A0A077Z495_TRITR Loading...

CDC45 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z495, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 511 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
1M89.7Confident95.5Very high64 Ų6446 Ų4632%0.31522%0.215SC..  0131.50174.3-174.4176.600110.2V3 V109 E111 I115 R116 I117M1-V3 HydrophobicContact CE-CG2 4.28Å; M1-V3 HydrophobicContact CG-CG2 4.46Å; M1-V3 HydrophobicContact SD-CG2 4.41Å; M1-V109 PolarHBondContact N-O 2.77Å; M1-E111 PolarHBondContact N-O 2.82Å; M1-I115 PolarHBondContact N-O 3.12Å; M1-R116 HydrophobicContact CB-CG 4.43Å; M1-R116 CarbonylContact O-C 3.58Å; M1-R116 WeakPolarHBondContact O-CA 3.33Å; M1-R116 HydrophobicContact SD-CG 4.41Å; M1-I117 PolarHBondContact O-N 3.06Å
2L95.7Very high95.5Very high48 Ų4848.1 Ų48.125%0.25124%0.239SC..EExtended strand (participates in β ladder)trans-86.9128.4171.7-53.1-172.7000110.4L104 I117 I119 L127 I129L2-L104 HydrophobicContact CD2-CD1 4.1Å; L2-I117 HydrophobicContact CD2-CB 4.18Å; L2-I117 HydrophobicContact CD2-CD1 4.37Å; L2-I119 HydrophobicContact CD1-CD1 4.17Å; L2-I119 HydrophobicContact CD2-CD1 3.57Å; L2-I119 HydrophobicContact CG-CD1 4.28Å; L2-L127 HydrophobicContact CD1-CD1 3.96Å; L2-I129 HydrophobicContact CD1-CD1 3.83Å
3V96.6Very high95.5Very high0 Ų047.1 Ų47.10%024%0.237CC..EExtended strand (participates in β ladder)trans-109120.9-178.5172.10000108.7M1 F6 D9 F10 R116 I117 L118 I119M1-V3 HydrophobicContact CE-CG2 4.28Å; M1-V3 HydrophobicContact CG-CG2 4.46Å; M1-V3 HydrophobicContact SD-CG2 4.41Å; V3-F6 HydrophobicContact CG1-CD1 4.12Å; V3-F6 VanDerWaalsContact O-CE1 3.32Å; V3-F6 WeakPolarHBondContact O-CE1 3.48Å; V3-D9 HydrophobicContact CG1-CB 3.77Å; V3-D9 HydrophobicContact CG2-CB 4.23Å; V3-F10 HydrophobicContact CG1-CB 4.41Å; V3-R116 HydrophobicContact CG2-CB 3.83Å; V3-R116 HydrophobicContact CG2-CG 4.35Å; V3-I117 PolarHBondContact N-O 2.95Å; V3-L118 HydrophobicContact CB-CD1 4.39Å; V3-L118 HydrophobicContact CB-CG 4.38Å; V3-L118 HydrophobicContact CG1-CD1 4.46Å; V3-L118 HydrophobicContact CG1-CG 4.24Å; V3-L118 WeakPolarHBondContact O-CA 3.47Å; V3-I119 PolarHBondContact O-N 3.17Å
4T95.9Very high95.6Very high56 Ų5643.7 Ų43.734%0.34422%0.22SC..  trans-117.5-25.8175.954.70000112.5F6 I121 V124T4-F6 PolarHBondContact O-N 3.02Å; T4-I121 HydrophobicContact CG2-CB 4.25Å; T4-I121 HydrophobicContact CG2-CG1 4.43Å; T4-V124 HydrophobicContact CG2-CG2 3.81Å
5D96.3Very high95.5Very high52 Ų5245.5 Ų45.528%0.27823%0.226SC..  trans-89.384.6170.6-172.8-20.2000109.8K7 R8 D9D5-K7 PolarHBondContact O-N 3.37Å; D5-K7 PolarHBondContact OD1-N 3.26Å; D5-R8 HydrophobicContact CB-CB 4.28Å; D5-R8 VanDerWaalsContact CG-CB 3.44Å; D5-R8 PolarHBondContact O-N 2.95Å; D5-R8 WeakPolarHBondContact OD1-CB 3.21Å; D5-R8 PolarHBondContact OD1-N 2.84Å; D5-R8 WeakPolarHBondContact OD2-CB 3.39Å; D5-R8 IonicContact OD2-CZ 3.98Å; D5-R8 IonicContact OD2-NE 3.05Å; D5-R8 IonicContact OD2-NH1 3Å; D5-R8 PolarHBondContact OD2-NH1 3.4Å; D5-D9 PolarHBondContact O-N 3.21Å
6F95.6Very high95.4Very high7 Ų751.9 Ų51.93%0.03125%0.246CC..Iπ-helixtrans-63.9-23.9-175.6-58.1-15.6000113.1V3 T4 F10 Y11 L118 I119 L195 S198 L199V3-F6 HydrophobicContact CG1-CD1 4.12Å; V3-F6 VanDerWaalsContact O-CE1 3.32Å; V3-F6 WeakPolarHBondContact O-CE1 3.48Å; T4-F6 PolarHBondContact O-N 3.02Å; F6-F10 WeakPolarHBondContact O-CB 3.32Å; F6-Y11 WeakPolarHBondContact O-CB 3.36Å; F6-Y11 PolarHBondContact O-N 3.36Å; F6-L118 HydrophobicContact CD1-CB 4.45Å; F6-L118 HydrophobicContact CD1-CD2 3.93Å; F6-L118 HydrophobicContact CD1-CG 4Å; F6-L118 HydrophobicContact CE1-CB 3.93Å; F6-L118 HydrophobicContact CE1-CD2 4.18Å; F6-L118 HydrophobicContact CE1-CG 3.99Å; F6-L118 HydrophobicContact CG-CD2 4.21Å; F6-L118 HydrophobicContact CZ-CB 4.36Å; F6-I119 WeakPolarHBondContact CE1-O 3.36Å; F6-I119 WeakPolarHBondContact CZ-O 3.44Å; F6-L195 HydrophobicContact CE2-CB 4.31Å; F6-L195 HydrophobicContact CE2-CD2 4.36Å; F6-L195 VanDerWaalsContact CE2-O 3.3Å; F6-L195 WeakPolarHBondContact CE2-O 3.38Å; F6-L195 HydrophobicContact CZ-CD2 4.14Å; F6-S198 VanDerWaalsContact CD2-OG 3.23Å; F6-S198 WeakPolarHBondContact CD2-OG 3.25Å; F6-S198 WeakPolarHBondContact CE2-OG 3.24Å; F6-L199 HydrophobicContact CB-CB 4.31Å; F6-L199 HydrophobicContact CB-CD1 4.18Å
7K95.2Very high95.4Very high97 Ų9754.8 Ų54.842%0.42226%0.258SS..Iπ-helixtrans-75.6-50.2177.6179.9175.7-178.4170.60110.7D5 S12 L199 I202 L203D5-K7 PolarHBondContact O-N 3.37Å; D5-K7 PolarHBondContact OD1-N 3.26Å; K7-S12 VanDerWaalsContact O-CB 3.28Å; K7-S12 WeakPolarHBondContact O-CB 3.33Å; K7-S12 PolarHBondContact O-N 3.2Å; K7-S12 PolarHBondContact O-OG 2.91Å; K7-L199 HydrophobicContact CB-CD1 4.28Å; K7-I202 HydrophobicContact CB-CG2 3.85Å; K7-I202 HydrophobicContact CD-CG2 3.77Å; K7-I202 HydrophobicContact CG-CG2 4.39Å; K7-L203 HydrophobicContact CD-CD2 4.35Å; K7-L203 HydrophobicContact CG-CD2 4.4Å
8R96Very high95.4Very high147 Ų14755.7 Ų55.756%0.55526%0.262SS*.Iπ-helixtrans-75.7-51-174.9-174.3-173.466.2-1394.8111.9D5D5-R8 HydrophobicContact CB-CB 4.28Å; D5-R8 VanDerWaalsContact CG-CB 3.44Å; D5-R8 PolarHBondContact O-N 2.95Å; D5-R8 WeakPolarHBondContact OD1-CB 3.21Å; D5-R8 PolarHBondContact OD1-N 2.84Å; D5-R8 WeakPolarHBondContact OD2-CB 3.39Å; D5-R8 IonicContact OD2-CZ 3.98Å; D5-R8 IonicContact OD2-NE 3.05Å; D5-R8 IonicContact OD2-NH1 3Å; D5-R8 PolarHBondContact OD2-NH1 3.4Å
9D96.3Very high95.5Very high26 Ų2652.8 Ų52.814%0.13925%0.248CC..Iπ-helixtrans-94.8-13.4-163.9-62.1-29.6000113.1V3 D5 V13 F96 R116V3-D9 HydrophobicContact CG1-CB 3.77Å; V3-D9 HydrophobicContact CG2-CB 4.23Å; D5-D9 PolarHBondContact O-N 3.21Å; D9-V13 WeakPolarHBondContact O-CG2 3.37Å; D9-F96 WeakPolarHBondContact O-CE1 3.49Å; D9-R116 PolarHBondContact O-NH1 2.82Å; D9-R116 VanDerWaalsContact O-NH1 3.16Å
10F97.1Very high95.7Very high1 Ų150.2 Ų50.20%0.00424%0.236CC..Iπ-helixtrans-116.5-72.5174.2167.9-120.6000112.2V3 F6 S12 V13 V14 L36 F40 I73 F96 I98 L118 L199V3-F10 HydrophobicContact CG1-CB 4.41Å; F6-F10 WeakPolarHBondContact O-CB 3.32Å; F10-S12 PolarHBondContact O-N 3.05Å; F10-V13 WeakPolarHBondContact O-CB 3.37Å; F10-V13 PolarHBondContact O-N 3.12Å; F10-V14 HydrophobicContact CD2-CG1 4.29Å; F10-V14 HydrophobicContact CD2-CG2 4.41Å; F10-V14 HydrophobicContact CE2-CG1 4.18Å; F10-V14 HydrophobicContact CE2-CG2 4.15Å; F10-V14 HydrophobicContact CZ-CG2 4.47Å; F10-V14 PolarHBondContact O-N 3.24Å; F10-V14 VanDerWaalsContact O-N 3.15Å; F10-L36 HydrophobicContact CE1-CD2 4.16Å; F10-L36 HydrophobicContact CZ-CD2 3.96Å; F10-F40 HydrophobicContact CZ-CZ 4.42Å; F10-I73 HydrophobicContact CE2-CD1 3.82Å; F10-I73 HydrophobicContact CE2-CG1 4.16Å; F10-I73 HydrophobicContact CZ-CD1 3.93Å; F10-F96 HydrophobicContact CB-CD1 4.24Å; F10-F96 HydrophobicContact CB-CE1 4.07Å; F10-F96 HydrophobicContact CD2-CB 4.04Å; F10-F96 AromaticContact CD2-CD1 3.44Å; F10-F96 HydrophobicContact CD2-CD1 3.44Å; F10-F96 VanDerWaalsContact CD2-CD1 3.44Å; F10-F96 AromaticContact CD2-CD2 3.98Å; F10-F96 HydrophobicContact CD2-CD2 3.98Å; F10-F96 AromaticContact CD2-CE1 3.75Å; F10-F96 HydrophobicContact CD2-CE1 3.75Å; F10-F96 HydrophobicContact CD2-CE2 4.26Å; F10-F96 AromaticContact CD2-CG 3.54Å; F10-F96 HydrophobicContact CD2-CG 3.54Å; F10-F96 HydrophobicContact CD2-CZ 4.15Å; F10-F96 HydrophobicContact CE2-CB 3.97Å; F10-F96 HydrophobicContact CE2-CD1 4.22Å; F10-F96 HydrophobicContact CE2-CD2 4.16Å; F10-F96 AromaticContact CE2-CG 3.86Å; F10-F96 HydrophobicContact CE2-CG 3.86Å; F10-F96 HydrophobicContact CG-CD1 4.27Å; F10-F96 HydrophobicContact CG-CE1 4.41Å; F10-I98 HydrophobicContact CZ-CD1 4.17Å; F10-L118 HydrophobicContact CB-CD1 4.39Å; F10-L118 HydrophobicContact CB-CD2 4.28Å; F10-L118 HydrophobicContact CD1-CD2 3.76Å; F10-L118 HydrophobicContact CD2-CD1 4.41Å; F10-L118 HydrophobicContact CE1-CD2 4.18Å; F10-L118 HydrophobicContact CG-CD1 4.35Å; F10-L118 HydrophobicContact CG-CD2 3.95Å; F10-L199 HydrophobicContact CD1-CD2 4.09Å; F10-L199 HydrophobicContact CE1-CD2 4.04Å
11Y95.8Very high95.8Very high8 Ų847.9 Ų47.93%0.03123%0.225CC..Iπ-helixtrans-58.7-48.3-169.6-177.4-115.2000113.1F6 V13 V14 K15 V39 F40 D43 L199 L203F6-Y11 WeakPolarHBondContact O-CB 3.36Å; F6-Y11 PolarHBondContact O-N 3.36Å; Y11-V13 PolarHBondContact O-N 3.19Å; Y11-V14 WeakPolarHBondContact O-CG2 3.32Å; Y11-V14 PolarHBondContact O-N 2.76Å; Y11-K15 HydrophobicContact CE1-CD 4.04Å; Y11-K15 WeakPolarHBondContact O-CB 3.48Å; Y11-K15 PolarHBondContact O-N 3.35Å; Y11-V39 HydrophobicContact CD2-CG1 3.63Å; Y11-V39 HydrophobicContact CE2-CG1 3.24Å; Y11-V39 PolarHBondContact OH-O 3.11Å; Y11-F40 HydrophobicContact CD2-CE1 4.49Å; Y11-F40 HydrophobicContact CE2-CD1 4.35Å; Y11-D43 WeakPolarHBondContact OH-CB 3.39Å; Y11-D43 PolarHBondContact OH-OD2 2.89Å; Y11-L199 HydrophobicContact CD2-CD2 4.09Å; Y11-L199 HydrophobicContact CG-CD1 4.32Å; Y11-L199 HydrophobicContact CG-CD2 4.17Å; Y11-L203 HydrophobicContact CD1-CD1 4.01Å; Y11-L203 HydrophobicContact CD1-CD2 3.86Å; Y11-L203 HydrophobicContact CD2-CD1 4.49Å; Y11-L203 HydrophobicContact CE1-CD1 3.77Å; Y11-L203 HydrophobicContact CE1-CD2 3.83Å; Y11-L203 HydrophobicContact CE1-CG 4.48Å; Y11-L203 HydrophobicContact CE2-CD1 4.29Å; Y11-L203 HydrophobicContact CG-CD1 4.35Å
12S95.6Very high96.3Very high71 Ų7144.8 Ų44.850%0.49721%0.21SC..Hα-helixtrans-64.1-21.4179.6-59.30000113.2K7 F10K7-S12 VanDerWaalsContact O-CB 3.28Å; K7-S12 WeakPolarHBondContact O-CB 3.33Å; K7-S12 PolarHBondContact O-N 3.2Å; K7-S12 PolarHBondContact O-OG 2.91Å; F10-S12 PolarHBondContact O-N 3.05Å
13V95.8Very high96.4Very high35 Ų3542.5 Ų42.521%0.21220%0.198CC..Hα-helixtrans-80.6-42.8178.1-178.60000110.9D9 F10 Y11 Y71 F96D9-V13 WeakPolarHBondContact O-CG2 3.37Å; F10-V13 WeakPolarHBondContact O-CB 3.37Å; F10-V13 PolarHBondContact O-N 3.12Å; Y11-V13 PolarHBondContact O-N 3.19Å; V13-Y71 HydrophobicContact CG1-CD1 4.35Å; V13-Y71 HydrophobicContact CG1-CE1 3.63Å; V13-F96 HydrophobicContact CB-CZ 4.06Å; V13-F96 HydrophobicContact CG1-CE2 4.39Å; V13-F96 HydrophobicContact CG1-CZ 3.95Å
14V96Very high96.4Very high0 Ų042.7 Ų42.70%020%0.199CC..Hα-helixtrans-87.8-19.7-177.1-60.80000113.9F10 Y11 R16 K17 V19 F40 T45 Y71 F96F10-V14 HydrophobicContact CD2-CG1 4.29Å; F10-V14 HydrophobicContact CD2-CG2 4.41Å; F10-V14 HydrophobicContact CE2-CG1 4.18Å; F10-V14 HydrophobicContact CE2-CG2 4.15Å; F10-V14 HydrophobicContact CZ-CG2 4.47Å; F10-V14 PolarHBondContact O-N 3.24Å; F10-V14 VanDerWaalsContact O-N 3.15Å; Y11-V14 WeakPolarHBondContact O-CG2 3.32Å; Y11-V14 PolarHBondContact O-N 2.76Å; V14-R16 PolarHBondContact O-N 2.93Å; V14-K17 VanDerWaalsContact O-CB 3.26Å; V14-K17 WeakPolarHBondContact O-CB 3.39Å; V14-K17 PolarHBondContact O-N 3.25Å; V14-V19 HydrophobicContact CB-CG1 3.86Å; V14-V19 HydrophobicContact CG1-CG1 4.16Å; V14-F40 HydrophobicContact CG2-CE1 3.84Å; V14-F40 HydrophobicContact CG2-CZ 4.13Å; V14-T45 WeakPolarHBondContact O-CG2 3.38Å; V14-Y71 HydrophobicContact CG1-CD1 4.44Å; V14-F96 HydrophobicContact CG1-CD2 3.84Å; V14-F96 HydrophobicContact CG1-CE2 3.41Å; V14-F96 VanDerWaalsContact CG1-CE2 3.41Å; V14-F96 HydrophobicContact CG1-CZ 4.14Å
15K94.6Very high96.4Very high71 Ų7141.4 Ų41.431%0.30919%0.188SC..THydrogen-bonded Turntrans-52.9131.5-178.9169.5168.1171.9156.20111.9Y11 K17 D43 T45Y11-K15 HydrophobicContact CE1-CD 4.04Å; Y11-K15 WeakPolarHBondContact O-CB 3.48Å; Y11-K15 PolarHBondContact O-N 3.35Å; K15-K17 PolarHBondContact O-N 3.44Å; K15-D43 HydrophobicContact CD-CB 4.14Å; K15-D43 WeakPolarHBondContact CD-OD2 3.47Å; K15-D43 WeakPolarHBondContact CE-OD1 3.45Å; K15-D43 WeakPolarHBondContact CE-OD2 3.3Å; K15-D43 HydrophobicContact CG-CB 4.03Å; K15-D43 IonicContact NZ-OD1 3.52Å; K15-D43 PolarHBondContact NZ-OD1 3.48Å; K15-D43 IonicContact NZ-OD2 2.69Å; K15-D43 PolarHBondContact NZ-OD2 3.28Å; K15-T45 WeakPolarHBondContact CA-OG1 3.27Å
16R94.1Very high96.4Very high147 Ų14739.9 Ų39.956%0.55518%0.179SC*.THydrogen-bonded Turntrans60.122.9-178.3-60.6174-174.2-73.8-14.2113.8V14 D43 D44 T45V14-R16 PolarHBondContact O-N 2.93Å; R16-D43 WeakPolarHBondContact CG-O 3.46Å; R16-D43 IonicContact CZ-OD1 2.66Å; R16-D43 IonicContact NH2-OD1 3.92Å; R16-D43 PolarHBondContact NH2-OD1 2.91Å; R16-D43 VanDerWaalsContact NH2-OD1 3.09Å; R16-D44 IonicContact NH1-OD2 3.58Å; R16-D44 PolarHBondContact NH1-OD2 2.96Å; R16-T45 PolarHBondContact N-OG1 3.39Å
17K94.8Very high96.5Very high102 Ų10239.6 Ų39.644%0.44318%0.178SC..SBendtrans-108164.7169.9-54.8-62.3-177.2178.90109.7V14 K15 T45 T46 Y71V14-K17 VanDerWaalsContact O-CB 3.26Å; V14-K17 WeakPolarHBondContact O-CB 3.39Å; V14-K17 PolarHBondContact O-N 3.25Å; K15-K17 PolarHBondContact O-N 3.44Å; K17-T45 WeakPolarHBondContact O-CG2 3.36Å; K17-T46 PolarHBondContact O-N 3.17Å; K17-Y71 HydrophobicContact CB-CD2 3.93Å; K17-Y71 HydrophobicContact CB-CE2 4.1Å; K17-Y71 HydrophobicContact CD-CE2 4.18Å; K17-Y71 HydrophobicContact CG-CD2 4.1Å; K17-Y71 HydrophobicContact CG-CE2 3.76Å
18H96.1Very high96.6Very high71 Ų7135 Ų3533%0.32916%0.158SC..EExtended strand (participates in β ladder)trans-88.3123.2165.1-176.5-124.6000108.7T46 S48 V69H18-T46 VanDerWaalsContact CA-O 3.31Å; H18-T46 WeakPolarHBondContact CA-O 3.48Å; H18-T46 WeakPolarHBondContact CA-OG1 3.35Å; H18-T46 WeakPolarHBondContact CB-OG1 3.43Å; H18-T46 PolarHBondContact CD2-OG1 2.96Å; H18-T46 VanDerWaalsContact CD2-OG1 3.32Å; H18-S48 PolarHBondContact CE1-OG 3.38Å; H18-S48 VanDerWaalsContact CE1-OG 3.23Å; H18-S48 PolarHBondContact NE2-OG 3.46Å; H18-V69 VanDerWaalsContact ND1-CG1 3.3Å; H18-V69 WeakPolarHBondContact ND1-CG1 3.31Å
19V97.8Very high96.7Very high0 Ų028 Ų280%013%0.131CC..EExtended strand (participates in β ladder)trans-115.5145.3-179.1-57.10000111.6V14 I21 F40 T45 T46 Y47 S48 I73V14-V19 HydrophobicContact CB-CG1 3.86Å; V14-V19 HydrophobicContact CG1-CG1 4.16Å; V19-I21 HydrophobicContact CG2-CG1 4.21Å; V19-F40 HydrophobicContact CG2-CD2 4.28Å; V19-F40 HydrophobicContact CG2-CE2 3.71Å; V19-F40 HydrophobicContact CG2-CZ 4.3Å; V19-T45 HydrophobicContact CG1-CG2 4.49Å; V19-T46 PolarHBondContact N-O 3.48Å; V19-Y47 CarbonylContact O-C 3.57Å; V19-Y47 WeakPolarHBondContact O-CA 3.45Å; V19-S48 PolarHBondContact O-N 2.84Å; V19-I73 HydrophobicContact CB-CD1 4.32Å; V19-I73 HydrophobicContact CG2-CD1 4.13Å
20L98.7Very high96.8Very high0 Ų026.7 Ų26.70%013%0.125CC..EExtended strand (participates in β ladder)trans-96.5125167.4173.370.5000109L22 S48 V50 Y65 V69 Y71 V72 I73L20-L22 HydrophobicContact CD1-CD2 3.82Å; L20-L22 HydrophobicContact CD2-CD1 4.06Å; L20-L22 HydrophobicContact CD2-CD2 3.87Å; L20-L22 HydrophobicContact CD2-CG 4.02Å; L20-L22 HydrophobicContact CG-CD2 3.77Å; L20-L22 HydrophobicContact CG-CG 3.98Å; L20-S48 CarbonylContact C-O 3.52Å; L20-S48 WeakPolarHBondContact CA-O 3.5Å; L20-V50 HydrophobicContact CD1-CG2 4.06Å; L20-Y65 HydrophobicContact CD1-CD1 3.95Å; L20-Y65 HydrophobicContact CD1-CD2 3.98Å; L20-Y65 HydrophobicContact CD1-CE1 4.31Å; L20-Y65 HydrophobicContact CD1-CE2 4.36Å; L20-Y65 HydrophobicContact CD1-CG 3.76Å; L20-Y65 HydrophobicContact CD2-CG 4.18Å; L20-V69 HydrophobicContact CB-CB 4.48Å; L20-V69 HydrophobicContact CB-CG1 4.42Å; L20-V69 HydrophobicContact CB-CG2 3.77Å; L20-V69 HydrophobicContact CD2-CG2 4.32Å; L20-Y71 PolarHBondContact N-O 2.83Å; L20-V72 HydrophobicContact CB-CG2 4.45Å; L20-V72 HydrophobicContact CD2-CG1 4.2Å; L20-V72 HydrophobicContact CD2-CG2 4.28Å; L20-V72 HydrophobicContact CG-CG1 4.47Å; L20-V72 CarbonylContact O-C 3.49Å; L20-V72 VanDerWaalsContact O-CA 3.31Å; L20-V72 WeakPolarHBondContact O-CA 3.31Å; L20-I73 PolarHBondContact O-N 2.81Å
21I98.8Very high96.9Very high2 Ų226.7 Ų26.71%0.0113%0.125CC..EExtended strand (participates in β ladder)trans-105.9116.6173.9-50.1176.2000107.6V19 L36 F40 Y47 S48 L49 V50 I73 V75V19-I21 HydrophobicContact CG2-CG1 4.21Å; I21-L36 HydrophobicContact CD1-CD1 4.44Å; I21-F40 HydrophobicContact CD1-CD2 4.43Å; I21-F40 HydrophobicContact CD1-CE2 3.99Å; I21-Y47 HydrophobicContact CD1-CD2 3.82Å; I21-Y47 HydrophobicContact CD1-CG 3.98Å; I21-S48 PolarHBondContact N-O 2.92Å; I21-L49 HydrophobicContact CB-CD1 3.79Å; I21-L49 HydrophobicContact CG2-CD1 3.65Å; I21-L49 WeakPolarHBondContact O-CA 3.4Å; I21-V50 PolarHBondContact O-N 3.37Å; I21-I73 CarbonylContact C-O 3.56Å; I21-I73 WeakPolarHBondContact CA-O 3.46Å; I21-I73 HydrophobicContact CG1-CB 4.36Å; I21-I73 HydrophobicContact CG1-CD1 4.38Å; I21-V75 HydrophobicContact CG2-CG2 3.91Å
22L98.8Very high97Very high0 Ų026.3 Ų26.30%012%0.123CC..EExtended strand (participates in β ladder)trans-105.7122.2172.3-53.1177.2000107.7L20 V50 V52 L58 A61 V72 I73 L74 V75 C77L20-L22 HydrophobicContact CD1-CD2 3.82Å; L20-L22 HydrophobicContact CD2-CD1 4.06Å; L20-L22 HydrophobicContact CD2-CD2 3.87Å; L20-L22 HydrophobicContact CD2-CG 4.02Å; L20-L22 HydrophobicContact CG-CD2 3.77Å; L20-L22 HydrophobicContact CG-CG 3.98Å; L22-V50 WeakPolarHBondContact CA-O 3.35Å; L22-V50 HydrophobicContact CD2-CB 3.81Å; L22-V50 HydrophobicContact CD2-CG2 4.41Å; L22-V52 HydrophobicContact CB-CG2 4.28Å; L22-V52 HydrophobicContact CD2-CG1 4.47Å; L22-L58 HydrophobicContact CB-CD1 3.83Å; L22-L58 HydrophobicContact CD1-CD1 3.49Å; L22-L58 VanDerWaalsContact CD1-CD1 3.49Å; L22-L58 HydrophobicContact CG-CD1 4.26Å; L22-A61 HydrophobicContact CD2-CB 3.77Å; L22-V72 HydrophobicContact CD1-CG1 4.05Å; L22-V72 HydrophobicContact CG-CG1 4.3Å; L22-I73 PolarHBondContact N-O 3.02Å; L22-L74 HydrophobicContact CB-CD2 3.74Å; L22-L74 HydrophobicContact CD1-CD2 3.84Å; L22-L74 HydrophobicContact CG-CD2 4.16Å; L22-L74 CarbonylContact O-C 3.47Å; L22-L74 WeakPolarHBondContact O-CA 3.34Å; L22-V75 PolarHBondContact O-N 2.75Å; L22-C77 PolarHBondContact O-SG 3.01Å
23S98.6Very high97.1Very high0 Ų023 Ų230%010%0.1CC..EExtended strand (participates in β ladder)trans-127.4134.6-167.9-170.10000111.6S29 C33 V50 P51 V52S23-S29 WeakPolarHBondContact OG-CB 3.44Å; S23-C33 PolarHBondContact OG-SG 3.18Å; S23-V50 PolarHBondContact N-O 2.82Å; S23-V50 VanDerWaalsContact N-O 3.13Å; S23-P51 CarbonylContact O-C 3.59Å; S23-P51 VanDerWaalsContact O-CA 3.24Å; S23-P51 WeakPolarHBondContact O-CA 3.39Å; S23-V52 PolarHBondContact O-N 3.07Å
24S97.6Very high97.1Very high3 Ų322 Ų222%0.0219%0.093CC..  trans-69.6160.1172.372.30000112.2E26 S29 V52 V75 N76S24-E26 VanDerWaalsContact C-N 3.29Å; S24-E26 WeakPolarHBondContact CB-OE1 3.26Å; S24-E26 PolarHBondContact O-N 3.3Å; S24-E26 WeakPolarHBondContact OG-CG 3.5Å; S24-E26 PolarHBondContact OG-OE1 3.17Å; S24-S29 WeakPolarHBondContact O-CB 3.38Å; S24-S29 PolarHBondContact O-OG 3.14Å; S24-S29 PolarHBondContact OG-OG 2.83Å; S24-V52 WeakPolarHBondContact CA-O 3.38Å; S24-V75 PolarHBondContact N-O 2.78Å; S24-N76 WeakPolarHBondContact CB-O 3.32Å; S24-N76 VanDerWaalsContact OG-CB 3.26Å; S24-N76 WeakPolarHBondContact OG-CB 3.28Å; S24-N76 PolarHBondContact OG-O 2.85Å
25Y95.9Very high97.1Very high30 Ų3022 Ų2212%0.1189%0.093CC..SBendtrans-80.572.8173-68.3-85.3000111.1P51 L378 F379 C385 S386 A387 F390Y25-P51 HydrophobicContact CD1-CB 4.46Å; Y25-P51 HydrophobicContact CE1-CB 3.78Å; Y25-P51 HydrophobicContact CE1-CG 4.25Å; Y25-P51 HydrophobicContact CE2-CB 4.18Å; Y25-L378 HydrophobicContact CD1-CD2 4.28Å; Y25-F379 WeakPolarHBondContact O-CZ 3.26Å; Y25-C385 HydrophobicContact CD1-CB 4.16Å; Y25-C385 HydrophobicContact CD2-CB 4.13Å; Y25-C385 HydrophobicContact CE1-CB 4.46Å; Y25-C385 WeakPolarHBondContact CE1-O 3.25Å; Y25-C385 HydrophobicContact CE2-CB 4.43Å; Y25-C385 WeakPolarHBondContact CE2-O 3.48Å; Y25-C385 HydrophobicContact CG-CB 3.99Å; Y25-C385 PolarHBondContact OH-O 3.27Å; Y25-S386 VanDerWaalsContact CE1-O 3.31Å; Y25-S386 WeakPolarHBondContact CE1-O 3.47Å; Y25-A387 PolarHBondContact OH-N 2.84Å; Y25-F390 HydrophobicContact CD1-CB 4.11Å; Y25-F390 AromaticContact CD1-CD2 3.99Å; Y25-F390 HydrophobicContact CD1-CD2 3.99Å; Y25-F390 HydrophobicContact CE1-CB 3.76Å; Y25-F390 HydrophobicContact CE1-CD2 4.22Å; Y25-F390 HydrophobicContact CE1-CG 4.39Å
26E95.7Very high97.3Very high20 Ų2018.6 Ų18.69%0.0938%0.078CC..SBendtrans-131.9154.2175.4-58.9164.6-14000110.3S24 D28 S29 L30 N76 K101S24-E26 VanDerWaalsContact C-N 3.29Å; S24-E26 WeakPolarHBondContact CB-OE1 3.26Å; S24-E26 PolarHBondContact O-N 3.3Å; S24-E26 WeakPolarHBondContact OG-CG 3.5Å; S24-E26 PolarHBondContact OG-OE1 3.17Å; E26-D28 VanDerWaalsContact C-N 3.33Å; E26-D28 PolarHBondContact O-N 3.41Å; E26-S29 WeakPolarHBondContact CB-OG 3.41Å; E26-S29 WeakPolarHBondContact O-CB 3.36Å; E26-S29 PolarHBondContact O-N 3.47Å; E26-S29 VanDerWaalsContact O-N 3.16Å; E26-L30 PolarHBondContact O-N 3.03Å; E26-N76 PolarHBondContact OE2-ND2 2.84Å; E26-K101 IonicContact OE1-NZ 3.51Å; E26-K101 PolarHBondContact OE1-NZ 3.49Å; E26-K101 IonicContact OE2-NZ 2.76Å
27V96.4Very high97.3Very high0 Ų013.3 Ų13.30%06%0.06CC..Hα-helixtrans-64-40.5177.6176.20000111.4S29 L30 C31 I216 A371 L374 A375 L378V27-S29 VanDerWaalsContact C-N 3.28Å; V27-S29 PolarHBondContact O-N 3.3Å; V27-L30 WeakPolarHBondContact O-CB 3.24Å; V27-L30 PolarHBondContact O-N 3.27Å; V27-C31 PolarHBondContact O-N 3.31Å; V27-C31 VanDerWaalsContact O-N 3.12Å; V27-C31 PolarHBondContact O-SG 2.91Å; V27-I216 HydrophobicContact CG1-CG2 4.04Å; V27-A371 HydrophobicContact CG1-CB 4.34Å; V27-L374 HydrophobicContact CG1-CB 3.99Å; V27-L374 HydrophobicContact CG1-CD1 3.88Å; V27-L374 HydrophobicContact CG2-CB 3.9Å; V27-A375 HydrophobicContact CG2-CB 3.86Å; V27-L378 HydrophobicContact CG2-CD1 4.31Å
28D98.5Very high97.2Very high0 Ų010 Ų100%05%0.046CC..Hα-helixtrans-61.3-38.6174.1179.438.9000111.4E26 C31 C32 N76 N100 A191 S192 S193E26-D28 VanDerWaalsContact C-N 3.33Å; E26-D28 PolarHBondContact O-N 3.41Å; D28-C31 PolarHBondContact O-N 3.38Å; D28-C32 VanDerWaalsContact O-CB 3.28Å; D28-C32 WeakPolarHBondContact O-CB 3.26Å; D28-C32 PolarHBondContact O-N 3.04Å; D28-N76 PolarHBondContact OD2-ND2 2.82Å; D28-N100 PolarHBondContact OD2-ND2 3.33Å; D28-A191 WeakPolarHBondContact OD1-CB 3.36Å; D28-S192 PolarHBondContact OD1-N 3.16Å; D28-S192 WeakPolarHBondContact OD2-CB 3.43Å; D28-S192 PolarHBondContact OD2-N 3.2Å; D28-S193 WeakPolarHBondContact OD1-CB 3.38Å; D28-S193 PolarHBondContact OD1-N 2.92Å; D28-S193 PolarHBondContact OD1-OG 2.93Å
29S98.6Very high97.1Very high0 Ų06.8 Ų6.80%03%0.031CC..Hα-helixtrans-62.6-43.9176.5-57.90000112.4S23 S24 E26 V27 C31 C32 C33 N76S23-S29 WeakPolarHBondContact OG-CB 3.44Å; S24-S29 WeakPolarHBondContact O-CB 3.38Å; S24-S29 PolarHBondContact O-OG 3.14Å; S24-S29 PolarHBondContact OG-OG 2.83Å; E26-S29 WeakPolarHBondContact CB-OG 3.41Å; E26-S29 WeakPolarHBondContact O-CB 3.36Å; E26-S29 PolarHBondContact O-N 3.47Å; E26-S29 VanDerWaalsContact O-N 3.16Å; V27-S29 VanDerWaalsContact C-N 3.28Å; V27-S29 PolarHBondContact O-N 3.3Å; S29-C31 VanDerWaalsContact C-N 3.31Å; S29-C31 PolarHBondContact O-N 3.35Å; S29-C32 PolarHBondContact O-N 3.42Å; S29-C33 VanDerWaalsContact O-CB 3.32Å; S29-C33 WeakPolarHBondContact O-CB 3.33Å; S29-C33 PolarHBondContact O-N 2.83Å; S29-C33 PolarHBondContact O-SG 3.47Å; S29-C33 VanDerWaalsContact O-SG 3.36Å; S29-N76 VanDerWaalsContact OG-CB 3.27Å; S29-N76 WeakPolarHBondContact OG-CB 3.23Å; S29-N76 PolarHBondContact OG-ND2 2.79Å; S29-N76 VanDerWaalsContact OG-ND2 3.1Å
30L97.7Very high96.9Very high0 Ų06.9 Ų6.90%03%0.031CC..Hα-helixtrans-57.4-46.9173.8-65.6172.8000111.1E26 V27 K34 L374 L378 F390 A393 M394 L397E26-L30 PolarHBondContact O-N 3.03Å; V27-L30 WeakPolarHBondContact O-CB 3.24Å; V27-L30 PolarHBondContact O-N 3.27Å; L30-K34 WeakPolarHBondContact O-CB 3.5Å; L30-K34 PolarHBondContact O-N 3.01Å; L30-L374 HydrophobicContact CD1-CB 4.32Å; L30-L374 HydrophobicContact CD1-CD2 4.37Å; L30-L378 HydrophobicContact CD1-CD1 3.71Å; L30-L378 HydrophobicContact CD1-CD2 4.13Å; L30-L378 HydrophobicContact CD1-CG 4.01Å; L30-L378 HydrophobicContact CD2-CD2 4.47Å; L30-L378 HydrophobicContact CG-CD1 4.31Å; L30-F390 HydrophobicContact CD2-CD1 4.04Å; L30-F390 HydrophobicContact CD2-CD2 3.52Å; L30-F390 HydrophobicContact CD2-CE1 4Å; L30-F390 HydrophobicContact CD2-CE2 3.5Å; L30-F390 VanDerWaalsContact CD2-CE2 3.5Å; L30-F390 HydrophobicContact CD2-CG 3.8Å; L30-F390 HydrophobicContact CD2-CZ 3.74Å; L30-F390 WeakPolarHBondContact CD2-O 3.5Å; L30-F390 HydrophobicContact CG-CD2 4.5Å; L30-F390 HydrophobicContact CG-CE2 4.31Å; L30-A393 HydrophobicContact CD1-CB 3.41Å; L30-A393 VanDerWaalsContact CD1-CB 3.41Å; L30-A393 HydrophobicContact CD2-CB 4.22Å; L30-A393 HydrophobicContact CG-CB 4.49Å; L30-M394 HydrophobicContact CD2-CB 4.08Å; L30-L397 HydrophobicContact CB-CD1 4.18Å
31C98.3Very high96.5Very high0 Ų012.3 Ų12.30%06%0.056CC..Hα-helixtrans-64.7-44.7-179.8-64.50000111.5V27 D28 S29 K34 I35 W213V27-C31 PolarHBondContact O-N 3.31Å; V27-C31 VanDerWaalsContact O-N 3.12Å; V27-C31 PolarHBondContact O-SG 2.91Å; D28-C31 PolarHBondContact O-N 3.38Å; S29-C31 VanDerWaalsContact C-N 3.31Å; S29-C31 PolarHBondContact O-N 3.35Å; C31-K34 WeakPolarHBondContact O-CB 3.16Å; C31-K34 PolarHBondContact O-N 3.19Å; C31-I35 VanDerWaalsContact O-CG1 3.28Å; C31-I35 WeakPolarHBondContact O-CG1 3.38Å; C31-I35 PolarHBondContact O-N 3.22Å; C31-W213 HydrophobicContact CB-CB 4.38Å; C31-W213 WeakPolarHBondContact CB-O 3.44Å; C31-W213 PolarHBondContact SG-O 3.08Å
32C98.7Very high95.7Very high0 Ų017.9 Ų17.90%08%0.083CC..Hα-helixtrans-60.7-49.8176.8-177.90000111.5D28 S29 K34 I35 L36 V75 V196D28-C32 VanDerWaalsContact O-CB 3.28Å; D28-C32 WeakPolarHBondContact O-CB 3.26Å; D28-C32 PolarHBondContact O-N 3.04Å; S29-C32 PolarHBondContact O-N 3.42Å; C32-K34 PolarHBondContact O-N 2.97Å; C32-I35 PolarHBondContact O-N 3.25Å; C32-L36 WeakPolarHBondContact O-CG 3.48Å; C32-L36 PolarHBondContact O-N 3.42Å; C32-V75 HydrophobicContact CB-CG1 3.74Å; C32-V196 VanDerWaalsContact SG-CG2 3.52Å
33C98.4Very high95.1Very high1 Ų119 Ų191%0.0079%0.088CC..Hα-helixtrans-59.6-35.3175.5-75.20000112.2S23 S29 L36 Q37 L49 M394S23-C33 PolarHBondContact OG-SG 3.18Å; S29-C33 VanDerWaalsContact O-CB 3.32Å; S29-C33 WeakPolarHBondContact O-CB 3.33Å; S29-C33 PolarHBondContact O-N 2.83Å; S29-C33 PolarHBondContact O-SG 3.47Å; S29-C33 VanDerWaalsContact O-SG 3.36Å; C33-L36 PolarHBondContact O-N 3.19Å; C33-Q37 WeakPolarHBondContact O-CB 3.43Å; C33-Q37 PolarHBondContact O-N 2.93Å; C33-L49 HydrophobicContact CB-CD2 4.21Å; C33-M394 HydrophobicContact CB-CE 3.95Å
34K95.9Very high94.5Very high15 Ų1524.8 Ų24.87%0.06512%0.119CC..Hα-helixtrans-68.8-38.9177.7-16467.4-176.4171.20112.6L30 C31 C32 Q37 F38 W213 M394 L397 S398L30-K34 WeakPolarHBondContact O-CB 3.5Å; L30-K34 PolarHBondContact O-N 3.01Å; C31-K34 WeakPolarHBondContact O-CB 3.16Å; C31-K34 PolarHBondContact O-N 3.19Å; C32-K34 PolarHBondContact O-N 2.97Å; K34-Q37 PolarHBondContact O-N 3.44Å; K34-F38 PolarHBondContact O-N 3.19Å; K34-F38 VanDerWaalsContact O-N 3.11Å; K34-W213 HydrophobicContact CB-CD2 4.15Å; K34-W213 HydrophobicContact CB-CE3 4.02Å; K34-W213 HydrophobicContact CB-CG 4.5Å; K34-W213 HydrophobicContact CG-CD2 3.53Å; K34-W213 HydrophobicContact CG-CE3 3.54Å; K34-W213 HydrophobicContact CG-CG 4.19Å; K34-W213 HydrophobicContact CG-CH2 3.93Å; K34-W213 HydrophobicContact CG-CZ2 3.89Å; K34-W213 HydrophobicContact CG-CZ3 3.76Å; K34-M394 HydrophobicContact CB-CE 4.23Å; K34-M394 HydrophobicContact CD-CE 3.86Å; K34-M394 HydrophobicContact CD-CG 4.11Å; K34-L397 HydrophobicContact CB-CD1 4.04Å; K34-L397 HydrophobicContact CG-CB 4.5Å; K34-L397 HydrophobicContact CG-CD1 4.26Å; K34-S398 WeakPolarHBondContact CE-OG 3.21Å; K34-S398 PolarHBondContact NZ-OG 2.98Å
35I96.2Very high94.4Very high0 Ų025 Ų250%012%0.121CC..Hα-helixtrans-68.6-40.9174.4-61.1161.6000110.5C31 C32 Q37 F38 V39 S193 V196 V200 P210 W213 A214C31-I35 VanDerWaalsContact O-CG1 3.28Å; C31-I35 WeakPolarHBondContact O-CG1 3.38Å; C31-I35 PolarHBondContact O-N 3.22Å; C32-I35 PolarHBondContact O-N 3.25Å; I35-Q37 PolarHBondContact O-N 2.8Å; I35-F38 WeakPolarHBondContact O-CB 3.31Å; I35-F38 PolarHBondContact O-N 3.48Å; I35-V39 HydrophobicContact CG2-CG2 4.48Å; I35-V39 WeakPolarHBondContact O-CG2 3.41Å; I35-V39 PolarHBondContact O-N 3.4Å; I35-S193 VanDerWaalsContact CD1-O 3.27Å; I35-S193 WeakPolarHBondContact CD1-O 3.46Å; I35-V196 HydrophobicContact CB-CG1 4.23Å; I35-V196 HydrophobicContact CG2-CB 4.3Å; I35-V196 HydrophobicContact CG2-CG1 3.69Å; I35-V200 HydrophobicContact CG2-CG2 3.5Å; I35-V200 VanDerWaalsContact CG2-CG2 3.5Å; I35-P210 HydrophobicContact CG1-CB 4.44Å; I35-P210 HydrophobicContact CG2-CB 4.49Å; I35-W213 HydrophobicContact CD1-CB 4.36Å; I35-W213 HydrophobicContact CG1-CB 4.11Å; I35-W213 HydrophobicContact CG1-CE3 3.92Å; I35-A214 HydrophobicContact CD1-CB 3.82Å
36L97.2Very high94.4Very high0 Ų027.4 Ų27.40%014%0.138CC..Hα-helixtrans-59.9-45174.1-73.6172.6000111.7F10 I21 C32 C33 F38 V39 F40 I73 V75 I98 V196F10-L36 HydrophobicContact CE1-CD2 4.16Å; F10-L36 HydrophobicContact CZ-CD2 3.96Å; I21-L36 HydrophobicContact CD1-CD1 4.44Å; C32-L36 WeakPolarHBondContact O-CG 3.48Å; C32-L36 PolarHBondContact O-N 3.42Å; C33-L36 PolarHBondContact O-N 3.19Å; L36-F38 VanDerWaalsContact C-N 3.32Å; L36-F38 PolarHBondContact O-N 2.75Å; L36-V39 PolarHBondContact O-N 2.65Å; L36-F40 HydrophobicContact CB-CE2 4.27Å; L36-F40 HydrophobicContact CD2-CE2 4.44Å; L36-F40 HydrophobicContact CD2-CZ 4.07Å; L36-F40 WeakPolarHBondContact O-CB 3.45Å; L36-F40 VanDerWaalsContact O-CG 3.24Å; L36-F40 WeakPolarHBondContact O-CG 3.22Å; L36-F40 PolarHBondContact O-N 3.29Å; L36-I73 HydrophobicContact CD1-CG2 4.22Å; L36-V75 HydrophobicContact CD1-CG2 4.01Å; L36-I98 HydrophobicContact CD1-CD1 4.34Å; L36-I98 HydrophobicContact CD2-CD1 4.43Å; L36-V196 HydrophobicContact CD2-CG1 3.71Å; L36-V196 HydrophobicContact CD2-CG2 4.34Å; L36-V196 HydrophobicContact CG-CG1 4.03Å
37Q94.9Very high94.4Very high36 Ų3629.9 Ų29.917%0.16815%0.147CC..Hα-helixtrans-53.8-50.7174.1174179.415.700110.7C33 K34 I35 V39 F40 E41 Y47 M394C33-Q37 WeakPolarHBondContact O-CB 3.43Å; C33-Q37 PolarHBondContact O-N 2.93Å; K34-Q37 PolarHBondContact O-N 3.44Å; I35-Q37 PolarHBondContact O-N 2.8Å; Q37-V39 VanDerWaalsContact C-N 3.34Å; Q37-V39 PolarHBondContact O-N 3.04Å; Q37-F40 PolarHBondContact O-N 2.81Å; Q37-E41 HydrophobicContact CG-CG 4.42Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.39Å; Q37-E41 PolarHBondContact NE2-OE1 3.44Å; Q37-E41 VanDerWaalsContact O-CG 3.31Å; Q37-E41 WeakPolarHBondContact O-CG 3.39Å; Q37-E41 PolarHBondContact O-N 3.01Å; Q37-Y47 HydrophobicContact CB-CE1 4.41Å; Q37-Y47 VanDerWaalsContact CD-OH 3.32Å; Q37-Y47 HydrophobicContact CG-CE1 4.23Å; Q37-Y47 VanDerWaalsContact CG-OH 3.32Å; Q37-Y47 WeakPolarHBondContact CG-OH 3.45Å; Q37-M394 HydrophobicContact CB-CE 4.47Å
38F92.9Very high94.5Very high33 Ų3331 Ų3115%0.14516%0.155CC..Hα-helixtrans-58.3-44.3178.5172.6-93.5000112.5K34 I35 L36 V200 C205 V207 P210 W213K34-F38 PolarHBondContact O-N 3.19Å; K34-F38 VanDerWaalsContact O-N 3.11Å; I35-F38 WeakPolarHBondContact O-CB 3.31Å; I35-F38 PolarHBondContact O-N 3.48Å; L36-F38 VanDerWaalsContact C-N 3.32Å; L36-F38 PolarHBondContact O-N 2.75Å; F38-V200 HydrophobicContact CD1-CG2 4.37Å; F38-V200 HydrophobicContact CE1-CG1 4.04Å; F38-C205 HydrophobicContact CE1-CB 3.93Å; F38-C205 HydrophobicContact CZ-CB 4.2Å; F38-V207 HydrophobicContact CE1-CG2 4.45Å; F38-V207 HydrophobicContact CE2-CG2 3.62Å; F38-V207 HydrophobicContact CZ-CG2 3.49Å; F38-V207 VanDerWaalsContact CZ-CG2 3.49Å; F38-P210 HydrophobicContact CD1-CB 4.41Å; F38-P210 HydrophobicContact CD1-CG 3.49Å; F38-P210 VanDerWaalsContact CD1-CG 3.49Å; F38-P210 HydrophobicContact CD2-CG 4.09Å; F38-P210 HydrophobicContact CE1-CG 3.55Å; F38-P210 HydrophobicContact CE2-CG 4.14Å; F38-P210 HydrophobicContact CG-CG 3.79Å; F38-P210 HydrophobicContact CZ-CG 3.88Å; F38-W213 HydrophobicContact CB-CH2 4.47Å; F38-W213 HydrophobicContact CB-CZ3 3.86Å; F38-W213 HydrophobicContact CG-CZ3 4.35Å
39V93.2Very high94.5Very high3 Ų332.2 Ų32.22%0.01816%0.162CC..Hα-helixtrans-67.3-36.6178.8168.80000112.1Y11 I35 L36 Q37 L199 V200 L203Y11-V39 HydrophobicContact CD2-CG1 3.63Å; Y11-V39 HydrophobicContact CE2-CG1 3.24Å; Y11-V39 PolarHBondContact OH-O 3.11Å; I35-V39 HydrophobicContact CG2-CG2 4.48Å; I35-V39 WeakPolarHBondContact O-CG2 3.41Å; I35-V39 PolarHBondContact O-N 3.4Å; L36-V39 PolarHBondContact O-N 2.65Å; Q37-V39 VanDerWaalsContact C-N 3.34Å; Q37-V39 PolarHBondContact O-N 3.04Å; V39-L199 HydrophobicContact CG1-CD2 4.08Å; V39-V200 HydrophobicContact CG2-CG2 3.57Å; V39-L203 HydrophobicContact CG1-CD1 3.93Å
40F94.5Very high94.5Very high1 Ų133.7 Ų33.70%0.00417%0.171CC..Hα-helixtrans-77.4-29.6-178-71.1-14.4000113.8F10 Y11 V14 V19 I21 L36 Q37 E42 D43 D44 T45 Y47 I73F10-F40 HydrophobicContact CZ-CZ 4.42Å; Y11-F40 HydrophobicContact CD2-CE1 4.49Å; Y11-F40 HydrophobicContact CE2-CD1 4.35Å; V14-F40 HydrophobicContact CG2-CE1 3.84Å; V14-F40 HydrophobicContact CG2-CZ 4.13Å; V19-F40 HydrophobicContact CG2-CD2 4.28Å; V19-F40 HydrophobicContact CG2-CE2 3.71Å; V19-F40 HydrophobicContact CG2-CZ 4.3Å; I21-F40 HydrophobicContact CD1-CD2 4.43Å; I21-F40 HydrophobicContact CD1-CE2 3.99Å; L36-F40 HydrophobicContact CB-CE2 4.27Å; L36-F40 HydrophobicContact CD2-CE2 4.44Å; L36-F40 HydrophobicContact CD2-CZ 4.07Å; L36-F40 WeakPolarHBondContact O-CB 3.45Å; L36-F40 VanDerWaalsContact O-CG 3.24Å; L36-F40 WeakPolarHBondContact O-CG 3.22Å; L36-F40 PolarHBondContact O-N 3.29Å; Q37-F40 PolarHBondContact O-N 2.81Å; F40-E42 VanDerWaalsContact C-N 3.29Å; F40-E42 PolarHBondContact O-N 3Å; F40-D43 PolarHBondContact O-N 3.38Å; F40-D44 PolarHBondContact O-N 3.49Å; F40-T45 HydrophobicContact CB-CG2 4.25Å; F40-T45 HydrophobicContact CD1-CG2 3.83Å; F40-T45 HydrophobicContact CD2-CG2 4.25Å; F40-T45 HydrophobicContact CE1-CG2 4.23Å; F40-T45 HydrophobicContact CG-CG2 3.85Å; F40-T45 PolarHBondContact O-N 3.22Å; F40-Y47 HydrophobicContact CD2-CD1 4.2Å; F40-I73 HydrophobicContact CE2-CD1 3.9Å; F40-I73 HydrophobicContact CZ-CD1 3.59Å
41E90Very high94.5Very high114 Ų11434.4 Ų34.453%0.53318%0.175SC..Hα-helixtrans-62-34.2174.6-77.8173-174.200112.3Q37 D43Q37-E41 HydrophobicContact CG-CG 4.42Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.39Å; Q37-E41 PolarHBondContact NE2-OE1 3.44Å; Q37-E41 VanDerWaalsContact O-CG 3.31Å; Q37-E41 WeakPolarHBondContact O-CG 3.39Å; Q37-E41 PolarHBondContact O-N 3.01Å; E41-D43 PolarHBondContact O-N 2.91Å
42E82.6Confident94.5Very high120 Ų12034.5 Ų34.556%0.56118%0.176SC*.THydrogen-bonded Turntrans-65.4-21.7-179.7-70-67.9132.100114.1F40F40-E42 VanDerWaalsContact C-N 3.29Å; F40-E42 PolarHBondContact O-N 3Å
43D85.5Confident94.2Very high23 Ų2336.1 Ų36.112%0.12319%0.193CC..THydrogen-bonded Turntrans-131.622.6-172.1-93.7-55000114.2Y11 K15 R16 F40 E41 T45Y11-D43 WeakPolarHBondContact OH-CB 3.39Å; Y11-D43 PolarHBondContact OH-OD2 2.89Å; K15-D43 HydrophobicContact CD-CB 4.14Å; K15-D43 WeakPolarHBondContact CD-OD2 3.47Å; K15-D43 WeakPolarHBondContact CE-OD1 3.45Å; K15-D43 WeakPolarHBondContact CE-OD2 3.3Å; K15-D43 HydrophobicContact CG-CB 4.03Å; K15-D43 IonicContact NZ-OD1 3.52Å; K15-D43 PolarHBondContact NZ-OD1 3.48Å; K15-D43 IonicContact NZ-OD2 2.69Å; K15-D43 PolarHBondContact NZ-OD2 3.28Å; R16-D43 WeakPolarHBondContact CG-O 3.46Å; R16-D43 IonicContact CZ-OD1 2.66Å; R16-D43 IonicContact NH2-OD1 3.92Å; R16-D43 PolarHBondContact NH2-OD1 2.91Å; R16-D43 VanDerWaalsContact NH2-OD1 3.09Å; F40-D43 PolarHBondContact O-N 3.38Å; E41-D43 PolarHBondContact O-N 2.91Å; D43-T45 PolarHBondContact O-N 2.97Å
44D86.2Confident94Very high121 Ų12137.5 Ų37.565%0.64720%0.2SC*.THydrogen-bonded Turntrans54.233179.5-50.4-60.7000113.2R16 F40 T46R16-D44 IonicContact NH1-OD2 3.58Å; R16-D44 PolarHBondContact NH1-OD2 2.96Å; F40-D44 PolarHBondContact O-N 3.49Å; D44-T46 PolarHBondContact O-N 2.67Å
45T94.4Very high94Very high8 Ų837.8 Ų37.85%0.04920%0.203CC..  trans-81.1114.7176.9-57.20000108.1V14 K15 R16 K17 V19 F40 D43V14-T45 WeakPolarHBondContact O-CG2 3.38Å; K15-T45 WeakPolarHBondContact CA-OG1 3.27Å; R16-T45 PolarHBondContact N-OG1 3.39Å; K17-T45 WeakPolarHBondContact O-CG2 3.36Å; V19-T45 HydrophobicContact CG1-CG2 4.49Å; F40-T45 HydrophobicContact CB-CG2 4.25Å; F40-T45 HydrophobicContact CD1-CG2 3.83Å; F40-T45 HydrophobicContact CD2-CG2 4.25Å; F40-T45 HydrophobicContact CE1-CG2 4.23Å; F40-T45 HydrophobicContact CG-CG2 3.85Å; F40-T45 PolarHBondContact O-N 3.22Å; D43-T45 PolarHBondContact O-N 2.97Å
46T96.4Very high94Very high80 Ų8043.1 Ų43.149%0.49123%0.228SC..EExtended strand (participates in β ladder)trans-84.5147.4-179.454.70000110K17 H18 V19 D44K17-T46 PolarHBondContact O-N 3.17Å; H18-T46 VanDerWaalsContact CA-O 3.31Å; H18-T46 WeakPolarHBondContact CA-O 3.48Å; H18-T46 WeakPolarHBondContact CA-OG1 3.35Å; H18-T46 WeakPolarHBondContact CB-OG1 3.43Å; H18-T46 PolarHBondContact CD2-OG1 2.96Å; H18-T46 VanDerWaalsContact CD2-OG1 3.32Å; V19-T46 PolarHBondContact N-O 3.48Å; D44-T46 PolarHBondContact O-N 2.67Å
47Y97Very high94Very high73 Ų7344.8 Ų44.829%0.28624%0.241SC..EExtended strand (participates in β ladder)trans-142.1151.417968-88.2000112.7V19 I21 Q37 F40 L49V19-Y47 CarbonylContact O-C 3.57Å; V19-Y47 WeakPolarHBondContact O-CA 3.45Å; I21-Y47 HydrophobicContact CD1-CD2 3.82Å; I21-Y47 HydrophobicContact CD1-CG 3.98Å; Q37-Y47 HydrophobicContact CB-CE1 4.41Å; Q37-Y47 VanDerWaalsContact CD-OH 3.32Å; Q37-Y47 HydrophobicContact CG-CE1 4.23Å; Q37-Y47 VanDerWaalsContact CG-OH 3.32Å; Q37-Y47 WeakPolarHBondContact CG-OH 3.45Å; F40-Y47 HydrophobicContact CD2-CD1 4.2Å; Y47-L49 HydrophobicContact CD2-CB 3.93Å; Y47-L49 HydrophobicContact CE2-CB 3.9Å; Y47-L49 HydrophobicContact CE2-CD2 4.47Å
48S97.7Very high94.1Very high24 Ų2443 Ų4317%0.16823%0.233CC..EExtended strand (participates in β ladder)trans-109.3121.2164-630000107.9H18 V19 L20 I21H18-S48 PolarHBondContact CE1-OG 3.38Å; H18-S48 VanDerWaalsContact CE1-OG 3.23Å; H18-S48 PolarHBondContact NE2-OG 3.46Å; V19-S48 PolarHBondContact O-N 2.84Å; L20-S48 CarbonylContact C-O 3.52Å; L20-S48 WeakPolarHBondContact CA-O 3.5Å; I21-S48 PolarHBondContact N-O 2.92Å
49L98.1Very high94.4Very high25 Ų2544.1 Ų44.113%0.13124%0.24CC..EExtended strand (participates in β ladder)trans-107.2121.5-179.5173.956.4000109.7I21 C33 Y47 F390 F391 M394I21-L49 HydrophobicContact CB-CD1 3.79Å; I21-L49 HydrophobicContact CG2-CD1 3.65Å; I21-L49 WeakPolarHBondContact O-CA 3.4Å; C33-L49 HydrophobicContact CB-CD2 4.21Å; Y47-L49 HydrophobicContact CD2-CB 3.93Å; Y47-L49 HydrophobicContact CE2-CB 3.9Å; Y47-L49 HydrophobicContact CE2-CD2 4.47Å; L49-F390 HydrophobicContact CD1-CE1 4.47Å; L49-F390 HydrophobicContact CD2-CE1 3.99Å; L49-F390 HydrophobicContact CG-CE1 4.26Å; L49-F391 HydrophobicContact CD2-CE1 4.09Å; L49-F391 HydrophobicContact CG-CE1 4.2Å; L49-M394 HydrophobicContact CD2-CE 4.05Å; L49-M394 HydrophobicContact CD2-SD 3.76Å
50V98.4Very high94.6Very high31 Ų3151.4 Ų51.419%0.18827%0.272CS..EExtended strand (participates in β ladder)trans-127.3113.5180-173.40000109.1L20 I21 L22 S23 V52 A61 Y65L20-V50 HydrophobicContact CD1-CG2 4.06Å; I21-V50 PolarHBondContact O-N 3.37Å; L22-V50 WeakPolarHBondContact CA-O 3.35Å; L22-V50 HydrophobicContact CD2-CB 3.81Å; L22-V50 HydrophobicContact CD2-CG2 4.41Å; S23-V50 PolarHBondContact N-O 2.82Å; S23-V50 VanDerWaalsContact N-O 3.13Å; V50-V52 HydrophobicContact CG1-CG1 4.39Å; V50-A61 HydrophobicContact CB-CB 4.49Å; V50-A61 HydrophobicContact CG1-CB 3.89Å; V50-Y65 HydrophobicContact CG2-CE2 3.97Å
51P98.3Very high94.8Very high14 Ų1451.7 Ų51.79%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-73.2139.9173.131.2-33.7000110.5S23 Y25 A387 F390S23-P51 CarbonylContact O-C 3.59Å; S23-P51 VanDerWaalsContact O-CA 3.24Å; S23-P51 WeakPolarHBondContact O-CA 3.39Å; Y25-P51 HydrophobicContact CD1-CB 4.46Å; Y25-P51 HydrophobicContact CE1-CB 3.78Å; Y25-P51 HydrophobicContact CE1-CG 4.25Å; Y25-P51 HydrophobicContact CE2-CB 4.18Å; P51-A387 HydrophobicContact CG-CB 3.97Å; P51-F390 HydrophobicContact CB-CB 4.06Å; P51-F390 HydrophobicContact CB-CD1 3.98Å; P51-F390 HydrophobicContact CB-CD2 3.63Å; P51-F390 HydrophobicContact CB-CE1 4.33Å; P51-F390 HydrophobicContact CB-CE2 3.99Å; P51-F390 HydrophobicContact CB-CG 3.62Å; P51-F390 HydrophobicContact CB-CZ 4.34Å; P51-F390 HydrophobicContact CG-CB 4.05Å; P51-F390 HydrophobicContact CG-CD1 4.07Å; P51-F390 HydrophobicContact CG-CD2 4.46Å; P51-F390 HydrophobicContact CG-CG 3.96Å
52V97.8Very high95.2Very high2 Ų246.4 Ų46.41%0.01225%0.249CC..  trans-135132.1-174.7-65.20000109.7L22 S23 S24 V50 A57 L58 A61 F486L22-V52 HydrophobicContact CB-CG2 4.28Å; L22-V52 HydrophobicContact CD2-CG1 4.47Å; S23-V52 PolarHBondContact O-N 3.07Å; S24-V52 WeakPolarHBondContact CA-O 3.38Å; V50-V52 HydrophobicContact CG1-CG1 4.39Å; V52-A57 HydrophobicContact CB-CB 4.24Å; V52-A57 HydrophobicContact CG1-CB 4.5Å; V52-L58 HydrophobicContact CG2-CB 4.4Å; V52-L58 HydrophobicContact CG2-CD1 4Å; V52-A61 HydrophobicContact CG1-CB 3.81Å; V52-F486 HydrophobicContact CG2-CE2 4.25Å; V52-F486 HydrophobicContact CG2-CZ 3.95Å; V52-F486 WeakPolarHBondContact O-CE2 3.43Å
53G92.5Very high95.9Very high35 Ų3544.7 Ų44.736%0.36124%0.242SC..SBendtrans-95.2-24.6-17500000114.9
54D94.6Very high96.4Very high30 Ų3049.1 Ų49.116%0.1626%0.262CS..SBendtrans-153.3176.7-175.157.328.5000110.9E56 A57 L58 K484 F486D54-E56 VanDerWaalsContact C-N 3.3Å; D54-E56 PolarHBondContact O-N 2.96Å; D54-E56 PolarHBondContact OD1-N 2.86Å; D54-A57 PolarHBondContact O-N 2.76Å; D54-A57 VanDerWaalsContact OD1-CB 3.25Å; D54-A57 WeakPolarHBondContact OD1-CB 3.26Å; D54-A57 PolarHBondContact OD1-N 2.71Å; D54-L58 WeakPolarHBondContact O-CB 3.18Å; D54-L58 PolarHBondContact O-N 3.35Å; D54-K484 CarbonylContact C-O 3.53Å; D54-K484 WeakPolarHBondContact CA-O 3.35Å; D54-K484 HydrophobicContact CB-CB 4.22Å; D54-K484 HydrophobicContact CB-CG 4.25Å; D54-K484 WeakPolarHBondContact CB-O 3.32Å; D54-F486 WeakPolarHBondContact O-CZ 3.34Å
55T95.9Very high96.9Very high20 Ų2045.6 Ų45.612%0.12324%0.24CC..Hα-helixtrans-65.1-31.9-178.954.10000112.8L58 L59 I81 L86 K484 F486T55-L58 PolarHBondContact O-N 3Å; T55-L59 WeakPolarHBondContact O-CB 3.33Å; T55-L59 PolarHBondContact O-N 3.47Å; T55-I81 HydrophobicContact CG2-CD1 3.49Å; T55-I81 VanDerWaalsContact CG2-CD1 3.49Å; T55-I81 HydrophobicContact CG2-CG1 4.26Å; T55-L86 HydrophobicContact CG2-CD2 4.27Å; T55-K484 WeakPolarHBondContact CG2-O 3.35Å; T55-K484 PolarHBondContact N-O 3.45Å; T55-K484 WeakPolarHBondContact OG1-CA 3.17Å; T55-K484 PolarHBondContact OG1-O 3.17Å; T55-F486 HydrophobicContact CG2-CD1 4.44Å; T55-F486 HydrophobicContact CG2-CE1 4.27Å
56E95.7Very high96.9Very high113 Ų11347 Ų4753%0.52825%0.248SC..Hα-helixtrans-67.1-46.5175.5-66.2-177.2-174.100110.8D54 L58 L59 K60D54-E56 VanDerWaalsContact C-N 3.3Å; D54-E56 PolarHBondContact O-N 2.96Å; D54-E56 PolarHBondContact OD1-N 2.86Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L59 PolarHBondContact O-N 3.45Å; E56-K60 WeakPolarHBondContact O-CB 3.42Å; E56-K60 PolarHBondContact O-N 3.27Å
57A96.8Very high96.7Very high34 Ų3450.4 Ų50.428%0.28126%0.263SS..Hα-helixtrans-63.8-39.4174.600000111.8V52 D54 K60 A61V52-A57 HydrophobicContact CB-CB 4.24Å; V52-A57 HydrophobicContact CG1-CB 4.5Å; D54-A57 PolarHBondContact O-N 2.76Å; D54-A57 VanDerWaalsContact OD1-CB 3.25Å; D54-A57 WeakPolarHBondContact OD1-CB 3.26Å; D54-A57 PolarHBondContact OD1-N 2.71Å; A57-K60 PolarHBondContact O-N 3.48Å; A57-A61 VanDerWaalsContact O-CB 3.26Å; A57-A61 WeakPolarHBondContact O-CB 3.35Å; A57-A61 PolarHBondContact O-N 2.99Å
58L98.1Very high96.5Very high0 Ų053.4 Ų53.40%028%0.277CS..Hα-helixtrans-59.3-51.5174.8179.770.2000111.5L22 V52 D54 T55 E56 K60 A61 Y62 L74 L86 F486L22-L58 HydrophobicContact CB-CD1 3.83Å; L22-L58 HydrophobicContact CD1-CD1 3.49Å; L22-L58 VanDerWaalsContact CD1-CD1 3.49Å; L22-L58 HydrophobicContact CG-CD1 4.26Å; V52-L58 HydrophobicContact CG2-CB 4.4Å; V52-L58 HydrophobicContact CG2-CD1 4Å; D54-L58 WeakPolarHBondContact O-CB 3.18Å; D54-L58 PolarHBondContact O-N 3.35Å; T55-L58 PolarHBondContact O-N 3Å; E56-L58 VanDerWaalsContact C-N 3.34Å; L58-K60 PolarHBondContact O-N 3.49Å; L58-A61 PolarHBondContact O-N 3.18Å; L58-Y62 WeakPolarHBondContact O-CB 3.44Å; L58-Y62 PolarHBondContact O-N 2.92Å; L58-L74 HydrophobicContact CD1-CD2 3.73Å; L58-L86 HydrophobicContact CD2-CD2 4.03Å; L58-F486 HydrophobicContact CB-CE1 4.34Å; L58-F486 HydrophobicContact CB-CZ 4.25Å; L58-F486 HydrophobicContact CD2-CE1 4.06Å
59L98.2Very high96.4Very high56 Ų5652.6 Ų52.629%0.29327%0.271SS..Hα-helixtrans-59.5-47.9178.1175.460.3000111.2T55 E56 A61 Y62 M63 L86 L87T55-L59 WeakPolarHBondContact O-CB 3.33Å; T55-L59 PolarHBondContact O-N 3.47Å; E56-L59 PolarHBondContact O-N 3.45Å; L59-A61 PolarHBondContact O-N 3.37Å; L59-Y62 PolarHBondContact O-N 3.25Å; L59-M63 HydrophobicContact CD1-CE 3.58Å; L59-M63 HydrophobicContact CD1-CG 4Å; L59-M63 HydrophobicContact CG-CG 4.48Å; L59-M63 VanDerWaalsContact O-CG 3.26Å; L59-M63 WeakPolarHBondContact O-CG 3.46Å; L59-M63 PolarHBondContact O-N 3.43Å; L59-L86 WeakPolarHBondContact CD1-O 3.5Å; L59-L87 HydrophobicContact CB-CD2 4.34Å; L59-L87 HydrophobicContact CD1-CD2 3.91Å
60K98.1Very high96.3Very high156 Ų15654.2 Ų54.268%0.67828%0.284SS*.Hα-helixtrans-58.9-47.7178.4-177.3-175.2174.6-171.70111.6E56 A57 L58 M63 E64E56-K60 WeakPolarHBondContact O-CB 3.42Å; E56-K60 PolarHBondContact O-N 3.27Å; A57-K60 PolarHBondContact O-N 3.48Å; L58-K60 PolarHBondContact O-N 3.49Å; K60-M63 PolarHBondContact O-N 3.09Å; K60-E64 PolarHBondContact O-N 3.08Å
61A97.9Very high96.3Very high7 Ų755 Ų556%0.05828%0.284CS..Hα-helixtrans-63.1-41.8179.200000111.4L22 V50 V52 A57 L58 L59 E64 Y65L22-A61 HydrophobicContact CD2-CB 3.77Å; V50-A61 HydrophobicContact CB-CB 4.49Å; V50-A61 HydrophobicContact CG1-CB 3.89Å; V52-A61 HydrophobicContact CG1-CB 3.81Å; A57-A61 VanDerWaalsContact O-CB 3.26Å; A57-A61 WeakPolarHBondContact O-CB 3.35Å; A57-A61 PolarHBondContact O-N 2.99Å; L58-A61 PolarHBondContact O-N 3.18Å; L59-A61 PolarHBondContact O-N 3.37Å; A61-E64 PolarHBondContact O-N 3.38Å; A61-Y65 WeakPolarHBondContact O-CD2 3.35Å
62Y98.3Very high96.3Very high2 Ų254.4 Ų54.41%0.00828%0.28CS..Hα-helixtrans-60.7-48.7175.1173.9-109.8000111.9L58 L59 E64 Y65 N66 V72 L87 P89 T93 F95L58-Y62 WeakPolarHBondContact O-CB 3.44Å; L58-Y62 PolarHBondContact O-N 2.92Å; L59-Y62 PolarHBondContact O-N 3.25Å; Y62-E64 PolarHBondContact O-N 2.9Å; Y62-Y65 CarbonylContact O-C 3.5Å; Y62-Y65 PolarHBondContact O-N 3Å; Y62-N66 HydrophobicContact CD1-CB 4.29Å; Y62-N66 HydrophobicContact CD2-CB 4.29Å; Y62-N66 HydrophobicContact CE1-CB 3.8Å; Y62-N66 HydrophobicContact CE2-CB 3.77Å; Y62-N66 VanDerWaalsContact CZ-CB 3.5Å; Y62-N66 WeakPolarHBondContact O-CB 3.25Å; Y62-N66 PolarHBondContact O-N 3.15Å; Y62-V72 HydrophobicContact CD2-CG2 4.22Å; Y62-V72 HydrophobicContact CE2-CG2 4.09Å; Y62-L87 HydrophobicContact CD1-CB 3.85Å; Y62-L87 HydrophobicContact CD1-CD1 4.46Å; Y62-L87 HydrophobicContact CD1-CD2 3.97Å; Y62-L87 HydrophobicContact CD1-CG 4.32Å; Y62-L87 HydrophobicContact CE1-CB 3.94Å; Y62-L87 WeakPolarHBondContact CE1-O 3.26Å; Y62-L87 HydrophobicContact CG-CB 4.5Å; Y62-L87 HydrophobicContact CG-CD1 4.29Å; Y62-L87 HydrophobicContact CG-CD2 4.11Å; Y62-P89 WeakPolarHBondContact OH-CA 3.5Å; Y62-P89 VanDerWaalsContact OH-CB 3.26Å; Y62-P89 WeakPolarHBondContact OH-CB 3.45Å; Y62-T93 HydrophobicContact CE2-CG2 4.14Å; Y62-T93 PolarHBondContact OH-OG1 3.39Å; Y62-F95 HydrophobicContact CD2-CE1 4.13Å; Y62-F95 HydrophobicContact CD2-CZ 4.21Å; Y62-F95 AromaticContact CE2-CE1 3.99Å; Y62-F95 HydrophobicContact CE2-CE1 3.99Å; Y62-F95 AromaticContact CE2-CZ 3.66Å; Y62-F95 HydrophobicContact CE2-CZ 3.66Å; Y62-F95 AromaticContact CZ-CZ 3.93Å
63M97.8Very high96.3Very high84 Ų8454.3 Ų54.341%0.41428%0.279SS..Hα-helixtrans-62.8-25.6-177.4-69.3-66177.600113.7L59 K60 Y65 N66 L87L59-M63 HydrophobicContact CD1-CE 3.58Å; L59-M63 HydrophobicContact CD1-CG 4Å; L59-M63 HydrophobicContact CG-CG 4.48Å; L59-M63 VanDerWaalsContact O-CG 3.26Å; L59-M63 WeakPolarHBondContact O-CG 3.46Å; L59-M63 PolarHBondContact O-N 3.43Å; K60-M63 PolarHBondContact O-N 3.09Å; M63-Y65 VanDerWaalsContact C-N 3.31Å; M63-N66 PolarHBondContact O-OD1 2.97Å; M63-N66 PolarHBondContact SD-ND2 3.19Å; M63-L87 WeakPolarHBondContact CE-O 3.38Å
64E97Very high96.6Very high116 Ų11652.6 Ų52.654%0.54226%0.262SS..Hα-helixtrans-73.3-23.5175.5-175.3176.416800113.3K60 A61 Y62 K68K60-E64 PolarHBondContact O-N 3.08Å; A61-E64 PolarHBondContact O-N 3.38Å; Y62-E64 PolarHBondContact O-N 2.9Å; E64-K68 PolarHBondContact O-NZ 3.2Å
65Y96.3Very high96.8Very high48 Ų4851.2 Ų51.219%0.18825%0.254CS..Hα-helixtrans-117.1-16.6-173-75-96.3000114.3L20 V50 A61 Y62 M63 N67 K68 V69L20-Y65 HydrophobicContact CD1-CD1 3.95Å; L20-Y65 HydrophobicContact CD1-CD2 3.98Å; L20-Y65 HydrophobicContact CD1-CE1 4.31Å; L20-Y65 HydrophobicContact CD1-CE2 4.36Å; L20-Y65 HydrophobicContact CD1-CG 3.76Å; L20-Y65 HydrophobicContact CD2-CG 4.18Å; V50-Y65 HydrophobicContact CG2-CE2 3.97Å; A61-Y65 WeakPolarHBondContact O-CD2 3.35Å; Y62-Y65 CarbonylContact O-C 3.5Å; Y62-Y65 PolarHBondContact O-N 3Å; M63-Y65 VanDerWaalsContact C-N 3.31Å; Y65-N67 PolarHBondContact O-N 3.46Å; Y65-K68 WeakPolarHBondContact O-CA 3.45Å; Y65-K68 WeakPolarHBondContact O-CB 3.48Å; Y65-K68 PolarHBondContact O-N 2.95Å; Y65-V69 WeakPolarHBondContact O-CG2 3.42Å; Y65-V69 PolarHBondContact O-N 3.1Å
66N94Very high97Very high37 Ų3750.2 Ų50.220%0.19825%0.249CC..THydrogen-bonded Turntrans-54.6-31.2-172.666.7-6.1000114.5Y62 M63 K68Y62-N66 HydrophobicContact CD1-CB 4.29Å; Y62-N66 HydrophobicContact CD2-CB 4.29Å; Y62-N66 HydrophobicContact CE1-CB 3.8Å; Y62-N66 HydrophobicContact CE2-CB 3.77Å; Y62-N66 VanDerWaalsContact CZ-CB 3.5Å; Y62-N66 WeakPolarHBondContact O-CB 3.25Å; Y62-N66 PolarHBondContact O-N 3.15Å; M63-N66 PolarHBondContact O-OD1 2.97Å; M63-N66 PolarHBondContact SD-ND2 3.19Å; N66-K68 VanDerWaalsContact C-N 3.31Å
67N92.8Very high97Very high152 Ų15244.9 Ų44.981%0.81322%0.223SC*.THydrogen-bonded Turntrans-81.6-8.1176.8-64.7-47.8000113.7Y65Y65-N67 PolarHBondContact O-N 3.46Å
68K93Very high96.9Very high136 Ų13643.3 Ų43.359%0.59121%0.211SC*.THydrogen-bonded Turntrans-112-19.1-173.3-57.8172.1-173.3148.70113.1E64 Y65 N66E64-K68 PolarHBondContact O-NZ 3.2Å; Y65-K68 WeakPolarHBondContact O-CA 3.45Å; Y65-K68 WeakPolarHBondContact O-CB 3.48Å; Y65-K68 PolarHBondContact O-N 2.95Å; N66-K68 VanDerWaalsContact C-N 3.31Å
69V94.2Very high96.8Very high6 Ų643.3 Ų43.34%0.03621%0.211CC..  trans-137.4141.8-174.6-57.50000110.9H18 L20 Y65 V72H18-V69 VanDerWaalsContact ND1-CG1 3.3Å; H18-V69 WeakPolarHBondContact ND1-CG1 3.31Å; L20-V69 HydrophobicContact CB-CB 4.48Å; L20-V69 HydrophobicContact CB-CG1 4.42Å; L20-V69 HydrophobicContact CB-CG2 3.77Å; L20-V69 HydrophobicContact CD2-CG2 4.32Å; Y65-V69 WeakPolarHBondContact O-CG2 3.42Å; Y65-V69 PolarHBondContact O-N 3.1Å; V69-V72 HydrophobicContact CG2-CG2 4.27Å
70C96.2Very high96.6Very high59 Ų5942.6 Ų42.640%0.39921%0.213SC..SBendtrans-100.7-15.6173.5-48.50000112.2T93 I94C70-T93 CarbonylContact O-C 3.58Å; C70-T93 WeakPolarHBondContact O-CA 3.41Å; C70-I94 PolarHBondContact O-N 3.37Å
71Y98.2Very high96.3Very high49 Ų4936.6 Ų36.619%0.19219%0.188CC..EExtended strand (participates in β ladder)trans-117.4122-175.9-59.9-75.3000109.8V13 V14 K17 L20 I94 F96V13-Y71 HydrophobicContact CG1-CD1 4.35Å; V13-Y71 HydrophobicContact CG1-CE1 3.63Å; V14-Y71 HydrophobicContact CG1-CD1 4.44Å; K17-Y71 HydrophobicContact CB-CD2 3.93Å; K17-Y71 HydrophobicContact CB-CE2 4.1Å; K17-Y71 HydrophobicContact CD-CE2 4.18Å; K17-Y71 HydrophobicContact CG-CD2 4.1Å; K17-Y71 HydrophobicContact CG-CE2 3.76Å; L20-Y71 PolarHBondContact N-O 2.83Å; Y71-I94 WeakPolarHBondContact CA-O 3.45Å; Y71-I94 HydrophobicContact CD1-CB 4.11Å; Y71-I94 HydrophobicContact CE1-CB 4.35Å; Y71-I94 HydrophobicContact CE1-CD1 3.91Å; Y71-F96 HydrophobicContact CD1-CE2 4.09Å
72V98.7Very high96.2Very high0 Ų037.9 Ų37.90%019%0.194CC..EExtended strand (participates in β ladder)trans-121.5131179.5-175.10000108.7L20 L22 Y62 V69 L74 T93 I94 F95 F96L20-V72 HydrophobicContact CB-CG2 4.45Å; L20-V72 HydrophobicContact CD2-CG1 4.2Å; L20-V72 HydrophobicContact CD2-CG2 4.28Å; L20-V72 HydrophobicContact CG-CG1 4.47Å; L20-V72 CarbonylContact O-C 3.49Å; L20-V72 VanDerWaalsContact O-CA 3.31Å; L20-V72 WeakPolarHBondContact O-CA 3.31Å; L22-V72 HydrophobicContact CD1-CG1 4.05Å; L22-V72 HydrophobicContact CG-CG1 4.3Å; Y62-V72 HydrophobicContact CD2-CG2 4.22Å; Y62-V72 HydrophobicContact CE2-CG2 4.09Å; V69-V72 HydrophobicContact CG2-CG2 4.27Å; V72-L74 HydrophobicContact CG1-CD2 3.99Å; V72-L74 HydrophobicContact CG1-CG 4.49Å; V72-T93 HydrophobicContact CG2-CG2 4.08Å; V72-I94 PolarHBondContact N-O 3.3Å; V72-F95 HydrophobicContact CB-CD1 3.62Å; V72-F95 HydrophobicContact CB-CE1 3.79Å; V72-F95 HydrophobicContact CB-CG 4.43Å; V72-F95 HydrophobicContact CG1-CD1 3.83Å; V72-F95 HydrophobicContact CG1-CE1 3.9Å; V72-F95 HydrophobicContact CG2-CD1 4.28Å; V72-F95 HydrophobicContact CG2-CE1 3.97Å; V72-F95 CarbonylContact O-C 3.6Å; V72-F95 VanDerWaalsContact O-CA 3.3Å; V72-F95 WeakPolarHBondContact O-CA 3.46Å; V72-F96 PolarHBondContact O-N 2.93Å
73I98.8Very high96.2Very high0 Ų037.8 Ų37.80%019%0.193CC..EExtended strand (participates in β ladder)trans-111.6121.5176.1-56.2174.8000107.1F10 V19 L20 I21 L22 L36 F40 V75 F96 I98F10-I73 HydrophobicContact CE2-CD1 3.82Å; F10-I73 HydrophobicContact CE2-CG1 4.16Å; F10-I73 HydrophobicContact CZ-CD1 3.93Å; V19-I73 HydrophobicContact CB-CD1 4.32Å; V19-I73 HydrophobicContact CG2-CD1 4.13Å; L20-I73 PolarHBondContact O-N 2.81Å; I21-I73 CarbonylContact C-O 3.56Å; I21-I73 WeakPolarHBondContact CA-O 3.46Å; I21-I73 HydrophobicContact CG1-CB 4.36Å; I21-I73 HydrophobicContact CG1-CD1 4.38Å; L22-I73 PolarHBondContact N-O 3.02Å; L36-I73 HydrophobicContact CD1-CG2 4.22Å; F40-I73 HydrophobicContact CE2-CD1 3.9Å; F40-I73 HydrophobicContact CZ-CD1 3.59Å; I73-V75 HydrophobicContact CG2-CG2 4.1Å; I73-F96 CarbonylContact C-O 3.5Å; I73-F96 WeakPolarHBondContact CA-O 3.32Å; I73-F96 HydrophobicContact CG1-CB 4.26Å; I73-I98 HydrophobicContact CG2-CD1 3.79Å; I73-I98 HydrophobicContact CG2-CG1 4.16Å
74L98.9Very high96.1Very high0 Ų036.1 Ų36.10%019%0.186CC..EExtended strand (participates in β ladder)trans-102.6119.9176.6-57.9179.5000108.6L22 L58 V72 C77 L83 F95 F96 V97 I98L22-L74 HydrophobicContact CB-CD2 3.74Å; L22-L74 HydrophobicContact CD1-CD2 3.84Å; L22-L74 HydrophobicContact CG-CD2 4.16Å; L22-L74 CarbonylContact O-C 3.47Å; L22-L74 WeakPolarHBondContact O-CA 3.34Å; L58-L74 HydrophobicContact CD1-CD2 3.73Å; V72-L74 HydrophobicContact CG1-CD2 3.99Å; V72-L74 HydrophobicContact CG1-CG 4.49Å; L74-C77 WeakPolarHBondContact CB-O 3.45Å; L74-L83 HydrophobicContact CD1-CD1 3.57Å; L74-L83 HydrophobicContact CD1-CD2 3.54Å; L74-L83 HydrophobicContact CD1-CG 4.21Å; L74-F95 HydrophobicContact CD1-CD1 4.23Å; L74-F95 HydrophobicContact CG-CD1 4.47Å; L74-F96 PolarHBondContact N-O 3.46Å; L74-V97 HydrophobicContact CD1-CG2 4.28Å; L74-I98 PolarHBondContact O-N 3.33Å
75V98.8Very high96.1Very high0 Ų036.2 Ų36.20%019%0.19CC..EExtended strand (participates in β ladder)trans-110.4114.4-177.1178.30000109.8I21 L22 S24 C32 L36 I73 C77 I98I21-V75 HydrophobicContact CG2-CG2 3.91Å; L22-V75 PolarHBondContact O-N 2.75Å; S24-V75 PolarHBondContact N-O 2.78Å; C32-V75 HydrophobicContact CB-CG1 3.74Å; L36-V75 HydrophobicContact CD1-CG2 4.01Å; I73-V75 HydrophobicContact CG2-CG2 4.1Å; V75-C77 PolarHBondContact O-N 2.96Å; V75-C77 VanDerWaalsContact O-N 3.16Å; V75-I98 CarbonylContact C-O 3.56Å; V75-I98 WeakPolarHBondContact CA-O 3.26Å
76N98.4Very high96.1Very high0 Ų035.9 Ų35.90%019%0.191CC..SBendtrans50.331.6-173.6-70.9-23.4000113.1S24 E26 D28 S29 I98 D99 N100 K101 S192S24-N76 WeakPolarHBondContact CB-O 3.32Å; S24-N76 VanDerWaalsContact OG-CB 3.26Å; S24-N76 WeakPolarHBondContact OG-CB 3.28Å; S24-N76 PolarHBondContact OG-O 2.85Å; E26-N76 PolarHBondContact OE2-ND2 2.84Å; D28-N76 PolarHBondContact OD2-ND2 2.82Å; S29-N76 VanDerWaalsContact OG-CB 3.27Å; S29-N76 WeakPolarHBondContact OG-CB 3.23Å; S29-N76 PolarHBondContact OG-ND2 2.79Å; S29-N76 VanDerWaalsContact OG-ND2 3.1Å; N76-I98 PolarHBondContact N-O 2.97Å; N76-D99 VanDerWaalsContact C-CG 3.45Å; N76-D99 WeakPolarHBondContact CA-OD1 3.47Å; N76-N100 PolarHBondContact OD1-N 3.02Å; N76-N100 PolarHBondContact OD1-ND2 3.42Å; N76-K101 PolarHBondContact O-NZ 2.79Å; N76-S192 VanDerWaalsContact OD1-CB 3.31Å; N76-S192 WeakPolarHBondContact OD1-CB 3.45Å; N76-S192 PolarHBondContact OD1-OG 3.03Å
77C96.5Very high96.3Very high0 Ų034.1 Ų34.10%018%0.182CC..SBendtrans-142.3150.5168.858.50000109.8L22 L74 V75 D99 F486L22-C77 PolarHBondContact O-SG 3.01Å; L74-C77 WeakPolarHBondContact CB-O 3.45Å; V75-C77 PolarHBondContact O-N 2.96Å; V75-C77 VanDerWaalsContact O-N 3.16Å; C77-D99 VanDerWaalsContact CA-OD2 3.27Å; C77-D99 WeakPolarHBondContact CA-OD2 3.3Å; C77-D99 PolarHBondContact N-OD2 3.46Å; C77-F486 HydrophobicContact CB-CD1 3.8Å; C77-F486 HydrophobicContact CB-CD2 3.91Å; C77-F486 HydrophobicContact CB-CE1 3.67Å; C77-F486 HydrophobicContact CB-CE2 3.76Å; C77-F486 HydrophobicContact CB-CG 3.94Å; C77-F486 HydrophobicContact CB-CZ 3.65Å
78G95.3Very high96.4Very high1 Ų134.3 Ų34.31%0.0118%0.178CC..SBendtrans91.5-11.617200000116.8A80 D99 N108G78-A80 VanDerWaalsContact C-N 3.33Å; G78-A80 PolarHBondContact O-N 3.44Å; G78-D99 PolarHBondContact N-OD2 3.36Å; G78-N108 PolarHBondContact O-ND2 3.09Å
79A95.8Very high96.6Very high0 Ų028.7 Ų28.70%016%0.155CC..THydrogen-bonded Turntrans-64.5-38.917700000112.6V97 D99 L104 N105A79-V97 HydrophobicContact CB-CG1 4.14Å; A79-D99 HydrophobicContact CB-CB 3.62Å; A79-D99 WeakPolarHBondContact CB-OD2 3.47Å; A79-D99 PolarHBondContact N-OD2 2.98Å; A79-L104 HydrophobicContact CB-CD2 3.88Å; A79-N105 WeakPolarHBondContact O-CB 3.28Å; A79-N105 PolarHBondContact O-N 3.02Å
80A92.9Very high96.6Very high41 Ų4131.4 Ų31.434%0.33918%0.175SC..THydrogen-bonded Turntrans-91.8-0.6-175.400000114.4G78G78-A80 VanDerWaalsContact C-N 3.33Å; G78-A80 PolarHBondContact O-N 3.44Å
81I93.5Very high96.4Very high31 Ų3133.7 Ų33.716%0.15919%0.191CC..SBendtrans-117.8139.8-172.1-64.9152.1000109.7T55 L83 L86 N108 F486T55-I81 HydrophobicContact CG2-CD1 3.49Å; T55-I81 VanDerWaalsContact CG2-CD1 3.49Å; T55-I81 HydrophobicContact CG2-CG1 4.26Å; I81-L83 PolarHBondContact O-N 3Å; I81-L86 HydrophobicContact CG2-CB 4.39Å; I81-L86 HydrophobicContact CG2-CD2 3.9Å; I81-N108 PolarHBondContact O-ND2 3.01Å; I81-N108 PolarHBondContact O-OD1 3.49Å; I81-F486 HydrophobicContact CD1-CD1 3.55Å; I81-F486 HydrophobicContact CD1-CE1 4.12Å
82D95.4Very high96.2Very high33 Ų3338.2 Ų38.218%0.17621%0.214CC..  trans-66.7104.9171-171.5-25.5000109.9I84 D85 L86 N105 N107D82-I84 PolarHBondContact OD1-N 3.09Å; D82-I84 VanDerWaalsContact OD1-N 3.1Å; D82-D85 HydrophobicContact CB-CB 4.01Å; D82-D85 VanDerWaalsContact CG-CB 3.48Å; D82-D85 PolarHBondContact OD1-N 3.19Å; D82-L86 VanDerWaalsContact O-CB 3.22Å; D82-L86 WeakPolarHBondContact O-CB 3.22Å; D82-L86 PolarHBondContact O-N 3.16Å; D82-L86 VanDerWaalsContact O-N 3.1Å; D82-N105 PolarHBondContact N-ND2 3.04Å; D82-N107 WeakPolarHBondContact OD2-CB 3.34Å; D82-N107 PolarHBondContact OD2-ND2 2.89Å
83L97.6Very high96.1Very high0 Ų038.2 Ų38.20%021%0.214CC..Hα-helixtrans-75.6-30.7-174.8-69.4173.1000112.2L74 I81 L87 V97 N108 I115L74-L83 HydrophobicContact CD1-CD1 3.57Å; L74-L83 HydrophobicContact CD1-CD2 3.54Å; L74-L83 HydrophobicContact CD1-CG 4.21Å; I81-L83 PolarHBondContact O-N 3Å; L83-L87 HydrophobicContact CD2-CD1 4.23Å; L83-L87 VanDerWaalsContact O-CB 3.26Å; L83-L87 WeakPolarHBondContact O-CB 3.38Å; L83-L87 PolarHBondContact O-N 3Å; L83-V97 HydrophobicContact CD1-CG2 3.65Å; L83-N108 PolarHBondContact N-OD1 2.98Å; L83-I115 HydrophobicContact CB-CD1 3.92Å; L83-I115 HydrophobicContact CD1-CD1 3.97Å; L83-I115 HydrophobicContact CD1-CG2 4.27Å
84I96.7Very high96.1Very high50 Ų5039.7 Ų39.726%0.25622%0.221SC..Hα-helixtrans-72.8-45.6-179-60.3-58.1000109.5D82 Q88 P89 E111 Q114 I115D82-I84 PolarHBondContact OD1-N 3.09Å; D82-I84 VanDerWaalsContact OD1-N 3.1Å; I84-Q88 WeakPolarHBondContact O-CA 3.43Å; I84-Q88 PolarHBondContact O-N 3.26Å; I84-P89 HydrophobicContact CD1-CG 3.81Å; I84-E111 HydrophobicContact CD1-CG 4.21Å; I84-E111 HydrophobicContact CG1-CG 4.12Å; I84-Q114 HydrophobicContact CD1-CB 4.25Å; I84-I115 HydrophobicContact CD1-CD1 3.92Å; I84-I115 HydrophobicContact CD1-CG1 4.04Å; I84-I115 HydrophobicContact CG1-CG1 4.27Å
85D96Very high96.1Very high118 Ų11839.7 Ų39.763%0.63122%0.221SC*.Hα-helixtrans-62.6-47.3175.5-176.364.8000111.6D82D82-D85 HydrophobicContact CB-CB 4.01Å; D82-D85 VanDerWaalsContact CG-CB 3.48Å; D82-D85 PolarHBondContact OD1-N 3.19Å
86L96.7Very high96.1Very high41 Ų4139.7 Ų39.722%0.21522%0.221CC..Hα-helixtrans-66.6-48.9-177.5178.264.7000112.9T55 L58 L59 I81 D82T55-L86 HydrophobicContact CG2-CD2 4.27Å; L58-L86 HydrophobicContact CD2-CD2 4.03Å; L59-L86 WeakPolarHBondContact CD1-O 3.5Å; I81-L86 HydrophobicContact CG2-CB 4.39Å; I81-L86 HydrophobicContact CG2-CD2 3.9Å; D82-L86 VanDerWaalsContact O-CB 3.22Å; D82-L86 WeakPolarHBondContact O-CB 3.22Å; D82-L86 PolarHBondContact O-N 3.16Å; D82-L86 VanDerWaalsContact O-N 3.1Å
87L97.3Very high96.1Very high0 Ų039.7 Ų39.70%022%0.221CC..Hα-helixtrans-96.8-19.8-167.4-58.8179.4000113.6L59 Y62 M63 L83 F95L59-L87 HydrophobicContact CB-CD2 4.34Å; L59-L87 HydrophobicContact CD1-CD2 3.91Å; Y62-L87 HydrophobicContact CD1-CB 3.85Å; Y62-L87 HydrophobicContact CD1-CD1 4.46Å; Y62-L87 HydrophobicContact CD1-CD2 3.97Å; Y62-L87 HydrophobicContact CD1-CG 4.32Å; Y62-L87 HydrophobicContact CE1-CB 3.94Å; Y62-L87 WeakPolarHBondContact CE1-O 3.26Å; Y62-L87 HydrophobicContact CG-CB 4.5Å; Y62-L87 HydrophobicContact CG-CD1 4.29Å; Y62-L87 HydrophobicContact CG-CD2 4.11Å; M63-L87 WeakPolarHBondContact CE-O 3.38Å; L83-L87 HydrophobicContact CD2-CD1 4.23Å; L83-L87 VanDerWaalsContact O-CB 3.26Å; L83-L87 WeakPolarHBondContact O-CB 3.38Å; L83-L87 PolarHBondContact O-N 3Å; L87-F95 HydrophobicContact CD1-CD1 4.27Å; L87-F95 HydrophobicContact CD1-CE1 3.41Å; L87-F95 VanDerWaalsContact CD1-CE1 3.41Å; L87-F95 HydrophobicContact CD1-CZ 3.69Å
88Q95.7Very high96.2Very high155 Ų15539.7 Ų39.772%0.72422%0.221SC*.  trans44.156.2-176.3-59.2-174.4-21.300112.8I84I84-Q88 WeakPolarHBondContact O-CA 3.43Å; I84-Q88 PolarHBondContact O-N 3.26Å
89P96.3Very high96.3Very high19 Ų1939.7 Ų39.712%0.12322%0.221CC..  trans-71.3157.6-171.131.6-37.5000112.9Y62 I84 T93 F95Y62-P89 WeakPolarHBondContact OH-CA 3.5Å; Y62-P89 VanDerWaalsContact OH-CB 3.26Å; Y62-P89 WeakPolarHBondContact OH-CB 3.45Å; I84-P89 HydrophobicContact CD1-CG 3.81Å; P89-T93 HydrophobicContact CB-CG2 4.36Å; P89-F95 HydrophobicContact CB-CE2 3.54Å; P89-F95 HydrophobicContact CB-CZ 3.85Å; P89-F95 HydrophobicContact CG-CE2 3.7Å; P89-F95 HydrophobicContact CG-CZ 4.28Å
90S94.6Very high96.4Very high63 Ų6339.7 Ų39.744%0.44122%0.221SC..  trans-64.5151.8166.171.20000110.6E92 T93 Q114S90-E92 PolarHBondContact O-N 2.96Å; S90-T93 WeakPolarHBondContact O-CB 3.49Å; S90-T93 PolarHBondContact O-N 2.98Å; S90-T93 PolarHBondContact O-OG1 3.29Å; S90-T93 PolarHBondContact OG-OG1 3.23Å; S90-Q114 PolarHBondContact O-NE2 3.33Å
91S92.5Very high96.5Very high106 Ų10638 Ų3874%0.74121%0.206SC*.THydrogen-bonded Turntrans-60.9-15.6-179.256.90000114.8
92E93.9Very high96.5Very high144 Ų14436.7 Ų36.767%0.67320%0.199SC*.THydrogen-bonded Turntrans-86.6-16.2177.8-61.8-179.1176.200112.8S90S90-E92 PolarHBondContact O-N 2.96Å
93T97.2Very high96.5Very high1 Ų135.9 Ų35.91%0.00620%0.196CC..  trans-76.3128.3-178.7-53.30000110.2Y62 C70 V72 P89 S90 F95 Q114Y62-T93 HydrophobicContact CE2-CG2 4.14Å; Y62-T93 PolarHBondContact OH-OG1 3.39Å; C70-T93 CarbonylContact O-C 3.58Å; C70-T93 WeakPolarHBondContact O-CA 3.41Å; V72-T93 HydrophobicContact CG2-CG2 4.08Å; P89-T93 HydrophobicContact CB-CG2 4.36Å; S90-T93 WeakPolarHBondContact O-CB 3.49Å; S90-T93 PolarHBondContact O-N 2.98Å; S90-T93 PolarHBondContact O-OG1 3.29Å; S90-T93 PolarHBondContact OG-OG1 3.23Å; T93-F95 HydrophobicContact CG2-CD2 4.08Å; T93-F95 HydrophobicContact CG2-CE1 4.36Å; T93-F95 HydrophobicContact CG2-CE2 3.45Å; T93-F95 VanDerWaalsContact CG2-CE2 3.45Å; T93-F95 HydrophobicContact CG2-CZ 3.62Å; T93-Q114 PolarHBondContact O-NE2 2.68Å
94I98.1Very high96.5Very high30 Ų3035.9 Ų35.915%0.15420%0.196CC..EExtended strand (participates in β ladder)trans-113.8125.6174.5-62.9169.9000109C70 Y71 V72 F96 Q114 R116C70-I94 PolarHBondContact O-N 3.37Å; Y71-I94 WeakPolarHBondContact CA-O 3.45Å; Y71-I94 HydrophobicContact CD1-CB 4.11Å; Y71-I94 HydrophobicContact CE1-CB 4.35Å; Y71-I94 HydrophobicContact CE1-CD1 3.91Å; V72-I94 PolarHBondContact N-O 3.3Å; I94-F96 HydrophobicContact CG2-CD2 4.34Å; I94-F96 HydrophobicContact CG2-CE2 3.84Å; I94-F96 HydrophobicContact CG2-CZ 4.02Å; I94-Q114 CarbonylContact C-O 3.55Å; I94-Q114 WeakPolarHBondContact CA-O 3.43Å; I94-R116 HydrophobicContact CG2-CG 4.38Å
95F98.7Very high96.4Very high0 Ų034.5 Ų34.50%019%0.189CC..EExtended strand (participates in β ladder)trans-101.3130.6175.1-63.3-93.3000110.6Y62 V72 L74 L87 P89 T93 Q114 I115 R116Y62-F95 HydrophobicContact CD2-CE1 4.13Å; Y62-F95 HydrophobicContact CD2-CZ 4.21Å; Y62-F95 AromaticContact CE2-CE1 3.99Å; Y62-F95 HydrophobicContact CE2-CE1 3.99Å; Y62-F95 AromaticContact CE2-CZ 3.66Å; Y62-F95 HydrophobicContact CE2-CZ 3.66Å; Y62-F95 AromaticContact CZ-CZ 3.93Å; V72-F95 HydrophobicContact CB-CD1 3.62Å; V72-F95 HydrophobicContact CB-CE1 3.79Å; V72-F95 HydrophobicContact CB-CG 4.43Å; V72-F95 HydrophobicContact CG1-CD1 3.83Å; V72-F95 HydrophobicContact CG1-CE1 3.9Å; V72-F95 HydrophobicContact CG2-CD1 4.28Å; V72-F95 HydrophobicContact CG2-CE1 3.97Å; V72-F95 CarbonylContact O-C 3.6Å; V72-F95 VanDerWaalsContact O-CA 3.3Å; V72-F95 WeakPolarHBondContact O-CA 3.46Å; L74-F95 HydrophobicContact CD1-CD1 4.23Å; L74-F95 HydrophobicContact CG-CD1 4.47Å; L87-F95 HydrophobicContact CD1-CD1 4.27Å; L87-F95 HydrophobicContact CD1-CE1 3.41Å; L87-F95 VanDerWaalsContact CD1-CE1 3.41Å; L87-F95 HydrophobicContact CD1-CZ 3.69Å; P89-F95 HydrophobicContact CB-CE2 3.54Å; P89-F95 HydrophobicContact CB-CZ 3.85Å; P89-F95 HydrophobicContact CG-CE2 3.7Å; P89-F95 HydrophobicContact CG-CZ 4.28Å; T93-F95 HydrophobicContact CG2-CD2 4.08Å; T93-F95 HydrophobicContact CG2-CE1 4.36Å; T93-F95 HydrophobicContact CG2-CE2 3.45Å; T93-F95 VanDerWaalsContact CG2-CE2 3.45Å; T93-F95 HydrophobicContact CG2-CZ 3.62Å; F95-Q114 PolarHBondContact N-O 2.92Å; F95-I115 HydrophobicContact CB-CD1 3.71Å; F95-I115 HydrophobicContact CD2-CD1 3.56Å; F95-I115 HydrophobicContact CE2-CD1 4.46Å; F95-I115 HydrophobicContact CG-CD1 3.85Å; F95-R116 WeakPolarHBondContact O-CB 3.32Å; F95-R116 PolarHBondContact O-N 2.9Å
96F98.7Very high96.4Very high0 Ų029.1 Ų29.10%016%0.16CC..EExtended strand (participates in β ladder)trans-106.4114.6167.8-68.1-78.3000109.1D9 F10 V13 V14 Y71 V72 I73 L74 I94 R116 L118D9-F96 WeakPolarHBondContact O-CE1 3.49Å; F10-F96 HydrophobicContact CB-CD1 4.24Å; F10-F96 HydrophobicContact CB-CE1 4.07Å; F10-F96 HydrophobicContact CD2-CB 4.04Å; F10-F96 AromaticContact CD2-CD1 3.44Å; F10-F96 HydrophobicContact CD2-CD1 3.44Å; F10-F96 VanDerWaalsContact CD2-CD1 3.44Å; F10-F96 AromaticContact CD2-CD2 3.98Å; F10-F96 HydrophobicContact CD2-CD2 3.98Å; F10-F96 AromaticContact CD2-CE1 3.75Å; F10-F96 HydrophobicContact CD2-CE1 3.75Å; F10-F96 HydrophobicContact CD2-CE2 4.26Å; F10-F96 AromaticContact CD2-CG 3.54Å; F10-F96 HydrophobicContact CD2-CG 3.54Å; F10-F96 HydrophobicContact CD2-CZ 4.15Å; F10-F96 HydrophobicContact CE2-CB 3.97Å; F10-F96 HydrophobicContact CE2-CD1 4.22Å; F10-F96 HydrophobicContact CE2-CD2 4.16Å; F10-F96 AromaticContact CE2-CG 3.86Å; F10-F96 HydrophobicContact CE2-CG 3.86Å; F10-F96 HydrophobicContact CG-CD1 4.27Å; F10-F96 HydrophobicContact CG-CE1 4.41Å; V13-F96 HydrophobicContact CB-CZ 4.06Å; V13-F96 HydrophobicContact CG1-CE2 4.39Å; V13-F96 HydrophobicContact CG1-CZ 3.95Å; V14-F96 HydrophobicContact CG1-CD2 3.84Å; V14-F96 HydrophobicContact CG1-CE2 3.41Å; V14-F96 VanDerWaalsContact CG1-CE2 3.41Å; V14-F96 HydrophobicContact CG1-CZ 4.14Å; Y71-F96 HydrophobicContact CD1-CE2 4.09Å; V72-F96 PolarHBondContact O-N 2.93Å; I73-F96 CarbonylContact C-O 3.5Å; I73-F96 WeakPolarHBondContact CA-O 3.32Å; I73-F96 HydrophobicContact CG1-CB 4.26Å; L74-F96 PolarHBondContact N-O 3.46Å; I94-F96 HydrophobicContact CG2-CD2 4.34Å; I94-F96 HydrophobicContact CG2-CE2 3.84Å; I94-F96 HydrophobicContact CG2-CZ 4.02Å; F96-R116 CarbonylContact C-O 3.58Å; F96-R116 VanDerWaalsContact CA-O 3.26Å; F96-R116 WeakPolarHBondContact CA-O 3.34Å; F96-R116 HydrophobicContact CD1-CB 3.7Å; F96-R116 HydrophobicContact CE1-CB 3.91Å; F96-R116 HydrophobicContact CE1-CG 4.28Å; F96-L118 HydrophobicContact CB-CD1 4.19Å; F96-L118 HydrophobicContact CD1-CD1 3.95Å
97V98.7Very high96.4Very high0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-99.3115.5-178.6-174.70000108.9L74 A79 L83 D99 I115 R116 I117 L118L74-V97 HydrophobicContact CD1-CG2 4.28Å; A79-V97 HydrophobicContact CB-CG1 4.14Å; L83-V97 HydrophobicContact CD1-CG2 3.65Å; V97-D99 HydrophobicContact CG1-CB 3.82Å; V97-I115 HydrophobicContact CG2-CG2 4.08Å; V97-R116 PolarHBondContact N-O 3.2Å; V97-I117 HydrophobicContact CB-CB 4.44Å; V97-I117 HydrophobicContact CB-CG1 4.21Å; V97-I117 HydrophobicContact CB-CG2 4.28Å; V97-I117 HydrophobicContact CG1-CG2 4.48Å; V97-I117 HydrophobicContact CG2-CG1 4.4Å; V97-L118 PolarHBondContact O-N 3Å
98I98.7Very high96.3Very high0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-115.381.2175-44.7-177000106.7F10 L36 I73 L74 V75 N76 L118 S192 V196F10-I98 HydrophobicContact CZ-CD1 4.17Å; L36-I98 HydrophobicContact CD1-CD1 4.34Å; L36-I98 HydrophobicContact CD2-CD1 4.43Å; I73-I98 HydrophobicContact CG2-CD1 3.79Å; I73-I98 HydrophobicContact CG2-CG1 4.16Å; L74-I98 PolarHBondContact O-N 3.33Å; V75-I98 CarbonylContact C-O 3.56Å; V75-I98 WeakPolarHBondContact CA-O 3.26Å; N76-I98 PolarHBondContact N-O 2.97Å; I98-L118 HydrophobicContact CD1-CD2 4.1Å; I98-L118 HydrophobicContact CG1-CB 4.43Å; I98-L118 HydrophobicContact CG1-CD1 4.32Å; I98-L118 HydrophobicContact CG1-CD2 4.05Å; I98-L118 HydrophobicContact CG1-CG 4.49Å; I98-S192 PolarHBondContact O-OG 2.61Å; I98-V196 HydrophobicContact CD1-CG2 3.8Å; I98-V196 HydrophobicContact CG2-CG2 3.88Å
99D98.4Very high96.3Very high1 Ų124.4 Ų24.41%0.00514%0.141CC..  trans-137.9131.4-172.8-175-5.2000108.9N76 C77 G78 A79 V97 K101 R102N76-D99 VanDerWaalsContact C-CG 3.45Å; N76-D99 WeakPolarHBondContact CA-OD1 3.47Å; C77-D99 VanDerWaalsContact CA-OD2 3.27Å; C77-D99 WeakPolarHBondContact CA-OD2 3.3Å; C77-D99 PolarHBondContact N-OD2 3.46Å; G78-D99 PolarHBondContact N-OD2 3.36Å; A79-D99 HydrophobicContact CB-CB 3.62Å; A79-D99 WeakPolarHBondContact CB-OD2 3.47Å; A79-D99 PolarHBondContact N-OD2 2.98Å; V97-D99 HydrophobicContact CG1-CB 3.82Å; D99-K101 VanDerWaalsContact C-N 3.33Å; D99-K101 WeakPolarHBondContact OD1-CB 3.4Å; D99-K101 VanDerWaalsContact OD1-CG 3.29Å; D99-K101 WeakPolarHBondContact OD1-CG 3.45Å; D99-K101 PolarHBondContact OD1-N 3.35Å; D99-K101 IonicContact OD1-NZ 3.58Å; D99-K101 PolarHBondContact OD1-NZ 3.28Å; D99-R102 PolarHBondContact O-NH1 2.8Å
100N96.3Very high96.3Very high0 Ų025.5 Ų25.50%014%0.143CC..  trans-86.7-3.8-176.462.325.2000112.4D28 N76 Y188 S189 M190 Q221D28-N100 PolarHBondContact OD2-ND2 3.33Å; N76-N100 PolarHBondContact OD1-N 3.02Å; N76-N100 PolarHBondContact OD1-ND2 3.42Å; N100-Y188 CarbonylContact O-C 3.56Å; N100-Y188 WeakPolarHBondContact O-CA 3.34Å; N100-Y188 WeakPolarHBondContact OD1-CD1 3.37Å; N100-S189 WeakPolarHBondContact CA-OG 3.37Å; N100-S189 PolarHBondContact O-N 3.17Å; N100-S189 PolarHBondContact O-OG 2.97Å; N100-M190 WeakPolarHBondContact CB-O 3.32Å; N100-Q221 PolarHBondContact ND2-NE2 2.69Å; N100-Q221 VanDerWaalsContact ND2-NE2 3.11Å
101K95.5Very high96.2Very high7 Ų724.8 Ų24.83%0.0313%0.133CC..EExtended strand (participates in β ladder)trans-74.8139179.6-64.9169.8-170.872.50111.7E26 N76 D99 Y188 E487E26-K101 IonicContact OE1-NZ 3.51Å; E26-K101 PolarHBondContact OE1-NZ 3.49Å; E26-K101 IonicContact OE2-NZ 2.76Å; N76-K101 PolarHBondContact O-NZ 2.79Å; D99-K101 VanDerWaalsContact C-N 3.33Å; D99-K101 WeakPolarHBondContact OD1-CB 3.4Å; D99-K101 VanDerWaalsContact OD1-CG 3.29Å; D99-K101 WeakPolarHBondContact OD1-CG 3.45Å; D99-K101 PolarHBondContact OD1-N 3.35Å; D99-K101 IonicContact OD1-NZ 3.58Å; D99-K101 PolarHBondContact OD1-NZ 3.28Å; K101-Y188 HydrophobicContact CG-CD1 4.21Å; K101-Y188 HydrophobicContact CG-CE1 3.86Å; K101-E487 WeakPolarHBondContact CE-OE1 3.42Å
102R94.5Very high95.9Very high3 Ų323.5 Ų23.51%0.01112%0.124CC..EExtended strand (participates in β ladder)trans-133.9154.3178.1-58.9-65.8179.5-94.3-0.9109.9D99 E123 S186 Y187 S189D99-R102 PolarHBondContact O-NH1 2.8Å; R102-E123 IonicContact CZ-OE1 2.78Å; R102-E123 IonicContact CZ-OE2 3.89Å; R102-E123 IonicContact NE-OE1 2.83Å; R102-E123 PolarHBondContact NE-OE1 3.1Å; R102-E123 IonicContact NE-OE2 3.96Å; R102-E123 IonicContact NH2-OE1 2.92Å; R102-E123 PolarHBondContact NH2-OE1 3.5Å; R102-E123 IonicContact NH2-OE2 3.16Å; R102-E123 PolarHBondContact NH2-OE2 3.48Å; R102-S186 CarbonylContact O-C 3.58Å; R102-S186 WeakPolarHBondContact O-CA 3.28Å; R102-S186 WeakPolarHBondContact O-CB 3.42Å; R102-Y187 HydrophobicContact CB-CD1 3.96Å; R102-Y187 HydrophobicContact CB-CD2 3.77Å; R102-Y187 HydrophobicContact CB-CE1 3.64Å; R102-Y187 HydrophobicContact CB-CE2 3.44Å; R102-Y187 VanDerWaalsContact CB-CE2 3.44Å; R102-Y187 HydrophobicContact CB-CG 4.02Å; R102-Y187 WeakPolarHBondContact CB-O 3.32Å; R102-Y187 HydrophobicContact CG-CD2 4.08Å; R102-Y187 HydrophobicContact CG-CE2 3.55Å; R102-Y187 PolarHBondContact N-O 2.95Å; R102-Y187 PolarHBondContact O-N 2.88Å; R102-S189 PolarHBondContact NH2-OG 3.05Å
103P95Very high95.9Very high15 Ų1524.5 Ų24.510%0.09713%0.126CC..SBendcis-73.2163.3-1.732.8-36.9000111.9Y182 Y183 F185P103-Y182 HydrophobicContact CB-CD1 4.27Å; P103-Y182 HydrophobicContact CB-CE1 3.69Å; P103-Y182 HydrophobicContact CB-CE2 4.12Å; P103-Y182 HydrophobicContact CG-CE1 4.35Å; P103-Y183 HydrophobicContact CB-CD1 4.48Å; P103-Y183 HydrophobicContact CG-CD1 3.57Å; P103-Y183 HydrophobicContact CG-CE1 3.98Å; P103-F185 VanDerWaalsContact CD-O 3.32Å; P103-F185 WeakPolarHBondContact CD-O 3.47Å
104L96.4Very high95.8Very high0 Ų025.9 Ų25.90%013%0.132CC..PPolyproline II helixtrans-75143.3176-56.2175.1000109.8L2 A79 L106 V109 I117 I119 L127 Y182 Y183L2-L104 HydrophobicContact CD2-CD1 4.1Å; A79-L104 HydrophobicContact CB-CD2 3.88Å; L104-L106 PolarHBondContact O-N 3.46Å; L104-V109 HydrophobicContact CB-CG2 3.61Å; L104-V109 HydrophobicContact CD1-CG2 3.86Å; L104-V109 HydrophobicContact CG-CG2 4.4Å; L104-I117 HydrophobicContact CD1-CD1 4.16Å; L104-I117 HydrophobicContact CD1-CG2 4.42Å; L104-I117 HydrophobicContact CD2-CD1 4.49Å; L104-I117 HydrophobicContact CD2-CG2 4.15Å; L104-I119 HydrophobicContact CD1-CD1 3.55Å; L104-L127 HydrophobicContact CD1-CD1 4.17Å; L104-L127 HydrophobicContact CD1-CD2 4.42Å; L104-Y182 PolarHBondContact N-OH 3.06Å; L104-Y182 VanDerWaalsContact N-OH 3.09Å; L104-Y182 VanDerWaalsContact O-CE1 3.22Å; L104-Y182 WeakPolarHBondContact O-CE1 2.95Å; L104-Y182 PolarHBondContact O-OH 3.45Å; L104-Y183 PolarHBondContact O-OH 2.99Å
105N95.7Very high95.8Very high22 Ų2224.4 Ų24.412%0.11813%0.125CC..PPolyproline II helixtrans-61.9124.1168.4-173.1-71.3000109.3A79 D82 N107 N108 V109 Y183A79-N105 WeakPolarHBondContact O-CB 3.28Å; A79-N105 PolarHBondContact O-N 3.02Å; D82-N105 PolarHBondContact N-ND2 3.04Å; N105-N107 VanDerWaalsContact C-N 3.29Å; N105-N107 PolarHBondContact O-N 2.69Å; N105-N107 VanDerWaalsContact OD1-CB 3.3Å; N105-N107 WeakPolarHBondContact OD1-CB 3.36Å; N105-N107 PolarHBondContact OD1-N 3.43Å; N105-N108 HydrophobicContact CB-CB 4.36Å; N105-N108 WeakPolarHBondContact O-CB 3.4Å; N105-N108 PolarHBondContact O-N 3Å; N105-N108 PolarHBondContact OD1-N 2.97Å; N105-V109 WeakPolarHBondContact O-CG2 3.26Å; N105-V109 PolarHBondContact O-N 2.85Å; N105-V109 VanDerWaalsContact O-N 3.15Å; N105-Y183 WeakPolarHBondContact CA-OH 3.17Å
106L96.3Very high95.8Very high4 Ų426.7 Ų26.72%0.02113%0.133CC..Hα-helixtrans-67.6-31.7-172.8-72.4178.2000111.7L104 N108 V109 Y110 I129 P130 V135 L179 Y182 Y183L104-L106 PolarHBondContact O-N 3.46Å; L106-N108 VanDerWaalsContact C-N 3.29Å; L106-N108 PolarHBondContact O-N 3.48Å; L106-V109 WeakPolarHBondContact O-CB 3.46Å; L106-V109 PolarHBondContact O-N 2.82Å; L106-V109 VanDerWaalsContact O-N 3.08Å; L106-Y110 HydrophobicContact CB-CD2 4.1Å; L106-Y110 HydrophobicContact CB-CE2 3.64Å; L106-Y110 HydrophobicContact CD1-CE2 4.35Å; L106-Y110 HydrophobicContact CD2-CE1 4.47Å; L106-Y110 HydrophobicContact CD2-CE2 4.45Å; L106-Y110 HydrophobicContact CG-CE2 4.35Å; L106-Y110 WeakPolarHBondContact O-CB 3.47Å; L106-Y110 WeakPolarHBondContact O-CD2 3.36Å; L106-Y110 PolarHBondContact O-N 2.96Å; L106-I129 HydrophobicContact CD2-CG2 4Å; L106-P130 HydrophobicContact CD1-CG 4.37Å; L106-V135 HydrophobicContact CD1-CG1 4.39Å; L106-V135 HydrophobicContact CD1-CG2 4.48Å; L106-L179 HydrophobicContact CD1-CD2 3.59Å; L106-Y182 HydrophobicContact CD1-CD1 4Å; L106-Y182 HydrophobicContact CD1-CE1 4.13Å; L106-Y182 HydrophobicContact CD2-CD1 4.16Å; L106-Y182 HydrophobicContact CD2-CE1 3.57Å; L106-Y182 HydrophobicContact CD2-CE2 4.4Å; L106-Y182 HydrophobicContact CG-CD1 4.03Å; L106-Y182 HydrophobicContact CG-CE1 3.63Å; L106-Y183 HydrophobicContact CD1-CE2 4.05Å; L106-Y183 HydrophobicContact CG-CE2 4.28Å; L106-Y183 WeakPolarHBondContact CG-OH 3.36Å; L106-Y183 PolarHBondContact N-OH 3.26Å
107N95.1Very high95.8Very high80 Ų8026.7 Ų26.743%0.42813%0.133SC..Hα-helixtrans-63.5-38.7176.4-59.7-19.8000110.6D82 N105 E111D82-N107 WeakPolarHBondContact OD2-CB 3.34Å; D82-N107 PolarHBondContact OD2-ND2 2.89Å; N105-N107 VanDerWaalsContact C-N 3.29Å; N105-N107 PolarHBondContact O-N 2.69Å; N105-N107 VanDerWaalsContact OD1-CB 3.3Å; N105-N107 WeakPolarHBondContact OD1-CB 3.36Å; N105-N107 PolarHBondContact OD1-N 3.43Å; N107-E111 WeakPolarHBondContact O-CB 3.24Å; N107-E111 PolarHBondContact O-N 3.37Å
108N96.7Very high95.8Very high0 Ų026.8 Ų26.80%013%0.133CC..Hα-helixtrans-66.9-35.2172.7-68.6-11.7000113.2G78 I81 L83 N105 L106 I115 I117G78-N108 PolarHBondContact O-ND2 3.09Å; I81-N108 PolarHBondContact O-ND2 3.01Å; I81-N108 PolarHBondContact O-OD1 3.49Å; L83-N108 PolarHBondContact N-OD1 2.98Å; N105-N108 HydrophobicContact CB-CB 4.36Å; N105-N108 WeakPolarHBondContact O-CB 3.4Å; N105-N108 PolarHBondContact O-N 3Å; N105-N108 PolarHBondContact OD1-N 2.97Å; L106-N108 VanDerWaalsContact C-N 3.29Å; L106-N108 PolarHBondContact O-N 3.48Å; N108-I115 HydrophobicContact CB-CG2 3.92Å; N108-I117 HydrophobicContact CB-CD1 4.08Å
109V95.8Very high95.7Very high18 Ų1826.8 Ų26.811%0.10913%0.133CC..Hα-helixtrans-69.5-48.1179.5172.50000110.2M1 L104 N105 L106 I117 I129M1-V109 PolarHBondContact N-O 2.77Å; L104-V109 HydrophobicContact CB-CG2 3.61Å; L104-V109 HydrophobicContact CD1-CG2 3.86Å; L104-V109 HydrophobicContact CG-CG2 4.4Å; N105-V109 WeakPolarHBondContact O-CG2 3.26Å; N105-V109 PolarHBondContact O-N 2.85Å; N105-V109 VanDerWaalsContact O-N 3.15Å; L106-V109 WeakPolarHBondContact O-CB 3.46Å; L106-V109 PolarHBondContact O-N 2.82Å; L106-V109 VanDerWaalsContact O-N 3.08Å; V109-I117 HydrophobicContact CG2-CD1 4.02Å; V109-I129 HydrophobicContact CG1-CD1 4Å; V109-I129 HydrophobicContact CG1-CG2 3.91Å; V109-I129 HydrophobicContact CG2-CD1 4.48Å
110Y94.8Very high95.5Very high41 Ų4129 Ų2916%0.16115%0.145CC..Hα-helixtrans-71.8-28.1-179-58.4-30.9000112.5L106 S112 I129 P130 Y132 V135L106-Y110 HydrophobicContact CB-CD2 4.1Å; L106-Y110 HydrophobicContact CB-CE2 3.64Å; L106-Y110 HydrophobicContact CD1-CE2 4.35Å; L106-Y110 HydrophobicContact CD2-CE1 4.47Å; L106-Y110 HydrophobicContact CD2-CE2 4.45Å; L106-Y110 HydrophobicContact CG-CE2 4.35Å; L106-Y110 WeakPolarHBondContact O-CB 3.47Å; L106-Y110 WeakPolarHBondContact O-CD2 3.36Å; L106-Y110 PolarHBondContact O-N 2.96Å; Y110-S112 PolarHBondContact O-N 3.29Å; Y110-I129 HydrophobicContact CE1-CG2 4.25Å; Y110-P130 WeakPolarHBondContact CE1-O 3.26Å; Y110-P130 PolarHBondContact OH-O 3.39Å; Y110-Y132 AromaticContact CD1-CD2 3.99Å; Y110-Y132 HydrophobicContact CD1-CD2 3.99Å; Y110-Y132 AromaticContact CD2-CD2 3.84Å; Y110-Y132 HydrophobicContact CD2-CD2 3.84Å; Y110-Y132 HydrophobicContact CD2-CE2 4.33Å; Y110-Y132 HydrophobicContact CE2-CD2 4.39Å; Y110-Y132 AromaticContact CG-CD2 3.63Å; Y110-Y132 HydrophobicContact CG-CD2 3.63Å; Y110-Y132 HydrophobicContact CG-CE2 4.27Å; Y110-V135 HydrophobicContact CE2-CB 4.12Å; Y110-V135 HydrophobicContact CE2-CG1 4.07Å; Y110-V135 WeakPolarHBondContact OH-CG2 3.33Å
111E92.7Very high95.4Very high49 Ų4934.9 Ų34.923%0.22918%0.176CC..  trans-66.8106.2168.8178.944.9-118.800110.1M1 I84 N107 K113 Q114 I115M1-E111 PolarHBondContact N-O 2.82Å; I84-E111 HydrophobicContact CD1-CG 4.21Å; I84-E111 HydrophobicContact CG1-CG 4.12Å; N107-E111 WeakPolarHBondContact O-CB 3.24Å; N107-E111 PolarHBondContact O-N 3.37Å; E111-K113 WeakPolarHBondContact OE1-CA 3.3Å; E111-K113 VanDerWaalsContact OE1-CB 3.26Å; E111-K113 WeakPolarHBondContact OE1-CB 3.31Å; E111-K113 PolarHBondContact OE1-N 3.3Å; E111-Q114 HydrophobicContact CG-CB 4.3Å; E111-Q114 PolarHBondContact OE1-N 2.97Å; E111-I115 HydrophobicContact CB-CB 4.34Å; E111-I115 HydrophobicContact CB-CG1 4.1Å; E111-I115 HydrophobicContact CG-CB 4.14Å; E111-I115 HydrophobicContact CG-CG1 3.7Å
112S86.9Confident95.2Very high79 Ų7938.2 Ų38.255%0.55220%0.204SC*.  trans-96.8-17.4-172.556.80000114.1Y110Y110-S112 PolarHBondContact O-N 3.29Å
113K93.3Very high95.1Very high165 Ų16538.8 Ų38.872%0.71721%0.207SC*.SBendtrans-92.3-52.5-174-58.6175-179.1169.80111.4E111E111-K113 WeakPolarHBondContact OE1-CA 3.3Å; E111-K113 VanDerWaalsContact OE1-CB 3.26Å; E111-K113 WeakPolarHBondContact OE1-CB 3.31Å; E111-K113 PolarHBondContact OE1-N 3.3Å
114Q96.4Very high95.1Very high29 Ų2940.4 Ų40.414%0.13622%0.217CC..SBendtrans-96.8-32.4-169.9-61-167.6-10700113.5I84 S90 T93 I94 F95 E111I84-Q114 HydrophobicContact CD1-CB 4.25Å; S90-Q114 PolarHBondContact O-NE2 3.33Å; T93-Q114 PolarHBondContact O-NE2 2.68Å; I94-Q114 CarbonylContact C-O 3.55Å; I94-Q114 WeakPolarHBondContact CA-O 3.43Å; F95-Q114 PolarHBondContact N-O 2.92Å; E111-Q114 HydrophobicContact CG-CB 4.3Å; E111-Q114 PolarHBondContact OE1-N 2.97Å
115I98.1Very high94.8Very high0 Ų047.4 Ų47.40%025%0.254CS..EExtended strand (participates in β ladder)trans-103.7124.4-175.4-50.4-57.1000111.3M1 L83 I84 F95 V97 N108 E111 I117M1-I115 PolarHBondContact N-O 3.12Å; L83-I115 HydrophobicContact CB-CD1 3.92Å; L83-I115 HydrophobicContact CD1-CD1 3.97Å; L83-I115 HydrophobicContact CD1-CG2 4.27Å; I84-I115 HydrophobicContact CD1-CD1 3.92Å; I84-I115 HydrophobicContact CD1-CG1 4.04Å; I84-I115 HydrophobicContact CG1-CG1 4.27Å; F95-I115 HydrophobicContact CB-CD1 3.71Å; F95-I115 HydrophobicContact CD2-CD1 3.56Å; F95-I115 HydrophobicContact CE2-CD1 4.46Å; F95-I115 HydrophobicContact CG-CD1 3.85Å; V97-I115 HydrophobicContact CG2-CG2 4.08Å; N108-I115 HydrophobicContact CB-CG2 3.92Å; E111-I115 HydrophobicContact CB-CB 4.34Å; E111-I115 HydrophobicContact CB-CG1 4.1Å; E111-I115 HydrophobicContact CG-CB 4.14Å; E111-I115 HydrophobicContact CG-CG1 3.7Å; I115-I117 HydrophobicContact CG2-CG1 4.06Å
116R98.1Very high94.6Very high48 Ų4851 Ų5118%0.18127%0.273CS..EExtended strand (participates in β ladder)trans-125.6107.5179.7-64.9-177.7-174.4-159.94.4109.8M1 V3 D9 I94 F95 F96 V97M1-R116 HydrophobicContact CB-CG 4.43Å; M1-R116 CarbonylContact O-C 3.58Å; M1-R116 WeakPolarHBondContact O-CA 3.33Å; M1-R116 HydrophobicContact SD-CG 4.41Å; V3-R116 HydrophobicContact CG2-CB 3.83Å; V3-R116 HydrophobicContact CG2-CG 4.35Å; D9-R116 PolarHBondContact O-NH1 2.82Å; D9-R116 VanDerWaalsContact O-NH1 3.16Å; I94-R116 HydrophobicContact CG2-CG 4.38Å; F95-R116 WeakPolarHBondContact O-CB 3.32Å; F95-R116 PolarHBondContact O-N 2.9Å; F96-R116 CarbonylContact C-O 3.58Å; F96-R116 VanDerWaalsContact CA-O 3.26Å; F96-R116 WeakPolarHBondContact CA-O 3.34Å; F96-R116 HydrophobicContact CD1-CB 3.7Å; F96-R116 HydrophobicContact CE1-CB 3.91Å; F96-R116 HydrophobicContact CE1-CG 4.28Å; V97-R116 PolarHBondContact N-O 3.2Å
117I98.4Very high94.4Very high0 Ų051 Ų510%027%0.273CS..EExtended strand (participates in β ladder)trans-97.4120.3-176.1-49.7175.9000108.6M1 L2 V3 V97 L104 N108 V109 I115 I119M1-I117 PolarHBondContact O-N 3.06Å; L2-I117 HydrophobicContact CD2-CB 4.18Å; L2-I117 HydrophobicContact CD2-CD1 4.37Å; V3-I117 PolarHBondContact N-O 2.95Å; V97-I117 HydrophobicContact CB-CB 4.44Å; V97-I117 HydrophobicContact CB-CG1 4.21Å; V97-I117 HydrophobicContact CB-CG2 4.28Å; V97-I117 HydrophobicContact CG1-CG2 4.48Å; V97-I117 HydrophobicContact CG2-CG1 4.4Å; L104-I117 HydrophobicContact CD1-CD1 4.16Å; L104-I117 HydrophobicContact CD1-CG2 4.42Å; L104-I117 HydrophobicContact CD2-CD1 4.49Å; L104-I117 HydrophobicContact CD2-CG2 4.15Å; N108-I117 HydrophobicContact CB-CD1 4.08Å; V109-I117 HydrophobicContact CG2-CD1 4.02Å; I115-I117 HydrophobicContact CG2-CG1 4.06Å; I117-I119 HydrophobicContact CG2-CD1 4.02Å; I117-I119 HydrophobicContact CG2-CG1 3.9Å
118L98.1Very high94.3Very high1 Ų153.3 Ų53.31%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-79.4125.7177.4-82.872.6000109.9V3 F6 F10 F96 V97 I98V3-L118 HydrophobicContact CB-CD1 4.39Å; V3-L118 HydrophobicContact CB-CG 4.38Å; V3-L118 HydrophobicContact CG1-CD1 4.46Å; V3-L118 HydrophobicContact CG1-CG 4.24Å; V3-L118 WeakPolarHBondContact O-CA 3.47Å; F6-L118 HydrophobicContact CD1-CB 4.45Å; F6-L118 HydrophobicContact CD1-CD2 3.93Å; F6-L118 HydrophobicContact CD1-CG 4Å; F6-L118 HydrophobicContact CE1-CB 3.93Å; F6-L118 HydrophobicContact CE1-CD2 4.18Å; F6-L118 HydrophobicContact CE1-CG 3.99Å; F6-L118 HydrophobicContact CG-CD2 4.21Å; F6-L118 HydrophobicContact CZ-CB 4.36Å; F10-L118 HydrophobicContact CB-CD1 4.39Å; F10-L118 HydrophobicContact CB-CD2 4.28Å; F10-L118 HydrophobicContact CD1-CD2 3.76Å; F10-L118 HydrophobicContact CD2-CD1 4.41Å; F10-L118 HydrophobicContact CE1-CD2 4.18Å; F10-L118 HydrophobicContact CG-CD1 4.35Å; F10-L118 HydrophobicContact CG-CD2 3.95Å; F96-L118 HydrophobicContact CB-CD1 4.19Å; F96-L118 HydrophobicContact CD1-CD1 3.95Å; V97-L118 PolarHBondContact O-N 3Å; I98-L118 HydrophobicContact CD1-CD2 4.1Å; I98-L118 HydrophobicContact CG1-CB 4.43Å; I98-L118 HydrophobicContact CG1-CD1 4.32Å; I98-L118 HydrophobicContact CG1-CD2 4.05Å; I98-L118 HydrophobicContact CG1-CG 4.49Å
119I97.2Very high94.2Very high0 Ų055.6 Ų55.60%030%0.297CS..  trans-139.6144.6-175.3-56.4-169.2000109.6L2 V3 F6 L104 I117 I121 E123 V124 L127L2-I119 HydrophobicContact CD1-CD1 4.17Å; L2-I119 HydrophobicContact CD2-CD1 3.57Å; L2-I119 HydrophobicContact CG-CD1 4.28Å; V3-I119 PolarHBondContact O-N 3.17Å; F6-I119 WeakPolarHBondContact CE1-O 3.36Å; F6-I119 WeakPolarHBondContact CZ-O 3.44Å; L104-I119 HydrophobicContact CD1-CD1 3.55Å; I117-I119 HydrophobicContact CG2-CD1 4.02Å; I117-I119 HydrophobicContact CG2-CG1 3.9Å; I119-I121 PolarHBondContact O-N 3.34Å; I119-E123 HydrophobicContact CG2-CB 3.88Å; I119-E123 HydrophobicContact CG2-CG 4.21Å; I119-E123 WeakPolarHBondContact CG2-OE2 3.02Å; I119-V124 HydrophobicContact CG2-CG2 4.46Å; I119-L127 HydrophobicContact CD1-CD1 3.6Å; I119-L127 HydrophobicContact CG2-CD1 4.27Å
120D94.6Very high94.1Very high47 Ų4755.2 Ų55.225%0.25130%0.295SS..  trans-63.6132.9169-165.2-37.8000109.5A122 E123 M190 L195D120-A122 PolarHBondContact O-N 3.15Å; D120-A122 VanDerWaalsContact O-N 3.09Å; D120-A122 PolarHBondContact OD1-N 3.26Å; D120-E123 HydrophobicContact CB-CB 4.44Å; D120-E123 WeakPolarHBondContact O-CB 3.47Å; D120-E123 PolarHBondContact O-N 3.06Å; D120-M190 HydrophobicContact CB-CE 4.37Å; D120-M190 VanDerWaalsContact OD2-CE 3.32Å; D120-M190 WeakPolarHBondContact OD2-CE 3.38Å; D120-L195 HydrophobicContact CB-CD2 3.83Å
121I94Very high93.9Very high125 Ų12557.2 Ų57.264%0.64131%0.313SS*.G310 helixtrans-55.1-31.3178-166164.6000112.6T4 I119 E123T4-I121 HydrophobicContact CG2-CB 4.25Å; T4-I121 HydrophobicContact CG2-CG1 4.43Å; I119-I121 PolarHBondContact O-N 3.34Å; I121-E123 PolarHBondContact O-N 3.39Å
122A91.4Very high93.8Very high76 Ų7659.8 Ų59.863%0.62832%0.321SS*.G310 helixtrans-71.6-16.2177.900000113.8D120D120-A122 PolarHBondContact O-N 3.15Å; D120-A122 VanDerWaalsContact O-N 3.09Å; D120-A122 PolarHBondContact OD1-N 3.26Å
123E92.6Very high93.8Very high16 Ų1662.4 Ų62.48%0.07533%0.325CS..G310 helixtrans-89.7-21.8-179.5-175.2179.7-165.800112.6R102 I119 D120 I121 D125 D126 L127 S189R102-E123 IonicContact CZ-OE1 2.78Å; R102-E123 IonicContact CZ-OE2 3.89Å; R102-E123 IonicContact NE-OE1 2.83Å; R102-E123 PolarHBondContact NE-OE1 3.1Å; R102-E123 IonicContact NE-OE2 3.96Å; R102-E123 IonicContact NH2-OE1 2.92Å; R102-E123 PolarHBondContact NH2-OE1 3.5Å; R102-E123 IonicContact NH2-OE2 3.16Å; R102-E123 PolarHBondContact NH2-OE2 3.48Å; I119-E123 HydrophobicContact CG2-CB 3.88Å; I119-E123 HydrophobicContact CG2-CG 4.21Å; I119-E123 WeakPolarHBondContact CG2-OE2 3.02Å; D120-E123 HydrophobicContact CB-CB 4.44Å; D120-E123 WeakPolarHBondContact O-CB 3.47Å; D120-E123 PolarHBondContact O-N 3.06Å; I121-E123 PolarHBondContact O-N 3.39Å; E123-D125 VanDerWaalsContact C-N 3.34Å; E123-D125 PolarHBondContact O-N 2.92Å; E123-D126 WeakPolarHBondContact O-CB 3.09Å; E123-D126 PolarHBondContact O-N 3.22Å; E123-L127 HydrophobicContact CG-CD2 3.86Å; E123-L127 HydrophobicContact CG-CG 4.14Å; E123-L127 WeakPolarHBondContact O-CG 3.47Å; E123-L127 PolarHBondContact O-N 3.37Å; E123-S189 WeakPolarHBondContact OE1-CB 3.37Å; E123-S189 WeakPolarHBondContact OE2-CB 3.35Å
124V93.7Very high93.6Very high49 Ų4955.7 Ų55.730%0.29730%0.299SS..G310 helixtrans-53.9-46.7-167.41770000112.9T4 I119 D126 L127T4-V124 HydrophobicContact CG2-CG2 3.81Å; I119-V124 HydrophobicContact CG2-CG2 4.46Å; V124-D126 VanDerWaalsContact C-N 3.31Å; V124-D126 PolarHBondContact O-N 3.02Å; V124-L127 PolarHBondContact O-N 2.93Å
125D91Very high93.1Very high146 Ų14654.7 Ų54.778%0.78130%0.295SS*.G310 helixtrans-70.6-28.1-178.8-64.3-29.1000112.3E123 L127E123-D125 VanDerWaalsContact C-N 3.34Å; E123-D125 PolarHBondContact O-N 2.92Å; D125-L127 VanDerWaalsContact C-N 3.33Å; D125-L127 PolarHBondContact O-N 2.83Å
126D90.5Very high92.4Very high97 Ų9756.2 Ų56.252%0.51931%0.305SS..G310 helixtrans-82.3-8.3-178.8-72.9-16.7000113.3E123 V124 N128E123-D126 WeakPolarHBondContact O-CB 3.09Å; E123-D126 PolarHBondContact O-N 3.22Å; V124-D126 VanDerWaalsContact C-N 3.31Å; V124-D126 PolarHBondContact O-N 3.02Å; D126-N128 PolarHBondContact O-N 3.3Å; D126-N128 PolarHBondContact O-ND2 2.92Å
127L93.2Very high91.3Very high5 Ų556.4 Ų56.43%0.02631%0.309CS..G310 helixtrans-70.4-20.6-180-67.2170.9000112.9L2 L104 I119 E123 V124 D125 I129 Y182L2-L127 HydrophobicContact CD1-CD1 3.96Å; L104-L127 HydrophobicContact CD1-CD1 4.17Å; L104-L127 HydrophobicContact CD1-CD2 4.42Å; I119-L127 HydrophobicContact CD1-CD1 3.6Å; I119-L127 HydrophobicContact CG2-CD1 4.27Å; E123-L127 HydrophobicContact CG-CD2 3.86Å; E123-L127 HydrophobicContact CG-CG 4.14Å; E123-L127 WeakPolarHBondContact O-CG 3.47Å; E123-L127 PolarHBondContact O-N 3.37Å; V124-L127 PolarHBondContact O-N 2.93Å; D125-L127 VanDerWaalsContact C-N 3.33Å; D125-L127 PolarHBondContact O-N 2.83Å; L127-I129 HydrophobicContact CB-CD1 3.85Å; L127-I129 HydrophobicContact CB-CG1 3.77Å; L127-I129 HydrophobicContact CD1-CD1 3.77Å; L127-I129 HydrophobicContact CG-CD1 4.46Å; L127-I129 PolarHBondContact O-N 2.87Å; L127-Y182 WeakPolarHBondContact O-CE2 3.19Å
128N92.3Very high89.7Confident129 Ų12961.1 Ų61.169%0.6933%0.334SS*.  trans50.738.7-179.8-63.1-72.7000113.4D126 P130 Y182D126-N128 PolarHBondContact O-N 3.3Å; D126-N128 PolarHBondContact O-ND2 2.92Å; N128-P130 WeakPolarHBondContact O-CD 3.3Å; N128-Y182 WeakPolarHBondContact O-CD2 3.25Å
129I94.4Very high87.8Confident47 Ų4765.3 Ų65.324%0.24136%0.364CS..PPolyproline II helixtrans-66.6122.8-178.8-65.4164.9000109.3L2 L106 V109 Y110 L127 Y182L2-I129 HydrophobicContact CD1-CD1 3.83Å; L106-I129 HydrophobicContact CD2-CG2 4Å; V109-I129 HydrophobicContact CG1-CD1 4Å; V109-I129 HydrophobicContact CG1-CG2 3.91Å; V109-I129 HydrophobicContact CG2-CD1 4.48Å; Y110-I129 HydrophobicContact CE1-CG2 4.25Å; L127-I129 HydrophobicContact CB-CD1 3.85Å; L127-I129 HydrophobicContact CB-CG1 3.77Å; L127-I129 HydrophobicContact CD1-CD1 3.77Å; L127-I129 HydrophobicContact CG-CD1 4.46Å; L127-I129 PolarHBondContact O-N 2.87Å; I129-Y182 HydrophobicContact CG1-CE2 4.35Å
130P94.2Very high85.6Confident11 Ų1171.5 Ų71.57%0.07140%0.397CS..PPolyproline II helixtrans-61.6141.7173.8-23.735.2000111.8L106 Y110 N128 V135 Y182L106-P130 HydrophobicContact CD1-CG 4.37Å; Y110-P130 WeakPolarHBondContact CE1-O 3.26Å; Y110-P130 PolarHBondContact OH-O 3.39Å; N128-P130 WeakPolarHBondContact O-CD 3.3Å; P130-V135 HydrophobicContact CB-CG2 3.7Å; P130-V135 HydrophobicContact CG-CG2 4.48Å; P130-Y182 HydrophobicContact CG-CD2 4.34Å; P130-Y182 HydrophobicContact CG-CG 4.23Å
131P91.1Very high83.7Confident83 Ų8373.8 Ų73.854%0.53941%0.409SS..PPolyproline II helixtrans-57.4145173.5-24.133.6000112.3E133 S134P131-E133 VanDerWaalsContact C-N 3.29Å; P131-E133 PolarHBondContact O-N 3.36Å; P131-S134 WeakPolarHBondContact O-CB 3.45Å; P131-S134 PolarHBondContact O-N 3.26Å; P131-S134 PolarHBondContact O-OG 3.32Å
132Y89.5Confident81.6Confident102 Ų10274.3 Ų74.340%0.441%0.409SS..G310 helixtrans-54.5-46-177.7178-99.2000111.8Y110 S134 V135 C136Y110-Y132 AromaticContact CD1-CD2 3.99Å; Y110-Y132 HydrophobicContact CD1-CD2 3.99Å; Y110-Y132 AromaticContact CD2-CD2 3.84Å; Y110-Y132 HydrophobicContact CD2-CD2 3.84Å; Y110-Y132 HydrophobicContact CD2-CE2 4.33Å; Y110-Y132 HydrophobicContact CE2-CD2 4.39Å; Y110-Y132 AromaticContact CG-CD2 3.63Å; Y110-Y132 HydrophobicContact CG-CD2 3.63Å; Y110-Y132 HydrophobicContact CG-CE2 4.27Å; Y132-S134 PolarHBondContact O-N 2.59Å; Y132-S134 VanDerWaalsContact O-N 3.11Å; Y132-V135 PolarHBondContact O-N 3.09Å; Y132-C136 HydrophobicContact CD1-CB 4.25Å; Y132-C136 HydrophobicContact CD2-CB 4.01Å; Y132-C136 HydrophobicContact CE1-CB 3.81Å; Y132-C136 HydrophobicContact CE2-CB 3.55Å; Y132-C136 WeakPolarHBondContact CE2-SG 3.13Å; Y132-C136 HydrophobicContact CG-CB 4.34Å; Y132-C136 VanDerWaalsContact CZ-CB 3.44Å; Y132-C136 PolarHBondContact O-N 3.31Å
133E87.8Confident79.6Confident134 Ų13478.6 Ų78.663%0.62642%0.416SS*.G310 helixtrans-67.4-14.9-176.8-52.577-168.800112.9P131 W171P131-E133 VanDerWaalsContact C-N 3.29Å; P131-E133 PolarHBondContact O-N 3.36Å; E133-W171 PolarHBondContact O-NE1 3.18Å
134S88.1Confident77.5Confident24 Ų2484.4 Ų84.417%0.16845%0.448CS..G310 helixtrans-89.6-11.4175.873.10000113.6P131 Y132P131-S134 WeakPolarHBondContact O-CB 3.45Å; P131-S134 PolarHBondContact O-N 3.26Å; P131-S134 PolarHBondContact O-OG 3.32Å; Y132-S134 PolarHBondContact O-N 2.59Å; Y132-S134 VanDerWaalsContact O-N 3.11Å
135V87.1Confident75.3Confident9 Ų986 Ų866%0.05547%0.466CS..THydrogen-bonded Turntrans-122.6-35.1-174179.10000112.1L106 Y110 P130 Y132 R175 L179L106-V135 HydrophobicContact CD1-CG1 4.39Å; L106-V135 HydrophobicContact CD1-CG2 4.48Å; Y110-V135 HydrophobicContact CE2-CB 4.12Å; Y110-V135 HydrophobicContact CE2-CG1 4.07Å; Y110-V135 WeakPolarHBondContact OH-CG2 3.33Å; P130-V135 HydrophobicContact CB-CG2 3.7Å; P130-V135 HydrophobicContact CG-CG2 4.48Å; Y132-V135 PolarHBondContact O-N 3.09Å; V135-R175 VanDerWaalsContact O-CD 3.28Å; V135-R175 WeakPolarHBondContact O-CD 3.49Å; V135-R175 PolarHBondContact O-NE 2.71Å; V135-L179 HydrophobicContact CG1-CD2 3.88Å; V135-L179 HydrophobicContact CG2-CD2 4.42Å
136C83.6Confident73.1Confident31 Ų3182.2 Ų82.221%0.20946%0.461CS..  trans-107.6133.6179.2-64.20000109.3Y132Y132-C136 HydrophobicContact CD1-CB 4.25Å; Y132-C136 HydrophobicContact CD2-CB 4.01Å; Y132-C136 HydrophobicContact CE1-CB 3.81Å; Y132-C136 HydrophobicContact CE2-CB 3.55Å; Y132-C136 WeakPolarHBondContact CE2-SG 3.13Å; Y132-C136 HydrophobicContact CG-CB 4.34Å; Y132-C136 VanDerWaalsContact CZ-CB 3.44Å; Y132-C136 PolarHBondContact O-N 3.31Å
137L75Confident70.9Confident52 Ų5280.8 Ų80.827%0.27246%0.459SS..  trans-83.1142.8166.7-69.9170.8000108.4W171L137-W171 HydrophobicContact CB-CH2 4.42Å; L137-W171 HydrophobicContact CD1-CE3 4.35Å; L137-W171 HydrophobicContact CD1-CH2 4.22Å; L137-W171 HydrophobicContact CD1-CZ3 3.82Å; L137-W171 HydrophobicContact CD2-CD2 3.84Å; L137-W171 HydrophobicContact CD2-CE3 3.75Å; L137-W171 HydrophobicContact CD2-CH2 3.57Å; L137-W171 HydrophobicContact CD2-CZ2 3.65Å; L137-W171 HydrophobicContact CD2-CZ3 3.62Å; L137-W171 HydrophobicContact CG-CE3 4.11Å; L137-W171 HydrophobicContact CG-CH2 3.39Å; L137-W171 HydrophobicContact CG-CZ2 3.94Å; L137-W171 HydrophobicContact CG-CZ3 3.48Å; L137-W171 VanDerWaalsContact CG-CZ3 3.48Å
138D64.2Low69Low99 Ų9987.6 Ų87.653%0.52950%0.496SS..  trans-69.6140.4167.3-72.1-32.7000108.6D140 D141D138-D140 PolarHBondContact O-N 2.95Å; D138-D141 PolarHBondContact O-N 3.43Å
139S57.6Low67Low90 Ų9087.5 Ų87.563%0.62950%0.495SS*.G310 helixtrans-55.4-25.5-176.249.60000113.7D141 E142S139-D141 PolarHBondContact O-N 3.47Å; S139-E142 PolarHBondContact O-N 3.2Å; S139-E142 VanDerWaalsContact O-N 3.14Å
140D53Low65Low129 Ų12990 Ų9069%0.6951%0.509SS*.G310 helixtrans-63.7-25.3-179.8-63.6-9.4000111.9D138D138-D140 PolarHBondContact O-N 2.95Å
141D52.8Low63.2Low95 Ų9596.1 Ų96.151%0.50854%0.539SS..G310 helixtrans-82.6-13.8177.7-69.8-33.4000113.5D138 S139D138-D141 PolarHBondContact O-N 3.43Å; S139-D141 PolarHBondContact O-N 3.47Å
142E51.4Low61.6Low136 Ų13699.7 Ų99.764%0.63655%0.553SS**THydrogen-bonded Turntrans-82.1-31.3178.7-70.9-153.6176.500112.9S139 D144 A145S139-E142 PolarHBondContact O-N 3.2Å; S139-E142 VanDerWaalsContact O-N 3.14Å; E142-D144 VanDerWaalsContact C-N 3.3Å; E142-D144 PolarHBondContact O-N 3.01Å; E142-A145 PolarHBondContact O-N 3.31Å
143E48.3Very low60Low167 Ų16795.6 Ų95.678%0.7854%0.54SS*.G310 helixtrans-68.7-26-175.8-67.6-164.4171.300113.3A145E143-A145 VanDerWaalsContact C-N 3.28Å; E143-A145 PolarHBondContact O-N 2.92Å
144D48.2Very low58.8Low137 Ų13791.4 Ų91.473%0.73353%0.526SS*.G310 helixtrans-73.3-14.6-177.4-88.8-19.1000114.1E142E142-D144 VanDerWaalsContact C-N 3.3Å; E142-D144 PolarHBondContact O-N 3.01Å
145A48.5Very low57.2Low83 Ų8395.3 Ų95.369%0.68655%0.551SS**G310 helixtrans-84.1-14-17400000114.7E142 E143E142-A145 PolarHBondContact O-N 3.31Å; E143-A145 VanDerWaalsContact C-N 3.28Å; E143-A145 PolarHBondContact O-N 2.92Å
146G45.3Very low55.7Low66 Ų6698.3 Ų98.368%0.6858%0.576SS**SBendtrans-109.1-1.2-172.200000115.9D148G146-D148 PolarHBondContact O-N 3.41Å
147S44.1Very low54.3Low67 Ų67102 Ų10247%0.46959%0.59SS.*  trans-78.4112.4-177.2-175.70000111.4D149S147-D149 PolarHBondContact O-N 3.36Å
148D52.2Low53.2Low149 Ų149104.3 Ų104.380%0.79760%0.598SS**G310 helixtrans-59.8-3.9175.8-84.3-27.4000114.3G146 D150G146-D148 PolarHBondContact O-N 3.41Å; D148-D150 PolarHBondContact O-N 3.25Å
149D51.8Low52.6Low126 Ų126108.4 Ų108.467%0.67461%0.606SS**G310 helixtrans-70.7-6.9-179.7-80-26.2000114.3S147 I151 L152S147-D149 PolarHBondContact O-N 3.36Å; D149-I151 PolarHBondContact O-N 3.45Å; D149-I151 VanDerWaalsContact O-N 3.12Å; D149-L152 PolarHBondContact O-N 2.85Å
150D51.9Low52.4Low99 Ų99107.5 Ų107.553%0.52960%0.6SS.*G310 helixtrans-65.3-17.3-177.9-120.63.3000114.1D148 L152 A153D148-D150 PolarHBondContact O-N 3.25Å; D150-L152 VanDerWaalsContact C-N 3.27Å; D150-L152 PolarHBondContact O-N 3.42Å; D150-A153 WeakPolarHBondContact O-CB 3.46Å; D150-A153 PolarHBondContact O-N 2.83Å
151I56Low52.4Low140 Ų140102.8 Ų102.872%0.71858%0.579SS**G310 helixtrans-64.8-34.2177.5-58.5179.3000110.9D149D149-I151 PolarHBondContact O-N 3.45Å; D149-I151 VanDerWaalsContact O-N 3.12Å
152L57.4Low52.5Low159 Ų159106 Ų10683%0.83259%0.588SS**G310 helixtrans-95.11.1-177.9-64177.8000113.9D149 D150D149-L152 PolarHBondContact O-N 2.85Å; D150-L152 VanDerWaalsContact C-N 3.27Å; D150-L152 PolarHBondContact O-N 3.42Å
153A56.9Low52.5Low15 Ų15105.5 Ų105.512%0.12459%0.586CS.*  trans-63.9135.9-178.200000113D150 Q157 K158D150-A153 WeakPolarHBondContact O-CB 3.46Å; D150-A153 PolarHBondContact O-N 2.83Å; A153-Q157 HydrophobicContact CB-CB 3.88Å; A153-K158 HydrophobicContact CB-CG 4.15Å; A153-K158 WeakPolarHBondContact O-CE 3.47Å
154S61.6Low53.5Low47 Ų47101.2 Ų101.233%0.32957%0.574SS.*  trans-61.3158.9175.266.10000112A156 Q157 K158S154-A156 PolarHBondContact O-N 3.16Å; S154-A156 VanDerWaalsContact O-N 3.12Å; S154-Q157 CarbonylContact O-C 3.6Å; S154-Q157 PolarHBondContact O-N 2.7Å; S154-Q157 PolarHBondContact OG-N 3.28Å; S154-Q157 PolarHBondContact OG-OE1 2.84Å; S154-K158 PolarHBondContact O-N 2.68Å
155P55.2Low54.8Low105 Ų10598.5 Ų98.568%0.68256%0.563SS**Hα-helixtrans-57.4-28.3176-24.333.3000113.9R159P155-R159 WeakPolarHBondContact O-CB 3.38Å; P155-R159 WeakPolarHBondContact O-CG 3.39Å; P155-R159 PolarHBondContact O-N 3.34Å
156A55.3Low56.3Low72 Ų7297.1 Ų97.160%0.59555%0.551SS**Hα-helixtrans-69.8-45174.100000111.3S154 R159 S160S154-A156 PolarHBondContact O-N 3.16Å; S154-A156 VanDerWaalsContact O-N 3.12Å; A156-R159 PolarHBondContact O-N 2.96Å; A156-S160 PolarHBondContact O-N 2.81Å
157Q54.4Low58Low108 Ų10898.9 Ų98.951%0.50555%0.545SS..Hα-helixtrans-64.8-39.8173.4-77.3164.7-48.200112A153 S154 R159 S160 A161A153-Q157 HydrophobicContact CB-CB 3.88Å; S154-Q157 CarbonylContact O-C 3.6Å; S154-Q157 PolarHBondContact O-N 2.7Å; S154-Q157 PolarHBondContact OG-N 3.28Å; S154-Q157 PolarHBondContact OG-OE1 2.84Å; Q157-R159 VanDerWaalsContact C-N 3.28Å; Q157-R159 PolarHBondContact O-N 3.17Å; Q157-S160 WeakPolarHBondContact CA-OG 3.4Å; Q157-S160 PolarHBondContact O-N 2.76Å; Q157-S160 PolarHBondContact O-OG 3.24Å; Q157-A161 WeakPolarHBondContact O-CB 3.26Å; Q157-A161 PolarHBondContact O-N 3.03Å
158K52.3Low59.9Low101 Ų10199.2 Ų99.244%0.43954%0.538SS..Hα-helixtrans-64.7-31.4174.1-73.2-178178.51740112.9A153 S154 K162A153-K158 HydrophobicContact CB-CG 4.15Å; A153-K158 WeakPolarHBondContact O-CE 3.47Å; S154-K158 PolarHBondContact O-N 2.68Å; K158-K162 WeakPolarHBondContact O-CB 3.39Å; K158-K162 WeakPolarHBondContact O-CG 3.27Å; K158-K162 PolarHBondContact O-N 2.84Å
159R51.2Low61.4Low186 Ų18696.2 Ų96.270%0.70252%0.521SS*.Hα-helixtrans-73-43172.7-78.5179.1-177.9-174.71.1111.5P155 A156 Q157 K162 H163P155-R159 WeakPolarHBondContact O-CB 3.38Å; P155-R159 WeakPolarHBondContact O-CG 3.39Å; P155-R159 PolarHBondContact O-N 3.34Å; A156-R159 PolarHBondContact O-N 2.96Å; Q157-R159 VanDerWaalsContact C-N 3.28Å; Q157-R159 PolarHBondContact O-N 3.17Å; R159-K162 PolarHBondContact O-N 3.45Å; R159-H163 PolarHBondContact O-CD2 2.78Å; R159-H163 PolarHBondContact O-N 2.91Å
160S52.5Low63.1Low70 Ų7092.9 Ų92.949%0.4951%0.511SS..Hα-helixtrans-66.3-42.217665.20000111.8A156 Q157 K162 H163 S164A156-S160 PolarHBondContact O-N 2.81Å; Q157-S160 WeakPolarHBondContact CA-OG 3.4Å; Q157-S160 PolarHBondContact O-N 2.76Å; Q157-S160 PolarHBondContact O-OG 3.24Å; S160-K162 PolarHBondContact O-N 3.2Å; S160-H163 PolarHBondContact O-N 2.91Å; S160-H163 VanDerWaalsContact O-N 3.17Å; S160-S164 WeakPolarHBondContact O-CB 3.46Å; S160-S164 PolarHBondContact O-N 3.46Å
161A53.6Low64.8Low30 Ų3091.2 Ų91.225%0.24850%0.497CS..Hα-helixtrans-60.2-44.1173.700000111.1Q157 H163 S164 T165Q157-A161 WeakPolarHBondContact O-CB 3.26Å; Q157-A161 PolarHBondContact O-N 3.03Å; A161-H163 PolarHBondContact O-N 3.36Å; A161-S164 CarbonylContact O-C 3.6Å; A161-S164 WeakPolarHBondContact O-CB 3.22Å; A161-S164 PolarHBondContact O-N 2.95Å; A161-T165 PolarHBondContact O-N 3.3Å; A161-T165 PolarHBondContact O-OG1 2.79Å
162K54.7Low66.3Low162 Ų16288.3 Ų88.370%0.70448%0.481SS*.Hα-helixtrans-60.9-40.4172.8-88-173.5175.6-173.30113.6K158 R159 S160 T165 A166K158-K162 WeakPolarHBondContact O-CB 3.39Å; K158-K162 WeakPolarHBondContact O-CG 3.27Å; K158-K162 PolarHBondContact O-N 2.84Å; R159-K162 PolarHBondContact O-N 3.45Å; S160-K162 PolarHBondContact O-N 3.2Å; K162-T165 PolarHBondContact O-N 3Å; K162-A166 WeakPolarHBondContact O-CB 3.12Å; K162-A166 PolarHBondContact O-N 3.37Å
163H51.6Low67.9Low127 Ų12784.9 Ų84.959%0.58846%0.464SS*.Hα-helixtrans-63.1-45.2173.8-85.9-71.5000110.3R159 S160 A161 T165 A166 D167R159-H163 PolarHBondContact O-CD2 2.78Å; R159-H163 PolarHBondContact O-N 2.91Å; S160-H163 PolarHBondContact O-N 2.91Å; S160-H163 VanDerWaalsContact O-N 3.17Å; A161-H163 PolarHBondContact O-N 3.36Å; H163-T165 PolarHBondContact O-N 3.47Å; H163-A166 PolarHBondContact O-N 2.75Å; H163-D167 WeakPolarHBondContact O-CB 3.4Å; H163-D167 PolarHBondContact O-N 3.49Å
164S69.1Low69.5Low77 Ų7790.7 Ų90.754%0.53849%0.486SS..Hα-helixtrans-57.9-42.9174.8-158.80000112.8S160 A161 K168S160-S164 WeakPolarHBondContact O-CB 3.46Å; S160-S164 PolarHBondContact O-N 3.46Å; A161-S164 CarbonylContact O-C 3.6Å; A161-S164 WeakPolarHBondContact O-CB 3.22Å; A161-S164 PolarHBondContact O-N 2.95Å; S164-K168 WeakPolarHBondContact O-CB 3.32Å; S164-K168 PolarHBondContact O-N 3.43Å
165T75.7Confident71Confident80 Ų8092.2 Ų92.249%0.49149%0.485SS..Hα-helixtrans-67.8-41.6176.6-43.70000111.7A161 K162 H163 K168 I169A161-T165 PolarHBondContact O-N 3.3Å; A161-T165 PolarHBondContact O-OG1 2.79Å; K162-T165 PolarHBondContact O-N 3Å; H163-T165 PolarHBondContact O-N 3.47Å; T165-K168 PolarHBondContact O-N 2.8Å; T165-I169 HydrophobicContact CG2-CD1 4.13Å; T165-I169 VanDerWaalsContact O-CG1 3.27Å; T165-I169 WeakPolarHBondContact O-CG1 3.41Å; T165-I169 PolarHBondContact O-N 3.01Å
166A79.7Confident72.7Confident53 Ų5390.6 Ų90.644%0.43847%0.47SS..Hα-helixtrans-65.4-40.9178.100000111.7K162 H163 I169 A170K162-A166 WeakPolarHBondContact O-CB 3.12Å; K162-A166 PolarHBondContact O-N 3.37Å; H163-A166 PolarHBondContact O-N 2.75Å; A166-I169 PolarHBondContact O-N 2.79Å; A166-A170 WeakPolarHBondContact O-CB 3.42Å; A166-A170 PolarHBondContact O-N 3.17Å
167D81.2Confident74.4Confident103 Ų10393.5 Ų93.555%0.55147%0.471SS*.Hα-helixtrans-65.8-40.4176-66-26.3000110.7H163 A170 W171H163-D167 WeakPolarHBondContact O-CB 3.4Å; H163-D167 PolarHBondContact O-N 3.49Å; D167-A170 PolarHBondContact O-N 3Å; D167-W171 WeakPolarHBondContact O-CB 3.32Å; D167-W171 PolarHBondContact O-N 3.19Å
168K83Confident76.2Confident74 Ų7491.1 Ų91.132%0.32246%0.462SS..Hα-helixtrans-60.9-47.8172.7-176171.2-177.4166.40112.2S164 T165 A170 W171 E172S164-K168 WeakPolarHBondContact O-CB 3.32Å; S164-K168 PolarHBondContact O-N 3.43Å; T165-K168 PolarHBondContact O-N 2.8Å; K168-A170 VanDerWaalsContact C-N 3.31Å; K168-A170 PolarHBondContact O-N 2.98Å; K168-W171 PolarHBondContact O-N 3.05Å; K168-E172 WeakPolarHBondContact CE-OE1 3.3Å; K168-E172 WeakPolarHBondContact O-CB 3.31Å; K168-E172 WeakPolarHBondContact O-CG 3.35Å; K168-E172 PolarHBondContact O-N 2.6Å
169I84.9Confident78.1Confident86 Ų8687.8 Ų87.844%0.44145%0.448SS..Hα-helixtrans-61.2-41.9176.3-68.4164.5000110.7T165 A166 W171 E172 N173T165-I169 HydrophobicContact CG2-CD1 4.13Å; T165-I169 VanDerWaalsContact O-CG1 3.27Å; T165-I169 WeakPolarHBondContact O-CG1 3.41Å; T165-I169 PolarHBondContact O-N 3.01Å; A166-I169 PolarHBondContact O-N 2.79Å; I169-W171 VanDerWaalsContact C-N 3.35Å; I169-E172 PolarHBondContact O-N 2.81Å; I169-N173 WeakPolarHBondContact O-CB 3.49Å; I169-N173 VanDerWaalsContact O-CG 3.25Å; I169-N173 PolarHBondContact O-N 2.74Å; I169-N173 PolarHBondContact O-ND2 3.34Å
170A87.5Confident79.9Confident57 Ų5782.7 Ų82.747%0.47144%0.435SS..Hα-helixtrans-64.2-40.9177.300000111.8A166 D167 K168 K174A166-A170 WeakPolarHBondContact O-CB 3.42Å; A166-A170 PolarHBondContact O-N 3.17Å; D167-A170 PolarHBondContact O-N 3Å; K168-A170 VanDerWaalsContact C-N 3.31Å; K168-A170 PolarHBondContact O-N 2.98Å; A170-K174 WeakPolarHBondContact O-CB 3.41Å; A170-K174 PolarHBondContact O-N 2.78Å
171W86.2Confident81.8Confident63 Ų6383 Ų8324%0.23944%0.437CS..Hα-helixtrans-64.2-46.3174.6-177.398000111.6E133 L137 D167 K168 I169 N173 K174 R175E133-W171 PolarHBondContact O-NE1 3.18Å; L137-W171 HydrophobicContact CB-CH2 4.42Å; L137-W171 HydrophobicContact CD1-CE3 4.35Å; L137-W171 HydrophobicContact CD1-CH2 4.22Å; L137-W171 HydrophobicContact CD1-CZ3 3.82Å; L137-W171 HydrophobicContact CD2-CD2 3.84Å; L137-W171 HydrophobicContact CD2-CE3 3.75Å; L137-W171 HydrophobicContact CD2-CH2 3.57Å; L137-W171 HydrophobicContact CD2-CZ2 3.65Å; L137-W171 HydrophobicContact CD2-CZ3 3.62Å; L137-W171 HydrophobicContact CG-CE3 4.11Å; L137-W171 HydrophobicContact CG-CH2 3.39Å; L137-W171 HydrophobicContact CG-CZ2 3.94Å; L137-W171 HydrophobicContact CG-CZ3 3.48Å; L137-W171 VanDerWaalsContact CG-CZ3 3.48Å; D167-W171 WeakPolarHBondContact O-CB 3.32Å; D167-W171 PolarHBondContact O-N 3.19Å; K168-W171 PolarHBondContact O-N 3.05Å; I169-W171 VanDerWaalsContact C-N 3.35Å; W171-N173 VanDerWaalsContact C-N 3.33Å; W171-N173 PolarHBondContact O-N 3.39Å; W171-K174 PolarHBondContact O-N 3.26Å; W171-R175 HydrophobicContact CE3-CB 4.38Å; W171-R175 HydrophobicContact CH2-CB 4.39Å; W171-R175 HydrophobicContact CH2-CG 4.38Å; W171-R175 HydrophobicContact CZ3-CB 4.24Å; W171-R175 VanDerWaalsContact CZ3-CD 3.4Å; W171-R175 HydrophobicContact CZ3-CG 4.45Å; W171-R175 WeakPolarHBondContact O-CB 3.22Å; W171-R175 PolarHBondContact O-N 2.67Å
172E88.8Confident83.7Confident79 Ų7982.8 Ų82.837%0.36943%0.43SS..Hα-helixtrans-59.4-43.1177.4-76174.2-176.600111.7K168 I169 R175 N176K168-E172 WeakPolarHBondContact CE-OE1 3.3Å; K168-E172 WeakPolarHBondContact O-CB 3.31Å; K168-E172 WeakPolarHBondContact O-CG 3.35Å; K168-E172 PolarHBondContact O-N 2.6Å; I169-E172 PolarHBondContact O-N 2.81Å; E172-R175 PolarHBondContact O-N 2.96Å; E172-N176 WeakPolarHBondContact O-CB 3.23Å; E172-N176 PolarHBondContact O-N 2.87Å; E172-N176 PolarHBondContact O-ND2 2.86Å
173N90.9Very high85.5Confident88 Ų8877.8 Ų77.847%0.47141%0.407SS..Hα-helixtrans-62.1-47.2175.4-72.8-29.1000111.5I169 W171 R175 N176 E177I169-N173 WeakPolarHBondContact O-CB 3.49Å; I169-N173 VanDerWaalsContact O-CG 3.25Å; I169-N173 PolarHBondContact O-N 2.74Å; I169-N173 PolarHBondContact O-ND2 3.34Å; W171-N173 VanDerWaalsContact C-N 3.33Å; W171-N173 PolarHBondContact O-N 3.39Å; N173-R175 PolarHBondContact O-N 3.04Å; N173-N176 PolarHBondContact O-N 3.28Å; N173-E177 WeakPolarHBondContact O-CG 3.3Å; N173-E177 PolarHBondContact O-N 3.27Å
174K91.1Very high87.3Confident136 Ų13675.9 Ų75.959%0.59140%0.398SS*.Hα-helixtrans-62.8-42.1178.1-173.9179.6-179.7-175.80112.1A170 W171 E177 L178A170-K174 WeakPolarHBondContact O-CB 3.41Å; A170-K174 PolarHBondContact O-N 2.78Å; W171-K174 PolarHBondContact O-N 3.26Å; K174-E177 PolarHBondContact O-N 2.94Å; K174-L178 HydrophobicContact CG-CD1 4.48Å; K174-L178 WeakPolarHBondContact O-CG 3.47Å; K174-L178 PolarHBondContact O-N 2.57Å
175R92.4Very high88.3Confident80 Ų8075.3 Ų75.330%0.30239%0.386SS..Hα-helixtrans-58.2-48.5173.9169.6-179.3179.3-80.42.4110.9V135 W171 E172 N173 E177 L178 L179V135-R175 VanDerWaalsContact O-CD 3.28Å; V135-R175 WeakPolarHBondContact O-CD 3.49Å; V135-R175 PolarHBondContact O-NE 2.71Å; W171-R175 HydrophobicContact CE3-CB 4.38Å; W171-R175 HydrophobicContact CH2-CB 4.39Å; W171-R175 HydrophobicContact CH2-CG 4.38Å; W171-R175 HydrophobicContact CZ3-CB 4.24Å; W171-R175 VanDerWaalsContact CZ3-CD 3.4Å; W171-R175 HydrophobicContact CZ3-CG 4.45Å; W171-R175 WeakPolarHBondContact O-CB 3.22Å; W171-R175 PolarHBondContact O-N 2.67Å; E172-R175 PolarHBondContact O-N 2.96Å; N173-R175 PolarHBondContact O-N 3.04Å; R175-E177 VanDerWaalsContact C-N 3.32Å; R175-E177 PolarHBondContact O-N 3.44Å; R175-L178 PolarHBondContact O-N 2.77Å; R175-L179 HydrophobicContact CG-CD1 3.98Å; R175-L179 HydrophobicContact CG-CG 4.36Å; R175-L179 WeakPolarHBondContact O-CG 3.26Å; R175-L179 PolarHBondContact O-N 3.29Å
176N89.9Confident89.1Confident71 Ų7172.3 Ų72.338%0.3837%0.368SS..Hα-helixtrans-63-40.1-179-71-22.4000111.5E172 N173 L179 I180E172-N176 WeakPolarHBondContact O-CB 3.23Å; E172-N176 PolarHBondContact O-N 2.87Å; E172-N176 PolarHBondContact O-ND2 2.86Å; N173-N176 PolarHBondContact O-N 3.28Å; N176-L179 PolarHBondContact O-N 3.09Å; N176-I180 VanDerWaalsContact O-CB 3.24Å; N176-I180 WeakPolarHBondContact O-CB 3.17Å; N176-I180 WeakPolarHBondContact O-CD1 3.45Å; N176-I180 VanDerWaalsContact O-CG1 3.26Å; N176-I180 WeakPolarHBondContact O-CG1 3.49Å; N176-I180 PolarHBondContact O-N 3.38Å
177E91.6Very high89.7Confident133 Ų13371.2 Ų71.262%0.62135%0.353SS*.Hα-helixtrans-60.4-45.5173-73175.9-179.100112.2N173 K174 R175 I180 S181N173-E177 WeakPolarHBondContact O-CG 3.3Å; N173-E177 PolarHBondContact O-N 3.27Å; K174-E177 PolarHBondContact O-N 2.94Å; R175-E177 VanDerWaalsContact C-N 3.32Å; R175-E177 PolarHBondContact O-N 3.44Å; E177-I180 PolarHBondContact O-N 3.37Å; E177-S181 WeakPolarHBondContact O-CB 3.26Å; E177-S181 PolarHBondContact O-N 3.42Å
178L92.3Very high90.3Very high58 Ų5867.9 Ų67.930%0.30433%0.333SS..Hα-helixtrans-61.9-47.1177.3-73172000112.1K174 R175 I180 S181 Y182K174-L178 HydrophobicContact CG-CD1 4.48Å; K174-L178 WeakPolarHBondContact O-CG 3.47Å; K174-L178 PolarHBondContact O-N 2.57Å; R175-L178 PolarHBondContact O-N 2.77Å; L178-I180 VanDerWaalsContact C-N 3.34Å; L178-I180 PolarHBondContact O-N 2.95Å; L178-S181 PolarHBondContact O-N 3.4Å; L178-Y182 WeakPolarHBondContact O-CB 3.46Å; L178-Y182 PolarHBondContact O-N 2.89Å
179L91.9Very high90.8Very high30 Ų3064.7 Ų64.716%0.15732%0.32CS..Hα-helixtrans-63-42.1177.9-71.1177.9000111.6L106 V135 R175 N176 S181 Y183L106-L179 HydrophobicContact CD1-CD2 3.59Å; V135-L179 HydrophobicContact CG1-CD2 3.88Å; V135-L179 HydrophobicContact CG2-CD2 4.42Å; R175-L179 HydrophobicContact CG-CD1 3.98Å; R175-L179 HydrophobicContact CG-CG 4.36Å; R175-L179 WeakPolarHBondContact O-CG 3.26Å; R175-L179 PolarHBondContact O-N 3.29Å; N176-L179 PolarHBondContact O-N 3.09Å; L179-S181 VanDerWaalsContact C-N 3.32Å; L179-S181 PolarHBondContact O-N 3.31Å; L179-Y183 HydrophobicContact CD2-CD2 4.41Å; L179-Y183 HydrophobicContact CD2-CE2 4.09Å; L179-Y183 WeakPolarHBondContact O-CB 3.46Å; L179-Y183 WeakPolarHBondContact O-CD2 3.31Å; L179-Y183 PolarHBondContact O-N 2.8Å
180I89.8Confident91.3Very high80 Ų8062 Ų6241%0.4131%0.306SS..Hα-helixtrans-59-45.2175.7-83.5167.8000111.1N176 E177 L178 E184N176-I180 VanDerWaalsContact O-CB 3.24Å; N176-I180 WeakPolarHBondContact O-CB 3.17Å; N176-I180 WeakPolarHBondContact O-CD1 3.45Å; N176-I180 VanDerWaalsContact O-CG1 3.26Å; N176-I180 WeakPolarHBondContact O-CG1 3.49Å; N176-I180 PolarHBondContact O-N 3.38Å; E177-I180 PolarHBondContact O-N 3.37Å; L178-I180 VanDerWaalsContact C-N 3.34Å; L178-I180 PolarHBondContact O-N 2.95Å; I180-E184 WeakPolarHBondContact O-CA 3.35Å; I180-E184 WeakPolarHBondContact O-CB 3.16Å; I180-E184 PolarHBondContact O-N 2.87Å; I180-E184 VanDerWaalsContact O-N 3.17Å
181S91.2Very high91.8Very high77 Ų7759.3 Ų59.354%0.53828%0.284SS..Hα-helixtrans-70-44.6-178.8-179.30000112.1E177 L178 L179 E184E177-S181 WeakPolarHBondContact O-CB 3.26Å; E177-S181 PolarHBondContact O-N 3.42Å; L178-S181 PolarHBondContact O-N 3.4Å; L179-S181 VanDerWaalsContact C-N 3.32Å; L179-S181 PolarHBondContact O-N 3.31Å; S181-E184 VanDerWaalsContact O-CB 3.31Å; S181-E184 WeakPolarHBondContact O-CB 3.38Å; S181-E184 PolarHBondContact O-N 3.09Å
182Y94.2Very high92.3Very high25 Ų2556.3 Ų56.310%0.09827%0.272CS..Hα-helixtrans-66-41.5-179.5176.5-101.1000112.4P103 L104 L106 L127 N128 I129 P130 L178 E184P103-Y182 HydrophobicContact CB-CD1 4.27Å; P103-Y182 HydrophobicContact CB-CE1 3.69Å; P103-Y182 HydrophobicContact CB-CE2 4.12Å; P103-Y182 HydrophobicContact CG-CE1 4.35Å; L104-Y182 PolarHBondContact N-OH 3.06Å; L104-Y182 VanDerWaalsContact N-OH 3.09Å; L104-Y182 VanDerWaalsContact O-CE1 3.22Å; L104-Y182 WeakPolarHBondContact O-CE1 2.95Å; L104-Y182 PolarHBondContact O-OH 3.45Å; L106-Y182 HydrophobicContact CD1-CD1 4Å; L106-Y182 HydrophobicContact CD1-CE1 4.13Å; L106-Y182 HydrophobicContact CD2-CD1 4.16Å; L106-Y182 HydrophobicContact CD2-CE1 3.57Å; L106-Y182 HydrophobicContact CD2-CE2 4.4Å; L106-Y182 HydrophobicContact CG-CD1 4.03Å; L106-Y182 HydrophobicContact CG-CE1 3.63Å; L127-Y182 WeakPolarHBondContact O-CE2 3.19Å; N128-Y182 WeakPolarHBondContact O-CD2 3.25Å; I129-Y182 HydrophobicContact CG1-CE2 4.35Å; P130-Y182 HydrophobicContact CG-CD2 4.34Å; P130-Y182 HydrophobicContact CG-CG 4.23Å; L178-Y182 WeakPolarHBondContact O-CB 3.46Å; L178-Y182 PolarHBondContact O-N 2.89Å; Y182-E184 VanDerWaalsContact C-N 3.32Å; Y182-E184 PolarHBondContact O-N 2.87Å
183Y92.3Very high92.8Very high56 Ų5652.6 Ų52.622%0.2226%0.255CS..THydrogen-bonded Turntrans-87.17178.5-71.3-64.2000114.5P103 L104 N105 L106 L179 F185 Q468P103-Y183 HydrophobicContact CB-CD1 4.48Å; P103-Y183 HydrophobicContact CG-CD1 3.57Å; P103-Y183 HydrophobicContact CG-CE1 3.98Å; L104-Y183 PolarHBondContact O-OH 2.99Å; N105-Y183 WeakPolarHBondContact CA-OH 3.17Å; L106-Y183 HydrophobicContact CD1-CE2 4.05Å; L106-Y183 HydrophobicContact CG-CE2 4.28Å; L106-Y183 WeakPolarHBondContact CG-OH 3.36Å; L106-Y183 PolarHBondContact N-OH 3.26Å; L179-Y183 HydrophobicContact CD2-CD2 4.41Å; L179-Y183 HydrophobicContact CD2-CE2 4.09Å; L179-Y183 WeakPolarHBondContact O-CB 3.46Å; L179-Y183 WeakPolarHBondContact O-CD2 3.31Å; L179-Y183 PolarHBondContact O-N 2.8Å; Y183-F185 PolarHBondContact O-N 2.83Å; Y183-Q468 VanDerWaalsContact O-CB 3.23Å; Y183-Q468 WeakPolarHBondContact O-CB 3.18Å; Y183-Q468 WeakPolarHBondContact O-CG 3.29Å
184E90.6Very high93Very high87 Ų8748.6 Ų48.641%0.40723%0.234SC..SBendtrans-60.4-42-172.3-168.8-179.7178.600113.3I180 S181 Y182I180-E184 WeakPolarHBondContact O-CA 3.35Å; I180-E184 WeakPolarHBondContact O-CB 3.16Å; I180-E184 PolarHBondContact O-N 2.87Å; I180-E184 VanDerWaalsContact O-N 3.17Å; S181-E184 VanDerWaalsContact O-CB 3.31Å; S181-E184 WeakPolarHBondContact O-CB 3.38Å; S181-E184 PolarHBondContact O-N 3.09Å; Y182-E184 VanDerWaalsContact C-N 3.32Å; Y182-E184 PolarHBondContact O-N 2.87Å
185F90.3Very high93.2Very high65 Ų6542.2 Ų42.229%0.28521%0.206SC..  trans-131.2137.7-176.3-59.5-77.7000111.5P103 Y183 K463 N464 L465P103-F185 VanDerWaalsContact CD-O 3.32Å; P103-F185 WeakPolarHBondContact CD-O 3.47Å; Y183-F185 PolarHBondContact O-N 2.83Å; F185-K463 HydrophobicContact CB-CB 3.96Å; F185-K463 HydrophobicContact CB-CD 4.05Å; F185-K463 HydrophobicContact CB-CG 4.04Å; F185-K463 HydrophobicContact CD1-CB 4Å; F185-K463 HydrophobicContact CD2-CD 4.21Å; F185-K463 HydrophobicContact CG-CB 4.1Å; F185-K463 HydrophobicContact CG-CD 4.04Å; F185-K463 HydrophobicContact CG-CG 4.39Å; F185-N464 WeakPolarHBondContact CA-O 2.96Å; F185-L465 HydrophobicContact CD1-CB 3.88Å; F185-L465 HydrophobicContact CE1-CB 3.86Å
186S91.6Very high93.4Very high17 Ų1738.5 Ų38.512%0.11919%0.192CC..BIsolated β-bridgetrans-91.3147.6162.661.50000111.9R102 K463 N464R102-S186 CarbonylContact O-C 3.58Å; R102-S186 WeakPolarHBondContact O-CA 3.28Å; R102-S186 WeakPolarHBondContact O-CB 3.42Å; S186-K463 CarbonylContact O-C 3.56Å; S186-K463 WeakPolarHBondContact O-CA 3.45Å; S186-N464 PolarHBondContact N-O 2.95Å; S186-N464 PolarHBondContact O-N 3.1Å; S186-N464 PolarHBondContact OG-O 3.06Å
187Y92Very high93.6Very high31 Ų3135.2 Ų35.212%0.12217%0.174CC..EExtended strand (participates in β ladder)trans-155.9174.3177.862.3-86.2000110.1R102 K461 P462R102-Y187 HydrophobicContact CB-CD1 3.96Å; R102-Y187 HydrophobicContact CB-CD2 3.77Å; R102-Y187 HydrophobicContact CB-CE1 3.64Å; R102-Y187 HydrophobicContact CB-CE2 3.44Å; R102-Y187 VanDerWaalsContact CB-CE2 3.44Å; R102-Y187 HydrophobicContact CB-CG 4.02Å; R102-Y187 WeakPolarHBondContact CB-O 3.32Å; R102-Y187 HydrophobicContact CG-CD2 4.08Å; R102-Y187 HydrophobicContact CG-CE2 3.55Å; R102-Y187 PolarHBondContact N-O 2.95Å; R102-Y187 PolarHBondContact O-N 2.88Å; Y187-K461 HydrophobicContact CD2-CD 3.72Å; Y187-K461 HydrophobicContact CE2-CD 3.97Å; Y187-P462 VanDerWaalsContact CB-O 3.3Å; Y187-P462 WeakPolarHBondContact CB-O 3.26Å
188Y93.2Very high93.7Very high33 Ų3330.5 Ų30.513%0.12916%0.156CC..EExtended strand (participates in β ladder)trans-110.5141.7178.4-60.3-92.2000111.4N100 K101 Q226 E487N100-Y188 CarbonylContact O-C 3.56Å; N100-Y188 WeakPolarHBondContact O-CA 3.34Å; N100-Y188 WeakPolarHBondContact OD1-CD1 3.37Å; K101-Y188 HydrophobicContact CG-CD1 4.21Å; K101-Y188 HydrophobicContact CG-CE1 3.86Å; Y188-Q226 HydrophobicContact CD1-CB 4.3Å; Y188-Q226 HydrophobicContact CD1-CG 4.21Å; Y188-Q226 HydrophobicContact CD2-CB 3.58Å; Y188-Q226 HydrophobicContact CD2-CG 3.84Å; Y188-Q226 HydrophobicContact CE1-CG 4.11Å; Y188-Q226 HydrophobicContact CE2-CB 4.01Å; Y188-Q226 HydrophobicContact CE2-CG 3.73Å; Y188-Q226 HydrophobicContact CG-CB 3.74Å; Y188-Q226 HydrophobicContact CG-CG 4.07Å; Y188-E487 PolarHBondContact OH-OE1 2.77Å; Y188-E487 PolarHBondContact OH-OE2 2.78Å
189S94.2Very high93.7Very high7 Ų727.8 Ų27.85%0.04914%0.142CC..  trans-92.4-166.6166.176.40000110.2N100 R102 E123 Q221N100-S189 WeakPolarHBondContact CA-OG 3.37Å; N100-S189 PolarHBondContact O-N 3.17Å; N100-S189 PolarHBondContact O-OG 2.97Å; R102-S189 PolarHBondContact NH2-OG 3.05Å; E123-S189 WeakPolarHBondContact OE1-CB 3.37Å; E123-S189 WeakPolarHBondContact OE2-CB 3.35Å; S189-Q221 PolarHBondContact O-NE2 3.36Å; S189-Q221 VanDerWaalsContact O-NE2 3.09Å; S189-Q221 PolarHBondContact O-OE1 3.06Å
190M94.4Very high93.6Very high30 Ų3026.4 Ų26.415%0.14814%0.135CC..SBendtrans-62.1141.2178.6-177.5170.363.500111.2N100 D120 S192 M194 L195 W218 K235N100-M190 WeakPolarHBondContact CB-O 3.32Å; D120-M190 HydrophobicContact CB-CE 4.37Å; D120-M190 VanDerWaalsContact OD2-CE 3.32Å; D120-M190 WeakPolarHBondContact OD2-CE 3.38Å; M190-S192 PolarHBondContact O-N 2.64Å; M190-M194 HydrophobicContact CE-CB 4.27Å; M190-M194 HydrophobicContact CG-CB 3.73Å; M190-M194 HydrophobicContact CG-CG 4.41Å; M190-M194 HydrophobicContact SD-CB 3.79Å; M190-L195 HydrophobicContact CE-CD2 3.53Å; M190-L195 HydrophobicContact CE-CG 3.98Å; M190-W218 HydrophobicContact CG-CE3 4.44Å; M190-W218 HydrophobicContact CG-CZ3 4.32Å; M190-K235 VanDerWaalsContact SD-CE 3.51Å
191A98Very high93.6Very high0 Ų025.5 Ų25.50%013%0.126CC..  trans-41.1133.7173.300000112.8D28 S193 M194 L195 W218 Q221D28-A191 WeakPolarHBondContact OD1-CB 3.36Å; A191-S193 PolarHBondContact O-N 3.27Å; A191-M194 HydrophobicContact CB-CB 4.29Å; A191-M194 HydrophobicContact CB-CG 4.07Å; A191-M194 WeakPolarHBondContact O-CA 3.44Å; A191-M194 WeakPolarHBondContact O-CB 2.98Å; A191-M194 PolarHBondContact O-N 3.25Å; A191-L195 PolarHBondContact O-N 2.9Å; A191-L195 VanDerWaalsContact O-N 3.08Å; A191-W218 HydrophobicContact CB-CB 4.49Å; A191-W218 HydrophobicContact CB-CE3 4.05Å; A191-Q221 HydrophobicContact CB-CG 4.1Å
192S98.4Very high93.4Very high0 Ų025.7 Ų25.70%012%0.12CC..Hα-helixtrans-63-34.9-179.3-72.20000111.4D28 N76 I98 M190 M194 L195 V196D28-S192 PolarHBondContact OD1-N 3.16Å; D28-S192 WeakPolarHBondContact OD2-CB 3.43Å; D28-S192 PolarHBondContact OD2-N 3.2Å; N76-S192 VanDerWaalsContact OD1-CB 3.31Å; N76-S192 WeakPolarHBondContact OD1-CB 3.45Å; N76-S192 PolarHBondContact OD1-OG 3.03Å; I98-S192 PolarHBondContact O-OG 2.61Å; M190-S192 PolarHBondContact O-N 2.64Å; S192-M194 VanDerWaalsContact C-N 3.31Å; S192-M194 PolarHBondContact O-N 2.8Å; S192-L195 WeakPolarHBondContact O-CB 3.16Å; S192-L195 PolarHBondContact O-N 3.36Å; S192-V196 WeakPolarHBondContact O-CG2 3.28Å; S192-V196 PolarHBondContact O-N 3.01Å
193S98.2Very high93.1Very high0 Ų026.4 Ų26.40%013%0.126CC..Hα-helixtrans-59.7-38.8171.358.40000112.8D28 I35 A191 V196 Y197 G217D28-S193 WeakPolarHBondContact OD1-CB 3.38Å; D28-S193 PolarHBondContact OD1-N 2.92Å; D28-S193 PolarHBondContact OD1-OG 2.93Å; I35-S193 VanDerWaalsContact CD1-O 3.27Å; I35-S193 WeakPolarHBondContact CD1-O 3.46Å; A191-S193 PolarHBondContact O-N 3.27Å; S193-V196 PolarHBondContact O-N 3.44Å; S193-Y197 VanDerWaalsContact O-CB 3.31Å; S193-Y197 WeakPolarHBondContact O-CB 3.38Å; S193-Y197 PolarHBondContact O-N 2.96Å; S193-G217 WeakPolarHBondContact OG-CA 3.47Å
194M96.1Very high92.5Very high5 Ų528.3 Ų28.33%0.02515%0.147CC..Hα-helixtrans-69.9-36.6175.3-71.6-61.6-48.700112.3M190 A191 S192 Y197 S198 A214 W218 I239M190-M194 HydrophobicContact CE-CB 4.27Å; M190-M194 HydrophobicContact CG-CB 3.73Å; M190-M194 HydrophobicContact CG-CG 4.41Å; M190-M194 HydrophobicContact SD-CB 3.79Å; A191-M194 HydrophobicContact CB-CB 4.29Å; A191-M194 HydrophobicContact CB-CG 4.07Å; A191-M194 WeakPolarHBondContact O-CA 3.44Å; A191-M194 WeakPolarHBondContact O-CB 2.98Å; A191-M194 PolarHBondContact O-N 3.25Å; S192-M194 VanDerWaalsContact C-N 3.31Å; S192-M194 PolarHBondContact O-N 2.8Å; M194-Y197 HydrophobicContact CE-CD1 4.3Å; M194-Y197 PolarHBondContact O-N 3.4Å; M194-S198 PolarHBondContact O-N 3.48Å; M194-A214 VanDerWaalsContact SD-C 3.59Å; M194-A214 HydrophobicContact SD-CB 3.52Å; M194-A214 VanDerWaalsContact SD-CB 3.52Å; M194-A214 VanDerWaalsContact SD-O 3.4Å; M194-W218 HydrophobicContact CG-CB 3.78Å; M194-W218 HydrophobicContact CG-CG 4.4Å; M194-W218 HydrophobicContact SD-CB 4.16Å; M194-I239 HydrophobicContact CE-CD1 3.47Å; M194-I239 VanDerWaalsContact CE-CD1 3.47Å; M194-I239 HydrophobicContact CE-CG1 3.94Å; M194-I239 HydrophobicContact SD-CD1 4.15Å
195L95.5Very high91.5Very high2 Ų225.8 Ų25.81%0.0114%0.139CC..Hα-helixtrans-60.3-50.4172.6-72.3172.2000110.5F6 D120 M190 A191 S192 Y197 S198F6-L195 HydrophobicContact CE2-CB 4.31Å; F6-L195 HydrophobicContact CE2-CD2 4.36Å; F6-L195 VanDerWaalsContact CE2-O 3.3Å; F6-L195 WeakPolarHBondContact CE2-O 3.38Å; F6-L195 HydrophobicContact CZ-CD2 4.14Å; D120-L195 HydrophobicContact CB-CD2 3.83Å; M190-L195 HydrophobicContact CE-CD2 3.53Å; M190-L195 HydrophobicContact CE-CG 3.98Å; A191-L195 PolarHBondContact O-N 2.9Å; A191-L195 VanDerWaalsContact O-N 3.08Å; S192-L195 WeakPolarHBondContact O-CB 3.16Å; S192-L195 PolarHBondContact O-N 3.36Å; L195-Y197 PolarHBondContact O-N 2.77Å; L195-S198 WeakPolarHBondContact O-CB 3.38Å; L195-S198 PolarHBondContact O-N 3.43Å; L195-S198 PolarHBondContact O-OG 2.75Å
196V96.2Very high90.5Very high2 Ų225.2 Ų25.21%0.01214%0.138CC..Hα-helixtrans-68.8-33.3179.2-176.40000112C32 I35 L36 I98 S192 S193 S198 L199 V200C32-V196 VanDerWaalsContact SG-CG2 3.52Å; I35-V196 HydrophobicContact CB-CG1 4.23Å; I35-V196 HydrophobicContact CG2-CB 4.3Å; I35-V196 HydrophobicContact CG2-CG1 3.69Å; L36-V196 HydrophobicContact CD2-CG1 3.71Å; L36-V196 HydrophobicContact CD2-CG2 4.34Å; L36-V196 HydrophobicContact CG-CG1 4.03Å; I98-V196 HydrophobicContact CD1-CG2 3.8Å; I98-V196 HydrophobicContact CG2-CG2 3.88Å; S192-V196 WeakPolarHBondContact O-CG2 3.28Å; S192-V196 PolarHBondContact O-N 3.01Å; S193-V196 PolarHBondContact O-N 3.44Å; V196-S198 PolarHBondContact O-N 2.78Å; V196-L199 WeakPolarHBondContact O-CA 3.35Å; V196-L199 VanDerWaalsContact O-CB 3.23Å; V196-L199 WeakPolarHBondContact O-CB 3.43Å; V196-L199 PolarHBondContact O-N 2.82Å; V196-V200 PolarHBondContact O-N 3.44Å
197Y94.4Very high90Very high1 Ų127.3 Ų27.30%0.00415%0.15CC..Hα-helixtrans-59.7-31.5173.8178.1-112000112.7S193 M194 L195 L199 V200 R201 P210 L211 A214S193-Y197 VanDerWaalsContact O-CB 3.31Å; S193-Y197 WeakPolarHBondContact O-CB 3.38Å; S193-Y197 PolarHBondContact O-N 2.96Å; M194-Y197 HydrophobicContact CE-CD1 4.3Å; M194-Y197 PolarHBondContact O-N 3.4Å; L195-Y197 PolarHBondContact O-N 2.77Å; Y197-L199 PolarHBondContact O-N 3.16Å; Y197-V200 HydrophobicContact CD2-CB 4.13Å; Y197-V200 HydrophobicContact CD2-CG2 4.41Å; Y197-V200 HydrophobicContact CE2-CB 4.39Å; Y197-V200 HydrophobicContact CE2-CG1 4.38Å; Y197-V200 WeakPolarHBondContact O-CB 3.44Å; Y197-V200 PolarHBondContact O-N 2.9Å; Y197-V200 VanDerWaalsContact O-N 3.08Å; Y197-R201 HydrophobicContact CD1-CG 4.44Å; Y197-R201 HydrophobicContact CE1-CG 3.86Å; Y197-R201 HydrophobicContact CE2-CG 4.32Å; Y197-R201 PolarHBondContact O-N 3.47Å; Y197-R201 VanDerWaalsContact O-N 3.16Å; Y197-P210 HydrophobicContact CD2-CB 4.02Å; Y197-P210 HydrophobicContact CE2-CB 4.2Å; Y197-L211 HydrophobicContact CD1-CD1 4.27Å; Y197-L211 HydrophobicContact CE1-CB 4.4Å; Y197-L211 HydrophobicContact CE1-CD1 3.58Å; Y197-L211 VanDerWaalsContact CE2-CA 3.49Å; Y197-L211 HydrophobicContact CE2-CB 3.72Å; Y197-L211 HydrophobicContact CE2-CD1 4.44Å; Y197-A214 HydrophobicContact CD1-CB 4.29Å; Y197-A214 HydrophobicContact CD2-CB 4.33Å; Y197-A214 HydrophobicContact CG-CB 3.8Å
198S92.5Very high89.6Confident35 Ų3527.2 Ų27.225%0.24515%0.154CC..Hα-helixtrans-60.1-31.4173.379.90000112.5F6 M194 L195 V196 R201 I202F6-S198 VanDerWaalsContact CD2-OG 3.23Å; F6-S198 WeakPolarHBondContact CD2-OG 3.25Å; F6-S198 WeakPolarHBondContact CE2-OG 3.24Å; M194-S198 PolarHBondContact O-N 3.48Å; L195-S198 WeakPolarHBondContact O-CB 3.38Å; L195-S198 PolarHBondContact O-N 3.43Å; L195-S198 PolarHBondContact O-OG 2.75Å; V196-S198 PolarHBondContact O-N 2.78Å; S198-R201 WeakPolarHBondContact O-CB 3.47Å; S198-R201 PolarHBondContact O-N 3.24Å; S198-I202 WeakPolarHBondContact O-CD1 3.49Å; S198-I202 VanDerWaalsContact O-CG1 3.26Å; S198-I202 WeakPolarHBondContact O-CG1 3.45Å; S198-I202 PolarHBondContact O-N 3.4Å
199L92.5Very high89.3Confident1 Ų128 Ų281%0.00516%0.16CC..Hα-helixtrans-67.1-43.7172.8176.163.6000111.5F6 K7 F10 Y11 V39 V196 Y197 R201 I202 L203F6-L199 HydrophobicContact CB-CB 4.31Å; F6-L199 HydrophobicContact CB-CD1 4.18Å; K7-L199 HydrophobicContact CB-CD1 4.28Å; F10-L199 HydrophobicContact CD1-CD2 4.09Å; F10-L199 HydrophobicContact CE1-CD2 4.04Å; Y11-L199 HydrophobicContact CD2-CD2 4.09Å; Y11-L199 HydrophobicContact CG-CD1 4.32Å; Y11-L199 HydrophobicContact CG-CD2 4.17Å; V39-L199 HydrophobicContact CG1-CD2 4.08Å; V196-L199 WeakPolarHBondContact O-CA 3.35Å; V196-L199 VanDerWaalsContact O-CB 3.23Å; V196-L199 WeakPolarHBondContact O-CB 3.43Å; V196-L199 PolarHBondContact O-N 2.82Å; Y197-L199 PolarHBondContact O-N 3.16Å; L199-R201 PolarHBondContact O-N 3.36Å; L199-I202 PolarHBondContact O-N 3.09Å; L199-I202 VanDerWaalsContact O-N 3.07Å; L199-L203 HydrophobicContact CD1-CD1 4.06Å; L199-L203 HydrophobicContact CD1-CD2 4.47Å; L199-L203 HydrophobicContact CD1-CG 4.02Å; L199-L203 HydrophobicContact CG-CD1 3.96Å; L199-L203 HydrophobicContact CG-CG 4.32Å; L199-L203 WeakPolarHBondContact O-CG 3.5Å; L199-L203 PolarHBondContact O-N 3.33Å
200V90.5Very high89.2Confident0 Ų027.7 Ų27.70%016%0.158CC..Hα-helixtrans-53.4-43.8175.8177.10000110.5I35 F38 V39 V196 Y197 L203 S204 C205 P210I35-V200 HydrophobicContact CG2-CG2 3.5Å; I35-V200 VanDerWaalsContact CG2-CG2 3.5Å; F38-V200 HydrophobicContact CD1-CG2 4.37Å; F38-V200 HydrophobicContact CE1-CG1 4.04Å; V39-V200 HydrophobicContact CG2-CG2 3.57Å; V196-V200 PolarHBondContact O-N 3.44Å; Y197-V200 HydrophobicContact CD2-CB 4.13Å; Y197-V200 HydrophobicContact CD2-CG2 4.41Å; Y197-V200 HydrophobicContact CE2-CB 4.39Å; Y197-V200 HydrophobicContact CE2-CG1 4.38Å; Y197-V200 WeakPolarHBondContact O-CB 3.44Å; Y197-V200 PolarHBondContact O-N 2.9Å; Y197-V200 VanDerWaalsContact O-N 3.08Å; V200-L203 CarbonylContact O-C 3.46Å; V200-L203 PolarHBondContact O-N 3.11Å; V200-S204 PolarHBondContact O-N 3.34Å; V200-C205 HydrophobicContact CG1-CB 4.24Å; V200-C205 WeakPolarHBondContact CG1-O 3.29Å; V200-C205 PolarHBondContact O-N 2.99Å; V200-P210 HydrophobicContact CG1-CB 4.16Å; V200-P210 HydrophobicContact CG1-CG 4.34Å; V200-P210 HydrophobicContact CG2-CB 4.15Å
201R88.3Confident89Confident61 Ų6126.3 Ų26.323%0.2315%0.151CC..Hα-helixtrans-64.7-44.3177-68.5-166.357.7-166.1-12.6113Y197 S198 L199 L203 S204 D243Y197-R201 HydrophobicContact CD1-CG 4.44Å; Y197-R201 HydrophobicContact CE1-CG 3.86Å; Y197-R201 HydrophobicContact CE2-CG 4.32Å; Y197-R201 PolarHBondContact O-N 3.47Å; Y197-R201 VanDerWaalsContact O-N 3.16Å; S198-R201 WeakPolarHBondContact O-CB 3.47Å; S198-R201 PolarHBondContact O-N 3.24Å; L199-R201 PolarHBondContact O-N 3.36Å; R201-L203 PolarHBondContact O-N 3.43Å; R201-S204 PolarHBondContact O-N 2.78Å; R201-D243 IonicContact CZ-OD1 2.79Å; R201-D243 IonicContact NE-OD1 2.71Å; R201-D243 IonicContact NH1-OD1 2.67Å; R201-D243 PolarHBondContact NH1-OD1 2.81Å; R201-D243 IonicContact NH2-OD1 3.61Å
202I88.8Confident88.8Confident81 Ų8126.3 Ų26.342%0.41515%0.151SC..Hα-helixtrans-62.2-32.7176.6-68.6162.9000111.1K7 S198 L199 S204K7-I202 HydrophobicContact CB-CG2 3.85Å; K7-I202 HydrophobicContact CD-CG2 3.77Å; K7-I202 HydrophobicContact CG-CG2 4.39Å; S198-I202 WeakPolarHBondContact O-CD1 3.49Å; S198-I202 VanDerWaalsContact O-CG1 3.26Å; S198-I202 WeakPolarHBondContact O-CG1 3.45Å; S198-I202 PolarHBondContact O-N 3.4Å; L199-I202 PolarHBondContact O-N 3.09Å; L199-I202 VanDerWaalsContact O-N 3.07Å; I202-S204 VanDerWaalsContact C-N 3.3Å
203L87.6Confident88.6Confident41 Ų4127.1 Ų27.122%0.21515%0.154CC..Hα-helixtrans-80.2-9.6175.4-63.1177.2000113.3K7 Y11 V39 L199 V200 R201 C205K7-L203 HydrophobicContact CD-CD2 4.35Å; K7-L203 HydrophobicContact CG-CD2 4.4Å; Y11-L203 HydrophobicContact CD1-CD1 4.01Å; Y11-L203 HydrophobicContact CD1-CD2 3.86Å; Y11-L203 HydrophobicContact CD2-CD1 4.49Å; Y11-L203 HydrophobicContact CE1-CD1 3.77Å; Y11-L203 HydrophobicContact CE1-CD2 3.83Å; Y11-L203 HydrophobicContact CE1-CG 4.48Å; Y11-L203 HydrophobicContact CE2-CD1 4.29Å; Y11-L203 HydrophobicContact CG-CD1 4.35Å; V39-L203 HydrophobicContact CG1-CD1 3.93Å; L199-L203 HydrophobicContact CD1-CD1 4.06Å; L199-L203 HydrophobicContact CD1-CD2 4.47Å; L199-L203 HydrophobicContact CD1-CG 4.02Å; L199-L203 HydrophobicContact CG-CD1 3.96Å; L199-L203 HydrophobicContact CG-CG 4.32Å; L199-L203 WeakPolarHBondContact O-CG 3.5Å; L199-L203 PolarHBondContact O-N 3.33Å; V200-L203 CarbonylContact O-C 3.46Å; V200-L203 PolarHBondContact O-N 3.11Å; R201-L203 PolarHBondContact O-N 3.43Å; L203-C205 VanDerWaalsContact C-N 3.26Å; L203-C205 PolarHBondContact O-N 3.35Å
204S79.8Confident88.5Confident95 Ų9527.1 Ų27.166%0.66415%0.154SC*.THydrogen-bonded Turntrans60.931-179-53.80000114V200 R201 I202 D206V200-S204 PolarHBondContact O-N 3.34Å; R201-S204 PolarHBondContact O-N 2.78Å; I202-S204 VanDerWaalsContact C-N 3.3Å; S204-D206 VanDerWaalsContact C-N 3.27Å; S204-D206 PolarHBondContact O-N 3.26Å
205C70Confident88.5Confident35 Ų3526.9 Ų26.924%0.23615%0.153CC..  trans-93.347.1175.3-59.90000110.9F38 V200 L203 V207F38-C205 HydrophobicContact CE1-CB 3.93Å; F38-C205 HydrophobicContact CZ-CB 4.2Å; V200-C205 HydrophobicContact CG1-CB 4.24Å; V200-C205 WeakPolarHBondContact CG1-O 3.29Å; V200-C205 PolarHBondContact O-N 2.99Å; L203-C205 VanDerWaalsContact C-N 3.26Å; L203-C205 PolarHBondContact O-N 3.35Å; C205-V207 VanDerWaalsContact C-N 3.32Å; C205-V207 PolarHBondContact O-N 2.58Å
206D69.3Low88.6Confident52 Ų5226.8 Ų26.828%0.27815%0.153SC..  trans-77.375.3-168.8-63.7-45.4000112.6S204S204-D206 VanDerWaalsContact C-N 3.27Å; S204-D206 PolarHBondContact O-N 3.26Å
207V80.3Confident88.6Confident61 Ų6126.7 Ų26.737%0.3715%0.152SC..  trans-93.7156.1162.1-58.70000109.5F38 C205 D209 P210F38-V207 HydrophobicContact CE1-CG2 4.45Å; F38-V207 HydrophobicContact CE2-CG2 3.62Å; F38-V207 HydrophobicContact CZ-CG2 3.49Å; F38-V207 VanDerWaalsContact CZ-CG2 3.49Å; C205-V207 VanDerWaalsContact C-N 3.32Å; C205-V207 PolarHBondContact O-N 2.58Å; V207-D209 VanDerWaalsContact C-N 3.3Å; V207-D209 PolarHBondContact O-N 3.38Å; V207-P210 VanDerWaalsContact CG2-CD 3.44Å; V207-P210 HydrophobicContact CG2-CG 4.02Å; V207-P210 WeakPolarHBondContact O-CD 3.26Å
208P83.5Confident88.8Confident30 Ų3027.2 Ų27.220%0.19515%0.154CC..Hα-helixtrans-67.2-26.9-173.524.7-34000113.8L211 W212 L262 I264P208-L211 WeakPolarHBondContact O-CB 3.41Å; P208-L211 PolarHBondContact O-N 2.98Å; P208-W212 PolarHBondContact O-N 2.85Å; P208-L262 HydrophobicContact CB-CB 4.28Å; P208-L262 HydrophobicContact CB-CD2 4.19Å; P208-L262 HydrophobicContact CB-CG 4.21Å; P208-L262 HydrophobicContact CG-CB 4.03Å; P208-L262 HydrophobicContact CG-CG 4.49Å; P208-L262 WeakPolarHBondContact CG-O 3.33Å; P208-I264 HydrophobicContact CB-CD1 4.41Å
209D87.3Confident89Confident49 Ų4925.6 Ų25.626%0.26214%0.142SC..Hα-helixtrans-63.7-49.1-171.1-58.1-112.2000114.2V207 L211 W212 W213 L262V207-D209 VanDerWaalsContact C-N 3.3Å; V207-D209 PolarHBondContact O-N 3.38Å; D209-L211 VanDerWaalsContact C-N 3.29Å; D209-L211 PolarHBondContact O-N 2.78Å; D209-W212 WeakPolarHBondContact O-CB 3.37Å; D209-W212 PolarHBondContact O-N 3.13Å; D209-W213 HydrophobicContact CB-CH2 4.01Å; D209-W213 HydrophobicContact CB-CZ2 3.72Å; D209-W213 VanDerWaalsContact O-CD2 3.31Å; D209-W213 PolarHBondContact O-N 3.16Å; D209-L262 HydrophobicContact CB-CD2 4.47Å
210P91Very high89.1Confident0 Ų025.5 Ų25.50%014%0.142CC..Hα-helixtrans-59.3-36.5174.2-26.234.5000114I35 F38 Y197 V200 V207 W212 W213 A214I35-P210 HydrophobicContact CG1-CB 4.44Å; I35-P210 HydrophobicContact CG2-CB 4.49Å; F38-P210 HydrophobicContact CD1-CB 4.41Å; F38-P210 HydrophobicContact CD1-CG 3.49Å; F38-P210 VanDerWaalsContact CD1-CG 3.49Å; F38-P210 HydrophobicContact CD2-CG 4.09Å; F38-P210 HydrophobicContact CE1-CG 3.55Å; F38-P210 HydrophobicContact CE2-CG 4.14Å; F38-P210 HydrophobicContact CG-CG 3.79Å; F38-P210 HydrophobicContact CZ-CG 3.88Å; Y197-P210 HydrophobicContact CD2-CB 4.02Å; Y197-P210 HydrophobicContact CE2-CB 4.2Å; V200-P210 HydrophobicContact CG1-CB 4.16Å; V200-P210 HydrophobicContact CG1-CG 4.34Å; V200-P210 HydrophobicContact CG2-CB 4.15Å; V207-P210 VanDerWaalsContact CG2-CD 3.44Å; V207-P210 HydrophobicContact CG2-CG 4.02Å; V207-P210 WeakPolarHBondContact O-CD 3.26Å; P210-W212 VanDerWaalsContact C-N 3.34Å; P210-W213 HydrophobicContact CB-CE3 4.35Å; P210-W213 HydrophobicContact CB-CZ3 4.48Å; P210-W213 HydrophobicContact CG-CE3 4.42Å; P210-W213 HydrophobicContact CG-CZ3 4.09Å; P210-A214 WeakPolarHBondContact O-CB 3.37Å; P210-A214 PolarHBondContact O-N 3.45Å
211L91.9Very high89.3Confident2 Ų225.5 Ų25.51%0.0114%0.142CC..Hα-helixtrans-63.1-45.3173.8174.158.2000110Y197 P208 D209 W213 A214 L215 I239 D243 F247 I264Y197-L211 HydrophobicContact CD1-CD1 4.27Å; Y197-L211 HydrophobicContact CE1-CB 4.4Å; Y197-L211 HydrophobicContact CE1-CD1 3.58Å; Y197-L211 VanDerWaalsContact CE2-CA 3.49Å; Y197-L211 HydrophobicContact CE2-CB 3.72Å; Y197-L211 HydrophobicContact CE2-CD1 4.44Å; P208-L211 WeakPolarHBondContact O-CB 3.41Å; P208-L211 PolarHBondContact O-N 2.98Å; D209-L211 VanDerWaalsContact C-N 3.29Å; D209-L211 PolarHBondContact O-N 2.78Å; L211-W213 PolarHBondContact O-N 2.92Å; L211-A214 PolarHBondContact O-N 2.98Å; L211-L215 HydrophobicContact CD1-CD1 3.99Å; L211-L215 HydrophobicContact CD1-CD2 4.35Å; L211-L215 HydrophobicContact CD1-CG 3.87Å; L211-L215 HydrophobicContact CG-CD1 3.88Å; L211-L215 HydrophobicContact CG-CG 4.23Å; L211-L215 WeakPolarHBondContact O-CB 3.27Å; L211-L215 VanDerWaalsContact O-CG 3.24Å; L211-L215 WeakPolarHBondContact O-CG 3.36Å; L211-L215 PolarHBondContact O-N 2.82Å; L211-I239 HydrophobicContact CD1-CG2 4.39Å; L211-D243 HydrophobicContact CD2-CB 4.29Å; L211-F247 HydrophobicContact CD2-CD2 4.19Å; L211-F247 HydrophobicContact CD2-CE2 3.47Å; L211-F247 VanDerWaalsContact CD2-CE2 3.47Å; L211-F247 HydrophobicContact CD2-CZ 4.22Å; L211-I264 HydrophobicContact CB-CD1 4.17Å; L211-I264 HydrophobicContact CD2-CD1 3.96Å; L211-I264 HydrophobicContact CG-CD1 3.91Å
212W92.4Very high89.4Confident0 Ų023.4 Ų23.40%014%0.135CC..Hα-helixtrans-60.9-44.6179.4-179.9-122.1000112.7P208 D209 P210 A214 L215 I216 L262 I264 F355 A357 L365 A367 M370P208-W212 PolarHBondContact O-N 2.85Å; D209-W212 WeakPolarHBondContact O-CB 3.37Å; D209-W212 PolarHBondContact O-N 3.13Å; P210-W212 VanDerWaalsContact C-N 3.34Å; W212-A214 VanDerWaalsContact C-N 3.33Å; W212-A214 PolarHBondContact O-N 3.41Å; W212-L215 HydrophobicContact CE3-CB 4.49Å; W212-L215 HydrophobicContact CE3-CD1 4.42Å; W212-L215 PolarHBondContact O-N 2.86Å; W212-I216 HydrophobicContact CD2-CD1 4.22Å; W212-I216 HydrophobicContact CD2-CG1 4.38Å; W212-I216 HydrophobicContact CG-CD1 4.36Å; W212-I216 HydrophobicContact CZ2-CD1 4.05Å; W212-I216 HydrophobicContact CZ2-CG1 4.15Å; W212-I216 WeakPolarHBondContact O-CG1 3.36Å; W212-I216 PolarHBondContact O-N 3.01Å; W212-L262 HydrophobicContact CB-CD2 3.71Å; W212-L262 HydrophobicContact CG-CD2 3.99Å; W212-I264 HydrophobicContact CB-CD1 3.82Å; W212-I264 HydrophobicContact CB-CG1 4.49Å; W212-I264 HydrophobicContact CE3-CD1 4.4Å; W212-I264 HydrophobicContact CE3-CG1 4.36Å; W212-I264 HydrophobicContact CE3-CG2 4.18Å; W212-I264 HydrophobicContact CZ3-CG2 4.44Å; W212-F355 HydrophobicContact CZ3-CB 4.29Å; W212-A357 HydrophobicContact CD2-CB 3.85Å; W212-A357 HydrophobicContact CE3-CB 4Å; W212-A357 HydrophobicContact CH2-CB 3.65Å; W212-A357 HydrophobicContact CZ2-CB 3.47Å; W212-A357 VanDerWaalsContact CZ2-CB 3.47Å; W212-A357 HydrophobicContact CZ3-CB 3.91Å; W212-L365 VanDerWaalsContact CH2-O 3.31Å; W212-L365 WeakPolarHBondContact CH2-O 3.31Å; W212-L365 HydrophobicContact CZ2-CD2 4.38Å; W212-L365 HydrophobicContact CZ2-CG 4.41Å; W212-A367 HydrophobicContact CH2-CB 3.82Å; W212-A367 HydrophobicContact CZ3-CB 3.94Å; W212-M370 HydrophobicContact CZ2-CG 4.08Å
213W94.9Very high89.4Confident17 Ų1720.2 Ų20.26%0.06412%0.12CC..Hα-helixtrans-62.2-42175.4-53.9-31.8000111.4C31 K34 I35 F38 D209 P210 L211 L215 I216 G217 L397C31-W213 HydrophobicContact CB-CB 4.38Å; C31-W213 WeakPolarHBondContact CB-O 3.44Å; C31-W213 PolarHBondContact SG-O 3.08Å; K34-W213 HydrophobicContact CB-CD2 4.15Å; K34-W213 HydrophobicContact CB-CE3 4.02Å; K34-W213 HydrophobicContact CB-CG 4.5Å; K34-W213 HydrophobicContact CG-CD2 3.53Å; K34-W213 HydrophobicContact CG-CE3 3.54Å; K34-W213 HydrophobicContact CG-CG 4.19Å; K34-W213 HydrophobicContact CG-CH2 3.93Å; K34-W213 HydrophobicContact CG-CZ2 3.89Å; K34-W213 HydrophobicContact CG-CZ3 3.76Å; I35-W213 HydrophobicContact CD1-CB 4.36Å; I35-W213 HydrophobicContact CG1-CB 4.11Å; I35-W213 HydrophobicContact CG1-CE3 3.92Å; F38-W213 HydrophobicContact CB-CH2 4.47Å; F38-W213 HydrophobicContact CB-CZ3 3.86Å; F38-W213 HydrophobicContact CG-CZ3 4.35Å; D209-W213 HydrophobicContact CB-CH2 4.01Å; D209-W213 HydrophobicContact CB-CZ2 3.72Å; D209-W213 VanDerWaalsContact O-CD2 3.31Å; D209-W213 PolarHBondContact O-N 3.16Å; P210-W213 HydrophobicContact CB-CE3 4.35Å; P210-W213 HydrophobicContact CB-CZ3 4.48Å; P210-W213 HydrophobicContact CG-CE3 4.42Å; P210-W213 HydrophobicContact CG-CZ3 4.09Å; L211-W213 PolarHBondContact O-N 2.92Å; W213-L215 VanDerWaalsContact C-N 3.34Å; W213-L215 PolarHBondContact O-N 2.78Å; W213-I216 PolarHBondContact O-N 3.19Å; W213-G217 PolarHBondContact O-N 3.23Å; W213-L397 PolarHBondContact NE1-O 3.21Å
214A96.3Very high89.3Confident0 Ų021.2 Ų21.20%012%0.123CC..Hα-helixtrans-63.1-40.2176.900000112.4I35 M194 Y197 P210 L211 W212 I216 G217 W218I35-A214 HydrophobicContact CD1-CB 3.82Å; M194-A214 VanDerWaalsContact SD-C 3.59Å; M194-A214 HydrophobicContact SD-CB 3.52Å; M194-A214 VanDerWaalsContact SD-CB 3.52Å; M194-A214 VanDerWaalsContact SD-O 3.4Å; Y197-A214 HydrophobicContact CD1-CB 4.29Å; Y197-A214 HydrophobicContact CD2-CB 4.33Å; Y197-A214 HydrophobicContact CG-CB 3.8Å; P210-A214 WeakPolarHBondContact O-CB 3.37Å; P210-A214 PolarHBondContact O-N 3.45Å; L211-A214 PolarHBondContact O-N 2.98Å; W212-A214 VanDerWaalsContact C-N 3.33Å; W212-A214 PolarHBondContact O-N 3.41Å; A214-I216 VanDerWaalsContact C-N 3.35Å; A214-I216 PolarHBondContact O-N 3.34Å; A214-G217 PolarHBondContact O-N 2.97Å; A214-W218 PolarHBondContact O-N 2.85Å
215L96.1Very high89.5Confident0 Ų019 Ų190%012%0.115CC..Hα-helixtrans-65-36.7175.7-72.1174.5000112.5L211 W212 W213 T219 I239 I264 F355L211-L215 HydrophobicContact CD1-CD1 3.99Å; L211-L215 HydrophobicContact CD1-CD2 4.35Å; L211-L215 HydrophobicContact CD1-CG 3.87Å; L211-L215 HydrophobicContact CG-CD1 3.88Å; L211-L215 HydrophobicContact CG-CG 4.23Å; L211-L215 WeakPolarHBondContact O-CB 3.27Å; L211-L215 VanDerWaalsContact O-CG 3.24Å; L211-L215 WeakPolarHBondContact O-CG 3.36Å; L211-L215 PolarHBondContact O-N 2.82Å; W212-L215 HydrophobicContact CE3-CB 4.49Å; W212-L215 HydrophobicContact CE3-CD1 4.42Å; W212-L215 PolarHBondContact O-N 2.86Å; W213-L215 VanDerWaalsContact C-N 3.34Å; W213-L215 PolarHBondContact O-N 2.78Å; L215-T219 VanDerWaalsContact O-CB 3.31Å; L215-T219 WeakPolarHBondContact O-CB 3.45Å; L215-T219 PolarHBondContact O-N 2.94Å; L215-T219 PolarHBondContact O-OG1 2.99Å; L215-I239 HydrophobicContact CD2-CD1 4.38Å; L215-I239 HydrophobicContact CD2-CG2 3.86Å; L215-I264 HydrophobicContact CD1-CD1 4.33Å; L215-I264 HydrophobicContact CD1-CG2 3.79Å; L215-F355 HydrophobicContact CD1-CB 4.05Å; L215-F355 HydrophobicContact CD1-CD1 3.76Å; L215-F355 HydrophobicContact CD1-CD2 4.33Å; L215-F355 HydrophobicContact CD1-CE1 4.26Å; L215-F355 HydrophobicContact CD1-CG 3.79Å; L215-F355 HydrophobicContact CD2-CD1 4.15Å; L215-F355 HydrophobicContact CD2-CD2 3.62Å; L215-F355 HydrophobicContact CD2-CE1 4.05Å; L215-F355 HydrophobicContact CD2-CE2 3.5Å; L215-F355 VanDerWaalsContact CD2-CE2 3.5Å; L215-F355 HydrophobicContact CD2-CG 3.93Å; L215-F355 HydrophobicContact CD2-CZ 3.72Å; L215-F355 HydrophobicContact CG-CD2 4.4Å; L215-F355 HydrophobicContact CG-CG 4.35Å
216I96.3Very high90.4Very high0 Ų018 Ų180%011%0.107CC..Hα-helixtrans-63.8-48.1172.8-67.6165.5000110V27 W212 W213 A214 W218 T219 S220 A367 M370 A371 L374 L397V27-I216 HydrophobicContact CG1-CG2 4.04Å; W212-I216 HydrophobicContact CD2-CD1 4.22Å; W212-I216 HydrophobicContact CD2-CG1 4.38Å; W212-I216 HydrophobicContact CG-CD1 4.36Å; W212-I216 HydrophobicContact CZ2-CD1 4.05Å; W212-I216 HydrophobicContact CZ2-CG1 4.15Å; W212-I216 WeakPolarHBondContact O-CG1 3.36Å; W212-I216 PolarHBondContact O-N 3.01Å; W213-I216 PolarHBondContact O-N 3.19Å; A214-I216 VanDerWaalsContact C-N 3.35Å; A214-I216 PolarHBondContact O-N 3.34Å; I216-W218 PolarHBondContact O-N 3.23Å; I216-T219 CarbonylContact O-C 3.58Å; I216-T219 PolarHBondContact O-N 2.9Å; I216-T219 VanDerWaalsContact O-N 3.15Å; I216-S220 PolarHBondContact O-N 3.32Å; I216-A367 HydrophobicContact CG1-CB 4.4Å; I216-M370 HydrophobicContact CD1-CB 3.84Å; I216-M370 HydrophobicContact CD1-CE 4.18Å; I216-M370 HydrophobicContact CD1-CG 4.16Å; I216-M370 HydrophobicContact CG1-CB 3.96Å; I216-M370 HydrophobicContact CG2-CB 4.26Å; I216-A371 HydrophobicContact CG2-CB 4.35Å; I216-L374 HydrophobicContact CG2-CD1 3.85Å; I216-L397 HydrophobicContact CD1-CD2 3.83Å
217G98Very high91.4Very high0 Ų015.9 Ų15.90%010%0.095CC..Hα-helixtrans-64.9-34.9178.200000113.6S193 W213 A214 S220S193-G217 WeakPolarHBondContact OG-CA 3.47Å; W213-G217 PolarHBondContact O-N 3.23Å; A214-G217 PolarHBondContact O-N 2.97Å; G217-S220 PolarHBondContact O-N 3.46Å; G217-S220 PolarHBondContact O-OG 3.45Å
218W97.4Very high91.8Very high12 Ų1213.5 Ų13.55%0.0458%0.081CC..Hα-helixtrans-64.3-42.8170-179.6-127.6000112.3M190 A191 M194 A214 I216 S220 Q221 I227 Y232 K235 S236M190-W218 HydrophobicContact CG-CE3 4.44Å; M190-W218 HydrophobicContact CG-CZ3 4.32Å; A191-W218 HydrophobicContact CB-CB 4.49Å; A191-W218 HydrophobicContact CB-CE3 4.05Å; M194-W218 HydrophobicContact CG-CB 3.78Å; M194-W218 HydrophobicContact CG-CG 4.4Å; M194-W218 HydrophobicContact SD-CB 4.16Å; A214-W218 PolarHBondContact O-N 2.85Å; I216-W218 PolarHBondContact O-N 3.23Å; W218-S220 VanDerWaalsContact C-N 3.33Å; W218-Q221 PolarHBondContact O-N 3.48Å; W218-I227 HydrophobicContact CD2-CD1 4.14Å; W218-I227 HydrophobicContact CE3-CD1 3.9Å; W218-I227 HydrophobicContact CH2-CD1 3.33Å; W218-I227 HydrophobicContact CH2-CG2 4.31Å; W218-I227 HydrophobicContact CZ2-CD1 3.58Å; W218-I227 HydrophobicContact CZ3-CD1 3.51Å; W218-I227 HydrophobicContact CZ3-CG2 4.25Å; W218-Y232 AromaticContact CD1-CD2 3.7Å; W218-Y232 AromaticContact CD1-CE2 3.38Å; W218-Y232 HydrophobicContact CD2-CD2 4.3Å; W218-Y232 AromaticContact CE2-CD2 3.68Å; W218-Y232 HydrophobicContact CG-CD2 4.32Å; W218-Y232 HydrophobicContact CG-CE2 4.1Å; W218-Y232 HydrophobicContact CZ2-CD2 4.22Å; W218-Y232 AromaticContact NE1-CD2 3.25Å; W218-Y232 VanDerWaalsContact NE1-CD2 3.25Å; W218-Y232 AromaticContact NE1-CE2 3.43Å; W218-K235 HydrophobicContact CH2-CB 4.21Å; W218-K235 HydrophobicContact CH2-CG 4.37Å; W218-K235 HydrophobicContact CZ2-CB 3.39Å; W218-K235 HydrophobicContact CZ2-CG 3.78Å; W218-S236 PolarHBondContact NE1-OG 3.41Å
219T96.2Very high92Very high0 Ų013.1 Ų13.10%08%0.078CC..Hα-helixtrans-70.9-31-179.9-53.90000111.8L215 I216 Q221 L222 V223 Y232 A367 C368L215-T219 VanDerWaalsContact O-CB 3.31Å; L215-T219 WeakPolarHBondContact O-CB 3.45Å; L215-T219 PolarHBondContact O-N 2.94Å; L215-T219 PolarHBondContact O-OG1 2.99Å; I216-T219 CarbonylContact O-C 3.58Å; I216-T219 PolarHBondContact O-N 2.9Å; I216-T219 VanDerWaalsContact O-N 3.15Å; T219-Q221 VanDerWaalsContact C-N 3.28Å; T219-Q221 PolarHBondContact O-N 3.23Å; T219-L222 PolarHBondContact O-N 3.07Å; T219-L222 VanDerWaalsContact O-N 3.16Å; T219-V223 HydrophobicContact CG2-CG2 4.34Å; T219-V223 WeakPolarHBondContact O-CG2 3.45Å; T219-V223 PolarHBondContact O-N 3.42Å; T219-Y232 HydrophobicContact CG2-CE2 4.37Å; T219-Y232 PolarHBondContact OG1-OH 2.85Å; T219-A367 HydrophobicContact CG2-CB 4.25Å; T219-C368 HydrophobicContact CG2-CB 3.88Å
220S95.6Very high92.2Very high0 Ų013.3 Ų13.30%08%0.082CC..Hα-helixtrans-62.9-34.3175.572.60000112.2I216 G217 W218 L222 V223 E224I216-S220 PolarHBondContact O-N 3.32Å; G217-S220 PolarHBondContact O-N 3.46Å; G217-S220 PolarHBondContact O-OG 3.45Å; W218-S220 VanDerWaalsContact C-N 3.33Å; S220-L222 VanDerWaalsContact C-N 3.35Å; S220-L222 PolarHBondContact O-N 3.05Å; S220-V223 PolarHBondContact O-N 3.16Å; S220-E224 WeakPolarHBondContact O-CB 3.35Å; S220-E224 WeakPolarHBondContact O-CG 3.48Å; S220-E224 PolarHBondContact O-N 3.25Å
221Q94.3Very high92.1Very high0 Ų015.3 Ų15.30%09%0.091CC..Hα-helixtrans-63.6-38.8174.7-61.6-163.2-55.400112.5N100 S189 A191 W218 T219 G225 Q226 I227N100-Q221 PolarHBondContact ND2-NE2 2.69Å; N100-Q221 VanDerWaalsContact ND2-NE2 3.11Å; S189-Q221 PolarHBondContact O-NE2 3.36Å; S189-Q221 VanDerWaalsContact O-NE2 3.09Å; S189-Q221 PolarHBondContact O-OE1 3.06Å; A191-Q221 HydrophobicContact CB-CG 4.1Å; W218-Q221 PolarHBondContact O-N 3.48Å; T219-Q221 VanDerWaalsContact C-N 3.28Å; T219-Q221 PolarHBondContact O-N 3.23Å; Q221-G225 PolarHBondContact O-N 3.24Å; Q221-G225 VanDerWaalsContact O-N 3.11Å; Q221-Q226 HydrophobicContact CB-CB 4.14Å; Q221-Q226 VanDerWaalsContact CG-OE1 3.29Å; Q221-Q226 PolarHBondContact O-N 2.93Å; Q221-I227 HydrophobicContact CB-CD1 3.8Å; Q221-I227 HydrophobicContact CB-CG1 3.84Å; Q221-I227 HydrophobicContact CB-CG2 4.19Å; Q221-I227 PolarHBondContact O-N 3.42Å
222L91.6Very high92.1Very high17 Ų1715.2 Ų15.29%0.0899%0.091CC..Hα-helixtrans-66.5-48174.7174.568000110.2T219 S220 E224 G225 I227 L229 Y232 L271 Y352T219-L222 PolarHBondContact O-N 3.07Å; T219-L222 VanDerWaalsContact O-N 3.16Å; S220-L222 VanDerWaalsContact C-N 3.35Å; S220-L222 PolarHBondContact O-N 3.05Å; L222-E224 VanDerWaalsContact C-N 3.34Å; L222-E224 PolarHBondContact O-N 3.25Å; L222-G225 PolarHBondContact O-N 2.87Å; L222-G225 VanDerWaalsContact O-N 3.09Å; L222-I227 HydrophobicContact CB-CD1 4.21Å; L222-I227 HydrophobicContact CB-CG1 4.17Å; L222-L229 HydrophobicContact CD1-CB 4.31Å; L222-L229 HydrophobicContact CD1-CD1 4.28Å; L222-L229 HydrophobicContact CD2-CD1 4.19Å; L222-Y232 HydrophobicContact CB-CD2 3.74Å; L222-Y232 HydrophobicContact CB-CE2 4.21Å; L222-Y232 HydrophobicContact CB-CG 4.09Å; L222-Y232 HydrophobicContact CD1-CG 4.43Å; L222-Y232 HydrophobicContact CD2-CD1 3.7Å; L222-Y232 HydrophobicContact CD2-CD2 4.01Å; L222-Y232 HydrophobicContact CD2-CE1 3.98Å; L222-Y232 HydrophobicContact CD2-CE2 4.28Å; L222-Y232 HydrophobicContact CD2-CG 3.69Å; L222-Y232 HydrophobicContact CG-CD2 4.39Å; L222-Y232 HydrophobicContact CG-CG 4.27Å; L222-L271 HydrophobicContact CD2-CD1 4.3Å; L222-Y352 HydrophobicContact CD2-CD2 3.79Å; L222-Y352 HydrophobicContact CD2-CE2 3.92Å
223V87.1Confident92.2Very high14 Ų1417.7 Ų17.79%0.08511%0.106CC..Hα-helixtrans-55.6-52.6177.4171.20000108.3T219 S220 G225 R288 C368 A371 E372T219-V223 HydrophobicContact CG2-CG2 4.34Å; T219-V223 WeakPolarHBondContact O-CG2 3.45Å; T219-V223 PolarHBondContact O-N 3.42Å; S220-V223 PolarHBondContact O-N 3.16Å; V223-G225 PolarHBondContact O-N 3.37Å; V223-G225 VanDerWaalsContact O-N 3.13Å; V223-R288 PolarHBondContact O-NH1 3.08Å; V223-R288 PolarHBondContact O-NH2 2.9Å; V223-C368 HydrophobicContact CG2-CB 4.47Å; V223-C368 VanDerWaalsContact CG2-SG 3.53Å; V223-A371 HydrophobicContact CG2-CB 4.35Å; V223-E372 HydrophobicContact CG1-CG 3.85Å
224E86.4Confident92Very high62 Ų6221.9 Ų21.929%0.2913%0.133SC..Hα-helixtrans-70.7-7.6-178.7-68.6170.3-165.200114.3S220 L222 Q226S220-E224 WeakPolarHBondContact O-CB 3.35Å; S220-E224 WeakPolarHBondContact O-CG 3.48Å; S220-E224 PolarHBondContact O-N 3.25Å; L222-E224 VanDerWaalsContact C-N 3.34Å; L222-E224 PolarHBondContact O-N 3.25Å; E224-Q226 VanDerWaalsContact C-N 3.32Å; E224-Q226 HydrophobicContact CB-CG 4.1Å; E224-Q226 PolarHBondContact OE2-NE2 3.4Å
225G84.8Confident91.8Very high47 Ų4723.9 Ų23.949%0.48514%0.142SC..THydrogen-bonded Turntrans76.618.8179.300000113.9Q221 L222 V223 I227Q221-G225 PolarHBondContact O-N 3.24Å; Q221-G225 VanDerWaalsContact O-N 3.11Å; L222-G225 PolarHBondContact O-N 2.87Å; L222-G225 VanDerWaalsContact O-N 3.09Å; V223-G225 PolarHBondContact O-N 3.37Å; V223-G225 VanDerWaalsContact O-N 3.13Å; G225-I227 VanDerWaalsContact C-N 3.34Å
226Q89.2Confident91.7Very high15 Ų1523.9 Ų23.97%0.0714%0.142CC..SBendtrans-74.1-28.7177.3-66.7173.4-17.300111.9Y188 Q221 E224Y188-Q226 HydrophobicContact CD1-CB 4.3Å; Y188-Q226 HydrophobicContact CD1-CG 4.21Å; Y188-Q226 HydrophobicContact CD2-CB 3.58Å; Y188-Q226 HydrophobicContact CD2-CG 3.84Å; Y188-Q226 HydrophobicContact CE1-CG 4.11Å; Y188-Q226 HydrophobicContact CE2-CB 4.01Å; Y188-Q226 HydrophobicContact CE2-CG 3.73Å; Y188-Q226 HydrophobicContact CG-CB 3.74Å; Y188-Q226 HydrophobicContact CG-CG 4.07Å; Q221-Q226 HydrophobicContact CB-CB 4.14Å; Q221-Q226 VanDerWaalsContact CG-OE1 3.29Å; Q221-Q226 PolarHBondContact O-N 2.93Å; E224-Q226 VanDerWaalsContact C-N 3.32Å; E224-Q226 HydrophobicContact CB-CG 4.1Å; E224-Q226 PolarHBondContact OE2-NE2 3.4Å
227I89.7Confident91.5Very high7 Ų726.4 Ų26.44%0.03616%0.157CC..SBendtrans-124.3153175.861.1176.2000110.6W218 Q221 L222 G225 Y232W218-I227 HydrophobicContact CD2-CD1 4.14Å; W218-I227 HydrophobicContact CE3-CD1 3.9Å; W218-I227 HydrophobicContact CH2-CD1 3.33Å; W218-I227 HydrophobicContact CH2-CG2 4.31Å; W218-I227 HydrophobicContact CZ2-CD1 3.58Å; W218-I227 HydrophobicContact CZ3-CD1 3.51Å; W218-I227 HydrophobicContact CZ3-CG2 4.25Å; Q221-I227 HydrophobicContact CB-CD1 3.8Å; Q221-I227 HydrophobicContact CB-CG1 3.84Å; Q221-I227 HydrophobicContact CB-CG2 4.19Å; Q221-I227 PolarHBondContact O-N 3.42Å; L222-I227 HydrophobicContact CB-CD1 4.21Å; L222-I227 HydrophobicContact CB-CG1 4.17Å; G225-I227 VanDerWaalsContact C-N 3.34Å; I227-Y232 HydrophobicContact CD1-CD2 3.92Å; I227-Y232 HydrophobicContact CD1-CG 4.49Å
228S87.8Confident91.1Very high11 Ų1129.2 Ų29.28%0.07717%0.172CC..  trans-79.4157.4174.869.30000112Q231 Y232S228-Q231 WeakPolarHBondContact O-CB 3.34Å; S228-Q231 PolarHBondContact O-N 3.18Å; S228-Q231 VanDerWaalsContact OG-CG 3.24Å; S228-Q231 WeakPolarHBondContact OG-CG 3.42Å; S228-Q231 PolarHBondContact OG-N 3.01Å; S228-Q231 PolarHBondContact OG-OE1 3.43Å; S228-Y232 PolarHBondContact O-N 3.25Å
229L88.8Confident90.7Very high23 Ų2328.7 Ų28.712%0.1217%0.17CC..Hα-helixtrans-58.4-43.4176.5179.660.8000113.1L222 Q231 Y232 T233 D349 Y352L222-L229 HydrophobicContact CD1-CB 4.31Å; L222-L229 HydrophobicContact CD1-CD1 4.28Å; L222-L229 HydrophobicContact CD2-CD1 4.19Å; L229-Q231 VanDerWaalsContact C-N 3.33Å; L229-Q231 PolarHBondContact O-N 3Å; L229-Y232 HydrophobicContact CD1-CD1 4.48Å; L229-Y232 WeakPolarHBondContact O-CB 3.48Å; L229-Y232 PolarHBondContact O-N 3.06Å; L229-T233 PolarHBondContact O-N 3.23Å; L229-T233 PolarHBondContact O-OG1 3.36Å; L229-T233 VanDerWaalsContact O-OG1 3.09Å; L229-D349 HydrophobicContact CD2-CB 3.94Å; L229-Y352 HydrophobicContact CD1-CD2 4.45Å; L229-Y352 HydrophobicContact CD1-CG 4.38Å
230P90Very high90.3Very high53 Ų5330.5 Ų30.534%0.34418%0.18SC..Hα-helixtrans-60-38.8175.3-27.136.4000114T233 T234 Q456P230-T233 PolarHBondContact O-N 3.23Å; P230-T234 WeakPolarHBondContact O-CB 3.48Å; P230-T234 PolarHBondContact O-N 2.89Å; P230-T234 PolarHBondContact O-OG1 2.9Å; P230-Q456 HydrophobicContact CG-CG 4.12Å
231Q89.9Confident89.8Confident42 Ų4236.3 Ų36.320%0.19621%0.207CC..Hα-helixtrans-64.5-46.4174.5-69.9171.8-7500110.9S228 L229 T233 T234 K235 P462S228-Q231 WeakPolarHBondContact O-CB 3.34Å; S228-Q231 PolarHBondContact O-N 3.18Å; S228-Q231 VanDerWaalsContact OG-CG 3.24Å; S228-Q231 WeakPolarHBondContact OG-CG 3.42Å; S228-Q231 PolarHBondContact OG-N 3.01Å; S228-Q231 PolarHBondContact OG-OE1 3.43Å; L229-Q231 VanDerWaalsContact C-N 3.33Å; L229-Q231 PolarHBondContact O-N 3Å; Q231-T233 PolarHBondContact O-N 2.89Å; Q231-T234 PolarHBondContact O-N 2.8Å; Q231-K235 PolarHBondContact O-N 3.36Å; Q231-K235 VanDerWaalsContact O-N 3.12Å; Q231-P462 VanDerWaalsContact OE1-CD 3.28Å
232Y92.7Very high89Confident0 Ų040.6 Ų40.60%022%0.223CC..Hα-helixtrans-54.8-52.9174.4-177.7-94.8000111.4W218 T219 L222 I227 S228 L229 T234 K235 S236 Y352 G353W218-Y232 AromaticContact CD1-CD2 3.7Å; W218-Y232 AromaticContact CD1-CE2 3.38Å; W218-Y232 HydrophobicContact CD2-CD2 4.3Å; W218-Y232 AromaticContact CE2-CD2 3.68Å; W218-Y232 HydrophobicContact CG-CD2 4.32Å; W218-Y232 HydrophobicContact CG-CE2 4.1Å; W218-Y232 HydrophobicContact CZ2-CD2 4.22Å; W218-Y232 AromaticContact NE1-CD2 3.25Å; W218-Y232 VanDerWaalsContact NE1-CD2 3.25Å; W218-Y232 AromaticContact NE1-CE2 3.43Å; T219-Y232 HydrophobicContact CG2-CE2 4.37Å; T219-Y232 PolarHBondContact OG1-OH 2.85Å; L222-Y232 HydrophobicContact CB-CD2 3.74Å; L222-Y232 HydrophobicContact CB-CE2 4.21Å; L222-Y232 HydrophobicContact CB-CG 4.09Å; L222-Y232 HydrophobicContact CD1-CG 4.43Å; L222-Y232 HydrophobicContact CD2-CD1 3.7Å; L222-Y232 HydrophobicContact CD2-CD2 4.01Å; L222-Y232 HydrophobicContact CD2-CE1 3.98Å; L222-Y232 HydrophobicContact CD2-CE2 4.28Å; L222-Y232 HydrophobicContact CD2-CG 3.69Å; L222-Y232 HydrophobicContact CG-CD2 4.39Å; L222-Y232 HydrophobicContact CG-CG 4.27Å; I227-Y232 HydrophobicContact CD1-CD2 3.92Å; I227-Y232 HydrophobicContact CD1-CG 4.49Å; S228-Y232 PolarHBondContact O-N 3.25Å; L229-Y232 HydrophobicContact CD1-CD1 4.48Å; L229-Y232 WeakPolarHBondContact O-CB 3.48Å; L229-Y232 PolarHBondContact O-N 3.06Å; Y232-T234 PolarHBondContact O-N 2.78Å; Y232-K235 PolarHBondContact O-N 2.69Å; Y232-S236 WeakPolarHBondContact CE1-OG 3.23Å; Y232-S236 VanDerWaalsContact O-CB 3.26Å; Y232-S236 WeakPolarHBondContact O-CB 3.49Å; Y232-S236 PolarHBondContact O-N 3.37Å; Y232-S236 PolarHBondContact O-OG 2.86Å; Y232-Y352 HydrophobicContact CD1-CD2 4.03Å; Y232-Y352 AromaticContact CE1-CD2 3.56Å; Y232-Y352 HydrophobicContact CE1-CD2 3.56Å; Y232-Y352 AromaticContact CE1-CE2 3.8Å; Y232-Y352 HydrophobicContact CE1-CE2 3.8Å; Y232-G353 VanDerWaalsContact CE1-O 3.3Å; Y232-G353 WeakPolarHBondContact CE1-O 3.44Å
233T93Very high88Confident52 Ų5239.9 Ų39.932%0.31922%0.22SC..Hα-helixtrans-59.2-48.5-179-61.70000112L229 P230 Q231 K235 S236 V237L229-T233 PolarHBondContact O-N 3.23Å; L229-T233 PolarHBondContact O-OG1 3.36Å; L229-T233 VanDerWaalsContact O-OG1 3.09Å; P230-T233 PolarHBondContact O-N 3.23Å; Q231-T233 PolarHBondContact O-N 2.89Å; T233-K235 VanDerWaalsContact C-N 3.3Å; T233-K235 PolarHBondContact O-N 2.89Å; T233-S236 PolarHBondContact O-N 2.9Å; T233-V237 HydrophobicContact CG2-CG2 4.36Å; T233-V237 WeakPolarHBondContact O-CB 3.37Å; T233-V237 VanDerWaalsContact O-CG2 3.31Å; T233-V237 WeakPolarHBondContact O-CG2 3.33Å; T233-V237 PolarHBondContact O-N 3.33Å
234T92.2Very high86.9Confident105 Ų10542.1 Ų42.164%0.64423%0.227SC*.Hα-helixtrans-57.2-46.9-179.1-58.70000110.8P230 Q231 Y232 D238P230-T234 WeakPolarHBondContact O-CB 3.48Å; P230-T234 PolarHBondContact O-N 2.89Å; P230-T234 PolarHBondContact O-OG1 2.9Å; Q231-T234 PolarHBondContact O-N 2.8Å; Y232-T234 PolarHBondContact O-N 2.78Å; T234-D238 PolarHBondContact O-N 3.14Å; T234-D238 VanDerWaalsContact O-N 3.16Å
235K91.7Very high85.2Confident42 Ų4245 Ų4518%0.18324%0.243CC..Hα-helixtrans-72.5-39.7-179.2-169.854.2174.8176.50112.8M190 W218 Q231 Y232 T233 V237 D238 I239M190-K235 VanDerWaalsContact SD-CE 3.51Å; W218-K235 HydrophobicContact CH2-CB 4.21Å; W218-K235 HydrophobicContact CH2-CG 4.37Å; W218-K235 HydrophobicContact CZ2-CB 3.39Å; W218-K235 HydrophobicContact CZ2-CG 3.78Å; Q231-K235 PolarHBondContact O-N 3.36Å; Q231-K235 VanDerWaalsContact O-N 3.12Å; Y232-K235 PolarHBondContact O-N 2.69Å; T233-K235 VanDerWaalsContact C-N 3.3Å; T233-K235 PolarHBondContact O-N 2.89Å; K235-V237 VanDerWaalsContact C-N 3.3Å; K235-V237 PolarHBondContact O-N 3.13Å; K235-D238 IonicContact NZ-OD2 3.47Å; K235-D238 PolarHBondContact NZ-OD2 2.77Å; K235-D238 WeakPolarHBondContact O-CB 3.39Å; K235-D238 PolarHBondContact O-N 2.7Å; K235-I239 HydrophobicContact CD-CD1 4.48Å; K235-I239 HydrophobicContact CD-CG1 4.47Å; K235-I239 HydrophobicContact CG-CD1 3.9Å; K235-I239 HydrophobicContact CG-CG1 4.39Å; K235-I239 VanDerWaalsContact O-CG1 3.26Å; K235-I239 WeakPolarHBondContact O-CG1 3.46Å; K235-I239 PolarHBondContact O-N 3.48Å
236S93.2Very high83.8Confident0 Ų046.1 Ų46.10%024%0.238CC..Hα-helixtrans-63.6-37178.3-66.10000111.7W218 Y232 T233 N240 F355W218-S236 PolarHBondContact NE1-OG 3.41Å; Y232-S236 WeakPolarHBondContact CE1-OG 3.23Å; Y232-S236 VanDerWaalsContact O-CB 3.26Å; Y232-S236 WeakPolarHBondContact O-CB 3.49Å; Y232-S236 PolarHBondContact O-N 3.37Å; Y232-S236 PolarHBondContact O-OG 2.86Å; T233-S236 PolarHBondContact O-N 2.9Å; S236-N240 VanDerWaalsContact O-CB 3.25Å; S236-N240 WeakPolarHBondContact O-CB 3.18Å; S236-N240 PolarHBondContact O-N 2.66Å; S236-F355 WeakPolarHBondContact O-CZ 3.5Å
237V91.6Very high82.2Confident52 Ų5247.4 Ų47.432%0.31524%0.244SC..Hα-helixtrans-66.7-43.6173.1172.40000111.3T233 K235 N240 Q241 F266T233-V237 HydrophobicContact CG2-CG2 4.36Å; T233-V237 WeakPolarHBondContact O-CB 3.37Å; T233-V237 VanDerWaalsContact O-CG2 3.31Å; T233-V237 WeakPolarHBondContact O-CG2 3.33Å; T233-V237 PolarHBondContact O-N 3.33Å; K235-V237 VanDerWaalsContact C-N 3.3Å; K235-V237 PolarHBondContact O-N 3.13Å; V237-N240 PolarHBondContact O-N 3.3Å; V237-Q241 HydrophobicContact CG1-CG 4.37Å; V237-Q241 WeakPolarHBondContact O-CB 3.32Å; V237-Q241 VanDerWaalsContact O-CG 3.31Å; V237-Q241 WeakPolarHBondContact O-CG 3.45Å; V237-Q241 PolarHBondContact O-N 3.19Å; V237-F266 HydrophobicContact CG2-CZ 4.4Å
238D90.4Very high80.2Confident59 Ų5948.9 Ų48.932%0.31626%0.26SS..Hα-helixtrans-57.6-50.6173.7170.249.5000111.3T234 K235 N240 Q241 R242T234-D238 PolarHBondContact O-N 3.14Å; T234-D238 VanDerWaalsContact O-N 3.16Å; K235-D238 IonicContact NZ-OD2 3.47Å; K235-D238 PolarHBondContact NZ-OD2 2.77Å; K235-D238 WeakPolarHBondContact O-CB 3.39Å; K235-D238 PolarHBondContact O-N 2.7Å; D238-N240 PolarHBondContact O-N 2.88Å; D238-Q241 PolarHBondContact O-N 2.95Å; D238-R242 WeakPolarHBondContact O-CB 3.24Å; D238-R242 PolarHBondContact O-N 3.38Å
239I89.4Confident78.2Confident1 Ų158.6 Ų58.61%0.00530%0.296CS..Hα-helixtrans-57-49.3176.4-68.3163.9000110.6M194 L211 L215 K235 Q241 R242 D243 F355M194-I239 HydrophobicContact CE-CD1 3.47Å; M194-I239 VanDerWaalsContact CE-CD1 3.47Å; M194-I239 HydrophobicContact CE-CG1 3.94Å; M194-I239 HydrophobicContact SD-CD1 4.15Å; L211-I239 HydrophobicContact CD1-CG2 4.39Å; L215-I239 HydrophobicContact CD2-CD1 4.38Å; L215-I239 HydrophobicContact CD2-CG2 3.86Å; K235-I239 HydrophobicContact CD-CD1 4.48Å; K235-I239 HydrophobicContact CD-CG1 4.47Å; K235-I239 HydrophobicContact CG-CD1 3.9Å; K235-I239 HydrophobicContact CG-CG1 4.39Å; K235-I239 VanDerWaalsContact O-CG1 3.26Å; K235-I239 WeakPolarHBondContact O-CG1 3.46Å; K235-I239 PolarHBondContact O-N 3.48Å; I239-Q241 PolarHBondContact O-N 3.44Å; I239-R242 PolarHBondContact O-N 3.23Å; I239-D243 WeakPolarHBondContact CG2-OD2 3.36Å; I239-D243 WeakPolarHBondContact O-CB 3.34Å; I239-D243 PolarHBondContact O-N 3.09Å; I239-F355 HydrophobicContact CB-CZ 4.31Å; I239-F355 HydrophobicContact CG2-CE1 4.44Å; I239-F355 HydrophobicContact CG2-CZ 4.05Å
240N86.9Confident76.2Confident39 Ų3962.8 Ų62.821%0.20931%0.314CS..Hα-helixtrans-59.5-47.9-179.8-178.854.3000111.6S236 V237 D238 Y244 F266 F355S236-N240 VanDerWaalsContact O-CB 3.25Å; S236-N240 WeakPolarHBondContact O-CB 3.18Å; S236-N240 PolarHBondContact O-N 2.66Å; V237-N240 PolarHBondContact O-N 3.3Å; D238-N240 PolarHBondContact O-N 2.88Å; N240-Y244 HydrophobicContact CB-CD2 4.44Å; N240-Y244 VanDerWaalsContact O-CB 3.28Å; N240-Y244 WeakPolarHBondContact O-CB 3.33Å; N240-Y244 WeakPolarHBondContact O-CD2 3.35Å; N240-Y244 PolarHBondContact O-N 2.82Å; N240-Y244 VanDerWaalsContact O-N 3.11Å; N240-Y244 WeakPolarHBondContact OD1-CD2 3.46Å; N240-Y244 WeakPolarHBondContact OD1-CE2 3.37Å; N240-F266 HydrophobicContact CB-CB 4.35Å; N240-F266 HydrophobicContact CB-CD1 4.29Å; N240-F266 HydrophobicContact CB-CD2 4.28Å; N240-F266 HydrophobicContact CB-CG 4.05Å; N240-F266 VanDerWaalsContact OD1-CB 3.23Å; N240-F266 WeakPolarHBondContact OD1-CB 3.31Å; N240-F355 HydrophobicContact CB-CE1 4.26Å; N240-F355 HydrophobicContact CB-CZ 4.42Å
241Q85.1Confident74.1Confident121 Ų12162.6 Ų62.657%0.56531%0.312SS*.Hα-helixtrans-63.8-44.7178.1-71.1177.34.600111.7V237 D238 I239 L245V237-Q241 HydrophobicContact CG1-CG 4.37Å; V237-Q241 WeakPolarHBondContact O-CB 3.32Å; V237-Q241 VanDerWaalsContact O-CG 3.31Å; V237-Q241 WeakPolarHBondContact O-CG 3.45Å; V237-Q241 PolarHBondContact O-N 3.19Å; D238-Q241 PolarHBondContact O-N 2.95Å; I239-Q241 PolarHBondContact O-N 3.44Å; Q241-L245 WeakPolarHBondContact O-CB 3.47Å; Q241-L245 WeakPolarHBondContact O-CD1 3.13Å; Q241-L245 WeakPolarHBondContact O-CG 3.34Å
242R78.6Confident72Confident91 Ų9164.1 Ų64.134%0.34334%0.34SS..Hα-helixtrans-72.6-40.5-173.5-168.3174.866157.39.4112.9D238 I239 N246D238-R242 WeakPolarHBondContact O-CB 3.24Å; D238-R242 PolarHBondContact O-N 3.38Å; I239-R242 PolarHBondContact O-N 3.23Å; R242-N246 PolarHBondContact O-ND2 3.03Å
243D69.7Low69.7Low2 Ų268 Ų681%0.01136%0.36CS..Hα-helixtrans-95.9-33.3-170.8-61.7-31.6000112.4R201 L211 I239 L245 N246 F247R201-D243 IonicContact CZ-OD1 2.79Å; R201-D243 IonicContact NE-OD1 2.71Å; R201-D243 IonicContact NH1-OD1 2.67Å; R201-D243 PolarHBondContact NH1-OD1 2.81Å; R201-D243 IonicContact NH2-OD1 3.61Å; L211-D243 HydrophobicContact CD2-CB 4.29Å; I239-D243 WeakPolarHBondContact CG2-OD2 3.36Å; I239-D243 WeakPolarHBondContact O-CB 3.34Å; I239-D243 PolarHBondContact O-N 3.09Å; D243-L245 PolarHBondContact O-N 2.8Å; D243-N246 WeakPolarHBondContact O-CB 3.36Å; D243-N246 PolarHBondContact O-N 3.29Å; D243-N246 VanDerWaalsContact O-N 3.07Å; D243-F247 VanDerWaalsContact O-CD2 3.24Å; D243-F247 WeakPolarHBondContact O-CD2 3.45Å; D243-F247 PolarHBondContact O-N 2.71Å
244Y63.4Low67.4Low61 Ų6173.7 Ų73.724%0.23938%0.376CS..Hα-helixtrans-73.5-24.9174.5-77.1-102.3000113.6N240 N246 G248 I264 H265 F266 F355N240-Y244 HydrophobicContact CB-CD2 4.44Å; N240-Y244 VanDerWaalsContact O-CB 3.28Å; N240-Y244 WeakPolarHBondContact O-CB 3.33Å; N240-Y244 WeakPolarHBondContact O-CD2 3.35Å; N240-Y244 PolarHBondContact O-N 2.82Å; N240-Y244 VanDerWaalsContact O-N 3.11Å; N240-Y244 WeakPolarHBondContact OD1-CD2 3.46Å; N240-Y244 WeakPolarHBondContact OD1-CE2 3.37Å; Y244-N246 PolarHBondContact O-N 3.46Å; Y244-G248 WeakPolarHBondContact O-CA 3.26Å; Y244-G248 PolarHBondContact O-N 3.04Å; Y244-I264 VanDerWaalsContact CE1-O 3.28Å; Y244-I264 WeakPolarHBondContact CE1-O 3.07Å; Y244-I264 WeakPolarHBondContact OH-CG2 3.5Å; Y244-I264 PolarHBondContact OH-O 2.81Å; Y244-H265 WeakPolarHBondContact OH-CA 3.24Å; Y244-H265 PolarHBondContact OH-N 3.22Å; Y244-F266 HydrophobicContact CE2-CB 4.5Å; Y244-F266 PolarHBondContact OH-N 3.31Å; Y244-F355 HydrophobicContact CE2-CE1 4.27Å
245L52.3Low65.3Low121 Ų12176.7 Ų76.763%0.63439%0.388SS*.Hα-helixtrans-63.6-26.6169.1-71.9174.8000111.3Q241 D243 R249Q241-L245 WeakPolarHBondContact O-CB 3.47Å; Q241-L245 WeakPolarHBondContact O-CD1 3.13Å; Q241-L245 WeakPolarHBondContact O-CG 3.34Å; D243-L245 PolarHBondContact O-N 2.8Å; L245-R249 WeakPolarHBondContact O-CG 3.47Å; L245-R249 PolarHBondContact O-N 2.96Å
246N53.8Low63.3Low71 Ų7182.4 Ų82.438%0.3841%0.413SS..Hα-helixtrans-84.5-50.3177.2-62.6-30.2000111.9R242 D243 Y244 G248 R249 Q250R242-N246 PolarHBondContact O-ND2 3.03Å; D243-N246 WeakPolarHBondContact O-CB 3.36Å; D243-N246 PolarHBondContact O-N 3.29Å; D243-N246 VanDerWaalsContact O-N 3.07Å; Y244-N246 PolarHBondContact O-N 3.46Å; N246-G248 VanDerWaalsContact C-N 3.33Å; N246-G248 PolarHBondContact O-N 3.44Å; N246-R249 PolarHBondContact O-N 3.49Å; N246-Q250 PolarHBondContact O-N 3.49Å
247F55.2Low61.3Low43 Ų4386.1 Ų86.119%0.18943%0.432CS..Hα-helixtrans-65.2-38175.3-72.2-70.7000111.6L211 D243 R249 Q250 V251L211-F247 HydrophobicContact CD2-CD2 4.19Å; L211-F247 HydrophobicContact CD2-CE2 3.47Å; L211-F247 VanDerWaalsContact CD2-CE2 3.47Å; L211-F247 HydrophobicContact CD2-CZ 4.22Å; D243-F247 VanDerWaalsContact O-CD2 3.24Å; D243-F247 WeakPolarHBondContact O-CD2 3.45Å; D243-F247 PolarHBondContact O-N 2.71Å; F247-R249 VanDerWaalsContact C-N 3.32Å; F247-R249 PolarHBondContact O-N 2.94Å; F247-Q250 CarbonylContact O-C 3.46Å; F247-Q250 WeakPolarHBondContact O-CA 3.43Å; F247-Q250 WeakPolarHBondContact O-CB 3.49Å; F247-Q250 PolarHBondContact O-N 2.84Å; F247-V251 WeakPolarHBondContact O-CB 3.42Å; F247-V251 WeakPolarHBondContact O-CG2 3.48Å; F247-V251 PolarHBondContact O-N 3.33Å
248G48.9Very low59.3Low37 Ų3787.2 Ų87.238%0.38144%0.442SS..Hα-helixtrans-54.9-42172.100000113.3Y244 N246 V251 G252Y244-G248 WeakPolarHBondContact O-CA 3.26Å; Y244-G248 PolarHBondContact O-N 3.04Å; N246-G248 VanDerWaalsContact C-N 3.33Å; N246-G248 PolarHBondContact O-N 3.44Å; G248-V251 CarbonylContact O-C 3.54Å; G248-V251 WeakPolarHBondContact O-CA 3.44Å; G248-V251 WeakPolarHBondContact O-CB 3.45Å; G248-V251 PolarHBondContact O-N 3.12Å; G248-V251 VanDerWaalsContact O-N 3.13Å; G248-G252 PolarHBondContact O-N 3.36Å; G248-G252 VanDerWaalsContact O-N 3.09Å
249R45.9Very low57.5Low216 Ų21692.1 Ų92.182%0.81546%0.461SS*.Hα-helixtrans-65.3-37.5173.1-87.4-177.5-165-1614.7112.5L245 N246 F247 V251L245-R249 WeakPolarHBondContact O-CG 3.47Å; L245-R249 PolarHBondContact O-N 2.96Å; N246-R249 PolarHBondContact O-N 3.49Å; F247-R249 VanDerWaalsContact C-N 3.32Å; F247-R249 PolarHBondContact O-N 2.94Å; R249-V251 VanDerWaalsContact C-N 3.31Å
250Q46.7Very low56Low110 Ų11097.5 Ų97.551%0.51449%0.489SS..Hα-helixtrans-71-29.5170.7-65.4-157.69.700112.3N246 F247 G252 N253N246-Q250 PolarHBondContact O-N 3.49Å; F247-Q250 CarbonylContact O-C 3.46Å; F247-Q250 WeakPolarHBondContact O-CA 3.43Å; F247-Q250 WeakPolarHBondContact O-CB 3.49Å; F247-Q250 PolarHBondContact O-N 2.84Å; Q250-G252 VanDerWaalsContact C-N 3.28Å; Q250-G252 PolarHBondContact O-N 2.86Å; Q250-N253 WeakPolarHBondContact O-CA 3.26Å; Q250-N253 WeakPolarHBondContact O-CB 3.45Å; Q250-N253 PolarHBondContact O-N 3.23Å
251V45.7Very low55.2Low49 Ų4997.3 Ų97.330%0.29749%0.491SS..Hα-helixtrans-71-15.7177.1155.60000113.3F247 G248 R249 N253 R254F247-V251 WeakPolarHBondContact O-CB 3.42Å; F247-V251 WeakPolarHBondContact O-CG2 3.48Å; F247-V251 PolarHBondContact O-N 3.33Å; G248-V251 CarbonylContact O-C 3.54Å; G248-V251 WeakPolarHBondContact O-CA 3.44Å; G248-V251 WeakPolarHBondContact O-CB 3.45Å; G248-V251 PolarHBondContact O-N 3.12Å; G248-V251 VanDerWaalsContact O-N 3.13Å; R249-V251 VanDerWaalsContact C-N 3.31Å; V251-N253 PolarHBondContact O-N 3.37Å; V251-R254 HydrophobicContact CB-CG 4.32Å; V251-R254 HydrophobicContact CG1-CG 3.77Å; V251-R254 HydrophobicContact CG2-CG 4.31Å; V251-R254 WeakPolarHBondContact O-CB 3.14Å; V251-R254 PolarHBondContact O-N 2.93Å
252G45.9Very low54.9Low75 Ų7591.9 Ų91.977%0.77347%0.466SS*.THydrogen-bonded Turntrans-51.9-18.7158.400000112.5G248 Q250G248-G252 PolarHBondContact O-N 3.36Å; G248-G252 VanDerWaalsContact O-N 3.09Å; Q250-G252 VanDerWaalsContact C-N 3.28Å; Q250-G252 PolarHBondContact O-N 2.86Å
253N43.9Very low55.1Low82 Ų8290.2 Ų90.244%0.43947%0.466SS..THydrogen-bonded Turntrans-110.733.1172.1-116.3-16.7000112.9Q250 V251 N255 K256Q250-N253 WeakPolarHBondContact O-CA 3.26Å; Q250-N253 WeakPolarHBondContact O-CB 3.45Å; Q250-N253 PolarHBondContact O-N 3.23Å; V251-N253 PolarHBondContact O-N 3.37Å; N253-N255 PolarHBondContact O-N 3.49Å; N253-K256 HydrophobicContact CB-CB 4.45Å; N253-K256 PolarHBondContact O-N 2.58Å
254R44.7Very low55.9Low170 Ų17091 Ų9164%0.64247%0.47SS*.THydrogen-bonded Turntrans-49.8-29.1176.9-116.6175.4-170.2-171.53.5113.5V251 K256V251-R254 HydrophobicContact CB-CG 4.32Å; V251-R254 HydrophobicContact CG1-CG 3.77Å; V251-R254 HydrophobicContact CG2-CG 4.31Å; V251-R254 WeakPolarHBondContact O-CB 3.14Å; V251-R254 PolarHBondContact O-N 2.93Å; R254-K256 PolarHBondContact O-N 2.9Å
255N49Very low57.1Low168 Ų16890.3 Ų90.390%0.89847%0.469SS*.THydrogen-bonded Turntrans-72.8-7.1176.4-69.9-7.2000114.2N253N253-N255 PolarHBondContact O-N 3.49Å
256K48.4Very low59Low162 Ų16287.4 Ų87.470%0.70445%0.451SS*.THydrogen-bonded Turntrans-110.8-16.1178.9-68.5-166.3-175-178.50114.7N253 R254N253-K256 HydrophobicContact CB-CB 4.45Å; N253-K256 PolarHBondContact O-N 2.58Å; R254-K256 PolarHBondContact O-N 2.9Å
257L50.8Low60.7Low79 Ų7986.8 Ų86.841%0.41445%0.446SS..SBendtrans-71.7132.6171.7-70.9168.8000108.1K259L257-K259 PolarHBondContact O-N 3.1Å
258S50.2Low62.5Low75 Ų7588 Ų8852%0.52446%0.457SS..  trans-53.4135171.2-179.50000108.3D260 C261S258-D260 PolarHBondContact O-N 3.16Å; S258-D260 PolarHBondContact OG-N 3.46Å; S258-C261 PolarHBondContact O-N 3.31Å; S258-C261 PolarHBondContact O-SG 3.07Å
259K53.9Low64.5Low162 Ų16286.3 Ų86.370%0.70444%0.439SS*.THydrogen-bonded Turntrans-58.4-16.2175.7-70.8-176177.4-178.90112.5L257 S360L257-K259 PolarHBondContact O-N 3.1Å; K259-S360 WeakPolarHBondContact O-CA 3.14Å; K259-S360 PolarHBondContact O-OG 3.43Å; K259-S360 VanDerWaalsContact O-OG 3.12Å
260D57.3Low66.7Low113 Ų11376.2 Ų76.260%0.60440%0.401SS*.THydrogen-bonded Turntrans-90.47179-54.9-37.8000114.3S258 S360S258-D260 PolarHBondContact O-N 3.16Å; S258-D260 PolarHBondContact OG-N 3.46Å; D260-S360 VanDerWaalsContact CA-OG 3.31Å; D260-S360 WeakPolarHBondContact CA-OG 3.43Å; D260-S360 PolarHBondContact OD1-OG 3.32Å
261C69.6Low68.7Low36 Ų3672.5 Ų72.524%0.24339%0.385CS..SBendtrans-76.9144.1172.172.40000111.7S258 T263S258-C261 PolarHBondContact O-N 3.31Å; S258-C261 PolarHBondContact O-SG 3.07Å; C261-T263 PolarHBondContact O-N 3.43Å
262L79.3Confident70.7Confident6 Ų670.3 Ų70.33%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-56.4126.4166.3173.962.1000110P208 D209 W212 I264 A357 Y359P208-L262 HydrophobicContact CB-CB 4.28Å; P208-L262 HydrophobicContact CB-CD2 4.19Å; P208-L262 HydrophobicContact CB-CG 4.21Å; P208-L262 HydrophobicContact CG-CB 4.03Å; P208-L262 HydrophobicContact CG-CG 4.49Å; P208-L262 WeakPolarHBondContact CG-O 3.33Å; D209-L262 HydrophobicContact CB-CD2 4.47Å; W212-L262 HydrophobicContact CB-CD2 3.71Å; W212-L262 HydrophobicContact CG-CD2 3.99Å; L262-I264 HydrophobicContact CG-CG1 4.37Å; L262-A357 HydrophobicContact CD1-CB 3.5Å; L262-Y359 HydrophobicContact CB-CD1 4.35Å; L262-Y359 HydrophobicContact CB-CE1 3.72Å; L262-Y359 HydrophobicContact CD1-CD2 4.21Å; L262-Y359 HydrophobicContact CD1-CE1 4.36Å; L262-Y359 HydrophobicContact CD1-CE2 3.67Å
263T82.1Confident72.5Confident56 Ų5667.6 Ų67.634%0.34434%0.341SS..EExtended strand (participates in β ladder)trans-115.6132.3170.163.50000109.9C261 H265 A357 K358C261-T263 PolarHBondContact O-N 3.43Å; T263-H265 PolarHBondContact OG1-NE2 3.43Å; T263-H265 VanDerWaalsContact OG1-NE2 3.14Å; T263-A357 CarbonylContact O-C 3.58Å; T263-A357 WeakPolarHBondContact O-CA 3.26Å; T263-K358 PolarHBondContact N-O 3.22Å; T263-K358 PolarHBondContact O-N 2.97Å; T263-K358 PolarHBondContact OG1-O 2.93Å
264I87.4Confident74.4Confident19 Ų1963.8 Ų63.810%0.09732%0.32CS..EExtended strand (participates in β ladder)trans-105.7141.7178.9-49.9174.4000107.4P208 L211 W212 L215 Y244 L262 F355 Y356P208-I264 HydrophobicContact CB-CD1 4.41Å; L211-I264 HydrophobicContact CB-CD1 4.17Å; L211-I264 HydrophobicContact CD2-CD1 3.96Å; L211-I264 HydrophobicContact CG-CD1 3.91Å; W212-I264 HydrophobicContact CB-CD1 3.82Å; W212-I264 HydrophobicContact CB-CG1 4.49Å; W212-I264 HydrophobicContact CE3-CD1 4.4Å; W212-I264 HydrophobicContact CE3-CG1 4.36Å; W212-I264 HydrophobicContact CE3-CG2 4.18Å; W212-I264 HydrophobicContact CZ3-CG2 4.44Å; L215-I264 HydrophobicContact CD1-CD1 4.33Å; L215-I264 HydrophobicContact CD1-CG2 3.79Å; Y244-I264 VanDerWaalsContact CE1-O 3.28Å; Y244-I264 WeakPolarHBondContact CE1-O 3.07Å; Y244-I264 WeakPolarHBondContact OH-CG2 3.5Å; Y244-I264 PolarHBondContact OH-O 2.81Å; L262-I264 HydrophobicContact CG-CG1 4.37Å; I264-F355 HydrophobicContact CG2-CB 4.42Å; I264-F355 HydrophobicContact CG2-CD1 4.37Å; I264-Y356 CarbonylContact C-O 3.54Å; I264-Y356 WeakPolarHBondContact CA-O 3.21Å
265H88.5Confident76.4Confident47 Ų4756 Ų5622%0.21829%0.291CS..EExtended strand (participates in β ladder)trans-133.2150.3176.8-57.5-95.6000110Y244 T263 F355 Y356Y244-H265 WeakPolarHBondContact OH-CA 3.24Å; Y244-H265 PolarHBondContact OH-N 3.22Å; T263-H265 PolarHBondContact OG1-NE2 3.43Å; T263-H265 VanDerWaalsContact OG1-NE2 3.14Å; H265-F355 CarbonylContact O-C 3.5Å; H265-F355 VanDerWaalsContact O-CA 3.3Å; H265-F355 WeakPolarHBondContact O-CA 3.5Å; H265-Y356 HydrophobicContact CB-CD1 4.11Å; H265-Y356 HydrophobicContact CB-CD2 4.07Å; H265-Y356 HydrophobicContact CB-CE1 3.58Å; H265-Y356 HydrophobicContact CB-CE2 3.5Å; H265-Y356 VanDerWaalsContact CB-CE2 3.5Å; H265-Y356 HydrophobicContact CB-CG 4.35Å; H265-Y356 AromaticContact CD2-CE2 3.49Å; H265-Y356 VanDerWaalsContact CD2-CE2 3.49Å; H265-Y356 WeakPolarHBondContact CD2-CE2 3.47Å; H265-Y356 AromaticContact CG-CE2 3.6Å; H265-Y356 AromaticContact CG-CZ 3.67Å; H265-Y356 PolarHBondContact N-O 2.93Å; H265-Y356 PolarHBondContact O-N 2.84Å
266F91.6Very high78.2Confident59 Ų5948.9 Ų48.926%0.25925%0.251SS..EExtended strand (participates in β ladder)trans-111.3128173.2-177.6-100.4000109.5V237 N240 Y244 G353 S354 F355V237-F266 HydrophobicContact CG2-CZ 4.4Å; N240-F266 HydrophobicContact CB-CB 4.35Å; N240-F266 HydrophobicContact CB-CD1 4.29Å; N240-F266 HydrophobicContact CB-CD2 4.28Å; N240-F266 HydrophobicContact CB-CG 4.05Å; N240-F266 VanDerWaalsContact OD1-CB 3.23Å; N240-F266 WeakPolarHBondContact OD1-CB 3.31Å; Y244-F266 HydrophobicContact CE2-CB 4.5Å; Y244-F266 PolarHBondContact OH-N 3.31Å; F266-G353 VanDerWaalsContact CE2-C 3.5Å; F266-S354 WeakPolarHBondContact CA-O 3.41Å; F266-S354 VanDerWaalsContact CD2-O 3.22Å; F266-S354 WeakPolarHBondContact CD2-O 3.49Å; F266-F355 HydrophobicContact CB-CD1 4.09Å; F266-F355 HydrophobicContact CB-CE1 4.06Å; F266-F355 AromaticContact CD2-CD1 3.76Å; F266-F355 HydrophobicContact CD2-CD1 3.76Å; F266-F355 HydrophobicContact CD2-CD2 4.23Å; F266-F355 AromaticContact CD2-CE1 3.46Å; F266-F355 HydrophobicContact CD2-CE1 3.46Å; F266-F355 VanDerWaalsContact CD2-CE1 3.46Å; F266-F355 AromaticContact CD2-CE2 3.97Å; F266-F355 HydrophobicContact CD2-CE2 3.97Å; F266-F355 HydrophobicContact CD2-CG 4.14Å; F266-F355 AromaticContact CD2-CZ 3.59Å; F266-F355 HydrophobicContact CD2-CZ 3.59Å; F266-F355 HydrophobicContact CE2-CE1 4.31Å; F266-F355 HydrophobicContact CE2-CE2 4.12Å; F266-F355 AromaticContact CE2-CZ 3.97Å; F266-F355 HydrophobicContact CE2-CZ 3.97Å; F266-F355 HydrophobicContact CG-CD1 4.42Å; F266-F355 HydrophobicContact CG-CE1 4.15Å
267E90.6Very high79.9Confident59 Ų5942.6 Ų42.628%0.27623%0.225SC..EExtended strand (participates in β ladder)trans-150.5159-178.3-162.4-174.815200109.5K335 S354 Y356 K364E267-K335 IonicContact OE1-NZ 3.09Å; E267-K335 PolarHBondContact OE1-NZ 3.49Å; E267-S354 PolarHBondContact N-O 3.36Å; E267-S354 PolarHBondContact O-N 2.89Å; E267-S354 VanDerWaalsContact O-O 3.09Å; E267-Y356 HydrophobicContact CB-CD1 4.34Å; E267-Y356 HydrophobicContact CB-CE1 3.83Å; E267-Y356 VanDerWaalsContact OE2-CE1 3.29Å; E267-Y356 WeakPolarHBondContact OE2-CE1 3.46Å; E267-K364 IonicContact OE1-NZ 2.77Å; E267-K364 IonicContact OE2-NZ 3.78Å; E267-K364 PolarHBondContact OE2-NZ 3.21Å
268T91.6Very high81.5Confident69 Ų6941.1 Ų41.142%0.42321%0.214SC..EExtended strand (participates in β ladder)trans-66.2140.5164.9570000109.7K335 Y352T268-K335 WeakPolarHBondContact O-CE 3.37Å; T268-K335 PolarHBondContact O-NZ 2.98Å; T268-K335 PolarHBondContact OG1-NZ 2.85Å; T268-Y352 CarbonylContact C-O 3.59Å; T268-Y352 WeakPolarHBondContact CA-O 3.3Å
269E91.2Very high83.4Confident1 Ų137.9 Ų37.91%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-136.1159.4176.4-60.8-157.7148.200110.4R276 Y352 S366E269-R276 VanDerWaalsContact CD-NH2 3.33Å; E269-R276 IonicContact OE1-CZ 3.38Å; E269-R276 VanDerWaalsContact OE1-CZ 3.28Å; E269-R276 IonicContact OE1-NH1 2.77Å; E269-R276 PolarHBondContact OE1-NH1 3.33Å; E269-R276 VanDerWaalsContact OE1-NH1 3.09Å; E269-R276 IonicContact OE1-NH2 3.72Å; E269-R276 PolarHBondContact OE1-NH2 2.9Å; E269-R276 IonicContact OE2-NH1 3.28Å; E269-R276 PolarHBondContact OE2-NH1 2.86Å; E269-R276 IonicContact OE2-NH2 3.99Å; E269-Y352 HydrophobicContact CB-CD1 4.39Å; E269-Y352 HydrophobicContact CB-CE1 3.84Å; E269-Y352 PolarHBondContact N-O 3.37Å; E269-Y352 VanDerWaalsContact O-CD1 3.3Å; E269-Y352 WeakPolarHBondContact O-CD1 3.25Å; E269-Y352 PolarHBondContact O-N 3.37Å; E269-S366 VanDerWaalsContact OE2-CB 3.32Å; E269-S366 WeakPolarHBondContact OE2-CB 3.26Å; E269-S366 PolarHBondContact OE2-OG 3.3Å
270L91.6Very high85.3Confident3 Ų330.1 Ų30.12%0.01616%0.157CC..EExtended strand (participates in β ladder)trans-80.8127.2168.5-63.9171.8000108.4I272 Y275 K335 L338 E339 F342 V350 I351L270-I272 HydrophobicContact CB-CD1 4.04Å; L270-I272 HydrophobicContact CB-CG1 3.7Å; L270-I272 HydrophobicContact CD1-CD1 3.94Å; L270-I272 PolarHBondContact O-N 3.5Å; L270-Y275 HydrophobicContact CB-CE1 4.27Å; L270-K335 HydrophobicContact CD1-CG 4.47Å; L270-K335 HydrophobicContact CG-CG 4.42Å; L270-L338 HydrophobicContact CD1-CB 3.88Å; L270-L338 HydrophobicContact CD1-CD1 3.77Å; L270-L338 HydrophobicContact CD1-CG 4.5Å; L270-E339 HydrophobicContact CD2-CG 3.57Å; L270-E339 HydrophobicContact CG-CG 4.49Å; L270-F342 HydrophobicContact CD2-CD2 4.05Å; L270-F342 HydrophobicContact CD2-CE2 4.03Å; L270-V350 CarbonylContact C-O 3.55Å; L270-V350 VanDerWaalsContact CA-O 3.29Å; L270-V350 WeakPolarHBondContact CA-O 3.22Å; L270-V350 HydrophobicContact CD2-CG1 4.35Å; L270-I351 HydrophobicContact CD2-CG1 4.27Å
271L88.9Confident86.9Confident32 Ų3225.6 Ų25.617%0.16813%0.131CC..  trans-7758171.9-165.769.3000109.9L222 D349 V350 Y352L222-L271 HydrophobicContact CD2-CD1 4.3Å; L271-D349 WeakPolarHBondContact CD2-O 3.46Å; L271-V350 PolarHBondContact N-O 3Å; L271-Y352 HydrophobicContact CB-CD1 3.76Å; L271-Y352 HydrophobicContact CB-CE1 3.9Å; L271-Y352 HydrophobicContact CD1-CD1 4.01Å; L271-Y352 HydrophobicContact CD1-CD2 4.42Å; L271-Y352 HydrophobicContact CD1-CE1 3.64Å; L271-Y352 HydrophobicContact CD1-CE2 4.08Å; L271-Y352 HydrophobicContact CD1-CG 4.42Å; L271-Y352 HydrophobicContact CG-CD1 4.45Å; L271-Y352 HydrophobicContact CG-CE1 4.39Å
272I88.1Confident87.8Confident3 Ų325.4 Ų25.42%0.01513%0.128CC..SBendtrans-119.9125.9170.655.6175000108.9L270 L274 Y275 I284 S287 T290 F342 V350L270-I272 HydrophobicContact CB-CD1 4.04Å; L270-I272 HydrophobicContact CB-CG1 3.7Å; L270-I272 HydrophobicContact CD1-CD1 3.94Å; L270-I272 PolarHBondContact O-N 3.5Å; I272-L274 PolarHBondContact O-N 2.8Å; I272-Y275 HydrophobicContact CD1-CD1 4.09Å; I272-Y275 HydrophobicContact CD1-CG 3.85Å; I272-Y275 HydrophobicContact CG1-CD1 3.6Å; I272-Y275 HydrophobicContact CG1-CE1 4.39Å; I272-Y275 HydrophobicContact CG1-CG 3.86Å; I272-Y275 WeakPolarHBondContact O-CD1 3.43Å; I272-I284 HydrophobicContact CD1-CG1 4.1Å; I272-I284 HydrophobicContact CG2-CG1 4.35Å; I272-S287 WeakPolarHBondContact CA-OG 3.22Å; I272-S287 WeakPolarHBondContact CB-OG 3.45Å; I272-T290 HydrophobicContact CG2-CG2 4.22Å; I272-F342 HydrophobicContact CG2-CZ 4.3Å; I272-V350 HydrophobicContact CG2-CG1 4.28Å
273S83.7Confident88.3Confident19 Ų1925.2 Ų25.213%0.13313%0.127CC..THydrogen-bonded Turntrans-54.8119.9-174.4-62.30000111.8Y275 S283 S287 E372S273-Y275 VanDerWaalsContact C-N 3.28Å; S273-Y275 PolarHBondContact O-N 3.22Å; S273-Y275 VanDerWaalsContact O-N 3.12Å; S273-S283 WeakPolarHBondContact O-CB 3.32Å; S273-S283 PolarHBondContact O-OG 2.91Å; S273-S287 PolarHBondContact N-OG 3.22Å; S273-E372 WeakPolarHBondContact CA-OE2 3.28Å; S273-E372 WeakPolarHBondContact CB-OE1 3.43Å; S273-E372 WeakPolarHBondContact CB-OE2 3.28Å; S273-E372 PolarHBondContact OG-OE1 3.24Å; S273-E372 PolarHBondContact OG-OE2 3.36Å
274L84.3Confident88.7Confident2 Ų222.5 Ų22.51%0.0111%0.111CC..THydrogen-bonded Turntrans55.727169.5-54.5-163.5000117.3I272 R276 H277 W278 D369 E372 L407 M411I272-L274 PolarHBondContact O-N 2.8Å; L274-R276 PolarHBondContact O-N 3.36Å; L274-H277 HydrophobicContact CB-CB 4.37Å; L274-H277 CarbonylContact O-C 3.53Å; L274-H277 PolarHBondContact O-N 3.45Å; L274-W278 PolarHBondContact O-N 3.21Å; L274-W278 VanDerWaalsContact O-N 3.08Å; L274-D369 VanDerWaalsContact CA-OD1 3.29Å; L274-D369 WeakPolarHBondContact CA-OD1 3.48Å; L274-D369 HydrophobicContact CD2-CB 3.56Å; L274-D369 WeakPolarHBondContact CD2-OD1 3.48Å; L274-D369 PolarHBondContact N-OD1 3.02Å; L274-E372 HydrophobicContact CD2-CB 4.35Å; L274-L407 HydrophobicContact CD1-CB 3.97Å; L274-L407 HydrophobicContact CD1-CD2 3.67Å; L274-L407 HydrophobicContact CD1-CG 4.3Å; L274-L407 HydrophobicContact CD2-CD1 4.35Å; L274-L407 HydrophobicContact CD2-CD2 3.59Å; L274-L407 HydrophobicContact CG-CD2 4.31Å; L274-M411 HydrophobicContact CB-CE 4.43Å; L274-M411 HydrophobicContact CB-SD 4.38Å; L274-M411 HydrophobicContact CD1-CE 3.26Å; L274-M411 HydrophobicContact CD1-CG 3.79Å; L274-M411 HydrophobicContact CD1-SD 3.21Å; L274-M411 WeakPolarHBondContact CD1-SD 3.19Å; L274-M411 HydrophobicContact CD2-CE 4.29Å; L274-M411 HydrophobicContact CG-CE 3.37Å; L274-M411 HydrophobicContact CG-SD 3.77Å
275Y87.1Confident88.7Confident5 Ų525.1 Ų25.12%0.0212%0.119CC..THydrogen-bonded Turntrans-61.7-12.9-173.777.1-88000115.3L270 I272 S273 L280 S283 Y323L270-Y275 HydrophobicContact CB-CE1 4.27Å; I272-Y275 HydrophobicContact CD1-CD1 4.09Å; I272-Y275 HydrophobicContact CD1-CG 3.85Å; I272-Y275 HydrophobicContact CG1-CD1 3.6Å; I272-Y275 HydrophobicContact CG1-CE1 4.39Å; I272-Y275 HydrophobicContact CG1-CG 3.86Å; I272-Y275 WeakPolarHBondContact O-CD1 3.43Å; S273-Y275 VanDerWaalsContact C-N 3.28Å; S273-Y275 PolarHBondContact O-N 3.22Å; S273-Y275 VanDerWaalsContact O-N 3.12Å; Y275-L280 HydrophobicContact CD2-CD2 4.2Å; Y275-S283 WeakPolarHBondContact CA-OG 3.19Å; Y275-S283 PolarHBondContact N-OG 3.31Å; Y275-Y323 HydrophobicContact CD2-CD2 4.43Å; Y275-Y323 HydrophobicContact CD2-CE2 4.18Å; Y275-Y323 HydrophobicContact CE2-CE2 4.44Å; Y275-Y323 WeakPolarHBondContact O-CB 3.32Å; Y275-Y323 WeakPolarHBondContact O-CD2 3.31Å
276R86.3Confident88.4Confident19 Ų1924.5 Ų24.57%0.07212%0.116CC..THydrogen-bonded Turntrans-89.3-10.8173.4-61.9-178.3179.9105.1-13.2114.1E269 L274 Y323 N324E269-R276 VanDerWaalsContact CD-NH2 3.33Å; E269-R276 IonicContact OE1-CZ 3.38Å; E269-R276 VanDerWaalsContact OE1-CZ 3.28Å; E269-R276 IonicContact OE1-NH1 2.77Å; E269-R276 PolarHBondContact OE1-NH1 3.33Å; E269-R276 VanDerWaalsContact OE1-NH1 3.09Å; E269-R276 IonicContact OE1-NH2 3.72Å; E269-R276 PolarHBondContact OE1-NH2 2.9Å; E269-R276 IonicContact OE2-NH1 3.28Å; E269-R276 PolarHBondContact OE2-NH1 2.86Å; E269-R276 IonicContact OE2-NH2 3.99Å; L274-R276 PolarHBondContact O-N 3.36Å; R276-Y323 HydrophobicContact CB-CD1 4.41Å; R276-Y323 HydrophobicContact CG-CE1 4.29Å; R276-N324 PolarHBondContact O-ND2 2.87Å; R276-N324 PolarHBondContact O-OD1 3.44Å
277H83.7Confident88.1Confident31 Ų3121.8 Ų21.814%0.14410%0.104CC..THydrogen-bonded Turntrans-121.71.2-174.9-54.8-72.1000112.5L274 D369 L407L274-H277 HydrophobicContact CB-CB 4.37Å; L274-H277 CarbonylContact O-C 3.53Å; L274-H277 PolarHBondContact O-N 3.45Å; H277-D369 IonicContact CD2-OD2 2.71Å; H277-D369 IonicContact NE2-OD2 3.09Å; H277-L407 HydrophobicContact CB-CB 4.41Å; H277-L407 HydrophobicContact CB-CD1 3.89Å; H277-L407 WeakPolarHBondContact CD2-CD1 3.46Å
278W84.5Confident87.4Confident48 Ų4824.8 Ų24.818%0.18211%0.113CC..SBendtrans-144.2-171-179.4-157.38.9000111.9L274 D282 F286 E322 Y323 M411 L415L274-W278 PolarHBondContact O-N 3.21Å; L274-W278 VanDerWaalsContact O-N 3.08Å; W278-D282 HydrophobicContact CD2-CB 3.6Å; W278-D282 HydrophobicContact CE3-CB 3.9Å; W278-D282 HydrophobicContact CG-CB 4.28Å; W278-D282 HydrophobicContact CH2-CB 3.89Å; W278-D282 HydrophobicContact CZ2-CB 3.55Å; W278-D282 HydrophobicContact CZ3-CB 4.05Å; W278-D282 PolarHBondContact NE1-OD2 3.32Å; W278-F286 AromaticContact CH2-CD2 3.44Å; W278-F286 HydrophobicContact CH2-CD2 3.44Å; W278-F286 VanDerWaalsContact CH2-CD2 3.44Å; W278-F286 AromaticContact CH2-CE2 3.43Å; W278-F286 HydrophobicContact CH2-CE2 3.43Å; W278-F286 VanDerWaalsContact CH2-CE2 3.43Å; W278-F286 HydrophobicContact CZ2-CD2 4.33Å; W278-F286 AromaticContact CZ2-CE2 3.97Å; W278-F286 HydrophobicContact CZ2-CE2 3.97Å; W278-F286 AromaticContact CZ3-CD2 3.54Å; W278-F286 HydrophobicContact CZ3-CD2 3.54Å; W278-F286 HydrophobicContact CZ3-CE2 4.03Å; W278-E322 WeakPolarHBondContact CA-OE2 3.11Å; W278-Y323 WeakPolarHBondContact O-CB 3.5Å; W278-Y323 PolarHBondContact O-N 2.84Å; W278-M411 HydrophobicContact CE3-SD 3.9Å; W278-M411 HydrophobicContact CH2-CB 4.44Å; W278-M411 HydrophobicContact CZ3-CB 4.24Å; W278-M411 HydrophobicContact CZ3-SD 3.73Å; W278-L415 HydrophobicContact CH2-CD1 3.71Å; W278-L415 HydrophobicContact CZ3-CD1 4.3Å
279T90.4Very high86.6Confident6 Ų623.6 Ų23.64%0.03711%0.106CC..BIsolated β-bridgetrans-78.8141.1174.782.90000110Y281 D282 S283 C319 R320 Q321T279-Y281 PolarHBondContact O-N 3.42Å; T279-D282 PolarHBondContact O-N 3.34Å; T279-D282 WeakPolarHBondContact OG1-CB 3.48Å; T279-D282 PolarHBondContact OG1-N 2.86Å; T279-D282 PolarHBondContact OG1-OD2 3.01Å; T279-S283 PolarHBondContact O-N 3.2Å; T279-S283 PolarHBondContact O-OG 3.48Å; T279-C319 WeakPolarHBondContact CB-O 3.24Å; T279-R320 WeakPolarHBondContact CG2-O 3.28Å; T279-Q321 WeakPolarHBondContact CA-O 3.35Å; T279-Q321 WeakPolarHBondContact CB-O 3.36Å; T279-Q321 WeakPolarHBondContact CG2-O 3.31Å
280L92.4Very high86.3Confident0 Ų023.5 Ų23.50%011%0.105CC..Hα-helixtrans-57.6-35.6175.2-70.3-178.9000111.5Y275 I284 L314 C319 Y323 M326 L338Y275-L280 HydrophobicContact CD2-CD2 4.2Å; L280-I284 WeakPolarHBondContact O-CD1 3.47Å; L280-I284 VanDerWaalsContact O-CG1 3.27Å; L280-I284 WeakPolarHBondContact O-CG1 3.12Å; L280-I284 PolarHBondContact O-N 2.92Å; L280-I284 VanDerWaalsContact O-N 3.09Å; L280-L314 HydrophobicContact CD1-CD1 3.98Å; L280-C319 HydrophobicContact CB-CB 4.34Å; L280-C319 PolarHBondContact N-O 3.33Å; L280-Y323 HydrophobicContact CD1-CD2 4.47Å; L280-Y323 HydrophobicContact CD2-CD2 3.72Å; L280-Y323 HydrophobicContact CD2-CE2 4.15Å; L280-Y323 HydrophobicContact CG-CD2 4.04Å; L280-M326 HydrophobicContact CD1-CE 3.8Å; L280-M326 HydrophobicContact CD1-SD 3.67Å; L280-M326 HydrophobicContact CG-SD 4Å; L280-L338 HydrophobicContact CD1-CD1 4.44Å; L280-L338 HydrophobicContact CD2-CD1 4.29Å
281Y91.9Very high85.8Confident17 Ų1723.5 Ų23.57%0.06711%0.105CC..Hα-helixtrans-59.1-53.1176.9-179.3-90.7000111T279 I284 R285 S302 L305 N306 L309 C319 R320T279-Y281 PolarHBondContact O-N 3.42Å; Y281-I284 PolarHBondContact O-N 3.49Å; Y281-R285 WeakPolarHBondContact O-CB 3.32Å; Y281-R285 PolarHBondContact O-N 3.48Å; Y281-S302 PolarHBondContact OH-OG 3.05Å; Y281-S302 VanDerWaalsContact OH-OG 3.08Å; Y281-L305 HydrophobicContact CD2-CD2 4.09Å; Y281-L305 HydrophobicContact CD2-CG 4.34Å; Y281-L305 HydrophobicContact CE2-CD2 3.77Å; Y281-L305 HydrophobicContact CE2-CG 4.07Å; Y281-N306 WeakPolarHBondContact CE2-OD1 3.27Å; Y281-L309 HydrophobicContact CD2-CD1 3.71Å; Y281-C319 WeakPolarHBondContact CB-O 3.4Å; Y281-C319 PolarHBondContact N-O 3.38Å; Y281-R320 HydrophobicContact CG-CG 4.36Å
282D88.3Confident85.2Confident33 Ų3322.9 Ų22.918%0.17610%0.104CC..Hα-helixtrans-70.8-40.8-176.8-72.3-40.5000112.1W278 T279 I284 R285 F286W278-D282 HydrophobicContact CD2-CB 3.6Å; W278-D282 HydrophobicContact CE3-CB 3.9Å; W278-D282 HydrophobicContact CG-CB 4.28Å; W278-D282 HydrophobicContact CH2-CB 3.89Å; W278-D282 HydrophobicContact CZ2-CB 3.55Å; W278-D282 HydrophobicContact CZ3-CB 4.05Å; W278-D282 PolarHBondContact NE1-OD2 3.32Å; T279-D282 PolarHBondContact O-N 3.34Å; T279-D282 WeakPolarHBondContact OG1-CB 3.48Å; T279-D282 PolarHBondContact OG1-N 2.86Å; T279-D282 PolarHBondContact OG1-OD2 3.01Å; D282-I284 VanDerWaalsContact C-N 3.35Å; D282-I284 PolarHBondContact O-N 3.42Å; D282-R285 WeakPolarHBondContact O-CA 3.28Å; D282-R285 WeakPolarHBondContact O-CB 3.42Å; D282-R285 PolarHBondContact O-N 3.11Å; D282-F286 HydrophobicContact CB-CD2 3.84Å; D282-F286 HydrophobicContact CB-CE2 3.62Å; D282-F286 WeakPolarHBondContact O-CD2 3.45Å; D282-F286 WeakPolarHBondContact O-CG 3.24Å; D282-F286 PolarHBondContact O-N 3.07Å; D282-F286 WeakPolarHBondContact OD1-CE2 3.46Å
283S90.1Very high85Confident1 Ų126 Ų261%0.00712%0.117CC..Hα-helixtrans-54.4-49.8173.7-68.90000111.8S273 Y275 T279 R285 F286 S287S273-S283 WeakPolarHBondContact O-CB 3.32Å; S273-S283 PolarHBondContact O-OG 2.91Å; Y275-S283 WeakPolarHBondContact CA-OG 3.19Å; Y275-S283 PolarHBondContact N-OG 3.31Å; T279-S283 PolarHBondContact O-N 3.2Å; T279-S283 PolarHBondContact O-OG 3.48Å; S283-R285 VanDerWaalsContact C-N 3.32Å; S283-R285 PolarHBondContact O-N 2.95Å; S283-F286 PolarHBondContact O-N 3.03Å; S283-S287 WeakPolarHBondContact O-CB 3.31Å; S283-S287 PolarHBondContact O-N 2.95Å; S283-S287 PolarHBondContact O-OG 3.42Å
284I90.6Very high85.1Confident0 Ų025.2 Ų25.20%011%0.112CC..Hα-helixtrans-69.4-33.1177.2-61.5166.3000111I272 L280 Y281 D282 F286 T290 F294 L305 F308 L309 L338 F342I272-I284 HydrophobicContact CD1-CG1 4.1Å; I272-I284 HydrophobicContact CG2-CG1 4.35Å; L280-I284 WeakPolarHBondContact O-CD1 3.47Å; L280-I284 VanDerWaalsContact O-CG1 3.27Å; L280-I284 WeakPolarHBondContact O-CG1 3.12Å; L280-I284 PolarHBondContact O-N 2.92Å; L280-I284 VanDerWaalsContact O-N 3.09Å; Y281-I284 PolarHBondContact O-N 3.49Å; D282-I284 VanDerWaalsContact C-N 3.35Å; D282-I284 PolarHBondContact O-N 3.42Å; I284-F286 VanDerWaalsContact C-N 3.32Å; I284-F286 PolarHBondContact O-N 3.11Å; I284-T290 HydrophobicContact CG2-CG2 4.13Å; I284-T290 VanDerWaalsContact O-CB 3.27Å; I284-T290 WeakPolarHBondContact O-CB 3.36Å; I284-T290 PolarHBondContact O-OG1 3.37Å; I284-F294 HydrophobicContact CG2-CD2 4.18Å; I284-F294 HydrophobicContact CG2-CE2 3.76Å; I284-L305 HydrophobicContact CB-CD1 4.12Å; I284-L305 HydrophobicContact CG2-CD1 3.45Å; I284-L305 VanDerWaalsContact CG2-CD1 3.45Å; I284-F308 HydrophobicContact CD1-CE1 4.09Å; I284-L309 HydrophobicContact CD1-CD2 3.87Å; I284-L338 HydrophobicContact CD1-CD1 4.48Å; I284-L338 HydrophobicContact CD1-CD2 3.82Å; I284-F342 HydrophobicContact CD1-CZ 4.31Å; I284-F342 HydrophobicContact CG1-CZ 4.26Å
285R87.1Confident84.9Confident74 Ų7430.2 Ų30.228%0.27913%0.13SC..Hα-helixtrans-65.1-36.4179.9-167.4-175.9173.8-130.6-11.4112.5Y281 D282 S283 A291 S296 L305Y281-R285 WeakPolarHBondContact O-CB 3.32Å; Y281-R285 PolarHBondContact O-N 3.48Å; D282-R285 WeakPolarHBondContact O-CA 3.28Å; D282-R285 WeakPolarHBondContact O-CB 3.42Å; D282-R285 PolarHBondContact O-N 3.11Å; S283-R285 VanDerWaalsContact C-N 3.32Å; S283-R285 PolarHBondContact O-N 2.95Å; R285-A291 WeakPolarHBondContact O-CB 3.33Å; R285-S296 PolarHBondContact NE-O 3.49Å; R285-S296 PolarHBondContact NH2-O 3.17Å; R285-S296 VanDerWaalsContact O-CB 3.25Å; R285-S296 WeakPolarHBondContact O-CB 3.31Å; R285-S296 PolarHBondContact O-OG 3.09Å; R285-L305 HydrophobicContact CB-CD2 3.89Å; R285-L305 HydrophobicContact CG-CD2 4.18Å
286F82.9Confident84.6Confident34 Ų3430.4 Ų30.415%0.14913%0.132CC..Hα-helixtrans-107.9-16.4-170-58.1-57000114.9W278 D282 S283 I284 L415W278-F286 AromaticContact CH2-CD2 3.44Å; W278-F286 HydrophobicContact CH2-CD2 3.44Å; W278-F286 VanDerWaalsContact CH2-CD2 3.44Å; W278-F286 AromaticContact CH2-CE2 3.43Å; W278-F286 HydrophobicContact CH2-CE2 3.43Å; W278-F286 VanDerWaalsContact CH2-CE2 3.43Å; W278-F286 HydrophobicContact CZ2-CD2 4.33Å; W278-F286 AromaticContact CZ2-CE2 3.97Å; W278-F286 HydrophobicContact CZ2-CE2 3.97Å; W278-F286 AromaticContact CZ3-CD2 3.54Å; W278-F286 HydrophobicContact CZ3-CD2 3.54Å; W278-F286 HydrophobicContact CZ3-CE2 4.03Å; D282-F286 HydrophobicContact CB-CD2 3.84Å; D282-F286 HydrophobicContact CB-CE2 3.62Å; D282-F286 WeakPolarHBondContact O-CD2 3.45Å; D282-F286 WeakPolarHBondContact O-CG 3.24Å; D282-F286 PolarHBondContact O-N 3.07Å; D282-F286 WeakPolarHBondContact OD1-CE2 3.46Å; S283-F286 PolarHBondContact O-N 3.03Å; I284-F286 VanDerWaalsContact C-N 3.32Å; I284-F286 PolarHBondContact O-N 3.11Å; F286-L415 HydrophobicContact CB-CD1 4.43Å; F286-L415 HydrophobicContact CD1-CD1 3.73Å; F286-L415 HydrophobicContact CD1-CD2 4.11Å; F286-L415 HydrophobicContact CD1-CG 3.58Å; F286-L415 HydrophobicContact CD2-CD1 3.6Å; F286-L415 HydrophobicContact CD2-CG 4.32Å; F286-L415 HydrophobicContact CE1-CD1 3.73Å; F286-L415 HydrophobicContact CE1-CD2 3.32Å; F286-L415 HydrophobicContact CE1-CG 3.34Å; F286-L415 HydrophobicContact CE2-CD1 3.61Å; F286-L415 HydrophobicContact CE2-CD2 4.1Å; F286-L415 HydrophobicContact CE2-CG 4.14Å; F286-L415 HydrophobicContact CG-CD1 3.65Å; F286-L415 HydrophobicContact CG-CG 4.06Å; F286-L415 HydrophobicContact CZ-CD1 3.65Å; F286-L415 HydrophobicContact CZ-CD2 3.3Å; F286-L415 HydrophobicContact CZ-CG 3.63Å
287S83.9Confident84.2Confident1 Ų133.6 Ų33.61%0.00715%0.145CC..SBendtrans-61.3139.2176.1-59.10000111.5I272 S273 S283 T289 T290 A291I272-S287 WeakPolarHBondContact CA-OG 3.22Å; I272-S287 WeakPolarHBondContact CB-OG 3.45Å; S273-S287 PolarHBondContact N-OG 3.22Å; S283-S287 WeakPolarHBondContact O-CB 3.31Å; S283-S287 PolarHBondContact O-N 2.95Å; S283-S287 PolarHBondContact O-OG 3.42Å; S287-T289 VanDerWaalsContact C-N 3.34Å; S287-T289 PolarHBondContact O-N 3.24Å; S287-T290 WeakPolarHBondContact CB-OG1 3.35Å; S287-T290 PolarHBondContact O-N 2.99Å; S287-T290 PolarHBondContact O-OG1 3.41Å; S287-A291 WeakPolarHBondContact O-CB 3.17Å; S287-A291 PolarHBondContact O-N 3.47Å
288R76.5Confident84.3Confident122 Ų12234.5 Ų34.546%0.4615%0.152SC..Hα-helixtrans-56.5-43.3-171.1-83.2176-88.4-162.5-9.3114.4V223 S292 V418V223-R288 PolarHBondContact O-NH1 3.08Å; V223-R288 PolarHBondContact O-NH2 2.9Å; R288-S292 WeakPolarHBondContact O-CB 3.4Å; R288-S292 PolarHBondContact O-OG 3.32Å; R288-S292 VanDerWaalsContact O-OG 3.05Å; R288-V418 HydrophobicContact CG-CG1 4.49Å
289T75.7Confident84.4Confident44 Ų4439.3 Ų39.327%0.2718%0.181SC..Hα-helixtrans-66.6-48.6-178.549.60000111S287 F293S287-T289 VanDerWaalsContact C-N 3.34Å; S287-T289 PolarHBondContact O-N 3.24Å; T289-F293 PolarHBondContact O-N 2.87Å
290T84.4Confident84.4Confident0 Ų047.8 Ų47.80%022%0.217CC..Hα-helixtrans-82.5-41.7-174.654.30000113.2I272 I284 S287 S292 F293 F294 F342I272-T290 HydrophobicContact CG2-CG2 4.22Å; I284-T290 HydrophobicContact CG2-CG2 4.13Å; I284-T290 VanDerWaalsContact O-CB 3.27Å; I284-T290 WeakPolarHBondContact O-CB 3.36Å; I284-T290 PolarHBondContact O-OG1 3.37Å; S287-T290 WeakPolarHBondContact CB-OG1 3.35Å; S287-T290 PolarHBondContact O-N 2.99Å; S287-T290 PolarHBondContact O-OG1 3.41Å; T290-S292 VanDerWaalsContact C-N 3.25Å; T290-S292 PolarHBondContact O-N 3.24Å; T290-F293 WeakPolarHBondContact O-CB 3.3Å; T290-F293 PolarHBondContact O-N 3.33Å; T290-F294 HydrophobicContact CG2-CE2 4.49Å; T290-F294 WeakPolarHBondContact O-CD2 3.45Å; T290-F294 PolarHBondContact O-N 3.03Å; T290-F342 HydrophobicContact CG2-CD1 4.5Å; T290-F342 HydrophobicContact CG2-CE1 3.62Å; T290-F342 HydrophobicContact CG2-CZ 4.11Å
291A81.2Confident84.2Confident2 Ų247.9 Ų47.92%0.01722%0.219CC..Hα-helixtrans-54.9-45.117900000111.2R285 S287 R295 S296 W297 V418R285-A291 WeakPolarHBondContact O-CB 3.33Å; S287-A291 WeakPolarHBondContact O-CB 3.17Å; S287-A291 PolarHBondContact O-N 3.47Å; A291-R295 VanDerWaalsContact O-CA 3.27Å; A291-R295 WeakPolarHBondContact O-CA 3.38Å; A291-R295 PolarHBondContact O-N 3.25Å; A291-S296 PolarHBondContact O-N 3.23Å; A291-W297 WeakPolarHBondContact O-CZ3 3.31Å; A291-V418 HydrophobicContact CB-CG1 4.22Å
292S76.4Confident84Confident20 Ų2048.4 Ų48.414%0.1423%0.225CC..Hα-helixtrans-66.4-36177.2-70.30000113.5R288 T290R288-S292 WeakPolarHBondContact O-CB 3.4Å; R288-S292 PolarHBondContact O-OG 3.32Å; R288-S292 VanDerWaalsContact O-OG 3.05Å; T290-S292 VanDerWaalsContact C-N 3.25Å; T290-S292 PolarHBondContact O-N 3.24Å
293F82.8Confident84.3Confident67 Ų6750 Ų5029%0.29424%0.236SC..Hα-helixtrans-71.6-48.3178.3175.8-89.3000111.7T289 T290 R295 Y345 I347T289-F293 PolarHBondContact O-N 2.87Å; T290-F293 WeakPolarHBondContact O-CB 3.3Å; T290-F293 PolarHBondContact O-N 3.33Å; F293-R295 VanDerWaalsContact C-N 3.33Å; F293-Y345 AromaticContact CE1-CD1 3.84Å; F293-Y345 HydrophobicContact CE1-CD1 3.84Å; F293-Y345 AromaticContact CZ-CD1 3.99Å; F293-Y345 HydrophobicContact CZ-CD1 3.99Å; F293-Y345 WeakPolarHBondContact CZ-O 3.35Å; F293-I347 HydrophobicContact CD1-CD1 3.54Å; F293-I347 HydrophobicContact CD1-CG1 3.85Å; F293-I347 HydrophobicContact CD2-CD1 4.46Å; F293-I347 HydrophobicContact CD2-CG1 3.84Å; F293-I347 HydrophobicContact CE1-CD1 3.54Å; F293-I347 HydrophobicContact CE1-CG1 3.77Å; F293-I347 HydrophobicContact CE2-CD1 4.44Å; F293-I347 HydrophobicContact CE2-CG1 3.73Å; F293-I347 HydrophobicContact CG-CD1 4.03Å; F293-I347 HydrophobicContact CG-CG1 3.89Å; F293-I347 HydrophobicContact CZ-CD1 4Å; F293-I347 HydrophobicContact CZ-CG1 3.69Å
294F86.5Confident84.4Confident4 Ų453.4 Ų53.42%0.01825%0.25CS..Hα-helixtrans-76.3-22.1179.6-67.9-67.6000112.7I284 T290 G301 K304 L305 F308 Y345 I347I284-F294 HydrophobicContact CG2-CD2 4.18Å; I284-F294 HydrophobicContact CG2-CE2 3.76Å; T290-F294 HydrophobicContact CG2-CE2 4.49Å; T290-F294 WeakPolarHBondContact O-CD2 3.45Å; T290-F294 PolarHBondContact O-N 3.03Å; F294-G301 WeakPolarHBondContact O-CA 3.41Å; F294-K304 HydrophobicContact CD1-CB 4.45Å; F294-K304 HydrophobicContact CD1-CD 4.1Å; F294-K304 HydrophobicContact CD1-CG 4.04Å; F294-K304 HydrophobicContact CE1-CG 4.4Å; F294-L305 HydrophobicContact CD1-CB 4.43Å; F294-L305 HydrophobicContact CD2-CD1 4.18Å; F294-L305 HydrophobicContact CE2-CD1 4.14Å; F294-L305 HydrophobicContact CG-CB 4.43Å; F294-L305 HydrophobicContact CZ-CD1 4.4Å; F294-F308 HydrophobicContact CE1-CB 3.79Å; F294-F308 HydrophobicContact CE1-CD2 4.1Å; F294-F308 AromaticContact CE1-CG 3.98Å; F294-F308 HydrophobicContact CE1-CG 3.98Å; F294-F308 HydrophobicContact CZ-CB 3.92Å; F294-F308 HydrophobicContact CZ-CD1 4.07Å; F294-F308 AromaticContact CZ-CD2 3.59Å; F294-F308 HydrophobicContact CZ-CD2 3.59Å; F294-F308 HydrophobicContact CZ-CE2 4.09Å; F294-F308 AromaticContact CZ-CG 3.58Å; F294-F308 HydrophobicContact CZ-CG 3.58Å; F294-Y345 HydrophobicContact CE1-CE1 4.5Å; F294-I347 HydrophobicContact CE2-CD1 4.02Å; F294-I347 HydrophobicContact CZ-CD1 3.76Å
295R80.9Confident84.6Confident106 Ų10653.4 Ų53.440%0.425%0.25SS..THydrogen-bonded Turntrans55.953.8-167.4-54.8176.4172.3-166.7-7110.1A291 F293 W297 T298 R423A291-R295 VanDerWaalsContact O-CA 3.27Å; A291-R295 WeakPolarHBondContact O-CA 3.38Å; A291-R295 PolarHBondContact O-N 3.25Å; F293-R295 VanDerWaalsContact C-N 3.33Å; R295-W297 HydrophobicContact CB-CH2 4.04Å; R295-W297 HydrophobicContact CB-CZ2 3.96Å; R295-W297 HydrophobicContact CB-CZ3 4.37Å; R295-W297 HydrophobicContact CG-CH2 4.01Å; R295-W297 HydrophobicContact CG-CZ2 4.04Å; R295-W297 PolarHBondContact O-N 3.34Å; R295-T298 HydrophobicContact CB-CG2 4.29Å; R295-T298 WeakPolarHBondContact O-CB 3.47Å; R295-T298 PolarHBondContact O-N 3.21Å; R295-T298 PolarHBondContact O-OG1 3.47Å; R295-R423 PolarHBondContact NH2-O 3.45Å
296S80.7Confident85Confident9 Ų951.5 Ų51.56%0.06325%0.246CC..THydrogen-bonded Turntrans-60.9-13.2-17054.20000115.3R285 A291 T298R285-S296 PolarHBondContact NE-O 3.49Å; R285-S296 PolarHBondContact NH2-O 3.17Å; R285-S296 VanDerWaalsContact O-CB 3.25Å; R285-S296 WeakPolarHBondContact O-CB 3.31Å; R285-S296 PolarHBondContact O-OG 3.09Å; A291-S296 PolarHBondContact O-N 3.23Å; S296-T298 VanDerWaalsContact C-N 3.28Å
297W77.1Confident85.6Confident87 Ų8754.7 Ų54.733%0.3326%0.261SS..THydrogen-bonded Turntrans-78.5-8.617162.895.1000113.7A291 R295 T419 R421A291-W297 WeakPolarHBondContact O-CZ3 3.31Å; R295-W297 HydrophobicContact CB-CH2 4.04Å; R295-W297 HydrophobicContact CB-CZ2 3.96Å; R295-W297 HydrophobicContact CB-CZ3 4.37Å; R295-W297 HydrophobicContact CG-CH2 4.01Å; R295-W297 HydrophobicContact CG-CZ2 4.04Å; R295-W297 PolarHBondContact O-N 3.34Å; W297-T419 HydrophobicContact CB-CG2 4.21Å; W297-R421 HydrophobicContact CH2-CB 3.99Å; W297-R421 HydrophobicContact CZ2-CB 4.26Å
298T85Confident86.2Confident50 Ų5054.7 Ų54.731%0.30726%0.261SS..SBendtrans-103.8148.5178.470.60000111.4R295 S296 K300 G301 S302R295-T298 HydrophobicContact CB-CG2 4.29Å; R295-T298 WeakPolarHBondContact O-CB 3.47Å; R295-T298 PolarHBondContact O-N 3.21Å; R295-T298 PolarHBondContact O-OG1 3.47Å; S296-T298 VanDerWaalsContact C-N 3.28Å; T298-K300 VanDerWaalsContact C-N 3.3Å; T298-K300 PolarHBondContact O-N 3.09Å; T298-G301 PolarHBondContact O-N 2.69Å; T298-G301 VanDerWaalsContact O-N 3.09Å; T298-G301 PolarHBondContact OG1-N 2.62Å; T298-S302 PolarHBondContact O-N 3.16Å
299L87.2Confident87.1Confident149 Ų14948.9 Ų48.978%0.7824%0.239SC*.Hα-helixtrans-57.6-43.6175.5-17663.3000111.8G301 S302 T303L299-G301 VanDerWaalsContact C-N 3.31Å; L299-G301 PolarHBondContact O-N 2.95Å; L299-S302 WeakPolarHBondContact O-CB 3.4Å; L299-S302 PolarHBondContact O-N 3.18Å; L299-T303 PolarHBondContact O-N 3.21Å; L299-T303 PolarHBondContact O-OG1 3.13Å
300K90.2Very high88.1Confident183 Ų18351 Ų5180%0.79625%0.252SS*.Hα-helixtrans-61.1-39.2175.7-67.8-172.7177.6-1740112.4T298 T303 K304T298-K300 VanDerWaalsContact C-N 3.3Å; T298-K300 PolarHBondContact O-N 3.09Å; K300-T303 PolarHBondContact O-N 3.11Å; K300-K304 PolarHBondContact O-N 3.41Å
301G88Confident88.7Confident3 Ų356.3 Ų56.33%0.03128%0.276CS..Hα-helixtrans-67.2-39.7176.900000112.9F294 T298 L299 K304 L305F294-G301 WeakPolarHBondContact O-CA 3.41Å; T298-G301 PolarHBondContact O-N 2.69Å; T298-G301 VanDerWaalsContact O-N 3.09Å; T298-G301 PolarHBondContact OG1-N 2.62Å; L299-G301 VanDerWaalsContact C-N 3.31Å; L299-G301 PolarHBondContact O-N 2.95Å; G301-K304 PolarHBondContact O-N 3.31Å; G301-L305 PolarHBondContact O-N 3.45Å
302S88.1Confident89.4Confident28 Ų2856.3 Ų56.320%0.19628%0.276CS..Hα-helixtrans-60.5-43.8172.5-179.20000111.9Y281 T298 L299 L305 N306Y281-S302 PolarHBondContact OH-OG 3.05Å; Y281-S302 VanDerWaalsContact OH-OG 3.08Å; T298-S302 PolarHBondContact O-N 3.16Å; L299-S302 WeakPolarHBondContact O-CB 3.4Å; L299-S302 PolarHBondContact O-N 3.18Å; S302-L305 PolarHBondContact O-N 3.45Å; S302-N306 PolarHBondContact O-N 2.76Å; S302-N306 VanDerWaalsContact O-N 3.08Å; S302-N306 PolarHBondContact O-ND2 2.71Å
303T94.5Very high90.2Very high67 Ų6758.2 Ų58.241%0.41130%0.299SS..Hα-helixtrans-60.9-46.1173.3-52.80000111.9L299 K300 L305 N306 E307L299-T303 PolarHBondContact O-N 3.21Å; L299-T303 PolarHBondContact O-OG1 3.13Å; K300-T303 PolarHBondContact O-N 3.11Å; T303-L305 VanDerWaalsContact C-N 3.28Å; T303-L305 PolarHBondContact O-N 3.16Å; T303-N306 WeakPolarHBondContact O-CB 3.49Å; T303-N306 PolarHBondContact O-N 3.22Å; T303-N306 VanDerWaalsContact O-N 3.13Å; T303-E307 PolarHBondContact O-N 3.03Å
304K93.7Very high90.8Very high72 Ų7255.3 Ų55.331%0.31329%0.286SS..Hα-helixtrans-60.5-35.8177.3-170.5-176.5177.6-1680112.7F294 K300 G301 E307 F308F294-K304 HydrophobicContact CD1-CB 4.45Å; F294-K304 HydrophobicContact CD1-CD 4.1Å; F294-K304 HydrophobicContact CD1-CG 4.04Å; F294-K304 HydrophobicContact CE1-CG 4.4Å; K300-K304 PolarHBondContact O-N 3.41Å; G301-K304 PolarHBondContact O-N 3.31Å; K304-E307 PolarHBondContact O-N 2.72Å; K304-F308 WeakPolarHBondContact O-CB 3.46Å; K304-F308 PolarHBondContact O-N 3.21Å
305L93.6Very high91.2Very high0 Ų057.8 Ų57.80%030%0.303CS..Hα-helixtrans-67.5-41.2175176.358.3000111.7Y281 I284 R285 F294 G301 S302 T303 E307 F308 L309Y281-L305 HydrophobicContact CD2-CD2 4.09Å; Y281-L305 HydrophobicContact CD2-CG 4.34Å; Y281-L305 HydrophobicContact CE2-CD2 3.77Å; Y281-L305 HydrophobicContact CE2-CG 4.07Å; I284-L305 HydrophobicContact CB-CD1 4.12Å; I284-L305 HydrophobicContact CG2-CD1 3.45Å; I284-L305 VanDerWaalsContact CG2-CD1 3.45Å; R285-L305 HydrophobicContact CB-CD2 3.89Å; R285-L305 HydrophobicContact CG-CD2 4.18Å; F294-L305 HydrophobicContact CD1-CB 4.43Å; F294-L305 HydrophobicContact CD2-CD1 4.18Å; F294-L305 HydrophobicContact CE2-CD1 4.14Å; F294-L305 HydrophobicContact CG-CB 4.43Å; F294-L305 HydrophobicContact CZ-CD1 4.4Å; G301-L305 PolarHBondContact O-N 3.45Å; S302-L305 PolarHBondContact O-N 3.45Å; T303-L305 VanDerWaalsContact C-N 3.28Å; T303-L305 PolarHBondContact O-N 3.16Å; L305-E307 VanDerWaalsContact C-N 3.34Å; L305-E307 PolarHBondContact O-N 2.94Å; L305-F308 HydrophobicContact CD1-CD1 4.33Å; L305-F308 WeakPolarHBondContact O-CB 3.22Å; L305-F308 PolarHBondContact O-N 3.12Å; L305-L309 HydrophobicContact CD1-CG 4.5Å; L305-L309 WeakPolarHBondContact O-CG 3.03Å; L305-L309 PolarHBondContact O-N 3.21Å
306N95.5Very high91.9Very high34 Ų3455.5 Ų55.518%0.18230%0.298CS..Hα-helixtrans-62.2-43.2173.9-66.5-51.7000111.2Y281 S302 T303 F308 L309 V310 L316 R320Y281-N306 WeakPolarHBondContact CE2-OD1 3.27Å; S302-N306 PolarHBondContact O-N 2.76Å; S302-N306 VanDerWaalsContact O-N 3.08Å; S302-N306 PolarHBondContact O-ND2 2.71Å; T303-N306 WeakPolarHBondContact O-CB 3.49Å; T303-N306 PolarHBondContact O-N 3.22Å; T303-N306 VanDerWaalsContact O-N 3.13Å; N306-F308 VanDerWaalsContact C-N 3.32Å; N306-F308 PolarHBondContact O-N 3.33Å; N306-L309 PolarHBondContact O-N 3.33Å; N306-V310 WeakPolarHBondContact O-CG2 3.22Å; N306-V310 PolarHBondContact O-N 2.87Å; N306-L316 HydrophobicContact CB-CD1 4.17Å; N306-L316 HydrophobicContact CB-CD2 4.19Å; N306-R320 PolarHBondContact OD1-NH2 2.71Å
307E95.9Very high92.6Very high101 Ų10160 Ų6047%0.47233%0.326SS..Hα-helixtrans-58.7-44.2174.5-70.3169.6-174.500111.5T303 K304 L305 L309 V310 H311T303-E307 PolarHBondContact O-N 3.03Å; K304-E307 PolarHBondContact O-N 2.72Å; L305-E307 VanDerWaalsContact C-N 3.34Å; L305-E307 PolarHBondContact O-N 2.94Å; E307-L309 PolarHBondContact O-N 3.15Å; E307-V310 PolarHBondContact O-N 2.79Å; E307-H311 PolarHBondContact O-CD2 3.25Å; E307-H311 PolarHBondContact O-N 3.46Å
308F96.4Very high93.4Very high0 Ų057.3 Ų57.30%032%0.317CS..Hα-helixtrans-57.1-47175.9171.2-88.6000112.4I284 F294 K304 L305 N306 V310 H311 A312 L338 T341 F342 Y345 I347I284-F308 HydrophobicContact CD1-CE1 4.09Å; F294-F308 HydrophobicContact CE1-CB 3.79Å; F294-F308 HydrophobicContact CE1-CD2 4.1Å; F294-F308 AromaticContact CE1-CG 3.98Å; F294-F308 HydrophobicContact CE1-CG 3.98Å; F294-F308 HydrophobicContact CZ-CB 3.92Å; F294-F308 HydrophobicContact CZ-CD1 4.07Å; F294-F308 AromaticContact CZ-CD2 3.59Å; F294-F308 HydrophobicContact CZ-CD2 3.59Å; F294-F308 HydrophobicContact CZ-CE2 4.09Å; F294-F308 AromaticContact CZ-CG 3.58Å; F294-F308 HydrophobicContact CZ-CG 3.58Å; K304-F308 WeakPolarHBondContact O-CB 3.46Å; K304-F308 PolarHBondContact O-N 3.21Å; L305-F308 HydrophobicContact CD1-CD1 4.33Å; L305-F308 WeakPolarHBondContact O-CB 3.22Å; L305-F308 PolarHBondContact O-N 3.12Å; N306-F308 VanDerWaalsContact C-N 3.32Å; N306-F308 PolarHBondContact O-N 3.33Å; F308-V310 VanDerWaalsContact C-N 3.32Å; F308-V310 PolarHBondContact O-N 3.01Å; F308-H311 PolarHBondContact O-N 3.32Å; F308-H311 VanDerWaalsContact O-N 3.16Å; F308-A312 PolarHBondContact O-N 3.01Å; F308-L338 HydrophobicContact CE1-CD2 3.73Å; F308-L338 HydrophobicContact CZ-CD2 4.23Å; F308-T341 HydrophobicContact CD2-CG2 3.61Å; F308-T341 HydrophobicContact CE2-CG2 3.37Å; F308-T341 HydrophobicContact CG-CG2 4.32Å; F308-T341 HydrophobicContact CZ-CG2 3.86Å; F308-F342 HydrophobicContact CE1-CE1 4.02Å; F308-F342 HydrophobicContact CE1-CZ 4.17Å; F308-F342 AromaticContact CE2-CD1 3.9Å; F308-F342 HydrophobicContact CE2-CD1 3.9Å; F308-F342 HydrophobicContact CE2-CE1 4.06Å; F308-F342 AromaticContact CZ-CD1 3.56Å; F308-F342 HydrophobicContact CZ-CD1 3.56Å; F308-F342 HydrophobicContact CZ-CD2 4.43Å; F308-F342 AromaticContact CZ-CE1 3.38Å; F308-F342 HydrophobicContact CZ-CE1 3.38Å; F308-F342 HydrophobicContact CZ-CE2 4.31Å; F308-F342 HydrophobicContact CZ-CG 4.06Å; F308-F342 AromaticContact CZ-CZ 3.8Å; F308-F342 HydrophobicContact CZ-CZ 3.8Å; F308-Y345 HydrophobicContact CB-CE1 4.39Å; F308-Y345 HydrophobicContact CD2-CD1 4.09Å; F308-Y345 AromaticContact CD2-CD2 3.74Å; F308-Y345 HydrophobicContact CD2-CD2 3.74Å; F308-Y345 HydrophobicContact CD2-CE1 4.1Å; F308-Y345 AromaticContact CD2-CE2 3.75Å; F308-Y345 HydrophobicContact CD2-CE2 3.75Å; F308-Y345 AromaticContact CD2-CG 3.89Å; F308-Y345 HydrophobicContact CD2-CG 3.89Å; F308-Y345 AromaticContact CD2-CZ 3.93Å; F308-Y345 HydrophobicContact CE2-CD2 4.08Å; F308-Y345 HydrophobicContact CE2-CE2 4.47Å; F308-Y345 HydrophobicContact CE2-CG 4.24Å; F308-I347 HydrophobicContact CE2-CD1 4.29Å
309L96.1Very high93.9Very high0 Ų055 Ų550%030%0.302CS..Hα-helixtrans-64.4-37.5178.5-68.9171.3000112.2Y281 I284 L305 N306 E307 A312 G313 L314 L316 C319 L338Y281-L309 HydrophobicContact CD2-CD1 3.71Å; I284-L309 HydrophobicContact CD1-CD2 3.87Å; L305-L309 HydrophobicContact CD1-CG 4.5Å; L305-L309 WeakPolarHBondContact O-CG 3.03Å; L305-L309 PolarHBondContact O-N 3.21Å; N306-L309 PolarHBondContact O-N 3.33Å; E307-L309 PolarHBondContact O-N 3.15Å; L309-A312 CarbonylContact O-C 3.56Å; L309-A312 PolarHBondContact O-N 3.45Å; L309-G313 PolarHBondContact O-N 3.3Å; L309-L314 PolarHBondContact O-N 2.87Å; L309-L314 VanDerWaalsContact O-N 3.09Å; L309-L316 HydrophobicContact CB-CD2 3.79Å; L309-L316 HydrophobicContact CD1-CD2 4.01Å; L309-C319 HydrophobicContact CD1-CB 3.82Å; L309-C319 HydrophobicContact CD2-CB 4.38Å; L309-L338 HydrophobicContact CD2-CD2 4.48Å
310V96.4Very high94.2Very high89 Ų8953.7 Ų53.754%0.53929%0.287SS..Hα-helixtrans-64.5-40.6173.2171.90000111.1N306 E307 F308 A312 G313 L316N306-V310 WeakPolarHBondContact O-CG2 3.22Å; N306-V310 PolarHBondContact O-N 2.87Å; E307-V310 PolarHBondContact O-N 2.79Å; F308-V310 VanDerWaalsContact C-N 3.32Å; F308-V310 PolarHBondContact O-N 3.01Å; V310-A312 VanDerWaalsContact C-N 3.29Å; V310-A312 PolarHBondContact O-N 3.3Å; V310-G313 WeakPolarHBondContact O-CA 3.36Å; V310-G313 PolarHBondContact O-N 2.95Å; V310-L316 HydrophobicContact CG2-CD1 4.45Å; V310-L316 HydrophobicContact CG2-CD2 4.33Å; V310-L316 HydrophobicContact CG2-CG 4.27Å
311H96.5Very high94.3Very high112 Ų11248.1 Ų48.152%0.51926%0.264SS..Hα-helixtrans-67.4-28.3175.5-74.6-55.8000113.6E307 F308 G313 T341 Y345E307-H311 PolarHBondContact O-CD2 3.25Å; E307-H311 PolarHBondContact O-N 3.46Å; F308-H311 PolarHBondContact O-N 3.32Å; F308-H311 VanDerWaalsContact O-N 3.16Å; H311-G313 PolarHBondContact O-N 3.03Å; H311-T341 HydrophobicContact CB-CG2 4.28Å; H311-Y345 PolarHBondContact CD2-OH 2.85Å
312A95.3Very high94.3Very high2 Ų251.6 Ų51.62%0.01728%0.279CS..THydrogen-bonded Turntrans-74.91.8168.300000112.9F308 L309 V310 L314 S337 L338 T341F308-A312 PolarHBondContact O-N 3.01Å; L309-A312 CarbonylContact O-C 3.56Å; L309-A312 PolarHBondContact O-N 3.45Å; V310-A312 VanDerWaalsContact C-N 3.29Å; V310-A312 PolarHBondContact O-N 3.3Å; A312-L314 HydrophobicContact CB-CD1 4.28Å; A312-L314 HydrophobicContact CB-CG 4.22Å; A312-L314 PolarHBondContact O-N 2.87Å; A312-S337 PolarHBondContact O-OG 2.67Å; A312-L338 HydrophobicContact CB-CD2 4.26Å; A312-T341 VanDerWaalsContact CA-OG1 3.31Å; A312-T341 WeakPolarHBondContact CA-OG1 3.35Å; A312-T341 HydrophobicContact CB-CG2 4.22Å; A312-T341 WeakPolarHBondContact CB-OG1 3.13Å
313G94.6Very high94.4Very high59 Ų5951.8 Ų51.861%0.60828%0.276SS*.THydrogen-bonded Turntrans67.216.4-179.800000114L309 V310 H311L309-G313 PolarHBondContact O-N 3.3Å; V310-G313 WeakPolarHBondContact O-CA 3.36Å; V310-G313 PolarHBondContact O-N 2.95Å; H311-G313 PolarHBondContact O-N 3.03Å
314L94.9Very high94Very high7 Ų751.6 Ų51.64%0.03727%0.272CS..  trans-97.6121.1-178.8-60.9176.6000110L280 L309 A312 L316 C319 L338L280-L314 HydrophobicContact CD1-CD1 3.98Å; L309-L314 PolarHBondContact O-N 2.87Å; L309-L314 VanDerWaalsContact O-N 3.09Å; A312-L314 HydrophobicContact CB-CD1 4.28Å; A312-L314 HydrophobicContact CB-CG 4.22Å; A312-L314 PolarHBondContact O-N 2.87Å; L314-L316 PolarHBondContact O-N 3.47Å; L314-C319 WeakPolarHBondContact CB-SG 3.23Å; L314-L338 HydrophobicContact CD1-CD1 4.41Å; L314-L338 HydrophobicContact CD1-CD2 4.04Å; L314-L338 HydrophobicContact CD1-CG 4.01Å
315P95.4Very high93.8Very high55 Ų5554.7 Ų54.736%0.35729%0.29SS..  trans-59133.8176.7-23.933.7000111.6T317 E318 C319 L330P315-T317 PolarHBondContact O-N 2.96Å; P315-T317 VanDerWaalsContact O-N 3.14Å; P315-E318 HydrophobicContact CB-CB 4.3Å; P315-E318 HydrophobicContact CB-CG 4.02Å; P315-E318 HydrophobicContact CG-CG 4.21Å; P315-E318 WeakPolarHBondContact O-CB 3.17Å; P315-E318 PolarHBondContact O-N 3.47Å; P315-C319 PolarHBondContact O-N 3.23Å; P315-C319 PolarHBondContact O-SG 2.95Å; P315-L330 HydrophobicContact CG-CD1 4.38Å
316L94.8Very high93.7Very high58 Ų5854.9 Ų54.930%0.30429%0.29SS..Hα-helixtrans-61.5-26.5-178.8-63.8-179.7000113.3N306 L309 V310 L314 R320N306-L316 HydrophobicContact CB-CD1 4.17Å; N306-L316 HydrophobicContact CB-CD2 4.19Å; L309-L316 HydrophobicContact CB-CD2 3.79Å; L309-L316 HydrophobicContact CD1-CD2 4.01Å; V310-L316 HydrophobicContact CG2-CD1 4.45Å; V310-L316 HydrophobicContact CG2-CD2 4.33Å; V310-L316 HydrophobicContact CG2-CG 4.27Å; L314-L316 PolarHBondContact O-N 3.47Å; L316-R320 VanDerWaalsContact O-CB 3.32Å; L316-R320 WeakPolarHBondContact O-CB 3Å; L316-R320 WeakPolarHBondContact O-CD 3.46Å; L316-R320 WeakPolarHBondContact O-CG 3.5Å; L316-R320 PolarHBondContact O-N 3.3Å
317T95.5Very high93.6Very high105 Ų10559 Ų5964%0.64431%0.309SS*.Hα-helixtrans-64.5-42173.448.60000111.3P315 R320 Q321P315-T317 PolarHBondContact O-N 2.96Å; P315-T317 VanDerWaalsContact O-N 3.14Å; T317-R320 PolarHBondContact O-N 3.34Å; T317-Q321 PolarHBondContact O-N 2.74Å
318E94.5Very high93.3Very high30 Ų3059.3 Ų59.314%0.1431%0.313CS..Hα-helixtrans-71-41.4178.3-66.5-69.4133.900111.3P315 R320 Q321 M326 E327 L330P315-E318 HydrophobicContact CB-CB 4.3Å; P315-E318 HydrophobicContact CB-CG 4.02Å; P315-E318 HydrophobicContact CG-CG 4.21Å; P315-E318 WeakPolarHBondContact O-CB 3.17Å; P315-E318 PolarHBondContact O-N 3.47Å; E318-R320 PolarHBondContact O-N 2.83Å; E318-Q321 VanDerWaalsContact O-CG 3.23Å; E318-Q321 WeakPolarHBondContact O-CG 3.17Å; E318-Q321 PolarHBondContact O-N 3.05Å; E318-Q321 PolarHBondContact OE1-NE2 3.4Å; E318-Q321 PolarHBondContact OE2-NE2 2.97Å; E318-M326 HydrophobicContact CB-CE 4.43Å; E318-M326 HydrophobicContact CB-CG 4.42Å; E318-M326 WeakPolarHBondContact O-CG 3.01Å; E318-M326 VanDerWaalsContact OE2-CA 3.3Å; E318-M326 WeakPolarHBondContact OE2-CA 3.32Å; E318-E327 PolarHBondContact OE2-N 3.49Å; E318-L330 HydrophobicContact CB-CD1 4.21Å; E318-L330 HydrophobicContact CG-CD1 3.56Å
319C94.3Very high93.2Very high0 Ų064.8 Ų64.80%034%0.342CS..Hα-helixtrans-68.4-20.5178.1-600000113.9T279 L280 Y281 L309 L314 P315T279-C319 WeakPolarHBondContact CB-O 3.24Å; L280-C319 HydrophobicContact CB-CB 4.34Å; L280-C319 PolarHBondContact N-O 3.33Å; Y281-C319 WeakPolarHBondContact CB-O 3.4Å; Y281-C319 PolarHBondContact N-O 3.38Å; L309-C319 HydrophobicContact CD1-CB 3.82Å; L309-C319 HydrophobicContact CD2-CB 4.38Å; L314-C319 WeakPolarHBondContact CB-SG 3.23Å; P315-C319 PolarHBondContact O-N 3.23Å; P315-C319 PolarHBondContact O-SG 2.95Å
320R93.4Very high93Very high123 Ų12366.6 Ų66.646%0.46435%0.351SS..THydrogen-bonded Turntrans-97.1-5.8-178.8-72.3173.6-177.6-81.3-7.6113.4T279 Y281 N306 L316 T317 E318T279-R320 WeakPolarHBondContact CG2-O 3.28Å; Y281-R320 HydrophobicContact CG-CG 4.36Å; N306-R320 PolarHBondContact OD1-NH2 2.71Å; L316-R320 VanDerWaalsContact O-CB 3.32Å; L316-R320 WeakPolarHBondContact O-CB 3Å; L316-R320 WeakPolarHBondContact O-CD 3.46Å; L316-R320 WeakPolarHBondContact O-CG 3.5Å; L316-R320 PolarHBondContact O-N 3.3Å; T317-R320 PolarHBondContact O-N 3.34Å; E318-R320 PolarHBondContact O-N 2.83Å
321Q92.8Very high92.7Very high66 Ų6664.4 Ų64.431%0.30834%0.335SS..SBendtrans-96.8166.3168.665.9178.4-2.200110.7T279 T317 E318 Y323 M326T279-Q321 WeakPolarHBondContact CA-O 3.35Å; T279-Q321 WeakPolarHBondContact CB-O 3.36Å; T279-Q321 WeakPolarHBondContact CG2-O 3.31Å; T317-Q321 PolarHBondContact O-N 2.74Å; E318-Q321 VanDerWaalsContact O-CG 3.23Å; E318-Q321 WeakPolarHBondContact O-CG 3.17Å; E318-Q321 PolarHBondContact O-N 3.05Å; E318-Q321 PolarHBondContact OE1-NE2 3.4Å; E318-Q321 PolarHBondContact OE2-NE2 2.97Å; Q321-Y323 PolarHBondContact O-N 3.05Å; Q321-M326 HydrophobicContact CG-CG 4.26Å
322E89Confident92.3Very high75 Ų7564.8 Ų64.835%0.3534%0.34SS..BIsolated β-bridgetrans-56.9131.9176.8-71.1-57.5143.300110.8W278 N324 M325 M326W278-E322 WeakPolarHBondContact CA-OE2 3.11Å; E322-N324 PolarHBondContact O-N 3.13Å; E322-M325 HydrophobicContact CB-CB 4.38Å; E322-M325 HydrophobicContact CB-CG 3.91Å; E322-M325 WeakPolarHBondContact O-CA 3.48Å; E322-M325 WeakPolarHBondContact O-CB 3.45Å; E322-M325 PolarHBondContact O-N 2.88Å; E322-M326 PolarHBondContact O-N 3.17Å
323Y89.3Confident92.1Very high32 Ų3270.5 Ų70.513%0.12537%0.367CS..G310 helixtrans-52.6-37.1-178.1176-92.2000112.2Y275 R276 W278 L280 Q321 M325 M326 K331Y275-Y323 HydrophobicContact CD2-CD2 4.43Å; Y275-Y323 HydrophobicContact CD2-CE2 4.18Å; Y275-Y323 HydrophobicContact CE2-CE2 4.44Å; Y275-Y323 WeakPolarHBondContact O-CB 3.32Å; Y275-Y323 WeakPolarHBondContact O-CD2 3.31Å; R276-Y323 HydrophobicContact CB-CD1 4.41Å; R276-Y323 HydrophobicContact CG-CE1 4.29Å; W278-Y323 WeakPolarHBondContact O-CB 3.5Å; W278-Y323 PolarHBondContact O-N 2.84Å; L280-Y323 HydrophobicContact CD1-CD2 4.47Å; L280-Y323 HydrophobicContact CD2-CD2 3.72Å; L280-Y323 HydrophobicContact CD2-CE2 4.15Å; L280-Y323 HydrophobicContact CG-CD2 4.04Å; Q321-Y323 PolarHBondContact O-N 3.05Å; Y323-M325 PolarHBondContact O-N 3.09Å; Y323-M326 HydrophobicContact CD2-SD 3.86Å; Y323-M326 WeakPolarHBondContact O-CB 3.2Å; Y323-M326 PolarHBondContact O-N 3.38Å; Y323-K331 HydrophobicContact CE1-CD 4.37Å; Y323-K331 HydrophobicContact CE1-CG 4.48Å; Y323-K331 HydrophobicContact CE2-CG 4.39Å; Y323-K331 WeakPolarHBondContact O-CD 3.32Å
324N86.3Confident92Very high64 Ų6467.8 Ų67.834%0.34234%0.338SS..G310 helixtrans-65.1-26.9178.5-69.7-49.3000113.5R276 E322 K331R276-N324 PolarHBondContact O-ND2 2.87Å; R276-N324 PolarHBondContact O-OD1 3.44Å; E322-N324 PolarHBondContact O-N 3.13Å; N324-K331 PolarHBondContact O-NZ 3.24Å
325M89.4Confident91.9Very high137 Ų13769.1 Ų69.168%0.67534%0.344SS*.G310 helixtrans-86.8-13.1179.7-57.1-59.3175.400113.3E322 Y323E322-M325 HydrophobicContact CB-CB 4.38Å; E322-M325 HydrophobicContact CB-CG 3.91Å; E322-M325 WeakPolarHBondContact O-CA 3.48Å; E322-M325 WeakPolarHBondContact O-CB 3.45Å; E322-M325 PolarHBondContact O-N 2.88Å; Y323-M325 PolarHBondContact O-N 3.09Å
326M92.4Very high91.8Very high3 Ų372.6 Ų72.62%0.01536%0.355CS..SBendtrans-57.8150.6175.2-71.9175.759.700111.9L280 E318 Q321 E322 Y323 L330 K331L280-M326 HydrophobicContact CD1-CE 3.8Å; L280-M326 HydrophobicContact CD1-SD 3.67Å; L280-M326 HydrophobicContact CG-SD 4Å; E318-M326 HydrophobicContact CB-CE 4.43Å; E318-M326 HydrophobicContact CB-CG 4.42Å; E318-M326 WeakPolarHBondContact O-CG 3.01Å; E318-M326 VanDerWaalsContact OE2-CA 3.3Å; E318-M326 WeakPolarHBondContact OE2-CA 3.32Å; Q321-M326 HydrophobicContact CG-CG 4.26Å; E322-M326 PolarHBondContact O-N 3.17Å; Y323-M326 HydrophobicContact CD2-SD 3.86Å; Y323-M326 WeakPolarHBondContact O-CB 3.2Å; Y323-M326 PolarHBondContact O-N 3.38Å; M326-L330 HydrophobicContact CE-CB 4.02Å; M326-K331 HydrophobicContact CB-CD 3.91Å; M326-K331 HydrophobicContact CB-CG 3.48Å; M326-K331 VanDerWaalsContact CB-CG 3.48Å; M326-K331 WeakPolarHBondContact O-CD 3.19Å; M326-K331 WeakPolarHBondContact O-CE 3.36Å; M326-K331 PolarHBondContact O-NZ 2.95Å
327E92.3Very high91.8Very high122 Ų12271.4 Ų71.457%0.5735%0.352SS*.  trans-54.4141.3173.2-74.4-64.1163.600111.3E318 D329 L330 K331E318-E327 PolarHBondContact OE2-N 3.49Å; E327-D329 VanDerWaalsContact C-N 3.29Å; E327-D329 PolarHBondContact O-N 3.46Å; E327-L330 HydrophobicContact CB-CB 4.4Å; E327-L330 HydrophobicContact CB-CD1 4.21Å; E327-L330 HydrophobicContact CB-CG 4.3Å; E327-L330 PolarHBondContact O-N 3.46Å; E327-K331 WeakPolarHBondContact O-CG 3.44Å; E327-K331 PolarHBondContact O-N 3.31Å
328I90.1Very high91.8Very high107 Ų10766.5 Ų66.555%0.54932%0.322SS..Hα-helixtrans-59.5-42.4-171.2-65.6170.4000111.4K331 N332I328-K331 PolarHBondContact O-N 2.98Å; I328-N332 PolarHBondContact O-N 3.21Å; I328-N332 PolarHBondContact O-ND2 3.23Å; I328-N332 VanDerWaalsContact O-ND2 3.15Å
329D93.5Very high91.7Very high114 Ų11466.9 Ų66.961%0.6132%0.323SS*.Hα-helixtrans-63.9-46.4179.8-60.6-29.7000111E327 K331 N332 E333E327-D329 VanDerWaalsContact C-N 3.29Å; E327-D329 PolarHBondContact O-N 3.46Å; D329-K331 VanDerWaalsContact C-N 3.35Å; D329-K331 PolarHBondContact O-N 3.42Å; D329-N332 PolarHBondContact O-N 2.74Å; D329-E333 WeakPolarHBondContact O-CG 3.38Å; D329-E333 PolarHBondContact O-N 2.63Å
330L92Very high91.7Very high39 Ų3970 Ų7020%0.20434%0.34CS..Hα-helixtrans-63.5-38.2176.9-66.9179.1000112.4P315 E318 M326 E327 E333 S334P315-L330 HydrophobicContact CG-CD1 4.38Å; E318-L330 HydrophobicContact CB-CD1 4.21Å; E318-L330 HydrophobicContact CG-CD1 3.56Å; M326-L330 HydrophobicContact CE-CB 4.02Å; E327-L330 HydrophobicContact CB-CB 4.4Å; E327-L330 HydrophobicContact CB-CD1 4.21Å; E327-L330 HydrophobicContact CB-CG 4.3Å; E327-L330 PolarHBondContact O-N 3.46Å; L330-E333 PolarHBondContact O-N 3.17Å; L330-S334 WeakPolarHBondContact O-CA 3.46Å; L330-S334 WeakPolarHBondContact O-CB 3.42Å; L330-S334 PolarHBondContact O-N 2.93Å
331K89.7Confident91.8Very high43 Ų4364.2 Ų64.219%0.18732%0.318CS..Hα-helixtrans-61.1-46.1174.3-72.5-178.3-56.8-143.40111.4Y323 N324 M326 E327 I328 D329 E333 S334Y323-K331 HydrophobicContact CE1-CD 4.37Å; Y323-K331 HydrophobicContact CE1-CG 4.48Å; Y323-K331 HydrophobicContact CE2-CG 4.39Å; Y323-K331 WeakPolarHBondContact O-CD 3.32Å; N324-K331 PolarHBondContact O-NZ 3.24Å; M326-K331 HydrophobicContact CB-CD 3.91Å; M326-K331 HydrophobicContact CB-CG 3.48Å; M326-K331 VanDerWaalsContact CB-CG 3.48Å; M326-K331 WeakPolarHBondContact O-CD 3.19Å; M326-K331 WeakPolarHBondContact O-CE 3.36Å; M326-K331 PolarHBondContact O-NZ 2.95Å; E327-K331 WeakPolarHBondContact O-CG 3.44Å; E327-K331 PolarHBondContact O-N 3.31Å; I328-K331 PolarHBondContact O-N 2.98Å; D329-K331 VanDerWaalsContact C-N 3.35Å; D329-K331 PolarHBondContact O-N 3.42Å; K331-E333 VanDerWaalsContact C-N 3.33Å; K331-E333 PolarHBondContact O-N 3.05Å; K331-S334 PolarHBondContact O-N 3.14Å; K331-S334 PolarHBondContact O-OG 2.92Å
332N89.4Confident91.8Very high119 Ų11961.1 Ų61.164%0.63630%0.304SS*.Hα-helixtrans-65.5-37.4-177.6-67.4-26.5000112I328 D329I328-N332 PolarHBondContact O-N 3.21Å; I328-N332 PolarHBondContact O-ND2 3.23Å; I328-N332 VanDerWaalsContact O-ND2 3.15Å; D329-N332 PolarHBondContact O-N 2.74Å
333E90.9Very high91.9Very high123 Ų12364.5 Ų64.558%0.57532%0.32SS*.Hα-helixtrans-86.2-21.5-179.8-65.7176.3179.700113.5D329 L330 K331 K335 E336 S337D329-E333 WeakPolarHBondContact O-CG 3.38Å; D329-E333 PolarHBondContact O-N 2.63Å; L330-E333 PolarHBondContact O-N 3.17Å; K331-E333 VanDerWaalsContact C-N 3.33Å; K331-E333 PolarHBondContact O-N 3.05Å; E333-K335 VanDerWaalsContact C-N 3.31Å; E333-K335 PolarHBondContact O-N 3.29Å; E333-E336 PolarHBondContact O-N 2.8Å; E333-S337 PolarHBondContact O-N 2.99Å
334S92.5Very high92.1Very high1 Ų171.8 Ų71.81%0.00735%0.347CS..Hα-helixtrans-57.1-40.7-172.562.40000113.6L330 K331 S337 L338L330-S334 WeakPolarHBondContact O-CA 3.46Å; L330-S334 WeakPolarHBondContact O-CB 3.42Å; L330-S334 PolarHBondContact O-N 2.93Å; K331-S334 PolarHBondContact O-N 3.14Å; K331-S334 PolarHBondContact O-OG 2.92Å; S334-S337 PolarHBondContact O-N 3.34Å; S334-L338 VanDerWaalsContact O-CB 3.25Å; S334-L338 WeakPolarHBondContact O-CB 3.34Å; S334-L338 WeakPolarHBondContact O-CG 3.46Å; S334-L338 PolarHBondContact O-N 3.1Å
335K91.9Very high92.4Very high35 Ų3571.1 Ų71.115%0.15234%0.34CS..Hα-helixtrans-60.4-57.5-179.9177.9-177.6162.9-172.90110.5E267 T268 L270 E333 S337 L338 E339E267-K335 IonicContact OE1-NZ 3.09Å; E267-K335 PolarHBondContact OE1-NZ 3.49Å; T268-K335 WeakPolarHBondContact O-CE 3.37Å; T268-K335 PolarHBondContact O-NZ 2.98Å; T268-K335 PolarHBondContact OG1-NZ 2.85Å; L270-K335 HydrophobicContact CD1-CG 4.47Å; L270-K335 HydrophobicContact CG-CG 4.42Å; E333-K335 VanDerWaalsContact C-N 3.31Å; E333-K335 PolarHBondContact O-N 3.29Å; K335-S337 VanDerWaalsContact C-N 3.31Å; K335-S337 PolarHBondContact O-N 3.29Å; K335-L338 PolarHBondContact O-N 2.79Å; K335-E339 WeakPolarHBondContact CE-OE1 3.42Å; K335-E339 HydrophobicContact CG-CG 4.47Å; K335-E339 VanDerWaalsContact O-CG 3.28Å; K335-E339 WeakPolarHBondContact O-CG 3.46Å; K335-E339 PolarHBondContact O-N 2.9Å
336E93Very high92.3Very high128 Ų12872.6 Ų72.660%0.59835%0.345SS*.Hα-helixtrans-60.7-40.9-178.8-179.4177.3-176.300111.5E333 L338 E339 N340E333-E336 PolarHBondContact O-N 2.8Å; E336-L338 PolarHBondContact O-N 3.05Å; E336-E339 PolarHBondContact O-N 3.41Å; E336-N340 PolarHBondContact O-N 3.32Å; E336-N340 PolarHBondContact O-ND2 3.47Å
337S95.1Very high92Very high34 Ų3473.2 Ų73.224%0.23835%0.348CS..Hα-helixtrans-66-40.2178.9-163.40000112.8A312 E333 S334 K335 T341A312-S337 PolarHBondContact O-OG 2.67Å; E333-S337 PolarHBondContact O-N 2.99Å; S334-S337 PolarHBondContact O-N 3.34Å; K335-S337 VanDerWaalsContact C-N 3.31Å; K335-S337 PolarHBondContact O-N 3.29Å; S337-T341 WeakPolarHBondContact O-CB 3.37Å; S337-T341 PolarHBondContact O-N 3.42Å; S337-T341 PolarHBondContact O-OG1 3.3Å
338L95.3Very high91.5Very high1 Ų174.3 Ų74.31%0.00535%0.353CS..Hα-helixtrans-66-44.8175-75172.1000111.4L270 L280 I284 F308 L309 A312 L314 S334 K335 E336 N340 T341 F342L270-L338 HydrophobicContact CD1-CB 3.88Å; L270-L338 HydrophobicContact CD1-CD1 3.77Å; L270-L338 HydrophobicContact CD1-CG 4.5Å; L280-L338 HydrophobicContact CD1-CD1 4.44Å; L280-L338 HydrophobicContact CD2-CD1 4.29Å; I284-L338 HydrophobicContact CD1-CD1 4.48Å; I284-L338 HydrophobicContact CD1-CD2 3.82Å; F308-L338 HydrophobicContact CE1-CD2 3.73Å; F308-L338 HydrophobicContact CZ-CD2 4.23Å; L309-L338 HydrophobicContact CD2-CD2 4.48Å; A312-L338 HydrophobicContact CB-CD2 4.26Å; L314-L338 HydrophobicContact CD1-CD1 4.41Å; L314-L338 HydrophobicContact CD1-CD2 4.04Å; L314-L338 HydrophobicContact CD1-CG 4.01Å; S334-L338 VanDerWaalsContact O-CB 3.25Å; S334-L338 WeakPolarHBondContact O-CB 3.34Å; S334-L338 WeakPolarHBondContact O-CG 3.46Å; S334-L338 PolarHBondContact O-N 3.1Å; K335-L338 PolarHBondContact O-N 2.79Å; E336-L338 PolarHBondContact O-N 3.05Å; L338-N340 PolarHBondContact O-N 2.94Å; L338-T341 CarbonylContact O-C 3.59Å; L338-T341 PolarHBondContact O-N 3.16Å; L338-T341 VanDerWaalsContact O-N 3.07Å; L338-F342 HydrophobicContact CB-CD2 4.17Å; L338-F342 HydrophobicContact CB-CE2 3.85Å; L338-F342 HydrophobicContact CD2-CE2 4.41Å; L338-F342 WeakPolarHBondContact O-CD2 3.36Å; L338-F342 WeakPolarHBondContact O-CG 3.38Å; L338-F342 PolarHBondContact O-N 2.97Å
339E93.1Very high91.1Very high38 Ų3872 Ų7218%0.17834%0.342CS..Hα-helixtrans-54-52.3176.5-71.9177169.200111.2L270 K335 E336 T341 F342 E343 I351L270-E339 HydrophobicContact CD2-CG 3.57Å; L270-E339 HydrophobicContact CG-CG 4.49Å; K335-E339 WeakPolarHBondContact CE-OE1 3.42Å; K335-E339 HydrophobicContact CG-CG 4.47Å; K335-E339 VanDerWaalsContact O-CG 3.28Å; K335-E339 WeakPolarHBondContact O-CG 3.46Å; K335-E339 PolarHBondContact O-N 2.9Å; E336-E339 PolarHBondContact O-N 3.41Å; E339-T341 VanDerWaalsContact C-N 3.25Å; E339-T341 PolarHBondContact O-N 2.93Å; E339-F342 PolarHBondContact O-N 3.39Å; E339-E343 PolarHBondContact O-N 3.48Å; E339-I351 HydrophobicContact CB-CD1 3.71Å; E339-I351 HydrophobicContact CG-CD1 3.58Å; E339-I351 HydrophobicContact CG-CG1 3.99Å
340N94.4Very high90.7Very high65 Ų6566.7 Ų66.735%0.34831%0.314SS..Hα-helixtrans-59.5-35.7176.8-74-49.7000112.7E336 L338 R344E336-N340 PolarHBondContact O-N 3.32Å; E336-N340 PolarHBondContact O-ND2 3.47Å; L338-N340 PolarHBondContact O-N 2.94Å; N340-R344 VanDerWaalsContact O-CG 3.26Å; N340-R344 WeakPolarHBondContact O-CG 3.29Å; N340-R344 PolarHBondContact O-N 3.25Å; N340-R344 VanDerWaalsContact O-N 3.17Å
341T95.4Very high90.7Very high2 Ų268.4 Ų68.41%0.01232%0.323CS..Hα-helixtrans-78.3-36.8-179.3-50.60000111.6F308 H311 A312 S337 L338 E339 E343 R344 Y345F308-T341 HydrophobicContact CD2-CG2 3.61Å; F308-T341 HydrophobicContact CE2-CG2 3.37Å; F308-T341 HydrophobicContact CG-CG2 4.32Å; F308-T341 HydrophobicContact CZ-CG2 3.86Å; H311-T341 HydrophobicContact CB-CG2 4.28Å; A312-T341 VanDerWaalsContact CA-OG1 3.31Å; A312-T341 WeakPolarHBondContact CA-OG1 3.35Å; A312-T341 HydrophobicContact CB-CG2 4.22Å; A312-T341 WeakPolarHBondContact CB-OG1 3.13Å; S337-T341 WeakPolarHBondContact O-CB 3.37Å; S337-T341 PolarHBondContact O-N 3.42Å; S337-T341 PolarHBondContact O-OG1 3.3Å; L338-T341 CarbonylContact O-C 3.59Å; L338-T341 PolarHBondContact O-N 3.16Å; L338-T341 VanDerWaalsContact O-N 3.07Å; E339-T341 VanDerWaalsContact C-N 3.25Å; E339-T341 PolarHBondContact O-N 2.93Å; T341-E343 VanDerWaalsContact C-N 3.32Å; T341-E343 PolarHBondContact O-N 2.94Å; T341-R344 PolarHBondContact O-N 3.3Å; T341-Y345 HydrophobicContact CG2-CD2 3.96Å; T341-Y345 HydrophobicContact CG2-CE2 3.92Å; T341-Y345 VanDerWaalsContact O-CD2 3.28Å; T341-Y345 WeakPolarHBondContact O-CD2 3.27Å; T341-Y345 PolarHBondContact O-N 3.48Å
342F93.5Very high90.8Very high2 Ų266.7 Ų66.71%0.00932%0.315CS..Hα-helixtrans-60.3-43.3172.7-74.4-56.7000111.2L270 I272 I284 T290 F308 L338 E339 Y345 E346 I347 V350L270-F342 HydrophobicContact CD2-CD2 4.05Å; L270-F342 HydrophobicContact CD2-CE2 4.03Å; I272-F342 HydrophobicContact CG2-CZ 4.3Å; I284-F342 HydrophobicContact CD1-CZ 4.31Å; I284-F342 HydrophobicContact CG1-CZ 4.26Å; T290-F342 HydrophobicContact CG2-CD1 4.5Å; T290-F342 HydrophobicContact CG2-CE1 3.62Å; T290-F342 HydrophobicContact CG2-CZ 4.11Å; F308-F342 HydrophobicContact CE1-CE1 4.02Å; F308-F342 HydrophobicContact CE1-CZ 4.17Å; F308-F342 AromaticContact CE2-CD1 3.9Å; F308-F342 HydrophobicContact CE2-CD1 3.9Å; F308-F342 HydrophobicContact CE2-CE1 4.06Å; F308-F342 AromaticContact CZ-CD1 3.56Å; F308-F342 HydrophobicContact CZ-CD1 3.56Å; F308-F342 HydrophobicContact CZ-CD2 4.43Å; F308-F342 AromaticContact CZ-CE1 3.38Å; F308-F342 HydrophobicContact CZ-CE1 3.38Å; F308-F342 HydrophobicContact CZ-CE2 4.31Å; F308-F342 HydrophobicContact CZ-CG 4.06Å; F308-F342 AromaticContact CZ-CZ 3.8Å; F308-F342 HydrophobicContact CZ-CZ 3.8Å; L338-F342 HydrophobicContact CB-CD2 4.17Å; L338-F342 HydrophobicContact CB-CE2 3.85Å; L338-F342 HydrophobicContact CD2-CE2 4.41Å; L338-F342 WeakPolarHBondContact O-CD2 3.36Å; L338-F342 WeakPolarHBondContact O-CG 3.38Å; L338-F342 PolarHBondContact O-N 2.97Å; E339-F342 PolarHBondContact O-N 3.39Å; F342-Y345 CarbonylContact O-C 3.53Å; F342-Y345 PolarHBondContact O-N 2.88Å; F342-E346 PolarHBondContact O-N 3Å; F342-E346 VanDerWaalsContact O-N 3.16Å; F342-I347 HydrophobicContact CB-CB 4.5Å; F342-I347 HydrophobicContact CD1-CB 4.1Å; F342-I347 HydrophobicContact CD1-CD1 3.65Å; F342-I347 HydrophobicContact CD1-CG1 4.41Å; F342-I347 HydrophobicContact CD1-CG2 4.37Å; F342-I347 HydrophobicContact CE1-CD1 4.14Å; F342-I347 PolarHBondContact O-N 3.36Å; F342-V350 HydrophobicContact CB-CB 4.47Å; F342-V350 HydrophobicContact CD1-CB 4.45Å; F342-V350 HydrophobicContact CD1-CG1 4.03Å; F342-V350 HydrophobicContact CD1-CG2 4.12Å; F342-V350 HydrophobicContact CD2-CB 4.26Å; F342-V350 HydrophobicContact CD2-CG1 3.52Å; F342-V350 HydrophobicContact CE1-CG1 4.07Å; F342-V350 HydrophobicContact CE2-CG1 3.53Å; F342-V350 HydrophobicContact CG-CB 4.17Å; F342-V350 HydrophobicContact CG-CG1 3.8Å; F342-V350 HydrophobicContact CG-CG2 4.27Å; F342-V350 HydrophobicContact CZ-CG1 3.83Å
343E91.5Very high91Very high145 Ų14561.5 Ų61.568%0.67829%0.29SS*.Hα-helixtrans-60.5-47.2174.9-172.4179.6-171.300111.7E339 T341 Y345 E346E339-E343 PolarHBondContact O-N 3.48Å; T341-E343 VanDerWaalsContact C-N 3.32Å; T341-E343 PolarHBondContact O-N 2.94Å; E343-Y345 PolarHBondContact O-N 3.02Å; E343-E346 PolarHBondContact O-N 2.88Å
344R93.1Very high91Very high185 Ų18555.7 Ų55.770%0.69826%0.263SS*.Hα-helixtrans-59.7-31.8176.4-73.3171.7-170.6-176.44.9113.9N340 T341 E346N340-R344 VanDerWaalsContact O-CG 3.26Å; N340-R344 WeakPolarHBondContact O-CG 3.29Å; N340-R344 PolarHBondContact O-N 3.25Å; N340-R344 VanDerWaalsContact O-N 3.17Å; T341-R344 PolarHBondContact O-N 3.3Å; R344-E346 VanDerWaalsContact C-N 3.29Å
345Y91.6Very high91.1Very high50 Ų5055.6 Ų55.620%0.19626%0.262CS..THydrogen-bonded Turntrans-87.91.8177.9-85.2-110000112.9F293 F294 F308 H311 T341 F342 E343 I347F293-Y345 AromaticContact CE1-CD1 3.84Å; F293-Y345 HydrophobicContact CE1-CD1 3.84Å; F293-Y345 AromaticContact CZ-CD1 3.99Å; F293-Y345 HydrophobicContact CZ-CD1 3.99Å; F293-Y345 WeakPolarHBondContact CZ-O 3.35Å; F294-Y345 HydrophobicContact CE1-CE1 4.5Å; F308-Y345 HydrophobicContact CB-CE1 4.39Å; F308-Y345 HydrophobicContact CD2-CD1 4.09Å; F308-Y345 AromaticContact CD2-CD2 3.74Å; F308-Y345 HydrophobicContact CD2-CD2 3.74Å; F308-Y345 HydrophobicContact CD2-CE1 4.1Å; F308-Y345 AromaticContact CD2-CE2 3.75Å; F308-Y345 HydrophobicContact CD2-CE2 3.75Å; F308-Y345 AromaticContact CD2-CG 3.89Å; F308-Y345 HydrophobicContact CD2-CG 3.89Å; F308-Y345 AromaticContact CD2-CZ 3.93Å; F308-Y345 HydrophobicContact CE2-CD2 4.08Å; F308-Y345 HydrophobicContact CE2-CE2 4.47Å; F308-Y345 HydrophobicContact CE2-CG 4.24Å; H311-Y345 PolarHBondContact CD2-OH 2.85Å; T341-Y345 HydrophobicContact CG2-CD2 3.96Å; T341-Y345 HydrophobicContact CG2-CE2 3.92Å; T341-Y345 VanDerWaalsContact O-CD2 3.28Å; T341-Y345 WeakPolarHBondContact O-CD2 3.27Å; T341-Y345 PolarHBondContact O-N 3.48Å; F342-Y345 CarbonylContact O-C 3.53Å; F342-Y345 PolarHBondContact O-N 2.88Å; E343-Y345 PolarHBondContact O-N 3.02Å; Y345-I347 PolarHBondContact O-N 3.41Å
346E88Confident91Very high169 Ų16954.9 Ų54.979%0.7926%0.259SS*.THydrogen-bonded Turntrans5439.4-176.5-56.3176.4161.100111.4F342 E343 R344 E348F342-E346 PolarHBondContact O-N 3Å; F342-E346 VanDerWaalsContact O-N 3.16Å; E343-E346 PolarHBondContact O-N 2.88Å; R344-E346 VanDerWaalsContact C-N 3.29Å; E346-E348 PolarHBondContact O-N 3.45Å
347I85.5Confident90.7Very high15 Ų1548.8 Ų48.88%0.07723%0.231CC..  trans-89.1102.5175-52.3171.3000107.5F293 F294 F308 F342 Y345 V350F293-I347 HydrophobicContact CD1-CD1 3.54Å; F293-I347 HydrophobicContact CD1-CG1 3.85Å; F293-I347 HydrophobicContact CD2-CD1 4.46Å; F293-I347 HydrophobicContact CD2-CG1 3.84Å; F293-I347 HydrophobicContact CE1-CD1 3.54Å; F293-I347 HydrophobicContact CE1-CG1 3.77Å; F293-I347 HydrophobicContact CE2-CD1 4.44Å; F293-I347 HydrophobicContact CE2-CG1 3.73Å; F293-I347 HydrophobicContact CG-CD1 4.03Å; F293-I347 HydrophobicContact CG-CG1 3.89Å; F293-I347 HydrophobicContact CZ-CD1 4Å; F293-I347 HydrophobicContact CZ-CG1 3.69Å; F294-I347 HydrophobicContact CE2-CD1 4.02Å; F294-I347 HydrophobicContact CZ-CD1 3.76Å; F308-I347 HydrophobicContact CE2-CD1 4.29Å; F342-I347 HydrophobicContact CB-CB 4.5Å; F342-I347 HydrophobicContact CD1-CB 4.1Å; F342-I347 HydrophobicContact CD1-CD1 3.65Å; F342-I347 HydrophobicContact CD1-CG1 4.41Å; F342-I347 HydrophobicContact CD1-CG2 4.37Å; F342-I347 HydrophobicContact CE1-CD1 4.14Å; F342-I347 PolarHBondContact O-N 3.36Å; Y345-I347 PolarHBondContact O-N 3.41Å; I347-V350 HydrophobicContact CB-CG2 4.04Å; I347-V350 HydrophobicContact CG2-CG2 3.35Å
348E82.4Confident90Very high145 Ų14550.3 Ų50.368%0.67823%0.233SC*.  trans-73.7161.5177.5-63.1169.2173.300111.9E346 V350E346-E348 PolarHBondContact O-N 3.45Å; E348-V350 VanDerWaalsContact C-N 3.26Å; E348-V350 WeakPolarHBondContact O-CG2 3.33Å; E348-V350 PolarHBondContact O-N 3.08Å
349D80.6Confident88.9Confident59 Ų5952.2 Ų52.232%0.31624%0.24SC..SBendtrans58.231.8172.8-58.3-18.4000115L229 L271 Q456L229-D349 HydrophobicContact CD2-CB 3.94Å; L271-D349 WeakPolarHBondContact CD2-O 3.46Å; D349-Q456 PolarHBondContact OD1-NE2 2.89Å; D349-Q456 PolarHBondContact OD2-NE2 3.08Å
350V86.4Confident87.7Confident2 Ų252.8 Ų52.81%0.01225%0.248CC..  trans-100.6-17.4175.9-167.90000112.5L270 L271 I272 F342 I347 E348L270-V350 CarbonylContact C-O 3.55Å; L270-V350 VanDerWaalsContact CA-O 3.29Å; L270-V350 WeakPolarHBondContact CA-O 3.22Å; L270-V350 HydrophobicContact CD2-CG1 4.35Å; L271-V350 PolarHBondContact N-O 3Å; I272-V350 HydrophobicContact CG2-CG1 4.28Å; F342-V350 HydrophobicContact CB-CB 4.47Å; F342-V350 HydrophobicContact CD1-CB 4.45Å; F342-V350 HydrophobicContact CD1-CG1 4.03Å; F342-V350 HydrophobicContact CD1-CG2 4.12Å; F342-V350 HydrophobicContact CD2-CB 4.26Å; F342-V350 HydrophobicContact CD2-CG1 3.52Å; F342-V350 HydrophobicContact CE1-CG1 4.07Å; F342-V350 HydrophobicContact CE2-CG1 3.53Å; F342-V350 HydrophobicContact CG-CB 4.17Å; F342-V350 HydrophobicContact CG-CG1 3.8Å; F342-V350 HydrophobicContact CG-CG2 4.27Å; F342-V350 HydrophobicContact CZ-CG1 3.83Å; I347-V350 HydrophobicContact CB-CG2 4.04Å; I347-V350 HydrophobicContact CG2-CG2 3.35Å; E348-V350 VanDerWaalsContact C-N 3.26Å; E348-V350 WeakPolarHBondContact O-CG2 3.33Å; E348-V350 PolarHBondContact O-N 3.08Å
351I90.8Very high86.2Confident75 Ų7559.6 Ų59.639%0.38527%0.271SS..EExtended strand (participates in β ladder)trans-117.3130.8-179-53.8173.8000108.4L270 E339L270-I351 HydrophobicContact CD2-CG1 4.27Å; E339-I351 HydrophobicContact CB-CD1 3.71Å; E339-I351 HydrophobicContact CG-CD1 3.58Å; E339-I351 HydrophobicContact CG-CG1 3.99Å
352Y92.5Very high84.8Confident7 Ų761.8 Ų61.83%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-150.5155.1-179.976.3-56000112.2L222 L229 Y232 T268 E269 L271 S354 C368L222-Y352 HydrophobicContact CD2-CD2 3.79Å; L222-Y352 HydrophobicContact CD2-CE2 3.92Å; L229-Y352 HydrophobicContact CD1-CD2 4.45Å; L229-Y352 HydrophobicContact CD1-CG 4.38Å; Y232-Y352 HydrophobicContact CD1-CD2 4.03Å; Y232-Y352 AromaticContact CE1-CD2 3.56Å; Y232-Y352 HydrophobicContact CE1-CD2 3.56Å; Y232-Y352 AromaticContact CE1-CE2 3.8Å; Y232-Y352 HydrophobicContact CE1-CE2 3.8Å; T268-Y352 CarbonylContact C-O 3.59Å; T268-Y352 WeakPolarHBondContact CA-O 3.3Å; E269-Y352 HydrophobicContact CB-CD1 4.39Å; E269-Y352 HydrophobicContact CB-CE1 3.84Å; E269-Y352 PolarHBondContact N-O 3.37Å; E269-Y352 VanDerWaalsContact O-CD1 3.3Å; E269-Y352 WeakPolarHBondContact O-CD1 3.25Å; E269-Y352 PolarHBondContact O-N 3.37Å; L271-Y352 HydrophobicContact CB-CD1 3.76Å; L271-Y352 HydrophobicContact CB-CE1 3.9Å; L271-Y352 HydrophobicContact CD1-CD1 4.01Å; L271-Y352 HydrophobicContact CD1-CD2 4.42Å; L271-Y352 HydrophobicContact CD1-CE1 3.64Å; L271-Y352 HydrophobicContact CD1-CE2 4.08Å; L271-Y352 HydrophobicContact CD1-CG 4.42Å; L271-Y352 HydrophobicContact CG-CD1 4.45Å; L271-Y352 HydrophobicContact CG-CE1 4.39Å; Y352-S354 VanDerWaalsContact CE2-CB 3.41Å; Y352-S354 WeakPolarHBondContact CE2-OG 3.4Å; Y352-S354 VanDerWaalsContact CZ-OG 3.32Å; Y352-S354 WeakPolarHBondContact OH-CB 3.15Å; Y352-S354 PolarHBondContact OH-OG 2.92Å; Y352-C368 WeakPolarHBondContact OH-CB 3.34Å
353G93.1Very high83.7Confident11 Ų1168.1 Ų68.111%0.11332%0.315CS..EExtended strand (participates in β ladder)trans-80.5116.7171.600000110.3Y232 F266Y232-G353 VanDerWaalsContact CE1-O 3.3Å; Y232-G353 WeakPolarHBondContact CE1-O 3.44Å; F266-G353 VanDerWaalsContact CE2-C 3.5Å
354S92.5Very high83.3Confident0 Ų064 Ų640%030%0.295CS..EExtended strand (participates in β ladder)trans-128.2173.5-174.4-161.50000112.1F266 E267 Y352F266-S354 WeakPolarHBondContact CA-O 3.41Å; F266-S354 VanDerWaalsContact CD2-O 3.22Å; F266-S354 WeakPolarHBondContact CD2-O 3.49Å; E267-S354 PolarHBondContact N-O 3.36Å; E267-S354 PolarHBondContact O-N 2.89Å; E267-S354 VanDerWaalsContact O-O 3.09Å; Y352-S354 VanDerWaalsContact CE2-CB 3.41Å; Y352-S354 WeakPolarHBondContact CE2-OG 3.4Å; Y352-S354 VanDerWaalsContact CZ-OG 3.32Å; Y352-S354 WeakPolarHBondContact OH-CB 3.15Å; Y352-S354 PolarHBondContact OH-OG 2.92Å
355F93.1Very high83Confident0 Ų055.8 Ų55.80%027%0.265CS..EExtended strand (participates in β ladder)trans-112.2142.1178.6-59.1-89.6000111.1W212 L215 S236 I239 N240 Y244 I264 H265 F266 A367W212-F355 HydrophobicContact CZ3-CB 4.29Å; L215-F355 HydrophobicContact CD1-CB 4.05Å; L215-F355 HydrophobicContact CD1-CD1 3.76Å; L215-F355 HydrophobicContact CD1-CD2 4.33Å; L215-F355 HydrophobicContact CD1-CE1 4.26Å; L215-F355 HydrophobicContact CD1-CG 3.79Å; L215-F355 HydrophobicContact CD2-CD1 4.15Å; L215-F355 HydrophobicContact CD2-CD2 3.62Å; L215-F355 HydrophobicContact CD2-CE1 4.05Å; L215-F355 HydrophobicContact CD2-CE2 3.5Å; L215-F355 VanDerWaalsContact CD2-CE2 3.5Å; L215-F355 HydrophobicContact CD2-CG 3.93Å; L215-F355 HydrophobicContact CD2-CZ 3.72Å; L215-F355 HydrophobicContact CG-CD2 4.4Å; L215-F355 HydrophobicContact CG-CG 4.35Å; S236-F355 WeakPolarHBondContact O-CZ 3.5Å; I239-F355 HydrophobicContact CB-CZ 4.31Å; I239-F355 HydrophobicContact CG2-CE1 4.44Å; I239-F355 HydrophobicContact CG2-CZ 4.05Å; N240-F355 HydrophobicContact CB-CE1 4.26Å; N240-F355 HydrophobicContact CB-CZ 4.42Å; Y244-F355 HydrophobicContact CE2-CE1 4.27Å; I264-F355 HydrophobicContact CG2-CB 4.42Å; I264-F355 HydrophobicContact CG2-CD1 4.37Å; H265-F355 CarbonylContact O-C 3.5Å; H265-F355 VanDerWaalsContact O-CA 3.3Å; H265-F355 WeakPolarHBondContact O-CA 3.5Å; F266-F355 HydrophobicContact CB-CD1 4.09Å; F266-F355 HydrophobicContact CB-CE1 4.06Å; F266-F355 AromaticContact CD2-CD1 3.76Å; F266-F355 HydrophobicContact CD2-CD1 3.76Å; F266-F355 HydrophobicContact CD2-CD2 4.23Å; F266-F355 AromaticContact CD2-CE1 3.46Å; F266-F355 HydrophobicContact CD2-CE1 3.46Å; F266-F355 VanDerWaalsContact CD2-CE1 3.46Å; F266-F355 AromaticContact CD2-CE2 3.97Å; F266-F355 HydrophobicContact CD2-CE2 3.97Å; F266-F355 HydrophobicContact CD2-CG 4.14Å; F266-F355 AromaticContact CD2-CZ 3.59Å; F266-F355 HydrophobicContact CD2-CZ 3.59Å; F266-F355 HydrophobicContact CE2-CE1 4.31Å; F266-F355 HydrophobicContact CE2-CE2 4.12Å; F266-F355 AromaticContact CE2-CZ 3.97Å; F266-F355 HydrophobicContact CE2-CZ 3.97Å; F266-F355 HydrophobicContact CG-CD1 4.42Å; F266-F355 HydrophobicContact CG-CE1 4.15Å; F355-A367 HydrophobicContact CB-CB 4.4Å; F355-A367 WeakPolarHBondContact O-CB 3.3Å; F355-A367 PolarHBondContact O-N 3.19Å
356Y89.7Confident82.9Confident19 Ų1953.5 Ų53.58%0.07526%0.256CS..EExtended strand (participates in β ladder)trans-133.6149.8169.469.7-97.3000112I264 H265 E267 K358 K364 L365I264-Y356 CarbonylContact C-O 3.54Å; I264-Y356 WeakPolarHBondContact CA-O 3.21Å; H265-Y356 HydrophobicContact CB-CD1 4.11Å; H265-Y356 HydrophobicContact CB-CD2 4.07Å; H265-Y356 HydrophobicContact CB-CE1 3.58Å; H265-Y356 HydrophobicContact CB-CE2 3.5Å; H265-Y356 VanDerWaalsContact CB-CE2 3.5Å; H265-Y356 HydrophobicContact CB-CG 4.35Å; H265-Y356 AromaticContact CD2-CE2 3.49Å; H265-Y356 VanDerWaalsContact CD2-CE2 3.49Å; H265-Y356 WeakPolarHBondContact CD2-CE2 3.47Å; H265-Y356 AromaticContact CG-CE2 3.6Å; H265-Y356 AromaticContact CG-CZ 3.67Å; H265-Y356 PolarHBondContact N-O 2.93Å; H265-Y356 PolarHBondContact O-N 2.84Å; E267-Y356 HydrophobicContact CB-CD1 4.34Å; E267-Y356 HydrophobicContact CB-CE1 3.83Å; E267-Y356 VanDerWaalsContact OE2-CE1 3.29Å; E267-Y356 WeakPolarHBondContact OE2-CE1 3.46Å; Y356-K358 HydrophobicContact CD2-CG 4.2Å; Y356-K358 HydrophobicContact CE2-CD 4.09Å; Y356-K358 HydrophobicContact CE2-CG 4.12Å; Y356-K364 HydrophobicContact CD1-CD 4.44Å; Y356-K364 HydrophobicContact CD2-CB 4.14Å; Y356-K364 HydrophobicContact CD2-CD 4.1Å; Y356-K364 HydrophobicContact CD2-CG 3.81Å; Y356-K364 HydrophobicContact CE1-CD 4.26Å; Y356-K364 HydrophobicContact CE2-CD 3.94Å; Y356-K364 HydrophobicContact CE2-CG 3.82Å; Y356-K364 HydrophobicContact CG-CB 4.48Å; Y356-K364 HydrophobicContact CG-CD 4.35Å; Y356-K364 HydrophobicContact CG-CG 4.4Å; Y356-L365 CarbonylContact C-O 3.58Å; Y356-L365 WeakPolarHBondContact CA-O 3.25Å; Y356-L365 WeakPolarHBondContact CB-O 3.44Å
357A86.7Confident83.1Confident1 Ų145.4 Ų45.41%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-102.2151.117600000111.9W212 L262 T263 L365W212-A357 HydrophobicContact CD2-CB 3.85Å; W212-A357 HydrophobicContact CE3-CB 4Å; W212-A357 HydrophobicContact CH2-CB 3.65Å; W212-A357 HydrophobicContact CZ2-CB 3.47Å; W212-A357 VanDerWaalsContact CZ2-CB 3.47Å; W212-A357 HydrophobicContact CZ3-CB 3.91Å; L262-A357 HydrophobicContact CD1-CB 3.5Å; T263-A357 CarbonylContact O-C 3.58Å; T263-A357 WeakPolarHBondContact O-CA 3.26Å; A357-L365 PolarHBondContact N-O 3.33Å; A357-L365 PolarHBondContact O-N 3.19Å
358K80.3Confident83.4Confident65 Ų6545 Ų4528%0.28322%0.217SC..EExtended strand (participates in β ladder)trans-138.3135.5167.1-70.1-178.8174.9177.70110.6T263 Y356 K364T263-K358 PolarHBondContact N-O 3.22Å; T263-K358 PolarHBondContact O-N 2.97Å; T263-K358 PolarHBondContact OG1-O 2.93Å; Y356-K358 HydrophobicContact CD2-CG 4.2Å; Y356-K358 HydrophobicContact CE2-CD 4.09Å; Y356-K358 HydrophobicContact CE2-CG 4.12Å; K358-K364 HydrophobicContact CG-CG 4.5Å
359Y73.4Confident83.7Confident41 Ų4138.2 Ų38.216%0.16119%0.185CC..EExtended strand (participates in β ladder)trans-106.6118.9165.8-75.2-86.6000109.1L262 Y361 S362 I400L262-Y359 HydrophobicContact CB-CD1 4.35Å; L262-Y359 HydrophobicContact CB-CE1 3.72Å; L262-Y359 HydrophobicContact CD1-CD2 4.21Å; L262-Y359 HydrophobicContact CD1-CE1 4.36Å; L262-Y359 HydrophobicContact CD1-CE2 3.67Å; Y359-Y361 PolarHBondContact O-N 2.95Å; Y359-S362 PolarHBondContact N-OG 2.95Å; Y359-S362 WeakPolarHBondContact O-CB 3.34Å; Y359-S362 PolarHBondContact O-N 2.84Å; Y359-S362 PolarHBondContact O-OG 3.05Å; Y359-S362 VanDerWaalsContact O-OG 3.1Å; Y359-I400 HydrophobicContact CD2-CB 4.39Å; Y359-I400 HydrophobicContact CD2-CG2 4Å; Y359-I400 HydrophobicContact CE2-CB 3.76Å; Y359-I400 HydrophobicContact CE2-CD1 3.64Å; Y359-I400 HydrophobicContact CE2-CG1 4.27Å; Y359-I400 HydrophobicContact CE2-CG2 3.75Å
360S66.9Low84Confident50 Ų5035.4 Ų35.435%0.3517%0.17SC..THydrogen-bonded Turntrans46.6-110.2176.9-37.10000112.6K259 D260K259-S360 WeakPolarHBondContact O-CA 3.14Å; K259-S360 PolarHBondContact O-OG 3.43Å; K259-S360 VanDerWaalsContact O-OG 3.12Å; D260-S360 VanDerWaalsContact CA-OG 3.31Å; D260-S360 WeakPolarHBondContact CA-OG 3.43Å; D260-S360 PolarHBondContact OD1-OG 3.32Å
361Y63Low84.3Confident209 Ų20935.4 Ų35.482%0.8217%0.17SC*.THydrogen-bonded Turntrans-10423.3179-58.5-78.6000113.2Y359Y359-Y361 PolarHBondContact O-N 2.95Å
362S65.4Low84.1Confident48 Ų4833 Ų3334%0.33616%0.157SC..PPolyproline II helixtrans-74.6162.317880.50000112.2Y359Y359-S362 PolarHBondContact N-OG 2.95Å; Y359-S362 WeakPolarHBondContact O-CB 3.34Å; Y359-S362 PolarHBondContact O-N 2.84Å; Y359-S362 PolarHBondContact O-OG 3.05Å; Y359-S362 VanDerWaalsContact O-OG 3.1Å
363H72.3Confident83.7Confident135 Ų13532.7 Ų32.763%0.62516%0.156SC*.PPolyproline II helixtrans-60.1155169.1-58.8-80.7000111.4L365H363-L365 PolarHBondContact O-N 2.9Å
364K82.8Confident83.6Confident59 Ų5932.2 Ų32.226%0.25715%0.151SC..PPolyproline II helixtrans-62.5127.2168.9-73.6-173178.5-171.60108E267 Y356 K358E267-K364 IonicContact OE1-NZ 2.77Å; E267-K364 IonicContact OE2-NZ 3.78Å; E267-K364 PolarHBondContact OE2-NZ 3.21Å; Y356-K364 HydrophobicContact CD1-CD 4.44Å; Y356-K364 HydrophobicContact CD2-CB 4.14Å; Y356-K364 HydrophobicContact CD2-CD 4.1Å; Y356-K364 HydrophobicContact CD2-CG 3.81Å; Y356-K364 HydrophobicContact CE1-CD 4.26Å; Y356-K364 HydrophobicContact CE2-CD 3.94Å; Y356-K364 HydrophobicContact CE2-CG 3.82Å; Y356-K364 HydrophobicContact CG-CB 4.48Å; Y356-K364 HydrophobicContact CG-CD 4.35Å; Y356-K364 HydrophobicContact CG-CG 4.4Å; K358-K364 HydrophobicContact CG-CG 4.5Å
365L85.5Confident83.4Confident12 Ų1233 Ų336%0.06316%0.158CC..EExtended strand (participates in β ladder)trans-114.9110.6174-178.867.6000109.3W212 Y356 A357 H363 M370 I400 V403W212-L365 VanDerWaalsContact CH2-O 3.31Å; W212-L365 WeakPolarHBondContact CH2-O 3.31Å; W212-L365 HydrophobicContact CZ2-CD2 4.38Å; W212-L365 HydrophobicContact CZ2-CG 4.41Å; Y356-L365 CarbonylContact C-O 3.58Å; Y356-L365 WeakPolarHBondContact CA-O 3.25Å; Y356-L365 WeakPolarHBondContact CB-O 3.44Å; A357-L365 PolarHBondContact N-O 3.33Å; A357-L365 PolarHBondContact O-N 3.19Å; H363-L365 PolarHBondContact O-N 2.9Å; L365-M370 HydrophobicContact CD1-CG 3.86Å; L365-M370 HydrophobicContact CD1-SD 3.91Å; L365-M370 HydrophobicContact CD2-CG 3.61Å; L365-M370 HydrophobicContact CD2-SD 3.57Å; L365-M370 VanDerWaalsContact CD2-SD 3.57Å; L365-M370 HydrophobicContact CG-CG 3.59Å; L365-M370 HydrophobicContact CG-SD 4.01Å; L365-I400 HydrophobicContact CD2-CB 4.33Å; L365-I400 HydrophobicContact CD2-CG1 4.31Å; L365-I400 HydrophobicContact CD2-CG2 3.2Å; L365-V403 HydrophobicContact CD1-CG1 4.2Å
366S90Very high82.9Confident1 Ų133.3 Ų33.31%0.00716%0.16CC..EExtended strand (participates in β ladder)trans-72.2147.1178.9-175.90000111E269 C368 D369 M370E269-S366 VanDerWaalsContact OE2-CB 3.32Å; E269-S366 WeakPolarHBondContact OE2-CB 3.26Å; E269-S366 PolarHBondContact OE2-OG 3.3Å; S366-C368 PolarHBondContact O-N 2.96Å; S366-C368 PolarHBondContact OG-N 2.97Å; S366-D369 WeakPolarHBondContact CB-OD2 3.31Å; S366-D369 PolarHBondContact O-N 2.84Å; S366-M370 PolarHBondContact O-N 2.87Å
367A92.4Very high82.8Confident0 Ų032.5 Ų32.50%016%0.157CC..Hα-helixtrans-63.3-32.7172.700000111W212 I216 T219 F355 M370 A371W212-A367 HydrophobicContact CH2-CB 3.82Å; W212-A367 HydrophobicContact CZ3-CB 3.94Å; I216-A367 HydrophobicContact CG1-CB 4.4Å; T219-A367 HydrophobicContact CG2-CB 4.25Å; F355-A367 HydrophobicContact CB-CB 4.4Å; F355-A367 WeakPolarHBondContact O-CB 3.3Å; F355-A367 PolarHBondContact O-N 3.19Å; A367-M370 PolarHBondContact O-N 2.8Å; A367-A371 WeakPolarHBondContact O-CB 2.95Å; A367-A371 PolarHBondContact O-N 3.23Å
368C91.3Very high82.9Confident6 Ų632.4 Ų32.44%0.04116%0.157CC..Hα-helixtrans-66.3-45.8175.4-176.40000111.2T219 V223 Y352 S366 M370 A371 E372T219-C368 HydrophobicContact CG2-CB 3.88Å; V223-C368 HydrophobicContact CG2-CB 4.47Å; V223-C368 VanDerWaalsContact CG2-SG 3.53Å; Y352-C368 WeakPolarHBondContact OH-CB 3.34Å; S366-C368 PolarHBondContact O-N 2.96Å; S366-C368 PolarHBondContact OG-N 2.97Å; C368-M370 VanDerWaalsContact C-N 3.29Å; C368-M370 PolarHBondContact O-N 2.77Å; C368-A371 PolarHBondContact O-N 3.16Å; C368-A371 VanDerWaalsContact O-N 3.16Å; C368-E372 PolarHBondContact O-N 3.05Å
369D88.2Confident83.2Confident3 Ų332.8 Ų32.82%0.01616%0.158CC..Hα-helixtrans-61.7-40.6178-63.5-23.2000111L274 H277 S366 E372 A373L274-D369 VanDerWaalsContact CA-OD1 3.29Å; L274-D369 WeakPolarHBondContact CA-OD1 3.48Å; L274-D369 HydrophobicContact CD2-CB 3.56Å; L274-D369 WeakPolarHBondContact CD2-OD1 3.48Å; L274-D369 PolarHBondContact N-OD1 3.02Å; H277-D369 IonicContact CD2-OD2 2.71Å; H277-D369 IonicContact NE2-OD2 3.09Å; S366-D369 WeakPolarHBondContact CB-OD2 3.31Å; S366-D369 PolarHBondContact O-N 2.84Å; D369-E372 PolarHBondContact O-N 3.24Å; D369-A373 WeakPolarHBondContact O-CB 3.39Å; D369-A373 PolarHBondContact O-N 3.26Å
370M88.6Confident83.4Confident0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-64.4-42.2173.9-78.5-62.8-71.200113W212 I216 L365 S366 A367 C368 E372 A373 L374 L397 I400 V403W212-M370 HydrophobicContact CZ2-CG 4.08Å; I216-M370 HydrophobicContact CD1-CB 3.84Å; I216-M370 HydrophobicContact CD1-CE 4.18Å; I216-M370 HydrophobicContact CD1-CG 4.16Å; I216-M370 HydrophobicContact CG1-CB 3.96Å; I216-M370 HydrophobicContact CG2-CB 4.26Å; L365-M370 HydrophobicContact CD1-CG 3.86Å; L365-M370 HydrophobicContact CD1-SD 3.91Å; L365-M370 HydrophobicContact CD2-CG 3.61Å; L365-M370 HydrophobicContact CD2-SD 3.57Å; L365-M370 VanDerWaalsContact CD2-SD 3.57Å; L365-M370 HydrophobicContact CG-CG 3.59Å; L365-M370 HydrophobicContact CG-SD 4.01Å; S366-M370 PolarHBondContact O-N 2.87Å; A367-M370 PolarHBondContact O-N 2.8Å; C368-M370 VanDerWaalsContact C-N 3.29Å; C368-M370 PolarHBondContact O-N 2.77Å; M370-E372 VanDerWaalsContact C-N 3.35Å; M370-A373 WeakPolarHBondContact O-CB 3.38Å; M370-A373 PolarHBondContact O-N 3.02Å; M370-L374 WeakPolarHBondContact O-CB 3.43Å; M370-L374 WeakPolarHBondContact O-CD1 3.28Å; M370-L374 WeakPolarHBondContact O-CG 3.3Å; M370-L374 PolarHBondContact O-N 3.47Å; M370-L397 HydrophobicContact CE-CD2 4.45Å; M370-I400 HydrophobicContact CE-CG1 4.25Å; M370-V403 HydrophobicContact CE-CG2 4.11Å; M370-V403 HydrophobicContact SD-CB 4.26Å; M370-V403 HydrophobicContact SD-CG1 3.69Å; M370-V403 HydrophobicContact SD-CG2 3.7Å
371A91.8Very high83.7Confident1 Ų134.1 Ų34.11%0.00816%0.161CC..Hα-helixtrans-62.2-44.7177.600000111.2V27 I216 V223 A367 C368 L374 A375V27-A371 HydrophobicContact CG1-CB 4.34Å; I216-A371 HydrophobicContact CG2-CB 4.35Å; V223-A371 HydrophobicContact CG2-CB 4.35Å; A367-A371 WeakPolarHBondContact O-CB 2.95Å; A367-A371 PolarHBondContact O-N 3.23Å; C368-A371 PolarHBondContact O-N 3.16Å; C368-A371 VanDerWaalsContact O-N 3.16Å; A371-L374 PolarHBondContact O-N 2.96Å; A371-A375 WeakPolarHBondContact O-CB 3.27Å; A371-A375 PolarHBondContact O-N 2.77Å
372E86.7Confident84.5Confident25 Ų2533 Ų3312%0.11716%0.161CC..Hα-helixtrans-64-40.1175.1-69.5-172.5167.700112.2V223 S273 L274 C368 D369 M370 A375 A376 M411V223-E372 HydrophobicContact CG1-CG 3.85Å; S273-E372 WeakPolarHBondContact CA-OE2 3.28Å; S273-E372 WeakPolarHBondContact CB-OE1 3.43Å; S273-E372 WeakPolarHBondContact CB-OE2 3.28Å; S273-E372 PolarHBondContact OG-OE1 3.24Å; S273-E372 PolarHBondContact OG-OE2 3.36Å; L274-E372 HydrophobicContact CD2-CB 4.35Å; C368-E372 PolarHBondContact O-N 3.05Å; D369-E372 PolarHBondContact O-N 3.24Å; M370-E372 VanDerWaalsContact C-N 3.35Å; E372-A375 PolarHBondContact O-N 3.3Å; E372-A376 WeakPolarHBondContact O-CB 3.43Å; E372-A376 PolarHBondContact O-N 3.29Å; E372-M411 HydrophobicContact CB-CE 4.42Å; E372-M411 WeakPolarHBondContact OE2-CE 3.37Å
373A85Confident85.3Confident1 Ų135.8 Ų35.81%0.00817%0.172CC..Hα-helixtrans-57.8-49.9175.400000112.1D369 M370 A376 I377 V403 L407D369-A373 WeakPolarHBondContact O-CB 3.39Å; D369-A373 PolarHBondContact O-N 3.26Å; M370-A373 WeakPolarHBondContact O-CB 3.38Å; M370-A373 PolarHBondContact O-N 3.02Å; A373-A376 WeakPolarHBondContact O-CB 3.41Å; A373-A376 PolarHBondContact O-N 3.24Å; A373-A376 VanDerWaalsContact O-N 3.14Å; A373-I377 WeakPolarHBondContact O-CG1 3.46Å; A373-I377 PolarHBondContact O-N 3.12Å; A373-V403 HydrophobicContact CB-CG1 4.4Å; A373-L407 HydrophobicContact CB-CD2 3.3Å; A373-L407 HydrophobicContact CB-CG 4.24Å
374L89.7Confident85.9Confident0 Ų032.9 Ų32.90%017%0.165CC..Hα-helixtrans-67.9-42.1-176.3-68.3167.5000110.6V27 L30 I216 M370 A371 A376 I377 L378 A393 T396 L397V27-L374 HydrophobicContact CG1-CB 3.99Å; V27-L374 HydrophobicContact CG1-CD1 3.88Å; V27-L374 HydrophobicContact CG2-CB 3.9Å; L30-L374 HydrophobicContact CD1-CB 4.32Å; L30-L374 HydrophobicContact CD1-CD2 4.37Å; I216-L374 HydrophobicContact CG2-CD1 3.85Å; M370-L374 WeakPolarHBondContact O-CB 3.43Å; M370-L374 WeakPolarHBondContact O-CD1 3.28Å; M370-L374 WeakPolarHBondContact O-CG 3.3Å; M370-L374 PolarHBondContact O-N 3.47Å; A371-L374 PolarHBondContact O-N 2.96Å; L374-A376 PolarHBondContact O-N 2.98Å; L374-I377 PolarHBondContact O-N 3.35Å; L374-L378 WeakPolarHBondContact O-CG 3.48Å; L374-L378 PolarHBondContact O-N 3.18Å; L374-A393 HydrophobicContact CD2-CB 4.05Å; L374-A393 VanDerWaalsContact CD2-O 3.26Å; L374-A393 WeakPolarHBondContact CD2-O 3.34Å; L374-T396 HydrophobicContact CD2-CG2 4.41Å; L374-L397 HydrophobicContact CD1-CD2 3.64Å; L374-L397 HydrophobicContact CD1-CG 4.18Å; L374-L397 HydrophobicContact CD2-CG 4.36Å
375A88.8Confident86.1Confident18 Ų1832.5 Ų32.515%0.14917%0.169CC..Hα-helixtrans-57.6-39.7171.700000110.8V27 A371 E372 L378 F379V27-A375 HydrophobicContact CG2-CB 3.86Å; A371-A375 WeakPolarHBondContact O-CB 3.27Å; A371-A375 PolarHBondContact O-N 2.77Å; E372-A375 PolarHBondContact O-N 3.3Å; A375-L378 PolarHBondContact O-N 3.24Å; A375-F379 HydrophobicContact CB-CD2 4.18Å; A375-F379 HydrophobicContact CB-CE2 4.38Å; A375-F379 WeakPolarHBondContact O-CB 3.17Å; A375-F379 WeakPolarHBondContact O-CD2 3.13Å; A375-F379 PolarHBondContact O-N 3.26Å
376A83.2Confident86.5Confident5 Ų533.2 Ų33.24%0.04118%0.175CC..Hα-helixtrans-66.9-41.2179.600000113.5E372 A373 L374 L378 F380 D381 H410E372-A376 WeakPolarHBondContact O-CB 3.43Å; E372-A376 PolarHBondContact O-N 3.29Å; A373-A376 WeakPolarHBondContact O-CB 3.41Å; A373-A376 PolarHBondContact O-N 3.24Å; A373-A376 VanDerWaalsContact O-N 3.14Å; L374-A376 PolarHBondContact O-N 2.98Å; A376-L378 VanDerWaalsContact C-N 3.33Å; A376-F380 HydrophobicContact CB-CD2 4.45Å; A376-F380 CarbonylContact O-C 3.52Å; A376-F380 WeakPolarHBondContact O-CA 3.41Å; A376-F380 WeakPolarHBondContact O-CB 3.36Å; A376-F380 PolarHBondContact O-N 3.17Å; A376-D381 PolarHBondContact O-N 3.31Å; A376-H410 HydrophobicContact CB-CB 3.64Å
377I86.9Confident86.7Confident2 Ų235.2 Ų35.21%0.0119%0.192CC..Hα-helixtrans-61.7-43.3172.7-60.8167.6000110.5A373 L374 D381 V392 A393 T396 I406A373-I377 WeakPolarHBondContact O-CG1 3.46Å; A373-I377 PolarHBondContact O-N 3.12Å; L374-I377 PolarHBondContact O-N 3.35Å; I377-D381 VanDerWaalsContact O-CB 3.27Å; I377-D381 WeakPolarHBondContact O-CB 3.37Å; I377-V392 HydrophobicContact CG2-CB 4.28Å; I377-V392 HydrophobicContact CG2-CG1 3.93Å; I377-A393 HydrophobicContact CB-CB 4.15Å; I377-A393 HydrophobicContact CD1-CB 4.37Å; I377-A393 HydrophobicContact CG2-CB 3.86Å; I377-T396 HydrophobicContact CD1-CG2 4.26Å; I377-I406 HydrophobicContact CD1-CD1 4.31Å; I377-I406 HydrophobicContact CD1-CG2 3.87Å; I377-I406 HydrophobicContact CG1-CG2 3.75Å
378L89.4Confident86.7Confident0 Ų040.9 Ų40.90%022%0.222CC..Hα-helixtrans-67.2-43.7-177.5-73.9179.1000113.1Y25 V27 L30 L374 A375 A376 P384 C385 F390 A393Y25-L378 HydrophobicContact CD1-CD2 4.28Å; V27-L378 HydrophobicContact CG2-CD1 4.31Å; L30-L378 HydrophobicContact CD1-CD1 3.71Å; L30-L378 HydrophobicContact CD1-CD2 4.13Å; L30-L378 HydrophobicContact CD1-CG 4.01Å; L30-L378 HydrophobicContact CD2-CD2 4.47Å; L30-L378 HydrophobicContact CG-CD1 4.31Å; L374-L378 WeakPolarHBondContact O-CG 3.48Å; L374-L378 PolarHBondContact O-N 3.18Å; A375-L378 PolarHBondContact O-N 3.24Å; A376-L378 VanDerWaalsContact C-N 3.33Å; L378-P384 CarbonylContact O-C 3.58Å; L378-P384 WeakPolarHBondContact O-CA 3.49Å; L378-C385 PolarHBondContact O-N 3.29Å; L378-F390 HydrophobicContact CD2-CB 4.38Å; L378-F390 HydrophobicContact CD2-CD2 4.46Å; L378-A393 HydrophobicContact CD2-CB 4.1Å; L378-A393 HydrophobicContact CG-CB 4.27Å
379F85.5Confident86.7Confident73 Ų7340.8 Ų40.832%0.3222%0.221SC..Hα-helixtrans-109.5-16.4-165.3-59.6-61.2000114.7Y25 A375 P384 C385Y25-F379 WeakPolarHBondContact O-CZ 3.26Å; A375-F379 HydrophobicContact CB-CD2 4.18Å; A375-F379 HydrophobicContact CB-CE2 4.38Å; A375-F379 WeakPolarHBondContact O-CB 3.17Å; A375-F379 WeakPolarHBondContact O-CD2 3.13Å; A375-F379 PolarHBondContact O-N 3.26Å; F379-P384 WeakPolarHBondContact O-CB 3.04Å; F379-C385 WeakPolarHBondContact CD1-SG 3.39Å; F379-C385 VanDerWaalsContact CE1-SG 3.55Å
380F78.3Confident87Confident67 Ų6740.6 Ų40.629%0.29422%0.22SC..Hα-helixtrans-130.63.3-171.8-57.1-62.1000114.7A376 T414 V417A376-F380 HydrophobicContact CB-CD2 4.45Å; A376-F380 CarbonylContact O-C 3.52Å; A376-F380 WeakPolarHBondContact O-CA 3.41Å; A376-F380 WeakPolarHBondContact O-CB 3.36Å; A376-F380 PolarHBondContact O-N 3.17Å; F380-T414 VanDerWaalsContact CD2-OG1 3.25Å; F380-T414 WeakPolarHBondContact CD2-OG1 3.4Å; F380-T414 HydrophobicContact CE2-CG2 3.83Å; F380-T414 WeakPolarHBondContact CE2-OG1 3.27Å; F380-T414 HydrophobicContact CZ-CG2 4.29Å; F380-V417 HydrophobicContact CE1-CG2 4.18Å; F380-V417 HydrophobicContact CZ-CG2 4.35Å
381D74Confident87.2Confident52 Ų5244.4 Ų44.428%0.27824%0.237SC..SBendtrans-73.4174.2168-160.40.9000110.9A376 I377 D383 P384 H410A376-D381 PolarHBondContact O-N 3.31Å; I377-D381 VanDerWaalsContact O-CB 3.27Å; I377-D381 WeakPolarHBondContact O-CB 3.37Å; D381-D383 PolarHBondContact O-N 3.49Å; D381-D383 VanDerWaalsContact O-N 3.13Å; D381-P384 WeakPolarHBondContact O-CD 3.14Å; D381-H410 IonicContact OD1-NE2 3.91Å
382K78.2Confident87.2Confident185 Ų18547.6 Ų47.680%0.80426%0.257SS*.SBendtrans-51.9-38.5-173.1-65.7178.6-176.7174.50113.8
383D83.9Confident87.3Confident106 Ų10646.4 Ų46.457%0.56725%0.251SS*.SBendtrans-123.881179.8-66.9-51.8000109.3D381 S386D381-D383 PolarHBondContact O-N 3.49Å; D381-D383 VanDerWaalsContact O-N 3.13Å; D383-S386 VanDerWaalsContact O-CB 3.22Å; D383-S386 WeakPolarHBondContact O-CB 3.32Å; D383-S386 PolarHBondContact O-N 2.57Å; D383-S386 PolarHBondContact O-OG 3.05Å
384P84.2Confident87.7Confident74 Ų7446.8 Ų46.848%0.48125%0.253SS..THydrogen-bonded Turntrans-66.7143.1-173.928.8-35.6000111.2L378 F379 D381 S386L378-P384 CarbonylContact O-C 3.58Å; L378-P384 WeakPolarHBondContact O-CA 3.49Å; F379-P384 WeakPolarHBondContact O-CB 3.04Å; D381-P384 WeakPolarHBondContact O-CD 3.14Å; P384-S386 PolarHBondContact O-N 2.78Å
385C86.9Confident87.7Confident52 Ų5251 Ų5135%0.35128%0.275SS..THydrogen-bonded Turntrans52.436-177.5-60.30000113.1Y25 L378 F379Y25-C385 HydrophobicContact CD1-CB 4.16Å; Y25-C385 HydrophobicContact CD2-CB 4.13Å; Y25-C385 HydrophobicContact CE1-CB 4.46Å; Y25-C385 WeakPolarHBondContact CE1-O 3.25Å; Y25-C385 HydrophobicContact CE2-CB 4.43Å; Y25-C385 WeakPolarHBondContact CE2-O 3.48Å; Y25-C385 HydrophobicContact CG-CB 3.99Å; Y25-C385 PolarHBondContact OH-O 3.27Å; L378-C385 PolarHBondContact O-N 3.29Å; F379-C385 WeakPolarHBondContact CD1-SG 3.39Å; F379-C385 VanDerWaalsContact CE1-SG 3.55Å
386S92.8Very high87.6Confident27 Ų2750.7 Ų50.719%0.18927%0.271CS..  trans-96.2156172.566.80000111.2Y25 D383 P384 D388 S389 F390Y25-S386 VanDerWaalsContact CE1-O 3.31Å; Y25-S386 WeakPolarHBondContact CE1-O 3.47Å; D383-S386 VanDerWaalsContact O-CB 3.22Å; D383-S386 WeakPolarHBondContact O-CB 3.32Å; D383-S386 PolarHBondContact O-N 2.57Å; D383-S386 PolarHBondContact O-OG 3.05Å; P384-S386 PolarHBondContact O-N 2.78Å; S386-D388 PolarHBondContact O-N 2.76Å; S386-S389 PolarHBondContact N-OG 2.55Å; S386-S389 PolarHBondContact O-N 3Å; S386-S389 VanDerWaalsContact O-N 3.16Å; S386-S389 PolarHBondContact O-OG 3.29Å; S386-S389 WeakPolarHBondContact OG-CB 3.07Å; S386-S389 PolarHBondContact OG-N 3.44Å; S386-S389 VanDerWaalsContact OG-N 3.1Å; S386-S389 PolarHBondContact OG-OG 3.29Å; S386-F390 PolarHBondContact O-N 3.13Å
387A94.3Very high87.8Confident43 Ų4350.5 Ų50.536%0.35527%0.27SS..Hα-helixtrans-54-38.6174.100000112.2Y25 P51 F390 F391Y25-A387 PolarHBondContact OH-N 2.84Å; P51-A387 HydrophobicContact CG-CB 3.97Å; A387-F390 WeakPolarHBondContact O-CB 3.34Å; A387-F390 PolarHBondContact O-N 3.06Å; A387-F391 HydrophobicContact CB-CE2 4.31Å; A387-F391 WeakPolarHBondContact O-CD2 3.44Å; A387-F391 PolarHBondContact O-N 3.27Å
388D92.7Very high87.4Confident119 Ų11953.5 Ų53.564%0.63629%0.291SS*.Hα-helixtrans-62.5-49.5176.9-68.3-24000111.6S386 F390 F391 V392S386-D388 PolarHBondContact O-N 2.76Å; D388-F390 VanDerWaalsContact C-N 3.26Å; D388-F390 PolarHBondContact O-N 3.36Å; D388-F391 PolarHBondContact O-N 3.22Å; D388-V392 WeakPolarHBondContact O-CB 3Å; D388-V392 VanDerWaalsContact O-CG2 3.25Å; D388-V392 WeakPolarHBondContact O-CG2 3.45Å; D388-V392 PolarHBondContact O-N 2.87Å
389S91.1Very high86.5Confident3 Ų359.1 Ų59.12%0.02132%0.315CS..Hα-helixtrans-57.4-39.9176.569.20000112.2S386 V392 A393S386-S389 PolarHBondContact N-OG 2.55Å; S386-S389 PolarHBondContact O-N 3Å; S386-S389 VanDerWaalsContact O-N 3.16Å; S386-S389 PolarHBondContact O-OG 3.29Å; S386-S389 WeakPolarHBondContact OG-CB 3.07Å; S386-S389 PolarHBondContact OG-N 3.44Å; S386-S389 VanDerWaalsContact OG-N 3.1Å; S386-S389 PolarHBondContact OG-OG 3.29Å; S389-V392 PolarHBondContact O-N 3.22Å; S389-A393 WeakPolarHBondContact O-CB 3.44Å; S389-A393 PolarHBondContact O-N 3.31Å
390F94.7Very high85.4Confident0 Ų056.4 Ų56.40%030%0.304CS..Hα-helixtrans-63.6-48.9177.5-177.8-83.4000112Y25 L30 L49 P51 L378 S386 A387 D388 A393 M394Y25-F390 HydrophobicContact CD1-CB 4.11Å; Y25-F390 AromaticContact CD1-CD2 3.99Å; Y25-F390 HydrophobicContact CD1-CD2 3.99Å; Y25-F390 HydrophobicContact CE1-CB 3.76Å; Y25-F390 HydrophobicContact CE1-CD2 4.22Å; Y25-F390 HydrophobicContact CE1-CG 4.39Å; L30-F390 HydrophobicContact CD2-CD1 4.04Å; L30-F390 HydrophobicContact CD2-CD2 3.52Å; L30-F390 HydrophobicContact CD2-CE1 4Å; L30-F390 HydrophobicContact CD2-CE2 3.5Å; L30-F390 VanDerWaalsContact CD2-CE2 3.5Å; L30-F390 HydrophobicContact CD2-CG 3.8Å; L30-F390 HydrophobicContact CD2-CZ 3.74Å; L30-F390 WeakPolarHBondContact CD2-O 3.5Å; L30-F390 HydrophobicContact CG-CD2 4.5Å; L30-F390 HydrophobicContact CG-CE2 4.31Å; L49-F390 HydrophobicContact CD1-CE1 4.47Å; L49-F390 HydrophobicContact CD2-CE1 3.99Å; L49-F390 HydrophobicContact CG-CE1 4.26Å; P51-F390 HydrophobicContact CB-CB 4.06Å; P51-F390 HydrophobicContact CB-CD1 3.98Å; P51-F390 HydrophobicContact CB-CD2 3.63Å; P51-F390 HydrophobicContact CB-CE1 4.33Å; P51-F390 HydrophobicContact CB-CE2 3.99Å; P51-F390 HydrophobicContact CB-CG 3.62Å; P51-F390 HydrophobicContact CB-CZ 4.34Å; P51-F390 HydrophobicContact CG-CB 4.05Å; P51-F390 HydrophobicContact CG-CD1 4.07Å; P51-F390 HydrophobicContact CG-CD2 4.46Å; P51-F390 HydrophobicContact CG-CG 3.96Å; L378-F390 HydrophobicContact CD2-CB 4.38Å; L378-F390 HydrophobicContact CD2-CD2 4.46Å; S386-F390 PolarHBondContact O-N 3.13Å; A387-F390 WeakPolarHBondContact O-CB 3.34Å; A387-F390 PolarHBondContact O-N 3.06Å; D388-F390 VanDerWaalsContact C-N 3.26Å; D388-F390 PolarHBondContact O-N 3.36Å; F390-A393 PolarHBondContact O-N 3.02Å; F390-M394 HydrophobicContact CE1-SD 4.3Å; F390-M394 WeakPolarHBondContact O-CB 3.48Å; F390-M394 PolarHBondContact O-N 3.3Å
391F93.7Very high84.4Confident79 Ų7961.7 Ų61.735%0.34633%0.329SS..Hα-helixtrans-71.6-30.8179.9-68.5-60.9000112.7L49 A387 D388 N395L49-F391 HydrophobicContact CD2-CE1 4.09Å; L49-F391 HydrophobicContact CG-CE1 4.2Å; A387-F391 HydrophobicContact CB-CE2 4.31Å; A387-F391 WeakPolarHBondContact O-CD2 3.44Å; A387-F391 PolarHBondContact O-N 3.27Å; D388-F391 PolarHBondContact O-N 3.22Å; F391-N395 VanDerWaalsContact O-CB 3.28Å; F391-N395 WeakPolarHBondContact O-CB 3.4Å; F391-N395 PolarHBondContact O-N 2.9Å; F391-N395 PolarHBondContact O-ND2 2.71Å
392V90.6Very high83.6Confident69 Ų6964.9 Ų64.942%0.41834%0.343SS..Hα-helixtrans-63.9-45.2170.7171.50000110.6I377 D388 S389 N395 T396I377-V392 HydrophobicContact CG2-CB 4.28Å; I377-V392 HydrophobicContact CG2-CG1 3.93Å; D388-V392 WeakPolarHBondContact O-CB 3Å; D388-V392 VanDerWaalsContact O-CG2 3.25Å; D388-V392 WeakPolarHBondContact O-CG2 3.45Å; D388-V392 PolarHBondContact O-N 2.87Å; S389-V392 PolarHBondContact O-N 3.22Å; V392-N395 PolarHBondContact O-N 3.06Å; V392-T396 PolarHBondContact O-N 3.09Å; V392-T396 PolarHBondContact O-OG1 2.65Å
393A90.6Very high82.5Confident0 Ų056.2 Ų56.20%031%0.305CS..Hα-helixtrans-63.9-45176.500000111.5L30 L374 I377 L378 S389 F390 N395 T396 L397L30-A393 HydrophobicContact CD1-CB 3.41Å; L30-A393 VanDerWaalsContact CD1-CB 3.41Å; L30-A393 HydrophobicContact CD2-CB 4.22Å; L30-A393 HydrophobicContact CG-CB 4.49Å; L374-A393 HydrophobicContact CD2-CB 4.05Å; L374-A393 VanDerWaalsContact CD2-O 3.26Å; L374-A393 WeakPolarHBondContact CD2-O 3.34Å; I377-A393 HydrophobicContact CB-CB 4.15Å; I377-A393 HydrophobicContact CD1-CB 4.37Å; I377-A393 HydrophobicContact CG2-CB 3.86Å; L378-A393 HydrophobicContact CD2-CB 4.1Å; L378-A393 HydrophobicContact CG-CB 4.27Å; S389-A393 WeakPolarHBondContact O-CB 3.44Å; S389-A393 PolarHBondContact O-N 3.31Å; F390-A393 PolarHBondContact O-N 3.02Å; A393-N395 VanDerWaalsContact C-N 3.32Å; A393-N395 PolarHBondContact O-N 2.63Å; A393-T396 VanDerWaalsContact O-CB 3.3Å; A393-T396 WeakPolarHBondContact O-CB 2.98Å; A393-T396 PolarHBondContact O-N 2.82Å; A393-T396 VanDerWaalsContact O-N 3.08Å; A393-L397 PolarHBondContact O-N 3Å
394M92Very high81.1Confident9 Ų953.1 Ų53.14%0.04430%0.298CS..Hα-helixtrans-62.7-36.8177-166.8179-176.200112.5L30 C33 K34 Q37 L49 F390 T396 L397L30-M394 HydrophobicContact CD2-CB 4.08Å; C33-M394 HydrophobicContact CB-CE 3.95Å; K34-M394 HydrophobicContact CB-CE 4.23Å; K34-M394 HydrophobicContact CD-CE 3.86Å; K34-M394 HydrophobicContact CD-CG 4.11Å; Q37-M394 HydrophobicContact CB-CE 4.47Å; L49-M394 HydrophobicContact CD2-CE 4.05Å; L49-M394 HydrophobicContact CD2-SD 3.76Å; F390-M394 HydrophobicContact CE1-SD 4.3Å; F390-M394 WeakPolarHBondContact O-CB 3.48Å; F390-M394 PolarHBondContact O-N 3.3Å; M394-T396 VanDerWaalsContact C-N 3.33Å; M394-L397 WeakPolarHBondContact O-CB 3.28Å; M394-L397 PolarHBondContact O-N 3.42Å
395N89.5Confident79.7Confident89 Ų8956.2 Ų56.248%0.47631%0.311SS..Hα-helixtrans-70.1-30.6174.6-78-39.1000112.6F391 V392 A393 L397 S398 K399F391-N395 VanDerWaalsContact O-CB 3.28Å; F391-N395 WeakPolarHBondContact O-CB 3.4Å; F391-N395 PolarHBondContact O-N 2.9Å; F391-N395 PolarHBondContact O-ND2 2.71Å; V392-N395 PolarHBondContact O-N 3.06Å; A393-N395 VanDerWaalsContact C-N 3.32Å; A393-N395 PolarHBondContact O-N 2.63Å; N395-L397 VanDerWaalsContact C-N 3.27Å; N395-L397 PolarHBondContact O-N 2.85Å; N395-S398 PolarHBondContact O-N 2.99Å; N395-K399 PolarHBondContact O-N 3.18Å
396T87.3Confident78.4Confident11 Ų1155.3 Ų55.37%0.06730%0.302CS..Hα-helixtrans-62.8-33.8176.2-59.70000111.6L374 I377 V392 A393 M394 S398 K399 V403 I406L374-T396 HydrophobicContact CD2-CG2 4.41Å; I377-T396 HydrophobicContact CD1-CG2 4.26Å; V392-T396 PolarHBondContact O-N 3.09Å; V392-T396 PolarHBondContact O-OG1 2.65Å; A393-T396 VanDerWaalsContact O-CB 3.3Å; A393-T396 WeakPolarHBondContact O-CB 2.98Å; A393-T396 PolarHBondContact O-N 2.82Å; A393-T396 VanDerWaalsContact O-N 3.08Å; M394-T396 VanDerWaalsContact C-N 3.33Å; T396-S398 PolarHBondContact O-N 3.01Å; T396-K399 CarbonylContact O-C 3.57Å; T396-K399 PolarHBondContact O-N 2.77Å; T396-K399 VanDerWaalsContact O-N 3.08Å; T396-V403 HydrophobicContact CG2-CG2 3.7Å; T396-I406 HydrophobicContact CG2-CD1 3.99Å
397L87.5Confident76.6Confident1 Ų154.2 Ų54.21%0.00529%0.294CS..THydrogen-bonded Turntrans-58.1-29.4172-71.4169.7000113.3L30 K34 W213 I216 M370 L374 A393 M394 N395L30-L397 HydrophobicContact CB-CD1 4.18Å; K34-L397 HydrophobicContact CB-CD1 4.04Å; K34-L397 HydrophobicContact CG-CB 4.5Å; K34-L397 HydrophobicContact CG-CD1 4.26Å; W213-L397 PolarHBondContact NE1-O 3.21Å; I216-L397 HydrophobicContact CD1-CD2 3.83Å; M370-L397 HydrophobicContact CE-CD2 4.45Å; L374-L397 HydrophobicContact CD1-CD2 3.64Å; L374-L397 HydrophobicContact CD1-CG 4.18Å; L374-L397 HydrophobicContact CD2-CG 4.36Å; A393-L397 PolarHBondContact O-N 3Å; M394-L397 WeakPolarHBondContact O-CB 3.28Å; M394-L397 PolarHBondContact O-N 3.42Å; N395-L397 VanDerWaalsContact C-N 3.27Å; N395-L397 PolarHBondContact O-N 2.85Å
398S78.4Confident74.5Confident64 Ų6455.5 Ų55.545%0.44831%0.305SS..THydrogen-bonded Turntrans-89.9-19.1176.5-67.60000113.9K34 N395 T396K34-S398 WeakPolarHBondContact CE-OG 3.21Å; K34-S398 PolarHBondContact NZ-OG 2.98Å; N395-S398 PolarHBondContact O-N 2.99Å; T396-S398 PolarHBondContact O-N 3.01Å
399K70.8Confident72.4Confident118 Ų11853.2 Ų53.251%0.51330%0.302SS..  trans-120.152.1-171.9-67.8-176.6-179.2174.20112.2N395 T396 Q401 Q402N395-K399 PolarHBondContact O-N 3.18Å; T396-K399 CarbonylContact O-C 3.57Å; T396-K399 PolarHBondContact O-N 2.77Å; T396-K399 VanDerWaalsContact O-N 3.08Å; K399-Q401 PolarHBondContact O-N 3.08Å; K399-Q402 PolarHBondContact O-N 3.14Å
400I62.5Low70.5Confident17 Ų1754.5 Ų54.59%0.08731%0.308CS..G310 helixtrans-54.2-30.8-173.5-75.7168.9000113.7Y359 L365 M370 Q402 V403Y359-I400 HydrophobicContact CD2-CB 4.39Å; Y359-I400 HydrophobicContact CD2-CG2 4Å; Y359-I400 HydrophobicContact CE2-CB 3.76Å; Y359-I400 HydrophobicContact CE2-CD1 3.64Å; Y359-I400 HydrophobicContact CE2-CG1 4.27Å; Y359-I400 HydrophobicContact CE2-CG2 3.75Å; L365-I400 HydrophobicContact CD2-CB 4.33Å; L365-I400 HydrophobicContact CD2-CG1 4.31Å; L365-I400 HydrophobicContact CD2-CG2 3.2Å; M370-I400 HydrophobicContact CE-CG1 4.25Å; I400-Q402 PolarHBondContact O-N 3.29Å; I400-V403 WeakPolarHBondContact O-CB 3.32Å; I400-V403 VanDerWaalsContact O-CG2 3.25Å; I400-V403 WeakPolarHBondContact O-CG2 3.36Å; I400-V403 PolarHBondContact O-N 3.12Å; I400-V403 VanDerWaalsContact O-N 3.15Å
401Q56.9Low68.4Low177 Ų17755.5 Ų55.583%0.82731%0.313SS*.G310 helixtrans-59.2-20.8177.9-66.7179.3-11.300114.2K399K399-Q401 PolarHBondContact O-N 3.08Å
402Q56.4Low66.3Low120 Ų12059.6 Ų59.656%0.56133%0.333SS*.G310 helixtrans-94.3-6.4-177.8-62.1-176.8-4.100113.8K399 I400 G404 N405K399-Q402 PolarHBondContact O-N 3.14Å; I400-Q402 PolarHBondContact O-N 3.29Å; Q402-G404 VanDerWaalsContact C-N 3.31Å; Q402-G404 PolarHBondContact O-N 2.99Å; Q402-N405 PolarHBondContact O-N 3.36Å
403V56.6Low64.2Low3 Ų358.6 Ų58.62%0.01833%0.329CS..Hα-helixtrans-63.4-34.3-171.5173.80000112.5L365 M370 A373 T396 I400 N405 I406 L407L365-V403 HydrophobicContact CD1-CG1 4.2Å; M370-V403 HydrophobicContact CE-CG2 4.11Å; M370-V403 HydrophobicContact SD-CB 4.26Å; M370-V403 HydrophobicContact SD-CG1 3.69Å; M370-V403 HydrophobicContact SD-CG2 3.7Å; A373-V403 HydrophobicContact CB-CG1 4.4Å; T396-V403 HydrophobicContact CG2-CG2 3.7Å; I400-V403 WeakPolarHBondContact O-CB 3.32Å; I400-V403 VanDerWaalsContact O-CG2 3.25Å; I400-V403 WeakPolarHBondContact O-CG2 3.36Å; I400-V403 PolarHBondContact O-N 3.12Å; I400-V403 VanDerWaalsContact O-N 3.15Å; V403-N405 PolarHBondContact O-N 2.97Å; V403-N405 VanDerWaalsContact O-N 3.15Å; V403-I406 WeakPolarHBondContact O-CB 3.45Å; V403-I406 PolarHBondContact O-N 3.31Å; V403-L407 HydrophobicContact CG1-CD1 3.74Å; V403-L407 HydrophobicContact CG1-CD2 4.4Å; V403-L407 HydrophobicContact CG1-CG 3.77Å; V403-L407 WeakPolarHBondContact O-CG 3.39Å; V403-L407 PolarHBondContact O-N 3.35Å
404G54.3Low61.9Low41 Ų4160.6 Ų60.642%0.42334%0.342SS..Hα-helixtrans-55-37.4-177.500000113.9Q402Q402-G404 VanDerWaalsContact C-N 3.31Å; Q402-G404 PolarHBondContact O-N 2.99Å
405N55.1Low59.7Low139 Ų13962.8 Ų62.874%0.74335%0.353SS*.Hα-helixtrans-76.4-30.7178.9-67.2-14.2000112.6Q402 V403Q402-N405 PolarHBondContact O-N 3.36Å; V403-N405 PolarHBondContact O-N 2.97Å; V403-N405 VanDerWaalsContact O-N 3.15Å
406I57.6Low57.4Low32 Ų3262.7 Ų62.716%0.16436%0.36CS..Hα-helixtrans-71.3-43-179.5-62.6175.8000110.1I377 T396 V403 A408 A409 H410I377-I406 HydrophobicContact CD1-CD1 4.31Å; I377-I406 HydrophobicContact CD1-CG2 3.87Å; I377-I406 HydrophobicContact CG1-CG2 3.75Å; T396-I406 HydrophobicContact CG2-CD1 3.99Å; V403-I406 WeakPolarHBondContact O-CB 3.45Å; V403-I406 PolarHBondContact O-N 3.31Å; I406-A408 VanDerWaalsContact C-N 3.35Å; I406-A408 PolarHBondContact O-N 2.99Å; I406-A409 PolarHBondContact O-N 3.41Å; I406-H410 PolarHBondContact O-N 3.09Å; I406-H410 PolarHBondContact O-ND1 2.8Å
407L56.1Low55.3Low5 Ų567 Ų673%0.02639%0.386CS..Hα-helixtrans-56.8-45-179.1-75178.3000112.6L274 H277 A373 V403 M411L274-L407 HydrophobicContact CD1-CB 3.97Å; L274-L407 HydrophobicContact CD1-CD2 3.67Å; L274-L407 HydrophobicContact CD1-CG 4.3Å; L274-L407 HydrophobicContact CD2-CD1 4.35Å; L274-L407 HydrophobicContact CD2-CD2 3.59Å; L274-L407 HydrophobicContact CG-CD2 4.31Å; H277-L407 HydrophobicContact CB-CB 4.41Å; H277-L407 HydrophobicContact CB-CD1 3.89Å; H277-L407 WeakPolarHBondContact CD2-CD1 3.46Å; A373-L407 HydrophobicContact CB-CD2 3.3Å; A373-L407 HydrophobicContact CB-CG 4.24Å; V403-L407 HydrophobicContact CG1-CD1 3.74Å; V403-L407 HydrophobicContact CG1-CD2 4.4Å; V403-L407 HydrophobicContact CG1-CG 3.77Å; V403-L407 WeakPolarHBondContact O-CG 3.39Å; V403-L407 PolarHBondContact O-N 3.35Å; L407-M411 WeakPolarHBondContact O-CG 3.44Å
408A50.1Low53.1Low69 Ų6969.3 Ų69.357%0.5740%0.4SS*.Hα-helixtrans-68.2-40.3179.400000112.7I406I406-A408 VanDerWaalsContact C-N 3.35Å; I406-A408 PolarHBondContact O-N 2.99Å
409A49.6Very low51.2Low71 Ų7169.5 Ų69.559%0.58740%0.398SS*.Hα-helixtrans-75.1-30.6-171.300000114.6I406I406-A409 PolarHBondContact O-N 3.41Å
410H50.7Low49.6Very low31 Ų3169 Ų6914%0.14441%0.408CS..Hα-helixtrans-94.8-10.4-171-64.776.8000113.9A376 D381 I406 S413A376-H410 HydrophobicContact CB-CB 3.64Å; D381-H410 IonicContact OD1-NE2 3.91Å; I406-H410 PolarHBondContact O-N 3.09Å; I406-H410 PolarHBondContact O-ND1 2.8Å; H410-S413 WeakPolarHBondContact O-CB 3.25Å; H410-S413 PolarHBondContact O-N 2.87Å
411M51.1Low48.6Very low20 Ų2072.8 Ų72.810%0.09942%0.421CS..Hα-helixtrans-81.4-25.9-172.6-83.1-138.9149.800115.7L274 W278 E372 L407 S413 T414 L415L274-M411 HydrophobicContact CB-CE 4.43Å; L274-M411 HydrophobicContact CB-SD 4.38Å; L274-M411 HydrophobicContact CD1-CE 3.26Å; L274-M411 HydrophobicContact CD1-CG 3.79Å; L274-M411 HydrophobicContact CD1-SD 3.21Å; L274-M411 WeakPolarHBondContact CD1-SD 3.19Å; L274-M411 HydrophobicContact CD2-CE 4.29Å; L274-M411 HydrophobicContact CG-CE 3.37Å; L274-M411 HydrophobicContact CG-SD 3.77Å; W278-M411 HydrophobicContact CE3-SD 3.9Å; W278-M411 HydrophobicContact CH2-CB 4.44Å; W278-M411 HydrophobicContact CZ3-CB 4.24Å; W278-M411 HydrophobicContact CZ3-SD 3.73Å; E372-M411 HydrophobicContact CB-CE 4.42Å; E372-M411 WeakPolarHBondContact OE2-CE 3.37Å; L407-M411 WeakPolarHBondContact O-CG 3.44Å; M411-S413 PolarHBondContact O-N 3.27Å; M411-S413 VanDerWaalsContact O-N 3.08Å; M411-T414 PolarHBondContact O-N 2.92Å; M411-L415 WeakPolarHBondContact O-CD1 3.49Å; M411-L415 PolarHBondContact O-N 3.02Å
412E49Very low47.9Very low165 Ų16568 Ų6877%0.77141%0.407SS*.Hα-helixtrans-55.3-27.1170-70.2-169.9165.700111.3L415E412-L415 WeakPolarHBondContact O-CB 3.29Å
413S46.6Very low47.5Very low49 Ų4973.1 Ų73.134%0.34342%0.422SS..Hα-helixtrans-78.3-48.4178.5-53.20000113.5H410 M411 L415 S416H410-S413 WeakPolarHBondContact O-CB 3.25Å; H410-S413 PolarHBondContact O-N 2.87Å; M411-S413 PolarHBondContact O-N 3.27Å; M411-S413 VanDerWaalsContact O-N 3.08Å; S413-L415 PolarHBondContact O-N 3.49Å; S413-S416 PolarHBondContact O-N 3.14Å; S413-S416 PolarHBondContact O-OG 2.72Å
414T41.7Very low47.1Very low42 Ų4275.1 Ų75.126%0.25844%0.436SS..Hα-helixtrans-58.6-30.5179-49.20000112.1F380 M411 S416 V417F380-T414 VanDerWaalsContact CD2-OG1 3.25Å; F380-T414 WeakPolarHBondContact CD2-OG1 3.4Å; F380-T414 HydrophobicContact CE2-CG2 3.83Å; F380-T414 WeakPolarHBondContact CE2-OG1 3.27Å; F380-T414 HydrophobicContact CZ-CG2 4.29Å; M411-T414 PolarHBondContact O-N 2.92Å; T414-S416 PolarHBondContact O-N 2.69Å; T414-S416 VanDerWaalsContact O-N 3.12Å; T414-V417 PolarHBondContact O-N 3.07Å
415L46.1Very low47Very low54 Ų5482.5 Ų82.528%0.28346%0.456SS..THydrogen-bonded Turntrans-52.1-33.4-179.3-123.986.4000115.1W278 F286 M411 E412 S413 V417W278-L415 HydrophobicContact CH2-CD1 3.71Å; W278-L415 HydrophobicContact CZ3-CD1 4.3Å; F286-L415 HydrophobicContact CB-CD1 4.43Å; F286-L415 HydrophobicContact CD1-CD1 3.73Å; F286-L415 HydrophobicContact CD1-CD2 4.11Å; F286-L415 HydrophobicContact CD1-CG 3.58Å; F286-L415 HydrophobicContact CD2-CD1 3.6Å; F286-L415 HydrophobicContact CD2-CG 4.32Å; F286-L415 HydrophobicContact CE1-CD1 3.73Å; F286-L415 HydrophobicContact CE1-CD2 3.32Å; F286-L415 HydrophobicContact CE1-CG 3.34Å; F286-L415 HydrophobicContact CE2-CD1 3.61Å; F286-L415 HydrophobicContact CE2-CD2 4.1Å; F286-L415 HydrophobicContact CE2-CG 4.14Å; F286-L415 HydrophobicContact CG-CD1 3.65Å; F286-L415 HydrophobicContact CG-CG 4.06Å; F286-L415 HydrophobicContact CZ-CD1 3.65Å; F286-L415 HydrophobicContact CZ-CD2 3.3Å; F286-L415 HydrophobicContact CZ-CG 3.63Å; M411-L415 WeakPolarHBondContact O-CD1 3.49Å; M411-L415 PolarHBondContact O-N 3.02Å; E412-L415 WeakPolarHBondContact O-CB 3.29Å; S413-L415 PolarHBondContact O-N 3.49Å; L415-V417 PolarHBondContact O-N 3.48Å
416S41.8Very low46.9Very low88 Ų8886 Ų8662%0.61546%0.459SS*.THydrogen-bonded Turntrans-68.4-21.1-173.761.10000113S413 T414S413-S416 PolarHBondContact O-N 3.14Å; S413-S416 PolarHBondContact O-OG 2.72Å; T414-S416 PolarHBondContact O-N 2.69Å; T414-S416 VanDerWaalsContact O-N 3.12Å
417V43Very low46.9Very low101 Ų10188.8 Ų88.861%0.61247%0.471SS*.THydrogen-bonded Turntrans-93.5-23.8-166.2-171.60000113.9F380 T414 L415 T419F380-V417 HydrophobicContact CE1-CG2 4.18Å; F380-V417 HydrophobicContact CZ-CG2 4.35Å; T414-V417 PolarHBondContact O-N 3.07Å; L415-V417 PolarHBondContact O-N 3.48Å; V417-T419 VanDerWaalsContact C-N 3.3Å; V417-T419 PolarHBondContact O-N 3.06Å; V417-T419 VanDerWaalsContact O-N 3.17Å
418V41.4Very low47Very low50 Ų5094.4 Ų94.430%0.30350%0.495SS..THydrogen-bonded Turntrans-79.52.3-168.3-1770000114.7R288 A291 C420R288-V418 HydrophobicContact CG-CG1 4.49Å; A291-V418 HydrophobicContact CB-CG1 4.22Å; V418-C420 PolarHBondContact O-N 3.28Å
419T37.5Very low47.8Very low67 Ų6794.6 Ų94.641%0.41149%0.487SS..THydrogen-bonded Turntrans-91.22.5-159.357.40000118.6W297 V417 R421W297-T419 HydrophobicContact CB-CG2 4.21Å; V417-T419 VanDerWaalsContact C-N 3.3Å; V417-T419 PolarHBondContact O-N 3.06Å; V417-T419 VanDerWaalsContact O-N 3.17Å; T419-R421 PolarHBondContact O-N 2.88Å
420C37.5Very low49Very low108 Ų10896.9 Ų96.973%0.7348%0.484SS*.  trans-101.986.4-174.3-71.10000114V418V418-C420 PolarHBondContact O-N 3.28Å
421R42Very low50.4Low96 Ų9698.2 Ų98.236%0.36250%0.495SS..  trans-114.8131155.2-86.6-169.8168.4-1762.4111.5W297 T419W297-R421 HydrophobicContact CH2-CB 3.99Å; W297-R421 HydrophobicContact CZ2-CB 4.26Å; T419-R421 PolarHBondContact O-N 2.88Å
422S42.8Very low51.9Low76 Ų76102.6 Ų102.653%0.53151%0.514SS..  trans-56.7143.7170.8175.30000111.5S424S422-S424 PolarHBondContact O-N 3.03Å; S422-S424 VanDerWaalsContact O-N 3.17Å; S422-S424 PolarHBondContact OG-N 3.44Å
423R46.6Very low53.7Low229 Ų22996.5 Ų96.586%0.86449%0.488SS*.SBendtrans-61-23.6178.8-76.1-177172.6178.1-0.7113.3R295R295-R423 PolarHBondContact NH2-O 3.45Å
424S47.5Very low55.7Low45 Ų4596.4 Ų96.432%0.31549%0.485SS..  trans-90.2124.9-168.51660000112.4S422 R426 H427S422-S424 PolarHBondContact O-N 3.03Å; S422-S424 VanDerWaalsContact O-N 3.17Å; S422-S424 PolarHBondContact OG-N 3.44Å; S424-R426 PolarHBondContact O-N 3.35Å; S424-R426 WeakPolarHBondContact OG-CB 3.36Å; S424-R426 PolarHBondContact OG-N 3.47Å; S424-H427 PolarHBondContact O-N 2.9Å; S424-H427 PolarHBondContact OG-CD2 3.08Å
425K52.4Low58Low196 Ų19697.1 Ų97.185%0.85249%0.486SS*.G310 helixtrans-54.2-23.4172.5-67.8-170178.8-174.30112.6H427 K428K425-H427 PolarHBondContact O-N 3.5Å; K425-H427 VanDerWaalsContact O-N 3.17Å; K425-K428 PolarHBondContact O-N 3.09Å
426R53.4Low59.9Low213 Ų21398.4 Ų98.480%0.80450%0.496SS*.G310 helixtrans-66.5-12-178.7-60.6-176.5175.5175.8-1.8114.4S424 K430S424-R426 PolarHBondContact O-N 3.35Å; S424-R426 WeakPolarHBondContact OG-CB 3.36Å; S424-R426 PolarHBondContact OG-N 3.47Å; R426-K430 WeakPolarHBondContact O-CE 3.39Å
427H57.8Low62Low90 Ų9097.8 Ų97.842%0.41749%0.492SS..G310 helixtrans-114.87.3-175.9-53.3-94.6000114S424 K425 N429 K430S424-H427 PolarHBondContact O-N 2.9Å; S424-H427 PolarHBondContact OG-CD2 3.08Å; K425-H427 PolarHBondContact O-N 3.5Å; K425-H427 VanDerWaalsContact O-N 3.17Å; H427-N429 PolarHBondContact O-N 2.96Å; H427-N429 VanDerWaalsContact O-N 3.09Å; H427-K430 HydrophobicContact CB-CB 4.48Å; H427-K430 HydrophobicContact CB-CD 4.48Å; H427-K430 PolarHBondContact O-N 3.4Å
428K58.8Low63.8Low123 Ų12395.2 Ų95.254%0.53548%0.475SS..THydrogen-bonded Turntrans-53.7-36.6-174.4-168.5-173.9174-169.50112.5K425K425-K428 PolarHBondContact O-N 3.09Å
429N66.5Low65.2Low73 Ų73101.5 Ų101.539%0.3950%0.501SS..THydrogen-bonded Turntrans-123.332.6-174.3-50.3-26.3000111.2H427 I455H427-N429 PolarHBondContact O-N 2.96Å; H427-N429 VanDerWaalsContact O-N 3.09Å; N429-I455 HydrophobicContact CB-CD1 4.02Å; N429-I455 WeakPolarHBondContact ND2-CD1 3.42Å
430K74.7Confident66.6Low119 Ų119106 Ų10652%0.51752%0.522SS..  trans-97.7146.6174.8-73.9-166.2176.5-163.20109.8R426 H427R426-K430 WeakPolarHBondContact O-CE 3.39Å; H427-K430 HydrophobicContact CB-CB 4.48Å; H427-K430 HydrophobicContact CB-CD 4.48Å; H427-K430 PolarHBondContact O-N 3.4Å
431P80.4Confident68Low58 Ų58106.8 Ų106.838%0.37751%0.51SS..  trans-63.9154.4172.130.8-34.7000109.8P452 F466P431-P452 HydrophobicContact CB-CG 4.03Å; P431-P452 HydrophobicContact CG-CG 4.44Å; P431-F466 HydrophobicContact CB-CE2 3.66Å; P431-F466 HydrophobicContact CB-CZ 3.67Å; P431-F466 HydrophobicContact CG-CZ 4.47Å
432F81.5Confident69.1Low113 Ų113109.2 Ų109.250%0.49653%0.53SS..EExtended strand (participates in β ladder)trans-133.5137.5-175.3-171.9-121.9000110.7V434 I450F432-V434 HydrophobicContact CD1-CG2 3.57Å; F432-V434 HydrophobicContact CE1-CG2 3.28Å; F432-V434 HydrophobicContact CZ-CG2 4.23Å; F432-I450 HydrophobicContact CB-CB 4.38Å; F432-I450 HydrophobicContact CD1-CD1 4.26Å; F432-I450 PolarHBondContact N-O 2.91Å; F432-I450 WeakPolarHBondContact O-CA 3.39Å; F432-I450 WeakPolarHBondContact O-CB 3.15Å; F432-I450 PolarHBondContact O-N 2.88Å
433V88.1Confident71Confident37 Ų37108 Ų10822%0.22452%0.521CS..EExtended strand (participates in β ladder)trans-115.2125.8175.2-179.50000107.7I435 V447 A448 F466 L505V433-I435 HydrophobicContact CG1-CG1 4.17Å; V433-V447 HydrophobicContact CG1-CG1 3.77Å; V433-A448 WeakPolarHBondContact CA-O 3.31Å; V433-F466 HydrophobicContact CG2-CD1 4.23Å; V433-F466 HydrophobicContact CG2-CE1 3.42Å; V433-F466 VanDerWaalsContact CG2-CE1 3.42Å; V433-F466 HydrophobicContact CG2-CZ 3.59Å; V433-L505 HydrophobicContact CG2-CD2 3.85Å
434V88.1Confident73Confident46 Ų4697.6 Ų97.628%0.27948%0.484SS..EExtended strand (participates in β ladder)trans-104.3129.4175.9179.70000108.2F432 V436 V447 A448 I450F432-V434 HydrophobicContact CD1-CG2 3.57Å; F432-V434 HydrophobicContact CE1-CG2 3.28Å; F432-V434 HydrophobicContact CZ-CG2 4.23Å; V434-V436 HydrophobicContact CG1-CG2 3.89Å; V434-V447 CarbonylContact O-C 3.53Å; V434-V447 WeakPolarHBondContact O-CA 3.49Å; V434-A448 PolarHBondContact N-O 3.4Å; V434-A448 PolarHBondContact O-N 2.91Å; V434-I450 HydrophobicContact CG2-CD1 3.86Å
435I89.7Confident75Confident58 Ų5895.9 Ų95.930%0.29747%0.472SS..EExtended strand (participates in β ladder)trans-122.1124.7173.7-54.6-172.7000108.1V433 L446 V447 T498 L502V433-I435 HydrophobicContact CG1-CG1 4.17Å; I435-L446 CarbonylContact C-O 3.47Å; I435-L446 WeakPolarHBondContact CA-O 3.47Å; I435-V447 HydrophobicContact CD1-CG2 4.31Å; I435-V447 HydrophobicContact CG1-CG1 4.26Å; I435-V447 HydrophobicContact CG1-CG2 4.1Å; I435-V447 HydrophobicContact CG2-CG2 4.32Å; I435-T498 HydrophobicContact CD1-CG2 3.95Å; I435-L502 HydrophobicContact CD1-CD1 4.16Å; I435-L502 HydrophobicContact CD1-CD2 3.88Å; I435-L502 HydrophobicContact CD1-CG 4.14Å
436V87.5Confident76.9Confident80 Ų8088.9 Ų88.949%0.48544%0.444SS..EExtended strand (participates in β ladder)trans-124.8122.7178.5-175.90000109V434 S445 L446V434-V436 HydrophobicContact CG1-CG2 3.89Å; V436-S445 CarbonylContact O-C 3.5Å; V436-S445 WeakPolarHBondContact O-CA 3.28Å; V436-L446 PolarHBondContact N-O 3.12Å; V436-L446 PolarHBondContact O-N 3.29Å
437S85.5Confident78.8Confident76 Ų7678.7 Ų78.753%0.53141%0.406SS..EExtended strand (participates in β ladder)trans-69.5131.4173.4-167.90000110.1Q439S437-Q439 PolarHBondContact O-N 3.5Å
438L79.7Confident80.4Confident47 Ų4775.6 Ų75.625%0.24640%0.395CS..  trans-80.5119.3179.4-64.3174.2000110N440 R441 A444 L446L438-N440 PolarHBondContact O-N 3.23Å; L438-R441 HydrophobicContact CB-CB 4.27Å; L438-R441 CarbonylContact O-C 3.58Å; L438-R441 PolarHBondContact O-N 2.92Å; L438-A444 WeakPolarHBondContact CB-O 2.96Å; L438-A444 HydrophobicContact CD1-CB 4.1Å; L438-A444 PolarHBondContact N-O 2.74Å; L438-A444 VanDerWaalsContact N-O 3.14Å; L438-L446 HydrophobicContact CD2-CB 4.25Å
439Q70.7Confident82Confident182 Ų18269.7 Ų69.785%0.8537%0.37SS*.THydrogen-bonded Turntrans-60.4-31.2-176.5-67.8-172.1-9.300113.8S437S437-Q439 PolarHBondContact O-N 3.5Å
440N68Low82.9Confident161 Ų16170 Ų7086%0.86137%0.371SS*.THydrogen-bonded Turntrans-94.7-1-176.8-65.3-20.3000113.4L438L438-N440 PolarHBondContact O-N 3.23Å
441R67.3Low83.2Confident124 Ų12466.3 Ų66.347%0.46836%0.358SS..  trans-142.283.1-179.2-70.4-169.2176-175.9-0.3108.8L438 S443 A444 E492L438-R441 HydrophobicContact CB-CB 4.27Å; L438-R441 CarbonylContact O-C 3.58Å; L438-R441 PolarHBondContact O-N 2.92Å; R441-S443 PolarHBondContact O-N 3.5Å; R441-A444 HydrophobicContact CB-CB 4.25Å; R441-A444 PolarHBondContact O-N 3.35Å; R441-E492 IonicContact NH1-OE2 3.56Å
442D65.1Low83Confident148 Ų14866 Ų6679%0.79136%0.357SS*.THydrogen-bonded Turntrans-52.5-19.7-176.7-67.7-29000114.6
443S81.9Confident82.2Confident50 Ų5065.4 Ų65.435%0.3536%0.358SS..THydrogen-bonded Turntrans-96.9-2.1-179.555.70000115.1R441 Y494 A495R441-S443 PolarHBondContact O-N 3.5Å; S443-Y494 VanDerWaalsContact CB-CZ 3.4Å; S443-Y494 WeakPolarHBondContact CB-OH 3.46Å; S443-Y494 CarbonylContact O-C 3.41Å; S443-Y494 VanDerWaalsContact O-CA 3.32Å; S443-Y494 WeakPolarHBondContact O-CA 3.42Å; S443-Y494 WeakPolarHBondContact O-CD2 3.05Å; S443-A495 PolarHBondContact O-N 2.78Å
444A87.6Confident80.8Confident10 Ų1067 Ų678%0.08336%0.36CS..EExtended strand (participates in β ladder)trans-129.1139.3-175.400000112.6L438 R441 L493L438-A444 WeakPolarHBondContact CB-O 2.96Å; L438-A444 HydrophobicContact CD1-CB 4.1Å; L438-A444 PolarHBondContact N-O 2.74Å; L438-A444 VanDerWaalsContact N-O 3.14Å; R441-A444 HydrophobicContact CB-CB 4.25Å; R441-A444 PolarHBondContact O-N 3.35Å; A444-L493 WeakPolarHBondContact CA-O 3.41Å
445S91Very high79Confident9 Ų968.9 Ų68.96%0.06337%0.368CS..EExtended strand (participates in β ladder)trans-117.8142.9171.6-64.60000109.6V436 E492 L493V436-S445 CarbonylContact O-C 3.5Å; V436-S445 WeakPolarHBondContact O-CA 3.28Å; S445-E492 CarbonylContact O-C 3.54Å; S445-E492 WeakPolarHBondContact O-CA 3.42Å; S445-L493 PolarHBondContact N-O 2.92Å; S445-L493 PolarHBondContact O-N 3.19Å
446L91.6Very high77.1Confident49 Ų4970.3 Ų70.326%0.25737%0.373SS..EExtended strand (participates in β ladder)trans-85.9129.5169.5-172.468.1000108.9I435 V436 L438 F485 V490 E492I435-L446 CarbonylContact C-O 3.47Å; I435-L446 WeakPolarHBondContact CA-O 3.47Å; V436-L446 PolarHBondContact N-O 3.12Å; V436-L446 PolarHBondContact O-N 3.29Å; L438-L446 HydrophobicContact CD2-CB 4.25Å; L446-F485 HydrophobicContact CD1-CD2 4.44Å; L446-F485 HydrophobicContact CD1-CE2 3.43Å; L446-F485 VanDerWaalsContact CD1-CE2 3.43Å; L446-F485 HydrophobicContact CD1-CZ 3.67Å; L446-V490 HydrophobicContact CD1-CG1 3.75Å; L446-V490 HydrophobicContact CG-CG1 4.29Å; L446-E492 HydrophobicContact CD1-CG 4.48Å
447V93.2Very high75.1Confident0 Ų072.9 Ų72.90%039%0.39CS..EExtended strand (participates in β ladder)trans-117126.5177.8-177.20000108.6V433 V434 I435 F470 V490 V491 L493 F501V433-V447 HydrophobicContact CG1-CG1 3.77Å; V434-V447 CarbonylContact O-C 3.53Å; V434-V447 WeakPolarHBondContact O-CA 3.49Å; I435-V447 HydrophobicContact CD1-CG2 4.31Å; I435-V447 HydrophobicContact CG1-CG1 4.26Å; I435-V447 HydrophobicContact CG1-CG2 4.1Å; I435-V447 HydrophobicContact CG2-CG2 4.32Å; V447-F470 HydrophobicContact CG1-CE2 4.1Å; V447-F470 HydrophobicContact CG1-CZ 3.91Å; V447-V490 CarbonylContact O-C 3.54Å; V447-V490 WeakPolarHBondContact O-CA 3.25Å; V447-V491 HydrophobicContact CB-CG2 3.92Å; V447-V491 PolarHBondContact N-O 3.01Å; V447-V491 PolarHBondContact O-N 3.43Å; V447-L493 HydrophobicContact CG2-CB 3.63Å; V447-L493 HydrophobicContact CG2-CD2 3.91Å; V447-L493 HydrophobicContact CG2-CG 4.45Å; V447-F501 HydrophobicContact CG1-CE1 3.83Å; V447-F501 HydrophobicContact CG1-CZ 4.19Å
448A92.4Very high73.4Confident24 Ų2471.4 Ų71.420%0.19838%0.379CS..EExtended strand (participates in β ladder)trans-125.6127.7175.500000110.5V433 V434 H489 V490V433-A448 WeakPolarHBondContact CA-O 3.31Å; V434-A448 PolarHBondContact N-O 3.4Å; V434-A448 PolarHBondContact O-N 2.91Å; A448-H489 WeakPolarHBondContact CA-O 3.12Å; A448-V490 HydrophobicContact CB-CG2 4.22Å
449G91.1Very high72.2Confident0 Ų072.9 Ų72.90%041%0.406CS..EExtended strand (participates in β ladder)trans-96.2113.4176.300000111.7N464 F466 H489G449-N464 PolarHBondContact O-ND2 3.27Å; G449-F466 VanDerWaalsContact CA-CD2 3.43Å; G449-H489 PolarHBondContact N-O 2.9Å; G449-H489 PolarHBondContact O-CD2 3.26Å; G449-H489 VanDerWaalsContact O-CD2 3.26Å
450I86Confident71.9Confident80 Ų8068.3 Ų68.341%0.4139%0.387SS..EExtended strand (participates in β ladder)trans-102.5116.8-178.7-58.4176.8000108.5F432 V434 F466F432-I450 HydrophobicContact CB-CB 4.38Å; F432-I450 HydrophobicContact CD1-CD1 4.26Å; F432-I450 PolarHBondContact N-O 2.91Å; F432-I450 WeakPolarHBondContact O-CA 3.39Å; F432-I450 WeakPolarHBondContact O-CB 3.15Å; F432-I450 PolarHBondContact O-N 2.88Å; V434-I450 HydrophobicContact CG2-CD1 3.86Å; I450-F466 WeakPolarHBondContact O-CE2 3.18Å
451P81.5Confident72.1Confident40 Ų4063.4 Ų63.426%0.2636%0.358SS..PPolyproline II helixtrans-65.6164.3-178.329.6-33.9000110.9L453 K463 N464P451-L453 PolarHBondContact O-N 3.37Å; P451-K463 WeakPolarHBondContact CB-O 3.27Å; P451-N464 HydrophobicContact CB-CB 4.29Å; P451-N464 HydrophobicContact CG-CB 4.16Å
452P75.2Confident72.7Confident53 Ų5358.6 Ų58.634%0.34434%0.343SS..PPolyproline II helixtrans-53.9143.2171.6-21.433.8000110.5P431 Y454P431-P452 HydrophobicContact CB-CG 4.03Å; P431-P452 HydrophobicContact CG-CG 4.44Å; P452-Y454 PolarHBondContact O-N 3Å; P452-Y454 VanDerWaalsContact O-N 3.13Å
453L65.4Low73.8Confident99 Ų9956.2 Ų56.252%0.51833%0.326SS..PPolyproline II helixtrans-58122.8168.5-74.3166.6000108.8P451 I455P451-L453 PolarHBondContact O-N 3.37Å; L453-I455 PolarHBondContact O-N 3.23Å
454Y57.9Low74.2Confident70 Ų7054.4 Ų54.428%0.27531%0.312SS..PPolyproline II helixtrans-61.6126-175.4-167.2-101.1000110.3P452 S458 D460P452-Y454 PolarHBondContact O-N 3Å; P452-Y454 VanDerWaalsContact O-N 3.13Å; Y454-S458 PolarHBondContact OH-O 3.04Å; Y454-S458 PolarHBondContact OH-OG 2.99Å; Y454-D460 WeakPolarHBondContact CE1-O 3.49Å; Y454-D460 HydrophobicContact CE2-CB 4.24Å; Y454-D460 VanDerWaalsContact OH-CA 3.25Å; Y454-D460 WeakPolarHBondContact OH-CA 3.4Å; Y454-D460 VanDerWaalsContact OH-CB 3.26Å; Y454-D460 WeakPolarHBondContact OH-CB 3.31Å; Y454-D460 PolarHBondContact OH-N 3.42Å; Y454-D460 PolarHBondContact OH-O 3.32Å
455I51.7Low74.3Confident87 Ų8756.3 Ų56.345%0.44632%0.321SS..PPolyproline II helixtrans-98.6119.3172.3-52168.9000105.7N429 L453 T457N429-I455 HydrophobicContact CB-CD1 4.02Å; N429-I455 WeakPolarHBondContact ND2-CD1 3.42Å; L453-I455 PolarHBondContact O-N 3.23Å; I455-T457 HydrophobicContact CG2-CG2 4.33Å; I455-T457 PolarHBondContact O-N 3.4Å
456Q48.5Very low74.3Confident87 Ų8756 Ų5641%0.40732%0.318SS..THydrogen-bonded Turntrans-52.1-2.4-175.1-72.2178.8100117.1P230 D349 S458P230-Q456 HydrophobicContact CG-CG 4.12Å; D349-Q456 PolarHBondContact OD1-NE2 2.89Å; D349-Q456 PolarHBondContact OD2-NE2 3.08Å; Q456-S458 CarbonylContact C-O 3.54Å; Q456-S458 PolarHBondContact O-N 2.82Å; Q456-S458 VanDerWaalsContact O-O 3.05Å
457T46.6Very low74.2Confident135 Ų13553.7 Ų53.783%0.82831%0.306SS*.THydrogen-bonded Turntrans-68.9-15.4-174.248.10000113.9I455I455-T457 HydrophobicContact CG2-CG2 4.33Å; I455-T457 PolarHBondContact O-N 3.4Å
458S48.4Very low73.9Confident44 Ų4455.4 Ų55.431%0.30831%0.314SS..SBendtrans-106.2150.6159.5630000109.5Y454 Q456 D460Y454-S458 PolarHBondContact OH-O 3.04Å; Y454-S458 PolarHBondContact OH-OG 2.99Å; Q456-S458 CarbonylContact C-O 3.54Å; Q456-S458 PolarHBondContact O-N 2.82Å; Q456-S458 VanDerWaalsContact O-O 3.05Å; S458-D460 WeakPolarHBondContact CB-OD2 3.43Å; S458-D460 PolarHBondContact O-N 3.3Å; S458-D460 VanDerWaalsContact O-N 3.16Å; S458-D460 PolarHBondContact OG-OD2 3.15Å
459G54.2Low73.8Confident78 Ų7854.6 Ų54.680%0.80431%0.308SS*.  trans-78.420.4171.100000112.1
460D65.1Low73.8Confident86 Ų8654.6 Ų54.646%0.4631%0.308SS..PPolyproline II helixtrans-80.3153.4-169.5-59.5-38.5000111.7Y454 S458Y454-D460 WeakPolarHBondContact CE1-O 3.49Å; Y454-D460 HydrophobicContact CE2-CB 4.24Å; Y454-D460 VanDerWaalsContact OH-CA 3.25Å; Y454-D460 WeakPolarHBondContact OH-CA 3.4Å; Y454-D460 VanDerWaalsContact OH-CB 3.26Å; Y454-D460 WeakPolarHBondContact OH-CB 3.31Å; Y454-D460 PolarHBondContact OH-N 3.42Å; Y454-D460 PolarHBondContact OH-O 3.32Å; S458-D460 WeakPolarHBondContact CB-OD2 3.43Å; S458-D460 PolarHBondContact O-N 3.3Å; S458-D460 VanDerWaalsContact O-N 3.16Å; S458-D460 PolarHBondContact OG-OD2 3.15Å
461K72.8Confident73.8Confident58 Ų5853.1 Ų53.125%0.25230%0.3SS..PPolyproline II helixtrans-65.8142.4172.3-44.9-169.4175.9165.70108.7Y187 K463Y187-K461 HydrophobicContact CD2-CD 3.72Å; Y187-K461 HydrophobicContact CE2-CD 3.97Å; K461-K463 PolarHBondContact O-N 3.15Å; K461-K463 VanDerWaalsContact O-N 3.17Å
462P80.2Confident74Confident23 Ų2353.5 Ų53.515%0.14930%0.297CS..PPolyproline II helixtrans-51.6124.4165.1-24.934000109.7Y187 Q231Y187-P462 VanDerWaalsContact CB-O 3.3Å; Y187-P462 WeakPolarHBondContact CB-O 3.26Å; Q231-P462 VanDerWaalsContact OE1-CD 3.28Å
463K87Confident74.6Confident99 Ų9951.2 Ų51.243%0.4328%0.281SS..  trans-121.5138.8-177.3-80.2176.6-176.8-175.10109.9F185 S186 P451 K461F185-K463 HydrophobicContact CB-CB 3.96Å; F185-K463 HydrophobicContact CB-CD 4.05Å; F185-K463 HydrophobicContact CB-CG 4.04Å; F185-K463 HydrophobicContact CD1-CB 4Å; F185-K463 HydrophobicContact CD2-CD 4.21Å; F185-K463 HydrophobicContact CG-CB 4.1Å; F185-K463 HydrophobicContact CG-CD 4.04Å; F185-K463 HydrophobicContact CG-CG 4.39Å; S186-K463 CarbonylContact O-C 3.56Å; S186-K463 WeakPolarHBondContact O-CA 3.45Å; P451-K463 WeakPolarHBondContact CB-O 3.27Å; K461-K463 PolarHBondContact O-N 3.15Å; K461-K463 VanDerWaalsContact O-N 3.17Å
464N90Very high75.5Confident11 Ų1148.1 Ų48.16%0.05927%0.27CS..BIsolated β-bridgetrans-118.5117.3179.3-168-12.7000110.6F185 S186 G449 P451 F466 H489F185-N464 WeakPolarHBondContact CA-O 2.96Å; S186-N464 PolarHBondContact N-O 2.95Å; S186-N464 PolarHBondContact O-N 3.1Å; S186-N464 PolarHBondContact OG-O 3.06Å; G449-N464 PolarHBondContact O-ND2 3.27Å; P451-N464 HydrophobicContact CB-CB 4.29Å; P451-N464 HydrophobicContact CG-CB 4.16Å; N464-F466 WeakPolarHBondContact OD1-CB 3.37Å; N464-F466 WeakPolarHBondContact OD1-CD2 3.25Å; N464-F466 PolarHBondContact OD1-N 3.36Å; N464-H489 VanDerWaalsContact ND2-CB 3.28Å; N464-H489 WeakPolarHBondContact ND2-CB 3.48Å; N464-H489 PolarHBondContact ND2-CD2 2.76Å
465L90.5Very high76.7Confident51 Ų5152.1 Ų52.127%0.26729%0.291SS..  trans-85.6-1517964.187.1000113.2F185 G467 Q468 A469 L509F185-L465 HydrophobicContact CD1-CB 3.88Å; F185-L465 HydrophobicContact CE1-CB 3.86Å; L465-G467 VanDerWaalsContact C-N 3.32Å; L465-G467 PolarHBondContact O-N 2.95Å; L465-Q468 PolarHBondContact O-N 2.74Å; L465-A469 HydrophobicContact CD1-CB 4.25Å; L465-A469 WeakPolarHBondContact O-CB 3.21Å; L465-A469 PolarHBondContact O-N 3.01Å; L465-L509 HydrophobicContact CD1-CD1 4.49Å; L465-L509 HydrophobicContact CD1-CD2 3.29Å
466F91.9Very high78.3Confident2 Ų256 Ų561%0.00930%0.3CS..Hα-helixtrans-68.6-31.4-168.6-78.5-67.5000113.1P431 V433 G449 I450 N464 Q468 A469 F470 H489 L505 L509P431-F466 HydrophobicContact CB-CE2 3.66Å; P431-F466 HydrophobicContact CB-CZ 3.67Å; P431-F466 HydrophobicContact CG-CZ 4.47Å; V433-F466 HydrophobicContact CG2-CD1 4.23Å; V433-F466 HydrophobicContact CG2-CE1 3.42Å; V433-F466 VanDerWaalsContact CG2-CE1 3.42Å; V433-F466 HydrophobicContact CG2-CZ 3.59Å; G449-F466 VanDerWaalsContact CA-CD2 3.43Å; I450-F466 WeakPolarHBondContact O-CE2 3.18Å; N464-F466 WeakPolarHBondContact OD1-CB 3.37Å; N464-F466 WeakPolarHBondContact OD1-CD2 3.25Å; N464-F466 PolarHBondContact OD1-N 3.36Å; F466-Q468 VanDerWaalsContact C-N 3.34Å; F466-Q468 PolarHBondContact O-N 3.04Å; F466-A469 PolarHBondContact O-N 2.99Å; F466-F470 HydrophobicContact CB-CE1 4.06Å; F466-F470 HydrophobicContact CB-CE2 4.14Å; F466-F470 HydrophobicContact CB-CZ 3.85Å; F466-F470 HydrophobicContact CD1-CD1 4.39Å; F466-F470 AromaticContact CD1-CE1 3.52Å; F466-F470 HydrophobicContact CD1-CE1 3.52Å; F466-F470 AromaticContact CD1-CZ 3.81Å; F466-F470 HydrophobicContact CD1-CZ 3.81Å; F466-F470 HydrophobicContact CE1-CE1 4.35Å; F466-F470 HydrophobicContact CG-CE1 4.19Å; F466-F470 HydrophobicContact CG-CZ 4.1Å; F466-F470 WeakPolarHBondContact O-CB 3.45Å; F466-F470 VanDerWaalsContact O-CD1 3.26Å; F466-F470 WeakPolarHBondContact O-CD1 3.37Å; F466-F470 WeakPolarHBondContact O-CD2 3.17Å; F466-F470 WeakPolarHBondContact O-CG 3.38Å; F466-F470 PolarHBondContact O-N 3.34Å; F466-H489 HydrophobicContact CB-CB 4.12Å; F466-L505 HydrophobicContact CD1-CD1 4.41Å; F466-L505 HydrophobicContact CE1-CD1 4.48Å; F466-L505 HydrophobicContact CE1-CD2 4.16Å; F466-L509 HydrophobicContact CE1-CD1 3.86Å; F466-L509 HydrophobicContact CZ-CD1 4.44Å
467G88.7Confident80Confident1 Ų153.5 Ų53.51%0.0129%0.291CS..Hα-helixtrans-56.1-51.1177.500000111.9L465 F470 L471 S488L465-G467 VanDerWaalsContact C-N 3.32Å; L465-G467 PolarHBondContact O-N 2.95Å; G467-F470 PolarHBondContact O-N 3.43Å; G467-L471 PolarHBondContact O-N 3.08Å; G467-S488 WeakPolarHBondContact CA-O 3.35Å; G467-S488 WeakPolarHBondContact CA-OG 3.39Å
468Q86.9Confident81.8Confident35 Ų3552.4 Ų52.416%0.16428%0.284CS..Hα-helixtrans-74.9-34178.9-171.760.3-8.300113Y183 L465 F466 F470 L471 R472Y183-Q468 VanDerWaalsContact O-CB 3.23Å; Y183-Q468 WeakPolarHBondContact O-CB 3.18Å; Y183-Q468 WeakPolarHBondContact O-CG 3.29Å; L465-Q468 PolarHBondContact O-N 2.74Å; F466-Q468 VanDerWaalsContact C-N 3.34Å; F466-Q468 PolarHBondContact O-N 3.04Å; Q468-F470 VanDerWaalsContact C-N 3.29Å; Q468-F470 PolarHBondContact O-N 3.27Å; Q468-L471 PolarHBondContact O-N 3.2Å; Q468-L471 VanDerWaalsContact OE1-CD1 3.25Å; Q468-R472 WeakPolarHBondContact O-CG 3Å; Q468-R472 PolarHBondContact O-N 3.06Å
469A90.2Very high83.8Confident7 Ų750.7 Ų50.76%0.05827%0.273CS..Hα-helixtrans-58.3-44.7173.200000110.9L465 F466 L471 R472 I473 L505 L508 L509L465-A469 HydrophobicContact CD1-CB 4.25Å; L465-A469 WeakPolarHBondContact O-CB 3.21Å; L465-A469 PolarHBondContact O-N 3.01Å; F466-A469 PolarHBondContact O-N 2.99Å; A469-L471 PolarHBondContact O-N 3.13Å; A469-R472 PolarHBondContact O-N 3.08Å; A469-I473 WeakPolarHBondContact O-CG1 3.37Å; A469-I473 PolarHBondContact O-N 3.03Å; A469-L505 HydrophobicContact CB-CD1 3.8Å; A469-L508 HydrophobicContact CB-CD2 3.97Å; A469-L509 HydrophobicContact CB-CD2 4.48Å
470F92.1Very high85.5Confident0 Ų052.3 Ų52.30%025%0.254CS..Hα-helixtrans-65.1-39.4179.9-63.6-9.4000112.2V447 F466 G467 Q468 I473 A474 H489 V491 F501 L505V447-F470 HydrophobicContact CG1-CE2 4.1Å; V447-F470 HydrophobicContact CG1-CZ 3.91Å; F466-F470 HydrophobicContact CB-CE1 4.06Å; F466-F470 HydrophobicContact CB-CE2 4.14Å; F466-F470 HydrophobicContact CB-CZ 3.85Å; F466-F470 HydrophobicContact CD1-CD1 4.39Å; F466-F470 AromaticContact CD1-CE1 3.52Å; F466-F470 HydrophobicContact CD1-CE1 3.52Å; F466-F470 AromaticContact CD1-CZ 3.81Å; F466-F470 HydrophobicContact CD1-CZ 3.81Å; F466-F470 HydrophobicContact CE1-CE1 4.35Å; F466-F470 HydrophobicContact CG-CE1 4.19Å; F466-F470 HydrophobicContact CG-CZ 4.1Å; F466-F470 WeakPolarHBondContact O-CB 3.45Å; F466-F470 VanDerWaalsContact O-CD1 3.26Å; F466-F470 WeakPolarHBondContact O-CD1 3.37Å; F466-F470 WeakPolarHBondContact O-CD2 3.17Å; F466-F470 WeakPolarHBondContact O-CG 3.38Å; F466-F470 PolarHBondContact O-N 3.34Å; G467-F470 PolarHBondContact O-N 3.43Å; Q468-F470 VanDerWaalsContact C-N 3.29Å; Q468-F470 PolarHBondContact O-N 3.27Å; F470-I473 PolarHBondContact O-N 3.46Å; F470-A474 PolarHBondContact O-N 2.96Å; F470-H489 WeakPolarHBondContact CE2-O 3.19Å; F470-V491 HydrophobicContact CB-CG1 4.44Å; F470-V491 HydrophobicContact CD2-CG1 4.02Å; F470-V491 HydrophobicContact CD2-CG2 3.88Å; F470-V491 HydrophobicContact CE2-CG2 4.35Å; F470-V491 HydrophobicContact CG-CG2 4.48Å; F470-F501 HydrophobicContact CD1-CE1 4.41Å; F470-F501 HydrophobicContact CD1-CE2 4.16Å; F470-F501 AromaticContact CD1-CZ 3.46Å; F470-F501 HydrophobicContact CD1-CZ 3.46Å; F470-F501 VanDerWaalsContact CD1-CZ 3.46Å; F470-F501 HydrophobicContact CE1-CE1 4.22Å; F470-F501 AromaticContact CE1-CZ 3.69Å; F470-F501 HydrophobicContact CE1-CZ 3.69Å; F470-F501 HydrophobicContact CG-CE2 4.46Å; F470-F501 AromaticContact CG-CZ 3.96Å; F470-F501 HydrophobicContact CG-CZ 3.96Å; F470-F501 HydrophobicContact CZ-CZ 4.35Å; F470-L505 HydrophobicContact CD1-CD1 4.14Å; F470-L505 HydrophobicContact CD1-CD2 4.49Å; F470-L505 HydrophobicContact CE1-CD1 4.1Å; F470-L505 HydrophobicContact CE1-CD2 3.8Å
471L84Confident86.7Confident50 Ų5049.7 Ų49.726%0.26224%0.24SC..Hα-helixtrans-60.2-49.8173.1-78.8169.9000112.1G467 Q468 A469 I473 A474 E475 Q483G467-L471 PolarHBondContact O-N 3.08Å; Q468-L471 PolarHBondContact O-N 3.2Å; Q468-L471 VanDerWaalsContact OE1-CD1 3.25Å; A469-L471 PolarHBondContact O-N 3.13Å; L471-I473 VanDerWaalsContact C-N 3.26Å; L471-I473 PolarHBondContact O-N 3.27Å; L471-A474 WeakPolarHBondContact O-CA 3.43Å; L471-A474 VanDerWaalsContact O-CB 3.31Å; L471-A474 WeakPolarHBondContact O-CB 3.48Å; L471-A474 PolarHBondContact O-N 2.88Å; L471-E475 PolarHBondContact O-N 3.23Å; L471-Q483 VanDerWaalsContact CD2-CD 3.45Å; L471-Q483 VanDerWaalsContact CD2-OE1 3.29Å
472R86Confident87.5Confident48 Ų4854 Ų5418%0.18125%0.254CS..Hα-helixtrans-62.1-35.2178.4-71.7-177.2-175.5172.29.7112.5Q468 A469 E475 R476 L508Q468-R472 WeakPolarHBondContact O-CG 3Å; Q468-R472 PolarHBondContact O-N 3.06Å; A469-R472 PolarHBondContact O-N 3.08Å; R472-E475 PolarHBondContact O-N 3.3Å; R472-R476 VanDerWaalsContact O-CB 3.25Å; R472-R476 WeakPolarHBondContact O-CB 3.14Å; R472-R476 WeakPolarHBondContact O-CG 3.44Å; R472-R476 PolarHBondContact O-N 2.93Å; R472-L508 HydrophobicContact CB-CD2 3.99Å
473I87.9Confident87.8Confident4 Ų456.8 Ų56.82%0.02127%0.266CS..Hα-helixtrans-66.7-42.1173.3-64.4-49.7000110.5A469 F470 L471 E475 R476 T477 F501 G504 L505 L508A469-I473 WeakPolarHBondContact O-CG1 3.37Å; A469-I473 PolarHBondContact O-N 3.03Å; F470-I473 PolarHBondContact O-N 3.46Å; L471-I473 VanDerWaalsContact C-N 3.26Å; L471-I473 PolarHBondContact O-N 3.27Å; I473-E475 VanDerWaalsContact C-N 3.27Å; I473-E475 PolarHBondContact O-N 3.45Å; I473-R476 PolarHBondContact O-N 3.5Å; I473-T477 HydrophobicContact CG2-CG2 4.1Å; I473-T477 VanDerWaalsContact O-CB 3.31Å; I473-T477 WeakPolarHBondContact O-CB 3.49Å; I473-T477 WeakPolarHBondContact O-CG2 3.35Å; I473-T477 PolarHBondContact O-N 3.46Å; I473-T477 PolarHBondContact O-OG1 3.04Å; I473-F501 HydrophobicContact CB-CD2 4.31Å; I473-F501 HydrophobicContact CB-CE2 4.25Å; I473-F501 HydrophobicContact CG2-CD2 3.53Å; I473-F501 HydrophobicContact CG2-CE2 3.97Å; I473-F501 HydrophobicContact CG2-CG 4.43Å; I473-G504 WeakPolarHBondContact CD1-O 3.23Å; I473-L505 HydrophobicContact CG1-CB 4.46Å; I473-L508 HydrophobicContact CD1-CB 4.07Å; I473-L508 HydrophobicContact CD1-CD2 3.91Å; I473-L508 HydrophobicContact CG1-CD2 4.18Å
474A83.9Confident87.9Confident35 Ų3553.8 Ų53.829%0.28925%0.253SS..Hα-helixtrans-59.3-37.1175.700000112.7F470 L471 I481F470-A474 PolarHBondContact O-N 2.96Å; L471-A474 WeakPolarHBondContact O-CA 3.43Å; L471-A474 VanDerWaalsContact O-CB 3.31Å; L471-A474 WeakPolarHBondContact O-CB 3.48Å; L471-A474 PolarHBondContact O-N 2.88Å; A474-I481 HydrophobicContact CB-CB 4.32Å; A474-I481 HydrophobicContact CB-CD1 3.78Å
475E83.6Confident88Confident153 Ų15356 Ų5672%0.71526%0.262SS*.Hα-helixtrans-78.6-41.3179.3-68.7171.917700113.1L471 R472 I473L471-E475 PolarHBondContact O-N 3.23Å; R472-E475 PolarHBondContact O-N 3.3Å; I473-E475 VanDerWaalsContact C-N 3.27Å; I473-E475 PolarHBondContact O-N 3.45Å
476R85.2Confident88.1Confident169 Ų16954.3 Ų54.364%0.63825%0.252SS*.Hα-helixtrans-80.8-18-176.4-68.5177.1-179.8-165.40.1113.2R472 I473R472-R476 VanDerWaalsContact O-CB 3.25Å; R472-R476 WeakPolarHBondContact O-CB 3.14Å; R472-R476 WeakPolarHBondContact O-CG 3.44Å; R472-R476 PolarHBondContact O-N 2.93Å; I473-R476 PolarHBondContact O-N 3.5Å
477T84.2Confident88Confident34 Ų3455.9 Ų55.921%0.20926%0.26CS..SBendtrans-125162.3-17774.40000110.6I473 C479I473-T477 HydrophobicContact CG2-CG2 4.1Å; I473-T477 VanDerWaalsContact O-CB 3.31Å; I473-T477 WeakPolarHBondContact O-CB 3.49Å; I473-T477 WeakPolarHBondContact O-CG2 3.35Å; I473-T477 PolarHBondContact O-N 3.46Å; I473-T477 PolarHBondContact O-OG1 3.04Å; T477-C479 PolarHBondContact O-N 3.3Å; T477-C479 VanDerWaalsContact OG1-CB 3.31Å; T477-C479 WeakPolarHBondContact OG1-CB 3.46Å; T477-C479 PolarHBondContact OG1-N 3.04Å; T477-C479 PolarHBondContact OG1-SG 3.37Å
478T85.9Confident87.9Confident112 Ų11257.6 Ų57.669%0.68727%0.272SS*.  trans-83.621.2173.153.90000112.8R480 R500T478-R480 PolarHBondContact O-N 2.95Å; T478-R500 PolarHBondContact OG1-NH1 3.35Å; T478-R500 VanDerWaalsContact OG1-NH1 3.09Å
479C89.1Confident88.2Confident9 Ų957.4 Ų57.46%0.06127%0.271CS..  trans-66.9128.2179-73.50000110.5T477 I481 L493 D497T477-C479 PolarHBondContact O-N 3.3Å; T477-C479 VanDerWaalsContact OG1-CB 3.31Å; T477-C479 WeakPolarHBondContact OG1-CB 3.46Å; T477-C479 PolarHBondContact OG1-N 3.04Å; T477-C479 PolarHBondContact OG1-SG 3.37Å; C479-I481 HydrophobicContact CB-CD1 4.19Å; C479-I481 HydrophobicContact CB-CG1 4.31Å; C479-I481 PolarHBondContact O-N 3.27Å; C479-L493 HydrophobicContact CB-CD1 4.37Å; C479-D497 HydrophobicContact CB-CB 4.19Å
480R90.2Very high88.3Confident112 Ų11258.3 Ų58.342%0.42328%0.276SS..  trans-81.1102.5176-68.4165.8-69.3-179.9-5109.7T478 Y494 E496 D497T478-R480 PolarHBondContact O-N 2.95Å; R480-Y494 VanDerWaalsContact NH1-CE1 3.25Å; R480-Y494 PolarHBondContact O-N 3.45Å; R480-E496 IonicContact CZ-OE2 3.96Å; R480-E496 IonicContact NH1-OE2 3.53Å; R480-E496 IonicContact NH2-OE2 3.22Å; R480-E496 PolarHBondContact NH2-OE2 3.48Å; R480-D497 IonicContact CZ-OD2 3.27Å; R480-D497 PolarHBondContact N-OD2 3.07Å; R480-D497 VanDerWaalsContact N-OD2 3.09Å; R480-D497 IonicContact NE-OD2 3.7Å; R480-D497 PolarHBondContact NE-OD2 3.43Å; R480-D497 IonicContact NH2-OD2 3.43Å; R480-D497 PolarHBondContact NH2-OD2 2.88Å
481I89.7Confident88.4Confident31 Ų3158.3 Ų58.316%0.15928%0.276CS..EExtended strand (participates in β ladder)trans-115.9139.9179.4-64.1166.4000109.2A474 C479 Q483 V491 E492 L493 F501A474-I481 HydrophobicContact CB-CB 4.32Å; A474-I481 HydrophobicContact CB-CD1 3.78Å; C479-I481 HydrophobicContact CB-CD1 4.19Å; C479-I481 HydrophobicContact CB-CG1 4.31Å; C479-I481 PolarHBondContact O-N 3.27Å; I481-Q483 HydrophobicContact CG2-CG 4.47Å; I481-V491 HydrophobicContact CG2-CB 3.75Å; I481-V491 HydrophobicContact CG2-CG1 4.12Å; I481-V491 HydrophobicContact CG2-CG2 3.93Å; I481-E492 CarbonylContact C-O 3.53Å; I481-E492 WeakPolarHBondContact CA-O 3.39Å; I481-L493 HydrophobicContact CD1-CD1 4.41Å; I481-L493 HydrophobicContact CG1-CD1 3.69Å; I481-F501 HydrophobicContact CD1-CD2 3.7Å; I481-F501 HydrophobicContact CD1-CE2 3.6Å
482R89.5Confident88.8Confident147 Ų14756.5 Ų56.556%0.55527%0.266SS*.EExtended strand (participates in β ladder)trans-120.6127171.3-59.9-178.9-178-178.3-0.6110.4E492R482-E492 HydrophobicContact CB-CB 4.27Å; R482-E492 PolarHBondContact N-O 2.95Å; R482-E492 PolarHBondContact O-N 3.19Å
483Q86.8Confident89.1Confident82 Ų8254.3 Ų54.338%0.38326%0.257SS..  trans-103.791.9175.5-59.7-165.8-26.500109.2L471 I481 V491L471-Q483 VanDerWaalsContact CD2-CD 3.45Å; L471-Q483 VanDerWaalsContact CD2-OE1 3.29Å; I481-Q483 HydrophobicContact CG2-CG 4.47Å; Q483-V491 HydrophobicContact CG-CG1 3.89Å
484K88.7Confident89.3Confident36 Ų3657.6 Ų57.616%0.15727%0.27CS..  trans-101.5-23.7176.568.9-179.4-165.2177.60112.8D54 T55 E492D54-K484 CarbonylContact C-O 3.53Å; D54-K484 WeakPolarHBondContact CA-O 3.35Å; D54-K484 HydrophobicContact CB-CB 4.22Å; D54-K484 HydrophobicContact CB-CG 4.25Å; D54-K484 WeakPolarHBondContact CB-O 3.32Å; T55-K484 WeakPolarHBondContact CG2-O 3.35Å; T55-K484 PolarHBondContact N-O 3.45Å; T55-K484 WeakPolarHBondContact OG1-CA 3.17Å; T55-K484 PolarHBondContact OG1-O 3.17Å; K484-E492 HydrophobicContact CD-CG 4.48Å; K484-E492 WeakPolarHBondContact CE-OE1 3.12Å; K484-E492 IonicContact NZ-OE1 3.18Å; K484-E492 PolarHBondContact NZ-OE1 2.54Å
485F92.2Very high89.4Confident58 Ų5857.6 Ų57.625%0.25427%0.27SS..SBendtrans-82.1152.4-174.4-56.5-79.6000111.4L446 E487 V490 E492L446-F485 HydrophobicContact CD1-CD2 4.44Å; L446-F485 HydrophobicContact CD1-CE2 3.43Å; L446-F485 VanDerWaalsContact CD1-CE2 3.43Å; L446-F485 HydrophobicContact CD1-CZ 3.67Å; F485-E487 PolarHBondContact O-N 3.16Å; F485-V490 HydrophobicContact CB-CB 4.39Å; F485-V490 HydrophobicContact CD2-CB 4.17Å; F485-V490 HydrophobicContact CD2-CG1 3.69Å; F485-V490 WeakPolarHBondContact CD2-O 3.45Å; F485-V490 HydrophobicContact CE2-CG1 3.92Å; F485-V490 HydrophobicContact CG-CB 4.39Å; F485-V490 HydrophobicContact CG-CG1 4.12Å; F485-E492 HydrophobicContact CE2-CG 4.31Å
486F93.2Very high89.7Confident15 Ų1557.3 Ų57.37%0.06627%0.268CS..SBendtrans-65.6-18.9173.1-55.3-52.2000112.5V52 D54 T55 L58 C77 I81V52-F486 HydrophobicContact CG2-CE2 4.25Å; V52-F486 HydrophobicContact CG2-CZ 3.95Å; V52-F486 WeakPolarHBondContact O-CE2 3.43Å; D54-F486 WeakPolarHBondContact O-CZ 3.34Å; T55-F486 HydrophobicContact CG2-CD1 4.44Å; T55-F486 HydrophobicContact CG2-CE1 4.27Å; L58-F486 HydrophobicContact CB-CE1 4.34Å; L58-F486 HydrophobicContact CB-CZ 4.25Å; L58-F486 HydrophobicContact CD2-CE1 4.06Å; C77-F486 HydrophobicContact CB-CD1 3.8Å; C77-F486 HydrophobicContact CB-CD2 3.91Å; C77-F486 HydrophobicContact CB-CE1 3.67Å; C77-F486 HydrophobicContact CB-CE2 3.76Å; C77-F486 HydrophobicContact CB-CG 3.94Å; C77-F486 HydrophobicContact CB-CZ 3.65Å; I81-F486 HydrophobicContact CD1-CD1 3.55Å; I81-F486 HydrophobicContact CD1-CE1 4.12Å
487E89.5Confident90.1Very high35 Ų3549.6 Ų49.616%0.16424%0.24CC..SBendtrans-92.2112.2174.1-66.5-61167.900111K101 Y188 F485 H489 V490K101-E487 WeakPolarHBondContact CE-OE1 3.42Å; Y188-E487 PolarHBondContact OH-OE1 2.77Å; Y188-E487 PolarHBondContact OH-OE2 2.78Å; F485-E487 PolarHBondContact O-N 3.16Å; E487-H489 PolarHBondContact O-N 3.09Å; E487-H489 VanDerWaalsContact O-N 3.16Å; E487-H489 IonicContact OE2-CE1 3.31Å; E487-H489 PolarHBondContact OE2-CE1 3.22Å; E487-H489 IonicContact OE2-ND1 2.95Å; E487-H489 PolarHBondContact OE2-ND1 3.31Å; E487-V490 HydrophobicContact CB-CB 4.45Å; E487-V490 HydrophobicContact CB-CG2 4.12Å; E487-V490 PolarHBondContact O-N 2.99Å
488S88.2Confident90.4Very high37 Ų3749.5 Ų49.526%0.25924%0.239SC..THydrogen-bonded Turntrans-62.5-24.8-179.357.30000113.5G467 V490G467-S488 WeakPolarHBondContact CA-O 3.35Å; G467-S488 WeakPolarHBondContact CA-OG 3.39Å; S488-V490 PolarHBondContact O-N 3.44Å
489H91.4Very high90.6Very high32 Ų3250.1 Ų50.115%0.14824%0.238CC..THydrogen-bonded Turntrans-81.67.4178.468.3-87.8000113.7A448 G449 N464 F466 F470 E487A448-H489 WeakPolarHBondContact CA-O 3.12Å; G449-H489 PolarHBondContact N-O 2.9Å; G449-H489 PolarHBondContact O-CD2 3.26Å; G449-H489 VanDerWaalsContact O-CD2 3.26Å; N464-H489 VanDerWaalsContact ND2-CB 3.28Å; N464-H489 WeakPolarHBondContact ND2-CB 3.48Å; N464-H489 PolarHBondContact ND2-CD2 2.76Å; F466-H489 HydrophobicContact CB-CB 4.12Å; F470-H489 WeakPolarHBondContact CE2-O 3.19Å; E487-H489 PolarHBondContact O-N 3.09Å; E487-H489 VanDerWaalsContact O-N 3.16Å; E487-H489 IonicContact OE2-CE1 3.31Å; E487-H489 PolarHBondContact OE2-CE1 3.22Å; E487-H489 IonicContact OE2-ND1 2.95Å; E487-H489 PolarHBondContact OE2-ND1 3.31Å
490V93.2Very high90.7Very high26 Ų2655 Ų5516%0.15826%0.256CS..EExtended strand (participates in β ladder)trans-126121173.8-174.40000109.2L446 V447 A448 F485 E487 S488L446-V490 HydrophobicContact CD1-CG1 3.75Å; L446-V490 HydrophobicContact CG-CG1 4.29Å; V447-V490 CarbonylContact O-C 3.54Å; V447-V490 WeakPolarHBondContact O-CA 3.25Å; A448-V490 HydrophobicContact CB-CG2 4.22Å; F485-V490 HydrophobicContact CB-CB 4.39Å; F485-V490 HydrophobicContact CD2-CB 4.17Å; F485-V490 HydrophobicContact CD2-CG1 3.69Å; F485-V490 WeakPolarHBondContact CD2-O 3.45Å; F485-V490 HydrophobicContact CE2-CG1 3.92Å; F485-V490 HydrophobicContact CG-CB 4.39Å; F485-V490 HydrophobicContact CG-CG1 4.12Å; E487-V490 HydrophobicContact CB-CB 4.45Å; E487-V490 HydrophobicContact CB-CG2 4.12Å; E487-V490 PolarHBondContact O-N 2.99Å; S488-V490 PolarHBondContact O-N 3.44Å
491V93.3Very high90.8Very high0 Ų049.7 Ų49.70%024%0.236CC..EExtended strand (participates in β ladder)trans-138.8152.9-175-57.80000111.9V447 F470 I481 Q483V447-V491 HydrophobicContact CB-CG2 3.92Å; V447-V491 PolarHBondContact N-O 3.01Å; V447-V491 PolarHBondContact O-N 3.43Å; F470-V491 HydrophobicContact CB-CG1 4.44Å; F470-V491 HydrophobicContact CD2-CG1 4.02Å; F470-V491 HydrophobicContact CD2-CG2 3.88Å; F470-V491 HydrophobicContact CE2-CG2 4.35Å; F470-V491 HydrophobicContact CG-CG2 4.48Å; I481-V491 HydrophobicContact CG2-CB 3.75Å; I481-V491 HydrophobicContact CG2-CG1 4.12Å; I481-V491 HydrophobicContact CG2-CG2 3.93Å; Q483-V491 HydrophobicContact CG-CG1 3.89Å
492E92.5Very high90.8Very high12 Ų1251.3 Ų51.36%0.05624%0.244CC..EExtended strand (participates in β ladder)trans-88.9129.3164.8-66.3-172.116500109.4R441 S445 L446 I481 R482 K484 F485R441-E492 IonicContact NH1-OE2 3.56Å; S445-E492 CarbonylContact O-C 3.54Å; S445-E492 WeakPolarHBondContact O-CA 3.42Å; L446-E492 HydrophobicContact CD1-CG 4.48Å; I481-E492 CarbonylContact C-O 3.53Å; I481-E492 WeakPolarHBondContact CA-O 3.39Å; R482-E492 HydrophobicContact CB-CB 4.27Å; R482-E492 PolarHBondContact N-O 2.95Å; R482-E492 PolarHBondContact O-N 3.19Å; K484-E492 HydrophobicContact CD-CG 4.48Å; K484-E492 WeakPolarHBondContact CE-OE1 3.12Å; K484-E492 IonicContact NZ-OE1 3.18Å; K484-E492 PolarHBondContact NZ-OE1 2.54Å; F485-E492 HydrophobicContact CE2-CG 4.31Å
493L92.7Very high90.9Very high1 Ų148.5 Ų48.51%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-116.2135.5177.5177.465.1000109.4A444 S445 V447 C479 I481 A495 D497 F501A444-L493 WeakPolarHBondContact CA-O 3.41Å; S445-L493 PolarHBondContact N-O 2.92Å; S445-L493 PolarHBondContact O-N 3.19Å; V447-L493 HydrophobicContact CG2-CB 3.63Å; V447-L493 HydrophobicContact CG2-CD2 3.91Å; V447-L493 HydrophobicContact CG2-CG 4.45Å; C479-L493 HydrophobicContact CB-CD1 4.37Å; I481-L493 HydrophobicContact CD1-CD1 4.41Å; I481-L493 HydrophobicContact CG1-CD1 3.69Å; L493-A495 PolarHBondContact O-N 3.47Å; L493-D497 HydrophobicContact CD1-CB 4.06Å; L493-F501 HydrophobicContact CD1-CB 4.12Å; L493-F501 HydrophobicContact CD1-CD2 4.21Å; L493-F501 HydrophobicContact CD1-CG 4.2Å; L493-F501 HydrophobicContact CD2-CB 3.68Å; L493-F501 HydrophobicContact CD2-CD1 3.74Å; L493-F501 HydrophobicContact CD2-CD2 4.36Å; L493-F501 HydrophobicContact CD2-CE1 4.47Å; L493-F501 HydrophobicContact CD2-CG 3.66Å
494Y91.7Very high91.1Very high74 Ų7445.7 Ų45.729%0.2924%0.236SC..EExtended strand (participates in β ladder)trans-66.3128.6172.3-145.4-98.7000110.2S443 R480 E496 D497S443-Y494 VanDerWaalsContact CB-CZ 3.4Å; S443-Y494 WeakPolarHBondContact CB-OH 3.46Å; S443-Y494 CarbonylContact O-C 3.41Å; S443-Y494 VanDerWaalsContact O-CA 3.32Å; S443-Y494 WeakPolarHBondContact O-CA 3.42Å; S443-Y494 WeakPolarHBondContact O-CD2 3.05Å; R480-Y494 VanDerWaalsContact NH1-CE1 3.25Å; R480-Y494 PolarHBondContact O-N 3.45Å; Y494-E496 HydrophobicContact CD1-CB 4.29Å; Y494-E496 HydrophobicContact CD1-CG 4.23Å; Y494-E496 HydrophobicContact CE1-CG 4.37Å; Y494-E496 PolarHBondContact O-N 2.83Å; Y494-E496 VanDerWaalsContact O-N 3.09Å; Y494-D497 PolarHBondContact O-N 3.24Å
495A87.9Confident91.1Very high34 Ų3444.2 Ų44.228%0.28123%0.23SC..G310 helixtrans-56.9-35.4-167.200000113.2S443 L493 D497 T498S443-A495 PolarHBondContact O-N 2.78Å; L493-A495 PolarHBondContact O-N 3.47Å; A495-D497 PolarHBondContact O-N 3.28Å; A495-T498 WeakPolarHBondContact O-CB 3.5Å; A495-T498 PolarHBondContact O-N 3.01Å; A495-T498 PolarHBondContact O-OG1 3.05Å
496E89.8Confident90.9Very high147 Ų14745.1 Ų45.169%0.68724%0.24SC*.G310 helixtrans-63.8-25.6177-60.8173.516300113.7R480 Y494R480-E496 IonicContact CZ-OE2 3.96Å; R480-E496 IonicContact NH1-OE2 3.53Å; R480-E496 IonicContact NH2-OE2 3.22Å; R480-E496 PolarHBondContact NH2-OE2 3.48Å; Y494-E496 HydrophobicContact CD1-CB 4.29Å; Y494-E496 HydrophobicContact CD1-CG 4.23Å; Y494-E496 HydrophobicContact CE1-CG 4.37Å; Y494-E496 PolarHBondContact O-N 2.83Å; Y494-E496 VanDerWaalsContact O-N 3.09Å
497D92.1Very high90.5Very high7 Ų745.9 Ų45.94%0.03725%0.252CS..G310 helixtrans-91.11.4-177.2-68.9-45.9000112.5C479 R480 L493 Y494 A495 D499 R500 F501C479-D497 HydrophobicContact CB-CB 4.19Å; R480-D497 IonicContact CZ-OD2 3.27Å; R480-D497 PolarHBondContact N-OD2 3.07Å; R480-D497 VanDerWaalsContact N-OD2 3.09Å; R480-D497 IonicContact NE-OD2 3.7Å; R480-D497 PolarHBondContact NE-OD2 3.43Å; R480-D497 IonicContact NH2-OD2 3.43Å; R480-D497 PolarHBondContact NH2-OD2 2.88Å; L493-D497 HydrophobicContact CD1-CB 4.06Å; Y494-D497 PolarHBondContact O-N 3.24Å; A495-D497 PolarHBondContact O-N 3.28Å; D497-D499 PolarHBondContact O-N 3.19Å; D497-R500 PolarHBondContact O-N 3.4Å; D497-R500 IonicContact OD1-CZ 3.4Å; D497-R500 IonicContact OD1-NH1 3.66Å; D497-R500 PolarHBondContact OD1-NH1 3.26Å; D497-R500 IonicContact OD1-NH2 3.75Å; D497-F501 VanDerWaalsContact O-CB 3.28Å; D497-F501 WeakPolarHBondContact O-CB 3.35Å; D497-F501 PolarHBondContact O-N 3.46Å
498T90.5Very high90.3Very high32 Ų3245.3 Ų45.320%0.19625%0.25CS..Hα-helixtrans-56.7-48.1-175.1-56.30000113.7I435 A495 F501 L502I435-T498 HydrophobicContact CD1-CG2 3.95Å; A495-T498 WeakPolarHBondContact O-CB 3.5Å; A495-T498 PolarHBondContact O-N 3.01Å; A495-T498 PolarHBondContact O-OG1 3.05Å; T498-F501 PolarHBondContact O-N 3.01Å; T498-L502 HydrophobicContact CG2-CD1 4.1Å; T498-L502 HydrophobicContact CG2-CG 4.49Å; T498-L502 WeakPolarHBondContact O-CB 3.32Å; T498-L502 WeakPolarHBondContact O-CG 3.47Å; T498-L502 PolarHBondContact O-N 2.96Å
499D90.3Very high90Very high125 Ų12547 Ų4767%0.66826%0.256SS*.Hα-helixtrans-67.2-42.6-177.7-176.371.5000112D497 L502 T503D497-D499 PolarHBondContact O-N 3.19Å; D499-L502 PolarHBondContact O-N 2.85Å; D499-T503 WeakPolarHBondContact O-CB 3.39Å; D499-T503 PolarHBondContact O-N 3.37Å; D499-T503 PolarHBondContact O-OG1 2.91Å
500R91.8Very high89.2Confident112 Ų11253 Ų5342%0.42328%0.284SS..Hα-helixtrans-62.1-44.8175.3-172-173-58.813110.9110.9T478 D497 T503 G504T478-R500 PolarHBondContact OG1-NH1 3.35Å; T478-R500 VanDerWaalsContact OG1-NH1 3.09Å; D497-R500 PolarHBondContact O-N 3.4Å; D497-R500 IonicContact OD1-CZ 3.4Å; D497-R500 IonicContact OD1-NH1 3.66Å; D497-R500 PolarHBondContact OD1-NH1 3.26Å; D497-R500 IonicContact OD1-NH2 3.75Å; R500-T503 PolarHBondContact O-N 3.2Å; R500-G504 PolarHBondContact O-N 3.46Å
501F92.1Very high87.6Confident0 Ų060.6 Ų60.60%032%0.324CS..Hα-helixtrans-60.8-49.5178.3177-97000111.6V447 F470 I473 I481 L493 D497 T498 G504 L505V447-F501 HydrophobicContact CG1-CE1 3.83Å; V447-F501 HydrophobicContact CG1-CZ 4.19Å; F470-F501 HydrophobicContact CD1-CE1 4.41Å; F470-F501 HydrophobicContact CD1-CE2 4.16Å; F470-F501 AromaticContact CD1-CZ 3.46Å; F470-F501 HydrophobicContact CD1-CZ 3.46Å; F470-F501 VanDerWaalsContact CD1-CZ 3.46Å; F470-F501 HydrophobicContact CE1-CE1 4.22Å; F470-F501 AromaticContact CE1-CZ 3.69Å; F470-F501 HydrophobicContact CE1-CZ 3.69Å; F470-F501 HydrophobicContact CG-CE2 4.46Å; F470-F501 AromaticContact CG-CZ 3.96Å; F470-F501 HydrophobicContact CG-CZ 3.96Å; F470-F501 HydrophobicContact CZ-CZ 4.35Å; I473-F501 HydrophobicContact CB-CD2 4.31Å; I473-F501 HydrophobicContact CB-CE2 4.25Å; I473-F501 HydrophobicContact CG2-CD2 3.53Å; I473-F501 HydrophobicContact CG2-CE2 3.97Å; I473-F501 HydrophobicContact CG2-CG 4.43Å; I481-F501 HydrophobicContact CD1-CD2 3.7Å; I481-F501 HydrophobicContact CD1-CE2 3.6Å; L493-F501 HydrophobicContact CD1-CB 4.12Å; L493-F501 HydrophobicContact CD1-CD2 4.21Å; L493-F501 HydrophobicContact CD1-CG 4.2Å; L493-F501 HydrophobicContact CD2-CB 3.68Å; L493-F501 HydrophobicContact CD2-CD1 3.74Å; L493-F501 HydrophobicContact CD2-CD2 4.36Å; L493-F501 HydrophobicContact CD2-CE1 4.47Å; L493-F501 HydrophobicContact CD2-CG 3.66Å; D497-F501 VanDerWaalsContact O-CB 3.28Å; D497-F501 WeakPolarHBondContact O-CB 3.35Å; D497-F501 PolarHBondContact O-N 3.46Å; T498-F501 PolarHBondContact O-N 3.01Å; F501-G504 PolarHBondContact O-N 3.4Å; F501-L505 HydrophobicContact CE1-CD2 4.19Å; F501-L505 VanDerWaalsContact O-CB 3.3Å; F501-L505 WeakPolarHBondContact O-CB 3.15Å; F501-L505 PolarHBondContact O-N 3.21Å
502L90.2Very high87.3Confident65 Ų6563.7 Ų63.734%0.3434%0.34SS..Hα-helixtrans-63.8-42.2179.4-74.3177.4000112.2I435 T498 D499 L505 V506I435-L502 HydrophobicContact CD1-CD1 4.16Å; I435-L502 HydrophobicContact CD1-CD2 3.88Å; I435-L502 HydrophobicContact CD1-CG 4.14Å; T498-L502 HydrophobicContact CG2-CD1 4.1Å; T498-L502 HydrophobicContact CG2-CG 4.49Å; T498-L502 WeakPolarHBondContact O-CB 3.32Å; T498-L502 WeakPolarHBondContact O-CG 3.47Å; T498-L502 PolarHBondContact O-N 2.96Å; D499-L502 PolarHBondContact O-N 2.85Å; L502-L505 PolarHBondContact O-N 3.24Å; L502-V506 WeakPolarHBondContact O-CG2 3.38Å; L502-V506 PolarHBondContact O-N 3.32Å
503T90.9Very high87Confident89 Ų8966.4 Ų66.455%0.54636%0.355SS..Hα-helixtrans-62.4-46.3176.6-59.70000111D499 R500 L505 V506 G507D499-T503 WeakPolarHBondContact O-CB 3.39Å; D499-T503 PolarHBondContact O-N 3.37Å; D499-T503 PolarHBondContact O-OG1 2.91Å; R500-T503 PolarHBondContact O-N 3.2Å; T503-L505 PolarHBondContact O-N 3.4Å; T503-V506 PolarHBondContact O-N 3.36Å; T503-G507 PolarHBondContact O-N 3.34Å
504G90.1Very high86.7Confident22 Ų2270 Ų7023%0.22737%0.374CS..Hα-helixtrans-60.9-44.7176.300000112.1I473 R500 F501 G507 L508I473-G504 WeakPolarHBondContact CD1-O 3.23Å; R500-G504 PolarHBondContact O-N 3.46Å; F501-G504 PolarHBondContact O-N 3.4Å; G504-G507 PolarHBondContact O-N 2.77Å; G504-L508 WeakPolarHBondContact O-CB 3.42Å; G504-L508 PolarHBondContact O-N 3.15Å
505L90.2Very high86.4Confident6 Ų669.8 Ų69.83%0.03138%0.379CS..Hα-helixtrans-63.8-41.9178.6-17564.4000112V433 F466 A469 F470 I473 F501 L502 T503 G507 L508 L509V433-L505 HydrophobicContact CG2-CD2 3.85Å; F466-L505 HydrophobicContact CD1-CD1 4.41Å; F466-L505 HydrophobicContact CE1-CD1 4.48Å; F466-L505 HydrophobicContact CE1-CD2 4.16Å; A469-L505 HydrophobicContact CB-CD1 3.8Å; F470-L505 HydrophobicContact CD1-CD1 4.14Å; F470-L505 HydrophobicContact CD1-CD2 4.49Å; F470-L505 HydrophobicContact CE1-CD1 4.1Å; F470-L505 HydrophobicContact CE1-CD2 3.8Å; I473-L505 HydrophobicContact CG1-CB 4.46Å; F501-L505 HydrophobicContact CE1-CD2 4.19Å; F501-L505 VanDerWaalsContact O-CB 3.3Å; F501-L505 WeakPolarHBondContact O-CB 3.15Å; F501-L505 PolarHBondContact O-N 3.21Å; L502-L505 PolarHBondContact O-N 3.24Å; T503-L505 PolarHBondContact O-N 3.4Å; L505-G507 VanDerWaalsContact C-N 3.34Å; L505-L508 PolarHBondContact O-N 2.76Å; L505-L509 HydrophobicContact CD1-CD1 3.98Å; L505-L509 HydrophobicContact CD1-CG 4.15Å; L505-L509 HydrophobicContact CG-CD1 3.97Å; L505-L509 HydrophobicContact CG-CG 4.43Å; L505-L509 WeakPolarHBondContact O-CB 3.48Å; L505-L509 VanDerWaalsContact O-CG 3.26Å; L505-L509 WeakPolarHBondContact O-CG 3.3Å; L505-L509 PolarHBondContact O-N 3.01Å
506V86.8Confident86.3Confident77 Ų7772 Ų7247%0.46739%0.386SS..Hα-helixtrans-63.2-41.8176.4171.80000111L502 T503 Q510L502-V506 WeakPolarHBondContact O-CG2 3.38Å; L502-V506 PolarHBondContact O-N 3.32Å; T503-V506 PolarHBondContact O-N 3.36Å; V506-Q510 VanDerWaalsContact CG1-NE2 3.33Å; V506-Q510 WeakPolarHBondContact O-CB 3.1Å; V506-Q510 VanDerWaalsContact O-CG 3.24Å; V506-Q510 WeakPolarHBondContact O-CG 3.37Å; V506-Q510 PolarHBondContact O-N 3.14Å
507G85.8Confident86.1Confident30 Ų3067 Ų6731%0.30937%0.365SS..Hα-helixtrans-60.9-49.3174.600000111.8T503 G504 L505 L509 Q510 D511T503-G507 PolarHBondContact O-N 3.34Å; G504-G507 PolarHBondContact O-N 2.77Å; L505-G507 VanDerWaalsContact C-N 3.34Å; G507-L509 VanDerWaalsContact C-N 3.29Å; G507-L509 PolarHBondContact O-N 2.81Å; G507-Q510 PolarHBondContact O-N 3.3Å; G507-D511 PolarHBondContact O-N 3.05Å
508L85.6Confident85.6Confident24 Ų2471.3 Ų71.313%0.12639%0.389CS..Hα-helixtrans-62.5-32-178.9-176.565.9000113.9A469 R472 I473 G504 L505A469-L508 HydrophobicContact CB-CD2 3.97Å; R472-L508 HydrophobicContact CB-CD2 3.99Å; I473-L508 HydrophobicContact CD1-CB 4.07Å; I473-L508 HydrophobicContact CD1-CD2 3.91Å; I473-L508 HydrophobicContact CG1-CD2 4.18Å; G504-L508 WeakPolarHBondContact O-CB 3.42Å; G504-L508 PolarHBondContact O-N 3.15Å; L505-L508 PolarHBondContact O-N 2.76Å
509L81.1Confident85.3Confident72 Ų7274.3 Ų74.338%0.37740%0.404SS..THydrogen-bonded Turntrans-90.3-6.6-179.5-62.8-179.9000113.8L465 F466 A469 L505 G507L465-L509 HydrophobicContact CD1-CD1 4.49Å; L465-L509 HydrophobicContact CD1-CD2 3.29Å; F466-L509 HydrophobicContact CE1-CD1 3.86Å; F466-L509 HydrophobicContact CZ-CD1 4.44Å; A469-L509 HydrophobicContact CB-CD2 4.48Å; L505-L509 HydrophobicContact CD1-CD1 3.98Å; L505-L509 HydrophobicContact CD1-CG 4.15Å; L505-L509 HydrophobicContact CG-CD1 3.97Å; L505-L509 HydrophobicContact CG-CG 4.43Å; L505-L509 WeakPolarHBondContact O-CB 3.48Å; L505-L509 VanDerWaalsContact O-CG 3.26Å; L505-L509 WeakPolarHBondContact O-CG 3.3Å; L505-L509 PolarHBondContact O-N 3.01Å; G507-L509 VanDerWaalsContact C-N 3.29Å; G507-L509 PolarHBondContact O-N 2.81Å
510Q75Confident84.8Confident157 Ų15770.1 Ų70.173%0.73438%0.382SS*.THydrogen-bonded Turntrans-93.6-27.7173.7-77.5178.66.300112.5V506 G507V506-Q510 VanDerWaalsContact CG1-NE2 3.33Å; V506-Q510 WeakPolarHBondContact O-CB 3.1Å; V506-Q510 VanDerWaalsContact O-CG 3.24Å; V506-Q510 WeakPolarHBondContact O-CG 3.37Å; V506-Q510 PolarHBondContact O-N 3.14Å; G507-Q510 PolarHBondContact O-N 3.3Å
511D58.5Low84.2Confident187 Ų18766.3 Ų66.3100%138%0.378SS*.  trans-72.30167.8-63.7-25.3000110.8G507G507-D511 PolarHBondContact O-N 3.05Å

Retrieved 511 of 511 residues in 413.9 ms (Link to these results)

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