A0A096NWT8_PAPAN Loading...

Uteroglobin

AlphaFold DB , UniProt , Accession A0A096NWT8, Species PAPAN (Papio anubis, Olive baboon), Gene SCGB1A1, Length 91 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
1M52.6Low59.9Low223 Ų223114.5 Ų114.5100%1.09963%0.632SS**  0-29.50-82.4-179.616700114.9
2K54.1Low60.1Low189 Ų189113.9 Ų113.982%0.82263%0.626SS**  trans-66.3-35.4179.8-81.4176.1168.41760115A4K2-A4 PolarHBondContact O-N 3.27Å
3L54.8Low60.4Low148 Ų148109.4 Ų109.478%0.77561%0.613SS**Hα-helixtrans-74.4-24.4-176.2-67.1168.7000114.3V5 T6 L7L3-V5 VanDerWaalsContact C-N 3.25Å; L3-V5 PolarHBondContact O-N 3.13Å; L3-T6 WeakPolarHBondContact CA-OG1 3.46Å; L3-T6 PolarHBondContact O-OG1 2.89Å; L3-T6 VanDerWaalsContact O-OG1 3.05Å; L3-L7 PolarHBondContact O-N 3.1Å
4A57.8Low60.3Low76 Ų76109.2 Ų109.263%0.62861%0.609SS**Hα-helixtrans-72.7-19.8-179.900000112.8K2 P8K2-A4 PolarHBondContact O-N 3.27Å; A4-P8 WeakPolarHBondContact O-CD 3.46Å; A4-P8 VanDerWaalsContact O-CG 3.3Å; A4-P8 WeakPolarHBondContact O-CG 3.31Å
5V59.9Low60Low87 Ų87114.7 Ų114.753%0.52762%0.618SS.*Hα-helixtrans-96.8-29.7179.5-178.60000111.4L3 P8 L9L3-V5 VanDerWaalsContact C-N 3.25Å; L3-V5 PolarHBondContact O-N 3.13Å; V5-P8 WeakPolarHBondContact O-CD 3.38Å; V5-P8 WeakPolarHBondContact O-CG 3.44Å; V5-L9 HydrophobicContact CG1-CD1 3.85Å; V5-L9 WeakPolarHBondContact O-CD1 3.34Å; V5-L9 WeakPolarHBondContact O-CG 3.39Å; V5-L9 PolarHBondContact O-N 3.06Å
6T60.8Low59.7Low71 Ų71113.1 Ų113.144%0.43662%0.617SS.*Hα-helixtrans-71.7-36.7-180500000113L3 V10L3-T6 WeakPolarHBondContact CA-OG1 3.46Å; L3-T6 PolarHBondContact O-OG1 2.89Å; L3-T6 VanDerWaalsContact O-OG1 3.05Å; T6-V10 VanDerWaalsContact O-CG2 3.27Å; T6-V10 WeakPolarHBondContact O-CG2 3.15Å; T6-V10 PolarHBondContact O-N 3.46Å
7L60.8Low59.4Low130 Ų130112.4 Ų112.468%0.68162%0.623SS**Hα-helixtrans-63.3-49.7179.4-163.770.9000113L3 L9 V10 T11L3-L7 PolarHBondContact O-N 3.1Å; L7-L9 PolarHBondContact O-N 3.12Å; L7-V10 PolarHBondContact O-N 2.96Å; L7-T11 PolarHBondContact O-N 3.15Å; L7-T11 VanDerWaalsContact O-N 3.12Å; L7-T11 PolarHBondContact O-OG1 2.94Å
8P63.6Low59Low68 Ų68110.9 Ų110.944%0.44262%0.621SS.*Hα-helixtrans-65-36.3177.323-32.2000112.9A4 V5 T11 L12A4-P8 WeakPolarHBondContact O-CD 3.46Å; A4-P8 VanDerWaalsContact O-CG 3.3Å; A4-P8 WeakPolarHBondContact O-CG 3.31Å; V5-P8 WeakPolarHBondContact O-CD 3.38Å; V5-P8 WeakPolarHBondContact O-CG 3.44Å; P8-T11 WeakPolarHBondContact CA-OG1 3.3Å; P8-T11 PolarHBondContact O-N 3.16Å; P8-T11 PolarHBondContact O-OG1 3.34Å; P8-L12 WeakPolarHBondContact O-CB 3.36Å; P8-L12 PolarHBondContact O-N 3.17Å
9L62.8Low58.6Low103 Ų103108.9 Ų108.954%0.53962%0.621SS.*Hα-helixtrans-64.3-38.7176.3-82.4165000112.6V5 L7 L12 A13V5-L9 HydrophobicContact CG1-CD1 3.85Å; V5-L9 WeakPolarHBondContact O-CD1 3.34Å; V5-L9 WeakPolarHBondContact O-CG 3.39Å; V5-L9 PolarHBondContact O-N 3.06Å; L7-L9 PolarHBondContact O-N 3.12Å; L9-L12 PolarHBondContact O-N 3.06Å; L9-A13 VanDerWaalsContact O-CB 3.31Å; L9-A13 WeakPolarHBondContact O-CB 3.5Å; L9-A13 PolarHBondContact O-N 3.49Å
10V66.9Low58.6Low84 Ų84106.3 Ų106.351%0.50961%0.609SS.*Hα-helixtrans-68.9-42.2176171.10000110.8T6 L7 L12 A13 L14T6-V10 VanDerWaalsContact O-CG2 3.27Å; T6-V10 WeakPolarHBondContact O-CG2 3.15Å; T6-V10 PolarHBondContact O-N 3.46Å; L7-V10 PolarHBondContact O-N 2.96Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 3.47Å; V10-A13 PolarHBondContact O-N 3.11Å; V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 WeakPolarHBondContact O-CB 3.35Å; V10-L14 VanDerWaalsContact O-CG 3.26Å; V10-L14 WeakPolarHBondContact O-CG 3.48Å; V10-L14 PolarHBondContact O-N 2.83Å
11T64.7Low58.8Low80 Ų80105.4 Ų105.449%0.49162%0.615SS.*Hα-helixtrans-63.9-36.8172.730.10000112.9L7 P8 L14 Y15L7-T11 PolarHBondContact O-N 3.15Å; L7-T11 VanDerWaalsContact O-N 3.12Å; L7-T11 PolarHBondContact O-OG1 2.94Å; P8-T11 WeakPolarHBondContact CA-OG1 3.3Å; P8-T11 PolarHBondContact O-N 3.16Å; P8-T11 PolarHBondContact O-OG1 3.34Å; T11-L14 PolarHBondContact O-N 2.7Å; T11-Y15 WeakPolarHBondContact O-CB 3.27Å; T11-Y15 PolarHBondContact O-N 3.02Å
12L62Low59.8Low108 Ų108103.3 Ų103.357%0.56560%0.602SS**Hα-helixtrans-70.6-41.7177-166.370.9000111.1P8 L9 V10 L14 Y15 C16P8-L12 WeakPolarHBondContact O-CB 3.36Å; P8-L12 PolarHBondContact O-N 3.17Å; L9-L12 PolarHBondContact O-N 3.06Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 3.47Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3.12Å; L12-Y15 PolarHBondContact O-N 2.82Å; L12-C16 VanDerWaalsContact O-CB 3.23Å; L12-C16 WeakPolarHBondContact O-CB 3.23Å; L12-C16 PolarHBondContact O-N 3.15Å; L12-C16 PolarHBondContact O-SG 2.95Å
13A64.5Low60.9Low55 Ų5597.2 Ų97.246%0.45558%0.581SS.*Hα-helixtrans-60.2-42.6173.600000111.3L9 V10 S17L9-A13 VanDerWaalsContact O-CB 3.31Å; L9-A13 WeakPolarHBondContact O-CB 3.5Å; L9-A13 PolarHBondContact O-N 3.49Å; V10-A13 PolarHBondContact O-N 3.11Å; A13-S17 WeakPolarHBondContact O-CB 3.22Å; A13-S17 PolarHBondContact O-N 3.22Å; A13-S17 PolarHBondContact O-OG 3.23Å
14L59.4Low62.4Low107 Ų10793 Ų9356%0.5656%0.563SS**Hα-helixtrans-67.1-41.3175.6-70.4166.9000112.3V10 T11 L12 S17 S18V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 WeakPolarHBondContact O-CB 3.35Å; V10-L14 VanDerWaalsContact O-CG 3.26Å; V10-L14 WeakPolarHBondContact O-CG 3.48Å; V10-L14 PolarHBondContact O-N 2.83Å; T11-L14 PolarHBondContact O-N 2.7Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3.12Å; L14-S17 PolarHBondContact O-N 2.72Å; L14-S18 PolarHBondContact O-N 3.34Å; L14-S18 PolarHBondContact O-OG 2.86Å; L14-S18 VanDerWaalsContact O-OG 3.13Å
15Y55.6Low63.7Low191 Ų19194.3 Ų94.375%0.74957%0.565SS**Hα-helixtrans-68.8-35.7176.1-112.7-94.5000113.2T11 L12 S18 A19T11-Y15 WeakPolarHBondContact O-CB 3.27Å; T11-Y15 PolarHBondContact O-N 3.02Å; L12-Y15 PolarHBondContact O-N 2.82Å; Y15-S18 PolarHBondContact O-N 3.49Å; Y15-A19 PolarHBondContact O-N 3.36Å
16C54.7Low65.2Low89 Ų8992.7 Ų92.760%0.60156%0.556SS**Hα-helixtrans-76.6-24.5176.5-69.50000112.5L12 S18L12-C16 VanDerWaalsContact O-CB 3.23Å; L12-C16 WeakPolarHBondContact O-CB 3.23Å; L12-C16 PolarHBondContact O-N 3.15Å; L12-C16 PolarHBondContact O-SG 2.95Å; C16-S18 VanDerWaalsContact C-N 3.25Å
17S55.5Low66.5Low101 Ų10194.5 Ų94.571%0.70656%0.558SS**Hα-helixtrans-71-24.2173.8-57.70000112.3A13 L14A13-S17 WeakPolarHBondContact O-CB 3.22Å; A13-S17 PolarHBondContact O-N 3.22Å; A13-S17 PolarHBondContact O-OG 3.23Å; L14-S17 PolarHBondContact O-N 2.72Å
18S51Low67.9Low86 Ų8691.9 Ų91.960%0.60154%0.544SS*.SBendtrans-110.47.3-175.8-45.60000113.4L14 Y15 C16 S20L14-S18 PolarHBondContact O-N 3.34Å; L14-S18 PolarHBondContact O-OG 2.86Å; L14-S18 VanDerWaalsContact O-OG 3.13Å; Y15-S18 PolarHBondContact O-N 3.49Å; C16-S18 VanDerWaalsContact C-N 3.25Å; S18-S20 PolarHBondContact O-N 2.67Å
19A52.7Low69.3Low74 Ų7495 Ų9561%0.61255%0.547SS*.  trans-73.874.7170.700000108Y15 A21Y15-A19 PolarHBondContact O-N 3.36Å; A19-A21 PolarHBondContact O-N 3.39Å
20S57.2Low70.8Confident55 Ų5591.1 Ų91.139%0.38553%0.527SS..  trans-59.2105.9162.2178.70000106.5S18 E22 C90 N91S18-S20 PolarHBondContact O-N 2.67Å; S20-E22 PolarHBondContact O-N 3.27Å; S20-C90 PolarHBondContact OG-O 2.92Å; S20-N91 VanDerWaalsContact CB-OXT 3.28Å; S20-N91 WeakPolarHBondContact CB-OXT 3.44Å
21A63.8Low72.1Confident88 Ų8888.9 Ų88.973%0.72751%0.512SS*.  trans-68.5111.3166.200000105.5A19 V23A19-A21 PolarHBondContact O-N 3.39Å; A21-V23 PolarHBondContact O-N 3.19Å
22E72.6Confident73.5Confident180 Ų18090.1 Ų90.184%0.84151%0.512SS*.  trans-45137.6170.9-70.6-178.6160.800109.4S20 C24S20-E22 PolarHBondContact O-N 3.27Å; E22-C24 PolarHBondContact O-N 2.98Å
23V77.8Confident75.2Confident60 Ų6085 Ų8536%0.36449%0.486SS..  trans-57.9130.7179.1172.60000109.2A21 P25 F27 L28 D85A21-V23 PolarHBondContact O-N 3.19Å; V23-P25 VanDerWaalsContact O-CD 3.28Å; V23-P25 WeakPolarHBondContact O-CD 3.5Å; V23-P25 VanDerWaalsContact O-N 3.15Å; V23-F27 HydrophobicContact CG1-CD1 4.21Å; V23-L28 HydrophobicContact CG1-CD1 4.27Å; V23-L28 HydrophobicContact CG1-CD2 3.71Å; V23-L28 HydrophobicContact CG1-CG 3.77Å; V23-D85 WeakPolarHBondContact CB-OD1 3.42Å; V23-D85 WeakPolarHBondContact CG2-OD1 3.29Å
24C85.8Confident76.7Confident61 Ų6183.6 Ų83.641%0.41247%0.471SS..  trans-54.5118.7-178.7175.60000110.7E22 T26 F27 L28E22-C24 PolarHBondContact O-N 2.98Å; C24-T26 PolarHBondContact O-N 2.89Å; C24-T26 VanDerWaalsContact O-N 3.16Å; C24-F27 HydrophobicContact CB-CB 3.94Å; C24-F27 WeakPolarHBondContact O-CA 3.35Å; C24-F27 WeakPolarHBondContact O-CB 3.45Å; C24-F27 PolarHBondContact O-N 2.91Å; C24-L28 PolarHBondContact O-N 3.37Å; C24-L28 VanDerWaalsContact O-N 3.12Å
25P86.4Confident78.5Confident102 Ų10278.8 Ų78.866%0.66245%0.445SS*.Hα-helixtrans-58.3-33.3-179.3-27.135.2000113.2V23 F27 L28 R29V23-P25 VanDerWaalsContact O-CD 3.28Å; V23-P25 WeakPolarHBondContact O-CD 3.5Å; V23-P25 VanDerWaalsContact O-N 3.15Å; P25-F27 VanDerWaalsContact C-N 3.31Å; P25-F27 PolarHBondContact O-N 3.15Å; P25-L28 PolarHBondContact O-N 3.18Å; P25-R29 PolarHBondContact O-N 3.46Å
26T89.9Confident80.4Confident54 Ų5472.9 Ų72.933%0.33143%0.427SS..Hα-helixtrans-66.4-35.2175.9-46.90000111.5C24 R29 V30 F49C24-T26 PolarHBondContact O-N 2.89Å; C24-T26 VanDerWaalsContact O-N 3.16Å; T26-R29 PolarHBondContact O-N 3.06Å; T26-V30 WeakPolarHBondContact O-CG2 3.37Å; T26-V30 PolarHBondContact O-N 3.44Å; T26-V30 VanDerWaalsContact O-N 3.15Å; T26-F49 HydrophobicContact CG2-CE2 3.69Å; T26-F49 HydrophobicContact CG2-CZ 3.49Å; T26-F49 VanDerWaalsContact CG2-CZ 3.49Å
27F89.9Confident82.3Confident109 Ų10972.3 Ų72.348%0.47842%0.417SS..Hα-helixtrans-68.5-40.6175-178.5-114.7000111.6V23 C24 P25 R29 V30 I31V23-F27 HydrophobicContact CG1-CD1 4.21Å; C24-F27 HydrophobicContact CB-CB 3.94Å; C24-F27 WeakPolarHBondContact O-CA 3.35Å; C24-F27 WeakPolarHBondContact O-CB 3.45Å; C24-F27 PolarHBondContact O-N 2.91Å; P25-F27 VanDerWaalsContact C-N 3.31Å; P25-F27 PolarHBondContact O-N 3.15Å; F27-R29 VanDerWaalsContact C-N 3.3Å; F27-R29 PolarHBondContact O-N 3.29Å; F27-V30 WeakPolarHBondContact O-CB 3.34Å; F27-V30 PolarHBondContact O-N 3.34Å; F27-V30 VanDerWaalsContact O-N 3.08Å; F27-I31 HydrophobicContact CD1-CD1 4.05Å; F27-I31 HydrophobicContact CE1-CD1 3.5Å; F27-I31 HydrophobicContact CE1-CG1 4.31Å; F27-I31 HydrophobicContact CE2-CD1 4.5Å; F27-I31 HydrophobicContact CZ-CD1 3.76Å; F27-I31 HydrophobicContact CZ-CG1 4.23Å; F27-I31 PolarHBondContact O-N 3.49Å
28L89.9Confident84.3Confident74 Ų7470.8 Ų70.839%0.38740%0.404SS..Hα-helixtrans-58.2-42.7173.2-66.7176.3000111.7V23 C24 P25 V30 I31 E32V23-L28 HydrophobicContact CG1-CD1 4.27Å; V23-L28 HydrophobicContact CG1-CD2 3.71Å; V23-L28 HydrophobicContact CG1-CG 3.77Å; C24-L28 PolarHBondContact O-N 3.37Å; C24-L28 VanDerWaalsContact O-N 3.12Å; P25-L28 PolarHBondContact O-N 3.18Å; L28-V30 VanDerWaalsContact C-N 3.32Å; L28-V30 PolarHBondContact O-N 3.47Å; L28-I31 PolarHBondContact O-N 3.08Å; L28-E32 WeakPolarHBondContact O-CB 3.44Å; L28-E32 PolarHBondContact O-N 2.9Å
29R91.9Very high86.4Confident133 Ų13370.1 Ų70.150%0.50240%0.398SS..Hα-helixtrans-60.3-39.5174.5-169.2-153.9-79.8173.9-6.7112.2P25 T26 F27 E32 S33P25-R29 PolarHBondContact O-N 3.46Å; T26-R29 PolarHBondContact O-N 3.06Å; F27-R29 VanDerWaalsContact C-N 3.3Å; F27-R29 PolarHBondContact O-N 3.29Å; R29-E32 PolarHBondContact O-N 3.12Å; R29-S33 WeakPolarHBondContact O-CB 3.41Å; R29-S33 PolarHBondContact O-N 2.98Å; R29-S33 PolarHBondContact O-OG 3.41Å; R29-S33 VanDerWaalsContact O-OG 3.09Å
30V95.1Very high88.5Confident22 Ų2270.2 Ų70.213%0.13339%0.394CS..Hα-helixtrans-62.6-43.8176.3173.70000110.7T26 F27 L28 S33 L34 F42 A45 M46 F49T26-V30 WeakPolarHBondContact O-CG2 3.37Å; T26-V30 PolarHBondContact O-N 3.44Å; T26-V30 VanDerWaalsContact O-N 3.15Å; F27-V30 WeakPolarHBondContact O-CB 3.34Å; F27-V30 PolarHBondContact O-N 3.34Å; F27-V30 VanDerWaalsContact O-N 3.08Å; L28-V30 VanDerWaalsContact C-N 3.32Å; L28-V30 PolarHBondContact O-N 3.47Å; V30-S33 PolarHBondContact O-N 2.83Å; V30-S33 PolarHBondContact O-OG 2.93Å; V30-L34 WeakPolarHBondContact O-CB 3.5Å; V30-L34 PolarHBondContact O-N 3.25Å; V30-F42 HydrophobicContact CG1-CD2 4.49Å; V30-F42 HydrophobicContact CG1-CE2 3.85Å; V30-A45 HydrophobicContact CG2-CB 4.12Å; V30-M46 HydrophobicContact CG1-CG 4.21Å; V30-F49 HydrophobicContact CG2-CD2 4.45Å; V30-F49 HydrophobicContact CG2-CE2 3.79Å
31I94.1Very high90.3Very high37 Ų3770.1 Ų70.119%0.1939%0.393CS..Hα-helixtrans-64.1-41.7176.4-65.7-179.9000111.6F27 L28 L34 C35 M81F27-I31 HydrophobicContact CD1-CD1 4.05Å; F27-I31 HydrophobicContact CE1-CD1 3.5Å; F27-I31 HydrophobicContact CE1-CG1 4.31Å; F27-I31 HydrophobicContact CE2-CD1 4.5Å; F27-I31 HydrophobicContact CZ-CD1 3.76Å; F27-I31 HydrophobicContact CZ-CG1 4.23Å; F27-I31 PolarHBondContact O-N 3.49Å; L28-I31 PolarHBondContact O-N 3.08Å; I31-L34 WeakPolarHBondContact O-CB 3.28Å; I31-L34 PolarHBondContact O-N 3.04Å; I31-C35 PolarHBondContact O-N 3.49Å; I31-C35 PolarHBondContact O-SG 3Å; I31-M81 HydrophobicContact CG2-CG 4.22Å
32E94.4Very high91.9Very high106 Ų10666.3 Ų66.350%0.49536%0.36SS..Hα-helixtrans-62.9-50.5178-171.4176.8-167.100110.9L28 R29 L34 C35 L36L28-E32 WeakPolarHBondContact O-CB 3.44Å; L28-E32 PolarHBondContact O-N 2.9Å; R29-E32 PolarHBondContact O-N 3.12Å; E32-L34 VanDerWaalsContact C-N 3.29Å; E32-L34 PolarHBondContact O-N 3.04Å; E32-C35 PolarHBondContact O-N 3.38Å; E32-L36 HydrophobicContact CG-CD1 3.97Å; E32-L36 PolarHBondContact O-N 3.44Å
33S96.6Very high93Very high1 Ų164.1 Ų64.11%0.00735%0.35CS..Hα-helixtrans-63.4-33.2178.365.50000113.1R29 V30 C35 D37 K63R29-S33 WeakPolarHBondContact O-CB 3.41Å; R29-S33 PolarHBondContact O-N 2.98Å; R29-S33 PolarHBondContact O-OG 3.41Å; R29-S33 VanDerWaalsContact O-OG 3.09Å; V30-S33 PolarHBondContact O-N 2.83Å; V30-S33 PolarHBondContact O-OG 2.93Å; S33-C35 VanDerWaalsContact C-N 3.26Å; S33-C35 PolarHBondContact O-N 3.06Å; S33-D37 VanDerWaalsContact CA-OD2 3.3Å; S33-D37 WeakPolarHBondContact CA-OD2 3.28Å; S33-D37 WeakPolarHBondContact CB-OD2 3.32Å; S33-D37 PolarHBondContact O-N 3.27Å; S33-D37 VanDerWaalsContact O-N 3.12Å; S33-K63 PolarHBondContact O-NZ 2.95Å
34L97.4Very high93.8Very high26 Ų2664.1 Ų64.114%0.13636%0.357CS..Hα-helixtrans-57.3-42.1172176.558.9000111.2V30 I31 E32 F42 L62 K63 V66V30-L34 WeakPolarHBondContact O-CB 3.5Å; V30-L34 PolarHBondContact O-N 3.25Å; I31-L34 WeakPolarHBondContact O-CB 3.28Å; I31-L34 PolarHBondContact O-N 3.04Å; E32-L34 VanDerWaalsContact C-N 3.29Å; E32-L34 PolarHBondContact O-N 3.04Å; L34-F42 HydrophobicContact CB-CD2 3.83Å; L34-F42 HydrophobicContact CB-CE2 3.68Å; L34-F42 HydrophobicContact CB-CZ 4.48Å; L34-F42 HydrophobicContact CD1-CD2 4.32Å; L34-F42 HydrophobicContact CD1-CE1 4.26Å; L34-F42 HydrophobicContact CD1-CE2 3.91Å; L34-F42 HydrophobicContact CD1-CZ 3.86Å; L34-F42 HydrophobicContact CG-CE2 4.28Å; L34-L62 HydrophobicContact CD1-CD2 4.39Å; L34-L62 HydrophobicContact CD1-CG 4.19Å; L34-L62 HydrophobicContact CD2-CD2 3.87Å; L34-L62 HydrophobicContact CD2-CG 4.35Å; L34-K63 HydrophobicContact CD1-CB 4.05Å; L34-K63 HydrophobicContact CD1-CD 3.96Å; L34-K63 VanDerWaalsContact O-CD 3.29Å; L34-K63 WeakPolarHBondContact O-CD 3.04Å; L34-K63 PolarHBondContact O-NZ 3.35Å; L34-V66 HydrophobicContact CD1-CB 4.39Å; L34-V66 HydrophobicContact CD1-CG2 4.11Å; L34-V66 HydrophobicContact CG-CG2 4.25Å; L34-V66 WeakPolarHBondContact O-CG1 3.37Å
35C96.7Very high94.2Very high5 Ų561.5 Ų61.53%0.03434%0.339CS..Hα-helixtrans-90.6-31.2-173.5-63.60000114.3I31 E32 S33 R74 I78I31-C35 PolarHBondContact O-N 3.49Å; I31-C35 PolarHBondContact O-SG 3Å; E32-C35 PolarHBondContact O-N 3.38Å; S33-C35 VanDerWaalsContact C-N 3.26Å; S33-C35 PolarHBondContact O-N 3.06Å; C35-R74 HydrophobicContact CB-CB 4.49Å; C35-R74 VanDerWaalsContact O-CD 3.22Å; C35-R74 WeakPolarHBondContact O-CD 3.47Å; C35-R74 PolarHBondContact O-NE 3.49Å; C35-R74 VanDerWaalsContact O-NE 3.1Å; C35-I78 HydrophobicContact CB-CD1 3.63Å; C35-I78 HydrophobicContact CB-CG1 3.66Å
36L95.3Very high94.6Very high68 Ų6857.9 Ų57.936%0.35631%0.313SS..Hα-helixtrans-114.4-32.6-170.1-59.3-176.5000114.8E32 I78E32-L36 HydrophobicContact CG-CD1 3.97Å; E32-L36 PolarHBondContact O-N 3.44Å; L36-I78 HydrophobicContact CD1-CD1 3.51Å; L36-I78 HydrophobicContact CD2-CD1 3.45Å; L36-I78 VanDerWaalsContact CD2-CD1 3.45Å; L36-I78 HydrophobicContact CG-CD1 3.3Å
37D94.9Very high94.7Very high76 Ų7657.3 Ų57.341%0.40632%0.319SS..SBendtrans-92.8179.5-167.5-64.4-24.1000112.9S33 K63S33-D37 VanDerWaalsContact CA-OD2 3.3Å; S33-D37 WeakPolarHBondContact CA-OD2 3.28Å; S33-D37 WeakPolarHBondContact CB-OD2 3.32Å; S33-D37 PolarHBondContact O-N 3.27Å; S33-D37 VanDerWaalsContact O-N 3.12Å; D37-K63 VanDerWaalsContact O-CE 3.23Å; D37-K63 WeakPolarHBondContact O-CE 3.43Å; D37-K63 PolarHBondContact O-NZ 2.99Å
38T96.3Very high94.8Very high70 Ų7058.7 Ų58.743%0.42933%0.325SS..  trans-71.5156.8172.364.10000111.6S40 S41 F42T38-S40 PolarHBondContact O-N 3.16Å; T38-S40 PolarHBondContact OG1-OG 3.12Å; T38-S41 PolarHBondContact O-N 3.07Å; T38-S41 PolarHBondContact OG1-N 3.4Å; T38-S41 PolarHBondContact OG1-OG 3.09Å; T38-F42 PolarHBondContact O-N 2.96Å
39P96.4Very high95.1Very high72 Ų7260.4 Ų60.447%0.46833%0.329SS..Hα-helixtrans-52-39.9172.9-29.235.7000114S41 F42 E43 K63P39-S41 PolarHBondContact O-N 3.39Å; P39-F42 PolarHBondContact O-N 2.88Å; P39-E43 WeakPolarHBondContact O-CB 3.46Å; P39-E43 PolarHBondContact O-N 2.89Å; P39-K63 HydrophobicContact CB-CG 4.29Å; P39-K63 HydrophobicContact CG-CG 4.31Å
40S95.8Very high95.3Very high75 Ų7559.1 Ų59.152%0.52434%0.341SS..Hα-helixtrans-64.8-37.6177.454.30000113.5T38 A44T38-S40 PolarHBondContact O-N 3.16Å; T38-S40 PolarHBondContact OG1-OG 3.12Å; S40-A44 WeakPolarHBondContact O-CB 3.47Å; S40-A44 PolarHBondContact O-N 2.91Å
41S95.8Very high95.3Very high53 Ų5359.9 Ų59.937%0.37135%0.346SS..Hα-helixtrans-71.4-38.9178.2-56.50000110.9T38 P39 A44 A45T38-S41 PolarHBondContact O-N 3.07Å; T38-S41 PolarHBondContact OG1-N 3.4Å; T38-S41 PolarHBondContact OG1-OG 3.09Å; P39-S41 PolarHBondContact O-N 3.39Å; S41-A44 PolarHBondContact O-N 3.48Å; S41-A45 WeakPolarHBondContact O-CB 3.42Å; S41-A45 PolarHBondContact O-N 3.33Å
42F96.9Very high95.5Very high8 Ų862 Ų624%0.03536%0.358CS..Hα-helixtrans-63.1-44.6172.7172.5-111.1000112.1V30 L34 T38 P39 A44 A45 M46 G59 K63V30-F42 HydrophobicContact CG1-CD2 4.49Å; V30-F42 HydrophobicContact CG1-CE2 3.85Å; L34-F42 HydrophobicContact CB-CD2 3.83Å; L34-F42 HydrophobicContact CB-CE2 3.68Å; L34-F42 HydrophobicContact CB-CZ 4.48Å; L34-F42 HydrophobicContact CD1-CD2 4.32Å; L34-F42 HydrophobicContact CD1-CE1 4.26Å; L34-F42 HydrophobicContact CD1-CE2 3.91Å; L34-F42 HydrophobicContact CD1-CZ 3.86Å; L34-F42 HydrophobicContact CG-CE2 4.28Å; T38-F42 PolarHBondContact O-N 2.96Å; P39-F42 PolarHBondContact O-N 2.88Å; F42-A44 VanDerWaalsContact C-N 3.35Å; F42-A44 PolarHBondContact O-N 3.15Å; F42-A45 WeakPolarHBondContact O-CB 3.43Å; F42-A45 PolarHBondContact O-N 3.08Å; F42-A45 VanDerWaalsContact O-N 3.15Å; F42-M46 HydrophobicContact CD1-CE 3.67Å; F42-M46 HydrophobicContact CD1-SD 4.29Å; F42-M46 HydrophobicContact CD2-CG 4.43Å; F42-M46 HydrophobicContact CE1-CE 3.24Å; F42-M46 HydrophobicContact CE1-CG 4.29Å; F42-M46 HydrophobicContact CE1-SD 3.46Å; F42-M46 WeakPolarHBondContact CE1-SD 3.4Å; F42-M46 HydrophobicContact CE2-CG 3.95Å; F42-M46 HydrophobicContact CE2-SD 3.96Å; F42-M46 HydrophobicContact CG-CE 4.49Å; F42-M46 HydrophobicContact CZ-CE 3.75Å; F42-M46 HydrophobicContact CZ-CG 3.88Å; F42-M46 HydrophobicContact CZ-SD 3.26Å; F42-M46 WeakPolarHBondContact CZ-SD 3.42Å; F42-M46 WeakPolarHBondContact O-CG 2.99Å; F42-M46 PolarHBondContact O-N 3.39Å; F42-G59 WeakPolarHBondContact CE1-O 3.47Å; F42-K63 HydrophobicContact CB-CD 4.35Å; F42-K63 HydrophobicContact CB-CG 4.48Å; F42-K63 HydrophobicContact CD1-CB 3.71Å; F42-K63 HydrophobicContact CD1-CD 4.29Å; F42-K63 HydrophobicContact CD1-CG 3.88Å; F42-K63 HydrophobicContact CE1-CB 3.85Å; F42-K63 HydrophobicContact CG-CD 4.31Å; F42-K63 HydrophobicContact CG-CG 4.36Å
43E95.2Very high95.6Very high134 Ų13464.2 Ų64.263%0.62637%0.368SS*.Hα-helixtrans-60.2-43.9175-171.9178.6174.300111.7P39 A45 M46 G47P39-E43 WeakPolarHBondContact O-CB 3.46Å; P39-E43 PolarHBondContact O-N 2.89Å; E43-A45 VanDerWaalsContact C-N 3.32Å; E43-A45 PolarHBondContact O-N 3.36Å; E43-M46 PolarHBondContact O-N 3.04Å; E43-G47 PolarHBondContact O-N 3.49Å
44A94.6Very high95.7Very high61 Ų6170 Ų7050%0.50440%0.399SS..Hα-helixtrans-62.5-37.9174.300000112.5S40 S41 F42 G47 F48S40-A44 WeakPolarHBondContact O-CB 3.47Å; S40-A44 PolarHBondContact O-N 2.91Å; S41-A44 PolarHBondContact O-N 3.48Å; F42-A44 VanDerWaalsContact C-N 3.35Å; F42-A44 PolarHBondContact O-N 3.15Å; A44-G47 PolarHBondContact O-N 3.4Å; A44-F48 WeakPolarHBondContact O-CD2 3.36Å; A44-F48 WeakPolarHBondContact O-CE2 3.29Å
45A95Very high95.7Very high5 Ų574.2 Ų74.24%0.04142%0.419CS..Hα-helixtrans-67-37.1175.700000112.4V30 S41 F42 E43 F48V30-A45 HydrophobicContact CG2-CB 4.12Å; S41-A45 WeakPolarHBondContact O-CB 3.42Å; S41-A45 PolarHBondContact O-N 3.33Å; F42-A45 WeakPolarHBondContact O-CB 3.43Å; F42-A45 PolarHBondContact O-N 3.08Å; F42-A45 VanDerWaalsContact O-N 3.15Å; E43-A45 VanDerWaalsContact C-N 3.32Å; E43-A45 PolarHBondContact O-N 3.36Å; A45-F48 WeakPolarHBondContact O-CD2 3.4Å
46M94.8Very high95.7Very high26 Ų2676 Ų7613%0.12843%0.432CS..Hα-helixtrans-70.3-33173.2-69.5-169-62.500112.4V30 F42 E43 F48 F49 P51V30-M46 HydrophobicContact CG1-CG 4.21Å; F42-M46 HydrophobicContact CD1-CE 3.67Å; F42-M46 HydrophobicContact CD1-SD 4.29Å; F42-M46 HydrophobicContact CD2-CG 4.43Å; F42-M46 HydrophobicContact CE1-CE 3.24Å; F42-M46 HydrophobicContact CE1-CG 4.29Å; F42-M46 HydrophobicContact CE1-SD 3.46Å; F42-M46 WeakPolarHBondContact CE1-SD 3.4Å; F42-M46 HydrophobicContact CE2-CG 3.95Å; F42-M46 HydrophobicContact CE2-SD 3.96Å; F42-M46 HydrophobicContact CG-CE 4.49Å; F42-M46 HydrophobicContact CZ-CE 3.75Å; F42-M46 HydrophobicContact CZ-CG 3.88Å; F42-M46 HydrophobicContact CZ-SD 3.26Å; F42-M46 WeakPolarHBondContact CZ-SD 3.42Å; F42-M46 WeakPolarHBondContact O-CG 2.99Å; F42-M46 PolarHBondContact O-N 3.39Å; E43-M46 PolarHBondContact O-N 3.04Å; M46-F48 PolarHBondContact O-N 3.38Å; M46-F49 PolarHBondContact O-N 2.9Å; M46-P51 HydrophobicContact CB-CG 4.49Å; M46-P51 WeakPolarHBondContact O-CD 3.31Å
47G92.6Very high95.9Very high43 Ų4377.8 Ų77.844%0.44344%0.438SS..Hα-helixtrans-56-25.4-177.900000114.7E43 A44 F49 S50E43-G47 PolarHBondContact O-N 3.49Å; A44-G47 PolarHBondContact O-N 3.4Å; G47-F49 PolarHBondContact O-N 3.21Å; G47-F49 VanDerWaalsContact O-N 3.14Å; G47-S50 PolarHBondContact O-N 2.9Å; G47-S50 VanDerWaalsContact O-N 3.16Å
48F91.8Very high96Very high138 Ų13877 Ų7761%0.60544%0.442SS*.THydrogen-bonded Turntrans-61-19.8173.9-70.5-79000114A44 A45 M46A44-F48 WeakPolarHBondContact O-CD2 3.36Å; A44-F48 WeakPolarHBondContact O-CE2 3.29Å; A45-F48 WeakPolarHBondContact O-CD2 3.4Å; M46-F48 PolarHBondContact O-N 3.38Å
49F95Very high96.1Very high110 Ų11074.1 Ų74.148%0.48243%0.427SS..THydrogen-bonded Turntrans-102.82.6-178.4-60.4-84.3000113.2T26 V30 M46 G47T26-F49 HydrophobicContact CG2-CE2 3.69Å; T26-F49 HydrophobicContact CG2-CZ 3.49Å; T26-F49 VanDerWaalsContact CG2-CZ 3.49Å; V30-F49 HydrophobicContact CG2-CD2 4.45Å; V30-F49 HydrophobicContact CG2-CE2 3.79Å; M46-F49 PolarHBondContact O-N 2.9Å; G47-F49 PolarHBondContact O-N 3.21Å; G47-F49 VanDerWaalsContact O-N 3.14Å
50S95.8Very high96.1Very high106 Ų10672.7 Ų72.774%0.74142%0.421SS*.  trans48.453.7-178.4-56.20000113.3G47G47-S50 PolarHBondContact O-N 2.9Å; G47-S50 VanDerWaalsContact O-N 3.16Å
51P96.4Very high96.2Very high38 Ų3874.3 Ų74.325%0.24742%0.42CS..  trans-60.214617827.8-35.2000110.5M46 M55 S56M46-P51 HydrophobicContact CB-CG 4.49Å; M46-P51 WeakPolarHBondContact O-CD 3.31Å; P51-M55 HydrophobicContact CB-CB 3.78Å; P51-S56 WeakPolarHBondContact CG-OG 3.43Å
52D98Very high96.3Very high82 Ų8276 Ų7644%0.43943%0.425SS..  trans-69.9177.6168.165.142.5000111.2D54 M55 S56D52-D54 PolarHBondContact O-N 3.2Å; D52-D54 PolarHBondContact OD1-N 3.43Å; D52-D54 VanDerWaalsContact OD1-N 3.09Å; D52-M55 PolarHBondContact O-N 3.06Å; D52-M55 WeakPolarHBondContact OD1-CB 3.42Å; D52-M55 VanDerWaalsContact OD1-CG 3.27Å; D52-M55 WeakPolarHBondContact OD1-CG 3.47Å; D52-M55 PolarHBondContact OD1-N 2.94Å; D52-M55 WeakPolarHBondContact OD2-CE 3.45Å; D52-S56 WeakPolarHBondContact O-CB 3.35Å; D52-S56 PolarHBondContact O-N 3.42Å; D52-S56 PolarHBondContact O-OG 2.87Å
53Q97.1Very high96.4Very high152 Ų15275.6 Ų75.671%0.7142%0.423SS*.Hα-helixtrans-62.1-43.2-176.3-177.5174.9-19.200112.1S56 E57Q53-S56 PolarHBondContact O-N 3.33Å; Q53-E57 WeakPolarHBondContact O-CB 3.47Å; Q53-E57 PolarHBondContact O-N 3.35Å
54D98.1Very high96.5Very high121 Ų12176.2 Ų76.265%0.64742%0.424SS*.Hα-helixtrans-68.2-41.6-177.3-67.5-9.7000110.4D52 E57 A58D52-D54 PolarHBondContact O-N 3.2Å; D52-D54 PolarHBondContact OD1-N 3.43Å; D52-D54 VanDerWaalsContact OD1-N 3.09Å; D54-E57 PolarHBondContact O-N 2.95Å; D54-A58 WeakPolarHBondContact O-CB 3.28Å; D54-A58 PolarHBondContact O-N 2.67Å
55M97.8Very high96.7Very high116 Ų11678.8 Ų78.857%0.57143%0.428SS*.Hα-helixtrans-61.4-43.4173.7-69.5-179.8-170.300111.9P51 D52 A58 G59P51-M55 HydrophobicContact CB-CB 3.78Å; D52-M55 PolarHBondContact O-N 3.06Å; D52-M55 WeakPolarHBondContact OD1-CB 3.42Å; D52-M55 VanDerWaalsContact OD1-CG 3.27Å; D52-M55 WeakPolarHBondContact OD1-CG 3.47Å; D52-M55 PolarHBondContact OD1-N 2.94Å; D52-M55 WeakPolarHBondContact OD2-CE 3.45Å; M55-A58 PolarHBondContact O-N 3.21Å; M55-G59 PolarHBondContact O-N 3.12Å
56S96.8Very high96.8Very high41 Ų4179.4 Ų79.429%0.28743%0.432SS..Hα-helixtrans-64.5-43.5179.1-59.70000111.5P51 D52 Q53 G59 A60P51-S56 WeakPolarHBondContact CG-OG 3.43Å; D52-S56 WeakPolarHBondContact O-CB 3.35Å; D52-S56 PolarHBondContact O-N 3.42Å; D52-S56 PolarHBondContact O-OG 2.87Å; Q53-S56 PolarHBondContact O-N 3.33Å; S56-G59 PolarHBondContact O-N 3.19Å; S56-A60 PolarHBondContact O-N 3.34Å
57E97.9Very high96.9Very high106 Ų10680.8 Ų80.850%0.49544%0.44SS..Hα-helixtrans-66.1-43.8178.3-174.3167.5-175.600111.7Q53 D54 G59 A60 Q61Q53-E57 WeakPolarHBondContact O-CB 3.47Å; Q53-E57 PolarHBondContact O-N 3.35Å; D54-E57 PolarHBondContact O-N 2.95Å; E57-G59 VanDerWaalsContact C-N 3.33Å; E57-G59 PolarHBondContact O-N 3.41Å; E57-A60 PolarHBondContact O-N 3.46Å; E57-Q61 WeakPolarHBondContact O-CG 3.49Å; E57-Q61 PolarHBondContact O-N 2.91Å
58A98.3Very high97.2Very high59 Ų5984 Ų8449%0.48845%0.451SS..Hα-helixtrans-59.4-43.7174.400000111.7D54 M55 Q61 L62D54-A58 WeakPolarHBondContact O-CB 3.28Å; D54-A58 PolarHBondContact O-N 2.67Å; M55-A58 PolarHBondContact O-N 3.21Å; A58-Q61 PolarHBondContact O-N 2.97Å; A58-L62 PolarHBondContact O-N 3.18Å
59G97.3Very high97.5Very high11 Ų1180.4 Ų80.411%0.11344%0.437CS..Hα-helixtrans-59.2-47.3174.500000112.3F42 M55 S56 E57 Q61 L62 K63F42-G59 WeakPolarHBondContact CE1-O 3.47Å; M55-G59 PolarHBondContact O-N 3.12Å; S56-G59 PolarHBondContact O-N 3.19Å; E57-G59 VanDerWaalsContact C-N 3.33Å; E57-G59 PolarHBondContact O-N 3.41Å; G59-Q61 VanDerWaalsContact C-N 3.34Å; G59-Q61 PolarHBondContact O-N 3.31Å; G59-L62 PolarHBondContact O-N 3.42Å; G59-K63 PolarHBondContact O-N 3.15Å
60A97.1Very high97.6Very high42 Ų4279.6 Ų79.635%0.34744%0.443SS..Hα-helixtrans-62.8-38.2178.500000112.7S56 E57 K63 K64S56-A60 PolarHBondContact O-N 3.34Å; E57-A60 PolarHBondContact O-N 3.46Å; A60-K63 PolarHBondContact O-N 3.24Å; A60-K64 WeakPolarHBondContact O-CG 3.36Å; A60-K64 PolarHBondContact O-N 2.93Å; A60-K64 VanDerWaalsContact O-N 3.1Å
61Q98.4Very high97.6Very high108 Ų10877.1 Ų77.151%0.50543%0.429SS..Hα-helixtrans-64.8-44.7174.4-70.3179.930.300111.7E57 A58 G59 K63 K64 L65E57-Q61 WeakPolarHBondContact O-CG 3.49Å; E57-Q61 PolarHBondContact O-N 2.91Å; A58-Q61 PolarHBondContact O-N 2.97Å; G59-Q61 VanDerWaalsContact C-N 3.34Å; G59-Q61 PolarHBondContact O-N 3.31Å; Q61-K63 VanDerWaalsContact C-N 3.33Å; Q61-K63 PolarHBondContact O-N 3.23Å; Q61-K64 PolarHBondContact O-N 3.1Å; Q61-L65 PolarHBondContact O-N 2.95Å
62L98.3Very high97.7Very high88 Ų8883.3 Ų83.346%0.46145%0.452SS..Hα-helixtrans-59-45.9175.5178.662.2000111.1L34 A58 G59 K64 L65 V66L34-L62 HydrophobicContact CD1-CD2 4.39Å; L34-L62 HydrophobicContact CD1-CG 4.19Å; L34-L62 HydrophobicContact CD2-CD2 3.87Å; L34-L62 HydrophobicContact CD2-CG 4.35Å; A58-L62 PolarHBondContact O-N 3.18Å; G59-L62 PolarHBondContact O-N 3.42Å; L62-K64 VanDerWaalsContact C-N 3.34Å; L62-K64 PolarHBondContact O-N 3.24Å; L62-L65 WeakPolarHBondContact O-CB 3.26Å; L62-L65 PolarHBondContact O-N 3.41Å; L62-L65 VanDerWaalsContact O-N 3.12Å; L62-V66 HydrophobicContact CD1-CG2 4.27Å; L62-V66 HydrophobicContact CG-CG2 4.43Å; L62-V66 WeakPolarHBondContact O-CG2 3.4Å; L62-V66 PolarHBondContact O-N 3.44Å
63K98.1Very high97.7Very high1 Ų181 Ų810%0.00445%0.445CS..Hα-helixtrans-58.2-44.9178.217955.1176158.50112.2S33 L34 D37 P39 F42 G59 A60 Q61 L65 V66 D67S33-K63 PolarHBondContact O-NZ 2.95Å; L34-K63 HydrophobicContact CD1-CB 4.05Å; L34-K63 HydrophobicContact CD1-CD 3.96Å; L34-K63 VanDerWaalsContact O-CD 3.29Å; L34-K63 WeakPolarHBondContact O-CD 3.04Å; L34-K63 PolarHBondContact O-NZ 3.35Å; D37-K63 VanDerWaalsContact O-CE 3.23Å; D37-K63 WeakPolarHBondContact O-CE 3.43Å; D37-K63 PolarHBondContact O-NZ 2.99Å; P39-K63 HydrophobicContact CB-CG 4.29Å; P39-K63 HydrophobicContact CG-CG 4.31Å; F42-K63 HydrophobicContact CB-CD 4.35Å; F42-K63 HydrophobicContact CB-CG 4.48Å; F42-K63 HydrophobicContact CD1-CB 3.71Å; F42-K63 HydrophobicContact CD1-CD 4.29Å; F42-K63 HydrophobicContact CD1-CG 3.88Å; F42-K63 HydrophobicContact CE1-CB 3.85Å; F42-K63 HydrophobicContact CG-CD 4.31Å; F42-K63 HydrophobicContact CG-CG 4.36Å; G59-K63 PolarHBondContact O-N 3.15Å; A60-K63 PolarHBondContact O-N 3.24Å; Q61-K63 VanDerWaalsContact C-N 3.33Å; Q61-K63 PolarHBondContact O-N 3.23Å; K63-L65 VanDerWaalsContact C-N 3.29Å; K63-L65 PolarHBondContact O-N 2.93Å; K63-V66 PolarHBondContact O-N 3.26Å; K63-D67 VanDerWaalsContact CE-OD1 3.27Å; K63-D67 WeakPolarHBondContact CE-OD1 3.39Å; K63-D67 VanDerWaalsContact CE-OD2 3.31Å; K63-D67 WeakPolarHBondContact CE-OD2 3.37Å; K63-D67 IonicContact NZ-OD1 2.67Å; K63-D67 PolarHBondContact NZ-OD1 3.46Å; K63-D67 IonicContact NZ-OD2 3.66Å; K63-D67 WeakPolarHBondContact O-CB 3.37Å; K63-D67 VanDerWaalsContact O-CG 3.29Å; K63-D67 PolarHBondContact O-N 3.42Å
64K97.6Very high97.7Very high146 Ų14676.4 Ų76.464%0.63542%0.421SS*.Hα-helixtrans-56.9-42.2175.5-73.5171.8-177.1173.20112.1A60 Q61 L62 D67 T68A60-K64 WeakPolarHBondContact O-CG 3.36Å; A60-K64 PolarHBondContact O-N 2.93Å; A60-K64 VanDerWaalsContact O-N 3.1Å; Q61-K64 PolarHBondContact O-N 3.1Å; L62-K64 VanDerWaalsContact C-N 3.34Å; L62-K64 PolarHBondContact O-N 3.24Å; K64-D67 PolarHBondContact O-N 3.26Å; K64-T68 WeakPolarHBondContact O-CG2 3.37Å; K64-T68 PolarHBondContact O-N 3.48Å
65L98.3Very high97.6Very high116 Ų11674 Ų7461%0.60741%0.408SS*.Hα-helixtrans-66.6-46.2177.5-67.7170.6000111.6Q61 L62 K63 D67 T68Q61-L65 PolarHBondContact O-N 2.95Å; L62-L65 WeakPolarHBondContact O-CB 3.26Å; L62-L65 PolarHBondContact O-N 3.41Å; L62-L65 VanDerWaalsContact O-N 3.12Å; K63-L65 VanDerWaalsContact C-N 3.29Å; K63-L65 PolarHBondContact O-N 2.93Å; L65-D67 PolarHBondContact O-N 2.82Å; L65-T68 PolarHBondContact O-N 3.45Å; L65-T68 VanDerWaalsContact O-N 3.12Å; L65-T68 PolarHBondContact O-OG1 3.13Å
66V97.9Very high97.6Very high18 Ų1871.5 Ų71.511%0.10940%0.402CS..Hα-helixtrans-60.9-36.7177.91740000111.1L34 L62 K63 T68 L69L34-V66 HydrophobicContact CD1-CB 4.39Å; L34-V66 HydrophobicContact CD1-CG2 4.11Å; L34-V66 HydrophobicContact CG-CG2 4.25Å; L34-V66 WeakPolarHBondContact O-CG1 3.37Å; L62-V66 HydrophobicContact CD1-CG2 4.27Å; L62-V66 HydrophobicContact CG-CG2 4.43Å; L62-V66 WeakPolarHBondContact O-CG2 3.4Å; L62-V66 PolarHBondContact O-N 3.44Å; K63-V66 PolarHBondContact O-N 3.26Å; V66-T68 PolarHBondContact O-N 3Å; V66-L69 VanDerWaalsContact O-CB 3.28Å; V66-L69 WeakPolarHBondContact O-CB 3.45Å; V66-L69 WeakPolarHBondContact O-CG 3.46Å; V66-L69 PolarHBondContact O-N 3.05Å
67D97.5Very high97.6Very high55 Ų5572 Ų7229%0.29440%0.401SS..Hα-helixtrans-66.8-21.4178.3-76.1-18.6000113.8K63 K64 L65 L69K63-D67 VanDerWaalsContact CE-OD1 3.27Å; K63-D67 WeakPolarHBondContact CE-OD1 3.39Å; K63-D67 VanDerWaalsContact CE-OD2 3.31Å; K63-D67 WeakPolarHBondContact CE-OD2 3.37Å; K63-D67 IonicContact NZ-OD1 2.67Å; K63-D67 PolarHBondContact NZ-OD1 3.46Å; K63-D67 IonicContact NZ-OD2 3.66Å; K63-D67 WeakPolarHBondContact O-CB 3.37Å; K63-D67 VanDerWaalsContact O-CG 3.29Å; K63-D67 PolarHBondContact O-N 3.42Å; K64-D67 PolarHBondContact O-N 3.26Å; L65-D67 PolarHBondContact O-N 2.82Å; D67-L69 PolarHBondContact O-N 3.16Å
68T97.9Very high97.4Very high110 Ų11068.1 Ų68.168%0.67538%0.383SS*.THydrogen-bonded Turntrans-74.6-15.1172.9700000113.5K64 L65 V66K64-T68 WeakPolarHBondContact O-CG2 3.37Å; K64-T68 PolarHBondContact O-N 3.48Å; L65-T68 PolarHBondContact O-N 3.45Å; L65-T68 VanDerWaalsContact O-N 3.12Å; L65-T68 PolarHBondContact O-OG1 3.13Å; V66-T68 PolarHBondContact O-N 3Å
69L98.1Very high97.3Very high62 Ų6272.2 Ų72.233%0.32539%0.39SS..SBendtrans-73.8144.1-178.9-59.4177.7000111.1V66 D67 A73 R74 I77V66-L69 VanDerWaalsContact O-CB 3.28Å; V66-L69 WeakPolarHBondContact O-CB 3.45Å; V66-L69 WeakPolarHBondContact O-CG 3.46Å; V66-L69 PolarHBondContact O-N 3.05Å; D67-L69 PolarHBondContact O-N 3.16Å; L69-A73 HydrophobicContact CB-CB 4.31Å; L69-R74 HydrophobicContact CB-CG 3.88Å; L69-I77 HydrophobicContact CD1-CD1 3.71Å
70P97.9Very high97.2Very high93 Ų9376.1 Ų76.160%0.60441%0.408SS*.  trans-57.2145.4171-2333000111.4K72 A73 R74P70-K72 VanDerWaalsContact C-N 3.26Å; P70-K72 PolarHBondContact O-N 3.14Å; P70-K72 VanDerWaalsContact O-N 3.13Å; P70-A73 WeakPolarHBondContact O-CA 3.21Å; P70-A73 VanDerWaalsContact O-CB 3.31Å; P70-A73 WeakPolarHBondContact O-CB 3.39Å; P70-A73 PolarHBondContact O-N 2.79Å; P70-R74 PolarHBondContact O-N 3.44Å
71A95.9Very high96.9Very high55 Ų5578 Ų7846%0.45541%0.411SS..Hα-helixtrans-49.6-45.3-178.800000113A73 R74 D75A71-A73 VanDerWaalsContact C-N 3.26Å; A71-A73 PolarHBondContact O-N 2.96Å; A71-R74 PolarHBondContact O-N 3.36Å; A71-R74 VanDerWaalsContact O-N 3.11Å; A71-D75 PolarHBondContact O-N 2.95Å
72K97.1Very high96.5Very high167 Ų16777.1 Ų77.173%0.72641%0.406SS*.Hα-helixtrans-57-36.6176.5-177.3-179.4178.7-176.90113.3P70 S76P70-K72 VanDerWaalsContact C-N 3.26Å; P70-K72 PolarHBondContact O-N 3.14Å; P70-K72 VanDerWaalsContact O-N 3.13Å; K72-S76 WeakPolarHBondContact O-CB 3.34Å; K72-S76 PolarHBondContact O-N 3.42Å; K72-S76 PolarHBondContact O-OG 2.94Å
73A98Very high96.3Very high34 Ų3480.5 Ų80.528%0.28142%0.417SS..Hα-helixtrans-69.4-44.2178.300000110.6L69 P70 A71 D75 S76 I77L69-A73 HydrophobicContact CB-CB 4.31Å; P70-A73 WeakPolarHBondContact O-CA 3.21Å; P70-A73 VanDerWaalsContact O-CB 3.31Å; P70-A73 WeakPolarHBondContact O-CB 3.39Å; P70-A73 PolarHBondContact O-N 2.79Å; A71-A73 VanDerWaalsContact C-N 3.26Å; A71-A73 PolarHBondContact O-N 2.96Å; A73-D75 PolarHBondContact O-N 2.93Å; A73-S76 WeakPolarHBondContact O-CB 3.43Å; A73-S76 PolarHBondContact O-N 2.85Å; A73-S76 VanDerWaalsContact O-N 3.17Å; A73-I77 WeakPolarHBondContact O-CG1 3.23Å; A73-I77 PolarHBondContact O-N 2.94Å
74R97.4Very high95.9Very high56 Ų5684.5 Ų84.521%0.21144%0.438CS..Hα-helixtrans-60.7-45.2175.9-54.2-175.7-42.6-146.54.6111.8C35 L69 P70 A71 S76 I77 I78C35-R74 HydrophobicContact CB-CB 4.49Å; C35-R74 VanDerWaalsContact O-CD 3.22Å; C35-R74 WeakPolarHBondContact O-CD 3.47Å; C35-R74 PolarHBondContact O-NE 3.49Å; C35-R74 VanDerWaalsContact O-NE 3.1Å; L69-R74 HydrophobicContact CB-CG 3.88Å; P70-R74 PolarHBondContact O-N 3.44Å; A71-R74 PolarHBondContact O-N 3.36Å; A71-R74 VanDerWaalsContact O-N 3.11Å; R74-S76 VanDerWaalsContact C-N 3.28Å; R74-S76 PolarHBondContact O-N 3.48Å; R74-I77 WeakPolarHBondContact O-CB 3.26Å; R74-I77 PolarHBondContact O-N 2.87Å; R74-I77 VanDerWaalsContact O-N 3.16Å; R74-I78 PolarHBondContact O-N 3.31Å; R74-I78 VanDerWaalsContact O-N 3.15Å
75D96.3Very high95.3Very high71 Ų7180 Ų8038%0.3842%0.421SS..Hα-helixtrans-60.8-38.2175.4-63.9-16.6000112.1A71 A73 I78 K79A71-D75 PolarHBondContact O-N 2.95Å; A73-D75 PolarHBondContact O-N 2.93Å; D75-I78 PolarHBondContact O-N 3.43Å; D75-K79 WeakPolarHBondContact O-CG 3.08Å; D75-K79 PolarHBondContact O-N 3.12Å; D75-K79 VanDerWaalsContact O-N 3.15Å
76S97.7Very high94.8Very high63 Ų6381.1 Ų81.144%0.44142%0.421SS..Hα-helixtrans-70-33.7178.5-58.60000111.9K72 A73 R74 L80K72-S76 WeakPolarHBondContact O-CB 3.34Å; K72-S76 PolarHBondContact O-N 3.42Å; K72-S76 PolarHBondContact O-OG 2.94Å; A73-S76 WeakPolarHBondContact O-CB 3.43Å; A73-S76 PolarHBondContact O-N 2.85Å; A73-S76 VanDerWaalsContact O-N 3.17Å; R74-S76 VanDerWaalsContact C-N 3.28Å; R74-S76 PolarHBondContact O-N 3.48Å; S76-L80 WeakPolarHBondContact O-CB 3.41Å; S76-L80 PolarHBondContact O-N 3.46Å
77I96.4Very high94.3Very high50 Ų5081.9 Ų81.926%0.25643%0.427SS..Hα-helixtrans-63.9-45.4174-70.3164000110.2L69 A73 R74 K79 L80 M81L69-I77 HydrophobicContact CD1-CD1 3.71Å; A73-I77 WeakPolarHBondContact O-CG1 3.23Å; A73-I77 PolarHBondContact O-N 2.94Å; R74-I77 WeakPolarHBondContact O-CB 3.26Å; R74-I77 PolarHBondContact O-N 2.87Å; R74-I77 VanDerWaalsContact O-N 3.16Å; I77-K79 PolarHBondContact O-N 3.39Å; I77-L80 WeakPolarHBondContact O-CA 3.27Å; I77-L80 WeakPolarHBondContact O-CB 3.44Å; I77-L80 PolarHBondContact O-N 3.3Å; I77-L80 VanDerWaalsContact O-N 3.12Å; I77-M81 HydrophobicContact CG2-CE 4.19Å; I77-M81 HydrophobicContact CG2-CG 4.45Å; I77-M81 WeakPolarHBondContact O-CG 3.3Å; I77-M81 PolarHBondContact O-N 3.45Å
78I94.7Very high93.7Very high25 Ų2586.7 Ų86.713%0.12845%0.452CS..Hα-helixtrans-61.3-47.4178.4-63.9168.9000111C35 L36 R74 D75 L80 M81 E82C35-I78 HydrophobicContact CB-CD1 3.63Å; C35-I78 HydrophobicContact CB-CG1 3.66Å; L36-I78 HydrophobicContact CD1-CD1 3.51Å; L36-I78 HydrophobicContact CD2-CD1 3.45Å; L36-I78 VanDerWaalsContact CD2-CD1 3.45Å; L36-I78 HydrophobicContact CG-CD1 3.3Å; R74-I78 PolarHBondContact O-N 3.31Å; R74-I78 VanDerWaalsContact O-N 3.15Å; D75-I78 PolarHBondContact O-N 3.43Å; I78-L80 PolarHBondContact O-N 2.88Å; I78-M81 PolarHBondContact O-N 3.48Å; I78-M81 VanDerWaalsContact O-N 3.08Å; I78-E82 PolarHBondContact O-N 2.58Å
79K94.9Very high93Very high145 Ų14589 Ų8963%0.6346%0.459SS*.Hα-helixtrans-59.8-34.8176-71.3173.9-177.4175.10112.4D75 I77 K83D75-K79 WeakPolarHBondContact O-CG 3.08Å; D75-K79 PolarHBondContact O-N 3.12Å; D75-K79 VanDerWaalsContact O-N 3.15Å; I77-K79 PolarHBondContact O-N 3.39Å; K79-K83 WeakPolarHBondContact O-CB 3.35Å; K79-K83 PolarHBondContact O-N 3.33Å
80L95.1Very high92Very high94 Ų9489 Ų8949%0.49246%0.464SS..Hα-helixtrans-66.1-46.9173.9175.963.3000111.1S76 I77 I78 E82 K83 I84S76-L80 WeakPolarHBondContact O-CB 3.41Å; S76-L80 PolarHBondContact O-N 3.46Å; I77-L80 WeakPolarHBondContact O-CA 3.27Å; I77-L80 WeakPolarHBondContact O-CB 3.44Å; I77-L80 PolarHBondContact O-N 3.3Å; I77-L80 VanDerWaalsContact O-N 3.12Å; I78-L80 PolarHBondContact O-N 2.88Å; L80-E82 PolarHBondContact O-N 2.93Å; L80-K83 WeakPolarHBondContact O-CB 3.33Å; L80-K83 PolarHBondContact O-N 2.85Å; L80-K83 VanDerWaalsContact O-N 3.15Å; L80-I84 HydrophobicContact CD1-CD1 4.21Å; L80-I84 HydrophobicContact CD1-CG1 4.48Å; L80-I84 HydrophobicContact CG-CD1 4.05Å; L80-I84 WeakPolarHBondContact O-CG1 3.31Å; L80-I84 PolarHBondContact O-N 3.22Å
81M92.4Very high90.2Very high82 Ų8290.8 Ų90.840%0.40447%0.468SS..Hα-helixtrans-61.2-44.3177.9-63.6-54.8-179.700111.7I31 I77 I78 K83 I84 D85I31-M81 HydrophobicContact CG2-CG 4.22Å; I77-M81 HydrophobicContact CG2-CE 4.19Å; I77-M81 HydrophobicContact CG2-CG 4.45Å; I77-M81 WeakPolarHBondContact O-CG 3.3Å; I77-M81 PolarHBondContact O-N 3.45Å; I78-M81 PolarHBondContact O-N 3.48Å; I78-M81 VanDerWaalsContact O-N 3.08Å; M81-K83 VanDerWaalsContact C-N 3.3Å; M81-K83 PolarHBondContact O-N 3.43Å; M81-I84 WeakPolarHBondContact O-CB 3.36Å; M81-I84 PolarHBondContact O-N 2.95Å; M81-I84 HydrophobicContact SD-CD1 4.33Å; M81-D85 WeakPolarHBondContact O-CB 3.35Å; M81-D85 PolarHBondContact O-N 3.48Å
82E89.9Confident89.9Confident88 Ų8892.6 Ų92.641%0.41147%0.469SS..Hα-helixtrans-60.9-37.5173.8-74.6-172.7-142.500112.9I78 L80 I84 K86I78-E82 PolarHBondContact O-N 2.58Å; L80-E82 PolarHBondContact O-N 2.93Å; E82-I84 VanDerWaalsContact C-N 3.31Å; E82-K86 WeakPolarHBondContact O-CB 3.4Å; E82-K86 VanDerWaalsContact O-CG 3.29Å; E82-K86 WeakPolarHBondContact O-CG 3.27Å; E82-K86 PolarHBondContact O-N 2.95Å; E82-K86 IonicContact OE2-NZ 2.89Å; E82-K86 PolarHBondContact OE2-NZ 3.09Å
83K92.8Very high89.6Confident159 Ų15988.7 Ų88.769%0.69146%0.455SS*.Hα-helixtrans-68.1-34.8177.8-172.5-174.5179.186.60111.4K79 L80 M81 S87K79-K83 WeakPolarHBondContact O-CB 3.35Å; K79-K83 PolarHBondContact O-N 3.33Å; L80-K83 WeakPolarHBondContact O-CB 3.33Å; L80-K83 PolarHBondContact O-N 2.85Å; L80-K83 VanDerWaalsContact O-N 3.15Å; M81-K83 VanDerWaalsContact C-N 3.3Å; M81-K83 PolarHBondContact O-N 3.43Å; K83-S87 PolarHBondContact O-N 3.41Å
84I90.4Very high89.1Confident85 Ų8591.7 Ų91.744%0.43647%0.465SS..Hα-helixtrans-68-50.8174.9-68.7163.1000109.6L80 M81 E82 K86 S87 C90L80-I84 HydrophobicContact CD1-CD1 4.21Å; L80-I84 HydrophobicContact CD1-CG1 4.48Å; L80-I84 HydrophobicContact CG-CD1 4.05Å; L80-I84 WeakPolarHBondContact O-CG1 3.31Å; L80-I84 PolarHBondContact O-N 3.22Å; M81-I84 WeakPolarHBondContact O-CB 3.36Å; M81-I84 PolarHBondContact O-N 2.95Å; M81-I84 HydrophobicContact SD-CD1 4.33Å; E82-I84 VanDerWaalsContact C-N 3.31Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 2.84Å; I84-S87 WeakPolarHBondContact O-CB 3.38Å; I84-S87 PolarHBondContact O-N 3.05Å; I84-C90 PolarHBondContact O-SG 2.79Å
85D85.7Confident88.6Confident52 Ų5293.8 Ų93.828%0.27848%0.48SS..Hα-helixtrans-54.7-47.4178175.463.1000112.2V23 M81 S87V23-D85 WeakPolarHBondContact CB-OD1 3.42Å; V23-D85 WeakPolarHBondContact CG2-OD1 3.29Å; M81-D85 WeakPolarHBondContact O-CB 3.35Å; M81-D85 PolarHBondContact O-N 3.48Å; D85-S87 PolarHBondContact O-N 3.47Å
86K86.3Confident88.1Confident139 Ų13995.3 Ų95.360%0.60449%0.486SS*.THydrogen-bonded Turntrans-78.64.5179.9-64.1167.7-175.4162.30113.9E82 I84E82-K86 WeakPolarHBondContact O-CB 3.4Å; E82-K86 VanDerWaalsContact O-CG 3.29Å; E82-K86 WeakPolarHBondContact O-CG 3.27Å; E82-K86 PolarHBondContact O-N 2.95Å; E82-K86 IonicContact OE2-NZ 2.89Å; E82-K86 PolarHBondContact OE2-NZ 3.09Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 2.84Å
87S88Confident87.5Confident35 Ų3597.4 Ų97.425%0.24549%0.489CS..SBendtrans-73.1146.4-179.1-176.30000111.6K83 I84 D85 L89 C90 N91K83-S87 PolarHBondContact O-N 3.41Å; I84-S87 WeakPolarHBondContact O-CB 3.38Å; I84-S87 PolarHBondContact O-N 3.05Å; D85-S87 PolarHBondContact O-N 3.47Å; S87-L89 PolarHBondContact O-N 3.05Å; S87-L89 PolarHBondContact OG-N 3.41Å; S87-C90 PolarHBondContact O-N 3.5Å; S87-N91 PolarHBondContact O-ND2 3.49Å
88L84.7Confident86.8Confident155 Ų155100.8 Ų100.881%0.81251%0.506SS*.THydrogen-bonded Turntrans-60.9-13.5169.7-65.1176.7000113.2
89L83.4Confident86.2Confident160 Ų160106.6 Ų106.684%0.83854%0.535SS*.THydrogen-bonded Turntrans-81.5-13.6175.3-57.4178.4000113.5S87S87-L89 PolarHBondContact O-N 3.05Å; S87-L89 PolarHBondContact OG-N 3.41Å
90C76.8Confident85.5Confident62 Ų62103.4 Ų103.442%0.41953%0.527SS..  trans-110.112.7178.6-67.20000112.2S20 I84 S87S20-C90 PolarHBondContact OG-O 2.92Å; I84-C90 PolarHBondContact O-SG 2.79Å; S87-C90 PolarHBondContact O-N 3.5Å
91N60.6Low84.6Confident130 Ų130104.3 Ų104.370%0.69553%0.53SS*.  trans-111.20177.2-71.5-65.9000112S20 S87S20-N91 VanDerWaalsContact CB-OXT 3.28Å; S20-N91 WeakPolarHBondContact CB-OXT 3.44Å; S87-N91 PolarHBondContact O-ND2 3.49Å

Retrieved 91 of 91 residues in 180.5 ms (Link to these results)