Ų14580%0.79977%0.771SS**  trans-130161.5-131.642.2-25.2000120.1
709G27.6Very low32.6Very low65 Ų65146.1 Ų146.167%0.6778%0.781SS**  trans164.8111.4156.600000119.3
710S29.4Very low32.5Very low126 Ų126149.7 Ų149.788%0.88180%0.795SS**  trans46.9145.2150.750.40000124
711Q29.4Very low32.6Very low192 Ų192143 Ų14390%0.89779%0.79SS**  trans-77.9157-176.6-63.1-176.1-12.100116.3
712P32.4Very low32.3Very low116 Ų116144 Ų14475%0.75379%0.791SS**  -140.8164.512739.5-28.2000115.3
713P39Very low31.7Very low114 Ų114145.8 Ų145.874%0.7479%0.79SS**  trans-103.4-170.5176.346.5-39.1000111.6
714P48.8Very low31.8Very low120 Ų120148.7 Ų148.778%0.77979%0.79SS**  -131.3139-100.232.5-11.5000116.9
715M24.1Very low32Very low174 Ų174151.4 Ų151.486%0.85780%0.8SS**  trans-153.7106.9164.2-101.1-65.7-177.800114.6
716R29.5Very low32.1Very low226 Ų226144 Ų14485%0.85379%0.794SS**  trans49.4124.2134.6-107.8-178.5-173.1-178.12.7123.7
717T25.8Very low32.5Very low110 Ų110138.5 Ų138.568%0.67579%0.789SS**  trans111.2145.5132.3-24.70000119.5
718Y27.1Very low32.3Very low211 Ų211141.5 Ų141.583%0.82779%0.793SS**  trans73.6149.9175.1-70.5-94.4000118
719V29.5Very low32.7Very low127 Ų127138.6 Ų138.677%0.7777%0.774SS**  cis-178139.5-43.1126.50000110.2
720R29.3Very low34.6Very low238 Ų238138.8 Ų138.890%0.89877%0.765SS**  trans168.4135.4141.5176.9165.7-79.5-157.7-3.7111.4
721G28.8Very low35.9Very low69 Ų69138.7 Ų138.771%0.71175%0.754SS**  trans-89.2-179.6175.200000113.3
722S28.7Very low37.7Very low106 Ų106135.5 Ų135.574%0.74174%0.743SS**  cis-155.317948.2-139.40000110.1
723Q30.2Very low39.9Very low149 Ų149136.3 Ų136.370%0.69673%0.732SS**  cis-156.9-179.518.2-151.1144.192.600111
724Y30.8Very low41.4Very low222 Ų222135.2 Ų135.287%0.87172%0.72SS**  trans66.167.1175.4-62.9-76.5000118.6
725S32.2Very low42.3Very low120 Ų120134.7 Ų134.784%0.83971%0.706SS**  trans-145.3136.4146.6-1760000110.1S727S725-S727 PolarHBondContact O-N 3.17Å
726G31.8Very low44.8Very low78 Ų78134.9 Ų134.980%0.80470%0.698SS**  trans-82.999.5-17700000112.1
727S38.1Very low47Very low111 Ų111129.6 Ų129.678%0.77668%0.678SS**PPolyproline II helixtrans-68.4135.4-179.556.40000113.2S725S725-S727 PolarHBondContact O-N 3.17Å
728Q40.6Very low49.3Very low175 Ų175132.1 Ų132.182%0.81868%0.675SS**PPolyproline II helixtrans-58.3142.6167.4-73.4-74.5-26.700111.3
729P53.1Low51.1Low62 Ų62128.9 Ų128.940%0.40367%0.667SS.*PPolyproline II helixtrans-68.8145.9176.928.5-34.2000112Y733 L734P729-Y733 HydrophobicContact CB-CD1 3.64Å; P729-Y733 HydrophobicContact CB-CE1 4.13Å; P729-Y733 HydrophobicContact CB-CG 4.43Å; P729-L734 HydrophobicContact CB-CD2 4.4Å; P729-L734 HydrophobicContact CB-CG 4.46Å; P729-L734 HydrophobicContact CG-CD1 4.5Å; P729-L734 HydrophobicContact CG-CD2 4.02Å; P729-L734 HydrophobicContact CG-CG 4.33Å
730S66.9Low53.2Low68 Ų68126.4 Ų126.448%0.47665%0.647SS.*PPolyproline II helixtrans-71.2158.4179.573.90000113D732 Y733 L734S730-D732 VanDerWaalsContact C-N 3.26Å; S730-D732 PolarHBondContact O-N 3.09Å; S730-Y733 WeakPolarHBondContact O-CB 3.34Å; S730-Y733 PolarHBondContact O-N 3.31Å; S730-Y733 VanDerWaalsContact O-N 3.14Å; S730-Y733 PolarHBondContact OG-N 3.1Å; S730-L734 WeakPolarHBondContact O-CG 3.34Å; S730-L734 PolarHBondContact O-N 3.46Å
731L58.6Low55.1Low125 Ų125119.3 Ų119.365%0.65463%0.627SS**Hα-helixtrans-58.7-38.4177.8-125.8172.3000111.9L734 H735L731-L734 PolarHBondContact O-N 2.82Å; L731-H735 PolarHBondContact O-N 2.98Å
732D65.8Low56.7Low124 Ų124121.1 Ų121.166%0.66362%0.62SS**Hα-helixtrans-69-35.5176.7-52.5-73000113S730 H735 R736S730-D732 VanDerWaalsContact C-N 3.26Å; S730-D732 PolarHBondContact O-N 3.09Å; D732-H735 PolarHBondContact O-N 3.26Å; D732-R736 VanDerWaalsContact O-CB 3.31Å; D732-R736 WeakPolarHBondContact O-CB 3.28Å; D732-R736 PolarHBondContact O-N 2.9Å
733Y78.6Confident58.4Low133 Ų133118.8 Ų118.852%0.52260%0.603SS.*Hα-helixtrans-64.8-43171.9177.3-90.1000110.5P729 S730 R736 R737P729-Y733 HydrophobicContact CB-CD1 3.64Å; P729-Y733 HydrophobicContact CB-CE1 4.13Å; P729-Y733 HydrophobicContact CB-CG 4.43Å; S730-Y733 WeakPolarHBondContact O-CB 3.34Å; S730-Y733 PolarHBondContact O-N 3.31Å; S730-Y733 VanDerWaalsContact O-N 3.14Å; S730-Y733 PolarHBondContact OG-N 3.1Å; Y733-R736 PolarHBondContact O-N 2.86Å; Y733-R737 WeakPolarHBondContact O-CB 3.49Å; Y733-R737 PolarHBondContact O-N 3.36Å
734L70.4Confident59.7Low91 Ų91114.9 Ų114.948%0.47659%0.585SS.*Hα-helixtrans-65.4-38.8175.6-66.1174.3000112.3P729 S730 L731 R738P729-L734 HydrophobicContact CB-CD2 4.4Å; P729-L734 HydrophobicContact CB-CG 4.46Å; P729-L734 HydrophobicContact CG-CD1 4.5Å; P729-L734 HydrophobicContact CG-CD2 4.02Å; P729-L734 HydrophobicContact CG-CG 4.33Å; S730-L734 WeakPolarHBondContact O-CG 3.34Å; S730-L734 PolarHBondContact O-N 3.46Å; L731-L734 PolarHBondContact O-N 2.82Å; L734-R738 VanDerWaalsContact O-CB 3.31Å; L734-R738 WeakPolarHBondContact O-CB 3.29Å; L734-R738 PolarHBondContact O-N 2.88Å
735H67.8Low60.9Low109 Ų109109.8 Ų109.851%0.50557%0.572SS.*Hα-helixtrans-65-46.5173.2-96.6-106.2000112.3L731 D732 R737 R738 Q739L731-H735 PolarHBondContact O-N 2.98Å; D732-H735 PolarHBondContact O-N 3.26Å; H735-R737 VanDerWaalsContact C-N 3.34Å; H735-R737 PolarHBondContact O-N 2.74Å; H735-R738 WeakPolarHBondContact O-CB 3.5Å; H735-R738 PolarHBondContact O-N 3.41Å; H735-Q739 PolarHBondContact O-N 3.45Å
736R78Confident62Low178 Ų178107.4 Ų107.467%0.67256%0.559SS**Hα-helixtrans-61.2-43.4175.6-170.2175.2-61.6-138.6-0.8111.3D732 Y733 R738 Q739 E740D732-R736 VanDerWaalsContact O-CB 3.31Å; D732-R736 WeakPolarHBondContact O-CB 3.28Å; D732-R736 PolarHBondContact O-N 2.9Å; Y733-R736 PolarHBondContact O-N 2.86Å; R736-R738 PolarHBondContact O-N 3.3Å; R736-Q739 WeakPolarHBondContact O-CA 3.34Å; R736-Q739 WeakPolarHBondContact O-CB 3.33Å; R736-Q739 PolarHBondContact O-N 3.1Å; R736-E740 PolarHBondContact O-N 2.96Å
737R74.1Confident62.8Low115 Ų115111.1 Ų111.143%0.43456%0.556SS.*Hα-helixtrans-65.5-35.9177.1-168.755.1164.2-169.4-3.7112.7Y733 H735 Q739 E740 L741Y733-R737 WeakPolarHBondContact O-CB 3.49Å; Y733-R737 PolarHBondContact O-N 3.36Å; H735-R737 VanDerWaalsContact C-N 3.34Å; H735-R737 PolarHBondContact O-N 2.74Å; R737-Q739 VanDerWaalsContact C-N 3.3Å; R737-E740 WeakPolarHBondContact CD-OE2 3.28Å; R737-E740 IonicContact CZ-OE2 3.25Å; R737-E740 IonicContact NE-OE2 2.7Å; R737-E740 IonicContact NH1-OE2 3.74Å; R737-E740 PolarHBondContact NH1-OE2 3.17Å; R737-L741 HydrophobicContact CG-CD1 4.45Å; R737-L741 WeakPolarHBondContact O-CB 3.24Å; R737-L741 VanDerWaalsContact O-CG 3.26Å; R737-L741 WeakPolarHBondContact O-CG 3.47Å; R737-L741 PolarHBondContact O-N 3.37Å
738R74.4Confident63.1Low164 Ų164114.6 Ų114.662%0.61955%0.552SS**Hα-helixtrans-63.4-37.2170.2-176.1179.5-177.3177.51.6111.5L734 H735 R736 L741 L742L734-R738 VanDerWaalsContact O-CB 3.31Å; L734-R738 WeakPolarHBondContact O-CB 3.29Å; L734-R738 PolarHBondContact O-N 2.88Å; H735-R738 WeakPolarHBondContact O-CB 3.5Å; H735-R738 PolarHBondContact O-N 3.41Å; R736-R738 PolarHBondContact O-N 3.3Å; R738-L741 PolarHBondContact O-N 3.2Å; R738-L742 HydrophobicContact CG-CD1 4.38Å; R738-L742 VanDerWaalsContact O-CG 3.29Å; R738-L742 WeakPolarHBondContact O-CG 3.41Å; R738-L742 PolarHBondContact O-N 3.06Å; R738-L742 VanDerWaalsContact O-N 3.09Å
739Q64.8Low63.3Low143 Ų143114.9 Ų114.967%0.66855%0.551SS**Hα-helixtrans-70.8-42.1177.9-143.7165.25.900111.9H735 R736 R737 L741 L742 S743H735-Q739 PolarHBondContact O-N 3.45Å; R736-Q739 WeakPolarHBondContact O-CA 3.34Å; R736-Q739 WeakPolarHBondContact O-CB 3.33Å; R736-Q739 PolarHBondContact O-N 3.1Å; R737-Q739 VanDerWaalsContact C-N 3.3Å; Q739-L741 PolarHBondContact O-N 3.4Å; Q739-L742 PolarHBondContact O-N 2.95Å; Q739-S743 PolarHBondContact O-N 3.01Å
740E74.9Confident62.9Low74 Ų74118 Ų11835%0.34657%0.568SS.*Hα-helixtrans-60.7-39.9170.8-70.2177.9160.900112.9R736 R737 L742 S743 Q744R736-E740 PolarHBondContact O-N 2.96Å; R737-E740 WeakPolarHBondContact CD-OE2 3.28Å; R737-E740 IonicContact CZ-OE2 3.25Å; R737-E740 IonicContact NE-OE2 2.7Å; R737-E740 IonicContact NH1-OE2 3.74Å; R737-E740 PolarHBondContact NH1-OE2 3.17Å; E740-L742 VanDerWaalsContact C-N 3.31Å; E740-S743 PolarHBondContact O-N 3.49Å; E740-S743 PolarHBondContact O-OG 3.23Å; E740-Q744 WeakPolarHBondContact O-CB 3.49Å; E740-Q744 VanDerWaalsContact O-CG 3.25Å; E740-Q744 WeakPolarHBondContact O-CG 3.37Å; E740-Q744 PolarHBondContact O-N 3.11Å; E740-Q744 PolarHBondContact O-NE2 2.81Å
741L69.3Low61.2Low90 Ų90122.9 Ų122.947%0.47159%0.587SS.*Hα-helixtrans-68.9-31.4177.1-73.8167.9000111.9R737 R738 Q739 L745R737-L741 HydrophobicContact CG-CD1 4.45Å; R737-L741 WeakPolarHBondContact O-CB 3.24Å; R737-L741 VanDerWaalsContact O-CG 3.26Å; R737-L741 WeakPolarHBondContact O-CG 3.47Å; R737-L741 PolarHBondContact O-N 3.37Å; R738-L741 PolarHBondContact O-N 3.2Å; Q739-L741 PolarHBondContact O-N 3.4Å; L741-L745 WeakPolarHBondContact O-CD1 3.2Å; L741-L745 VanDerWaalsContact O-CG 3.29Å; L741-L745 WeakPolarHBondContact O-CG 3.2Å; L741-L745 PolarHBondContact O-N 3.27Å
742L61.9Low59.9Low107 Ų107122.2 Ų122.256%0.5659%0.593SS**Hα-helixtrans-73.1-38.6174.5-73.6167.3000112.4R738 Q739 E740 L745 A746R738-L742 HydrophobicContact CG-CD1 4.38Å; R738-L742 VanDerWaalsContact O-CG 3.29Å; R738-L742 WeakPolarHBondContact O-CG 3.41Å; R738-L742 PolarHBondContact O-N 3.06Å; R738-L742 VanDerWaalsContact O-N 3.09Å; Q739-L742 PolarHBondContact O-N 2.95Å; E740-L742 VanDerWaalsContact C-N 3.31Å; L742-L745 PolarHBondContact O-N 2.98Å; L742-A746 PolarHBondContact O-N 2.82Å; L742-A746 VanDerWaalsContact O-N 3.09Å
743S64.9Low58.3Low56 Ų56121.8 Ų121.839%0.39260%0.597SS.*Hα-helixtrans-66.5-42.8173.363.10000111.8Q739 E740 L745 A746 E747Q739-S743 PolarHBondContact O-N 3.01Å; E740-S743 PolarHBondContact O-N 3.49Å; E740-S743 PolarHBondContact O-OG 3.23Å; S743-L745 PolarHBondContact O-N 3.13Å; S743-L745 VanDerWaalsContact O-N 3.14Å; S743-A746 WeakPolarHBondContact O-CB 3.32Å; S743-A746 PolarHBondContact O-N 3.09Å; S743-E747 PolarHBondContact O-N 2.78Å
744Q56.9Low56.2Low68 Ų68121 Ų12132%0.31861%0.608SS.*Hα-helixtrans-64.6-15175-73.8177.250.400114.8E740 R748E740-Q744 WeakPolarHBondContact O-CB 3.49Å; E740-Q744 VanDerWaalsContact O-CG 3.25Å; E740-Q744 WeakPolarHBondContact O-CG 3.37Å; E740-Q744 PolarHBondContact O-N 3.11Å; E740-Q744 PolarHBondContact O-NE2 2.81Å; Q744-R748 WeakPolarHBondContact O-CG 3.35Å; Q744-R748 PolarHBondContact O-NH1 3.45Å
745L56.3Low54.6Low115 Ų115122.5 Ų122.560%0.60262%0.623SS**Hα-helixtrans-92.6-25.9171-78.2167.8000112.6L741 L742 S743L741-L745 WeakPolarHBondContact O-CD1 3.2Å; L741-L745 VanDerWaalsContact O-CG 3.29Å; L741-L745 WeakPolarHBondContact O-CG 3.2Å; L741-L745 PolarHBondContact O-N 3.27Å; L742-L745 PolarHBondContact O-N 2.98Å; S743-L745 PolarHBondContact O-N 3.13Å; S743-L745 VanDerWaalsContact O-N 3.14Å
746A54.8Low52.7Low69 Ų69127.7 Ų127.757%0.5765%0.645SS**Hα-helixtrans-72.7-44.4170.700000111.5L742 S743 R748 K749L742-A746 PolarHBondContact O-N 2.82Å; L742-A746 VanDerWaalsContact O-N 3.09Å; S743-A746 WeakPolarHBondContact O-CB 3.32Å; S743-A746 PolarHBondContact O-N 3.09Å; A746-R748 VanDerWaalsContact C-N 3.28Å; A746-R748 PolarHBondContact O-N 3.24Å; A746-K749 WeakPolarHBondContact O-CB 3.42Å; A746-K749 PolarHBondContact O-N 2.89Å
747E47.9Very low50.4Low157 Ų157123.9 Ų123.973%0.73465%0.651SS**THydrogen-bonded Turntrans-66.7-26-179.4-70.2172.6170.400113.5S743 K749S743-E747 PolarHBondContact O-N 2.78Å; E747-K749 VanDerWaalsContact C-N 3.29Å; E747-K749 PolarHBondContact O-N 2.93Å
748R45Very low48.3Very low184 Ų184123.1 Ų123.169%0.69467%0.669SS**THydrogen-bonded Turntrans-85.38.1177.7-74.5-171.617694.4-3114.5Q744 A746 V750Q744-R748 WeakPolarHBondContact O-CG 3.35Å; Q744-R748 PolarHBondContact O-NH1 3.45Å; A746-R748 VanDerWaalsContact C-N 3.28Å; A746-R748 PolarHBondContact O-N 3.24Å; R748-V750 VanDerWaalsContact C-N 3.34Å; R748-V750 PolarHBondContact O-N 2.75Å
749K45.1Very low46.2Very low181 Ų181121.1 Ų121.179%0.78768%0.681SS**  trans-90.721.8-171.9-125.1-177.9-177.5-170.10115.6A746 E747A746-K749 WeakPolarHBondContact O-CB 3.42Å; A746-K749 PolarHBondContact O-N 2.89Å; E747-K749 VanDerWaalsContact C-N 3.29Å; E747-K749 PolarHBondContact O-N 2.93Å
750V44.3Very low44.7Very low127 Ų127120 Ų12077%0.7769%0.686SS**  trans-133.8111.9167.8-175.40000110.3R748R748-V750 VanDerWaalsContact C-N 3.34Å; R748-V750 PolarHBondContact O-N 2.75Å
751I32.3Very low42.6Very low171 Ų171123.2 Ų123.288%0.87771%0.711SS**  trans168.5107.6146.6-86.6152.6000105.6
752S30.2Very low40.7Very low110 Ų110126.7 Ų126.777%0.76973%0.729SS**  trans-113.5126.1173.152.40000109.1
753P33.3Very low39Very low116 Ų116127.1 Ų127.175%0.75374%0.741SS**PPolyproline II helixtrans-70.3147.5173.230.3-34000110.8
754P33.1Very low37.2Very low115 Ų115133 Ų13375%0.74776%0.762SS**PPolyproline II helixtrans-73.5158.6175.631.8-35.6000112
755P37.5Very low36.5Very low124 Ų124134.6 Ų134.681%0.80578%0.778SS**PPolyproline II helixtrans-70.5158.4174.230.9-35.5000112.4
756F28.6Very low35.1Very low218 Ų218138.7 Ų138.796%0.95679%0.792SS**PPolyproline II helixtrans-64.8139179.9-83.7-102.7000113.1
757A29.3Very low34.6Very low97 Ų97140.9 Ų140.980%0.80280%0.8SS**  trans-117.5162.1160.800000110
758A29.1Very low33.7Very low99 Ų99138.1 Ų138.182%0.81880%0.798SS**  trans-76.7158.5-169.600000114.5
759S30.2Very low32.8Very low122 Ų122136 Ų13685%0.85380%0.801SS**  trans-65.6141177.2-45.40000113.6
760P34.9Very low31.9Very low119 Ų119137.8 Ų137.877%0.77380%0.804SS**  trans-110.8153.8157.136.4-28.4000112.7
761T29.5Very low31.7Very low143 Ų143136.5 Ų136.588%0.87780%0.798SS**  trans-90.6166.6174.6-33.60000111
762L30.1Very low32.3Very low162 Ų162133.8 Ų133.885%0.84879%0.792SS**  trans-62.6137.4-173.3-65.5165000116
763S25.4Very low32Very low117 Ų117136.3 Ų136.382%0.81879%0.791SS**  trans-164.5153.5139.331.50000113.3
764H26.7Very low31.7Very low178 Ų178141.1 Ų141.182%0.82480%0.796SS**  trans-117.8-177.1169.9-67.7-89.6000108
765P42.7Very low31.4Very low103 Ų103138.6 Ų138.667%0.66979%0.791SS**  cis-136.5158.3-23221000116.3
766F26.9Very low30.9Very low200 Ų200140.3 Ų140.388%0.87779%0.793SS**  trans55.1177.6151-68.2-61000119.7
767P44.6Very low30.9Very low115 Ų115137.6 Ų137.675%0.74778%0.783SS**  -127.8-157.9-71.841.7-25.2000112.9
768S29Very low30.9Very low100 Ų100136.4 Ų136.470%0.69977%0.77SS**  trans80.7143171.2-161.30000115.8
769D25.7Very low31Very low139 Ų139136.2 Ų136.274%0.74376%0.762SS**  cis-154.6172.5-25.4-109.5-59.2000111.1
770Y27.3Very low30.9Very low219 Ų219139.4 Ų139.486%0.85976%0.761SS**  trans-5.9159176.6-104.3-125.4000124.5
771P39.2Very low30.4Very low99 Ų99139.2 Ų139.264%0.64376%0.757SS**  trans-87.9-161.9-179.344.5-37.6000110.5
772P45.3Very low30.2Very low115 Ų115139.8 Ų139.875%0.74775%0.752SS**  cis-145.6-154.713.637-10.5000116.4
773E24.7Very low29.8Very low162 Ų162141.1 Ų141.176%0.75775%0.751SS**  trans109.5156.6154.1-57.5-140.5110.300119.9
774Y27Very low29.8Very low217 Ų217141.8 Ų141.885%0.85175%0.754SS**  trans-38.2158.1-180-63.5-101.2000116.7
775G26.1Very low29.7Very low62 Ų62144.6 Ų144.664%0.63976%0.757SS**  cis146158.42.900000111.6
776D25.9Very low28.9Very low161 Ų161147.3 Ų147.386%0.86176%0.761SS**  trans59.3161.1-175.9-86.2-37.2000115.5
777E28.5Very low28.8Very low160 Ų160143.3 Ų143.375%0.74876%0.755SS**  cis-139.6166.7-2.6-127.4-159.897.100107.3
778S29.8Very low28Very low73 Ų73144.4 Ų144.451%0.5175%0.754SS.*  cis-153.5159.514.4-1670000113.1
779S32.3Very low27.9Very low94 Ų94150.3 Ų150.366%0.65776%0.763SS**  trans52109.9153.3-59.20000118.9
780K26.5Very low28Very low190 Ų190150.6 Ų150.683%0.82677%0.77SS**  54.7127.360.9-55177179.6162.40112.1
781T24.7Very low28.1Very low115 Ų115143.6 Ų143.671%0.70676%0.764SS**  cis-162.9177.67.6-7.60000113
782M25.1Very low27.5Very low154 Ų154147.6 Ų147.676%0.75978%0.775SS**  trans77.388.5160.7-55.9-37.6174.300120.5
783K23.5Very low26.7Very low191 Ų191151.9 Ų151.983%0.8378%0.777SS**  41.1104.7122.4-66.6-175.2176-177.60118.8
784C25.1Very low26.8Very low130 Ų130148.8 Ų148.888%0.87877%0.774SS**  40.299.9119.5-1690000117.1
785R23.2Very low27.1Very low238 Ų238143.6 Ų143.690%0.89877%0.767SS**  trans-124.5110.1154.2-173.5179-171.9173.23.8108.1
786E25.7Very low27.3Very low160 Ų160151.5 Ų151.575%0.74878%0.777SS**  trans-65.6135.2171.7-167.9162.6-132.800109.7
787P25.1Very low27.5Very low115 Ų115148.2 Ų148.275%0.74777%0.767SS**  -135.6144.6119.935.4-24.8000112.8Y789P787-Y789 PolarHBondContact O-N 2.81Å
788D28.8Very low27.5Very low138 Ų138146.9 Ų146.974%0.73877%0.774SS**  trans-56.6129.6-178.7-54-108.4000113.8
789Y27.4Very low27.3Very low224 Ų224152.3 Ų152.388%0.87879%0.791SS**  trans-165.9103.8145.1-128.9-86.1000112.4P787P787-Y789 PolarHBondContact O-N 2.81Å
790T27.2Very low27.2Very low145 Ų145154.2 Ų154.289%0.8980%0.799SS**  trans178.896.6137.722.20000113.4
791G28.1Very low27.2Very low72 Ų72152.9 Ų152.974%0.74280%0.799SS**  trans71.1176.7160.400000117.6
792Q27.6Very low27.2Very low183 Ų183150.1 Ų150.186%0.85579%0.794SS**  cis-157.9155.4-10-131.2178.229.100111.4
793Y28.1Very low27.4Very low205 Ų205148.3 Ų148.380%0.80480%0.796SS**  trans31.3115.2148.8-101.3-111.2000120.3
794S27.5Very low27.5Very low97 Ų97150.4 Ų150.468%0.67880%0.801SS**  trans-88.1134.8159.9-172.90000110.4W796S794-W796 VanDerWaalsContact C-N 3.29Å; S794-W796 PolarHBondContact O-N 2.94Å
795P33.4Very low27.7Very low109 Ų109151.9 Ų151.971%0.70880%0.798SS**SBendtrans-84.528.4-163.334.7-38.7000115.9
796W30.8Very low27.7Very low227 Ų227147.5 Ų147.586%0.8679%0.793SS**  trans-13874.6-178.4-69.7104.4000113.4S794S794-W796 VanDerWaalsContact C-N 3.29Å; S794-W796 PolarHBondContact O-N 2.94Å
797S30.1Very low27.8Very low92 Ų92144.3 Ų144.364%0.64379%0.788SS**  trans-148.489.4168.759.50000110.8E799S797-E799 PolarHBondContact O-N 3.16Å
798C27.3Very low27.8Very low132 Ų132148.8 Ų148.889%0.89280%0.795SS**  trans-88.287.4176.5-68.10000111.1
799E26.4Very low27.7Very low187 Ų187149.5 Ų149.587%0.87480%0.799SS**  trans-103.2153.7167.2-71.2-148.8128.100113S797S797-E799 PolarHBondContact O-N 3.16Å
800T29.3Very low27.6Very low135 Ų135143.7 Ų143.783%0.82880%0.798SS**  trans-85.9131.6-171.7-61.90000111.2
801I26.6Very low27.6Very low162 Ų162146.5 Ų146.583%0.83180%0.798SS**  trans-107.6105.9160.9-60.3-178.8000108.7
802G25.4Very low28.1Very low57 Ų57148.3 Ų148.359%0.58880%0.796SS**  trans-88.312716800000110.6Y804G802-Y804 PolarHBondContact O-N 3.42Å
803S27.8Very low28.1Very low116 Ų116148.4 Ų148.481%0.81179%0.794SS**  trans-72.594-174.7-56.90000113.4
804Y26.2Very low27.9Very low235 Ų235145.1 Ų145.192%0.92279%0.79SS**  trans-92.7112.2153.3-87.6-88.2000109.4G802G802-Y804 PolarHBondContact O-N 3.42Å
805I29.8Very low27.9Very low161 Ų161147.8 Ų147.883%0.82680%0.796SS**  trans-133.4129.3164.3-60.2-179.9000107.6
806N23.8Very low27.7Very low146 Ų146151 Ų15178%0.78180%0.803SS**  trans-133.9111.1163.9-173.220.2000110.1
807S26.5Very low27.3Very low92 Ų92144.4 Ų144.464%0.64380%0.798SS**  trans38.2113.3151.5-45.70000119.6
808K26.1Very low27.8Very low210 Ų210146.4 Ų146.491%0.91381%0.808SS**  -151.6148121.9-114.7172-175.7-178.80112
809D26.5Very low27.7Very low152 Ų152143.9 Ų143.981%0.81381%0.805SS**  trans-81.5153.5-163.5-55.8-111.9000115.1
810A26.1Very low27.8Very low103 Ų103141.2 Ų141.285%0.85180%0.802SS**  trans-140.9128.3150.500000109.2
811K27.2Very low27.7Very low204 Ų204142.2 Ų142.289%0.88780%0.799SS**  trans-91.3159178-94.2-176.4177177.80112
812P37.3Very low27.8Very low110 Ų110141.4 Ų141.471%0.71479%0.792SS**  trans-98.8150.1-163.136.9-35.8000116.5
813K27.9Very low28.1Very low184 Ų184144.8 Ų144.880%0.879%0.794SS**  trans64125.5143.4-75.4-173.6174.9-177.80122
814N25Very low28.2Very low137 Ų137147.1 Ų147.173%0.73379%0.794SS**  trans68.6116.7138.6-571.4000119.7
815L27.4Very low28.3Very low152 Ų152142.3 Ų142.380%0.79678%0.784SS**  -176.8148.8100.5-98164.7000113.3
816M27.6Very low28.3Very low176 Ų176140.2 Ų140.287%0.86778%0.778SS**  trans65.2149.9164-62.4-59176.100120.9
817A23.2Very low28.6Very low89 Ų89139.5 Ų139.574%0.73677%0.774SS**  trans-130.2-173.2171.900000107
818P41.6Very low28.7Very low134 Ų134140.9 Ų140.987%0.8778%0.775SS**  cis-124.9-176.3-6.941.6-26.2000113.4
819G25.1Very low28.8Very low80 Ų80139.2 Ų139.283%0.82577%0.767SS**  trans-177.9123.1171.500000114.8
820T26.7Very low28.8Very low131 Ų131135.5 Ų135.580%0.80477%0.765SS**  trans-83.1165.9-177.633.10000115.3
821M27.9Very low28.7Very low156 Ų156138.8 Ų138.877%0.76876%0.763SS**  trans72.3147.2153.9-83.5158.8148.600118.1
822E29.4Very low28.7Very low145 Ų145139.7 Ų139.768%0.67876%0.761SS**  cis-161168.8-17.7-131.3-17816700113.4
823M30.4Very low28.3Very low128 Ų128142.7 Ų142.763%0.63177%0.765SS**  trans11133158.1-57.6-134-76.400123.9
824M30.2Very low28.9Very low164 Ų164139.4 Ų139.481%0.80876%0.762SS**  163.1120.8116.5-105.972.8178.400107.8
825N28.5Very low28.9Very low134 Ų134137.1 Ų137.172%0.71776%0.758SS**  cis100.2146.921.2-159.917.6000114.4
826V30.2Very low28.9Very low118 Ų118136.7 Ų136.772%0.71576%0.755SS**  trans75.9117.6-178.9-166.90000113.7
827D29.2Very low28.7Very low130 Ų130137.2 Ų137.270%0.69576%0.755SS**  72.1150.459.7-84.6-60.2000114.1K829D827-K829 IonicContact OD1-NZ 3.91Å
828D29.3Very low29Very low122 Ų122137.3 Ų137.365%0.65276%0.757SS**  cis-143.1-173.27-161.66.6000112.9
829K28.5Very low29Very low174 Ų174135.7 Ų135.776%0.75775%0.746SS**  trans-78.6165.3-174.2-50.4144-16482.20114.6D827D827-K829 IonicContact OD1-NZ 3.91Å
830G25.5Very low29.4Very low74 Ų74142 Ų14276%0.76375%0.745SS**  trans150.285159.900000114.4
831Q25.6Very low29.6Very low172 Ų172146.9 Ų146.980%0.80475%0.748SS**  79133.680.2-144.8-160.194.300116.1
832R26.5Very low29.6Very low223 Ų223142.8 Ų142.884%0.84275%0.747SS**  trans85.3120.3165-79.9-179.2177.8168.40.5122
833E28.1Very low29.5Very low174 Ų174142.1 Ų142.181%0.81375%0.752SS**  trans-57.8177.1148.6-86.7-157.9118.700114
834P40.2Very low29.6Very low114 Ų114144.7 Ų144.774%0.7476%0.763SS**  cis-145.5-178.621.545-26.1000119.4
835S25.3Very low29.7Very low90 Ų90142.7 Ų142.763%0.62976%0.76SS**  trans87.1110.6134.8-1700000123.8
836L27.4Very low29.5Very low143 Ų143145.4 Ų145.475%0.74977%0.765SS**  trans73.9128.5135.6-66.3173.8000124.9
837E24.4Very low29.6Very low186 Ų186146 Ų14687%0.86977%0.765SS**  trans75.6155.3142.4-67.8-176.613200122.9
838A29.8Very low29.5Very low92 Ų92147.6 Ų147.676%0.7677%0.773SS**  trans-122.1172.7-16200000113.1
839P41Very low29.9Very low99 Ų99148.8 Ų148.864%0.64378%0.779SS**  -159.6146.5115.635.2-14.2000120.7
840R33.5Very low30.8Very low212 Ų212145 Ų14580%0.877%0.772SS**  trans76.9128130.7-69.6168-168.21373.7125.5
841R30.3Very low31Very low234 Ų234149 Ų14988%0.88378%0.775SS**  trans63.7155.7142.3-59.2-179.6-159.5-92.96.6120.4
842G27.7Very low31.3Very low71 Ų71146.8 Ų146.873%0.73277%0.767SS**  cis141127.4-17.100000117.4
843T28.8Very low31.5Very low130 Ų130142 Ų14280%0.79877%0.765SS**  trans-163134.8165.938.30000107.9
844E31.8Very low31.6Very low182 Ų182143 Ų14385%0.8577%0.767SS**  81.3135.754-72.2-177.2-157.300113.6
845V31.1Very low31.1Very low123 Ų123140.6 Ų140.675%0.74576%0.763SS**  cis-161.8163.25.888.40000113.9
846K25.8Very low31.7Very low190 Ų190142 Ų14283%0.82677%0.77SS**  trans64.2171.6162.9-80.7-168.3166.6-161.90121.8
847D32.3Very low32Very low132 Ų132143.9 Ų143.971%0.70678%0.775SS**  cis163.1115.6-40.8-171.3-0.9000110.4
848D26.6Very low32.4Very low163 Ų163140.5 Ų140.587%0.87277%0.769SS**  trans175.7150.8159-107.4-43.7000113.2
849D37.4Very low32.5Very low147 Ų147143.1 Ų143.179%0.78678%0.776SS**  trans-153.9154.7176.7-162.947.7000106.4
850P47.8Very low32.1Very low93 Ų93144.6 Ų144.660%0.60478%0.783SS**  cis-157.2-159.439.144.2-19.4000118.2
851I29.5Very low32.1Very low159 Ų159138.2 Ų138.282%0.81577%0.771SS**  trans88.5146.1152.4-76.9169.9000120.5
852I31.5Very low32.5Very low125 Ų125138.3 Ų138.364%0.64177%0.771SS**PPolyproline II helixtrans-101.5140.2-169-59.8158.1000112.2F854I852-F854 HydrophobicContact CG2-CD2 3.86Å; I852-F854 HydrophobicContact CG2-CE2 3.94Å; I852-F854 HydrophobicContact CG2-CG 4.39Å
853P31.6Very low33Very low124 Ų124143.3 Ų143.381%0.80577%0.773SS**PPolyproline II helixtrans-100.6118.115533.8-26000111.6
854F29.5Very low33.2Very low194 Ų194140.4 Ų140.485%0.85177%0.769SS**PPolyproline II helixtrans-79.9137.1172.7-85.5-85000111.9I852I852-F854 HydrophobicContact CG2-CD2 3.86Å; I852-F854 HydrophobicContact CG2-CE2 3.94Å; I852-F854 HydrophobicContact CG2-CG 4.39Å
855G31Very low33Very low64 Ų64136.3 Ų136.366%0.6677%0.766SS**  trans-127.3143.9172.900000111.7Q857G855-Q857 PolarHBondContact O-N 3.02Å
856P36.2Very low33Very low120 Ų120138.2 Ų138.278%0.77977%0.771SS**  trans-92.2109.8-162.933.5-34.8000114.7
857Q33.5Very low33.2Very low181 Ų181134.7 Ų134.785%0.84677%0.769SS**  trans-168.2137.9151.2-110.9144.798.900111.7G855G855-Q857 PolarHBondContact O-N 3.02Å
858P33.4Very low33.3Very low115 Ų115139.9 Ų139.975%0.74778%0.779SS**  trans-75.9125.6177.630.1-33.4000111.6V860P858-V860 PolarHBondContact O-N 2.93Å; P858-V860 VanDerWaalsContact O-N 3.12Å
859T32.5Very low33.5Very low147 Ų147138.9 Ų138.990%0.90278%0.779SS**  trans-72.7103.4176.5-24.60000110S861T859-S861 PolarHBondContact O-N 3.06Å
860V32.1Very low33Very low130 Ų130137.4 Ų137.479%0.78878%0.781SS**  trans-69.6128-178.7-174.40000110.3P858P858-V860 PolarHBondContact O-N 2.93Å; P858-V860 VanDerWaalsContact O-N 3.12Å
861S33.4Very low32Very low78 Ų78142.7 Ų142.755%0.54579%0.794SS.*  trans-58.7144.2173.8178.50000111.6T859 F863T859-S861 PolarHBondContact O-N 3.06Å; S861-F863 PolarHBondContact O-N 3.38Å; S861-F863 PolarHBondContact OG-N 3.01Å
862R38.2Very low32.1Very low236 Ų236141.3 Ų141.389%0.89179%0.793SS**SBendtrans-59.6-13.8174.6-173.3173.3175.8-174.2-2.1113.4
863F38.9Very low31.8Very low176 Ų176138.9 Ų138.977%0.77280%0.799SS**SBendtrans-10897.2179.9-56.9-79.3000110.5S861S861-F863 PolarHBondContact O-N 3.38Å; S861-F863 PolarHBondContact OG-N 3.01Å
864G33.1Very low31.6Very low69 Ų69143.9 Ų143.971%0.71180%0.803SS**  trans-76.3139.3178.600000113.5
865A28.7Very low31.5Very low96 Ų96143.8 Ų143.879%0.79381%0.805SS**  trans42.287.1159.300000118.3S867A865-S867 PolarHBondContact O-N 3.23Å
866I29.9Very low31.3Very low164 Ų164147 Ų14784%0.84181%0.813SS**  trans-84.2102152-58.3175.6000107.9R868I866-R868 PolarHBondContact O-N 3.06Å
867S30.1Very low30.9Very low115 Ų115148.3 Ų148.380%0.80482%0.818SS**PPolyproline II helixtrans-63.9118.8173-65.40000110.5A865A865-S867 PolarHBondContact O-N 3.23Å
868R33.8Very low30.6Very low242 Ų242143 Ų14391%0.91381%0.812SS**PPolyproline II helixtrans-81.4126.9177.7-66.3-179.8171.7-156.2-4110I866I866-R868 PolarHBondContact O-N 3.06Å
869T30.5Very low31.3Very low142 Ų142143.5 Ų143.587%0.87182%0.816SS**PPolyproline II helixtrans-72.8141.5169.144.80000110.8
870S28Very low31Very low116 Ų116143.6 Ų143.681%0.81182%0.816SS**PPolyproline II helixtrans-75.2140.8176.4380000111.5
871K27.5Very low30.9Very low204 Ų204146.3 Ų146.389%0.88782%0.82SS**PPolyproline II helixtrans-84.3121.5159.7-82-176.6174.3179.10108.4
872T29.9Very low30.5Very low129 Ų129146.9 Ų146.979%0.79183%0.829SS**PPolyproline II helixtrans-85137.7149.442.80000108.4
873G26.8Very low30Very low74 Ų74144.5 Ų144.576%0.76383%0.83SS**  trans-131.8132170.400000108.1
874Y27.3Very low29.4Very low230 Ų230140.8 Ų140.890%0.90283%0.832SS**  trans-108.8135.1171.5-88.1-85.5000109.5
875Q26Very low29.1Very low192 Ų192143.7 Ų143.790%0.89784%0.842SS**  trans-137.1142.7165.1-166.9169.99.700107.3
876T27.7Very low29.1Very low132 Ų132145.5 Ų145.581%0.8184%0.843SS**  trans-103.9127.5-163.636.50000113.8
877T28.5Very low28.9Very low146 Ų146145 Ų14590%0.89684%0.842SS**  trans-161.1136.715040.20000109.5
878G27.3Very low28.9Very low70 Ų70148.2 Ų148.272%0.72284%0.844SS**  trans-97.9-149.7163.900000110.9
879P46.2Very low28.6Very low126 Ų126144 Ų14482%0.81884%0.84SS**  cis-129.9163.9-1140.3-26.2000113.8
880V27.6Very low29.4Very low149 Ų149142.3 Ų142.390%0.90383%0.831SS**  trans-140.1146.8161.9-176.50000109
881Q28.5Very low29.4Very low186 Ų186144.1 Ų144.187%0.86983%0.831SS**  trans-99.4-177-172.8-65.6176.4-36.300113.6
882A26.8Very low29.5Very low91 Ų91138.4 Ų138.475%0.75282%0.817SS**  trans93132.817800000114.7
883M27.3Very low29.5Very low185 Ų185141.4 Ų141.491%0.91182%0.819SS**  cis-134.2150.52.231.9-85.9179.100111.7
884A25.7Very low29.5Very low98 Ų98144.9 Ų144.981%0.8182%0.815SS**  trans-118.2139.9175.900000110.4
885S26.8Very low29.4Very low130 Ų130141.9 Ų141.991%0.90981%0.812SS**  trans-85.5134.5173.2-59.30000110.4
886T28.1Very low29.3Very low135 Ų135137.5 Ų137.583%0.82880%0.798SS**  trans-79.9145.5-17338.90000114
887L27Very low29.2Very low154 Ų154138.9 Ų138.981%0.80680%0.797SS**  trans-153.394.8150.6-114.6161.4000112.6
888Q30.5Very low30.2Very low181 Ų181136.1 Ų136.185%0.84678%0.782SS**  trans51.8127.6144.7-64.3173.7-6.200123.2
889N25.5Very low30.1Very low155 Ų155139 Ų13983%0.82978%0.781SS**  trans-60.5-177.7164.4-126.81.1000113
890P48.4Very low29.1Very low106 Ų106144 Ų14469%0.68879%0.785SS**  cis-140168.37.239.6-20.2000118.3
891N27.4Very low29.2Very low153 Ų153142.1 Ų142.182%0.81878%0.778SS**  157.4157.598-154.60.8000115.3
892S30.6Very low29Very low84 Ų84144.5 Ų144.559%0.58778%0.781SS**  trans84.396.9158.9-163.50000122.5
893K29.9Very low29.2Very low193 Ų193143 Ų14384%0.83977%0.774SS**  trans49.8115.2130.2-57.6167.9-175.71760119.4
894H26.5Very low29.2Very low146 Ų146138.7 Ų138.768%0.67676%0.762SS**  88.7110.154.2-178.4-60.8000115.3
895M24.4Very low29.4Very low168 Ų168142.9 Ų142.983%0.82877%0.765SS**  trans-168.6166.8138.1-99.2-49.7162.200111.6
896T24.3Very low29.3Very low100 Ų100140.6 Ų140.661%0.61376%0.761SS**  trans-154.7154.4-150.2-16.50000115.4
897M26.3Very low29.2Very low160 Ų160138.4 Ų138.479%0.78876%0.757SS**  trans74.2168.1160.5-55.2-58.7-80.900118.2
898P48.6Very low29.2Very low89 Ų89143.8 Ų143.858%0.57877%0.767SS**  -145-172.9-62.746-29.6000115.8
899D25.3Very low29Very low130 Ų130140.1 Ų140.170%0.69577%0.768SS**  trans57.1133.4147.7-58.3-31.6000123.2
900Y24.9Very low29Very low231 Ų231136 Ų13691%0.90676%0.762SS**  -169159.597.1-114.5-87.1000113.2
901S29.6Very low27.8Very low109 Ų109135.7 Ų135.776%0.76277%0.768SS**  trans-112.4157.4-175.6-67.60000113.7
902Y26.2Very low27.6Very low236 Ų236134.2 Ų134.293%0.92577%0.77SS**  trans-150.8145.9152.4-142.9-107.6000112.8
903G29.1Very low27.4Very low59 Ų59140 Ų14061%0.60878%0.78SS**  trans-109.9-154.4170.500000110.9
904S27.4Very low27.4Very low95 Ų95136.3 Ų136.366%0.66478%0.776SS**  cis-166.3171.9-8.5-173.70000108.8
905H31.2Very low27.4Very low187 Ų187133.1 Ų133.187%0.86677%0.77SS**  trans72.3143.1164-58.1-65.7000120.9
906G23.5Very low27.4Very low81 Ų81132.8 Ų132.884%0.83577%0.766SS**  trans16155.9174.100000114.5
907A27.1Very low27.5Very low90 Ų90135.3 Ų135.374%0.74477%0.771SS**  trans-144.2130.3179.500000112.8
908W27.2Very low27.4Very low266 Ų266133.8 Ų133.8100%1.00877%0.771SS**  trans-150.6156.7170.6-8891.7000109.9
909A26.4Very low26.1Very low105 Ų105134.7 Ų134.787%0.86879%0.786SS**  trans-149.9157.8-173.300000113.9
910G24.9Very low26.1Very low68 Ų68133.5 Ų133.570%0.70179%0.788SS**  trans177.9136.2169.300000108.8
911A23.2Very low26.1Very low99 Ų99127.5 Ų127.582%0.81878%0.78SS**  cis75.712639.400000112.8
912S23.4Very low25.8Very low122 Ų122128.2 Ų128.285%0.85378%0.784SS**  cis-157174.81.9-99.10000114
913Y25.6Very low25.9Very low205 Ų205125.3 Ų125.380%0.80478%0.78SS**  trans-70164-178.5-94.8-90.6000115.5
914P29.6Very low25.7Very low117 Ų117126.7 Ų126.776%0.7679%0.794SS**  -129.4148.885.238.4-30000113.7
915S27.5Very low25.6Very low79 Ų79128.1 Ų128.155%0.55279%0.79SS**  cis86.494.79.487.30000119
916H25.3Very low25.2Very low161 Ų161129.5 Ų129.575%0.74579%0.793SS**  trans-145.9112140.4-92.4-84.5000107.1
917Q25.2Very low25.5Very low153 Ų153132.3 Ų132.372%0.71579%0.785SS**  72.798.494-73.1177.6-5.100112.9
918T24.8Very low25.9Very low127 Ų127139.4 Ų139.478%0.77979%0.792SS**  77.6118.26364.30000115.3
919A21.4Very low26.2Very low108 Ų108134 Ų13489%0.89378%0.783SS**  trans-12493.2159.300000110
920S25.2Very low26.9Very low105 Ų105134.6 Ų134.673%0.73478%0.777SS**  trans-74.8166.6158.216.40000109.7
921S25.1Very low27.4Very low106 Ų106139.4 Ų139.474%0.74178%0.784SS**  cis-178.1160.2-12.549.20000109
922S23.3Very low28.6Very low123 Ų123138.9 Ų138.986%0.8677%0.77SS**  trans-148.1120.6147.458.70000110.6
923Q28.2Very low29.9Very low176 Ų176138.1 Ų138.182%0.82276%0.761SS**  trans-96.8137.6176.9-70.7177.8-67.500111.3
924G23.8Very low31Very low88 Ų88132 Ų13291%0.90775%0.746SS**  trans-101.685161.600000110.1
925H25.9Very low31.8Very low125 Ų125130.3 Ų130.358%0.57973%0.731SS**  trans-77.3141176.4-151.4-107000110E927H925-E927 IonicContact CE1-OE1 3.13Å
926F23.7Very low33.3Very low215 Ų215135.7 Ų135.794%0.94374%0.739SS**  trans-138.6110.3158.2-123.1-74.7000110.6
927E29.5Very low35.1Very low141 Ų141134 Ų13466%0.65973%0.731SS**  trans-95.3143.7-171.8-161.7156.2-134.900110.9H925 L929H925-E927 IonicContact CE1-OE1 3.13Å; E927-L929 PolarHBondContact O-N 3.09Å
928R34.6Very low37.1Very low238 Ų238132.4 Ų132.490%0.89872%0.724SS**  trans-89.196.7178.2179.9-175-69.9146-0.6109.2
929L33.2Very low38.8Very low153 Ų153131.8 Ų131.880%0.80172%0.715SS**PPolyproline II helixtrans-62.6150.7172.1-74.8174.5000111.9E927E927-L929 PolarHBondContact O-N 3.09Å
930P41.8Very low41.1Very low117 Ų117133.4 Ų133.476%0.7670%0.702SS**PPolyproline II helixtrans-84.6162.1-169.7-8.127.9000113.1
931M36.1Very low43.8Very low170 Ų170133.8 Ų133.884%0.83770%0.695SS**PPolyproline II helixtrans-69.6146.7159.9-70-63.2-161.500110.4
932T47.8Very low46.1Very low87 Ų87133.4 Ų133.453%0.53468%0.681SS.*PPolyproline II helixtrans-58.2140.7172.819.30000112D935T932-D935 WeakPolarHBondContact CB-OD2 3.48Å; T932-D935 PolarHBondContact OG1-OD2 3.2Å
933T50.4Low48.4Very low107 Ų107132.9 Ų132.966%0.65667%0.668SS**Hα-helixtrans-58.7-44.4-179.936.60000115D935 R936 E937T933-D935 PolarHBondContact O-N 2.84Å; T933-R936 WeakPolarHBondContact O-CB 3.38Å; T933-R936 PolarHBondContact O-N 3.02Å; T933-E937 PolarHBondContact O-N 3.5Å
934P49.6Very low50.5Low75 Ų75130.7 Ų130.749%0.48766%0.658SS.*Hα-helixtrans-62-42-178.421.7-34.2000113.6R936 E937 Q938P934-R936 VanDerWaalsContact C-N 3.26Å; P934-R936 PolarHBondContact O-N 3.16Å; P934-E937 PolarHBondContact O-N 3.18Å; P934-Q938 PolarHBondContact O-N 3.27Å
935D46Very low52.9Low82 Ų82132.8 Ų132.844%0.43964%0.644SS.*Hα-helixtrans-62.5-36.3179.9-55.7-70.3000111.9T932 T933 E937 L939T932-D935 WeakPolarHBondContact CB-OD2 3.48Å; T932-D935 PolarHBondContact OG1-OD2 3.2Å; T933-D935 PolarHBondContact O-N 2.84Å; D935-E937 VanDerWaalsContact C-N 3.3Å; D935-E937 PolarHBondContact O-N 3.17Å; D935-L939 WeakPolarHBondContact O-CB 3.42Å; D935-L939 PolarHBondContact O-N 3.16Å
936R58.2Low55Low192 Ų192130.2 Ų130.273%0.72564%0.637SS**Hα-helixtrans-67.1-29.7175.1175.2179.2168.188.9-2.6112.4T933 P934 K940T933-R936 WeakPolarHBondContact O-CB 3.38Å; T933-R936 PolarHBondContact O-N 3.02Å; P934-R936 VanDerWaalsContact C-N 3.26Å; P934-R936 PolarHBondContact O-N 3.16Å; R936-K940 WeakPolarHBondContact O-CB 3.46Å; R936-K940 PolarHBondContact O-N 2.97Å
937E64Low57.1Low125 Ų125124.1 Ų124.158%0.58461%0.614SS**Hα-helixtrans-83.9-38.9176.7-67.1-170.2141.100112T933 P934 D935 K940 I941T933-E937 PolarHBondContact O-N 3.5Å; P934-E937 PolarHBondContact O-N 3.18Å; D935-E937 VanDerWaalsContact C-N 3.3Å; D935-E937 PolarHBondContact O-N 3.17Å; E937-K940 WeakPolarHBondContact O-CB 3.47Å; E937-K940 PolarHBondContact O-N 3Å; E937-K940 VanDerWaalsContact O-N 3.09Å; E937-I941 WeakPolarHBondContact O-CG1 3.31Å; E937-I941 PolarHBondContact O-N 3.05Å
938Q66.9Low59.2Low120 Ų120123.1 Ų123.156%0.56161%0.61SS**Hα-helixtrans-59.9-48.5173.6-176.1170.4-21.400111.7P934 K940 I941 E942P934-Q938 PolarHBondContact O-N 3.27Å; Q938-K940 PolarHBondContact O-N 3.15Å; Q938-I941 PolarHBondContact O-N 3.25Å; Q938-I941 VanDerWaalsContact O-N 3.12Å; Q938-E942 PolarHBondContact O-N 3.47Å
939L60.3Low60.8Low115 Ų115117.9 Ų117.960%0.60260%0.595SS**Hα-helixtrans-60.1-29.3173.7-91.8156.9000113.4D935 L943D935-L939 WeakPolarHBondContact O-CB 3.42Å; D935-L939 PolarHBondContact O-N 3.16Å; L939-L943 VanDerWaalsContact O-CB 3.25Å; L939-L943 WeakPolarHBondContact O-CB 3.27Å; L939-L943 PolarHBondContact O-N 3.46Å; L939-L943 VanDerWaalsContact O-N 3.13Å
940K70.1Confident62.6Low141 Ų141114.8 Ų114.861%0.61358%0.579SS**Hα-helixtrans-75.2-37.6176.5-171.9-175.2174.8-164.90111.3R936 E937 Q938 Q944R936-K940 WeakPolarHBondContact O-CB 3.46Å; R936-K940 PolarHBondContact O-N 2.97Å; E937-K940 WeakPolarHBondContact O-CB 3.47Å; E937-K940 PolarHBondContact O-N 3Å; E937-K940 VanDerWaalsContact O-N 3.09Å; Q938-K940 PolarHBondContact O-N 3.15Å; K940-Q944 VanDerWaalsContact O-CB 3.32Å; K940-Q944 WeakPolarHBondContact O-CB 3.47Å; K940-Q944 PolarHBondContact O-N 2.85Å
941I81.9Confident64.1Low113 Ų113113.1 Ų113.158%0.57957%0.567SS**Hα-helixtrans-66.8-48.5175-67.5163.9000110.3E937 Q938 L943 Q944 Q945E937-I941 WeakPolarHBondContact O-CG1 3.31Å; E937-I941 PolarHBondContact O-N 3.05Å; Q938-I941 PolarHBondContact O-N 3.25Å; Q938-I941 VanDerWaalsContact O-N 3.12Å; I941-L943 PolarHBondContact O-N 3.23Å; I941-Q944 PolarHBondContact O-N 3.32Å; I941-Q944 VanDerWaalsContact O-N 3.17Å; I941-Q945 WeakPolarHBondContact O-CB 3.48Å; I941-Q945 PolarHBondContact O-N 3.01Å
942E72.3Confident65.8Low98 Ų98110.5 Ų110.546%0.45855%0.552SS.*Hα-helixtrans-57.4-47.8175.8-72.1-176.1151.300111.7Q938 Q944 Q945 V946Q938-E942 PolarHBondContact O-N 3.47Å; E942-Q944 VanDerWaalsContact C-N 3.28Å; E942-Q944 PolarHBondContact O-N 3.33Å; E942-Q945 PolarHBondContact O-N 2.79Å; E942-V946 WeakPolarHBondContact O-CG2 3.41Å; E942-V946 PolarHBondContact O-N 3.26Å
943L71.8Confident66.8Low113 Ų113113.1 Ų113.159%0.59256%0.559SS**Hα-helixtrans-63.1-34.2178.6-174.264000112.4L939 I941 N947L939-L943 VanDerWaalsContact O-CB 3.25Å; L939-L943 WeakPolarHBondContact O-CB 3.27Å; L939-L943 PolarHBondContact O-N 3.46Å; L939-L943 VanDerWaalsContact O-N 3.13Å; I941-L943 PolarHBondContact O-N 3.23Å; L943-N947 PolarHBondContact O-N 2.81Å; L943-N947 VanDerWaalsContact O-N 3.14Å; L943-N947 PolarHBondContact O-ND2 3.34Å
944Q73.3Confident67.8Low130 Ų130111.6 Ų111.661%0.60755%0.549SS*.Hα-helixtrans-74.1-36.7176.3-171.5160.8-5.200112K940 I941 E942 N947 Q948K940-Q944 VanDerWaalsContact O-CB 3.32Å; K940-Q944 WeakPolarHBondContact O-CB 3.47Å; K940-Q944 PolarHBondContact O-N 2.85Å; I941-Q944 PolarHBondContact O-N 3.32Å; I941-Q944 VanDerWaalsContact O-N 3.17Å; E942-Q944 VanDerWaalsContact C-N 3.28Å; E942-Q944 PolarHBondContact O-N 3.33Å; Q944-N947 PolarHBondContact O-N 2.79Å; Q944-Q948 WeakPolarHBondContact O-CB 3.45Å; Q944-Q948 PolarHBondContact O-N 3.36Å
945Q73.1Confident68.5Low132 Ų132113.7 Ų113.762%0.61755%0.552SS**Hα-helixtrans-66-43.5175.4-163.817233.800111.5I941 E942 Q948 Q949I941-Q945 WeakPolarHBondContact O-CB 3.48Å; I941-Q945 PolarHBondContact O-N 3.01Å; E942-Q945 PolarHBondContact O-N 2.79Å; Q945-Q948 PolarHBondContact O-N 2.85Å; Q945-Q949 PolarHBondContact O-N 3.36Å
946V70.4Confident69.5Low71 Ų71115.2 Ų115.243%0.4356%0.558SS.*Hα-helixtrans-62.8-42.5174.3170.70000111.8E942 Q948 Q949 I950E942-V946 WeakPolarHBondContact O-CG2 3.41Å; E942-V946 PolarHBondContact O-N 3.26Å; V946-Q948 VanDerWaalsContact C-N 3.33Å; V946-Q948 PolarHBondContact O-N 3.43Å; V946-Q949 PolarHBondContact O-N 2.89Å; V946-I950 HydrophobicContact CG1-CD1 3.86Å; V946-I950 WeakPolarHBondContact O-CG1 3.35Å; V946-I950 PolarHBondContact O-N 3.49Å
947N67.8Low69.7Low86 Ų86111.9 Ų111.946%0.4655%0.551SS.*Hα-helixtrans-63.9-38175.2-85.1-75000112.4L943 Q944 Q949 I950 T951L943-N947 PolarHBondContact O-N 2.81Å; L943-N947 VanDerWaalsContact O-N 3.14Å; L943-N947 PolarHBondContact O-ND2 3.34Å; Q944-N947 PolarHBondContact O-N 2.79Å; N947-Q949 VanDerWaalsContact C-N 3.35Å; N947-I950 PolarHBondContact O-N 2.72Å; N947-T951 WeakPolarHBondContact O-CB 3.33Å; N947-T951 PolarHBondContact O-N 3.41Å; N947-T951 PolarHBondContact O-OG1 2.8Å
948Q73.2Confident69.6Low120 Ų120110.7 Ų110.756%0.56155%0.548SS*.Hα-helixtrans-65.4-39.2175.8-171.1171.386.100111.6Q944 Q945 V946 T951 Q952Q944-Q948 WeakPolarHBondContact O-CB 3.45Å; Q944-Q948 PolarHBondContact O-N 3.36Å; Q945-Q948 PolarHBondContact O-N 2.85Å; V946-Q948 VanDerWaalsContact C-N 3.33Å; V946-Q948 PolarHBondContact O-N 3.43Å; Q948-T951 PolarHBondContact O-N 2.76Å; Q948-Q952 WeakPolarHBondContact O-CG 3.5Å; Q948-Q952 PolarHBondContact O-N 2.96Å
949Q69.1Low69.7Low128 Ų128110 Ų11060%0.59855%0.548SS*.Hα-helixtrans-65.3-45.3175.5-164.2173.523.500112.2Q945 V946 N947 T951 Q952 Q953Q945-Q949 PolarHBondContact O-N 3.36Å; V946-Q949 PolarHBondContact O-N 2.89Å; N947-Q949 VanDerWaalsContact C-N 3.35Å; Q949-T951 VanDerWaalsContact C-N 3.3Å; Q949-T951 PolarHBondContact O-N 2.64Å; Q949-Q952 PolarHBondContact O-N 3.03Å; Q949-Q953 WeakPolarHBondContact O-CB 3.33Å; Q949-Q953 PolarHBondContact O-N 3.34Å
950I71.4Confident69.7Low88 Ų88109.6 Ų109.645%0.45154%0.542SS..Hα-helixtrans-60.5-40.3173.7-68165.8000111V946 N947 Q953 T954V946-I950 HydrophobicContact CG1-CD1 3.86Å; V946-I950 WeakPolarHBondContact O-CG1 3.35Å; V946-I950 PolarHBondContact O-N 3.49Å; N947-I950 PolarHBondContact O-N 2.72Å; I950-Q953 PolarHBondContact O-N 3.36Å; I950-T954 WeakPolarHBondContact O-CB 3.4Å; I950-T954 PolarHBondContact O-N 2.78Å; I950-T954 PolarHBondContact O-OG1 3.29Å
951T72.3Confident69.1Low83 Ų83105.2 Ų105.251%0.50953%0.533SS..Hα-helixtrans-63.5-47.7177.6-55.70000111.1N947 Q948 Q949 Q953 T954 Q955N947-T951 WeakPolarHBondContact O-CB 3.33Å; N947-T951 PolarHBondContact O-N 3.41Å; N947-T951 PolarHBondContact O-OG1 2.8Å; Q948-T951 PolarHBondContact O-N 2.76Å; Q949-T951 VanDerWaalsContact C-N 3.3Å; Q949-T951 PolarHBondContact O-N 2.64Å; T951-Q953 PolarHBondContact O-N 2.7Å; T951-T954 PolarHBondContact O-N 3.24Å; T951-Q955 WeakPolarHBondContact O-CB 3.47Å; T951-Q955 PolarHBondContact O-N 3.4Å
952Q71.3Confident67.9Low114 Ų114102.3 Ų102.353%0.53353%0.526SS..Hα-helixtrans-61.1-42.4175.7-73176.12.700112.1Q948 Q949 T954 Q955 M956Q948-Q952 WeakPolarHBondContact O-CG 3.5Å; Q948-Q952 PolarHBondContact O-N 2.96Å; Q949-Q952 PolarHBondContact O-N 3.03Å; Q952-T954 PolarHBondContact O-N 2.83Å; Q952-Q955 PolarHBondContact O-N 2.92Å; Q952-M956 WeakPolarHBondContact O-CG 3.42Å; Q952-M956 PolarHBondContact O-N 3.27Å
953Q68.8Low67.1Low143 Ų143100.9 Ų100.967%0.66853%0.526SS*.Hα-helixtrans-66.9-36.7179.4-164.3170.725.500112.3Q949 I950 T951 H957Q949-Q953 WeakPolarHBondContact O-CB 3.33Å; Q949-Q953 PolarHBondContact O-N 3.34Å; I950-Q953 PolarHBondContact O-N 3.36Å; T951-Q953 PolarHBondContact O-N 2.7Å; Q953-H957 WeakPolarHBondContact O-CB 3.38Å; Q953-H957 PolarHBondContact O-N 2.82Å; Q953-H957 VanDerWaalsContact O-N 3.11Å
954T71.6Confident66.1Low74 Ų74100.4 Ų100.445%0.45452%0.524SS..Hα-helixtrans-67.7-38.3172.7-53.30000111.3I950 T951 Q952 H957 N958I950-T954 WeakPolarHBondContact O-CB 3.4Å; I950-T954 PolarHBondContact O-N 2.78Å; I950-T954 PolarHBondContact O-OG1 3.29Å; T951-T954 PolarHBondContact O-N 3.24Å; Q952-T954 PolarHBondContact O-N 2.83Å; T954-H957 PolarHBondContact O-N 3.28Å; T954-N958 WeakPolarHBondContact O-CB 3.26Å; T954-N958 PolarHBondContact O-N 2.8Å; T954-N958 PolarHBondContact O-ND2 3.23Å
955Q65.1Low65.1Low120 Ų12097.8 Ų97.856%0.56152%0.52SS*.Hα-helixtrans-69.9-40.7178.8-162.5168.620.900111.9T951 Q952 N958 I959T951-Q955 WeakPolarHBondContact O-CB 3.47Å; T951-Q955 PolarHBondContact O-N 3.4Å; Q952-Q955 PolarHBondContact O-N 2.92Å; Q955-N958 PolarHBondContact O-N 2.79Å; Q955-I959 HydrophobicContact CG-CD1 4.26Å; Q955-I959 WeakPolarHBondContact O-CD1 3.28Å; Q955-I959 VanDerWaalsContact O-CG1 3.25Å; Q955-I959 WeakPolarHBondContact O-CG1 3.49Å; Q955-I959 PolarHBondContact O-N 3.3Å
956M67.3Low64Low113 Ų11396.2 Ų96.256%0.55752%0.516SS*.Hα-helixtrans-54.6-54.5168.9-78.2-76.3-65.200111.5Q952 N958 I959 E960Q952-M956 WeakPolarHBondContact O-CG 3.42Å; Q952-M956 PolarHBondContact O-N 3.27Å; M956-N958 VanDerWaalsContact C-N 3.28Å; M956-N958 PolarHBondContact O-N 2.96Å; M956-I959 WeakPolarHBondContact O-CA 3.49Å; M956-I959 WeakPolarHBondContact O-CB 3.48Å; M956-I959 PolarHBondContact O-N 2.88Å; M956-E960 WeakPolarHBondContact O-CG 3.31Å; M956-E960 PolarHBondContact O-N 3.38Å
957H61.7Low62.9Low123 Ų12397.4 Ų97.457%0.56952%0.519SS*.Hα-helixtrans-61.6-35.2-178.6-172.8-81.2000112.7Q953 T954 A961Q953-H957 WeakPolarHBondContact O-CB 3.38Å; Q953-H957 PolarHBondContact O-N 2.82Å; Q953-H957 VanDerWaalsContact O-N 3.11Å; T954-H957 PolarHBondContact O-N 3.28Å; H957-A961 WeakPolarHBondContact O-CB 3.49Å; H957-A961 PolarHBondContact O-N 3.45Å
958N62.6Low62Low99 Ų9999.2 Ų99.253%0.52953%0.528SS..Hα-helixtrans-72.5-31.8173.9-74.5-16.3000112.9T954 Q955 M956 A962T954-N958 WeakPolarHBondContact O-CB 3.26Å; T954-N958 PolarHBondContact O-N 2.8Å; T954-N958 PolarHBondContact O-ND2 3.23Å; Q955-N958 PolarHBondContact O-N 2.79Å; M956-N958 VanDerWaalsContact C-N 3.28Å; M956-N958 PolarHBondContact O-N 2.96Å; N958-A962 VanDerWaalsContact O-CB 3.25Å; N958-A962 WeakPolarHBondContact O-CB 3.43Å; N958-A962 PolarHBondContact O-N 3.37Å
959I68.2Low60.7Low107 Ų10799.3 Ų99.355%0.54953%0.528SS..Hα-helixtrans-69.7-39.6172.3-71.4163.8000110.5Q955 M956 A962 S963Q955-I959 HydrophobicContact CG-CD1 4.26Å; Q955-I959 WeakPolarHBondContact O-CD1 3.28Å; Q955-I959 VanDerWaalsContact O-CG1 3.25Å; Q955-I959 WeakPolarHBondContact O-CG1 3.49Å; Q955-I959 PolarHBondContact O-N 3.3Å; M956-I959 WeakPolarHBondContact O-CA 3.49Å; M956-I959 WeakPolarHBondContact O-CB 3.48Å; M956-I959 PolarHBondContact O-N 2.88Å; I959-A962 PolarHBondContact O-N 3.03Å; I959-S963 VanDerWaalsContact O-CB 3.23Å; I959-S963 WeakPolarHBondContact O-CB 3.36Å; I959-S963 PolarHBondContact O-N 2.82Å
960E60.8Low59.6Low105 Ų105102.6 Ų102.649%0.49154%0.536SS..Hα-helixtrans-63.9-44.8173.7-70.1173.2153.700111.4M956 S963 N964M956-E960 WeakPolarHBondContact O-CG 3.31Å; M956-E960 PolarHBondContact O-N 3.38Å; E960-S963 PolarHBondContact O-N 3.17Å; E960-N964 PolarHBondContact O-N 3.26Å; E960-N964 PolarHBondContact O-ND2 3.44Å; E960-N964 VanDerWaalsContact O-ND2 3.08Å
961A57.9Low58.4Low50 Ų50104.9 Ų104.941%0.41354%0.544SS..Hα-helixtrans-61.7-43.917400000112.6H957 N964 S965H957-A961 WeakPolarHBondContact O-CB 3.49Å; H957-A961 PolarHBondContact O-N 3.45Å; A961-N964 PolarHBondContact O-N 3.16Å; A961-S965 PolarHBondContact O-N 2.91Å
962A56.3Low57.1Low52 Ų52105 Ų10543%0.4355%0.553SS.*Hα-helixtrans-66.1-37.7176.200000112.5N958 I959 S965 L966N958-A962 VanDerWaalsContact O-CB 3.25Å; N958-A962 WeakPolarHBondContact O-CB 3.43Å; N958-A962 PolarHBondContact O-N 3.37Å; I959-A962 PolarHBondContact O-N 3.03Å; A962-S965 PolarHBondContact O-N 3.25Å; A962-L966 WeakPolarHBondContact O-CB 3.24Å; A962-L966 PolarHBondContact O-N 3.48Å
963S56.1Low55.5Low68 Ų68104 Ų10448%0.47656%0.559SS.*Hα-helixtrans-63.3-46.5176.1-170.20000111.3I959 E960 S965 L966 L967I959-S963 VanDerWaalsContact O-CB 3.23Å; I959-S963 WeakPolarHBondContact O-CB 3.36Å; I959-S963 PolarHBondContact O-N 2.82Å; E960-S963 PolarHBondContact O-N 3.17Å; S963-S965 VanDerWaalsContact C-N 3.34Å; S963-S965 PolarHBondContact O-N 3.31Å; S963-L966 PolarHBondContact O-N 2.58Å; S963-L967 PolarHBondContact O-N 2.83Å
964N49.3Very low54.1Low102 Ų102100.8 Ų100.855%0.54556%0.557SS.*Hα-helixtrans-61.4-40.9174.6-71.9-40.2000112E960 A961 L967 L968E960-N964 PolarHBondContact O-N 3.26Å; E960-N964 PolarHBondContact O-ND2 3.44Å; E960-N964 VanDerWaalsContact O-ND2 3.08Å; A961-N964 PolarHBondContact O-N 3.16Å; N964-L967 PolarHBondContact O-N 2.9Å; N964-L968 VanDerWaalsContact O-CD1 3.31Å; N964-L968 WeakPolarHBondContact O-CD1 3.36Å; N964-L968 PolarHBondContact O-N 3.01Å
965S52.3Low52.6Low75 Ų75105 Ų10552%0.52458%0.576SS.*Hα-helixtrans-64.5-39.8174.7-167.90000112.6A961 A962 S963 L967 Q969A961-S965 PolarHBondContact O-N 2.91Å; A962-S965 PolarHBondContact O-N 3.25Å; S963-S965 VanDerWaalsContact C-N 3.34Å; S963-S965 PolarHBondContact O-N 3.31Å; S965-L967 VanDerWaalsContact C-N 3.29Å; S965-L967 PolarHBondContact O-N 3.28Å; S965-Q969 WeakPolarHBondContact O-CB 2.84Å; S965-Q969 PolarHBondContact O-N 3.07Å; S965-Q969 VanDerWaalsContact O-N 3.09Å
966L49.9Very low51Low99 Ų99105.4 Ų105.452%0.51859%0.586SS.*Hα-helixtrans-67.3-28.9175.8-97.9161.5000112.7A962 S963 R970A962-L966 WeakPolarHBondContact O-CB 3.24Å; A962-L966 PolarHBondContact O-N 3.48Å; S963-L966 PolarHBondContact O-N 2.58Å; L966-R970 WeakPolarHBondContact O-CB 3.4Å; L966-R970 PolarHBondContact O-N 3.44Å
967L48.8Very low49.4Very low97 Ų97106.1 Ų106.151%0.50860%0.597SS.*Hα-helixtrans-70.8-50179.5-149.9149.8000110.7S963 N964 S965 Q969 R970 E971S963-L967 PolarHBondContact O-N 2.83Å; N964-L967 PolarHBondContact O-N 2.9Å; S965-L967 VanDerWaalsContact C-N 3.29Å; S965-L967 PolarHBondContact O-N 3.28Å; L967-Q969 VanDerWaalsContact C-N 3.29Å; L967-Q969 PolarHBondContact O-N 2.85Å; L967-R970 WeakPolarHBondContact O-CB 3.35Å; L967-R970 PolarHBondContact O-N 3.17Å; L967-R970 VanDerWaalsContact O-N 3.14Å; L967-E971 PolarHBondContact O-N 3.4Å
968L49.2Very low47.8Very low124 Ų124109.6 Ų109.665%0.64961%0.613SS**Hα-helixtrans-59.2-39.8171.4-8484000112N964 R970 E971 A972N964-L968 VanDerWaalsContact O-CD1 3.31Å; N964-L968 WeakPolarHBondContact O-CD1 3.36Å; N964-L968 PolarHBondContact O-N 3.01Å; L968-R970 VanDerWaalsContact C-N 3.28Å; L968-R970 PolarHBondContact O-N 3.3Å; L968-E971 PolarHBondContact O-N 2.89Å; L968-A972 PolarHBondContact O-N 3.44Å
969Q45.3Very low46.5Very low121 Ų121109.8 Ų109.857%0.56562%0.62SS**Hα-helixtrans-69.3-25.7179.7-161.2166.335.600112.7S965 L967 S973S965-Q969 WeakPolarHBondContact O-CB 2.84Å; S965-Q969 PolarHBondContact O-N 3.07Å; S965-Q969 VanDerWaalsContact O-N 3.09Å; L967-Q969 VanDerWaalsContact C-N 3.29Å; L967-Q969 PolarHBondContact O-N 2.85Å; Q969-S973 WeakPolarHBondContact O-CB 3.41Å; Q969-S973 PolarHBondContact O-N 3.18Å; Q969-S973 PolarHBondContact O-OG 2.97Å
970R46.1Very low44.5Very low198 Ų198111 Ų11175%0.74763%0.632SS**Hα-helixtrans-72.8-41.1173.3-127.7178.3-175.1119.51.5112.1L966 L967 L968 S973L966-R970 WeakPolarHBondContact O-CB 3.4Å; L966-R970 PolarHBondContact O-N 3.44Å; L967-R970 WeakPolarHBondContact O-CB 3.35Å; L967-R970 PolarHBondContact O-N 3.17Å; L967-R970 VanDerWaalsContact O-N 3.14Å; L968-R970 VanDerWaalsContact C-N 3.28Å; L968-R970 PolarHBondContact O-N 3.3Å; R970-S973 PolarHBondContact O-N 2.76Å
971E46.2Very low42.9Very low136 Ų136114.5 Ų114.564%0.63665%0.648SS**Hα-helixtrans-65.7-41176.5-66-176.5139.200111.6L967 L968 S973L967-E971 PolarHBondContact O-N 3.4Å; L968-E971 PolarHBondContact O-N 2.89Å; E971-S973 PolarHBondContact O-N 3.03Å
972A44.3Very low42Very low84 Ų84116.9 Ų116.969%0.69466%0.66SS**Hα-helixtrans-64.3-22.4174.300000114.3L968L968-A972 PolarHBondContact O-N 3.44Å
973S38.7Very low40.6Very low93 Ų93119.5 Ų119.565%0.6567%0.674SS**THydrogen-bonded Turntrans-92.12.5-173.8-59.30000114.3Q969 R970 E971Q969-S973 WeakPolarHBondContact O-CB 3.41Å; Q969-S973 PolarHBondContact O-N 3.18Å; Q969-S973 PolarHBondContact O-OG 2.97Å; R970-S973 PolarHBondContact O-N 2.76Å; E971-S973 PolarHBondContact O-N 3.03Å
974A38.7Very low39.3Very low76 Ų76125.4 Ų125.463%0.62870%0.695SS**SBendtrans-93.4-0.9-166.800000115.9
975L40.8Very low38.3Very low163 Ų163123.8 Ų123.885%0.85370%0.702SS**SBendtrans-13024.5-165.8-74.4175.9000116.5
976V31.4Very low37.2Very low129 Ų129125.9 Ų125.978%0.78272%0.717SS**SBendtrans-13298.3174-172.40000113.3
977V32.1Very low36.2Very low128 Ų128126.2 Ų126.278%0.77673%0.734SS**  trans65.3121.4147.4-179.90000120.6
978Q28.8Very low35.3Very low195 Ų195126.2 Ų126.291%0.91175%0.747SS**  -157157125.8-111.5-174.660.400112.5
979P35.7Very low34.3Very low103 Ų103126.9 Ų126.967%0.66976%0.757SS**  trans-115.4147.2-167.839.8-30.4000117.7
980V27Very low33.6Very low132 Ų132127.6 Ų127.680%0.877%0.769SS**  trans57.9100.3138.7-1750000121.5
981Q25.9Very low33.2Very low180 Ų180123.3 Ų123.384%0.84177%0.767SS**  trans55.9172.3134.4-77.9-157.26.400122.5
982P39.9Very low32.4Very low100 Ų100125.7 Ų125.765%0.64978%0.778SS**  cis-131.3-178.9-9.925.4-2.1000116.7
983S25.5Very low31.6Very low106 Ų106130.9 Ų130.974%0.74179%0.787SS**  trans78.5149.7152.7820000119.5
984Q30Very low32Very low193 Ų193131.1 Ų131.190%0.90279%0.787SS**  cis-161.5149.3-11.7-124.5-178.830.100112.7
985G28.5Very low31.4Very low67 Ų67136 Ų13669%0.69180%0.797SS**  trans81.4147.5154.700000118.6
986S29.6Very low30.9Very low120 Ų120130.8 Ų130.884%0.83977%0.773SS**  cis-157.1154.5-4.3-800000112.1
987A27.8Very low30.5Very low106 Ų106130.8 Ų130.888%0.87676%0.762SS**  trans70.2161.9-16800000113.9
988A29.1Very low30.1Very low96 Ų96133.8 Ų133.879%0.79376%0.76SS**  cis-127.8-1665.100000113.2
989V28.6Very low30.5Very low139 Ų139126.8 Ų126.884%0.84273%0.731SS**  trans-142.3165.2-163.6-164.20000111.9
990V30.6Very low30.4Very low135 Ų135127.7 Ų127.782%0.81874%0.735SS**  trans99.5130.9169.3-174.10000115.1
991P38.6Very low30.4Very low109 Ų109125.2 Ų125.271%0.70874%0.735SS**  trans-133.7168.2-15141.6-23.7000117.3
992Q28.6Very low30.5Very low186 Ų186119.8 Ų119.887%0.86973%0.728SS**  173.5131.8122.9-96.7-179.41200114.3
993Q28.2Very low30.1Very low192 Ų192120.5 Ų120.590%0.89774%0.742SS**  trans33.8159.3149.6-76.4-142.4-31.500125.2
994P47.1Very low30.2Very low99 Ų99119 Ų11964%0.64374%0.744SS**  trans-123.9157.4-149.241.4-27.6000117.4
995Q25.2Very low30.5Very low179 Ų179116.4 Ų116.484%0.83674%0.741SS**  trans-144.1156.6171.9-84.5-54.9-79.100111.6
996P31.3Very low31Very low53 Ų53118.8 Ų118.834%0.34474%0.744SS.*  -137.1179.2-120.533.7-12.4000117.9A541 H542A541-P996 HydrophobicContact CB-CB 4.31Å; A541-P996 HydrophobicContact CB-CG 3.72Å; A541-P996 WeakPolarHBondContact CB-O 3.35Å; H542-P996 VanDerWaalsContact O-CB 3.28Å; H542-P996 WeakPolarHBondContact O-CB 3.43Å; H542-P996 WeakPolarHBondContact O-CG 3.4Å
997K21.7Very low31.7Very low128 Ų128117.9 Ų117.956%0.55774%0.744SS**  trans-175.4107.3160.4-119.4158.3-179.9-179.30115.8M540 A541M540-K997 WeakPolarHBondContact SD-CE 3.48Å; M540-K997 PolarHBondContact SD-NZ 3.09Å; A541-K997 HydrophobicContact CB-CG 3.99Å
998W24.8Very low32.6Very low191 Ų191116.5 Ų116.572%0.72372%0.724SS**  trans170.5132.9158.1-96.2107.1000109H542 P543 V1000H542-W998 VanDerWaalsContact CB-N 3.29Å; H542-W998 WeakPolarHBondContact CB-O 3.42Å; H542-W998 PolarHBondContact CD2-N 3.43Å; H542-W998 VanDerWaalsContact CD2-N 3.3Å; P543-W998 WeakPolarHBondContact CA-O 3.32Å; P543-W998 WeakPolarHBondContact CB-O 3.36Å; W998-V1000 HydrophobicContact CE3-CG2 4.15Å; W998-V1000 HydrophobicContact CZ3-CG2 3.81Å
999P36.6Very low34.2Very low48 Ų48114.5 Ų114.531%0.31271%0.705SS.*  cis-141.3167.120.345.8-28.6000117.3H542H542-P999 PolarHBondContact CE1-O 3.1Å
1000V34.5Very low35.2Very low123 Ų123114.1 Ų114.175%0.74570%0.698SS**  27.8136.7127-169.90000121.9W998W998-V1000 HydrophobicContact CE3-CG2 4.15Å; W998-V1000 HydrophobicContact CZ3-CG2 3.81Å
1001G26Very low36.6Very low79 Ų79115 Ų11581%0.81469%0.693SS**  trans159.8128.3147.400000112.7
1002G27.4Very low37.5Very low67 Ų67114.2 Ų114.269%0.69168%0.68SS**  cis-142.5154.4-10.900000109.6
1003A32.6Very low38.8Very low114 Ų114109.6 Ų109.694%0.94266%0.66SS**  69.3121.186.600000114.4
1004G27.4Very low40.4Very low75 Ų75103.5 Ų103.577%0.77364%0.639SS**  cis169.2167.5-8.400000114.8
1005V35.3Very low41.6Very low138 Ų138104.7 Ų104.784%0.83664%0.639SS**  trans-141.8134.1159.8-179.20000105.7
1006P40.1Very low43.8Very low118 Ų118100.4 Ų100.477%0.76662%0.62SS**PPolyproline II helixtrans-74132.7-177.529.4-34.1000111.6
1007A44.3Very low45.7Very low100 Ų100102.9 Ų102.983%0.82663%0.629SS**PPolyproline II helixtrans-80.9124.2165.300000109.1
1008V47.2Very low48.1Very low77 Ų77102.4 Ų102.447%0.46763%0.629SS.*PPolyproline II helixtrans-67.9135.9176.3-176.10000109.2Q1012 L1013V1008-Q1012 HydrophobicContact CG1-CB 3.86Å; V1008-Q1012 HydrophobicContact CG1-CG 3.84Å; V1008-L1013 HydrophobicContact CG1-CG 4.07Å
1009S61.3Low50.5Low55 Ų5599.2 Ų99.239%0.38562%0.622SS.*PPolyproline II helixtrans-73153-179.379.10000111.7E1011 Q1012 L1013S1009-E1011 PolarHBondContact O-N 3.29Å; S1009-Q1012 PolarHBondContact O-N 2.8Å; S1009-Q1012 VanDerWaalsContact O-N 3.1Å; S1009-Q1012 WeakPolarHBondContact OG-CB 3.42Å; S1009-Q1012 PolarHBondContact OG-N 2.73Å; S1009-Q1012 VanDerWaalsContact OG-N 3.09Å; S1009-L1013 PolarHBondContact O-N 3.47Å
1010N51.3Low52.4Low130 Ų130100.8 Ų100.870%0.69563%0.63SS**Hα-helixtrans-65.9-26.1179.2-153.423.5000112.3S1014N1010-S1014 WeakPolarHBondContact O-CB 3.41Å; N1010-S1014 PolarHBondContact O-N 3.4Å; N1010-S1014 PolarHBondContact O-OG 2.92Å
1011E58.8Low54.2Low153 Ų15399.9 Ų99.972%0.71562%0.618SS**Hα-helixtrans-69.7-42.9171.2-61.3178.3140.200111.4S1009 S1014 L1015S1009-E1011 PolarHBondContact O-N 3.29Å; E1011-S1014 WeakPolarHBondContact O-CB 3.49Å; E1011-S1014 PolarHBondContact O-N 2.77Å; E1011-L1015 WeakPolarHBondContact O-CG 3.42Å; E1011-L1015 PolarHBondContact O-N 2.95Å
1012Q58.3Low56.5Low94 Ų94104.3 Ų104.344%0.43961%0.61SS.*Hα-helixtrans-65.7-40.3176.4-176.2173.7-20.200111.4V1008 S1009 S1014 L1015 E1016V1008-Q1012 HydrophobicContact CG1-CB 3.86Å; V1008-Q1012 HydrophobicContact CG1-CG 3.84Å; S1009-Q1012 PolarHBondContact O-N 2.8Å; S1009-Q1012 VanDerWaalsContact O-N 3.1Å; S1009-Q1012 WeakPolarHBondContact OG-CB 3.42Å; S1009-Q1012 PolarHBondContact OG-N 2.73Å; S1009-Q1012 VanDerWaalsContact OG-N 3.09Å; Q1012-S1014 VanDerWaalsContact C-N 3.32Å; Q1012-S1014 PolarHBondContact O-N 2.94Å; Q1012-L1015 PolarHBondContact O-N 3.34Å; Q1012-E1016 PolarHBondContact NE2-OE1 2.94Å; Q1012-E1016 WeakPolarHBondContact O-CB 3.48Å; Q1012-E1016 WeakPolarHBondContact O-CG 3.42Å; Q1012-E1016 PolarHBondContact O-N 3.42Å
1013L55.6Low58.9Low88 Ų88104.2 Ų104.246%0.46159%0.592SS.*Hα-helixtrans-60.6-39.1170.8-77.6165.9000112.5V1008 S1009 L1017V1008-L1013 HydrophobicContact CG1-CG 4.07Å; S1009-L1013 PolarHBondContact O-N 3.47Å; L1013-L1017 WeakPolarHBondContact O-CB 3.33Å; L1013-L1017 PolarHBondContact O-N 3.49Å
1014S60.9Low60.8Low65 Ų65103.5 Ų103.546%0.45557%0.571SS.*Hα-helixtrans-68.4-37.7177-59.90000112.4N1010 E1011 Q1012 L1017 H1018N1010-S1014 WeakPolarHBondContact O-CB 3.41Å; N1010-S1014 PolarHBondContact O-N 3.4Å; N1010-S1014 PolarHBondContact O-OG 2.92Å; E1011-S1014 WeakPolarHBondContact O-CB 3.49Å; E1011-S1014 PolarHBondContact O-N 2.77Å; Q1012-S1014 VanDerWaalsContact C-N 3.32Å; Q1012-S1014 PolarHBondContact O-N 2.94Å; S1014-L1017 PolarHBondContact O-N 3.34Å; S1014-H1018 PolarHBondContact O-N 3.03Å
1015L73.3Confident63.1Low123 Ų123101.1 Ų101.164%0.64455%0.546SS*.Hα-helixtrans-69.3-41.4174.5-72.3168.9000112E1011 Q1012 L1017 H1018 Q1019E1011-L1015 WeakPolarHBondContact O-CG 3.42Å; E1011-L1015 PolarHBondContact O-N 2.95Å; Q1012-L1015 PolarHBondContact O-N 3.34Å; L1015-L1017 VanDerWaalsContact C-N 3.33Å; L1015-H1018 PolarHBondContact O-N 3.17Å; L1015-Q1019 WeakPolarHBondContact O-CB 3.42Å; L1015-Q1019 PolarHBondContact O-N 3.34Å
1016E72.2Confident65.3Low90 Ų9098.9 Ų98.942%0.42153%0.525SS..Hα-helixtrans-61.5-41.3172.1-76.8175.8-165.300111Q1012 Q1019 V1020Q1012-E1016 PolarHBondContact NE2-OE1 2.94Å; Q1012-E1016 WeakPolarHBondContact O-CB 3.48Å; Q1012-E1016 WeakPolarHBondContact O-CG 3.42Å; Q1012-E1016 PolarHBondContact O-N 3.42Å; E1016-Q1019 PolarHBondContact O-N 3.14Å; E1016-Q1019 VanDerWaalsContact O-N 3.16Å; E1016-V1020 WeakPolarHBondContact O-CG2 3.38Å; E1016-V1020 PolarHBondContact O-N 3.13Å
1017L71.1Confident66.8Low104 Ų104100.2 Ų100.255%0.54552%0.515SS..Hα-helixtrans-61.6-49.2175-159.976.9000111.6L1013 S1014 L1015 Q1019 V1020 E1021L1013-L1017 WeakPolarHBondContact O-CB 3.33Å; L1013-L1017 PolarHBondContact O-N 3.49Å; S1014-L1017 PolarHBondContact O-N 3.34Å; L1015-L1017 VanDerWaalsContact C-N 3.33Å; L1017-Q1019 PolarHBondContact O-N 3.44Å; L1017-V1020 PolarHBondContact O-N 3.44Å; L1017-V1020 VanDerWaalsContact O-N 3.17Å; L1017-E1021 WeakPolarHBondContact O-CG 3.43Å; L1017-E1021 PolarHBondContact O-N 3.46Å
1018H71.3Confident68.4Low118 Ų11899.1 Ų99.155%0.54650%0.498SS..Hα-helixtrans-65.2-20.2174.4-9528.1000114.3S1014 L1015 E1021 R1022S1014-H1018 PolarHBondContact O-N 3.03Å; L1015-H1018 PolarHBondContact O-N 3.17Å; H1018-E1021 IonicContact CE1-OE2 3.64Å; H1018-E1021 IonicContact CG-OE2 3.96Å; H1018-E1021 IonicContact ND1-OE2 3.03Å; H1018-E1021 PolarHBondContact ND1-OE2 3.29Å; H1018-R1022 WeakPolarHBondContact O-CG 3.25Å; H1018-R1022 PolarHBondContact O-N 2.92Å; H1018-R1022 PolarHBondContact O-NE 3.22Å; H1018-R1022 VanDerWaalsContact O-NE 3.17Å
1019Q76.1Confident69.5Low125 Ų125103.2 Ų103.258%0.58451%0.505SS*.Hα-helixtrans-81.8-40.4171.9-173.2161.6-1600111.1L1015 E1016 L1017 R1022 E1023L1015-Q1019 WeakPolarHBondContact O-CB 3.42Å; L1015-Q1019 PolarHBondContact O-N 3.34Å; E1016-Q1019 PolarHBondContact O-N 3.14Å; E1016-Q1019 VanDerWaalsContact O-N 3.16Å; L1017-Q1019 PolarHBondContact O-N 3.44Å; Q1019-R1022 PolarHBondContact O-N 3.25Å; Q1019-E1023 WeakPolarHBondContact O-CB 3.32Å; Q1019-E1023 PolarHBondContact O-N 2.87Å
1020V74.8Confident70.1Confident80 Ų80104.3 Ų104.349%0.48550%0.504SS..Hα-helixtrans-63.9-42.5172.5168.80000111.3E1016 L1017 R1022 E1023 I1024E1016-V1020 WeakPolarHBondContact O-CG2 3.38Å; E1016-V1020 PolarHBondContact O-N 3.13Å; L1017-V1020 PolarHBondContact O-N 3.44Å; L1017-V1020 VanDerWaalsContact O-N 3.17Å; V1020-R1022 VanDerWaalsContact C-N 3.35Å; V1020-R1022 PolarHBondContact O-N 2.96Å; V1020-E1023 PolarHBondContact O-N 3.02Å; V1020-I1024 HydrophobicContact CG1-CD1 3.74Å; V1020-I1024 HydrophobicContact CG1-CG1 4.34Å; V1020-I1024 WeakPolarHBondContact O-CB 3.38Å; V1020-I1024 VanDerWaalsContact O-CG1 3.26Å; V1020-I1024 WeakPolarHBondContact O-CG1 3.37Å; V1020-I1024 PolarHBondContact O-N 2.92Å
1021E73.2Confident70.8Confident105 Ų105103.5 Ų103.549%0.49150%0.498SS..Hα-helixtrans-62.6-39.9175.4-72.3174.914500112L1017 H1018 G1025L1017-E1021 WeakPolarHBondContact O-CG 3.43Å; L1017-E1021 PolarHBondContact O-N 3.46Å; H1018-E1021 IonicContact CE1-OE2 3.64Å; H1018-E1021 IonicContact CG-OE2 3.96Å; H1018-E1021 IonicContact ND1-OE2 3.03Å; H1018-E1021 PolarHBondContact ND1-OE2 3.29Å; E1021-G1025 PolarHBondContact O-N 3.12Å
1022R73.4Confident71.2Confident172 Ų17298.2 Ų98.265%0.64948%0.48SS*.Hα-helixtrans-68.4-37.9173.3-79.5-173.9-67.9162.6-1.1112.8H1018 Q1019 V1020 G1025 K1026H1018-R1022 WeakPolarHBondContact O-CG 3.25Å; H1018-R1022 PolarHBondContact O-N 2.92Å; H1018-R1022 PolarHBondContact O-NE 3.22Å; H1018-R1022 VanDerWaalsContact O-NE 3.17Å; Q1019-R1022 PolarHBondContact O-N 3.25Å; V1020-R1022 VanDerWaalsContact C-N 3.35Å; V1020-R1022 PolarHBondContact O-N 2.96Å; R1022-G1025 PolarHBondContact O-N 3.09Å; R1022-K1026 VanDerWaalsContact O-CB 3.31Å; R1022-K1026 WeakPolarHBondContact O-CB 3.42Å; R1022-K1026 PolarHBondContact O-N 3.24Å
1023E78Confident71.5Confident65 Ų6599.3 Ų99.330%0.30449%0.488SS..Hα-helixtrans-69.7-38.7176.6-178.564-175.400111.6Q1019 V1020 K1026 R1027Q1019-E1023 WeakPolarHBondContact O-CB 3.32Å; Q1019-E1023 PolarHBondContact O-N 2.87Å; V1020-E1023 PolarHBondContact O-N 3.02Å; E1023-K1026 PolarHBondContact O-N 2.87Å; E1023-R1027 WeakPolarHBondContact O-CB 3.31Å; E1023-R1027 WeakPolarHBondContact O-CG 3.44Å; E1023-R1027 PolarHBondContact O-N 2.92Å; E1023-R1027 IonicContact OE1-CZ 2.78Å; E1023-R1027 IonicContact OE1-NE 2.7Å; E1023-R1027 PolarHBondContact OE1-NE 3.21Å; E1023-R1027 IonicContact OE1-NH2 2.76Å; E1023-R1027 PolarHBondContact OE1-NH2 3.46Å
1024I73.7Confident71.7Confident99 Ų99101 Ų10151%0.50849%0.493SS..Hα-helixtrans-60.6-50.6169.4-70.2165.7000109.3V1020 K1026 R1027 T1028V1020-I1024 HydrophobicContact CG1-CD1 3.74Å; V1020-I1024 HydrophobicContact CG1-CG1 4.34Å; V1020-I1024 WeakPolarHBondContact O-CB 3.38Å; V1020-I1024 VanDerWaalsContact O-CG1 3.26Å; V1020-I1024 WeakPolarHBondContact O-CG1 3.37Å; V1020-I1024 PolarHBondContact O-N 2.92Å; I1024-K1026 VanDerWaalsContact C-N 3.26Å; I1024-K1026 PolarHBondContact O-N 2.94Å; I1024-R1027 PolarHBondContact O-N 3.42Å; I1024-T1028 WeakPolarHBondContact O-CB 3.39Å; I1024-T1028 PolarHBondContact O-N 3.03Å; I1024-T1028 PolarHBondContact O-OG1 3.44Å
1025G75.9Confident71.2Confident24 Ų24104.8 Ų104.825%0.24750%0.504CS..Hα-helixtrans-61.4-31.4176.600000113.8E1021 R1022 R1029E1021-G1025 PolarHBondContact O-N 3.12Å; R1022-G1025 PolarHBondContact O-N 3.09Å; G1025-R1029 PolarHBondContact O-N 3.34Å; G1025-R1029 PolarHBondContact O-NE 3.28Å; G1025-R1029 PolarHBondContact O-NH2 2.94Å
1026K81.6Confident70Confident91 Ų91104.1 Ų104.140%0.39650%0.501SS..Hα-helixtrans-68.5-53.7172.4-179.5174.1169.3-66.80110.4R1022 E1023 I1024 T1028 R1029 E1030R1022-K1026 VanDerWaalsContact O-CB 3.31Å; R1022-K1026 WeakPolarHBondContact O-CB 3.42Å; R1022-K1026 PolarHBondContact O-N 3.24Å; E1023-K1026 PolarHBondContact O-N 2.87Å; I1024-K1026 VanDerWaalsContact C-N 3.26Å; I1024-K1026 PolarHBondContact O-N 2.94Å; K1026-T1028 VanDerWaalsContact C-N 3.33Å; K1026-T1028 PolarHBondContact O-N 3.49Å; K1026-R1029 CarbonylContact O-C 3.57Å; K1026-R1029 WeakPolarHBondContact O-CA 3.25Å; K1026-R1029 WeakPolarHBondContact O-CB 3.47Å; K1026-R1029 PolarHBondContact O-N 3.48Å; K1026-E1030 VanDerWaalsContact CE-OE1 3.28Å; K1026-E1030 WeakPolarHBondContact CE-OE1 3.37Å; K1026-E1030 VanDerWaalsContact NZ-CD 3.34Å; K1026-E1030 IonicContact NZ-OE1 3.21Å; K1026-E1030 PolarHBondContact NZ-OE1 2.91Å; K1026-E1030 IonicContact NZ-OE2 2.64Å; K1026-E1030 PolarHBondContact NZ-OE2 3Å; K1026-E1030 WeakPolarHBondContact O-CG 3.25Å; K1026-E1030 PolarHBondContact O-N 3.39Å
1027R71.1Confident68.7Low147 Ų147106 Ų10656%0.55551%0.51SS*.Hα-helixtrans-63.4-33.4178.4-69.3-176.7-168.1-160.63.2113.5E1023 I1024 R1029 E1030 M1031E1023-R1027 WeakPolarHBondContact O-CB 3.31Å; E1023-R1027 WeakPolarHBondContact O-CG 3.44Å; E1023-R1027 PolarHBondContact O-N 2.92Å; E1023-R1027 IonicContact OE1-CZ 2.78Å; E1023-R1027 IonicContact OE1-NE 2.7Å; E1023-R1027 PolarHBondContact OE1-NE 3.21Å; E1023-R1027 IonicContact OE1-NH2 2.76Å; E1023-R1027 PolarHBondContact OE1-NH2 3.46Å; I1024-R1027 PolarHBondContact O-N 3.42Å; R1027-R1029 VanDerWaalsContact C-N 3.32Å; R1027-R1029 PolarHBondContact O-N 2.99Å; R1027-E1030 PolarHBondContact O-N 3.22Å; R1027-M1031 WeakPolarHBondContact O-CB 3.47Å; R1027-M1031 VanDerWaalsContact O-CG 3.29Å; R1027-M1031 WeakPolarHBondContact O-CG 3.49Å; R1027-M1031 PolarHBondContact O-N 3.48Å
1028T77.4Confident67.6Low77 Ų77105.2 Ų105.247%0.47251%0.509SS..Hα-helixtrans-65-36.4172.6-58.60000111.6I1024 K1026 A1032I1024-T1028 WeakPolarHBondContact O-CB 3.39Å; I1024-T1028 PolarHBondContact O-N 3.03Å; I1024-T1028 PolarHBondContact O-OG1 3.44Å; K1026-T1028 VanDerWaalsContact C-N 3.33Å; K1026-T1028 PolarHBondContact O-N 3.49Å; T1028-A1032 WeakPolarHBondContact O-CB 3.49Å; T1028-A1032 PolarHBondContact O-N 2.88Å
1029R71.4Confident66.3Low163 Ų163101.7 Ų101.762%0.61550%0.501SS*.Hα-helixtrans-74.2-37.6172.9-75.3172.9-70-1520.5112.3G1025 K1026 R1027 A1032 L1033G1025-R1029 PolarHBondContact O-N 3.34Å; G1025-R1029 PolarHBondContact O-NE 3.28Å; G1025-R1029 PolarHBondContact O-NH2 2.94Å; K1026-R1029 CarbonylContact O-C 3.57Å; K1026-R1029 WeakPolarHBondContact O-CA 3.25Å; K1026-R1029 WeakPolarHBondContact O-CB 3.47Å; K1026-R1029 PolarHBondContact O-N 3.48Å; R1027-R1029 VanDerWaalsContact C-N 3.32Å; R1027-R1029 PolarHBondContact O-N 2.99Å; R1029-A1032 PolarHBondContact O-N 3.02Å; R1029-L1033 WeakPolarHBondContact O-CB 3.44Å; R1029-L1033 VanDerWaalsContact O-CG 3.27Å; R1029-L1033 WeakPolarHBondContact O-CG 3.39Å; R1029-L1033 PolarHBondContact O-N 3.3Å
1030E72.6Confident64.6Low77 Ų77101.8 Ų101.836%0.3650%0.501SS..Hα-helixtrans-65.1-41.9174.6-69.8167.5157.300111.4K1026 R1027 L1033 Q1034K1026-E1030 VanDerWaalsContact CE-OE1 3.28Å; K1026-E1030 WeakPolarHBondContact CE-OE1 3.37Å; K1026-E1030 VanDerWaalsContact NZ-CD 3.34Å; K1026-E1030 IonicContact NZ-OE1 3.21Å; K1026-E1030 PolarHBondContact NZ-OE1 2.91Å; K1026-E1030 IonicContact NZ-OE2 2.64Å; K1026-E1030 PolarHBondContact NZ-OE2 3Å; K1026-E1030 WeakPolarHBondContact O-CG 3.25Å; K1026-E1030 PolarHBondContact O-N 3.39Å; R1027-E1030 PolarHBondContact O-N 3.22Å; E1030-L1033 PolarHBondContact O-N 3.11Å; E1030-Q1034 WeakPolarHBondContact O-CB 3.48Å; E1030-Q1034 PolarHBondContact O-N 3.46Å
1031M66.1Low63Low114 Ų114101.9 Ų101.956%0.56250%0.499SS*.Hα-helixtrans-63.9-42171.3-73-172.2-56.100112.2R1027 L1033 Q1034 E1035R1027-M1031 WeakPolarHBondContact O-CB 3.47Å; R1027-M1031 VanDerWaalsContact O-CG 3.29Å; R1027-M1031 WeakPolarHBondContact O-CG 3.49Å; R1027-M1031 PolarHBondContact O-N 3.48Å; M1031-L1033 VanDerWaalsContact C-N 3.3Å; M1031-L1033 PolarHBondContact O-N 2.95Å; M1031-Q1034 CarbonylContact O-C 3.59Å; M1031-Q1034 PolarHBondContact O-N 3.34Å; M1031-E1035 WeakPolarHBondContact O-CB 3.35Å; M1031-E1035 PolarHBondContact O-N 2.86Å
1032A66.9Low61.6Low41 Ų41101.8 Ų101.834%0.33951%0.505SS..Hα-helixtrans-67.5-30.3176.300000112.7T1028 R1029 N1036T1028-A1032 WeakPolarHBondContact O-CB 3.49Å; T1028-A1032 PolarHBondContact O-N 2.88Å; R1029-A1032 PolarHBondContact O-N 3.02Å; A1032-N1036 PolarHBondContact O-N 3.01Å; A1032-N1036 PolarHBondContact O-ND2 3.1Å
1033L65.3Low59.8Low117 Ų117100.3 Ų100.361%0.61351%0.505SS*.Hα-helixtrans-71.4-44.5170.6-73.7167000110.8R1029 E1030 M1031 E1035 N1036 Q1037R1029-L1033 WeakPolarHBondContact O-CB 3.44Å; R1029-L1033 VanDerWaalsContact O-CG 3.27Å; R1029-L1033 WeakPolarHBondContact O-CG 3.39Å; R1029-L1033 PolarHBondContact O-N 3.3Å; E1030-L1033 PolarHBondContact O-N 3.11Å; M1031-L1033 VanDerWaalsContact C-N 3.3Å; M1031-L1033 PolarHBondContact O-N 2.95Å; L1033-E1035 VanDerWaalsContact C-N 3.34Å; L1033-E1035 PolarHBondContact O-N 3.08Å; L1033-N1036 CarbonylContact O-C 3.57Å; L1033-N1036 PolarHBondContact O-N 2.96Å; L1033-Q1037 WeakPolarHBondContact O-CB 3.49Å; L1033-Q1037 PolarHBondContact O-N 3.06Å
1034Q59Low57.7Low123 Ų123104.4 Ų104.458%0.57553%0.525SS*.Hα-helixtrans-65.3-32.1174.2-85.4-178.8-40.100113.1E1030 M1031 Q1037 V1038E1030-Q1034 WeakPolarHBondContact O-CB 3.48Å; E1030-Q1034 PolarHBondContact O-N 3.46Å; M1031-Q1034 CarbonylContact O-C 3.59Å; M1031-Q1034 PolarHBondContact O-N 3.34Å; Q1034-Q1037 PolarHBondContact O-N 3.3Å; Q1034-V1038 WeakPolarHBondContact O-CB 3.46Å; Q1034-V1038 VanDerWaalsContact O-CG2 3.28Å; Q1034-V1038 WeakPolarHBondContact O-CG2 3.36Å; Q1034-V1038 PolarHBondContact O-N 3.47Å
1035E50.8Low55.8Low146 Ų146109.7 Ų109.768%0.68254%0.54SS*.Hα-helixtrans-65.8-40173.2-172.1174.4-159.300110.8M1031 L1033 A1039M1031-E1035 WeakPolarHBondContact O-CB 3.35Å; M1031-E1035 PolarHBondContact O-N 2.86Å; L1033-E1035 VanDerWaalsContact C-N 3.34Å; L1033-E1035 PolarHBondContact O-N 3.08Å; E1035-A1039 VanDerWaalsContact O-CB 3.28Å; E1035-A1039 WeakPolarHBondContact O-CB 3.4Å; E1035-A1039 PolarHBondContact O-N 3.09Å
1036N47.3Very low53.9Low109 Ų109116.4 Ų116.458%0.58356%0.562SS**Hα-helixtrans-69.9-33170.5-79.2-79.9000112.8A1032 L1033 A1039 H1040A1032-N1036 PolarHBondContact O-N 3.01Å; A1032-N1036 PolarHBondContact O-ND2 3.1Å; L1033-N1036 CarbonylContact O-C 3.57Å; L1033-N1036 PolarHBondContact O-N 2.96Å; N1036-A1039 PolarHBondContact O-N 3.37Å; N1036-H1040 PolarHBondContact O-N 3.4Å
1037Q45.5Very low51.4Low128 Ų128119.5 Ų119.560%0.59858%0.58SS**Hα-helixtrans-73.5-41.6-179.7-154.4151.75700111.3L1033 Q1034 A1039 H1040 D1041L1033-Q1037 WeakPolarHBondContact O-CB 3.49Å; L1033-Q1037 PolarHBondContact O-N 3.06Å; Q1034-Q1037 PolarHBondContact O-N 3.3Å; Q1037-A1039 VanDerWaalsContact C-N 3.35Å; Q1037-H1040 CarbonylContact O-C 3.58Å; Q1037-H1040 WeakPolarHBondContact O-CA 3.23Å; Q1037-H1040 WeakPolarHBondContact O-CB 2.99Å; Q1037-H1040 PolarHBondContact O-N 3.35Å; Q1037-H1040 VanDerWaalsContact O-N 3.12Å; Q1037-D1041 PolarHBondContact O-N 2.98Å
1038V47.8Very low49.3Very low88 Ų88121.5 Ų121.553%0.53360%0.596SS.*Hα-helixtrans-65.4-36.4169.3170.70000111.1Q1034 H1040 D1041 V1042Q1034-V1038 WeakPolarHBondContact O-CB 3.46Å; Q1034-V1038 VanDerWaalsContact O-CG2 3.28Å; Q1034-V1038 WeakPolarHBondContact O-CG2 3.36Å; Q1034-V1038 PolarHBondContact O-N 3.47Å; V1038-H1040 VanDerWaalsContact C-N 3.29Å; V1038-H1040 PolarHBondContact O-N 3.3Å; V1038-D1041 PolarHBondContact O-N 3.11Å; V1038-V1042 HydrophobicContact CG1-CG2 4.23Å; V1038-V1042 VanDerWaalsContact O-CB 3.29Å; V1038-V1042 WeakPolarHBondContact O-CB 3.18Å; V1038-V1042 WeakPolarHBondContact O-CG2 3.41Å; V1038-V1042 PolarHBondContact O-N 2.95Å
1039A44.1Very low47Very low44 Ų44123.2 Ų123.236%0.36461%0.608SS.*Hα-helixtrans-62.9-36.5170.600000112E1035 N1036 Q1037 Q1043E1035-A1039 VanDerWaalsContact O-CB 3.28Å; E1035-A1039 WeakPolarHBondContact O-CB 3.4Å; E1035-A1039 PolarHBondContact O-N 3.09Å; N1036-A1039 PolarHBondContact O-N 3.37Å; Q1037-A1039 VanDerWaalsContact C-N 3.35Å; A1039-Q1043 WeakPolarHBondContact O-CB 3.45Å; A1039-Q1043 VanDerWaalsContact O-CG 3.29Å; A1039-Q1043 WeakPolarHBondContact O-CG 3.18Å; A1039-Q1043 PolarHBondContact O-N 3.34Å; A1039-Q1043 VanDerWaalsContact O-N 3.09Å
1040H41.5Very low44.9Very low127 Ų127120.4 Ų120.459%0.58862%0.619SS**Hα-helixtrans-67.9-47.4174-120.5-79.1000112.2N1036 Q1037 V1038 V1042 Q1043 Q1044N1036-H1040 PolarHBondContact O-N 3.4Å; Q1037-H1040 CarbonylContact O-C 3.58Å; Q1037-H1040 WeakPolarHBondContact O-CA 3.23Å; Q1037-H1040 WeakPolarHBondContact O-CB 2.99Å; Q1037-H1040 PolarHBondContact O-N 3.35Å; Q1037-H1040 VanDerWaalsContact O-N 3.12Å; V1038-H1040 VanDerWaalsContact C-N 3.29Å; V1038-H1040 PolarHBondContact O-N 3.3Å; H1040-V1042 PolarHBondContact O-N 3.14Å; H1040-Q1043 CarbonylContact O-C 3.44Å; H1040-Q1043 PolarHBondContact O-N 3.22Å; H1040-Q1043 VanDerWaalsContact O-N 3.16Å; H1040-Q1044 WeakPolarHBondContact O-CB 3.28Å; H1040-Q1044 PolarHBondContact O-N 2.68Å
1041D40.3Very low42.8Very low83 Ų83126.2 Ų126.244%0.44465%0.646SS.*Hα-helixtrans-59.5-45.3175.2-87.1-45.6000111.7Q1037 V1038 Q1043 Q1044 Y1045Q1037-D1041 PolarHBondContact O-N 2.98Å; V1038-D1041 PolarHBondContact O-N 3.11Å; D1041-Q1043 PolarHBondContact O-N 3.21Å; D1041-Q1044 PolarHBondContact O-N 2.87Å; D1041-Y1045 WeakPolarHBondContact O-CD2 3.06Å; D1041-Y1045 PolarHBondContact O-N 3.26Å
1042V43.1Very low41.1Very low103 Ų103128.9 Ų128.962%0.62466%0.663SS**Hα-helixtrans-66.3-25.4178.3170.90000112.1V1038 H1040V1038-V1042 HydrophobicContact CG1-CG2 4.23Å; V1038-V1042 VanDerWaalsContact O-CB 3.29Å; V1038-V1042 WeakPolarHBondContact O-CB 3.18Å; V1038-V1042 WeakPolarHBondContact O-CG2 3.41Å; V1038-V1042 PolarHBondContact O-N 2.95Å; H1040-V1042 PolarHBondContact O-N 3.14Å
1043Q36.5Very low39.3Very low140 Ų140130.4 Ų130.465%0.65468%0.683SS**Hα-helixtrans-81.6-33169.4-74.3178.3-8.800112.5A1039 H1040 D1041 Y1045 K1046A1039-Q1043 WeakPolarHBondContact O-CB 3.45Å; A1039-Q1043 VanDerWaalsContact O-CG 3.29Å; A1039-Q1043 WeakPolarHBondContact O-CG 3.18Å; A1039-Q1043 PolarHBondContact O-N 3.34Å; A1039-Q1043 VanDerWaalsContact O-N 3.09Å; H1040-Q1043 CarbonylContact O-C 3.44Å; H1040-Q1043 PolarHBondContact O-N 3.22Å; H1040-Q1043 VanDerWaalsContact O-N 3.16Å; D1041-Q1043 PolarHBondContact O-N 3.21Å; Q1043-Y1045 VanDerWaalsContact C-N 3.31Å; Q1043-Y1045 PolarHBondContact O-N 2.82Å; Q1043-K1046 PolarHBondContact O-N 3.27Å
1044Q33.2Very low37.3Very low151 Ų151132.7 Ų132.771%0.70669%0.691SS**Hα-helixtrans-71.7-25.4179-161.1160.6300112.7H1040 D1041 K1046H1040-Q1044 WeakPolarHBondContact O-CB 3.28Å; H1040-Q1044 PolarHBondContact O-N 2.68Å; D1041-Q1044 PolarHBondContact O-N 2.87Å; Q1044-K1046 VanDerWaalsContact C-N 3.33Å
1045Y35.2Very low35.9Very low210 Ų210133 Ų13382%0.82470%0.703SS**THydrogen-bonded Turntrans-84.99.9170.7-82.9-79.3000115.1D1041 Q1043D1041-Y1045 WeakPolarHBondContact O-CD2 3.06Å; D1041-Y1045 PolarHBondContact O-N 3.26Å; Q1043-Y1045 VanDerWaalsContact C-N 3.31Å; Q1043-Y1045 PolarHBondContact O-N 2.82Å
1046K36.3Very low34.7Very low166 Ų166131.6 Ų131.672%0.72270%0.696SS**SBendtrans-141.8106.2175.2-152.4172.4-174.2-179.80113.7Q1043 Q1044Q1043-K1046 PolarHBondContact O-N 3.27Å; Q1044-K1046 VanDerWaalsContact C-N 3.33Å
1047M28.8Very low33.7Very low156 Ų156134.5 Ų134.577%0.76871%0.706SS**  trans88.599.8175-49.1-91.662.100116.3
1048Q25.4Very low32.6Very low189 Ų189135.2 Ų135.288%0.88371%0.71SS**  -133.4139.1108.4-72.8-160.6-5.800110
1049P31.1Very low31.5Very low113 Ų113136.4 Ų136.473%0.73471%0.713SS**  trans-78.8145.616034-31.5000109.7
1050A27.2Very low30.6Very low103 Ų103141.9 Ų141.985%0.85173%0.731SS**  trans-109.1118.4174.200000110.5
1051E27.7Very low29.9Very low199 Ų199141.9 Ų141.993%0.9373%0.734SS**  trans-128.4131.7162.1-167.7164.6-149.700106.6
1052N30.8Very low29.3Very low171 Ų171145.9 Ų145.991%0.91475%0.751SS**  trans-83.8138-160.8-91.5-19.9000113.7
1053G28Very low28.6Very low73 Ų73147.9 Ų147.975%0.75375%0.753SS**  trans-159.5118.7168.800000111.3
1054Q24.4Very low28.4Very low165 Ų165147.8 Ų147.877%0.77176%0.756SS**  trans-30.4149.6-171.2-66178.2-9500119.3
1055P29.5Very low28.2Very low128 Ų128144.7 Ų144.783%0.83175%0.751SS**  -122.2129.5129.235.1-27.3000112
1056E24.3Very low28.2Very low118 Ų118142.6 Ų142.655%0.55175%0.753SS**  trans-127.8134.7155.9-73.8-171.8146.400108.1R699R699-E1056 IonicContact CZ-OE1 2.76Å; R699-E1056 IonicContact NH2-OE1 3.21Å; R699-E1056 PolarHBondContact NH2-OE1 3.35Å
1057H27.5Very low28.1Very low170 Ų170138.3 Ų138.379%0.78775%0.748SS**  trans33.7145.3144.8-78-120.1000120.2
1058E23.2Very low28Very low143 Ų143138.7 Ų138.767%0.66875%0.753SS**  cis-168.1174.933.1-149.2162.3-138.700113.7
1059N24.6Very low28.2Very low112 Ų112133 Ų13360%0.59975%0.745SS**  trans72.3130.6162.5-60.1-46.5000117
1060Q24.8Very low28.2Very low159 Ų159136 Ų13674%0.74375%0.749SS**  cis110.4153.926.3-85.9-168.352.800111.4
1061L26.6Very low28.2Very low127 Ų127137 Ų13767%0.66575%0.745SS**  trans73113.6175-53.2119.1000113.6
1062E28.2Very low28.2Very low168 Ų168131.6 Ų131.679%0.78573%0.729SS**  88.2151.595.6-79.4172.8174.100111.9
1063E28.5Very low28.1Very low145 Ų145131 Ų13168%0.67873%0.726SS**  cis-144.7155.46.7-123-162.8120.800108.1
1064I32Very low28Very low138 Ų138131.4 Ų131.471%0.70873%0.729SS**  49.5128.698-69.8179.7000113.9
1065S29.3Very low28.1Very low86 Ų86128.9 Ų128.960%0.60173%0.73SS**  cis-173.2167.56.6-119.80000114.8
1066L33.4Very low28Very low165 Ų165128.2 Ų128.286%0.86473%0.728SS**  trans60158144.5-64.8166.2000119.7
1067A34.3Very low28Very low76 Ų76127 Ų12763%0.62873%0.733SS**  cis-165.4179.9-19.900000107.1
1068L28.4Very low27.9Very low165 Ų165126.7 Ų126.786%0.86474%0.736SS**  cis-142.6139.821.6-69154.5000109.3
1069G28.6Very low27.9Very low70 Ų70126.8 Ų126.872%0.72274%0.736SS**  103170.610800000111.5
1070E31.2Very low27.9Very low176 Ų176128.3 Ų128.382%0.82274%0.74SS**  cis-168.1165-21.4-119.2-176.186.500107.3
1071V26.8Very low27.9Very low124 Ų124128 Ų12875%0.75274%0.744SS**  cis-138.8-82.6-0.753.40000111.8
1072S27.9Very low27.9Very low85 Ų85127 Ų12759%0.59475%0.754SS**  trans-175.9169.8-161.5-160.60000117
1073N28.2Very low27.9Very low159 Ų159126.1 Ų126.185%0.8576%0.76SS**  trans89.6138.9155.2-55.2-22.5000121
1074G26.9Very low27.7Very low81 Ų81123 Ų12384%0.83577%0.766SS**  trans144.2116.4161.700000114.3
1075S27Very low27.4Very low111 Ų111120.4 Ų120.478%0.77677%0.774SS**  trans-141.7160.3-178.761.10000113.3
1076S25.5Very low27.4Very low114 Ų114121.8 Ų121.880%0.79778%0.783SS**  trans66.4150.817271.50000116.9
1077S24.6Very low27Very low94 Ų94121.3 Ų121.366%0.65778%0.779SS**  cis-172.5139.8-16.146.70000111.5
1078L26.3Very low26.7Very low162 Ų162124.9 Ų124.985%0.84878%0.784SS**  trans60.8154.9162.6-56.1168.6000115.4
1079Q23.1Very low26.6Very low145 Ų145121.3 Ų121.368%0.67877%0.773SS**  cis-154165.513.3-163166.3-46.100110.3
1080E25.2Very low26.5Very low144 Ų144125.6 Ų125.667%0.67378%0.779SS**  trans67122.1151.9-95.9156.2-143.100124.2
1081N24.7Very low26.3Very low153 Ų153123 Ų12382%0.81877%0.774SS**  trans39.2102.6131.7-61.9-14.9000121.3
1082A25.2Very low26.4Very low107 Ų107123.6 Ų123.688%0.88477%0.774SS**  trans-165.7159.2131.100000114.7
1083V28.1Very low26.4Very low149 Ų149128.5 Ų128.590%0.90378%0.784SS**  trans-47.2139.4178.7175.50000117.5
1084G25.3Very low26.3Very low78 Ų78128.1 Ų128.180%0.80479%0.788SS**  trans104.8142.9139.300000117.6
1085G24.5Very low26.5Very low85 Ų85129 Ų12988%0.87679%0.787SS**  trans161.5137.1173.900000113.6
1086S29.2Very low26.5Very low115 Ų115127.5 Ų127.580%0.80479%0.789SS**  trans-99.2165.5-178.9-169.70000112.3
1087M26.4Very low26.6Very low155 Ų155130.5 Ų130.576%0.76480%0.796SS**  trans78.7132.4155.9-84.5-163.5-61.700122.6
1088M26.7Very low26.6Very low150 Ų150131.7 Ų131.774%0.73980%0.804SS**  trans77.8112.2143.7-64.1-64.8101.700122.3
1089S26.3Very low26.4Very low91 Ų91132 Ų13264%0.63680%0.803SS**  77.4108.1127.7-62.40000123.4
1090L26.9Very low26.5Very low160 Ų160130.4 Ų130.484%0.83881%0.807SS**  85.6148.1127.6-66.5171.3000122.4
1091T27.6Very low26.5Very low120 Ų120128.5 Ų128.574%0.73681%0.809SS**  trans87.4106.2162.467.50000121.4
1092N29Very low26.5Very low137 Ų137128.6 Ų128.673%0.73381%0.809SS**  91.5133.6120.3-84-25.7000124
1093K27.8Very low27.9Very low189 Ų189128.6 Ų128.682%0.82280%0.8SS**  trans68.3115.9144.7-68.4174.3-179.2-178.10119.5
1094T26.4Very low27.8Very low150 Ų150127.6 Ų127.692%0.9280%0.795SS**  trans-117.5133.614236.50000109.4
1095A29.9Very low27.9Very low99 Ų99130.5 Ų130.582%0.81880%0.796SS**  trans-129.6136.4166.400000107.2
1096G28.4Very low28Very low80 Ų80131.1 Ų131.183%0.82579%0.793SS**  trans-78.6151.2-175.200000113.2
1097L26.3Very low27.8Very low178 Ų178129.5 Ų129.593%0.93280%0.795SS**  trans-123.1127.5165.9-72.9174.6000109.6
1098S24.3Very low27.8Very low119 Ų119127.7 Ų127.783%0.83280%0.797SS**  trans-158.7160.3141.8-161.40000109.4
1099M23.8Very low27.9Very low169 Ų169129 Ų12983%0.83380%0.802SS**  trans-145170.8-171.2-87.5-74.6173.400111.2
1100C24.3Very low27.9Very low111 Ų111132.6 Ų132.675%0.7581%0.811SS**  trans83.7101.9163.4-60.90000120.1
1101S25.9Very low28Very low103 Ų103133.1 Ų133.172%0.7281%0.808SS**  75.9102.2113.8-48.70000122.1
1102D25.3Very low28.3Very low155 Ų155135.5 Ų135.583%0.82981%0.809SS**  41.1156.5104.9-78.4-29.7000122.8
1103P54.5Low28.2Very low107 Ų107136.4 Ų136.470%0.69581%0.813SS**  cis-140.2-173.7-24.738.2-20000113.7
1104V24.4Very low28.2Very low129 Ų129130.6 Ų130.678%0.78281%0.807SS**  176.5115127.5148.20000114.4
1105V28.4Very low28.3Very low138 Ų138130 Ų13084%0.83680%0.803SS**  trans66.8131.9143.91790000123.7
1106A25.8Very low28.3Very low98 Ų98131.1 Ų131.181%0.8180%0.8SS**  trans97.6115.7164.300000115.7
1107G26.3Very low28.4Very low82 Ų82135.2 Ų135.285%0.84580%0.797SS**  cis109.712913.700000110.4
1108S26.3Very low28.5Very low116 Ų116131.3 Ų131.381%0.81178%0.784SS**  cis-143.6151.712.5179.90000113.2
1109E27.2Very low28.9Very low178 Ų178131.6 Ų131.683%0.83279%0.785SS**  trans-49.2158.9163.8-57.9172.986.100117.3
1110M27.1Very low29.6Very low167 Ų167132.5 Ų132.582%0.82381%0.808SS**  trans-159.5118.6134.7-161.487.18000113.2
1111Q29.4Very low29.8Very low170 Ų170133.6 Ų133.679%0.79481%0.811SS**  trans11.3159.7142.8-57.7-177.813.500123
1112K32.6Very low30Very low171 Ų171135.2 Ų135.274%0.74382%0.816SS**  cis179.4167.7-22.6-161173.2-174.3174.80108.8
1113N27.6Very low30.3Very low155 Ų155134.1 Ų134.183%0.82982%0.815SS**  trans74.5149.1173.8-39.8-34.1000115
1114G28.8Very low28.9Very low67 Ų67135.6 Ų135.669%0.69182%0.822SS**  cis160.6159.9-12.800000113.7
1115V28.6Very low29.1Very low139 Ų139136.1 Ų136.184%0.84282%0.824SS**  trans77.8112.8147.9176.60000120.4
1116V29.7Very low29.2Very low122 Ų122135.9 Ų135.974%0.73982%0.824SS**  trans86.8117.4138.2163.60000123.7
1117H29.3Very low29.4Very low165 Ų165138.6 Ų138.676%0.76483%0.825SS**  trans62.1124139.7-80.6-96.5000126.6
1118S29.9Very low29.7Very low96 Ų96143 Ų14367%0.67182%0.823SS**  68.7150.7121.5-62.30000124.2
1119C31.5Very low30Very low126 Ų126145.3 Ų145.385%0.85182%0.824SS**  trans75.9136.4162.6-66.20000118.4
1120S37.8Very low30.2Very low187 Ų187142.3 Ų142.3100%1.30882%0.823SS**  cis-161.70-23.6-144.60000112

Retrieved 1,120 of 1,120 residues in 337.8 ms (Link to these results)

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