A0A5K4FFM7_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FFM7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 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
1M52Low86.6Confident189 Ų18975.5 Ų75.593%0.93138%0.378SS*.  075.20-163.9165.776.600108.2N3 I4M1-N3 PolarHBondContact O-N 3.35Å; M1-I4 HydrophobicContact CE-CB 3.87Å; M1-I4 HydrophobicContact CE-CG1 4.12Å; M1-I4 HydrophobicContact CE-CG2 3.75Å
2K60.6Low87.5Confident179 Ų17971.9 Ų71.978%0.77837%0.365SS*.Hα-helixtrans-62.7-26.7-167.6-75.4-176174.8-178.40114.2I4K2-I4 PolarHBondContact O-N 3.27Å
3N88Confident88.3Confident80 Ų8074.7 Ų74.743%0.42837%0.373SS..Hα-helixtrans-78.5-18.2-170.5-68.332.3000114.7M1 Y7 L74M1-N3 PolarHBondContact O-N 3.35Å; N3-Y7 WeakPolarHBondContact O-CB 3.38Å; N3-Y7 PolarHBondContact O-N 3.19Å; N3-L74 WeakPolarHBondContact CB-O 3.47Å; N3-L74 PolarHBondContact ND2-O 3.24Å
4I90Very high89Confident28 Ų2871.8 Ų71.814%0.14436%0.356CS..Hα-helixtrans-76.6-38.2-175.7-158.359000112M1 K2 Y7 I8 I75 V82 M85M1-I4 HydrophobicContact CE-CB 3.87Å; M1-I4 HydrophobicContact CE-CG1 4.12Å; M1-I4 HydrophobicContact CE-CG2 3.75Å; K2-I4 PolarHBondContact O-N 3.27Å; I4-Y7 HydrophobicContact CD1-CD1 4.33Å; I4-Y7 WeakPolarHBondContact O-CB 3.45Å; I4-Y7 PolarHBondContact O-N 3.08Å; I4-I8 HydrophobicContact CG1-CD1 4.25Å; I4-I8 VanDerWaalsContact O-CG1 3.25Å; I4-I8 WeakPolarHBondContact O-CG1 3.3Å; I4-I8 PolarHBondContact O-N 2.93Å; I4-I75 HydrophobicContact CD1-CG2 3.89Å; I4-V82 HydrophobicContact CD1-CG2 4.41Å; I4-M85 HydrophobicContact CD1-CE 3.69Å; I4-M85 HydrophobicContact CG1-CE 4.03Å
5D92.1Very high89.6Confident104 Ų10467.8 Ų67.856%0.55634%0.336SS*.Hα-helixtrans-67.8-39.6179.1-60.9-31.8000110.9I8 T9D5-I8 PolarHBondContact O-N 3.36Å; D5-T9 WeakPolarHBondContact O-CB 3.45Å; D5-T9 PolarHBondContact O-N 3.36Å; D5-T9 PolarHBondContact O-OG1 3.42Å
6E93.7Very high90Very high109 Ų10971.9 Ų71.951%0.50935%0.351SS..Hα-helixtrans-64-41.8172.8-67.3-179.4175.500111.2T9 C10 L74E6-T9 PolarHBondContact O-N 3.17Å; E6-C10 WeakPolarHBondContact O-CB 3.49Å; E6-C10 PolarHBondContact O-N 3.17Å; E6-L74 HydrophobicContact CB-CD1 4.11Å; E6-L74 HydrophobicContact CB-CD2 4.45Å
7Y94.2Very high90.4Very high0 Ų068.1 Ų68.10%033%0.333CS..Hα-helixtrans-60.6-50.3174.5176.3-93.8000112N3 I4 T9 C10 R11 C71 I75 V82 D86N3-Y7 WeakPolarHBondContact O-CB 3.38Å; N3-Y7 PolarHBondContact O-N 3.19Å; I4-Y7 HydrophobicContact CD1-CD1 4.33Å; I4-Y7 WeakPolarHBondContact O-CB 3.45Å; I4-Y7 PolarHBondContact O-N 3.08Å; Y7-T9 VanDerWaalsContact C-N 3.26Å; Y7-T9 PolarHBondContact O-N 3.43Å; Y7-C10 PolarHBondContact O-N 3.43Å; Y7-R11 HydrophobicContact CD1-CG 4.01Å; Y7-R11 HydrophobicContact CD2-CG 4.3Å; Y7-R11 HydrophobicContact CE1-CG 3.55Å; Y7-R11 HydrophobicContact CE2-CG 3.89Å; Y7-R11 HydrophobicContact CG-CG 4.37Å; Y7-R11 WeakPolarHBondContact O-CB 3.47Å; Y7-R11 WeakPolarHBondContact O-CG 3.17Å; Y7-R11 PolarHBondContact O-N 2.92Å; Y7-R11 PolarHBondContact OH-NE 3.17Å; Y7-R11 PolarHBondContact OH-NH2 3.02Å; Y7-C71 HydrophobicContact CD2-CB 4.26Å; Y7-C71 VanDerWaalsContact CD2-O 3.3Å; Y7-C71 WeakPolarHBondContact CD2-O 3.39Å; Y7-C71 HydrophobicContact CE2-CB 4.23Å; Y7-I75 HydrophobicContact CD1-CG2 4.43Å; Y7-I75 HydrophobicContact CD2-CB 4.37Å; Y7-I75 HydrophobicContact CD2-CD1 3.86Å; Y7-I75 HydrophobicContact CD2-CG1 3.63Å; Y7-I75 HydrophobicContact CD2-CG2 3.88Å; Y7-I75 HydrophobicContact CE1-CD1 4.34Å; Y7-I75 HydrophobicContact CE2-CD1 3.47Å; Y7-I75 VanDerWaalsContact CE2-CD1 3.47Å; Y7-I75 HydrophobicContact CE2-CG1 3.67Å; Y7-I75 HydrophobicContact CG-CD1 4.43Å; Y7-I75 HydrophobicContact CG-CG1 4.34Å; Y7-I75 HydrophobicContact CG-CG2 3.77Å; Y7-V82 HydrophobicContact CE1-CG1 3.77Å; Y7-V82 WeakPolarHBondContact OH-CG1 3.36Å; Y7-D86 VanDerWaalsContact OH-CG 3.32Å; Y7-D86 PolarHBondContact OH-OD1 3.14Å; Y7-D86 PolarHBondContact OH-OD2 3.26Å
8I94.4Very high90.8Very high53 Ų5368.2 Ų68.227%0.27233%0.332SS..Hα-helixtrans-58.3-43178-69.7164000109.9I4 D5 R11 S12 M85 I89I4-I8 HydrophobicContact CG1-CD1 4.25Å; I4-I8 VanDerWaalsContact O-CG1 3.25Å; I4-I8 WeakPolarHBondContact O-CG1 3.3Å; I4-I8 PolarHBondContact O-N 2.93Å; D5-I8 PolarHBondContact O-N 3.36Å; I8-R11 PolarHBondContact O-N 2.86Å; I8-S12 WeakPolarHBondContact O-CB 3.37Å; I8-S12 PolarHBondContact O-N 3.31Å; I8-S12 PolarHBondContact O-OG 3.48Å; I8-M85 HydrophobicContact CD1-SD 3.82Å; I8-M85 HydrophobicContact CG1-SD 4.08Å; I8-I89 HydrophobicContact CG2-CD1 4.31Å
9T95.9Very high91Very high74 Ų7466.9 Ų66.945%0.45432%0.323SS..Hα-helixtrans-62.5-47.6177.3-61.90000111.5D5 E6 Y7 S12 K13D5-T9 WeakPolarHBondContact O-CB 3.45Å; D5-T9 PolarHBondContact O-N 3.36Å; D5-T9 PolarHBondContact O-OG1 3.42Å; E6-T9 PolarHBondContact O-N 3.17Å; Y7-T9 VanDerWaalsContact C-N 3.26Å; Y7-T9 PolarHBondContact O-N 3.43Å; T9-S12 PolarHBondContact O-N 2.98Å; T9-K13 HydrophobicContact CG2-CD 4.43Å; T9-K13 WeakPolarHBondContact O-CG 3.33Å; T9-K13 PolarHBondContact O-N 3.34Å
10C96.3Very high91.1Very high9 Ų966 Ų666%0.06132%0.324CS..Hα-helixtrans-59.5-50.3177.6-173.90000111.2E6 Y7 S12 K13 Y14 C71 L74E6-C10 WeakPolarHBondContact O-CB 3.49Å; E6-C10 PolarHBondContact O-N 3.17Å; Y7-C10 PolarHBondContact O-N 3.43Å; C10-S12 VanDerWaalsContact C-N 3.35Å; C10-S12 PolarHBondContact O-N 3.24Å; C10-K13 PolarHBondContact O-N 3.24Å; C10-Y14 PolarHBondContact O-N 2.94Å; C10-C71 HydrophobicContact CB-CB 3.82Å; C10-C71 WeakPolarHBondContact CB-SG 3.45Å; C10-C71 WeakPolarHBondContact SG-CA 3.3Å; C10-C71 WeakPolarHBondContact SG-CB 3.42Å; C10-C71 CovalentContact SG-SG 2.04Å; C10-C71 PolarHBondContact SG-SG 3.4Å; C10-L74 HydrophobicContact CB-CD1 3.93Å
11R95.9Very high91.3Very high6 Ų664.6 Ų64.62%0.02332%0.318CS..Hα-helixtrans-60.9-42.5177.7-73.2-59.8-127.9-166.7-1.4112.9Y7 I8 Y14 F15 F68 C71 D86 I89Y7-R11 HydrophobicContact CD1-CG 4.01Å; Y7-R11 HydrophobicContact CD2-CG 4.3Å; Y7-R11 HydrophobicContact CE1-CG 3.55Å; Y7-R11 HydrophobicContact CE2-CG 3.89Å; Y7-R11 HydrophobicContact CG-CG 4.37Å; Y7-R11 WeakPolarHBondContact O-CB 3.47Å; Y7-R11 WeakPolarHBondContact O-CG 3.17Å; Y7-R11 PolarHBondContact O-N 2.92Å; Y7-R11 PolarHBondContact OH-NE 3.17Å; Y7-R11 PolarHBondContact OH-NH2 3.02Å; I8-R11 PolarHBondContact O-N 2.86Å; R11-Y14 PolarHBondContact O-N 2.84Å; R11-F15 VanDerWaalsContact O-CD2 3.29Å; R11-F15 WeakPolarHBondContact O-CD2 3.39Å; R11-F15 PolarHBondContact O-N 3.03Å; R11-F68 VanDerWaalsContact NH2-CE1 3.27Å; R11-C71 HydrophobicContact CG-CB 4.33Å; R11-D86 WeakPolarHBondContact CG-OD1 3.42Å; R11-D86 IonicContact CZ-OD1 3.72Å; R11-D86 IonicContact CZ-OD2 3.36Å; R11-D86 VanDerWaalsContact NE-CG 3.34Å; R11-D86 IonicContact NE-OD1 2.85Å; R11-D86 PolarHBondContact NE-OD1 3.2Å; R11-D86 IonicContact NE-OD2 3.24Å; R11-D86 PolarHBondContact NE-OD2 3.32Å; R11-D86 IonicContact NH2-OD1 3.82Å; R11-D86 IonicContact NH2-OD2 2.7Å; R11-D86 PolarHBondContact NH2-OD2 2.7Å; R11-I89 HydrophobicContact CB-CD1 3.92Å
12S97.5Very high93.3Very high32 Ų3257.7 Ų57.722%0.22428%0.283CS..Hα-helixtrans-62.9-44.6178.3-64.20000111.3I8 T9 C10 Y14 F15 K16 F93I8-S12 WeakPolarHBondContact O-CB 3.37Å; I8-S12 PolarHBondContact O-N 3.31Å; I8-S12 PolarHBondContact O-OG 3.48Å; T9-S12 PolarHBondContact O-N 2.98Å; C10-S12 VanDerWaalsContact C-N 3.35Å; C10-S12 PolarHBondContact O-N 3.24Å; S12-Y14 PolarHBondContact O-N 3.06Å; S12-F15 PolarHBondContact O-N 3Å; S12-K16 WeakPolarHBondContact O-CB 3.27Å; S12-K16 PolarHBondContact O-N 3.43Å; S12-F93 VanDerWaalsContact O-CE2 3.31Å; S12-F93 WeakPolarHBondContact O-CE2 3.43Å
13K97.8Very high94.8Very high108 Ų10849.8 Ų49.847%0.4725%0.25SC..Hα-helixtrans-59.4-46.6174.5-75.2176.6177.5-1790111.6T9 C10 A17 V62 N66T9-K13 HydrophobicContact CG2-CD 4.43Å; T9-K13 WeakPolarHBondContact O-CG 3.33Å; T9-K13 PolarHBondContact O-N 3.34Å; C10-K13 PolarHBondContact O-N 3.24Å; K13-A17 VanDerWaalsContact O-CB 3.3Å; K13-A17 WeakPolarHBondContact O-CB 3.4Å; K13-A17 PolarHBondContact O-N 2.85Å; K13-V62 HydrophobicContact CB-CG1 4.17Å; K13-N66 HydrophobicContact CB-CB 4.16Å; K13-N66 VanDerWaalsContact CD-OD1 3.28Å; K13-N66 WeakPolarHBondContact CD-OD1 3.43Å
14Y97.7Very high95Very high34 Ų3447.9 Ų47.913%0.13324%0.237CC..Hα-helixtrans-58.5-54.5177.3-179.9-85.8000112.3C10 R11 S12 K16 A17 K18 M63 N66 F68C10-Y14 PolarHBondContact O-N 2.94Å; R11-Y14 PolarHBondContact O-N 2.84Å; S12-Y14 PolarHBondContact O-N 3.06Å; Y14-K16 PolarHBondContact O-N 3.2Å; Y14-A17 PolarHBondContact O-N 2.84Å; Y14-K18 HydrophobicContact CE1-CB 4.18Å; Y14-K18 HydrophobicContact CE1-CD 3.82Å; Y14-K18 WeakPolarHBondContact O-CB 3.49Å; Y14-K18 PolarHBondContact O-N 3.2Å; Y14-M63 HydrophobicContact CD2-CB 4.17Å; Y14-M63 HydrophobicContact CD2-CG 4.33Å; Y14-M63 WeakPolarHBondContact CD2-O 3.49Å; Y14-M63 HydrophobicContact CE2-CB 4.06Å; Y14-M63 HydrophobicContact CE2-CE 4.23Å; Y14-M63 HydrophobicContact CE2-CG 4.26Å; Y14-N66 WeakPolarHBondContact CB-O 3.38Å; Y14-N66 VanDerWaalsContact CD2-O 3.27Å; Y14-N66 WeakPolarHBondContact CD2-O 3.36Å; Y14-F68 HydrophobicContact CD1-CD2 4.25Å; Y14-F68 AromaticContact CD1-CE2 3.67Å; Y14-F68 HydrophobicContact CD1-CE2 3.67Å; Y14-F68 HydrophobicContact CD2-CD2 4.4Å; Y14-F68 AromaticContact CE1-CD2 3.98Å; Y14-F68 HydrophobicContact CE1-CD2 3.98Å; Y14-F68 AromaticContact CE1-CE2 3.35Å; Y14-F68 HydrophobicContact CE1-CE2 3.35Å; Y14-F68 HydrophobicContact CE1-CZ 4.41Å; Y14-F68 HydrophobicContact CE2-CD2 4.08Å; Y14-F68 HydrophobicContact CE2-CE2 4.29Å; Y14-F68 HydrophobicContact CG-CD2 4.47Å; Y14-F68 HydrophobicContact CG-CE2 4.32Å; Y14-F68 AromaticContact CZ-CD2 3.84Å; Y14-F68 AromaticContact CZ-CE2 3.66Å
15F97.8Very high95.1Very high12 Ų1249 Ų495%0.05325%0.247CC..Hα-helixtrans-68.3-37.4-175.4-79.3-64.7000111.8R11 S12 A17 K18 R19 F68 I89 K90 F93R11-F15 VanDerWaalsContact O-CD2 3.29Å; R11-F15 WeakPolarHBondContact O-CD2 3.39Å; R11-F15 PolarHBondContact O-N 3.03Å; S12-F15 PolarHBondContact O-N 3Å; F15-A17 PolarHBondContact O-N 3.39Å; F15-K18 PolarHBondContact O-N 3.43Å; F15-R19 WeakPolarHBondContact O-CB 3.13Å; F15-R19 VanDerWaalsContact O-CG 3.22Å; F15-R19 WeakPolarHBondContact O-CG 3.24Å; F15-R19 PolarHBondContact O-N 3.42Å; F15-F68 HydrophobicContact CE1-CZ 4.46Å; F15-F68 HydrophobicContact CZ-CE2 4.38Å; F15-F68 AromaticContact CZ-CZ 3.89Å; F15-F68 HydrophobicContact CZ-CZ 3.89Å; F15-I89 HydrophobicContact CB-CG2 3.9Å; F15-I89 HydrophobicContact CD2-CB 4.36Å; F15-I89 HydrophobicContact CD2-CG2 3.64Å; F15-I89 HydrophobicContact CG-CG2 4.14Å; F15-K90 HydrophobicContact CD1-CB 4.19Å; F15-K90 HydrophobicContact CD1-CG 4.34Å; F15-K90 HydrophobicContact CE1-CB 4.03Å; F15-K90 HydrophobicContact CE1-CD 4.38Å; F15-K90 HydrophobicContact CE1-CG 4.1Å; F15-K90 HydrophobicContact CZ-CB 4.23Å; F15-F93 HydrophobicContact CB-CD2 3.79Å; F15-F93 HydrophobicContact CB-CE2 4.47Å
16K96.8Very high95.2Very high134 Ų13446.4 Ų46.458%0.58324%0.235SC*.Hα-helixtrans-56.1-50.9171.6-174.2176.3178.5178.80111.3S12 Y14 R19 S20 F93S12-K16 WeakPolarHBondContact O-CB 3.27Å; S12-K16 PolarHBondContact O-N 3.43Å; Y14-K16 PolarHBondContact O-N 3.2Å; K16-R19 PolarHBondContact O-N 2.9Å; K16-S20 WeakPolarHBondContact O-CB 3.41Å; K16-S20 PolarHBondContact O-N 3.34Å; K16-F93 HydrophobicContact CB-CD1 3.83Å; K16-F93 HydrophobicContact CB-CD2 4.35Å; K16-F93 HydrophobicContact CB-CE1 3.54Å; K16-F93 HydrophobicContact CB-CE2 4.06Å; K16-F93 HydrophobicContact CB-CG 4.25Å; K16-F93 HydrophobicContact CB-CZ 3.67Å; K16-F93 HydrophobicContact CD-CE1 3.95Å; K16-F93 HydrophobicContact CD-CZ 4.34Å; K16-F93 HydrophobicContact CG-CD1 4Å; K16-F93 HydrophobicContact CG-CE1 3.65Å; K16-F93 HydrophobicContact CG-CZ 4.2Å
17A96.8Very high95.1Very high6 Ų641.4 Ų41.45%0.0521%0.212CC..Hα-helixtrans-64.9-43.5-179.800000111.9K13 Y14 F15 R19 S20 N21 S59 V62 M63K13-A17 VanDerWaalsContact O-CB 3.3Å; K13-A17 WeakPolarHBondContact O-CB 3.4Å; K13-A17 PolarHBondContact O-N 2.85Å; Y14-A17 PolarHBondContact O-N 2.84Å; F15-A17 PolarHBondContact O-N 3.39Å; A17-R19 VanDerWaalsContact C-N 3.35Å; A17-R19 PolarHBondContact O-N 3.33Å; A17-S20 WeakPolarHBondContact O-CB 3.29Å; A17-S20 PolarHBondContact O-N 2.95Å; A17-N21 PolarHBondContact O-N 2.86Å; A17-S59 WeakPolarHBondContact CB-O 3.41Å; A17-S59 WeakPolarHBondContact O-CB 3.22Å; A17-V62 HydrophobicContact CB-CB 3.79Å; A17-V62 HydrophobicContact CB-CG1 3.62Å; A17-M63 HydrophobicContact CB-CG 3.7Å
18K96.6Very high95Very high70 Ų7043.9 Ų43.930%0.30422%0.223SC..Hα-helixtrans-56.3-48.4174.1179.5173.2177.5172.70111.8Y14 F15 N21 E22 M63Y14-K18 HydrophobicContact CE1-CB 4.18Å; Y14-K18 HydrophobicContact CE1-CD 3.82Å; Y14-K18 WeakPolarHBondContact O-CB 3.49Å; Y14-K18 PolarHBondContact O-N 3.2Å; F15-K18 PolarHBondContact O-N 3.43Å; K18-N21 PolarHBondContact O-N 3.09Å; K18-E22 WeakPolarHBondContact CE-OE1 3.43Å; K18-E22 WeakPolarHBondContact O-CG 3.27Å; K18-E22 PolarHBondContact O-N 2.04Å; K18-M63 VanDerWaalsContact CA-SD 3.56Å; K18-M63 HydrophobicContact CB-CE 4.13Å; K18-M63 HydrophobicContact CB-CG 4.43Å; K18-M63 HydrophobicContact CB-SD 4.03Å; K18-M63 HydrophobicContact CG-CE 4.31Å
19R95.3Very high94.9Very high45 Ų4546.4 Ų46.417%0.1724%0.237CC..Hα-helixtrans-68.2-36.2179.8-66.4-57.9-170.3-172.59.6112.6F15 K16 A17 E22 T23 K90 F93 K97F15-R19 WeakPolarHBondContact O-CB 3.13Å; F15-R19 VanDerWaalsContact O-CG 3.22Å; F15-R19 WeakPolarHBondContact O-CG 3.24Å; F15-R19 PolarHBondContact O-N 3.42Å; K16-R19 PolarHBondContact O-N 2.9Å; A17-R19 VanDerWaalsContact C-N 3.35Å; A17-R19 PolarHBondContact O-N 3.33Å; R19-E22 WeakPolarHBondContact CD-OE2 3.33Å; R19-E22 IonicContact CZ-OE2 3.81Å; R19-E22 IonicContact NH1-OE1 3.53Å; R19-E22 IonicContact NH1-OE2 2.79Å; R19-E22 PolarHBondContact NH1-OE2 3.19Å; R19-E22 PolarHBondContact O-N 2.84Å; R19-T23 VanDerWaalsContact O-CB 3.31Å; R19-T23 WeakPolarHBondContact O-CB 3.32Å; R19-T23 PolarHBondContact O-N 3.35Å; R19-T23 PolarHBondContact O-OG1 3.24Å; R19-K90 PolarHBondContact NH2-O 2.94Å; R19-F93 HydrophobicContact CB-CB 4.05Å; R19-F93 HydrophobicContact CG-CB 3.58Å; R19-F93 WeakPolarHBondContact CG-O 3.44Å; R19-K97 HydrophobicContact CB-CB 4.35Å
20S93.1Very high94.8Very high48 Ų4844.3 Ų44.334%0.33622%0.223SC..Hα-helixtrans-58.5-49.4171.3177.20000111.6K16 A17 E22 T23 W24 S59K16-S20 WeakPolarHBondContact O-CB 3.41Å; K16-S20 PolarHBondContact O-N 3.34Å; A17-S20 WeakPolarHBondContact O-CB 3.29Å; A17-S20 PolarHBondContact O-N 2.95Å; S20-E22 PolarHBondContact O-N 3.49Å; S20-T23 WeakPolarHBondContact O-CB 3.33Å; S20-T23 PolarHBondContact O-N 3.44Å; S20-W24 PolarHBondContact O-N 3.36Å; S20-S59 WeakPolarHBondContact CB-OG 3.41Å; S20-S59 PolarHBondContact OG-OG 2.82Å; S20-S59 VanDerWaalsContact OG-OG 3.05Å
21N94.3Very high94.6Very high37 Ų3745.5 Ų45.520%0.19823%0.226CC..Hα-helixtrans-64.7-39.4178.2-174.763.2000113A17 K18 S25A17-N21 PolarHBondContact O-N 2.86Å; K18-N21 PolarHBondContact O-N 3.09Å; N21-S25 PolarHBondContact O-N 3.2Å; N21-S25 VanDerWaalsContact O-N 3.15Å; N21-S25 PolarHBondContact O-OG 2.83Å
22E94.2Very high94.5Very high44 Ų4446.2 Ų46.221%0.20624%0.236CC..Hα-helixtrans-64.7-43.1172.7-73.1175.5-16600111.9K18 R19 S20 W24 S25 T26 K97K18-E22 WeakPolarHBondContact CE-OE1 3.43Å; K18-E22 WeakPolarHBondContact O-CG 3.27Å; K18-E22 PolarHBondContact O-N 2.04Å; R19-E22 WeakPolarHBondContact CD-OE2 3.33Å; R19-E22 IonicContact CZ-OE2 3.81Å; R19-E22 IonicContact NH1-OE1 3.53Å; R19-E22 IonicContact NH1-OE2 2.79Å; R19-E22 PolarHBondContact NH1-OE2 3.19Å; R19-E22 PolarHBondContact O-N 2.84Å; S20-E22 PolarHBondContact O-N 3.49Å; E22-W24 VanDerWaalsContact C-N 3.29Å; E22-W24 PolarHBondContact O-N 2.92Å; E22-S25 PolarHBondContact O-N 2.84Å; E22-T26 PolarHBondContact O-N 2.85Å; E22-T26 PolarHBondContact O-OG1 3.29Å; E22-T26 VanDerWaalsContact O-OG1 3.11Å; E22-K97 HydrophobicContact CB-CD 4.01Å; E22-K97 IonicContact OE2-NZ 2.9Å; E22-K97 PolarHBondContact OE2-NZ 2.86Å
23T92.7Very high94.4Very high12 Ų1248.8 Ų48.87%0.07425%0.247CC..Hα-helixtrans-57.8-45.6177.5-58.40000110.2R19 S20 S25 T26 I27 K97 N100R19-T23 VanDerWaalsContact O-CB 3.31Å; R19-T23 WeakPolarHBondContact O-CB 3.32Å; R19-T23 PolarHBondContact O-N 3.35Å; R19-T23 PolarHBondContact O-OG1 3.24Å; S20-T23 WeakPolarHBondContact O-CB 3.33Å; S20-T23 PolarHBondContact O-N 3.44Å; T23-S25 PolarHBondContact O-N 3.46Å; T23-T26 PolarHBondContact O-N 3.38Å; T23-I27 HydrophobicContact CG2-CD1 3.62Å; T23-I27 HydrophobicContact CG2-CG1 4.39Å; T23-I27 WeakPolarHBondContact O-CB 3.08Å; T23-I27 VanDerWaalsContact O-CG1 3.26Å; T23-I27 WeakPolarHBondContact O-CG1 3.33Å; T23-I27 PolarHBondContact O-N 2.89Å; T23-K97 WeakPolarHBondContact OG1-CB 3.09Å; T23-K97 WeakPolarHBondContact OG1-CG 3.4Å; T23-N100 HydrophobicContact CG2-CB 3.94Å
24W91.5Very high94.2Very high41 Ų4144.9 Ų44.916%0.15523%0.23CC..Hα-helixtrans-56.6-49.9174.6163.8-121000112.5S20 E22 T26 I27 Q28 L52 K53 A56S20-W24 PolarHBondContact O-N 3.36Å; E22-W24 VanDerWaalsContact C-N 3.29Å; E22-W24 PolarHBondContact O-N 2.92Å; W24-T26 VanDerWaalsContact C-N 3.35Å; W24-T26 PolarHBondContact O-N 3.32Å; W24-I27 PolarHBondContact O-N 2.73Å; W24-Q28 HydrophobicContact CD2-CG 3.74Å; W24-Q28 HydrophobicContact CE3-CG 3.67Å; W24-Q28 HydrophobicContact CH2-CG 3.65Å; W24-Q28 HydrophobicContact CZ2-CG 3.56Å; W24-Q28 HydrophobicContact CZ3-CG 3.62Å; W24-Q28 PolarHBondContact O-N 3.49Å; W24-L52 HydrophobicContact CD2-CB 4.1Å; W24-L52 HydrophobicContact CE3-CB 3.33Å; W24-L52 HydrophobicContact CE3-CD1 3.67Å; W24-L52 HydrophobicContact CE3-CD2 4.46Å; W24-L52 HydrophobicContact CE3-CG 4.02Å; W24-L52 HydrophobicContact CH2-CB 3.71Å; W24-L52 HydrophobicContact CZ3-CB 3.09Å; W24-L52 HydrophobicContact CZ3-CD1 3.41Å; W24-L52 VanDerWaalsContact CZ3-CD1 3.41Å; W24-L52 HydrophobicContact CZ3-CG 3.87Å; W24-K53 HydrophobicContact CZ2-CB 4.26Å; W24-A56 HydrophobicContact CB-CB 4.3Å; W24-A56 HydrophobicContact CG-CB 3.85Å
25S92.6Very high94Very high51 Ų5146.3 Ų46.336%0.35724%0.237SC..Hα-helixtrans-60.6-46-179.1-54.10000110.8N21 E22 T23 I27 Q28 D29N21-S25 PolarHBondContact O-N 3.2Å; N21-S25 VanDerWaalsContact O-N 3.15Å; N21-S25 PolarHBondContact O-OG 2.83Å; E22-S25 PolarHBondContact O-N 2.84Å; T23-S25 PolarHBondContact O-N 3.46Å; S25-I27 VanDerWaalsContact C-N 3.34Å; S25-I27 PolarHBondContact O-N 2.85Å; S25-Q28 WeakPolarHBondContact O-CB 3.35Å; S25-Q28 PolarHBondContact O-N 3.49Å; S25-D29 PolarHBondContact O-N 2.92Å
26T94Very high93.8Very high49 Ų4953.9 Ų53.930%0.30127%0.27SS..Hα-helixtrans-61.5-40.7176.6-58.50000112.6E22 T23 W24 D29 L30 T101E22-T26 PolarHBondContact O-N 2.85Å; E22-T26 PolarHBondContact O-OG1 3.29Å; E22-T26 VanDerWaalsContact O-OG1 3.11Å; T23-T26 PolarHBondContact O-N 3.38Å; W24-T26 VanDerWaalsContact C-N 3.35Å; W24-T26 PolarHBondContact O-N 3.32Å; T26-D29 PolarHBondContact O-N 3.48Å; T26-L30 WeakPolarHBondContact O-CB 3.41Å; T26-L30 PolarHBondContact O-N 2.96Å; T26-T101 HydrophobicContact CG2-CG2 3.63Å
27I92.2Very high93.7Very high5 Ų553.6 Ų53.63%0.02627%0.271CS..Hα-helixtrans-66.2-39.1177-76.4168.9000111.3T23 W24 S25 R31 Y44 L52 V104T23-I27 HydrophobicContact CG2-CD1 3.62Å; T23-I27 HydrophobicContact CG2-CG1 4.39Å; T23-I27 WeakPolarHBondContact O-CB 3.08Å; T23-I27 VanDerWaalsContact O-CG1 3.26Å; T23-I27 WeakPolarHBondContact O-CG1 3.33Å; T23-I27 PolarHBondContact O-N 2.89Å; W24-I27 PolarHBondContact O-N 2.73Å; S25-I27 VanDerWaalsContact C-N 3.34Å; S25-I27 PolarHBondContact O-N 2.85Å; I27-R31 WeakPolarHBondContact O-CB 3.29Å; I27-R31 PolarHBondContact O-N 3.5Å; I27-Y44 WeakPolarHBondContact CG2-OH 3.47Å; I27-Y44 PolarHBondContact O-OH 2.79Å; I27-L52 HydrophobicContact CG2-CD1 4.14Å; I27-V104 HydrophobicContact CD1-CB 4.34Å; I27-V104 HydrophobicContact CD1-CG2 3.83Å; I27-V104 HydrophobicContact CG1-CB 4.21Å; I27-V104 HydrophobicContact CG1-CG1 4.08Å; I27-V104 HydrophobicContact CG1-CG2 4.24Å; I27-V104 HydrophobicContact CG2-CG1 4.11Å
28Q91.1Very high93.6Very high52 Ų5256.1 Ų56.124%0.24328%0.281CS..Hα-helixtrans-62.5-46.9174.4-79.1-69.6-65.900111.7W24 S25 R31 G32W24-Q28 HydrophobicContact CD2-CG 3.74Å; W24-Q28 HydrophobicContact CE3-CG 3.67Å; W24-Q28 HydrophobicContact CH2-CG 3.65Å; W24-Q28 HydrophobicContact CZ2-CG 3.56Å; W24-Q28 HydrophobicContact CZ3-CG 3.62Å; W24-Q28 PolarHBondContact O-N 3.49Å; S25-Q28 WeakPolarHBondContact O-CB 3.35Å; S25-Q28 PolarHBondContact O-N 3.49Å; Q28-R31 PolarHBondContact O-N 3.5Å; Q28-G32 PolarHBondContact O-N 3.22Å
29D93.9Very high93.4Very high106 Ų10657.5 Ų57.557%0.56730%0.297SS*.Hα-helixtrans-62.7-45.1178.8-66.8-22.4000111S25 T26 R31 G32 N33S25-D29 PolarHBondContact O-N 2.92Å; T26-D29 PolarHBondContact O-N 3.48Å; D29-R31 PolarHBondContact O-N 2.91Å; D29-G32 PolarHBondContact O-N 2.99Å; D29-N33 WeakPolarHBondContact O-CB 3.25Å; D29-N33 VanDerWaalsContact O-CG 3.26Å; D29-N33 PolarHBondContact O-N 3.28Å; D29-N33 PolarHBondContact O-ND2 3.04Å
30L93.7Very high93.2Very high29 Ų2961.7 Ų61.715%0.15232%0.323CS..Hα-helixtrans-58.4-48.2177.8-176.966.1000111.4T26 N33 Y34 K105 F108T26-L30 WeakPolarHBondContact O-CB 3.41Å; T26-L30 PolarHBondContact O-N 2.96Å; L30-N33 PolarHBondContact O-N 3.46Å; L30-Y34 HydrophobicContact CD1-CD2 4.27Å; L30-Y34 HydrophobicContact CD1-CE1 4.15Å; L30-Y34 HydrophobicContact CD1-CE2 3.7Å; L30-Y34 HydrophobicContact CD2-CE2 4.31Å; L30-Y34 HydrophobicContact CG-CD2 4.17Å; L30-Y34 HydrophobicContact CG-CE2 3.89Å; L30-Y34 PolarHBondContact O-N 3.33Å; L30-K105 HydrophobicContact CD2-CB 3.78Å; L30-K105 HydrophobicContact CD2-CG 4.16Å; L30-F108 HydrophobicContact CD2-CD2 3.91Å; L30-F108 HydrophobicContact CD2-CE2 4.23Å; L30-F108 HydrophobicContact CG-CD2 4.06Å; L30-F108 HydrophobicContact CG-CE2 4.31Å
31R91.9Very high93.1Very high34 Ų3459.9 Ų59.913%0.12831%0.31CS..Hα-helixtrans-60.4-50.4175.9170.4178.6150.4-105-20.5111.2I27 Q28 D29 N33 Y34 E35 F43 Y44 F108I27-R31 WeakPolarHBondContact O-CB 3.29Å; I27-R31 PolarHBondContact O-N 3.5Å; Q28-R31 PolarHBondContact O-N 3.5Å; D29-R31 PolarHBondContact O-N 2.91Å; R31-N33 PolarHBondContact O-N 3.04Å; R31-Y34 CarbonylContact O-C 3.47Å; R31-Y34 PolarHBondContact O-N 3.36Å; R31-E35 HydrophobicContact CG-CG 3.86Å; R31-E35 IonicContact CZ-OE1 3.24Å; R31-E35 VanDerWaalsContact CZ-OE1 3.24Å; R31-E35 IonicContact CZ-OE2 3.42Å; R31-E35 IonicContact NE-OE1 2.68Å; R31-E35 PolarHBondContact NE-OE1 2.93Å; R31-E35 IonicContact NE-OE2 3.35Å; R31-E35 PolarHBondContact NE-OE2 2.84Å; R31-E35 IonicContact NH2-OE1 2.93Å; R31-E35 PolarHBondContact NH2-OE1 2.84Å; R31-E35 IonicContact NH2-OE2 2.99Å; R31-E35 PolarHBondContact NH2-OE2 3.4Å; R31-E35 WeakPolarHBondContact O-CB 3.17Å; R31-E35 WeakPolarHBondContact O-CG 3.2Å; R31-E35 PolarHBondContact O-N 3.28Å; R31-F43 HydrophobicContact CG-CB 4.19Å; R31-Y44 HydrophobicContact CB-CE2 4.46Å; R31-Y44 HydrophobicContact CG-CE2 4.23Å; R31-Y44 VanDerWaalsContact NE-CD2 3.32Å; R31-F108 HydrophobicContact CB-CE2 3.78Å; R31-F108 HydrophobicContact CB-CZ 4.08Å
32G92.6Very high92.7Very high22 Ų2263.9 Ų63.923%0.22733%0.331CS..Hα-helixtrans-58.7-33.9-177.800000112.2Q28 D29 K36Q28-G32 PolarHBondContact O-N 3.22Å; D29-G32 PolarHBondContact O-N 2.99Å; G32-K36 WeakPolarHBondContact O-CD 3.26Å; G32-K36 VanDerWaalsContact O-CG 3.26Å; G32-K36 WeakPolarHBondContact O-CG 3.28Å; G32-K36 PolarHBondContact O-N 3.28Å
33N95.3Very high92.4Very high85 Ų8562 Ų6246%0.45532%0.322SS..Hα-helixtrans-70.4-42.7174-70.1-25.6000112.6D29 L30 R31 Q37D29-N33 WeakPolarHBondContact O-CB 3.25Å; D29-N33 VanDerWaalsContact O-CG 3.26Å; D29-N33 PolarHBondContact O-N 3.28Å; D29-N33 PolarHBondContact O-ND2 3.04Å; L30-N33 PolarHBondContact O-N 3.46Å; R31-N33 PolarHBondContact O-N 3.04Å; N33-Q37 WeakPolarHBondContact O-CG 3.44Å; N33-Q37 PolarHBondContact O-N 3.47Å
34Y94.6Very high91.7Very high27 Ų2762.3 Ų62.311%0.10632%0.322CS..Hα-helixtrans-74.5-35.7178.7-69.2-17.9000113.6L30 R31 K36 Q37 F38 F43 F108 L109 I112L30-Y34 HydrophobicContact CD1-CD2 4.27Å; L30-Y34 HydrophobicContact CD1-CE1 4.15Å; L30-Y34 HydrophobicContact CD1-CE2 3.7Å; L30-Y34 HydrophobicContact CD2-CE2 4.31Å; L30-Y34 HydrophobicContact CG-CD2 4.17Å; L30-Y34 HydrophobicContact CG-CE2 3.89Å; L30-Y34 PolarHBondContact O-N 3.33Å; R31-Y34 CarbonylContact O-C 3.47Å; R31-Y34 PolarHBondContact O-N 3.36Å; Y34-K36 VanDerWaalsContact C-N 3.25Å; Y34-K36 PolarHBondContact O-N 3.49Å; Y34-Q37 PolarHBondContact O-N 2.91Å; Y34-Q37 VanDerWaalsContact O-N 3.14Å; Y34-F38 WeakPolarHBondContact O-CA 3.39Å; Y34-F38 PolarHBondContact O-N 3.48Å; Y34-F43 VanDerWaalsContact CB-CZ 3.47Å; Y34-F43 HydrophobicContact CD2-CE1 4.12Å; Y34-F43 HydrophobicContact CG-CE1 4.47Å; Y34-F43 HydrophobicContact CG-CZ 4.4Å; Y34-F108 HydrophobicContact CD2-CB 3.75Å; Y34-F108 AromaticContact CD2-CD2 3.74Å; Y34-F108 HydrophobicContact CD2-CD2 3.74Å; Y34-F108 HydrophobicContact CD2-CG 4.22Å; Y34-F108 HydrophobicContact CE2-CB 3.81Å; Y34-F108 HydrophobicContact CE2-CD2 4.1Å; Y34-L109 HydrophobicContact CE2-CD2 4.4Å; Y34-L109 HydrophobicContact CE2-CG 4.49Å; Y34-I112 HydrophobicContact CD2-CD1 4.1Å; Y34-I112 HydrophobicContact CE2-CD1 4.47Å; Y34-I112 HydrophobicContact CG-CD1 4.16Å
35E92.7Very high91Very high64 Ų6463.6 Ų63.630%0.29934%0.337SS..Hα-helixtrans-59.3-37.2173-77.6179.6156.800111.5R31 F38 P39 F43R31-E35 HydrophobicContact CG-CG 3.86Å; R31-E35 IonicContact CZ-OE1 3.24Å; R31-E35 VanDerWaalsContact CZ-OE1 3.24Å; R31-E35 IonicContact CZ-OE2 3.42Å; R31-E35 IonicContact NE-OE1 2.68Å; R31-E35 PolarHBondContact NE-OE1 2.93Å; R31-E35 IonicContact NE-OE2 3.35Å; R31-E35 PolarHBondContact NE-OE2 2.84Å; R31-E35 IonicContact NH2-OE1 2.93Å; R31-E35 PolarHBondContact NH2-OE1 2.84Å; R31-E35 IonicContact NH2-OE2 2.99Å; R31-E35 PolarHBondContact NH2-OE2 3.4Å; R31-E35 WeakPolarHBondContact O-CB 3.17Å; R31-E35 WeakPolarHBondContact O-CG 3.2Å; R31-E35 PolarHBondContact O-N 3.28Å; E35-F38 CarbonylContact O-C 3.57Å; E35-P39 VanDerWaalsContact O-CA 3.28Å; E35-P39 WeakPolarHBondContact O-CA 3.35Å; E35-F43 HydrophobicContact CG-CD2 3.6Å; E35-F43 HydrophobicContact CG-CE2 4.11Å
36K94.9Very high90.5Very high170 Ų17066 Ų6674%0.73935%0.354SS*.Hα-helixtrans-67.4-36.6175.5-72.8171.6-173.9176.80112.9G32 Y34G32-K36 WeakPolarHBondContact O-CD 3.26Å; G32-K36 VanDerWaalsContact O-CG 3.26Å; G32-K36 WeakPolarHBondContact O-CG 3.28Å; G32-K36 PolarHBondContact O-N 3.28Å; Y34-K36 VanDerWaalsContact C-N 3.25Å; Y34-K36 PolarHBondContact O-N 3.49Å
37Q94.8Very high89.9Confident128 Ų12871.4 Ų71.460%0.59837%0.373SS*.Hα-helixtrans-83.6-32.2-178.5-68.6178.342.700112.3N33 Y34N33-Q37 WeakPolarHBondContact O-CG 3.44Å; N33-Q37 PolarHBondContact O-N 3.47Å; Y34-Q37 PolarHBondContact O-N 2.91Å; Y34-Q37 VanDerWaalsContact O-N 3.14Å
38F93.7Very high89.4Confident60 Ų6076.7 Ų76.726%0.26339%0.393SS..  trans-133.268.6-173.6-52.5-77.6000110Y34 E35 N40 V41 F43 I112 M116Y34-F38 WeakPolarHBondContact O-CA 3.39Å; Y34-F38 PolarHBondContact O-N 3.48Å; E35-F38 CarbonylContact O-C 3.57Å; F38-N40 PolarHBondContact O-N 3.3Å; F38-N40 VanDerWaalsContact O-N 3.09Å; F38-V41 HydrophobicContact CB-CB 4.2Å; F38-V41 HydrophobicContact CB-CG2 3.72Å; F38-V41 PolarHBondContact O-N 3Å; F38-F43 HydrophobicContact CB-CZ 4.26Å; F38-I112 HydrophobicContact CB-CG1 4.29Å; F38-I112 HydrophobicContact CD1-CG2 3.78Å; F38-I112 HydrophobicContact CD2-CD1 3.54Å; F38-I112 HydrophobicContact CD2-CG1 3.84Å; F38-I112 HydrophobicContact CD2-CG2 4.21Å; F38-I112 HydrophobicContact CE1-CG2 3.72Å; F38-I112 HydrophobicContact CE2-CD1 3.74Å; F38-I112 HydrophobicContact CE2-CG1 4.34Å; F38-I112 HydrophobicContact CE2-CG2 4.17Å; F38-I112 HydrophobicContact CG-CD1 4.21Å; F38-I112 HydrophobicContact CG-CG1 3.98Å; F38-I112 HydrophobicContact CG-CG2 4.03Å; F38-I112 HydrophobicContact CZ-CG2 3.93Å; F38-M116 HydrophobicContact CE1-SD 4.25Å
39P91.8Very high89Confident99 Ų9979.4 Ų79.464%0.64340%0.404SS*.THydrogen-bonded Turntrans-63.1-20.1-17425.4-35.5000113.8E35 V41E35-P39 VanDerWaalsContact O-CA 3.28Å; E35-P39 WeakPolarHBondContact O-CA 3.35Å; P39-V41 VanDerWaalsContact C-N 3.3Å
40N90.9Very high88.8Confident132 Ų13277.8 Ų77.871%0.70640%0.398SS*.THydrogen-bonded Turntrans-83.4-4.3178.5-61.3-20000113.2F38 V115F38-N40 PolarHBondContact O-N 3.3Å; F38-N40 VanDerWaalsContact O-N 3.09Å; N40-V115 HydrophobicContact CB-CG1 4.47Å
41V91.1Very high88.5Confident10 Ų1078.6 Ų78.66%0.06141%0.406CS..  trans-97.8124.3-179.3-178.40000109.9F38 P39 F43 Q111 I112 V115F38-V41 HydrophobicContact CB-CB 4.2Å; F38-V41 HydrophobicContact CB-CG2 3.72Å; F38-V41 PolarHBondContact O-N 3Å; P39-V41 VanDerWaalsContact C-N 3.3Å; V41-F43 HydrophobicContact CB-CD2 4.33Å; V41-F43 HydrophobicContact CB-CE1 4.22Å; V41-F43 HydrophobicContact CB-CE2 3.66Å; V41-F43 HydrophobicContact CB-CZ 3.59Å; V41-F43 HydrophobicContact CG1-CD1 3.94Å; V41-F43 HydrophobicContact CG1-CD2 4.18Å; V41-F43 HydrophobicContact CG1-CE1 3.53Å; V41-F43 HydrophobicContact CG1-CE2 3.79Å; V41-F43 HydrophobicContact CG1-CG 4.26Å; V41-F43 HydrophobicContact CG1-CZ 3.43Å; V41-F43 VanDerWaalsContact CG1-CZ 3.43Å; V41-F43 HydrophobicContact CG2-CZ 4.35Å; V41-F43 WeakPolarHBondContact O-CD2 3.37Å; V41-F43 PolarHBondContact O-N 3.01Å; V41-Q111 HydrophobicContact CG1-CB 3.83Å; V41-I112 HydrophobicContact CG1-CG1 4.22Å; V41-I112 HydrophobicContact CG2-CG1 4.07Å; V41-V115 HydrophobicContact CG2-CB 4Å; V41-V115 HydrophobicContact CG2-CG1 4.35Å; V41-V115 HydrophobicContact CG2-CG2 3.89Å
42N87.7Confident88.2Confident121 Ų12178 Ų7865%0.64741%0.406SS*.  trans-9187.4177.1-176.521.9000112.1Y44 Q111N42-Y44 PolarHBondContact ND2-O 3.29Å; N42-Y44 PolarHBondContact O-N 3.38Å; N42-Y44 VanDerWaalsContact O-N 3.12Å; N42-Y44 PolarHBondContact OD1-N 2.98Å; N42-Y44 PolarHBondContact OD1-O 3.42Å; N42-Q111 PolarHBondContact O-OE1 3.45Å
43F86.9Confident87.9Confident4 Ų482.8 Ų82.82%0.01842%0.42CS..  trans-64-16.2-176.1-64.3-76.5000115.1R31 Y34 E35 F38 V41 F108 I112R31-F43 HydrophobicContact CG-CB 4.19Å; Y34-F43 VanDerWaalsContact CB-CZ 3.47Å; Y34-F43 HydrophobicContact CD2-CE1 4.12Å; Y34-F43 HydrophobicContact CG-CE1 4.47Å; Y34-F43 HydrophobicContact CG-CZ 4.4Å; E35-F43 HydrophobicContact CG-CD2 3.6Å; E35-F43 HydrophobicContact CG-CE2 4.11Å; F38-F43 HydrophobicContact CB-CZ 4.26Å; V41-F43 HydrophobicContact CB-CD2 4.33Å; V41-F43 HydrophobicContact CB-CE1 4.22Å; V41-F43 HydrophobicContact CB-CE2 3.66Å; V41-F43 HydrophobicContact CB-CZ 3.59Å; V41-F43 HydrophobicContact CG1-CD1 3.94Å; V41-F43 HydrophobicContact CG1-CD2 4.18Å; V41-F43 HydrophobicContact CG1-CE1 3.53Å; V41-F43 HydrophobicContact CG1-CE2 3.79Å; V41-F43 HydrophobicContact CG1-CG 4.26Å; V41-F43 HydrophobicContact CG1-CZ 3.43Å; V41-F43 VanDerWaalsContact CG1-CZ 3.43Å; V41-F43 HydrophobicContact CG2-CZ 4.35Å; V41-F43 WeakPolarHBondContact O-CD2 3.37Å; V41-F43 PolarHBondContact O-N 3.01Å; F43-F108 HydrophobicContact CB-CD1 4.13Å; F43-F108 HydrophobicContact CB-CE1 3.86Å; F43-F108 HydrophobicContact CB-CZ 4.1Å; F43-F108 HydrophobicContact CD1-CB 3.7Å; F43-F108 AromaticContact CD1-CD1 3.7Å; F43-F108 HydrophobicContact CD1-CD1 3.7Å; F43-F108 HydrophobicContact CD1-CD2 4.08Å; F43-F108 HydrophobicContact CD1-CE1 4.27Å; F43-F108 AromaticContact CD1-CG 3.56Å; F43-F108 HydrophobicContact CD1-CG 3.56Å; F43-F108 HydrophobicContact CE1-CB 3.85Å; F43-F108 HydrophobicContact CE1-CG 4.2Å; F43-F108 HydrophobicContact CG-CD1 4.38Å; F43-F108 HydrophobicContact CG-CG 4.44Å; F43-F108 WeakPolarHBondContact O-CE1 3.39Å; F43-I112 HydrophobicContact CE1-CD1 3.68Å; F43-I112 HydrophobicContact CE1-CG1 3.61Å; F43-I112 HydrophobicContact CZ-CD1 3.73Å; F43-I112 HydrophobicContact CZ-CG1 3.56Å
44Y78.3Confident87.8Confident20 Ų2084 Ų848%0.07842%0.423CS..  trans-138.3149.1-178-72.9-27.1000115.3I27 R31 N42 W48 K49 F108I27-Y44 WeakPolarHBondContact CG2-OH 3.47Å; I27-Y44 PolarHBondContact O-OH 2.79Å; R31-Y44 HydrophobicContact CB-CE2 4.46Å; R31-Y44 HydrophobicContact CG-CE2 4.23Å; R31-Y44 VanDerWaalsContact NE-CD2 3.32Å; N42-Y44 PolarHBondContact ND2-O 3.29Å; N42-Y44 PolarHBondContact O-N 3.38Å; N42-Y44 VanDerWaalsContact O-N 3.12Å; N42-Y44 PolarHBondContact OD1-N 2.98Å; N42-Y44 PolarHBondContact OD1-O 3.42Å; Y44-W48 AromaticContact CD1-CD1 3.1Å; Y44-W48 HydrophobicContact CD1-CG 4.06Å; Y44-W48 AromaticContact CD1-NE1 3.68Å; Y44-W48 AromaticContact CE1-CD1 3.19Å; Y44-W48 HydrophobicContact CE1-CG 4.42Å; Y44-W48 AromaticContact CE1-NE1 3.32Å; Y44-W48 VanDerWaalsContact CE1-NE1 3.32Å; Y44-W48 AromaticContact CG-CD1 3.88Å; Y44-W48 AromaticContact CZ-CD1 3.98Å; Y44-K49 HydrophobicContact CD2-CB 4.28Å; Y44-F108 HydrophobicContact CD1-CE1 4.19Å; Y44-F108 HydrophobicContact CD1-CZ 4.22Å; Y44-F108 AromaticContact CE1-CE1 3.76Å; Y44-F108 HydrophobicContact CE1-CE1 3.76Å; Y44-F108 AromaticContact CE1-CZ 3.43Å; Y44-F108 HydrophobicContact CE1-CZ 3.43Å; Y44-F108 VanDerWaalsContact CE1-CZ 3.43Å; Y44-F108 AromaticContact CZ-CZ 3.87Å
45S77.6Confident87.6Confident67 Ų6786.5 Ų86.547%0.46944%0.438SS..  trans-78.7150.1150.267.30000110.5K47 W48 K49S45-K47 PolarHBondContact O-N 2.9Å; S45-W48 WeakPolarHBondContact O-CB 3.21Å; S45-W48 PolarHBondContact O-N 3.41Å; S45-W48 WeakPolarHBondContact OG-CB 3.44Å; S45-W48 PolarHBondContact OG-N 2.94Å; S45-K49 PolarHBondContact O-N 3.44Å
46S80.6Confident87.6Confident102 Ų10283.8 Ų83.871%0.71343%0.427SS*.Hα-helixtrans-51.4-40.7171.153.10000112W48 K49 T50S46-W48 PolarHBondContact O-N 3.47Å; S46-K49 PolarHBondContact O-N 2.9Å; S46-T50 PolarHBondContact O-N 3.03Å; S46-T50 VanDerWaalsContact O-N 3.11Å; S46-T50 PolarHBondContact O-OG1 3.5Å
47K81.7Confident87.5Confident162 Ų16280.3 Ų80.370%0.70441%0.413SS*.Hα-helixtrans-57.3-45.9176.4-173.6175.3-178.91780112.3S45 K49 T50 S51S45-K47 PolarHBondContact O-N 2.9Å; K47-K49 PolarHBondContact O-N 2.93Å; K47-T50 PolarHBondContact O-N 3.36Å; K47-S51 PolarHBondContact O-N 3.19Å; K47-S51 PolarHBondContact O-OG 2.9Å
48W82.1Confident87.5Confident117 Ų11779.1 Ų79.144%0.44341%0.41SS..Hα-helixtrans-63.6-42-179.6-173.7-97.1000112.4Y44 S45 S46 T50 S51 L52Y44-W48 AromaticContact CD1-CD1 3.1Å; Y44-W48 HydrophobicContact CD1-CG 4.06Å; Y44-W48 AromaticContact CD1-NE1 3.68Å; Y44-W48 AromaticContact CE1-CD1 3.19Å; Y44-W48 HydrophobicContact CE1-CG 4.42Å; Y44-W48 AromaticContact CE1-NE1 3.32Å; Y44-W48 VanDerWaalsContact CE1-NE1 3.32Å; Y44-W48 AromaticContact CG-CD1 3.88Å; Y44-W48 AromaticContact CZ-CD1 3.98Å; S45-W48 WeakPolarHBondContact O-CB 3.21Å; S45-W48 PolarHBondContact O-N 3.41Å; S45-W48 WeakPolarHBondContact OG-CB 3.44Å; S45-W48 PolarHBondContact OG-N 2.94Å; S46-W48 PolarHBondContact O-N 3.47Å; W48-T50 PolarHBondContact O-N 3.14Å; W48-S51 PolarHBondContact O-N 3.2Å; W48-L52 HydrophobicContact CD2-CD1 4.47Å; W48-L52 HydrophobicContact CG-CD1 4.39Å; W48-L52 HydrophobicContact CZ2-CD1 4.3Å; W48-L52 HydrophobicContact CZ2-CD2 4.48Å; W48-L52 WeakPolarHBondContact O-CG 3.28Å; W48-L52 PolarHBondContact O-N 3.12Å
49K82.6Confident87.6Confident108 Ų10876.6 Ų76.647%0.4740%0.4SS..Hα-helixtrans-60.8-44.8175.9-176.6-179.1177.9-179.10111.8Y44 S45 S46 K47 K53Y44-K49 HydrophobicContact CD2-CB 4.28Å; S45-K49 PolarHBondContact O-N 3.44Å; S46-K49 PolarHBondContact O-N 2.9Å; K47-K49 PolarHBondContact O-N 2.93Å; K49-K53 PolarHBondContact O-N 3.08Å; K49-K53 VanDerWaalsContact O-N 3.14Å
50T88.5Confident87.9Confident73 Ų7377.8 Ų77.845%0.44840%0.395SS..Hα-helixtrans-63.2-51.5178.4-60.70000111.2S46 K47 W48 L52 K53 E54S46-T50 PolarHBondContact O-N 3.03Å; S46-T50 VanDerWaalsContact O-N 3.11Å; S46-T50 PolarHBondContact O-OG1 3.5Å; K47-T50 PolarHBondContact O-N 3.36Å; W48-T50 PolarHBondContact O-N 3.14Å; T50-L52 VanDerWaalsContact C-N 3.28Å; T50-L52 PolarHBondContact O-N 3.27Å; T50-K53 PolarHBondContact O-N 3.41Å; T50-K53 VanDerWaalsContact O-N 3.1Å; T50-E54 HydrophobicContact CG2-CG 4.39Å; T50-E54 WeakPolarHBondContact CG2-OE1 3.47Å; T50-E54 WeakPolarHBondContact O-CG 3.36Å; T50-E54 PolarHBondContact O-N 3.37Å
51S88.3Confident88.1Confident45 Ų4576.2 Ų76.232%0.31539%0.387SS..Hα-helixtrans-59.4-37.9-179.1-62.70000112.9K47 W48 N55K47-S51 PolarHBondContact O-N 3.19Å; K47-S51 PolarHBondContact O-OG 2.9Å; W48-S51 PolarHBondContact O-N 3.2Å; S51-N55 WeakPolarHBondContact O-CB 3.11Å; S51-N55 VanDerWaalsContact O-CG 3.24Å; S51-N55 PolarHBondContact O-N 2.95Å; S51-N55 PolarHBondContact O-ND2 3.15Å
52L84.7Confident88.5Confident23 Ų2377.5 Ų77.512%0.1240%0.395CS..Hα-helixtrans-71.1-36.1177.4-72.4178.7000113.1W24 I27 W48 T50 N55 A56W24-L52 HydrophobicContact CD2-CB 4.1Å; W24-L52 HydrophobicContact CE3-CB 3.33Å; W24-L52 HydrophobicContact CE3-CD1 3.67Å; W24-L52 HydrophobicContact CE3-CD2 4.46Å; W24-L52 HydrophobicContact CE3-CG 4.02Å; W24-L52 HydrophobicContact CH2-CB 3.71Å; W24-L52 HydrophobicContact CZ3-CB 3.09Å; W24-L52 HydrophobicContact CZ3-CD1 3.41Å; W24-L52 VanDerWaalsContact CZ3-CD1 3.41Å; W24-L52 HydrophobicContact CZ3-CG 3.87Å; I27-L52 HydrophobicContact CG2-CD1 4.14Å; W48-L52 HydrophobicContact CD2-CD1 4.47Å; W48-L52 HydrophobicContact CG-CD1 4.39Å; W48-L52 HydrophobicContact CZ2-CD1 4.3Å; W48-L52 HydrophobicContact CZ2-CD2 4.48Å; W48-L52 WeakPolarHBondContact O-CG 3.28Å; W48-L52 PolarHBondContact O-N 3.12Å; T50-L52 VanDerWaalsContact C-N 3.28Å; T50-L52 PolarHBondContact O-N 3.27Å; L52-N55 PolarHBondContact O-N 3.47Å; L52-A56 PolarHBondContact O-N 3.34Å
53K87.5Confident88.9Confident122 Ų12273.7 Ų73.753%0.5337%0.373SS..Hα-helixtrans-63.7-47.2173.8-176.6-176.5172-169.90111.2W24 K49 T50 N55 A56 E57W24-K53 HydrophobicContact CZ2-CB 4.26Å; K49-K53 PolarHBondContact O-N 3.08Å; K49-K53 VanDerWaalsContact O-N 3.14Å; T50-K53 PolarHBondContact O-N 3.41Å; T50-K53 VanDerWaalsContact O-N 3.1Å; K53-N55 VanDerWaalsContact C-N 3.32Å; K53-N55 PolarHBondContact O-N 3.45Å; K53-A56 WeakPolarHBondContact O-CB 3.3Å; K53-A56 PolarHBondContact O-N 2.94Å; K53-A56 VanDerWaalsContact O-N 3.15Å; K53-E57 WeakPolarHBondContact CE-OE1 3.46Å; K53-E57 IonicContact NZ-OE1 4Å; K53-E57 PolarHBondContact O-N 3Å
54E92.5Very high89.4Confident109 Ų10977.4 Ų77.451%0.50940%0.4SS..Hα-helixtrans-59.1-43.8176.4-70.7169.8170.600111.3T50 A56 E57 L58T50-E54 HydrophobicContact CG2-CG 4.39Å; T50-E54 WeakPolarHBondContact CG2-OE1 3.47Å; T50-E54 WeakPolarHBondContact O-CG 3.36Å; T50-E54 PolarHBondContact O-N 3.37Å; E54-A56 VanDerWaalsContact C-N 3.31Å; E54-A56 PolarHBondContact O-N 2.94Å; E54-E57 PolarHBondContact O-N 3.05Å; E54-L58 WeakPolarHBondContact O-CB 3.37Å; E54-L58 PolarHBondContact O-N 3.26Å
55N91.4Very high90.3Very high81 Ų8182.7 Ų82.743%0.43343%0.425SS..Hα-helixtrans-62.1-37175.9-79.5-20.5000112.7S51 L52 K53 S59S51-N55 WeakPolarHBondContact O-CB 3.11Å; S51-N55 VanDerWaalsContact O-CG 3.24Å; S51-N55 PolarHBondContact O-N 2.95Å; S51-N55 PolarHBondContact O-ND2 3.15Å; L52-N55 PolarHBondContact O-N 3.47Å; K53-N55 VanDerWaalsContact C-N 3.32Å; K53-N55 PolarHBondContact O-N 3.45Å; N55-S59 VanDerWaalsContact O-CB 3.27Å; N55-S59 WeakPolarHBondContact O-CB 3.38Å; N55-S59 PolarHBondContact O-N 3.4Å; N55-S59 PolarHBondContact O-OG 3.44Å
56A91.3Very high91.3Very high6 Ų680.4 Ų80.45%0.0541%0.408CS..Hα-helixtrans-68.2-41.3176.500000112W24 L52 K53 E54 S59 K60W24-A56 HydrophobicContact CB-CB 4.3Å; W24-A56 HydrophobicContact CG-CB 3.85Å; L52-A56 PolarHBondContact O-N 3.34Å; K53-A56 WeakPolarHBondContact O-CB 3.3Å; K53-A56 PolarHBondContact O-N 2.94Å; K53-A56 VanDerWaalsContact O-N 3.15Å; E54-A56 VanDerWaalsContact C-N 3.31Å; E54-A56 PolarHBondContact O-N 2.94Å; A56-S59 WeakPolarHBondContact O-CB 3.4Å; A56-S59 PolarHBondContact O-N 3.48Å; A56-K60 WeakPolarHBondContact O-CG 3.26Å; A56-K60 PolarHBondContact O-N 2.9Å; A56-K60 VanDerWaalsContact O-N 3.08Å
57E93Very high92Very high98 Ų9877 Ų7746%0.45838%0.384SS..Hα-helixtrans-64.1-47.3174.7-73.1173-171.900111.6K53 E54 S59 K60 N61K53-E57 WeakPolarHBondContact CE-OE1 3.46Å; K53-E57 IonicContact NZ-OE1 4Å; K53-E57 PolarHBondContact O-N 3Å; E54-E57 PolarHBondContact O-N 3.05Å; E57-S59 VanDerWaalsContact C-N 3.25Å; E57-S59 PolarHBondContact O-N 3.11Å; E57-K60 WeakPolarHBondContact O-CB 3.31Å; E57-K60 PolarHBondContact O-N 3.36Å; E57-K60 VanDerWaalsContact O-N 3.12Å; E57-N61 PolarHBondContact O-N 3.27Å
58L95.8Very high92.6Very high102 Ų10273.2 Ų73.253%0.53437%0.368SS..Hα-helixtrans-57.3-41.2173.1179.362.6000111.5E54 K60 N61 V62E54-L58 WeakPolarHBondContact O-CB 3.37Å; E54-L58 PolarHBondContact O-N 3.26Å; L58-K60 VanDerWaalsContact C-N 3.32Å; L58-K60 PolarHBondContact O-N 3.03Å; L58-N61 PolarHBondContact O-N 2.93Å; L58-V62 HydrophobicContact CD1-CG2 4.32Å; L58-V62 HydrophobicContact CG-CG2 4.42Å; L58-V62 WeakPolarHBondContact O-CG2 3.16Å; L58-V62 PolarHBondContact O-N 2.73Å
59S96.3Very high93.1Very high8 Ų876 Ų766%0.05638%0.383CS..Hα-helixtrans-61.9-39.5178.3-63.30000111.9A17 S20 N55 A56 E57 N61 V62 M63A17-S59 WeakPolarHBondContact CB-O 3.41Å; A17-S59 WeakPolarHBondContact O-CB 3.22Å; S20-S59 WeakPolarHBondContact CB-OG 3.41Å; S20-S59 PolarHBondContact OG-OG 2.82Å; S20-S59 VanDerWaalsContact OG-OG 3.05Å; N55-S59 VanDerWaalsContact O-CB 3.27Å; N55-S59 WeakPolarHBondContact O-CB 3.38Å; N55-S59 PolarHBondContact O-N 3.4Å; N55-S59 PolarHBondContact O-OG 3.44Å; A56-S59 WeakPolarHBondContact O-CB 3.4Å; A56-S59 PolarHBondContact O-N 3.48Å; E57-S59 VanDerWaalsContact C-N 3.25Å; E57-S59 PolarHBondContact O-N 3.11Å; S59-N61 PolarHBondContact O-N 3.48Å; S59-V62 PolarHBondContact O-N 2.65Å; S59-M63 WeakPolarHBondContact O-CB 3.29Å; S59-M63 WeakPolarHBondContact O-CG 3.38Å; S59-M63 PolarHBondContact O-N 3.46Å
60K96.2Very high93.7Very high124 Ų12474.3 Ų74.354%0.53938%0.379SS..Hα-helixtrans-62.3-42.8175-69.2172.9-176.5177.20111.8A56 E57 L58 M63 S64A56-K60 WeakPolarHBondContact O-CG 3.26Å; A56-K60 PolarHBondContact O-N 2.9Å; A56-K60 VanDerWaalsContact O-N 3.08Å; E57-K60 WeakPolarHBondContact O-CB 3.31Å; E57-K60 PolarHBondContact O-N 3.36Å; E57-K60 VanDerWaalsContact O-N 3.12Å; L58-K60 VanDerWaalsContact C-N 3.32Å; L58-K60 PolarHBondContact O-N 3.03Å; K60-M63 PolarHBondContact O-N 3.13Å; K60-S64 PolarHBondContact O-N 2.89Å
61N96.9Very high93.9Very high99 Ų9970.9 Ų70.953%0.52936%0.357SS..Hα-helixtrans-63.4-48.5177.8-67-12.4000111.2E57 L58 S59 M63 S64 E65E57-N61 PolarHBondContact O-N 3.27Å; L58-N61 PolarHBondContact O-N 2.93Å; S59-N61 PolarHBondContact O-N 3.48Å; N61-M63 VanDerWaalsContact C-N 3.3Å; N61-M63 PolarHBondContact O-N 3.36Å; N61-S64 WeakPolarHBondContact O-CB 3.47Å; N61-S64 PolarHBondContact O-N 3.44Å; N61-E65 WeakPolarHBondContact O-CG 3.46Å; N61-E65 PolarHBondContact O-N 3.31Å
62V97.9Very high94.1Very high37 Ų3771.1 Ų71.122%0.22436%0.355CS..Hα-helixtrans-59.5-40.4176.9174.30000111.5K13 A17 L58 S59 S64 E65 N66K13-V62 HydrophobicContact CB-CG1 4.17Å; A17-V62 HydrophobicContact CB-CB 3.79Å; A17-V62 HydrophobicContact CB-CG1 3.62Å; L58-V62 HydrophobicContact CD1-CG2 4.32Å; L58-V62 HydrophobicContact CG-CG2 4.42Å; L58-V62 WeakPolarHBondContact O-CG2 3.16Å; L58-V62 PolarHBondContact O-N 2.73Å; S59-V62 PolarHBondContact O-N 2.65Å; V62-S64 VanDerWaalsContact C-N 3.32Å; V62-S64 PolarHBondContact O-N 3.02Å; V62-E65 PolarHBondContact O-N 2.9Å; V62-N66 WeakPolarHBondContact O-CB 3.37Å; V62-N66 PolarHBondContact O-N 2.88Å; V62-N66 PolarHBondContact O-ND2 3.13Å
63M97.6Very high94.5Very high40 Ų4075.4 Ų75.420%0.19738%0.382CS..Hα-helixtrans-63.2-36.8175.4-73.9170.963.900112.7Y14 A17 K18 S59 K60 N61 N66 S67Y14-M63 HydrophobicContact CD2-CB 4.17Å; Y14-M63 HydrophobicContact CD2-CG 4.33Å; Y14-M63 WeakPolarHBondContact CD2-O 3.49Å; Y14-M63 HydrophobicContact CE2-CB 4.06Å; Y14-M63 HydrophobicContact CE2-CE 4.23Å; Y14-M63 HydrophobicContact CE2-CG 4.26Å; A17-M63 HydrophobicContact CB-CG 3.7Å; K18-M63 VanDerWaalsContact CA-SD 3.56Å; K18-M63 HydrophobicContact CB-CE 4.13Å; K18-M63 HydrophobicContact CB-CG 4.43Å; K18-M63 HydrophobicContact CB-SD 4.03Å; K18-M63 HydrophobicContact CG-CE 4.31Å; S59-M63 WeakPolarHBondContact O-CB 3.29Å; S59-M63 WeakPolarHBondContact O-CG 3.38Å; S59-M63 PolarHBondContact O-N 3.46Å; K60-M63 PolarHBondContact O-N 3.13Å; N61-M63 VanDerWaalsContact C-N 3.3Å; N61-M63 PolarHBondContact O-N 3.36Å; M63-N66 CarbonylContact O-C 3.6Å; M63-S67 VanDerWaalsContact O-CA 3.29Å; M63-S67 WeakPolarHBondContact O-CA 3.38Å; M63-S67 PolarHBondContact O-N 3.39Å; M63-S67 VanDerWaalsContact O-N 3.09Å
64S97.2Very high94.7Very high83 Ų8371.4 Ų71.458%0.5837%0.366SS*.Hα-helixtrans-67.6-50.2177.2-170.50000111K60 N61 V62 N66 S67 I70K60-S64 PolarHBondContact O-N 2.89Å; N61-S64 WeakPolarHBondContact O-CB 3.47Å; N61-S64 PolarHBondContact O-N 3.44Å; V62-S64 VanDerWaalsContact C-N 3.32Å; V62-S64 PolarHBondContact O-N 3.02Å; S64-N66 PolarHBondContact O-N 3.15Å; S64-S67 WeakPolarHBondContact O-CB 3.46Å; S64-S67 PolarHBondContact O-N 3.32Å; S64-I70 WeakPolarHBondContact O-CD1 3.43Å
65E97.3Very high94.5Very high131 Ų13167 Ų6761%0.61235%0.347SS*.Hα-helixtrans-64.7-25.8179.6-69.5174.4-179.600113.4N61 V62 I70N61-E65 WeakPolarHBondContact O-CG 3.46Å; N61-E65 PolarHBondContact O-N 3.31Å; V62-E65 PolarHBondContact O-N 2.9Å; E65-I70 VanDerWaalsContact O-CD1 3.24Å; E65-I70 WeakPolarHBondContact O-CD1 3.31Å
66N97.3Very high93.9Very high18 Ų1868 Ų6810%0.09636%0.357CS..THydrogen-bonded Turntrans-116.132.2179.6-57.8-97.1000110.6K13 Y14 V62 M63 S64 C71K13-N66 HydrophobicContact CB-CB 4.16Å; K13-N66 VanDerWaalsContact CD-OD1 3.28Å; K13-N66 WeakPolarHBondContact CD-OD1 3.43Å; Y14-N66 WeakPolarHBondContact CB-O 3.38Å; Y14-N66 VanDerWaalsContact CD2-O 3.27Å; Y14-N66 WeakPolarHBondContact CD2-O 3.36Å; V62-N66 WeakPolarHBondContact O-CB 3.37Å; V62-N66 PolarHBondContact O-N 2.88Å; V62-N66 PolarHBondContact O-ND2 3.13Å; M63-N66 CarbonylContact O-C 3.6Å; S64-N66 PolarHBondContact O-N 3.15Å; N66-C71 PolarHBondContact O-SG 3.27Å
67S96.2Very high93.4Very high31 Ų3176.4 Ų76.422%0.21739%0.389CS..  trans-58.7158.8-17768.90000112.1M63 S64 K69 I70 C71M63-S67 VanDerWaalsContact O-CA 3.29Å; M63-S67 WeakPolarHBondContact O-CA 3.38Å; M63-S67 PolarHBondContact O-N 3.39Å; M63-S67 VanDerWaalsContact O-N 3.09Å; S64-S67 WeakPolarHBondContact O-CB 3.46Å; S64-S67 PolarHBondContact O-N 3.32Å; S67-K69 PolarHBondContact O-N 2.9Å; S67-K69 VanDerWaalsContact O-N 3.17Å; S67-I70 PolarHBondContact O-N 3.45Å; S67-I70 WeakPolarHBondContact OG-CG1 3.33Å; S67-I70 PolarHBondContact OG-N 3.39Å; S67-C71 PolarHBondContact O-N 3.02Å; S67-C71 PolarHBondContact O-SG 2.65Å
68F93Very high92.9Very high82 Ų8276.5 Ų76.536%0.3639%0.39SS..Hα-helixtrans-52.1-40.1174.4-85.4-122.4000111.8R11 Y14 F15 I70 N72R11-F68 VanDerWaalsContact NH2-CE1 3.27Å; Y14-F68 HydrophobicContact CD1-CD2 4.25Å; Y14-F68 AromaticContact CD1-CE2 3.67Å; Y14-F68 HydrophobicContact CD1-CE2 3.67Å; Y14-F68 HydrophobicContact CD2-CD2 4.4Å; Y14-F68 AromaticContact CE1-CD2 3.98Å; Y14-F68 HydrophobicContact CE1-CD2 3.98Å; Y14-F68 AromaticContact CE1-CE2 3.35Å; Y14-F68 HydrophobicContact CE1-CE2 3.35Å; Y14-F68 HydrophobicContact CE1-CZ 4.41Å; Y14-F68 HydrophobicContact CE2-CD2 4.08Å; Y14-F68 HydrophobicContact CE2-CE2 4.29Å; Y14-F68 HydrophobicContact CG-CD2 4.47Å; Y14-F68 HydrophobicContact CG-CE2 4.32Å; Y14-F68 AromaticContact CZ-CD2 3.84Å; Y14-F68 AromaticContact CZ-CE2 3.66Å; F15-F68 HydrophobicContact CE1-CZ 4.46Å; F15-F68 HydrophobicContact CZ-CE2 4.38Å; F15-F68 AromaticContact CZ-CZ 3.89Å; F15-F68 HydrophobicContact CZ-CZ 3.89Å; F68-I70 VanDerWaalsContact C-N 3.35Å; F68-I70 PolarHBondContact O-N 2.94Å; F68-N72 WeakPolarHBondContact O-CB 3.27Å; F68-N72 PolarHBondContact O-N 3.44Å; F68-N72 PolarHBondContact O-ND2 2.98Å; F68-N72 PolarHBondContact O-OD1 3.21Å
69K93.7Very high92.6Very high175 Ų17574.8 Ų74.876%0.76138%0.383SS*.Hα-helixtrans-59.5-46177.1-174.9-178.6177.9-177.40111.2S67 T73S67-K69 PolarHBondContact O-N 2.9Å; S67-K69 VanDerWaalsContact O-N 3.17Å; K69-T73 WeakPolarHBondContact O-CG2 3.41Å
70I94.5Very high92.4Very high74 Ų7480.3 Ų80.338%0.37941%0.411SS..Hα-helixtrans-68.9-49.8179.4-66.6169000110.6S64 E65 S67 F68 N72 T73S64-I70 WeakPolarHBondContact O-CD1 3.43Å; E65-I70 VanDerWaalsContact O-CD1 3.24Å; E65-I70 WeakPolarHBondContact O-CD1 3.31Å; S67-I70 PolarHBondContact O-N 3.45Å; S67-I70 WeakPolarHBondContact OG-CG1 3.33Å; S67-I70 PolarHBondContact OG-N 3.39Å; F68-I70 VanDerWaalsContact C-N 3.35Å; F68-I70 PolarHBondContact O-N 2.94Å; I70-N72 VanDerWaalsContact C-N 3.29Å; I70-N72 PolarHBondContact O-N 3.48Å; I70-T73 PolarHBondContact O-N 3.23Å; I70-T73 VanDerWaalsContact O-N 3.17Å; I70-T73 PolarHBondContact O-OG1 3.43Å
71C93.9Very high92.1Very high0 Ų079.8 Ų79.80%041%0.414CS..Hα-helixtrans-62.3-39-179.1-54.70000111.7Y7 C10 R11 N66 S67 T73 L74Y7-C71 HydrophobicContact CD2-CB 4.26Å; Y7-C71 VanDerWaalsContact CD2-O 3.3Å; Y7-C71 WeakPolarHBondContact CD2-O 3.39Å; Y7-C71 HydrophobicContact CE2-CB 4.23Å; C10-C71 HydrophobicContact CB-CB 3.82Å; C10-C71 WeakPolarHBondContact CB-SG 3.45Å; C10-C71 WeakPolarHBondContact SG-CA 3.3Å; C10-C71 WeakPolarHBondContact SG-CB 3.42Å; C10-C71 CovalentContact SG-SG 2.04Å; C10-C71 PolarHBondContact SG-SG 3.4Å; R11-C71 HydrophobicContact CG-CB 4.33Å; N66-C71 PolarHBondContact O-SG 3.27Å; S67-C71 PolarHBondContact O-N 3.02Å; S67-C71 PolarHBondContact O-SG 2.65Å; C71-T73 PolarHBondContact O-N 2.98Å; C71-L74 VanDerWaalsContact O-CB 3.27Å; C71-L74 WeakPolarHBondContact O-CB 3.13Å; C71-L74 WeakPolarHBondContact O-CG 3.46Å; C71-L74 PolarHBondContact O-N 3.23Å
72N91.9Very high91.8Very high51 Ų5175.3 Ų75.327%0.27339%0.39SS..Hα-helixtrans-66.1-18.4-179.4-71.2-11.7000113.6F68 I70 L74F68-N72 WeakPolarHBondContact O-CB 3.27Å; F68-N72 PolarHBondContact O-N 3.44Å; F68-N72 PolarHBondContact O-ND2 2.98Å; F68-N72 PolarHBondContact O-OD1 3.21Å; I70-N72 VanDerWaalsContact C-N 3.29Å; I70-N72 PolarHBondContact O-N 3.48Å; N72-L74 PolarHBondContact O-N 3.19Å
73T92.7Very high91.6Very high112 Ų11280.4 Ų80.469%0.68741%0.406SS*.THydrogen-bonded Turntrans-71.9-14.6173.367.70000112.6K69 I70 C71K69-T73 WeakPolarHBondContact O-CG2 3.41Å; I70-T73 PolarHBondContact O-N 3.23Å; I70-T73 VanDerWaalsContact O-N 3.17Å; I70-T73 PolarHBondContact O-OG1 3.43Å; C71-T73 PolarHBondContact O-N 2.98Å
74L91.9Very high91.4Very high38 Ų3882.3 Ų82.320%0.19942%0.416CS..THydrogen-bonded Turntrans-78.9-34.4-178.8-58.7170.2000110.9N3 E6 C10 C71 N72N3-L74 WeakPolarHBondContact CB-O 3.47Å; N3-L74 PolarHBondContact ND2-O 3.24Å; E6-L74 HydrophobicContact CB-CD1 4.11Å; E6-L74 HydrophobicContact CB-CD2 4.45Å; C10-L74 HydrophobicContact CB-CD1 3.93Å; C71-L74 VanDerWaalsContact O-CB 3.27Å; C71-L74 WeakPolarHBondContact O-CB 3.13Å; C71-L74 WeakPolarHBondContact O-CG 3.46Å; C71-L74 PolarHBondContact O-N 3.23Å; N72-L74 PolarHBondContact O-N 3.19Å
75I88.1Confident91.2Very high18 Ų1880.8 Ų80.89%0.09240%0.4CS..  trans-108.8139.7-179.253160.4000111.5I4 Y7 V82I4-I75 HydrophobicContact CD1-CG2 3.89Å; Y7-I75 HydrophobicContact CD1-CG2 4.43Å; Y7-I75 HydrophobicContact CD2-CB 4.37Å; Y7-I75 HydrophobicContact CD2-CD1 3.86Å; Y7-I75 HydrophobicContact CD2-CG1 3.63Å; Y7-I75 HydrophobicContact CD2-CG2 3.88Å; Y7-I75 HydrophobicContact CE1-CD1 4.34Å; Y7-I75 HydrophobicContact CE2-CD1 3.47Å; Y7-I75 VanDerWaalsContact CE2-CD1 3.47Å; Y7-I75 HydrophobicContact CE2-CG1 3.67Å; Y7-I75 HydrophobicContact CG-CD1 4.43Å; Y7-I75 HydrophobicContact CG-CG1 4.34Å; Y7-I75 HydrophobicContact CG-CG2 3.77Å; I75-V82 HydrophobicContact CD1-CB 4.33Å; I75-V82 HydrophobicContact CD1-CG1 3.46Å; I75-V82 VanDerWaalsContact CD1-CG1 3.46Å; I75-V82 HydrophobicContact CD1-CG2 3.95Å
76P79.9Confident91.1Very high102 Ų10275.5 Ų75.566%0.66238%0.376SS*.SBendtrans-74.5-27.4-178.729-34.5000113
77Y80.2Confident91Very high182 Ų18280.1 Ų80.171%0.71440%0.397SS*.  trans-146142.5-174.4-49.5-72.5000112.2T79Y77-T79 PolarHBondContact O-N 2.94Å
78Q81.5Confident91Very high100 Ų10084.2 Ų84.247%0.46741%0.413SS..  trans-83.682.8170.7-71.6-175.9-3.400110.5
79T89.8Confident91.2Very high65 Ų6581.1 Ų81.140%0.39940%0.4SS..  trans-70.3168.417367.10000111.3Y77 D81 V82 R83Y77-T79 PolarHBondContact O-N 2.94Å; T79-D81 VanDerWaalsContact C-N 3.26Å; T79-D81 PolarHBondContact O-N 3.45Å; T79-V82 PolarHBondContact O-N 2.97Å; T79-V82 WeakPolarHBondContact OG1-CG2 3.48Å; T79-V82 PolarHBondContact OG1-N 2.93Å; T79-R83 PolarHBondContact O-N 2.91Å
80I92.2Very high91.3Very high124 Ų12477.9 Ų77.964%0.63639%0.386SS*.Hα-helixtrans-57.8-42.6172.6-65.7172000110.2V82 R83 L84I80-V82 VanDerWaalsContact C-N 3.32Å; I80-V82 PolarHBondContact O-N 3.26Å; I80-R83 WeakPolarHBondContact O-CB 3.33Å; I80-R83 PolarHBondContact O-N 3.42Å; I80-R83 VanDerWaalsContact O-N 3.08Å; I80-L84 HydrophobicContact CG2-CD1 4Å; I80-L84 HydrophobicContact CG2-CG 4.31Å; I80-L84 WeakPolarHBondContact O-CG 3.43Å; I80-L84 PolarHBondContact O-N 2.82Å
81D90.5Very high91.4Very high113 Ų11379.2 Ų79.260%0.60439%0.392SS*.Hα-helixtrans-60-41.3178.5-56.3-36.5000112.3T79 R83 L84 M85T79-D81 VanDerWaalsContact C-N 3.26Å; T79-D81 PolarHBondContact O-N 3.45Å; D81-R83 VanDerWaalsContact C-N 3.31Å; D81-R83 PolarHBondContact O-N 3.12Å; D81-L84 PolarHBondContact O-N 3.46Å; D81-M85 WeakPolarHBondContact O-CG 3.26Å; D81-M85 PolarHBondContact O-N 3.49Å
82V91.2Very high91.5Very high6 Ų683.9 Ų83.94%0.03642%0.417CS..Hα-helixtrans-60.5-42.1175.2169.10000111.3I4 Y7 I75 T79 I80 M85 D86I4-V82 HydrophobicContact CD1-CG2 4.41Å; Y7-V82 HydrophobicContact CE1-CG1 3.77Å; Y7-V82 WeakPolarHBondContact OH-CG1 3.36Å; I75-V82 HydrophobicContact CD1-CB 4.33Å; I75-V82 HydrophobicContact CD1-CG1 3.46Å; I75-V82 VanDerWaalsContact CD1-CG1 3.46Å; I75-V82 HydrophobicContact CD1-CG2 3.95Å; T79-V82 PolarHBondContact O-N 2.97Å; T79-V82 WeakPolarHBondContact OG1-CG2 3.48Å; T79-V82 PolarHBondContact OG1-N 2.93Å; I80-V82 VanDerWaalsContact C-N 3.32Å; I80-V82 PolarHBondContact O-N 3.26Å; V82-M85 HydrophobicContact CB-CE 4.47Å; V82-M85 HydrophobicContact CG2-CE 4.13Å; V82-M85 PolarHBondContact O-N 3.4Å; V82-D86 PolarHBondContact O-N 3.34Å
83R92.1Very high91.7Very high144 Ų14483.1 Ų83.154%0.54341%0.411SS..Hα-helixtrans-66.2-44.2178-67.4177.7179.5178.70.6111.6T79 I80 D81 M85 D86 E87T79-R83 PolarHBondContact O-N 2.91Å; I80-R83 WeakPolarHBondContact O-CB 3.33Å; I80-R83 PolarHBondContact O-N 3.42Å; I80-R83 VanDerWaalsContact O-N 3.08Å; D81-R83 VanDerWaalsContact C-N 3.31Å; D81-R83 PolarHBondContact O-N 3.12Å; R83-M85 VanDerWaalsContact C-N 3.31Å; R83-M85 PolarHBondContact O-N 3.29Å; R83-D86 WeakPolarHBondContact O-CB 3.34Å; R83-D86 PolarHBondContact O-N 2.92Å; R83-E87 WeakPolarHBondContact O-CG 3.39Å; R83-E87 PolarHBondContact O-N 2.97Å
84L94.8Very high91.8Very high79 Ų7978.3 Ų78.341%0.41438%0.383SS..Hα-helixtrans-61.7-39.4176.3-69.7174.2000111.7I80 D81 E87 H88I80-L84 HydrophobicContact CG2-CD1 4Å; I80-L84 HydrophobicContact CG2-CG 4.31Å; I80-L84 WeakPolarHBondContact O-CG 3.43Å; I80-L84 PolarHBondContact O-N 2.82Å; D81-L84 PolarHBondContact O-N 3.46Å; L84-E87 PolarHBondContact O-N 2.99Å; L84-H88 PolarHBondContact O-N 2.99Å
85M93Very high92Very high52 Ų5282.1 Ų82.126%0.25640%0.398SS..Hα-helixtrans-62.8-45.1173.2-73.7-169.5-62.600112.3I4 I8 D81 V82 R83 E87 H88 I89I4-M85 HydrophobicContact CD1-CE 3.69Å; I4-M85 HydrophobicContact CG1-CE 4.03Å; I8-M85 HydrophobicContact CD1-SD 3.82Å; I8-M85 HydrophobicContact CG1-SD 4.08Å; D81-M85 WeakPolarHBondContact O-CG 3.26Å; D81-M85 PolarHBondContact O-N 3.49Å; V82-M85 HydrophobicContact CB-CE 4.47Å; V82-M85 HydrophobicContact CG2-CE 4.13Å; V82-M85 PolarHBondContact O-N 3.4Å; R83-M85 VanDerWaalsContact C-N 3.31Å; R83-M85 PolarHBondContact O-N 3.29Å; M85-E87 VanDerWaalsContact C-N 3.27Å; M85-E87 PolarHBondContact O-N 3.46Å; M85-H88 PolarHBondContact O-N 3.35Å; M85-I89 VanDerWaalsContact O-CG1 3.26Å; M85-I89 WeakPolarHBondContact O-CG1 3.47Å; M85-I89 PolarHBondContact O-N 3.39Å
86D94.5Very high92.2Very high20 Ų2085.3 Ų85.311%0.10742%0.415CS..Hα-helixtrans-59.9-39.4176-75.3-21000111.7Y7 R11 V82 R83 I89 K90Y7-D86 VanDerWaalsContact OH-CG 3.32Å; Y7-D86 PolarHBondContact OH-OD1 3.14Å; Y7-D86 PolarHBondContact OH-OD2 3.26Å; R11-D86 WeakPolarHBondContact CG-OD1 3.42Å; R11-D86 IonicContact CZ-OD1 3.72Å; R11-D86 IonicContact CZ-OD2 3.36Å; R11-D86 VanDerWaalsContact NE-CG 3.34Å; R11-D86 IonicContact NE-OD1 2.85Å; R11-D86 PolarHBondContact NE-OD1 3.2Å; R11-D86 IonicContact NE-OD2 3.24Å; R11-D86 PolarHBondContact NE-OD2 3.32Å; R11-D86 IonicContact NH2-OD1 3.82Å; R11-D86 IonicContact NH2-OD2 2.7Å; R11-D86 PolarHBondContact NH2-OD2 2.7Å; V82-D86 PolarHBondContact O-N 3.34Å; R83-D86 WeakPolarHBondContact O-CB 3.34Å; R83-D86 PolarHBondContact O-N 2.92Å; D86-I89 PolarHBondContact O-N 3.1Å; D86-K90 WeakPolarHBondContact O-CB 3.26Å; D86-K90 PolarHBondContact O-N 3.49Å
87E96.1Very high92.9Very high114 Ų11482.6 Ų82.653%0.53339%0.393SS..Hα-helixtrans-64.4-46.4175.8-74.1177.5174.500112R83 L84 M85 I89 K90 M91R83-E87 WeakPolarHBondContact O-CG 3.39Å; R83-E87 PolarHBondContact O-N 2.97Å; L84-E87 PolarHBondContact O-N 2.99Å; M85-E87 VanDerWaalsContact C-N 3.27Å; M85-E87 PolarHBondContact O-N 3.46Å; E87-I89 PolarHBondContact O-N 3.41Å; E87-K90 PolarHBondContact O-N 3.06Å; E87-M91 VanDerWaalsContact O-CB 3.28Å; E87-M91 WeakPolarHBondContact O-CB 3.45Å; E87-M91 PolarHBondContact O-N 3.14Å
88H96.5Very high93.7Very high118 Ų11880.1 Ų80.155%0.54639%0.387SS..Hα-helixtrans-60.3-45175.1-73.4177.1000111.9L84 M85 K90 M91 N92L84-H88 PolarHBondContact O-N 2.99Å; M85-H88 PolarHBondContact O-N 3.35Å; H88-K90 PolarHBondContact O-N 3.35Å; H88-M91 PolarHBondContact O-N 3.37Å; H88-N92 WeakPolarHBondContact O-CB 3.45Å; H88-N92 VanDerWaalsContact O-CG 3.22Å; H88-N92 PolarHBondContact O-N 2.89Å; H88-N92 PolarHBondContact O-ND2 3.27Å
89I96.1Very high94.3Very high16 Ų1682.6 Ų82.68%0.08240%0.397CS..Hα-helixtrans-61-47.8176.3-67.9167000110.3I8 R11 F15 M85 D86 E87 M91 N92 F93I8-I89 HydrophobicContact CG2-CD1 4.31Å; R11-I89 HydrophobicContact CB-CD1 3.92Å; F15-I89 HydrophobicContact CB-CG2 3.9Å; F15-I89 HydrophobicContact CD2-CB 4.36Å; F15-I89 HydrophobicContact CD2-CG2 3.64Å; F15-I89 HydrophobicContact CG-CG2 4.14Å; M85-I89 VanDerWaalsContact O-CG1 3.26Å; M85-I89 WeakPolarHBondContact O-CG1 3.47Å; M85-I89 PolarHBondContact O-N 3.39Å; D86-I89 PolarHBondContact O-N 3.1Å; E87-I89 PolarHBondContact O-N 3.41Å; I89-M91 VanDerWaalsContact C-N 3.28Å; I89-M91 PolarHBondContact O-N 3.05Å; I89-N92 PolarHBondContact O-N 3.03Å; I89-F93 HydrophobicContact CG2-CD2 3.81Å; I89-F93 HydrophobicContact CG2-CE2 3.76Å; I89-F93 VanDerWaalsContact O-CD2 3.26Å; I89-F93 WeakPolarHBondContact O-CD2 3.47Å; I89-F93 PolarHBondContact O-N 3.37Å; I89-F93 VanDerWaalsContact O-N 3.14Å
90K95.5Very high94.5Very high107 Ų10782.8 Ų82.847%0.46540%0.395SS..Hα-helixtrans-61-37.7179.3177.9-174.8172.8-168.90112.1F15 R19 D86 E87 H88 G94F15-K90 HydrophobicContact CD1-CB 4.19Å; F15-K90 HydrophobicContact CD1-CG 4.34Å; F15-K90 HydrophobicContact CE1-CB 4.03Å; F15-K90 HydrophobicContact CE1-CD 4.38Å; F15-K90 HydrophobicContact CE1-CG 4.1Å; F15-K90 HydrophobicContact CZ-CB 4.23Å; R19-K90 PolarHBondContact NH2-O 2.94Å; D86-K90 WeakPolarHBondContact O-CB 3.26Å; D86-K90 PolarHBondContact O-N 3.49Å; E87-K90 PolarHBondContact O-N 3.06Å; H88-K90 PolarHBondContact O-N 3.35Å; K90-G94 PolarHBondContact O-N 3Å
91M96.8Very high94.5Very high103 Ų10378.1 Ų78.151%0.50737%0.373SS..Hα-helixtrans-69.7-48.3178.1-172.2-176-64.600110.9E87 H88 I89 F93 G94 F95E87-M91 VanDerWaalsContact O-CB 3.28Å; E87-M91 WeakPolarHBondContact O-CB 3.45Å; E87-M91 PolarHBondContact O-N 3.14Å; H88-M91 PolarHBondContact O-N 3.37Å; I89-M91 VanDerWaalsContact C-N 3.28Å; I89-M91 PolarHBondContact O-N 3.05Å; M91-F93 PolarHBondContact O-N 2.77Å; M91-G94 CarbonylContact O-C 3.53Å; M91-G94 VanDerWaalsContact O-CA 3.29Å; M91-G94 WeakPolarHBondContact O-CA 3.28Å; M91-G94 PolarHBondContact O-N 3.03Å; M91-F95 HydrophobicContact CG-CD2 4.03Å; M91-F95 HydrophobicContact CG-CE2 3.44Å; M91-F95 VanDerWaalsContact CG-CE2 3.44Å; M91-F95 HydrophobicContact CG-CZ 4Å; M91-F95 WeakPolarHBondContact O-CD2 2.9Å; M91-F95 PolarHBondContact O-N 3.33Å; M91-F95 HydrophobicContact SD-CE2 3.84Å; M91-F95 HydrophobicContact SD-CZ 4.24Å
92N95.9Very high94.8Very high98 Ų9874.6 Ų74.652%0.52436%0.364SS..Hα-helixtrans-55.4-49.1178.1-74.1-13.4000112.2H88 I89 G94 F95 I96H88-N92 WeakPolarHBondContact O-CB 3.45Å; H88-N92 VanDerWaalsContact O-CG 3.22Å; H88-N92 PolarHBondContact O-N 2.89Å; H88-N92 PolarHBondContact O-ND2 3.27Å; I89-N92 PolarHBondContact O-N 3.03Å; N92-G94 VanDerWaalsContact C-N 3.28Å; N92-G94 PolarHBondContact O-N 3.5Å; N92-F95 PolarHBondContact O-N 3.34Å; N92-I96 WeakPolarHBondContact O-CG1 3.39Å; N92-I96 PolarHBondContact O-N 3.21Å
93F96.7Very high94.9Very high35 Ų3580.5 Ų80.515%0.15439%0.389CS..Hα-helixtrans-74-20.6176.4-65.9-63.5000113S12 F15 K16 R19 I89 M91 I96 K97S12-F93 VanDerWaalsContact O-CE2 3.31Å; S12-F93 WeakPolarHBondContact O-CE2 3.43Å; F15-F93 HydrophobicContact CB-CD2 3.79Å; F15-F93 HydrophobicContact CB-CE2 4.47Å; K16-F93 HydrophobicContact CB-CD1 3.83Å; K16-F93 HydrophobicContact CB-CD2 4.35Å; K16-F93 HydrophobicContact CB-CE1 3.54Å; K16-F93 HydrophobicContact CB-CE2 4.06Å; K16-F93 HydrophobicContact CB-CG 4.25Å; K16-F93 HydrophobicContact CB-CZ 3.67Å; K16-F93 HydrophobicContact CD-CE1 3.95Å; K16-F93 HydrophobicContact CD-CZ 4.34Å; K16-F93 HydrophobicContact CG-CD1 4Å; K16-F93 HydrophobicContact CG-CE1 3.65Å; K16-F93 HydrophobicContact CG-CZ 4.2Å; R19-F93 HydrophobicContact CB-CB 4.05Å; R19-F93 HydrophobicContact CG-CB 3.58Å; R19-F93 WeakPolarHBondContact CG-O 3.44Å; I89-F93 HydrophobicContact CG2-CD2 3.81Å; I89-F93 HydrophobicContact CG2-CE2 3.76Å; I89-F93 VanDerWaalsContact O-CD2 3.26Å; I89-F93 WeakPolarHBondContact O-CD2 3.47Å; I89-F93 PolarHBondContact O-N 3.37Å; I89-F93 VanDerWaalsContact O-N 3.14Å; M91-F93 PolarHBondContact O-N 2.77Å; F93-I96 HydrophobicContact CD1-CD1 3.77Å; F93-I96 HydrophobicContact CE1-CD1 4.13Å; F93-K97 PolarHBondContact O-N 3.25Å; F93-K97 VanDerWaalsContact O-N 3.13Å
94G94.9Very high95Very high10 Ų1074.2 Ų74.210%0.10337%0.367CS..Hα-helixtrans-62.5-50.5169.100000111.7K90 M91 N92 I96 K97 E98K90-G94 PolarHBondContact O-N 3Å; M91-G94 CarbonylContact O-C 3.53Å; M91-G94 VanDerWaalsContact O-CA 3.29Å; M91-G94 WeakPolarHBondContact O-CA 3.28Å; M91-G94 PolarHBondContact O-N 3.03Å; N92-G94 VanDerWaalsContact C-N 3.28Å; N92-G94 PolarHBondContact O-N 3.5Å; G94-I96 VanDerWaalsContact C-N 3.3Å; G94-I96 PolarHBondContact O-N 3.45Å; G94-K97 WeakPolarHBondContact O-CB 3.44Å; G94-K97 PolarHBondContact O-N 2.93Å; G94-K97 VanDerWaalsContact O-N 3.13Å; G94-E98 PolarHBondContact O-N 3.49Å
95F95.5Very high95Very high119 Ų11975.4 Ų75.452%0.52237%0.368SS..Hα-helixtrans-59.5-39.7176.1-69.8-54000112.6M91 N92 K97 E98 F99M91-F95 HydrophobicContact CG-CD2 4.03Å; M91-F95 HydrophobicContact CG-CE2 3.44Å; M91-F95 VanDerWaalsContact CG-CE2 3.44Å; M91-F95 HydrophobicContact CG-CZ 4Å; M91-F95 WeakPolarHBondContact O-CD2 2.9Å; M91-F95 PolarHBondContact O-N 3.33Å; M91-F95 HydrophobicContact SD-CE2 3.84Å; M91-F95 HydrophobicContact SD-CZ 4.24Å; N92-F95 PolarHBondContact O-N 3.34Å; F95-K97 VanDerWaalsContact C-N 3.35Å; F95-K97 PolarHBondContact O-N 3.49Å; F95-E98 PolarHBondContact O-N 3.33Å; F95-F99 WeakPolarHBondContact O-CB 3.28Å; F95-F99 PolarHBondContact O-N 3.47Å
96I93.7Very high95.1Very high84 Ų8480.9 Ų80.943%0.43139%0.387SS..Hα-helixtrans-62.1-42.4176.1-67.8167.1000111.3N92 F93 G94 F99 N100N92-I96 WeakPolarHBondContact O-CG1 3.39Å; N92-I96 PolarHBondContact O-N 3.21Å; F93-I96 HydrophobicContact CD1-CD1 3.77Å; F93-I96 HydrophobicContact CE1-CD1 4.13Å; G94-I96 VanDerWaalsContact C-N 3.3Å; G94-I96 PolarHBondContact O-N 3.45Å; I96-F99 PolarHBondContact O-N 2.93Å; I96-N100 WeakPolarHBondContact O-CB 3.46Å; I96-N100 PolarHBondContact O-N 3.43Å; I96-N100 PolarHBondContact O-ND2 2.94Å
97K94.4Very high95.1Very high46 Ų4683 Ų8320%0.240%0.399CS..Hα-helixtrans-60.9-46.2175.2165.4-179.6179.5-165.60111.3R19 E22 T23 F93 G94 F95 N100 T101R19-K97 HydrophobicContact CB-CB 4.35Å; E22-K97 HydrophobicContact CB-CD 4.01Å; E22-K97 IonicContact OE2-NZ 2.9Å; E22-K97 PolarHBondContact OE2-NZ 2.86Å; T23-K97 WeakPolarHBondContact OG1-CB 3.09Å; T23-K97 WeakPolarHBondContact OG1-CG 3.4Å; F93-K97 PolarHBondContact O-N 3.25Å; F93-K97 VanDerWaalsContact O-N 3.13Å; G94-K97 WeakPolarHBondContact O-CB 3.44Å; G94-K97 PolarHBondContact O-N 2.93Å; G94-K97 VanDerWaalsContact O-N 3.13Å; F95-K97 VanDerWaalsContact C-N 3.35Å; F95-K97 PolarHBondContact O-N 3.49Å; K97-N100 PolarHBondContact O-N 2.99Å; K97-T101 VanDerWaalsContact O-CB 3.3Å; K97-T101 WeakPolarHBondContact O-CB 3.5Å; K97-T101 PolarHBondContact O-N 3.27Å; K97-T101 PolarHBondContact O-OG1 3.11Å
98E95.7Very high95Very high130 Ų13077.8 Ų77.861%0.60737%0.374SS*.Hα-helixtrans-62.6-46.1179.9-72.9176.6-179.100111.3G94 F95 T101 G102G94-E98 PolarHBondContact O-N 3.49Å; F95-E98 PolarHBondContact O-N 3.33Å; E98-T101 PolarHBondContact O-N 2.93Å; E98-G102 PolarHBondContact O-N 3.2Å
99F95.3Very high95Very high151 Ų15175.5 Ų75.566%0.66237%0.366SS*.Hα-helixtrans-58.5-50.8176.8-176.9-94.6000111.9F95 I96 T101 G102 F103F95-F99 WeakPolarHBondContact O-CB 3.28Å; F95-F99 PolarHBondContact O-N 3.47Å; I96-F99 PolarHBondContact O-N 2.93Å; F99-T101 VanDerWaalsContact C-N 3.34Å; F99-T101 PolarHBondContact O-N 2.68Å; F99-G102 PolarHBondContact O-N 3.06Å; F99-F103 PolarHBondContact O-N 3.31Å
100N92.1Very high94.9Very high69 Ų6976.3 Ų76.337%0.36937%0.373SS..Hα-helixtrans-62.3-41.8179.5-71.1-19.8000112T23 I96 K97 F103 V104T23-N100 HydrophobicContact CG2-CB 3.94Å; I96-N100 WeakPolarHBondContact O-CB 3.46Å; I96-N100 PolarHBondContact O-N 3.43Å; I96-N100 PolarHBondContact O-ND2 2.94Å; K97-N100 PolarHBondContact O-N 2.99Å; N100-F103 PolarHBondContact O-N 2.99Å; N100-V104 WeakPolarHBondContact O-CG2 3.28Å; N100-V104 PolarHBondContact O-N 3.35Å; N100-V104 VanDerWaalsContact O-N 3.12Å
101T94.3Very high94.8Very high26 Ų2673.3 Ų73.316%0.1636%0.36CS..Hα-helixtrans-65.4-42.4177.4-55.80000111.2T26 K97 E98 F99 V104 K105T26-T101 HydrophobicContact CG2-CG2 3.63Å; K97-T101 VanDerWaalsContact O-CB 3.3Å; K97-T101 WeakPolarHBondContact O-CB 3.5Å; K97-T101 PolarHBondContact O-N 3.27Å; K97-T101 PolarHBondContact O-OG1 3.11Å; E98-T101 PolarHBondContact O-N 2.93Å; F99-T101 VanDerWaalsContact C-N 3.34Å; F99-T101 PolarHBondContact O-N 2.68Å; T101-V104 PolarHBondContact O-N 3.48Å; T101-K105 WeakPolarHBondContact O-CB 3.46Å; T101-K105 PolarHBondContact O-N 3.26Å
102G95.5Very high94.7Very high40 Ų4068.7 Ų68.741%0.41234%0.338SS..Hα-helixtrans-61.8-43.6176.900000112.3E98 F99 K105 Y106E98-G102 PolarHBondContact O-N 3.2Å; F99-G102 PolarHBondContact O-N 3.06Å; G102-K105 PolarHBondContact O-N 3.39Å; G102-Y106 PolarHBondContact O-N 3.47Å
103F94.6Very high94.6Very high130 Ų13069.5 Ų69.557%0.5734%0.342SS*.Hα-helixtrans-60.2-48.2176-178.1-95.4000111.9F99 N100 K105 Y106 D107F99-F103 PolarHBondContact O-N 3.31Å; N100-F103 PolarHBondContact O-N 2.99Å; F103-K105 VanDerWaalsContact C-N 3.33Å; F103-K105 PolarHBondContact O-N 3.28Å; F103-Y106 WeakPolarHBondContact O-CB 3.45Å; F103-Y106 PolarHBondContact O-N 3.17Å; F103-D107 PolarHBondContact O-N 2.76Å
104V93.1Very high94.4Very high12 Ų1273.9 Ų73.97%0.07336%0.361CS..Hα-helixtrans-64.6-39.3178.3172.40000111.6I27 N100 T101 Y106 D107 F108I27-V104 HydrophobicContact CD1-CB 4.34Å; I27-V104 HydrophobicContact CD1-CG2 3.83Å; I27-V104 HydrophobicContact CG1-CB 4.21Å; I27-V104 HydrophobicContact CG1-CG1 4.08Å; I27-V104 HydrophobicContact CG1-CG2 4.24Å; I27-V104 HydrophobicContact CG2-CG1 4.11Å; N100-V104 WeakPolarHBondContact O-CG2 3.28Å; N100-V104 PolarHBondContact O-N 3.35Å; N100-V104 VanDerWaalsContact O-N 3.12Å; T101-V104 PolarHBondContact O-N 3.48Å; V104-Y106 VanDerWaalsContact C-N 3.34Å; V104-Y106 PolarHBondContact O-N 3.02Å; V104-D107 PolarHBondContact O-N 3.09Å; V104-F108 HydrophobicContact CG1-CD1 4.15Å; V104-F108 HydrophobicContact CG1-CD2 4.05Å; V104-F108 HydrophobicContact CG1-CE1 3.76Å; V104-F108 HydrophobicContact CG1-CE2 3.65Å; V104-F108 HydrophobicContact CG1-CG 4.31Å; V104-F108 HydrophobicContact CG1-CZ 3.51Å; V104-F108 WeakPolarHBondContact O-CB 3.47Å; V104-F108 VanDerWaalsContact O-CG 3.28Å; V104-F108 WeakPolarHBondContact O-CG 3.5Å; V104-F108 PolarHBondContact O-N 3.12Å
105K94.9Very high94.2Very high104 Ų10475.3 Ų75.345%0.45237%0.367SS..Hα-helixtrans-60.4-44.9174.7-175.5-179.6179.2-177.50111.7L30 T101 G102 F103 F108 L109L30-K105 HydrophobicContact CD2-CB 3.78Å; L30-K105 HydrophobicContact CD2-CG 4.16Å; T101-K105 WeakPolarHBondContact O-CB 3.46Å; T101-K105 PolarHBondContact O-N 3.26Å; G102-K105 PolarHBondContact O-N 3.39Å; F103-K105 VanDerWaalsContact C-N 3.33Å; F103-K105 PolarHBondContact O-N 3.28Å; K105-F108 PolarHBondContact O-N 2.99Å; K105-L109 HydrophobicContact CG-CD1 4.15Å; K105-L109 VanDerWaalsContact O-CG 3.28Å; K105-L109 WeakPolarHBondContact O-CG 3.34Å; K105-L109 PolarHBondContact O-N 3.25Å
106Y95.6Very high93.9Very high166 Ų16674.7 Ų74.765%0.65137%0.367SS*.Hα-helixtrans-61.3-46.7176.5174-94.9000111.6G102 F103 V104 F108 L109 S110G102-Y106 PolarHBondContact O-N 3.47Å; F103-Y106 WeakPolarHBondContact O-CB 3.45Å; F103-Y106 PolarHBondContact O-N 3.17Å; V104-Y106 VanDerWaalsContact C-N 3.34Å; V104-Y106 PolarHBondContact O-N 3.02Å; Y106-F108 PolarHBondContact O-N 3.13Å; Y106-L109 PolarHBondContact O-N 3.49Å; Y106-S110 PolarHBondContact O-N 3.22Å
107D93.9Very high93.7Very high66 Ų6674.2 Ų74.235%0.35337%0.371SS..Hα-helixtrans-59.4-47.9178.3-178.367.2000111.6F103 V104 L109 S110 Q111F103-D107 PolarHBondContact O-N 2.76Å; V104-D107 PolarHBondContact O-N 3.09Å; D107-L109 PolarHBondContact O-N 2.9Å; D107-S110 WeakPolarHBondContact O-CB 3.34Å; D107-S110 PolarHBondContact O-N 3.47Å; D107-S110 VanDerWaalsContact O-N 3.13Å; D107-Q111 WeakPolarHBondContact O-CG 3.37Å; D107-Q111 PolarHBondContact O-N 2.97Å; D107-Q111 PolarHBondContact OD2-NE2 3.12Å
108F94.8Very high93.1Very high3 Ų379.6 Ų79.61%0.01340%0.395CS..Hα-helixtrans-59.2-44.1176.7-72.4-2.1000112.9L30 R31 Y34 F43 Y44 V104 K105 Y106 S110 Q111 I112L30-F108 HydrophobicContact CD2-CD2 3.91Å; L30-F108 HydrophobicContact CD2-CE2 4.23Å; L30-F108 HydrophobicContact CG-CD2 4.06Å; L30-F108 HydrophobicContact CG-CE2 4.31Å; R31-F108 HydrophobicContact CB-CE2 3.78Å; R31-F108 HydrophobicContact CB-CZ 4.08Å; Y34-F108 HydrophobicContact CD2-CB 3.75Å; Y34-F108 AromaticContact CD2-CD2 3.74Å; Y34-F108 HydrophobicContact CD2-CD2 3.74Å; Y34-F108 HydrophobicContact CD2-CG 4.22Å; Y34-F108 HydrophobicContact CE2-CB 3.81Å; Y34-F108 HydrophobicContact CE2-CD2 4.1Å; F43-F108 HydrophobicContact CB-CD1 4.13Å; F43-F108 HydrophobicContact CB-CE1 3.86Å; F43-F108 HydrophobicContact CB-CZ 4.1Å; F43-F108 HydrophobicContact CD1-CB 3.7Å; F43-F108 AromaticContact CD1-CD1 3.7Å; F43-F108 HydrophobicContact CD1-CD1 3.7Å; F43-F108 HydrophobicContact CD1-CD2 4.08Å; F43-F108 HydrophobicContact CD1-CE1 4.27Å; F43-F108 AromaticContact CD1-CG 3.56Å; F43-F108 HydrophobicContact CD1-CG 3.56Å; F43-F108 HydrophobicContact CE1-CB 3.85Å; F43-F108 HydrophobicContact CE1-CG 4.2Å; F43-F108 HydrophobicContact CG-CD1 4.38Å; F43-F108 HydrophobicContact CG-CG 4.44Å; F43-F108 WeakPolarHBondContact O-CE1 3.39Å; Y44-F108 HydrophobicContact CD1-CE1 4.19Å; Y44-F108 HydrophobicContact CD1-CZ 4.22Å; Y44-F108 AromaticContact CE1-CE1 3.76Å; Y44-F108 HydrophobicContact CE1-CE1 3.76Å; Y44-F108 AromaticContact CE1-CZ 3.43Å; Y44-F108 HydrophobicContact CE1-CZ 3.43Å; Y44-F108 VanDerWaalsContact CE1-CZ 3.43Å; Y44-F108 AromaticContact CZ-CZ 3.87Å; V104-F108 HydrophobicContact CG1-CD1 4.15Å; V104-F108 HydrophobicContact CG1-CD2 4.05Å; V104-F108 HydrophobicContact CG1-CE1 3.76Å; V104-F108 HydrophobicContact CG1-CE2 3.65Å; V104-F108 HydrophobicContact CG1-CG 4.31Å; V104-F108 HydrophobicContact CG1-CZ 3.51Å; V104-F108 WeakPolarHBondContact O-CB 3.47Å; V104-F108 VanDerWaalsContact O-CG 3.28Å; V104-F108 WeakPolarHBondContact O-CG 3.5Å; V104-F108 PolarHBondContact O-N 3.12Å; K105-F108 PolarHBondContact O-N 2.99Å; Y106-F108 PolarHBondContact O-N 3.13Å; F108-S110 VanDerWaalsContact C-N 3.32Å; F108-S110 PolarHBondContact O-N 2.77Å; F108-Q111 PolarHBondContact O-N 2.92Å; F108-I112 WeakPolarHBondContact O-CG1 3.33Å; F108-I112 PolarHBondContact O-N 2.95Å
109L95.1Very high92Very high71 Ų7179 Ų7937%0.37240%0.396SS..Hα-helixtrans-63.8-38.1176.2-71171.6000111.8Y34 K105 Y106 D107 Q111 I112 L113Y34-L109 HydrophobicContact CE2-CD2 4.4Å; Y34-L109 HydrophobicContact CE2-CG 4.49Å; K105-L109 HydrophobicContact CG-CD1 4.15Å; K105-L109 VanDerWaalsContact O-CG 3.28Å; K105-L109 WeakPolarHBondContact O-CG 3.34Å; K105-L109 PolarHBondContact O-N 3.25Å; Y106-L109 PolarHBondContact O-N 3.49Å; D107-L109 PolarHBondContact O-N 2.9Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q111 PolarHBondContact O-N 3.3Å; L109-I112 HydrophobicContact CD2-CD1 4.27Å; L109-I112 PolarHBondContact O-N 3.23Å; L109-L113 WeakPolarHBondContact O-CG 3.36Å; L109-L113 PolarHBondContact O-N 3.22Å
110S94.9Very high90.6Very high33 Ų3375 Ų7523%0.23140%0.397CS..Hα-helixtrans-62.5-40.5174.5-172.50000111.9Y106 D107 F108 L113 K114Y106-S110 PolarHBondContact O-N 3.22Å; D107-S110 WeakPolarHBondContact O-CB 3.34Å; D107-S110 PolarHBondContact O-N 3.47Å; D107-S110 VanDerWaalsContact O-N 3.13Å; F108-S110 VanDerWaalsContact C-N 3.32Å; F108-S110 PolarHBondContact O-N 2.77Å; S110-L113 PolarHBondContact O-N 3.32Å; S110-K114 WeakPolarHBondContact O-CG 3.47Å; S110-K114 PolarHBondContact O-N 3.41Å
111Q93.3Very high88.5Confident43 Ų4381.3 Ų81.320%0.20143%0.431CS..Hα-helixtrans-64.7-42.6175.7-65.4-178.146.500112V41 N42 D107 F108 L109 K114 V115V41-Q111 HydrophobicContact CG1-CB 3.83Å; N42-Q111 PolarHBondContact O-OE1 3.45Å; D107-Q111 WeakPolarHBondContact O-CG 3.37Å; D107-Q111 PolarHBondContact O-N 2.97Å; D107-Q111 PolarHBondContact OD2-NE2 3.12Å; F108-Q111 PolarHBondContact O-N 2.92Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q111 PolarHBondContact O-N 3.3Å; Q111-K114 PolarHBondContact O-N 2.86Å; Q111-V115 PolarHBondContact O-N 3.05Å
112I94.3Very high88.3Confident7 Ų784.1 Ų84.14%0.03644%0.444CS..Hα-helixtrans-58.5-50.9174.7-69.1158.9000110.5Y34 F38 V41 F43 F108 L109 K114 V115 M116Y34-I112 HydrophobicContact CD2-CD1 4.1Å; Y34-I112 HydrophobicContact CE2-CD1 4.47Å; Y34-I112 HydrophobicContact CG-CD1 4.16Å; F38-I112 HydrophobicContact CB-CG1 4.29Å; F38-I112 HydrophobicContact CD1-CG2 3.78Å; F38-I112 HydrophobicContact CD2-CD1 3.54Å; F38-I112 HydrophobicContact CD2-CG1 3.84Å; F38-I112 HydrophobicContact CD2-CG2 4.21Å; F38-I112 HydrophobicContact CE1-CG2 3.72Å; F38-I112 HydrophobicContact CE2-CD1 3.74Å; F38-I112 HydrophobicContact CE2-CG1 4.34Å; F38-I112 HydrophobicContact CE2-CG2 4.17Å; F38-I112 HydrophobicContact CG-CD1 4.21Å; F38-I112 HydrophobicContact CG-CG1 3.98Å; F38-I112 HydrophobicContact CG-CG2 4.03Å; F38-I112 HydrophobicContact CZ-CG2 3.93Å; V41-I112 HydrophobicContact CG1-CG1 4.22Å; V41-I112 HydrophobicContact CG2-CG1 4.07Å; F43-I112 HydrophobicContact CE1-CD1 3.68Å; F43-I112 HydrophobicContact CE1-CG1 3.61Å; F43-I112 HydrophobicContact CZ-CD1 3.73Å; F43-I112 HydrophobicContact CZ-CG1 3.56Å; F108-I112 WeakPolarHBondContact O-CG1 3.33Å; F108-I112 PolarHBondContact O-N 2.95Å; L109-I112 HydrophobicContact CD2-CD1 4.27Å; L109-I112 PolarHBondContact O-N 3.23Å; I112-K114 VanDerWaalsContact C-N 3.28Å; I112-K114 PolarHBondContact O-N 2.97Å; I112-V115 PolarHBondContact O-N 3.16Å; I112-V115 VanDerWaalsContact O-N 3.12Å; I112-M116 HydrophobicContact CG2-CG 4.25Å; I112-M116 HydrophobicContact CG2-SD 3.7Å; I112-M116 WeakPolarHBondContact O-CG 3.38Å; I112-M116 PolarHBondContact O-N 3.3Å
113L93.9Very high87.9Confident115 Ų11586.4 Ų86.460%0.60245%0.446SS*.Hα-helixtrans-58.5-39.6-179.9-73171.2000112.3L109 S110 V115 M116 S117L109-L113 WeakPolarHBondContact O-CG 3.36Å; L109-L113 PolarHBondContact O-N 3.22Å; S110-L113 PolarHBondContact O-N 3.32Å; L113-V115 VanDerWaalsContact C-N 3.34Å; L113-V115 PolarHBondContact O-N 2.87Å; L113-M116 PolarHBondContact O-N 3.1Å; L113-S117 WeakPolarHBondContact O-CB 3.43Å; L113-S117 PolarHBondContact O-N 3.33Å; L113-S117 PolarHBondContact O-OG 3.48Å
114K92.1Very high87.5Confident127 Ų12784 Ų8455%0.55244%0.439SS*.Hα-helixtrans-62.9-37.4177.3-76.8170.9-177.41720113.1S110 Q111 I112 S117 K118S110-K114 WeakPolarHBondContact O-CG 3.47Å; S110-K114 PolarHBondContact O-N 3.41Å; Q111-K114 PolarHBondContact O-N 2.86Å; I112-K114 VanDerWaalsContact C-N 3.28Å; I112-K114 PolarHBondContact O-N 2.97Å; K114-S117 WeakPolarHBondContact CA-OG 3.32Å; K114-S117 PolarHBondContact O-OG 3.44Å; K114-K118 WeakPolarHBondContact O-CG 3.38Å; K114-K118 PolarHBondContact O-N 3.4Å
115V90.8Very high87.2Confident40 Ų4088.2 Ų88.224%0.24246%0.46CS..Hα-helixtrans-72.7-48.1176.61750000109.8N40 V41 Q111 I112 L113 S117 K118 D119N40-V115 HydrophobicContact CB-CG1 4.47Å; V41-V115 HydrophobicContact CG2-CB 4Å; V41-V115 HydrophobicContact CG2-CG1 4.35Å; V41-V115 HydrophobicContact CG2-CG2 3.89Å; Q111-V115 PolarHBondContact O-N 3.05Å; I112-V115 PolarHBondContact O-N 3.16Å; I112-V115 VanDerWaalsContact O-N 3.12Å; L113-V115 VanDerWaalsContact C-N 3.34Å; L113-V115 PolarHBondContact O-N 2.87Å; V115-S117 VanDerWaalsContact C-N 3.26Å; V115-S117 PolarHBondContact O-N 3.45Å; V115-K118 WeakPolarHBondContact O-CB 3.45Å; V115-K118 PolarHBondContact O-N 2.94Å; V115-D119 PolarHBondContact O-N 3.24Å; V115-D119 VanDerWaalsContact O-N 3.1Å
116M90Very high86.7Confident105 Ų10587.3 Ų87.352%0.51746%0.461SS..Hα-helixtrans-58.7-36.6177.7-67.8179.868.500112.9F38 I112 L113 K118 D119 G120F38-M116 HydrophobicContact CE1-SD 4.25Å; I112-M116 HydrophobicContact CG2-CG 4.25Å; I112-M116 HydrophobicContact CG2-SD 3.7Å; I112-M116 WeakPolarHBondContact O-CG 3.38Å; I112-M116 PolarHBondContact O-N 3.3Å; L113-M116 PolarHBondContact O-N 3.1Å; M116-K118 VanDerWaalsContact C-N 3.26Å; M116-K118 PolarHBondContact O-N 3.27Å; M116-D119 PolarHBondContact O-N 3.49Å; M116-G120 PolarHBondContact O-N 2.9Å
117S89Confident86.1Confident74 Ų7482 Ų8252%0.51745%0.448SS..Hα-helixtrans-70.1-20.7176.563.70000114L113 K114 V115L113-S117 WeakPolarHBondContact O-CB 3.43Å; L113-S117 PolarHBondContact O-N 3.33Å; L113-S117 PolarHBondContact O-OG 3.48Å; K114-S117 WeakPolarHBondContact CA-OG 3.32Å; K114-S117 PolarHBondContact O-OG 3.44Å; V115-S117 VanDerWaalsContact C-N 3.26Å; V115-S117 PolarHBondContact O-N 3.45Å
118K82.3Confident85.6Confident159 Ų15983.1 Ų83.169%0.69146%0.455SS*.Hα-helixtrans-86.1-33.1175.7-73.6177.2179.2-173.60111.9K114 V115 M116 G120K114-K118 WeakPolarHBondContact O-CG 3.38Å; K114-K118 PolarHBondContact O-N 3.4Å; V115-K118 WeakPolarHBondContact O-CB 3.45Å; V115-K118 PolarHBondContact O-N 2.94Å; M116-K118 VanDerWaalsContact C-N 3.26Å; M116-K118 PolarHBondContact O-N 3.27Å; K118-G120 VanDerWaalsContact C-N 3.28Å
119D73Confident84.8Confident118 Ų11889.3 Ų89.363%0.63149%0.489SS*.Hα-helixtrans-74.7-20177.9-63.9-17.4000112.5V115 M116V115-D119 PolarHBondContact O-N 3.24Å; V115-D119 VanDerWaalsContact O-N 3.1Å; M116-D119 PolarHBondContact O-N 3.49Å
120G65.4Low84Confident66 Ų6690.8 Ų90.868%0.6850%0.499SS*.THydrogen-bonded Turntrans-87.1-1.6177.600000115.9M116 K118M116-G120 PolarHBondContact O-N 2.9Å; K118-G120 VanDerWaalsContact C-N 3.28Å
121N48.9Very low83Confident203 Ų20396.1 Ų96.1100%1.08652%0.523SS*.  trans-116.60174.2-81.8-21.9000110.1

Retrieved 121 of 121 residues in 313.3 ms (Link to these results)

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