A0A077ZPK7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZPK7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 165 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
1M53.3Low58.7Low213 Ų213133.1 Ų133.1100%1.04964%0.64SS**  0-52.70-161.5174.1-75.600111.2L3 R4M1-L3 PolarHBondContact O-N 3.11Å; M1-R4 PolarHBondContact O-N 2.81Å
2V52.5Low60Low101 Ų101133.4 Ų133.461%0.61264%0.64SS**Hα-helixtrans-56.3-44.5179.4-176.50000113.8R4 F5 F6V2-R4 PolarHBondContact O-N 2.68Å; V2-F5 WeakPolarHBondContact O-CB 3.37Å; V2-F5 PolarHBondContact O-N 2.99Å; V2-F6 HydrophobicContact CG1-CD2 4.11Å; V2-F6 HydrophobicContact CG1-CE2 3.86Å; V2-F6 WeakPolarHBondContact O-CD2 3.41Å
3L53.3Low61Low73 Ų73126.2 Ų126.238%0.38261%0.611SS.*Hα-helixtrans-61.3-41.3-179.2-71.5169.7000113.5M1 F5 F6 E7 L17M1-L3 PolarHBondContact O-N 3.11Å; L3-F5 VanDerWaalsContact C-N 3.26Å; L3-F5 PolarHBondContact O-N 3.42Å; L3-F6 PolarHBondContact O-N 3.16Å; L3-E7 WeakPolarHBondContact O-CG 3.25Å; L3-E7 PolarHBondContact O-N 3.32Å; L3-L17 HydrophobicContact CD2-CB 4.09Å
4R58.8Low61.9Low211 Ų211117.7 Ų117.780%0.79657%0.573SS**Hα-helixtrans-66.2-27.9179.6-73.7-165.2-179.4-172.80.2113.1M1 V2M1-R4 PolarHBondContact O-N 2.81Å; V2-R4 PolarHBondContact O-N 2.68Å
5F62.1Low63.1Low141 Ų141115.9 Ų115.962%0.61857%0.568SS**Hα-helixtrans-69.5-34-179.7-178.2-97.2000112.2V2 L3 S8V2-F5 WeakPolarHBondContact O-CB 3.37Å; V2-F5 PolarHBondContact O-N 2.99Å; L3-F5 VanDerWaalsContact C-N 3.26Å; L3-F5 PolarHBondContact O-N 3.42Å; F5-S8 PolarHBondContact O-OG 3.3Å; F5-S8 VanDerWaalsContact O-OG 3.1Å
6F53.4Low64.2Low81 Ų81113.8 Ų113.836%0.35556%0.559SS.*Hα-helixtrans-94.3-18.1-176.8-71.3-72.9000114.3V2 L3 S8 Y9 L17V2-F6 HydrophobicContact CG1-CD2 4.11Å; V2-F6 HydrophobicContact CG1-CE2 3.86Å; V2-F6 WeakPolarHBondContact O-CD2 3.41Å; L3-F6 PolarHBondContact O-N 3.16Å; F6-S8 PolarHBondContact O-N 3.41Å; F6-S8 VanDerWaalsContact O-N 3.1Å; F6-Y9 PolarHBondContact O-N 3.26Å; F6-L17 HydrophobicContact CB-CD1 3.1Å; F6-L17 HydrophobicContact CD1-CD1 4.49Å; F6-L17 HydrophobicContact CD2-CD1 3.89Å; F6-L17 HydrophobicContact CG-CD1 3.61Å
7E56.4Low65Low110 Ų110108.9 Ų108.951%0.51454%0.536SS..THydrogen-bonded Turntrans-59-19.8173.6-79.3177.1156.900112.9L3L3-E7 WeakPolarHBondContact O-CG 3.25Å; L3-E7 PolarHBondContact O-N 3.32Å
8S61.1Low65.8Low85 Ų85109.5 Ų109.559%0.59454%0.535SS*.THydrogen-bonded Turntrans-88.5-12.8-176.557.90000116.3F5 F6F5-S8 PolarHBondContact O-OG 3.3Å; F5-S8 VanDerWaalsContact O-OG 3.1Å; F6-S8 PolarHBondContact O-N 3.41Å; F6-S8 VanDerWaalsContact O-N 3.1Å
9Y58.8Low66.8Low196 Ų196112.2 Ų112.277%0.76954%0.544SS*.THydrogen-bonded Turntrans-114.6-19.3-168.1-92-82.9000117.2F6F6-Y9 PolarHBondContact O-N 3.26Å
10E64.2Low67.9Low132 Ų132110.7 Ų110.762%0.61754%0.535SS*.  trans-163.3130.2175-121.8170.6-178.100111.8E12 C13 G14E10-E12 PolarHBondContact O-N 3.25Å; E10-C13 HydrophobicContact CB-CB 3.69Å; E10-C13 PolarHBondContact O-N 2.69Å; E10-G14 PolarHBondContact O-N 3.41Å
11V71.2Confident68.9Low121 Ų121108.4 Ų108.473%0.73352%0.523SS*.Hα-helixtrans-58.4-38.9179.5177.20000111.1N15V11-N15 WeakPolarHBondContact O-CB 3.26Å; V11-N15 PolarHBondContact O-N 3.3Å; V11-N15 PolarHBondContact O-ND2 2.95Å
12E74.7Confident70.8Confident137 Ų13798.5 Ų98.564%0.6448%0.476SS*.Hα-helixtrans-68.4-46177.6-171.7173.3179.700112E10 G14 N15 N16E10-E12 PolarHBondContact O-N 3.25Å; E12-G14 PolarHBondContact O-N 2.73Å; E12-N15 PolarHBondContact O-N 3.46Å; E12-N16 PolarHBondContact O-N 3.16Å; E12-N16 PolarHBondContact O-ND2 3.37Å
13C73.1Confident72.7Confident39 Ų3996.1 Ų96.126%0.26446%0.459SS..Hα-helixtrans-58.7-47.4175.7-171.10000111.2E10 N15 N16 L17E10-C13 HydrophobicContact CB-CB 3.69Å; E10-C13 PolarHBondContact O-N 2.69Å; C13-N15 VanDerWaalsContact C-N 3.32Å; C13-N15 PolarHBondContact O-N 3Å; C13-N16 PolarHBondContact O-N 2.92Å; C13-L17 VanDerWaalsContact O-CG 3.31Å; C13-L17 WeakPolarHBondContact O-CG 3.49Å; C13-L17 PolarHBondContact O-N 3.33Å
14G73.6Confident74.6Confident8 Ų896.2 Ų96.28%0.08246%0.46CS..Hα-helixtrans-59.4-40.2176.800000113E10 E12 K18E10-G14 PolarHBondContact O-N 3.41Å; E12-G14 PolarHBondContact O-N 2.73Å; G14-K18 VanDerWaalsContact O-CG 3.3Å; G14-K18 WeakPolarHBondContact O-CG 3.47Å; G14-K18 PolarHBondContact O-N 3.37Å
15N79.5Confident76.3Confident91 Ų9186.8 Ų86.849%0.48743%0.427SS..Hα-helixtrans-68.1-42.9177.1-72.8-21.2000112.3V11 E12 C13 L17 K18 K19V11-N15 WeakPolarHBondContact O-CB 3.26Å; V11-N15 PolarHBondContact O-N 3.3Å; V11-N15 PolarHBondContact O-ND2 2.95Å; E12-N15 PolarHBondContact O-N 3.46Å; C13-N15 VanDerWaalsContact C-N 3.32Å; C13-N15 PolarHBondContact O-N 3Å; N15-L17 PolarHBondContact O-N 3.11Å; N15-K18 PolarHBondContact O-N 3.26Å; N15-K19 PolarHBondContact O-N 3.18Å
16N80.6Confident77.9Confident81 Ų8180.3 Ų80.343%0.43340%0.398SS..Hα-helixtrans-62.4-42.2176.3-75.6-31.3000111.7E12 C13 K19 H20E12-N16 PolarHBondContact O-N 3.16Å; E12-N16 PolarHBondContact O-ND2 3.37Å; C13-N16 PolarHBondContact O-N 2.92Å; N16-K19 WeakPolarHBondContact O-CB 3.29Å; N16-K19 PolarHBondContact O-N 3.13Å; N16-H20 PolarHBondContact O-CD2 2.79Å; N16-H20 VanDerWaalsContact O-CD2 3.31Å; N16-H20 PolarHBondContact O-N 3.26Å
17L77.8Confident80Confident32 Ų3279.4 Ų79.417%0.16840%0.397CS..Hα-helixtrans-65.7-38.5176.2-70.1172.6000112.7L3 F6 C13 N15 K19 H20 K21 L24L3-L17 HydrophobicContact CD2-CB 4.09Å; F6-L17 HydrophobicContact CB-CD1 3.1Å; F6-L17 HydrophobicContact CD1-CD1 4.49Å; F6-L17 HydrophobicContact CD2-CD1 3.89Å; F6-L17 HydrophobicContact CG-CD1 3.61Å; C13-L17 VanDerWaalsContact O-CG 3.31Å; C13-L17 WeakPolarHBondContact O-CG 3.49Å; C13-L17 PolarHBondContact O-N 3.33Å; N15-L17 PolarHBondContact O-N 3.11Å; L17-K19 VanDerWaalsContact C-N 3.3Å; L17-K19 PolarHBondContact O-N 3.39Å; L17-H20 CarbonylContact O-C 3.16Å; L17-H20 PolarHBondContact O-N 3.45Å; L17-K21 PolarHBondContact O-N 2.97Å; L17-L24 HydrophobicContact CD2-CD1 3.59Å
18K80.7Confident81.9Confident119 Ų11977.3 Ų77.352%0.51739%0.394SS..Hα-helixtrans-62.8-38.3174.2-77.6173.7-176.2174.70111.9G14 N15 K21G14-K18 VanDerWaalsContact O-CG 3.3Å; G14-K18 WeakPolarHBondContact O-CG 3.47Å; G14-K18 PolarHBondContact O-N 3.37Å; N15-K18 PolarHBondContact O-N 3.26Å; K18-K21 WeakPolarHBondContact O-CG 3.5Å
19K84.1Confident83.6Confident161 Ų16173.5 Ų73.570%0.737%0.367SS*.Hα-helixtrans-66.6-40.1176.6-175.2179176-174.90112.2N15 N16 L17N15-K19 PolarHBondContact O-N 3.18Å; N16-K19 WeakPolarHBondContact O-CB 3.29Å; N16-K19 PolarHBondContact O-N 3.13Å; L17-K19 VanDerWaalsContact C-N 3.3Å; L17-K19 PolarHBondContact O-N 3.39Å
20H87.8Confident85.4Confident81 Ų8164.4 Ų64.438%0.37533%0.332SS..THydrogen-bonded Turntrans-100.315.4-176.1-68.1-68.5000114.7N16 L17 G22 D23 L24N16-H20 PolarHBondContact O-CD2 2.79Å; N16-H20 VanDerWaalsContact O-CD2 3.31Å; N16-H20 PolarHBondContact O-N 3.26Å; L17-H20 CarbonylContact O-C 3.16Å; L17-H20 PolarHBondContact O-N 3.45Å; H20-G22 PolarHBondContact O-N 3.3Å; H20-D23 IonicContact CE1-OD2 3.76Å; H20-D23 IonicContact CG-OD2 3.86Å; H20-D23 IonicContact ND1-OD2 3.73Å; H20-D23 PolarHBondContact ND1-OD2 3.44Å; H20-D23 PolarHBondContact O-N 3.14Å; H20-D23 VanDerWaalsContact O-N 3.11Å; H20-L24 WeakPolarHBondContact O-CG 3.5Å; H20-L24 PolarHBondContact O-N 3.01Å
21K90Very high86.9Confident64 Ų6465.7 Ų65.728%0.27833%0.332SS..Hα-helixtrans-56.2-35.9-177.665179.9171.3174.40113.4L17 K18 A25 L82 S87L17-K21 PolarHBondContact O-N 2.97Å; K18-K21 WeakPolarHBondContact O-CG 3.5Å; K21-A25 WeakPolarHBondContact O-CB 3.36Å; K21-A25 PolarHBondContact O-N 3.25Å; K21-L82 HydrophobicContact CB-CD1 4.29Å; K21-L82 HydrophobicContact CD-CD2 4.34Å; K21-L82 HydrophobicContact CG-CD1 4.14Å; K21-L82 WeakPolarHBondContact O-CD1 3.5Å; K21-S87 PolarHBondContact NZ-OG 3.41Å
22G92.4Very high88.1Confident5 Ų565.9 Ų65.95%0.05232%0.324CS..Hα-helixtrans-64.4-49.5176.700000111.2H20 L24 A25 Y26 L79H20-G22 PolarHBondContact O-N 3.3Å; G22-L24 VanDerWaalsContact C-N 3.32Å; G22-L24 PolarHBondContact O-N 3.03Å; G22-A25 PolarHBondContact O-N 3.48Å; G22-Y26 WeakPolarHBondContact O-CB 3.3Å; G22-Y26 PolarHBondContact O-N 3.5Å; G22-L79 WeakPolarHBondContact O-CD1 3.4Å
23D93.5Very high89.1Confident51 Ų5160.9 Ų60.927%0.27330%0.299SS..Hα-helixtrans-60.2-44.3179.3-57-32.4000111.2H20 Y26 L27 Y96H20-D23 IonicContact CE1-OD2 3.76Å; H20-D23 IonicContact CG-OD2 3.86Å; H20-D23 IonicContact ND1-OD2 3.73Å; H20-D23 PolarHBondContact ND1-OD2 3.44Å; H20-D23 PolarHBondContact O-N 3.14Å; H20-D23 VanDerWaalsContact O-N 3.11Å; D23-Y26 PolarHBondContact O-N 3.42Å; D23-L27 WeakPolarHBondContact O-CB 3.49Å; D23-L27 VanDerWaalsContact O-CG 3.27Å; D23-L27 WeakPolarHBondContact O-CG 3.47Å; D23-L27 PolarHBondContact O-N 3.27Å; D23-Y96 WeakPolarHBondContact CA-OH 3.12Å; D23-Y96 PolarHBondContact N-OH 3.41Å; D23-Y96 VanDerWaalsContact OD1-CE1 3.27Å; D23-Y96 WeakPolarHBondContact OD1-CE1 3.43Å; D23-Y96 PolarHBondContact OD1-OH 3.1Å
24L93.1Very high90.1Very high75 Ų7561.6 Ų61.639%0.39330%0.298SS..Hα-helixtrans-63.6-42.6178.1-67.2172.8000111.9L17 H20 G22 S28L17-L24 HydrophobicContact CD2-CD1 3.59Å; H20-L24 WeakPolarHBondContact O-CG 3.5Å; H20-L24 PolarHBondContact O-N 3.01Å; G22-L24 VanDerWaalsContact C-N 3.32Å; G22-L24 PolarHBondContact O-N 3.03Å; L24-S28 WeakPolarHBondContact O-CB 3.47Å; L24-S28 PolarHBondContact O-N 3.35Å
25A93.9Very high91.1Very high12 Ų1264.9 Ų64.910%0.09932%0.32CS..Hα-helixtrans-64.6-46.5177.300000111.5K21 G22 S28 D29 N78 L79 L82K21-A25 WeakPolarHBondContact O-CB 3.36Å; K21-A25 PolarHBondContact O-N 3.25Å; G22-A25 PolarHBondContact O-N 3.48Å; A25-S28 PolarHBondContact O-N 3.48Å; A25-D29 PolarHBondContact O-N 2.98Å; A25-N78 HydrophobicContact CB-CB 3.93Å; A25-L79 HydrophobicContact CB-CB 4.42Å; A25-L79 HydrophobicContact CB-CD1 4.24Å; A25-L82 HydrophobicContact CB-CD1 3.69Å
26Y95.8Very high91.8Very high5 Ų565 Ų652%0.0232%0.318CS..Hα-helixtrans-58.1-52.1175.7166.8-107.1000112G22 D23 S28 D29 L30 F76 L79 Y96 H99G22-Y26 WeakPolarHBondContact O-CB 3.3Å; G22-Y26 PolarHBondContact O-N 3.5Å; D23-Y26 PolarHBondContact O-N 3.42Å; Y26-S28 VanDerWaalsContact C-N 3.35Å; Y26-S28 PolarHBondContact O-N 3.39Å; Y26-D29 PolarHBondContact O-N 3.21Å; Y26-L30 HydrophobicContact CE1-CD2 4.16Å; Y26-L30 WeakPolarHBondContact O-CB 3.4Å; Y26-L30 PolarHBondContact O-N 3.5Å; Y26-F76 AromaticContact CD2-CD1 3.98Å; Y26-F76 HydrophobicContact CD2-CD1 3.98Å; Y26-F76 AromaticContact CD2-CE1 3.76Å; Y26-F76 HydrophobicContact CD2-CE1 3.76Å; Y26-F76 HydrophobicContact CE2-CD1 4.36Å; Y26-F76 AromaticContact CE2-CE1 3.68Å; Y26-F76 HydrophobicContact CE2-CE1 3.68Å; Y26-F76 HydrophobicContact CE2-CZ 4.14Å; Y26-L79 HydrophobicContact CD2-CD2 4.23Å; Y26-Y96 AromaticContact CD1-CD1 3.58Å; Y26-Y96 HydrophobicContact CD1-CD1 3.58Å; Y26-Y96 AromaticContact CD1-CE1 3.93Å; Y26-Y96 HydrophobicContact CD1-CE1 3.93Å; Y26-Y96 HydrophobicContact CD1-CG 4.04Å; Y26-Y96 HydrophobicContact CD2-CD1 4.25Å; Y26-Y96 HydrophobicContact CD2-CD2 4.13Å; Y26-Y96 AromaticContact CD2-CG 3.84Å; Y26-Y96 HydrophobicContact CD2-CG 3.84Å; Y26-Y96 AromaticContact CE1-CD1 3.88Å; Y26-Y96 HydrophobicContact CE1-CD1 3.88Å; Y26-Y96 HydrophobicContact CE1-CG 4.29Å; Y26-Y96 HydrophobicContact CE2-CD1 4.5Å; Y26-Y96 HydrophobicContact CE2-CG 4.09Å; Y26-Y96 AromaticContact CG-CD1 3.77Å; Y26-Y96 HydrophobicContact CG-CD1 3.77Å; Y26-Y96 HydrophobicContact CG-CD2 4.11Å; Y26-Y96 HydrophobicContact CG-CE1 4.1Å; Y26-Y96 HydrophobicContact CG-CE2 4.4Å; Y26-Y96 AromaticContact CG-CG 3.8Å; Y26-Y96 HydrophobicContact CG-CG 3.8Å; Y26-Y96 PolarHBondContact OH-O 3.1Å; Y26-H99 AromaticContact CE1-ND1 3.43Å; Y26-H99 WeakPolarHBondContact CE1-ND1 3.41Å; Y26-H99 AromaticContact CZ-ND1 3.55Å; Y26-H99 PolarHBondContact OH-ND1 3.29Å
27L96.7Very high92.4Very high63 Ų6362 Ų6233%0.3330%0.302SS..Hα-helixtrans-63.9-41.3-179.8-71.4175000111D23 D29 L30 Y31D23-L27 WeakPolarHBondContact O-CB 3.49Å; D23-L27 VanDerWaalsContact O-CG 3.27Å; D23-L27 WeakPolarHBondContact O-CG 3.47Å; D23-L27 PolarHBondContact O-N 3.27Å; L27-D29 PolarHBondContact O-N 2.87Å; L27-L30 PolarHBondContact O-N 3.01Å; L27-Y31 HydrophobicContact CB-CD2 4.2Å; L27-Y31 HydrophobicContact CB-CE2 4.32Å; L27-Y31 HydrophobicContact CD2-CE2 4.23Å; L27-Y31 WeakPolarHBondContact O-CB 3.48Å; L27-Y31 WeakPolarHBondContact O-CD2 3.41Å; L27-Y31 PolarHBondContact O-N 3.44Å
28S96.5Very high93.1Very high66 Ų6664.2 Ų64.246%0.46231%0.314SS..Hα-helixtrans-59.3-46.7177.1-174.40000111.9L24 A25 Y26 L30 F32L24-S28 WeakPolarHBondContact O-CB 3.47Å; L24-S28 PolarHBondContact O-N 3.35Å; A25-S28 PolarHBondContact O-N 3.48Å; Y26-S28 VanDerWaalsContact C-N 3.35Å; Y26-S28 PolarHBondContact O-N 3.39Å; S28-L30 VanDerWaalsContact C-N 3.28Å; S28-L30 PolarHBondContact O-N 3.41Å; S28-F32 WeakPolarHBondContact O-CB 3.29Å; S28-F32 PolarHBondContact O-N 3.11Å; S28-F32 VanDerWaalsContact O-N 3.1Å
29D97.6Very high93.6Very high5 Ų564.3 Ų64.33%0.02732%0.32CS..Hα-helixtrans-63.7-34177.6-77.1-30.2000112.9A25 Y26 L27 K33 F76 P77 N78 L79A25-D29 PolarHBondContact O-N 2.98Å; Y26-D29 PolarHBondContact O-N 3.21Å; L27-D29 PolarHBondContact O-N 2.87Å; D29-K33 PolarHBondContact O-NZ 3.04Å; D29-F76 HydrophobicContact CB-CB 4.25Å; D29-F76 HydrophobicContact CB-CD1 3.65Å; D29-F76 HydrophobicContact CB-CG 4.38Å; D29-F76 WeakPolarHBondContact OD2-CA 3.36Å; D29-F76 WeakPolarHBondContact OD2-CB 3.18Å; D29-P77 WeakPolarHBondContact OD1-CD 3.33Å; D29-N78 WeakPolarHBondContact OD1-CB 3.1Å; D29-N78 PolarHBondContact OD1-N 3.33Å; D29-N78 PolarHBondContact OD1-ND2 2.69Å; D29-N78 WeakPolarHBondContact OD2-CB 3.32Å; D29-N78 PolarHBondContact OD2-N 3.29Å; D29-L79 PolarHBondContact OD2-N 2.97Å
30L96.7Very high94Very high4 Ų461.2 Ų61.22%0.02131%0.308CS..Hα-helixtrans-75.6-48.2179.6-178.365.9000111.8Y26 L27 S28 F32 K33 F34 L100 L103Y26-L30 HydrophobicContact CE1-CD2 4.16Å; Y26-L30 WeakPolarHBondContact O-CB 3.4Å; Y26-L30 PolarHBondContact O-N 3.5Å; L27-L30 PolarHBondContact O-N 3.01Å; S28-L30 VanDerWaalsContact C-N 3.28Å; S28-L30 PolarHBondContact O-N 3.41Å; L30-F32 VanDerWaalsContact C-N 3.27Å; L30-F32 PolarHBondContact O-N 3.09Å; L30-K33 PolarHBondContact O-N 3.1Å; L30-K33 VanDerWaalsContact O-N 3.13Å; L30-F34 HydrophobicContact CD1-CD2 4.13Å; L30-F34 HydrophobicContact CD1-CE2 3.66Å; L30-F34 HydrophobicContact CD2-CE2 4.13Å; L30-F34 HydrophobicContact CG-CD2 3.88Å; L30-F34 HydrophobicContact CG-CE2 3.66Å; L30-F34 WeakPolarHBondContact O-CD2 3.49Å; L30-F34 PolarHBondContact O-N 3.49Å; L30-L100 HydrophobicContact CD1-CD2 4.08Å; L30-L103 HydrophobicContact CD1-CD1 4.41Å; L30-L103 HydrophobicContact CD2-CD1 3.69Å
31Y95.8Very high94.1Very high160 Ų16059.4 Ų59.463%0.62730%0.301SS*.Hα-helixtrans-63.8-34.2178.5-85.7-70.5000112.1L27 K33 F34 S35L27-Y31 HydrophobicContact CB-CD2 4.2Å; L27-Y31 HydrophobicContact CB-CE2 4.32Å; L27-Y31 HydrophobicContact CD2-CE2 4.23Å; L27-Y31 WeakPolarHBondContact O-CB 3.48Å; L27-Y31 WeakPolarHBondContact O-CD2 3.41Å; L27-Y31 PolarHBondContact O-N 3.44Å; Y31-K33 VanDerWaalsContact C-N 3.31Å; Y31-K33 PolarHBondContact O-N 3.3Å; Y31-F34 PolarHBondContact O-N 3.37Å; Y31-S35 WeakPolarHBondContact O-CB 3.21Å; Y31-S35 PolarHBondContact O-N 3.32Å
32F96.5Very high94Very high125 Ų12562.9 Ų62.955%0.54832%0.318SS..Hα-helixtrans-55.4-47.2171.7-178.2-95.5000111.5S28 L30 S35 E36S28-F32 WeakPolarHBondContact O-CB 3.29Å; S28-F32 PolarHBondContact O-N 3.11Å; S28-F32 VanDerWaalsContact O-N 3.1Å; L30-F32 VanDerWaalsContact C-N 3.27Å; L30-F32 PolarHBondContact O-N 3.09Å; F32-S35 WeakPolarHBondContact O-CB 3.42Å; F32-S35 PolarHBondContact O-N 2.92Å; F32-E36 HydrophobicContact CD1-CG 4.37Å; F32-E36 HydrophobicContact CE1-CG 3.96Å; F32-E36 WeakPolarHBondContact CE1-OE2 3.2Å; F32-E36 HydrophobicContact CZ-CG 4.24Å; F32-E36 PolarHBondContact O-N 3.28Å
33K95.1Very high93.3Very high31 Ų3167.8 Ų67.814%0.13534%0.343CS..Hα-helixtrans-68.4-37.9179.2-69.3164.7-177.550.30113D29 L30 Y31 S35 E36 T37 F64 Q75D29-K33 PolarHBondContact O-NZ 3.04Å; L30-K33 PolarHBondContact O-N 3.1Å; L30-K33 VanDerWaalsContact O-N 3.13Å; Y31-K33 VanDerWaalsContact C-N 3.31Å; Y31-K33 PolarHBondContact O-N 3.3Å; K33-S35 VanDerWaalsContact C-N 3.29Å; K33-E36 PolarHBondContact O-N 3.04Å; K33-T37 WeakPolarHBondContact O-CB 3.44Å; K33-T37 PolarHBondContact O-N 2.98Å; K33-T37 PolarHBondContact O-OG1 3.44Å; K33-F64 HydrophobicContact CD-CD2 4.45Å; K33-F64 HydrophobicContact CD-CE2 3.59Å; K33-F64 HydrophobicContact CD-CZ 3.77Å; K33-Q75 WeakPolarHBondContact CE-O 3.49Å; K33-Q75 PolarHBondContact NZ-O 2.91Å
34F93.8Very high92.2Very high55 Ų5571.7 Ų71.724%0.24136%0.364CS..Hα-helixtrans-63.5-39.4172.9-82.8-63000111.2L30 Y31 T37 N38 H61 L103 V107L30-F34 HydrophobicContact CD1-CD2 4.13Å; L30-F34 HydrophobicContact CD1-CE2 3.66Å; L30-F34 HydrophobicContact CD2-CE2 4.13Å; L30-F34 HydrophobicContact CG-CD2 3.88Å; L30-F34 HydrophobicContact CG-CE2 3.66Å; L30-F34 WeakPolarHBondContact O-CD2 3.49Å; L30-F34 PolarHBondContact O-N 3.49Å; Y31-F34 PolarHBondContact O-N 3.37Å; F34-T37 PolarHBondContact O-N 2.71Å; F34-N38 WeakPolarHBondContact O-CB 3.48Å; F34-N38 PolarHBondContact O-N 2.93Å; F34-H61 AromaticContact CE1-CE1 3.81Å; F34-H61 AromaticContact CE1-NE2 3.93Å; F34-H61 AromaticContact CZ-CE1 3.67Å; F34-H61 AromaticContact CZ-NE2 3.57Å; F34-L103 HydrophobicContact CE2-CD1 4.03Å; F34-L103 HydrophobicContact CZ-CD1 4.14Å; F34-L103 HydrophobicContact CZ-CD2 4.42Å; F34-V107 HydrophobicContact CE1-CG2 4.45Å
35S94.5Very high91.2Very high77 Ų7769.9 Ų69.954%0.53835%0.354SS..Hα-helixtrans-63.6-46.1175.4-178.40000111.7Y31 F32 K33 T37 N38 L39Y31-S35 WeakPolarHBondContact O-CB 3.21Å; Y31-S35 PolarHBondContact O-N 3.32Å; F32-S35 WeakPolarHBondContact O-CB 3.42Å; F32-S35 PolarHBondContact O-N 2.92Å; K33-S35 VanDerWaalsContact C-N 3.29Å; S35-T37 VanDerWaalsContact C-N 3.33Å; S35-T37 PolarHBondContact O-N 2.92Å; S35-N38 PolarHBondContact O-N 3.09Å; S35-L39 WeakPolarHBondContact O-CB 3.49Å; S35-L39 PolarHBondContact O-N 2.91Å
36E94.3Very high90.8Very high94 Ų9472 Ų7244%0.43937%0.368SS..Hα-helixtrans-58.2-44.7174-71.6-176.9115.800112F32 K33 L39 Q40F32-E36 HydrophobicContact CD1-CG 4.37Å; F32-E36 HydrophobicContact CE1-CG 3.96Å; F32-E36 WeakPolarHBondContact CE1-OE2 3.2Å; F32-E36 HydrophobicContact CZ-CG 4.24Å; F32-E36 PolarHBondContact O-N 3.28Å; K33-E36 PolarHBondContact O-N 3.04Å; E36-L39 PolarHBondContact O-N 3.34Å; E36-Q40 WeakPolarHBondContact O-CG 3.42Å; E36-Q40 PolarHBondContact O-N 3.49Å; E36-Q40 VanDerWaalsContact O-N 3.15Å
37T93.5Very high90.4Very high17 Ų1776.5 Ų76.510%0.10439%0.392CS..Hα-helixtrans-66.6-40.7178.4-54.30000111.2K33 F34 S35 L39 Q40 L41 V53 I57K33-T37 WeakPolarHBondContact O-CB 3.44Å; K33-T37 PolarHBondContact O-N 2.98Å; K33-T37 PolarHBondContact O-OG1 3.44Å; F34-T37 PolarHBondContact O-N 2.71Å; S35-T37 VanDerWaalsContact C-N 3.33Å; S35-T37 PolarHBondContact O-N 2.92Å; T37-L39 VanDerWaalsContact C-N 3.35Å; T37-Q40 WeakPolarHBondContact O-CB 3.18Å; T37-Q40 PolarHBondContact O-N 3.07Å; T37-L41 HydrophobicContact CG2-CD1 4.27Å; T37-L41 WeakPolarHBondContact O-CG 3.35Å; T37-L41 PolarHBondContact O-N 2.77Å; T37-V53 HydrophobicContact CG2-CG1 3.76Å; T37-I57 HydrophobicContact CG2-CB 4.09Å; T37-I57 HydrophobicContact CG2-CG1 4.25Å; T37-I57 HydrophobicContact CG2-CG2 4.2Å
38N92Very high90Very high78 Ų7875 Ų7542%0.41738%0.384SS..Hα-helixtrans-65.8-39.1178.6-172.575.8000111.4F34 S35 Q40 L41 Q42F34-N38 WeakPolarHBondContact O-CB 3.48Å; F34-N38 PolarHBondContact O-N 2.93Å; S35-N38 PolarHBondContact O-N 3.09Å; N38-Q40 VanDerWaalsContact C-N 3.3Å; N38-Q40 PolarHBondContact O-N 3.15Å; N38-L41 PolarHBondContact O-N 3.46Å; N38-L41 VanDerWaalsContact O-N 3.13Å; N38-Q42 PolarHBondContact ND2-NE2 3.39Å; N38-Q42 VanDerWaalsContact ND2-NE2 3.12Å; N38-Q42 PolarHBondContact ND2-OE1 2.92Å; N38-Q42 WeakPolarHBondContact O-CG 3.49Å; N38-Q42 PolarHBondContact O-N 3.49Å
39L92.6Very high89.7Confident122 Ų12275.3 Ų75.364%0.63938%0.377SS*.Hα-helixtrans-60.8-41.8174.1-175.764.7000111.2S35 E36 T37 L41 Q42S35-L39 WeakPolarHBondContact O-CB 3.49Å; S35-L39 PolarHBondContact O-N 2.91Å; E36-L39 PolarHBondContact O-N 3.34Å; T37-L39 VanDerWaalsContact C-N 3.35Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 2.96Å; L39-Q42 PolarHBondContact O-N 3.26Å
40Q91.8Very high89.4Confident96 Ų9676.3 Ų76.345%0.44938%0.384SS..Hα-helixtrans-61.5-41.3173.7-68.5174.614.700111.5E36 T37 N38 Q42 L45 V53E36-Q40 WeakPolarHBondContact O-CG 3.42Å; E36-Q40 PolarHBondContact O-N 3.49Å; E36-Q40 VanDerWaalsContact O-N 3.15Å; T37-Q40 WeakPolarHBondContact O-CB 3.18Å; T37-Q40 PolarHBondContact O-N 3.07Å; N38-Q40 VanDerWaalsContact C-N 3.3Å; N38-Q40 PolarHBondContact O-N 3.15Å; Q40-Q42 VanDerWaalsContact C-N 3.34Å; Q40-Q42 PolarHBondContact O-N 3.26Å; Q40-L45 WeakPolarHBondContact O-CD1 3.49Å; Q40-L45 WeakPolarHBondContact O-CD2 3.45Å; Q40-L45 VanDerWaalsContact O-CG 3.31Å; Q40-L45 WeakPolarHBondContact O-CG 3.4Å; Q40-V53 HydrophobicContact CB-CG1 4.05Å; Q40-V53 HydrophobicContact CB-CG2 4.03Å
41L90.9Very high89.3Confident42 Ų4278.2 Ų78.222%0.2239%0.392CS..Hα-helixtrans-73.5-19.3-179.1-70174.2000115T37 N38 L39 L45 T50 V53 V54T37-L41 HydrophobicContact CG2-CD1 4.27Å; T37-L41 WeakPolarHBondContact O-CG 3.35Å; T37-L41 PolarHBondContact O-N 2.77Å; N38-L41 PolarHBondContact O-N 3.46Å; N38-L41 VanDerWaalsContact O-N 3.13Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 2.96Å; L41-L45 HydrophobicContact CD2-CD1 4.09Å; L41-T50 HydrophobicContact CD2-CG2 3.99Å; L41-V53 HydrophobicContact CD2-CB 4.03Å; L41-V53 HydrophobicContact CD2-CG1 3.79Å; L41-V53 HydrophobicContact CG-CG1 3.87Å; L41-V54 HydrophobicContact CD2-CG2 4.31Å
42Q86.8Confident89.2Confident138 Ų13875.2 Ų75.265%0.64539%0.386SS*.Hα-helixtrans-88.3-12.6179.3-77.3178.1-27.700113.6N38 L39 Q40N38-Q42 PolarHBondContact ND2-NE2 3.39Å; N38-Q42 VanDerWaalsContact ND2-NE2 3.12Å; N38-Q42 PolarHBondContact ND2-OE1 2.92Å; N38-Q42 WeakPolarHBondContact O-CG 3.49Å; N38-Q42 PolarHBondContact O-N 3.49Å; L39-Q42 PolarHBondContact O-N 3.26Å; Q40-Q42 VanDerWaalsContact C-N 3.34Å; Q40-Q42 PolarHBondContact O-N 3.26Å
43D78.2Confident89.1Confident108 Ų10870.1 Ų70.158%0.57837%0.366SS*.SBendtrans-66.9165.9173.4-166.819.7000110.9L45D43-L45 HydrophobicContact CB-CD2 4.02Å; D43-L45 HydrophobicContact CB-CG 4.32Å; D43-L45 WeakPolarHBondContact O-CG 3.31Å; D43-L45 PolarHBondContact O-N 3.5Å
44D70.9Confident89.1Confident133 Ų13368.7 Ų68.771%0.71136%0.359SS*.SBendtrans-70.475.1177.2-153.21.3000110
45L72.1Confident89.2Confident36 Ų3667.9 Ų67.919%0.18836%0.361CS..  trans-89.1130.2-169.8-69.1-166.6000111.3Q40 L41 D43 K49Q40-L45 WeakPolarHBondContact O-CD1 3.49Å; Q40-L45 WeakPolarHBondContact O-CD2 3.45Å; Q40-L45 VanDerWaalsContact O-CG 3.31Å; Q40-L45 WeakPolarHBondContact O-CG 3.4Å; L41-L45 HydrophobicContact CD2-CD1 4.09Å; D43-L45 HydrophobicContact CB-CD2 4.02Å; D43-L45 HydrophobicContact CB-CG 4.32Å; D43-L45 WeakPolarHBondContact O-CG 3.31Å; D43-L45 PolarHBondContact O-N 3.5Å; L45-K49 HydrophobicContact CB-CB 4.22Å; L45-K49 HydrophobicContact CD1-CB 4.42Å; L45-K49 HydrophobicContact CD2-CB 3.76Å; L45-K49 HydrophobicContact CD2-CD 3.68Å; L45-K49 HydrophobicContact CD2-CG 4.39Å; L45-K49 HydrophobicContact CG-CB 4.37Å
46S84.7Confident89.3Confident56 Ų5666.1 Ų66.139%0.39235%0.351SS..  trans-64.7153.7158.6730000110.4I48 K49 T50S46-I48 PolarHBondContact O-N 2.97Å; S46-I48 VanDerWaalsContact O-N 3.07Å; S46-K49 WeakPolarHBondContact O-CA 3.42Å; S46-K49 WeakPolarHBondContact O-CB 3.46Å; S46-K49 PolarHBondContact O-N 3Å; S46-K49 PolarHBondContact OG-N 2.89Å; S46-T50 PolarHBondContact O-N 3.38Å; S46-T50 PolarHBondContact O-OG1 3.46Å
47L87.8Confident89.4Confident101 Ų10162.1 Ų62.153%0.52933%0.333SS..Hα-helixtrans-56.1-29.8176.9-170.360.1000112.5T50 K51 M117L47-T50 PolarHBondContact O-N 3.35Å; L47-K51 WeakPolarHBondContact O-CB 3.49Å; L47-K51 PolarHBondContact O-N 2.92Å; L47-M117 HydrophobicContact CB-CE 4.48Å; L47-M117 HydrophobicContact CB-SD 4.31Å; L47-M117 HydrophobicContact CD2-CE 4.31Å; L47-M117 HydrophobicContact CD2-SD 3.24Å; L47-M117 WeakPolarHBondContact CD2-SD 3.44Å; L47-M117 HydrophobicContact CG-CE 3.8Å; L47-M117 HydrophobicContact CG-SD 3.41Å; L47-M117 WeakPolarHBondContact CG-SD 3.35Å; L47-M117 WeakPolarHBondContact O-CE 3.4Å
48I88.4Confident89.5Confident30 Ų3062.2 Ų62.215%0.15433%0.333CS..Hα-helixtrans-64.8-48173.2-62.2167.8000110.8S46 T50 K51 N52 V119 M123 L124S46-I48 PolarHBondContact O-N 2.97Å; S46-I48 VanDerWaalsContact O-N 3.07Å; I48-T50 VanDerWaalsContact C-N 3.34Å; I48-T50 PolarHBondContact O-N 3.13Å; I48-K51 PolarHBondContact O-N 3.33Å; I48-N52 VanDerWaalsContact O-CG 3.27Å; I48-N52 PolarHBondContact O-N 3.12Å; I48-V119 HydrophobicContact CD1-CG1 4.16Å; I48-V119 HydrophobicContact CG1-CG1 4.15Å; I48-V119 HydrophobicContact CG1-CG2 4.25Å; I48-V119 HydrophobicContact CG2-CG1 4.49Å; I48-M123 HydrophobicContact CD1-CB 4.14Å; I48-L124 HydrophobicContact CD1-CD2 4.2Å; I48-L124 HydrophobicContact CG2-CD2 4.09Å
49K89.1Confident89.7Confident73 Ų7362.4 Ų62.432%0.31734%0.34SS..Hα-helixtrans-62.2-43.6176.6-66.3179.7-175.7172.60110.7L45 S46 K51 N52 V53 S159L45-K49 HydrophobicContact CB-CB 4.22Å; L45-K49 HydrophobicContact CD1-CB 4.42Å; L45-K49 HydrophobicContact CD2-CB 3.76Å; L45-K49 HydrophobicContact CD2-CD 3.68Å; L45-K49 HydrophobicContact CD2-CG 4.39Å; L45-K49 HydrophobicContact CG-CB 4.37Å; S46-K49 WeakPolarHBondContact O-CA 3.42Å; S46-K49 WeakPolarHBondContact O-CB 3.46Å; S46-K49 PolarHBondContact O-N 3Å; S46-K49 PolarHBondContact OG-N 2.89Å; K49-K51 VanDerWaalsContact C-N 3.33Å; K49-K51 PolarHBondContact O-N 3.3Å; K49-N52 WeakPolarHBondContact O-CB 3.41Å; K49-N52 PolarHBondContact O-N 3.47Å; K49-N52 VanDerWaalsContact O-N 3.09Å; K49-V53 WeakPolarHBondContact O-CG2 3.39Å; K49-V53 PolarHBondContact O-N 2.67Å; K49-S159 PolarHBondContact NZ-OG 3.18Å
50T92.3Very high89.8Confident27 Ų2761.5 Ų61.517%0.16633%0.331CS..Hα-helixtrans-56.1-47.2174.8-57.60000111.2L41 S46 L47 I48 N52 V53 V54 V114L41-T50 HydrophobicContact CD2-CG2 3.99Å; S46-T50 PolarHBondContact O-N 3.38Å; S46-T50 PolarHBondContact O-OG1 3.46Å; L47-T50 PolarHBondContact O-N 3.35Å; I48-T50 VanDerWaalsContact C-N 3.34Å; I48-T50 PolarHBondContact O-N 3.13Å; T50-N52 VanDerWaalsContact C-N 3.33Å; T50-N52 PolarHBondContact O-N 2.84Å; T50-V53 PolarHBondContact O-N 2.97Å; T50-V54 HydrophobicContact CG2-CG2 4.35Å; T50-V54 WeakPolarHBondContact O-CB 3.44Å; T50-V54 VanDerWaalsContact O-CG2 3.25Å; T50-V54 WeakPolarHBondContact O-CG2 3.13Å; T50-V54 PolarHBondContact O-N 3.42Å; T50-V114 HydrophobicContact CG2-CG1 4.16Å
51K94.1Very high89.9Confident43 Ų4357 Ų5719%0.18731%0.31CS..Hα-helixtrans-59-43.6175.1179.9179.6176.5-173.40112.2L47 I48 K49 S55 V114 M117 V119L47-K51 WeakPolarHBondContact O-CB 3.49Å; L47-K51 PolarHBondContact O-N 2.92Å; I48-K51 PolarHBondContact O-N 3.33Å; K49-K51 VanDerWaalsContact C-N 3.33Å; K49-K51 PolarHBondContact O-N 3.3Å; K51-S55 WeakPolarHBondContact O-CB 3.49Å; K51-S55 PolarHBondContact O-N 3.4Å; K51-S55 PolarHBondContact O-OG 3.44Å; K51-V114 HydrophobicContact CB-CG1 3.85Å; K51-V114 HydrophobicContact CG-CG1 4.44Å; K51-V114 WeakPolarHBondContact CG-O 3.49Å; K51-M117 HydrophobicContact CB-CE 3.67Å; K51-M117 HydrophobicContact CD-CB 4.46Å; K51-M117 HydrophobicContact CD-CE 3.66Å; K51-M117 WeakPolarHBondContact CE-O 3.24Å; K51-M117 HydrophobicContact CG-CE 4.24Å; K51-M117 PolarHBondContact NZ-O 3.41Å; K51-V119 HydrophobicContact CD-CG2 3.92Å
52N93.9Very high90Very high97 Ų9759.1 Ų59.152%0.51932%0.321SS..Hα-helixtrans-62.1-46.9179.3-68.7-15.5000111.7I48 K49 T50 S55 A56I48-N52 VanDerWaalsContact O-CG 3.27Å; I48-N52 PolarHBondContact O-N 3.12Å; K49-N52 WeakPolarHBondContact O-CB 3.41Å; K49-N52 PolarHBondContact O-N 3.47Å; K49-N52 VanDerWaalsContact O-N 3.09Å; T50-N52 VanDerWaalsContact C-N 3.33Å; T50-N52 PolarHBondContact O-N 2.84Å; N52-S55 PolarHBondContact O-N 2.67Å; N52-A56 WeakPolarHBondContact O-CB 3.46Å; N52-A56 PolarHBondContact O-N 3.25Å
53V95Very high90.5Very high18 Ų1856.1 Ų56.111%0.10931%0.309CS..Hα-helixtrans-62-48.8178.2175.30000111T37 Q40 L41 K49 T50 S55 A56 I57T37-V53 HydrophobicContact CG2-CG1 3.76Å; Q40-V53 HydrophobicContact CB-CG1 4.05Å; Q40-V53 HydrophobicContact CB-CG2 4.03Å; L41-V53 HydrophobicContact CD2-CB 4.03Å; L41-V53 HydrophobicContact CD2-CG1 3.79Å; L41-V53 HydrophobicContact CG-CG1 3.87Å; K49-V53 WeakPolarHBondContact O-CG2 3.39Å; K49-V53 PolarHBondContact O-N 2.67Å; T50-V53 PolarHBondContact O-N 2.97Å; V53-S55 PolarHBondContact O-N 3.36Å; V53-A56 PolarHBondContact O-N 2.8Å; V53-I57 PolarHBondContact O-N 2.95Å
54V94.9Very high91.4Very high1 Ų151.5 Ų51.51%0.00628%0.284CS..Hα-helixtrans-62-43.4178.3173.30000111.3L41 T50 A56 I57 V58 Y111 V114 L115L41-V54 HydrophobicContact CD2-CG2 4.31Å; T50-V54 HydrophobicContact CG2-CG2 4.35Å; T50-V54 WeakPolarHBondContact O-CB 3.44Å; T50-V54 VanDerWaalsContact O-CG2 3.25Å; T50-V54 WeakPolarHBondContact O-CG2 3.13Å; T50-V54 PolarHBondContact O-N 3.42Å; V54-A56 VanDerWaalsContact C-N 3.34Å; V54-A56 PolarHBondContact O-N 3.01Å; V54-I57 WeakPolarHBondContact O-CG2 3.48Å; V54-I57 PolarHBondContact O-N 3.3Å; V54-V58 HydrophobicContact CG1-CG2 4.46Å; V54-V58 WeakPolarHBondContact O-CB 3.32Å; V54-V58 VanDerWaalsContact O-CG2 3.25Å; V54-V58 WeakPolarHBondContact O-CG2 3.33Å; V54-V58 PolarHBondContact O-N 3.4Å; V54-Y111 HydrophobicContact CB-CG 4.5Å; V54-Y111 VanDerWaalsContact CG1-CB 3.45Å; V54-Y111 HydrophobicContact CG1-CD1 4.39Å; V54-Y111 HydrophobicContact CG1-CD2 4.09Å; V54-Y111 HydrophobicContact CG1-CG 3.75Å; V54-Y111 HydrophobicContact CG2-CD1 3.69Å; V54-Y111 HydrophobicContact CG2-CD2 4.25Å; V54-Y111 HydrophobicContact CG2-CE1 3.98Å; V54-Y111 HydrophobicContact CG2-CG 3.83Å; V54-V114 HydrophobicContact CG2-CG1 4.49Å; V54-L115 HydrophobicContact CG1-CD1 4.31Å; V54-L115 HydrophobicContact CG1-CD2 3.8Å; V54-L115 HydrophobicContact CG1-CG 3.87Å
55S96Very high92.6Very high38 Ų3848.7 Ų48.727%0.26627%0.266SS..Hα-helixtrans-63.2-43.5178.8-58.70000110.6K51 N52 V53 V58 S59K51-S55 WeakPolarHBondContact O-CB 3.49Å; K51-S55 PolarHBondContact O-N 3.4Å; K51-S55 PolarHBondContact O-OG 3.44Å; N52-S55 PolarHBondContact O-N 2.67Å; V53-S55 PolarHBondContact O-N 3.36Å; S55-V58 PolarHBondContact O-N 2.95Å; S55-S59 PolarHBondContact O-N 3.37Å; S55-S59 PolarHBondContact O-OG 2.78Å
56A96.5Very high93.8Very high41 Ų4151.8 Ų51.834%0.33928%0.279SS..Hα-helixtrans-61.6-46.5177.600000112.3N52 V53 V54 V58 S59 K60N52-A56 WeakPolarHBondContact O-CB 3.46Å; N52-A56 PolarHBondContact O-N 3.25Å; V53-A56 PolarHBondContact O-N 2.8Å; V54-A56 VanDerWaalsContact C-N 3.34Å; V54-A56 PolarHBondContact O-N 3.01Å; A56-V58 PolarHBondContact O-N 3.2Å; A56-S59 PolarHBondContact O-N 2.94Å; A56-K60 VanDerWaalsContact O-CB 3.27Å; A56-K60 WeakPolarHBondContact O-CB 3.2Å; A56-K60 WeakPolarHBondContact O-CG 3.48Å; A56-K60 PolarHBondContact O-N 3.49Å
57I95.2Very high94.3Very high10 Ų1050.5 Ų50.55%0.05127%0.268CS..Hα-helixtrans-67.2-36.2179.7-17059.6000112.1T37 V53 V54 K60 H61 V107T37-I57 HydrophobicContact CG2-CB 4.09Å; T37-I57 HydrophobicContact CG2-CG1 4.25Å; T37-I57 HydrophobicContact CG2-CG2 4.2Å; V53-I57 PolarHBondContact O-N 2.95Å; V54-I57 WeakPolarHBondContact O-CG2 3.48Å; V54-I57 PolarHBondContact O-N 3.3Å; I57-K60 PolarHBondContact O-N 2.84Å; I57-H61 PolarHBondContact O-N 3.39Å; I57-H61 PolarHBondContact O-ND1 3.17Å; I57-V107 HydrophobicContact CG2-CG1 4.32Å
58V95.6Very high94.6Very high18 Ų1845.7 Ų45.711%0.10924%0.243CC..Hα-helixtrans-62-48174.8168.40000111V54 S55 A56 H61 L62 V107 L115V54-V58 HydrophobicContact CG1-CG2 4.46Å; V54-V58 WeakPolarHBondContact O-CB 3.32Å; V54-V58 VanDerWaalsContact O-CG2 3.25Å; V54-V58 WeakPolarHBondContact O-CG2 3.33Å; V54-V58 PolarHBondContact O-N 3.4Å; S55-V58 PolarHBondContact O-N 2.95Å; A56-V58 PolarHBondContact O-N 3.2Å; V58-H61 PolarHBondContact O-N 3.42Å; V58-L62 PolarHBondContact O-N 3.4Å; V58-V107 HydrophobicContact CG2-CG1 3.93Å; V58-L115 HydrophobicContact CG2-CD1 4.24Å
59S96.1Very high94.8Very high82 Ų8247.6 Ų47.657%0.57326%0.263SS*.Hα-helixtrans-64-41.8175.9-63.90000112.2S55 A56 H61 L62 L63S55-S59 PolarHBondContact O-N 3.37Å; S55-S59 PolarHBondContact O-OG 2.78Å; A56-S59 PolarHBondContact O-N 2.94Å; S59-H61 PolarHBondContact O-N 2.86Å; S59-L62 PolarHBondContact O-N 3.48Å; S59-L63 PolarHBondContact O-N 3.24Å; S59-L63 VanDerWaalsContact O-N 3.17Å
60K96.1Very high95.1Very high104 Ų10450.5 Ų50.545%0.45228%0.281SS..Hα-helixtrans-61.2-42.7177.5-80.1175.1179.9-179.80112.1A56 I57 L62 L63 F64A56-K60 VanDerWaalsContact O-CB 3.27Å; A56-K60 WeakPolarHBondContact O-CB 3.2Å; A56-K60 WeakPolarHBondContact O-CG 3.48Å; A56-K60 PolarHBondContact O-N 3.49Å; I57-K60 PolarHBondContact O-N 2.84Å; K60-L62 VanDerWaalsContact C-N 3.28Å; K60-L62 PolarHBondContact O-N 3.23Å; K60-L63 WeakPolarHBondContact O-CB 3.49Å; K60-L63 PolarHBondContact O-N 3.49Å; K60-L63 VanDerWaalsContact O-N 3.15Å; K60-F64 HydrophobicContact CB-CE1 3.89Å; K60-F64 HydrophobicContact CB-CE2 4.11Å; K60-F64 HydrophobicContact CB-CZ 3.63Å; K60-F64 HydrophobicContact CD-CZ 4.32Å; K60-F64 HydrophobicContact CG-CE1 4.34Å; K60-F64 HydrophobicContact CG-CZ 4.22Å; K60-F64 WeakPolarHBondContact O-CD1 3.35Å; K60-F64 WeakPolarHBondContact O-CG 3.36Å; K60-F64 PolarHBondContact O-N 3.05Å
61H93.7Very high95Very high2 Ų250 Ų501%0.00928%0.282CS..Hα-helixtrans-58.7-39.1177.2-74.9156000113.1F34 I57 V58 S59 F64 K65 H104F34-H61 AromaticContact CE1-CE1 3.81Å; F34-H61 AromaticContact CE1-NE2 3.93Å; F34-H61 AromaticContact CZ-CE1 3.67Å; F34-H61 AromaticContact CZ-NE2 3.57Å; I57-H61 PolarHBondContact O-N 3.39Å; I57-H61 PolarHBondContact O-ND1 3.17Å; V58-H61 PolarHBondContact O-N 3.42Å; S59-H61 PolarHBondContact O-N 2.86Å; H61-F64 PolarHBondContact O-N 3.02Å; H61-K65 PolarHBondContact O-N 3.06Å; H61-K65 VanDerWaalsContact O-N 3.13Å; H61-H104 HydrophobicContact CB-CB 4.24Å
62L93.7Very high95Very high85 Ų8551.4 Ų51.445%0.44529%0.289SS..Hα-helixtrans-65.1-44.9175.9-177.361.8000111.2V58 S59 K60 K65 Q66V58-L62 PolarHBondContact O-N 3.4Å; S59-L62 PolarHBondContact O-N 3.48Å; K60-L62 VanDerWaalsContact C-N 3.28Å; K60-L62 PolarHBondContact O-N 3.23Å; L62-K65 PolarHBondContact O-N 2.69Å; L62-Q66 WeakPolarHBondContact O-CG 3.25Å; L62-Q66 PolarHBondContact O-N 3.13Å
63L96.4Very high95Very high75 Ų7547.8 Ų47.839%0.39327%0.269SS..Hα-helixtrans-61.1-44176.1178.764.6000111.9S59 K60 K65 Q66 N67S59-L63 PolarHBondContact O-N 3.24Å; S59-L63 VanDerWaalsContact O-N 3.17Å; K60-L63 WeakPolarHBondContact O-CB 3.49Å; K60-L63 PolarHBondContact O-N 3.49Å; K60-L63 VanDerWaalsContact O-N 3.15Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.41Å; L63-Q66 PolarHBondContact O-N 3.45Å; L63-N67 PolarHBondContact O-N 3.35Å
64F96.8Very high94.9Very high12 Ų1255 Ų555%0.05330%0.295CS..Hα-helixtrans-59.2-43.2178.7-62.3-10000111.1K33 K60 H61 L68 Q75 F76 L100K33-F64 HydrophobicContact CD-CD2 4.45Å; K33-F64 HydrophobicContact CD-CE2 3.59Å; K33-F64 HydrophobicContact CD-CZ 3.77Å; K60-F64 HydrophobicContact CB-CE1 3.89Å; K60-F64 HydrophobicContact CB-CE2 4.11Å; K60-F64 HydrophobicContact CB-CZ 3.63Å; K60-F64 HydrophobicContact CD-CZ 4.32Å; K60-F64 HydrophobicContact CG-CE1 4.34Å; K60-F64 HydrophobicContact CG-CZ 4.22Å; K60-F64 WeakPolarHBondContact O-CD1 3.35Å; K60-F64 WeakPolarHBondContact O-CG 3.36Å; K60-F64 PolarHBondContact O-N 3.05Å; H61-F64 PolarHBondContact O-N 3.02Å; F64-L68 WeakPolarHBondContact O-CB 3.48Å; F64-L68 PolarHBondContact O-N 3.41Å; F64-Q75 HydrophobicContact CD1-CB 3.78Å; F64-Q75 HydrophobicContact CD1-CG 3.58Å; F64-Q75 HydrophobicContact CE1-CB 3.89Å; F64-Q75 HydrophobicContact CE1-CG 3.55Å; F64-Q75 HydrophobicContact CG-CB 4.42Å; F64-F76 HydrophobicContact CB-CE2 3.94Å; F64-F76 HydrophobicContact CB-CZ 4.06Å; F64-F76 HydrophobicContact CD2-CZ 4.42Å; F64-F76 HydrophobicContact CG-CE2 4.4Å; F64-F76 HydrophobicContact CG-CZ 4.4Å; F64-L100 HydrophobicContact CB-CD1 4.02Å; F64-L100 HydrophobicContact CB-CD2 4.49Å
65K96Very high94.9Very high74 Ų7456.9 Ų56.932%0.32230%0.304SS..Hα-helixtrans-61.7-48.5175.9178.8-169.4175.9172.80111.3H61 L62 L63 L68 A69 C97 L100 S101H61-K65 PolarHBondContact O-N 3.06Å; H61-K65 VanDerWaalsContact O-N 3.13Å; L62-K65 PolarHBondContact O-N 2.69Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.41Å; K65-L68 PolarHBondContact O-N 3.1Å; K65-A69 WeakPolarHBondContact O-CB 3.4Å; K65-A69 PolarHBondContact O-N 3.4Å; K65-C97 HydrophobicContact CG-CB 4.23Å; K65-L100 HydrophobicContact CB-CB 4.24Å; K65-L100 HydrophobicContact CB-CD1 4.23Å; K65-S101 VanDerWaalsContact CD-OG 3.29Å; K65-S101 WeakPolarHBondContact CD-OG 3.42Å; K65-S101 WeakPolarHBondContact CE-OG 3.38Å; K65-S101 PolarHBondContact NZ-OG 3.33Å
66Q96.5Very high94.9Very high101 Ų10155 Ų5547%0.47229%0.291SS..Hα-helixtrans-60-48.8-178.6-73.1170-20.200111.3L62 L63 L68 A69 L70L62-Q66 WeakPolarHBondContact O-CG 3.25Å; L62-Q66 PolarHBondContact O-N 3.13Å; L63-Q66 PolarHBondContact O-N 3.45Å; Q66-L68 PolarHBondContact O-N 3.48Å; Q66-A69 PolarHBondContact O-N 2.91Å; Q66-L70 WeakPolarHBondContact O-CG 3.2Å; Q66-L70 PolarHBondContact O-N 2.81Å; Q66-L70 VanDerWaalsContact O-N 3.08Å
67N96Very high94.8Very high28 Ų2857.1 Ų57.115%0.1530%0.301CS..Hα-helixtrans-62.1-46.4178.2-69.3-12.5000111.2L63 A69 L70 G71 E72 Q75L63-N67 PolarHBondContact O-N 3.35Å; N67-A69 VanDerWaalsContact C-N 3.31Å; N67-A69 PolarHBondContact O-N 3.31Å; N67-L70 CarbonylContact O-C 3.51Å; N67-L70 WeakPolarHBondContact O-CA 3.38Å; N67-L70 PolarHBondContact O-N 3.04Å; N67-G71 PolarHBondContact O-N 3.34Å; N67-G71 VanDerWaalsContact O-N 3.14Å; N67-E72 CarbonylContact C-O 3.43Å; N67-E72 VanDerWaalsContact C-O 3.29Å; N67-E72 HydrophobicContact CB-CB 4.02Å; N67-E72 WeakPolarHBondContact O-CA 3.27Å; N67-E72 WeakPolarHBondContact O-CB 2.98Å; N67-E72 PolarHBondContact O-N 3.44Å; N67-Q75 PolarHBondContact ND2-NE2 3.1Å; N67-Q75 PolarHBondContact ND2-OE1 3.11Å
68L94.3Very high94.8Very high1 Ų160.8 Ų60.81%0.00532%0.321CS..Hα-helixtrans-61.8-39.7-179.8-170.761.7000111.9F64 K65 Q66 L70 G71 F73 L79 V93 L100F64-L68 WeakPolarHBondContact O-CB 3.48Å; F64-L68 PolarHBondContact O-N 3.41Å; K65-L68 PolarHBondContact O-N 3.1Å; Q66-L68 PolarHBondContact O-N 3.48Å; L68-L70 VanDerWaalsContact C-N 3.3Å; L68-L70 PolarHBondContact O-N 3.24Å; L68-G71 WeakPolarHBondContact O-CA 3.21Å; L68-G71 PolarHBondContact O-N 3.06Å; L68-F73 HydrophobicContact CD1-CD1 3.77Å; L68-F73 HydrophobicContact CD1-CE1 3.34Å; L68-F73 HydrophobicContact CD1-CE2 4.5Å; L68-F73 HydrophobicContact CD1-CZ 3.76Å; L68-L79 HydrophobicContact CD1-CD2 4.08Å; L68-V93 HydrophobicContact CD1-CG1 4.01Å; L68-V93 HydrophobicContact CG-CG1 3.81Å; L68-V93 VanDerWaalsContact O-CG1 3.31Å; L68-V93 WeakPolarHBondContact O-CG1 3.42Å; L68-L100 HydrophobicContact CD2-CD1 4.04Å
69A93.6Very high94.7Very high70 Ų7060 Ų6058%0.57932%0.316SS*.Hα-helixtrans-65.7-30.5175.200000113.2K65 Q66 N67 G71K65-A69 WeakPolarHBondContact O-CB 3.4Å; K65-A69 PolarHBondContact O-N 3.4Å; Q66-A69 PolarHBondContact O-N 2.91Å; N67-A69 VanDerWaalsContact C-N 3.31Å; N67-A69 PolarHBondContact O-N 3.31Å; A69-G71 PolarHBondContact O-N 3.47Å
70L93.6Very high94.6Very high133 Ų13356.7 Ų56.770%0.69630%0.295SS*.THydrogen-bonded Turntrans-79.7-2.2171.4-65.7172.6000112.7Q66 N67 L68 E72Q66-L70 WeakPolarHBondContact O-CG 3.2Å; Q66-L70 PolarHBondContact O-N 2.81Å; Q66-L70 VanDerWaalsContact O-N 3.08Å; N67-L70 CarbonylContact O-C 3.51Å; N67-L70 WeakPolarHBondContact O-CA 3.38Å; N67-L70 PolarHBondContact O-N 3.04Å; L68-L70 VanDerWaalsContact C-N 3.3Å; L68-L70 PolarHBondContact O-N 3.24Å; L70-E72 VanDerWaalsContact C-N 3.32Å; L70-E72 HydrophobicContact CB-CG 4.16Å
71G91.2Very high94.3Very high18 Ų1853.5 Ų53.519%0.18629%0.292CS..THydrogen-bonded Turntrans7522.9-176.200000113.6N67 L68 A69 F73 K83N67-G71 PolarHBondContact O-N 3.34Å; N67-G71 VanDerWaalsContact O-N 3.14Å; L68-G71 WeakPolarHBondContact O-CA 3.21Å; L68-G71 PolarHBondContact O-N 3.06Å; A69-G71 PolarHBondContact O-N 3.47Å; G71-F73 WeakPolarHBondContact O-CD2 3.2Å; G71-F73 WeakPolarHBondContact O-CE2 3.25Å; G71-K83 PolarHBondContact O-NZ 3.26Å
72E93.4Very high94.1Very high72 Ų7255 Ų5534%0.33630%0.3SS..  trans-99118.5176.6-63-59.3149.700110.6N67 L70 Y74N67-E72 CarbonylContact C-O 3.43Å; N67-E72 VanDerWaalsContact C-O 3.29Å; N67-E72 HydrophobicContact CB-CB 4.02Å; N67-E72 WeakPolarHBondContact O-CA 3.27Å; N67-E72 WeakPolarHBondContact O-CB 2.98Å; N67-E72 PolarHBondContact O-N 3.44Å; L70-E72 VanDerWaalsContact C-N 3.32Å; L70-E72 HydrophobicContact CB-CG 4.16Å; E72-Y74 HydrophobicContact CB-CD2 3.91Å; E72-Y74 HydrophobicContact CB-CE2 3.67Å; E72-Y74 HydrophobicContact CG-CE2 3.97Å; E72-Y74 WeakPolarHBondContact OE2-CE2 3.26Å; E72-Y74 PolarHBondContact OE2-OH 3.32Å
73F93.6Very high93.4Very high20 Ų2055.1 Ų55.19%0.08830%0.297CS..  trans-108.620.6-169-66.6-102000113.2L68 G71 Q75 F76 L79 G80 K83 V93L68-F73 HydrophobicContact CD1-CD1 3.77Å; L68-F73 HydrophobicContact CD1-CE1 3.34Å; L68-F73 HydrophobicContact CD1-CE2 4.5Å; L68-F73 HydrophobicContact CD1-CZ 3.76Å; G71-F73 WeakPolarHBondContact O-CD2 3.2Å; G71-F73 WeakPolarHBondContact O-CE2 3.25Å; F73-Q75 PolarHBondContact O-N 3.38Å; F73-Q75 VanDerWaalsContact O-N 3.1Å; F73-F76 CarbonylContact O-C 3.59Å; F73-F76 VanDerWaalsContact O-C 3.3Å; F73-F76 PolarHBondContact O-N 2.88Å; F73-L79 HydrophobicContact CD1-CB 4.12Å; F73-L79 HydrophobicContact CD1-CD2 3.73Å; F73-L79 HydrophobicContact CD1-CG 3.78Å; F73-L79 HydrophobicContact CE1-CD2 3.56Å; F73-L79 HydrophobicContact CE1-CG 3.73Å; F73-G80 VanDerWaalsContact CB-CA 3.5Å; F73-K83 HydrophobicContact CD2-CD 3.53Å; F73-K83 HydrophobicContact CE2-CB 4.44Å; F73-K83 HydrophobicContact CE2-CD 3.02Å; F73-K83 HydrophobicContact CE2-CG 4.29Å; F73-K83 HydrophobicContact CZ-CD 3.59Å; F73-V93 HydrophobicContact CZ-CG2 4.12Å
74Y93.4Very high92.6Very high169 Ų16960.5 Ų60.566%0.66332%0.317SS*.THydrogen-bonded Turntrans-53.2-37.3-175.5-58.1-68.7000113.4E72E72-Y74 HydrophobicContact CB-CD2 3.91Å; E72-Y74 HydrophobicContact CB-CE2 3.67Å; E72-Y74 HydrophobicContact CG-CE2 3.97Å; E72-Y74 WeakPolarHBondContact OE2-CE2 3.26Å; E72-Y74 PolarHBondContact OE2-OH 3.32Å
75Q95.4Very high91.9Very high41 Ų4164 Ų6419%0.19234%0.34CS..THydrogen-bonded Turntrans-87-7.3-179.6-60.983.818.300113.3K33 F64 N67 F73 P77K33-Q75 WeakPolarHBondContact CE-O 3.49Å; K33-Q75 PolarHBondContact NZ-O 2.91Å; F64-Q75 HydrophobicContact CD1-CB 3.78Å; F64-Q75 HydrophobicContact CD1-CG 3.58Å; F64-Q75 HydrophobicContact CE1-CB 3.89Å; F64-Q75 HydrophobicContact CE1-CG 3.55Å; F64-Q75 HydrophobicContact CG-CB 4.42Å; N67-Q75 PolarHBondContact ND2-NE2 3.1Å; N67-Q75 PolarHBondContact ND2-OE1 3.11Å; F73-Q75 PolarHBondContact O-N 3.38Å; F73-Q75 VanDerWaalsContact O-N 3.1Å; Q75-P77 WeakPolarHBondContact O-CD 3.33Å
76F95.9Very high90.9Very high0 Ų071.9 Ų71.90%037%0.367CS..  trans-124.672.2-178.4-59.9-88.9000109.8Y26 D29 F64 F73 N78 L79 G80 L100Y26-F76 AromaticContact CD2-CD1 3.98Å; Y26-F76 HydrophobicContact CD2-CD1 3.98Å; Y26-F76 AromaticContact CD2-CE1 3.76Å; Y26-F76 HydrophobicContact CD2-CE1 3.76Å; Y26-F76 HydrophobicContact CE2-CD1 4.36Å; Y26-F76 AromaticContact CE2-CE1 3.68Å; Y26-F76 HydrophobicContact CE2-CE1 3.68Å; Y26-F76 HydrophobicContact CE2-CZ 4.14Å; D29-F76 HydrophobicContact CB-CB 4.25Å; D29-F76 HydrophobicContact CB-CD1 3.65Å; D29-F76 HydrophobicContact CB-CG 4.38Å; D29-F76 WeakPolarHBondContact OD2-CA 3.36Å; D29-F76 WeakPolarHBondContact OD2-CB 3.18Å; F64-F76 HydrophobicContact CB-CE2 3.94Å; F64-F76 HydrophobicContact CB-CZ 4.06Å; F64-F76 HydrophobicContact CD2-CZ 4.42Å; F64-F76 HydrophobicContact CG-CE2 4.4Å; F64-F76 HydrophobicContact CG-CZ 4.4Å; F73-F76 CarbonylContact O-C 3.59Å; F73-F76 VanDerWaalsContact O-C 3.3Å; F73-F76 PolarHBondContact O-N 2.88Å; F76-N78 PolarHBondContact O-N 3.49Å; F76-L79 HydrophobicContact CB-CB 3.74Å; F76-L79 HydrophobicContact CB-CD2 4.22Å; F76-L79 HydrophobicContact CG-CD2 4.48Å; F76-L79 PolarHBondContact O-N 3.1Å; F76-G80 PolarHBondContact O-N 2.83Å; F76-L100 HydrophobicContact CZ-CD1 4.06Å; F76-L100 HydrophobicContact CZ-CD2 4.39Å
77P95.2Very high90Very high85 Ų8568.7 Ų68.755%0.55236%0.356SS*.Hα-helixtrans-63.1-37.1-17424.7-34.8000113.5D29 Q75 G81D29-P77 WeakPolarHBondContact OD1-CD 3.33Å; Q75-P77 WeakPolarHBondContact O-CD 3.33Å; P77-G81 PolarHBondContact O-N 3.15Å
78N94.2Very high89.3Confident87 Ų8768.2 Ų68.247%0.46535%0.353SS..Hα-helixtrans-66.6-44.2176.2-67.4-59.4000110.4A25 D29 F76 G81 L82A25-N78 HydrophobicContact CB-CB 3.93Å; D29-N78 WeakPolarHBondContact OD1-CB 3.1Å; D29-N78 PolarHBondContact OD1-N 3.33Å; D29-N78 PolarHBondContact OD1-ND2 2.69Å; D29-N78 WeakPolarHBondContact OD2-CB 3.32Å; D29-N78 PolarHBondContact OD2-N 3.29Å; F76-N78 PolarHBondContact O-N 3.49Å; N78-G81 PolarHBondContact O-N 3.17Å; N78-L82 PolarHBondContact O-N 2.97Å
79L94.1Very high88.8Confident0 Ų071.8 Ų71.80%038%0.376CS..Hα-helixtrans-67.1-43.6178.1-167.466.9000112G22 A25 Y26 D29 L68 F73 F76 G81 L82 K83 I88 Y96G22-L79 WeakPolarHBondContact O-CD1 3.4Å; A25-L79 HydrophobicContact CB-CB 4.42Å; A25-L79 HydrophobicContact CB-CD1 4.24Å; Y26-L79 HydrophobicContact CD2-CD2 4.23Å; D29-L79 PolarHBondContact OD2-N 2.97Å; L68-L79 HydrophobicContact CD1-CD2 4.08Å; F73-L79 HydrophobicContact CD1-CB 4.12Å; F73-L79 HydrophobicContact CD1-CD2 3.73Å; F73-L79 HydrophobicContact CD1-CG 3.78Å; F73-L79 HydrophobicContact CE1-CD2 3.56Å; F73-L79 HydrophobicContact CE1-CG 3.73Å; F76-L79 HydrophobicContact CB-CB 3.74Å; F76-L79 HydrophobicContact CB-CD2 4.22Å; F76-L79 HydrophobicContact CG-CD2 4.48Å; F76-L79 PolarHBondContact O-N 3.1Å; L79-G81 VanDerWaalsContact C-N 3.26Å; L79-G81 PolarHBondContact O-N 3.42Å; L79-L82 WeakPolarHBondContact O-CB 3.43Å; L79-L82 PolarHBondContact O-N 3.26Å; L79-K83 PolarHBondContact O-N 3.49Å; L79-K83 VanDerWaalsContact O-N 3.08Å; L79-I88 HydrophobicContact CD1-CD1 3.32Å; L79-I88 HydrophobicContact CD1-CG1 4.2Å; L79-I88 HydrophobicContact CG-CD1 3.65Å; L79-I88 VanDerWaalsContact O-CD1 3.25Å; L79-I88 WeakPolarHBondContact O-CD1 3.44Å; L79-Y96 HydrophobicContact CD1-CE2 3.96Å; L79-Y96 HydrophobicContact CD2-CD2 3.96Å; L79-Y96 HydrophobicContact CD2-CE2 4.12Å
80G92.9Very high88.4Confident13 Ų1375 Ų7513%0.13438%0.384CS..Hα-helixtrans-61.9-33.5177.200000112.6F73 F76 L82 K83 K84F73-G80 VanDerWaalsContact CB-CA 3.5Å; F76-G80 PolarHBondContact O-N 2.83Å; G80-L82 VanDerWaalsContact C-N 3.3Å; G80-L82 PolarHBondContact O-N 3.46Å; G80-K83 PolarHBondContact O-N 2.93Å; G80-K84 PolarHBondContact O-N 3.38Å
81G91Very high88.2Confident38 Ų3871 Ų7139%0.39237%0.374SS..Hα-helixtrans-58.4-40170.700000112.9P77 N78 L79P77-G81 PolarHBondContact O-N 3.15Å; N78-G81 PolarHBondContact O-N 3.17Å; L79-G81 VanDerWaalsContact C-N 3.26Å; L79-G81 PolarHBondContact O-N 3.42Å
82L88.4Confident88.2Confident34 Ų3472.9 Ų72.918%0.17838%0.38CS..Hα-helixtrans-76.5-28.3177.5-63.2178.7000113.1K21 A25 N78 L79 G80 K84 T85 S87 I88K21-L82 HydrophobicContact CB-CD1 4.29Å; K21-L82 HydrophobicContact CD-CD2 4.34Å; K21-L82 HydrophobicContact CG-CD1 4.14Å; K21-L82 WeakPolarHBondContact O-CD1 3.5Å; A25-L82 HydrophobicContact CB-CD1 3.69Å; N78-L82 PolarHBondContact O-N 2.97Å; L79-L82 WeakPolarHBondContact O-CB 3.43Å; L79-L82 PolarHBondContact O-N 3.26Å; G80-L82 VanDerWaalsContact C-N 3.3Å; G80-L82 PolarHBondContact O-N 3.46Å; L82-K84 VanDerWaalsContact C-N 3.33Å; L82-K84 PolarHBondContact O-N 3.04Å; L82-T85 PolarHBondContact O-N 2.71Å; L82-T85 PolarHBondContact O-OG1 3.03Å; L82-S87 VanDerWaalsContact O-CB 3.3Å; L82-S87 WeakPolarHBondContact O-CB 3.46Å; L82-S87 PolarHBondContact O-N 3.36Å; L82-S87 VanDerWaalsContact O-N 3.08Å; L82-I88 HydrophobicContact CB-CD1 3.78Å; L82-I88 HydrophobicContact CB-CG1 3.97Å
83K80.1Confident88.2Confident87 Ų8770.2 Ų70.238%0.37837%0.369SS..Hα-helixtrans-64.9-37.8174.1-177.9168.6175-178.90111.9G71 F73 L79 G80 T85 R86 I88G71-K83 PolarHBondContact O-NZ 3.26Å; F73-K83 HydrophobicContact CD2-CD 3.53Å; F73-K83 HydrophobicContact CE2-CB 4.44Å; F73-K83 HydrophobicContact CE2-CD 3.02Å; F73-K83 HydrophobicContact CE2-CG 4.29Å; F73-K83 HydrophobicContact CZ-CD 3.59Å; L79-K83 PolarHBondContact O-N 3.49Å; L79-K83 VanDerWaalsContact O-N 3.08Å; G80-K83 PolarHBondContact O-N 2.93Å; K83-T85 PolarHBondContact O-N 3.01Å; K83-T85 VanDerWaalsContact O-N 3.14Å; K83-R86 WeakPolarHBondContact O-CA 3.46Å; K83-R86 PolarHBondContact O-N 2.74Å; K83-I88 HydrophobicContact CB-CD1 4.36Å
84K79.7Confident88.2Confident187 Ų18775.1 Ų75.181%0.81339%0.392SS*.Hα-helixtrans-57.4-28.4175.7-68.3179.6-178.5-179.40112.5G80 L82G80-K84 PolarHBondContact O-N 3.38Å; L82-K84 VanDerWaalsContact C-N 3.33Å; L82-K84 PolarHBondContact O-N 3.04Å
85T80.6Confident88.4Confident87 Ų8771.3 Ų71.353%0.53439%0.386SS..THydrogen-bonded Turntrans-95.818.8176.460.90000113.3L82 K83 S87L82-T85 PolarHBondContact O-N 2.71Å; L82-T85 PolarHBondContact O-OG1 3.03Å; K83-T85 PolarHBondContact O-N 3.01Å; K83-T85 VanDerWaalsContact O-N 3.14Å; T85-S87 PolarHBondContact O-N 2.97Å; T85-S87 PolarHBondContact O-OG 3.19Å; T85-S87 WeakPolarHBondContact OG1-CB 3.08Å; T85-S87 PolarHBondContact OG1-OG 3.46Å
86R75.1Confident88.4Confident239 Ų23969.7 Ų69.790%0.90238%0.378SS*.THydrogen-bonded Turntrans46.434.3-176.2-61.5-174.1-178-171.40.1113.4K83K83-R86 WeakPolarHBondContact O-CA 3.46Å; K83-R86 PolarHBondContact O-N 2.74Å
87S77.7Confident88.4Confident33 Ų3370 Ų7023%0.23138%0.38CS..  trans-95.30.4-168.6-75.30000114.3K21 L82 T85K21-S87 PolarHBondContact NZ-OG 3.41Å; L82-S87 VanDerWaalsContact O-CB 3.3Å; L82-S87 WeakPolarHBondContact O-CB 3.46Å; L82-S87 PolarHBondContact O-N 3.36Å; L82-S87 VanDerWaalsContact O-N 3.08Å; T85-S87 PolarHBondContact O-N 2.97Å; T85-S87 PolarHBondContact O-OG 3.19Å; T85-S87 WeakPolarHBondContact OG1-CB 3.08Å; T85-S87 PolarHBondContact OG1-OG 3.46Å
88I81.1Confident88.5Confident18 Ų1869.9 Ų69.99%0.09238%0.375CS..SBendtrans-122.3117.8179.8-55.7160.1000107.8L79 L82 K83 D92 V93 Y96L79-I88 HydrophobicContact CD1-CD1 3.32Å; L79-I88 HydrophobicContact CD1-CG1 4.2Å; L79-I88 HydrophobicContact CG-CD1 3.65Å; L79-I88 VanDerWaalsContact O-CD1 3.25Å; L79-I88 WeakPolarHBondContact O-CD1 3.44Å; L82-I88 HydrophobicContact CB-CD1 3.78Å; L82-I88 HydrophobicContact CB-CG1 3.97Å; K83-I88 HydrophobicContact CB-CD1 4.36Å; I88-D92 HydrophobicContact CG2-CB 4.01Å; I88-V93 HydrophobicContact CG2-CG2 4Å; I88-Y96 HydrophobicContact CG2-CE2 4.49Å
89P84.3Confident88.7Confident76 Ų7668.4 Ų68.449%0.49437%0.365SS..  trans-60.5145.5167.8-21.931.7000112.7G91 D92P89-G91 PolarHBondContact O-N 2.89Å; P89-D92 VanDerWaalsContact CD-OD2 3.31Å; P89-D92 WeakPolarHBondContact CD-OD2 3.47Å; P89-D92 PolarHBondContact O-N 3.47Å
90D85.9Confident88.8Confident138 Ų13868.5 Ų68.574%0.73837%0.366SS*.Hα-helixtrans-60.3-28175.8-66.8-27.7000112.7D92 V93 H94D90-D92 VanDerWaalsContact C-N 3.31Å; D90-D92 PolarHBondContact O-N 3.22Å; D90-V93 WeakPolarHBondContact O-CB 3.41Å; D90-V93 PolarHBondContact O-N 3.34Å; D90-H94 PolarHBondContact O-N 3.36Å
91G89.4Confident89Confident48 Ų4868.9 Ų68.950%0.49537%0.367SS..Hα-helixtrans-60.1-38.217400000113.3P89 H94 V95P89-G91 PolarHBondContact O-N 2.89Å; G91-H94 WeakPolarHBondContact O-CB 3.43Å; G91-H94 PolarHBondContact O-N 3.39Å; G91-V95 PolarHBondContact O-N 3.03Å
92D91.3Very high89.3Confident58 Ų5870.8 Ų70.831%0.3137%0.366SS..Hα-helixtrans-70.4-36.7179.6-65.1-7.2000110.8I88 P89 D90 H94 V95 Y96I88-D92 HydrophobicContact CG2-CB 4.01Å; P89-D92 VanDerWaalsContact CD-OD2 3.31Å; P89-D92 WeakPolarHBondContact CD-OD2 3.47Å; P89-D92 PolarHBondContact O-N 3.47Å; D90-D92 VanDerWaalsContact C-N 3.31Å; D90-D92 PolarHBondContact O-N 3.22Å; D92-H94 PolarHBondContact O-N 3.27Å; D92-V95 WeakPolarHBondContact O-CB 3.07Å; D92-V95 PolarHBondContact O-N 2.86Å; D92-V95 VanDerWaalsContact O-N 3.14Å; D92-Y96 HydrophobicContact CB-CE2 4.11Å; D92-Y96 VanDerWaalsContact O-CD2 3.29Å; D92-Y96 WeakPolarHBondContact O-CD2 3.36Å; D92-Y96 PolarHBondContact O-N 2.94Å
93V92.7Very high89.6Confident17 Ų1770.3 Ų70.310%0.10336%0.364CS..Hα-helixtrans-59.6-38175.1-177.20000111L68 F73 I88 D90 Y96 C97L68-V93 HydrophobicContact CD1-CG1 4.01Å; L68-V93 HydrophobicContact CG-CG1 3.81Å; L68-V93 VanDerWaalsContact O-CG1 3.31Å; L68-V93 WeakPolarHBondContact O-CG1 3.42Å; F73-V93 HydrophobicContact CZ-CG2 4.12Å; I88-V93 HydrophobicContact CG2-CG2 4Å; D90-V93 WeakPolarHBondContact O-CB 3.41Å; D90-V93 PolarHBondContact O-N 3.34Å; V93-Y96 PolarHBondContact O-N 3.14Å; V93-C97 PolarHBondContact O-N 2.96Å; V93-C97 PolarHBondContact O-SG 2.92Å
94H94.5Very high90.4Very high122 Ų12268.3 Ų68.357%0.56536%0.356SS*.Hα-helixtrans-64.5-44.8175.4-168.967.7000111.9D90 G91 D92 Y96 C97 D98D90-H94 PolarHBondContact O-N 3.36Å; G91-H94 WeakPolarHBondContact O-CB 3.43Å; G91-H94 PolarHBondContact O-N 3.39Å; D92-H94 PolarHBondContact O-N 3.27Å; H94-Y96 VanDerWaalsContact C-N 3.28Å; H94-Y96 PolarHBondContact O-N 3.35Å; H94-C97 WeakPolarHBondContact O-CB 3.41Å; H94-C97 PolarHBondContact O-N 2.68Å; H94-C97 VanDerWaalsContact O-N 3.1Å; H94-D98 IonicContact CD2-OD2 2.73Å; H94-D98 IonicContact NE2-OD2 3.87Å; H94-D98 PolarHBondContact O-N 2.95Å
95V96.2Very high91.2Very high89 Ų8966.9 Ų66.954%0.53935%0.35SS..Hα-helixtrans-58.2-41.8175.6175.80000111.2G91 D92 D98 H99G91-V95 PolarHBondContact O-N 3.03Å; D92-V95 WeakPolarHBondContact O-CB 3.07Å; D92-V95 PolarHBondContact O-N 2.86Å; D92-V95 VanDerWaalsContact O-N 3.14Å; V95-D98 PolarHBondContact O-N 2.94Å; V95-H99 WeakPolarHBondContact O-CB 3.24Å; V95-H99 PolarHBondContact O-N 3.32Å
96Y96.2Very high91.9Very high7 Ų768.9 Ų68.93%0.02735%0.351CS..Hα-helixtrans-66.3-37.7176.7-56.7-25.9000112.7D23 Y26 L79 I88 D92 V93 H94 D98 H99 L100D23-Y96 WeakPolarHBondContact CA-OH 3.12Å; D23-Y96 PolarHBondContact N-OH 3.41Å; D23-Y96 VanDerWaalsContact OD1-CE1 3.27Å; D23-Y96 WeakPolarHBondContact OD1-CE1 3.43Å; D23-Y96 PolarHBondContact OD1-OH 3.1Å; Y26-Y96 AromaticContact CD1-CD1 3.58Å; Y26-Y96 HydrophobicContact CD1-CD1 3.58Å; Y26-Y96 AromaticContact CD1-CE1 3.93Å; Y26-Y96 HydrophobicContact CD1-CE1 3.93Å; Y26-Y96 HydrophobicContact CD1-CG 4.04Å; Y26-Y96 HydrophobicContact CD2-CD1 4.25Å; Y26-Y96 HydrophobicContact CD2-CD2 4.13Å; Y26-Y96 AromaticContact CD2-CG 3.84Å; Y26-Y96 HydrophobicContact CD2-CG 3.84Å; Y26-Y96 AromaticContact CE1-CD1 3.88Å; Y26-Y96 HydrophobicContact CE1-CD1 3.88Å; Y26-Y96 HydrophobicContact CE1-CG 4.29Å; Y26-Y96 HydrophobicContact CE2-CD1 4.5Å; Y26-Y96 HydrophobicContact CE2-CG 4.09Å; Y26-Y96 AromaticContact CG-CD1 3.77Å; Y26-Y96 HydrophobicContact CG-CD1 3.77Å; Y26-Y96 HydrophobicContact CG-CD2 4.11Å; Y26-Y96 HydrophobicContact CG-CE1 4.1Å; Y26-Y96 HydrophobicContact CG-CE2 4.4Å; Y26-Y96 AromaticContact CG-CG 3.8Å; Y26-Y96 HydrophobicContact CG-CG 3.8Å; Y26-Y96 PolarHBondContact OH-O 3.1Å; L79-Y96 HydrophobicContact CD1-CE2 3.96Å; L79-Y96 HydrophobicContact CD2-CD2 3.96Å; L79-Y96 HydrophobicContact CD2-CE2 4.12Å; I88-Y96 HydrophobicContact CG2-CE2 4.49Å; D92-Y96 HydrophobicContact CB-CE2 4.11Å; D92-Y96 VanDerWaalsContact O-CD2 3.29Å; D92-Y96 WeakPolarHBondContact O-CD2 3.36Å; D92-Y96 PolarHBondContact O-N 2.94Å; V93-Y96 PolarHBondContact O-N 3.14Å; H94-Y96 VanDerWaalsContact C-N 3.28Å; H94-Y96 PolarHBondContact O-N 3.35Å; Y96-D98 VanDerWaalsContact C-N 3.34Å; Y96-H99 PolarHBondContact O-N 3.33Å; Y96-L100 WeakPolarHBondContact O-CG 3.34Å; Y96-L100 PolarHBondContact O-N 3.22Å
97C96.6Very high92.8Very high7 Ų758.4 Ų58.45%0.04731%0.313CS..Hα-helixtrans-63-39.5173.9-70.20000112.4K65 V93 H94 S101K65-C97 HydrophobicContact CG-CB 4.23Å; V93-C97 PolarHBondContact O-N 2.96Å; V93-C97 PolarHBondContact O-SG 2.92Å; H94-C97 WeakPolarHBondContact O-CB 3.41Å; H94-C97 PolarHBondContact O-N 2.68Å; H94-C97 VanDerWaalsContact O-N 3.1Å; C97-S101 PolarHBondContact O-N 2.95Å; C97-S101 PolarHBondContact O-OG 3.13Å
98D97.1Very high93.7Very high83 Ų8364.2 Ų64.244%0.44433%0.33SS..Hα-helixtrans-68.5-41.5175.7-77-15.1000111.7H94 V95 Y96 L100 S101 M102H94-D98 IonicContact CD2-OD2 2.73Å; H94-D98 IonicContact NE2-OD2 3.87Å; H94-D98 PolarHBondContact O-N 2.95Å; V95-D98 PolarHBondContact O-N 2.94Å; Y96-D98 VanDerWaalsContact C-N 3.34Å; D98-L100 PolarHBondContact O-N 3.44Å; D98-S101 VanDerWaalsContact O-CB 3.32Å; D98-S101 WeakPolarHBondContact O-CB 3.19Å; D98-S101 PolarHBondContact O-N 3.21Å; D98-S101 VanDerWaalsContact O-N 3.1Å; D98-M102 PolarHBondContact O-N 3.48Å
99H97.1Very high94.5Very high56 Ų5665.9 Ų65.926%0.25935%0.352SS..Hα-helixtrans-59.6-45.8174.3-177.4-121.5000111.9Y26 V95 Y96 S101 M102 L103Y26-H99 AromaticContact CE1-ND1 3.43Å; Y26-H99 WeakPolarHBondContact CE1-ND1 3.41Å; Y26-H99 AromaticContact CZ-ND1 3.55Å; Y26-H99 PolarHBondContact OH-ND1 3.29Å; V95-H99 WeakPolarHBondContact O-CB 3.24Å; V95-H99 PolarHBondContact O-N 3.32Å; Y96-H99 PolarHBondContact O-N 3.33Å; H99-S101 VanDerWaalsContact C-N 3.27Å; H99-S101 PolarHBondContact O-N 3.05Å; H99-M102 VanDerWaalsContact CD2-CE 3.44Å; H99-M102 WeakPolarHBondContact CD2-CE 3.46Å; H99-M102 PolarHBondContact O-N 3.02Å; H99-L103 WeakPolarHBondContact CE1-CD1 3.41Å; H99-L103 WeakPolarHBondContact O-CG 3.42Å; H99-L103 PolarHBondContact O-N 3.49Å
100L97.1Very high95.1Very high1 Ų171.7 Ų71.71%0.00536%0.364CS..Hα-helixtrans-59.5-37.8173.7-72.7171000112.1L30 F64 K65 L68 F76 Y96 D98 L103 H104L30-L100 HydrophobicContact CD1-CD2 4.08Å; F64-L100 HydrophobicContact CB-CD1 4.02Å; F64-L100 HydrophobicContact CB-CD2 4.49Å; K65-L100 HydrophobicContact CB-CB 4.24Å; K65-L100 HydrophobicContact CB-CD1 4.23Å; L68-L100 HydrophobicContact CD2-CD1 4.04Å; F76-L100 HydrophobicContact CZ-CD1 4.06Å; F76-L100 HydrophobicContact CZ-CD2 4.39Å; Y96-L100 WeakPolarHBondContact O-CG 3.34Å; Y96-L100 PolarHBondContact O-N 3.22Å; D98-L100 PolarHBondContact O-N 3.44Å; L100-L103 PolarHBondContact O-N 3.38Å; L100-H104 WeakPolarHBondContact O-CB 3.18Å; L100-H104 PolarHBondContact O-N 3.43Å
101S96.5Very high95.5Very high22 Ų2268.4 Ų68.415%0.15434%0.342CS..Hα-helixtrans-65.2-42.7176.7-57.30000112.2K65 C97 D98 H99 K105K65-S101 VanDerWaalsContact CD-OG 3.29Å; K65-S101 WeakPolarHBondContact CD-OG 3.42Å; K65-S101 WeakPolarHBondContact CE-OG 3.38Å; K65-S101 PolarHBondContact NZ-OG 3.33Å; C97-S101 PolarHBondContact O-N 2.95Å; C97-S101 PolarHBondContact O-OG 3.13Å; D98-S101 VanDerWaalsContact O-CB 3.32Å; D98-S101 WeakPolarHBondContact O-CB 3.19Å; D98-S101 PolarHBondContact O-N 3.21Å; D98-S101 VanDerWaalsContact O-N 3.1Å; H99-S101 VanDerWaalsContact C-N 3.27Å; H99-S101 PolarHBondContact O-N 3.05Å; S101-K105 WeakPolarHBondContact O-CG 3.42Å; S101-K105 PolarHBondContact O-N 3.38Å
102M97.1Very high95.9Very high77 Ų7767.6 Ų67.638%0.37933%0.331SS..Hα-helixtrans-63.9-46.5174.8-179.6-162.765.100110.9D98 H99 H104 K105 K106D98-M102 PolarHBondContact O-N 3.48Å; H99-M102 VanDerWaalsContact CD2-CE 3.44Å; H99-M102 WeakPolarHBondContact CD2-CE 3.46Å; H99-M102 PolarHBondContact O-N 3.02Å; M102-H104 PolarHBondContact O-N 3.08Å; M102-K105 PolarHBondContact O-N 2.89Å; M102-K106 HydrophobicContact CE-CD 4.49Å; M102-K106 HydrophobicContact CG-CD 4.33Å; M102-K106 WeakPolarHBondContact O-CG 3.37Å; M102-K106 PolarHBondContact O-N 3.06Å
103L95.4Very high96.1Very high25 Ų2570.1 Ų70.113%0.13134%0.344CS..Hα-helixtrans-61.3-44.4178.7-75.2175.9000112.2L30 F34 H99 L100 K105 K106 V107L30-L103 HydrophobicContact CD1-CD1 4.41Å; L30-L103 HydrophobicContact CD2-CD1 3.69Å; F34-L103 HydrophobicContact CE2-CD1 4.03Å; F34-L103 HydrophobicContact CZ-CD1 4.14Å; F34-L103 HydrophobicContact CZ-CD2 4.42Å; H99-L103 WeakPolarHBondContact CE1-CD1 3.41Å; H99-L103 WeakPolarHBondContact O-CG 3.42Å; H99-L103 PolarHBondContact O-N 3.49Å; L100-L103 PolarHBondContact O-N 3.38Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 3.34Å; L103-K106 PolarHBondContact O-N 3.1Å; L103-K106 VanDerWaalsContact O-N 3.14Å; L103-V107 WeakPolarHBondContact O-CG2 3.46Å; L103-V107 PolarHBondContact O-N 3.21Å
104H96.2Very high96.2Very high45 Ų4570 Ų7021%0.20834%0.344CS..Hα-helixtrans-53.9-47.3174167.9-94.2000111.6H61 L100 M102 R108H61-H104 HydrophobicContact CB-CB 4.24Å; L100-H104 WeakPolarHBondContact O-CB 3.18Å; L100-H104 PolarHBondContact O-N 3.43Å; M102-H104 PolarHBondContact O-N 3.08Å; H104-R108 VanDerWaalsContact O-CB 3.24Å; H104-R108 WeakPolarHBondContact O-CB 3.33Å; H104-R108 PolarHBondContact O-N 3.2Å
105K97.1Very high96.3Very high157 Ų15766.2 Ų66.268%0.68333%0.327SS*.Hα-helixtrans-62-44.1176.6-69.5176.3-176.1179.10112S101 M102 L103 G109S101-K105 WeakPolarHBondContact O-CG 3.42Å; S101-K105 PolarHBondContact O-N 3.38Å; M102-K105 PolarHBondContact O-N 2.89Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 3.34Å; K105-G109 PolarHBondContact O-N 3.49Å
106K96.5Very high96.3Very high128 Ų12870.4 Ų70.456%0.55734%0.338SS*.Hα-helixtrans-63-48179.4-74.7-177.4175.2179.50112.2M102 L103 G109 R110M102-K106 HydrophobicContact CE-CD 4.49Å; M102-K106 HydrophobicContact CG-CD 4.33Å; M102-K106 WeakPolarHBondContact O-CG 3.37Å; M102-K106 PolarHBondContact O-N 3.06Å; L103-K106 PolarHBondContact O-N 3.1Å; L103-K106 VanDerWaalsContact O-N 3.14Å; K106-G109 PolarHBondContact O-N 3.35Å; K106-R110 WeakPolarHBondContact O-CB 2.95Å; K106-R110 PolarHBondContact O-N 3.42Å
107V93.9Very high96.2Very high19 Ų1971.7 Ų71.712%0.11535%0.345CS..Hα-helixtrans-63.9-46.6178.4174.60000110.5F34 I57 V58 L103 G109 R110 Y111F34-V107 HydrophobicContact CE1-CG2 4.45Å; I57-V107 HydrophobicContact CG2-CG1 4.32Å; V58-V107 HydrophobicContact CG2-CG1 3.93Å; L103-V107 WeakPolarHBondContact O-CG2 3.46Å; L103-V107 PolarHBondContact O-N 3.21Å; V107-G109 VanDerWaalsContact C-N 3.28Å; V107-G109 PolarHBondContact O-N 3.03Å; V107-R110 PolarHBondContact O-N 2.89Å; V107-Y111 HydrophobicContact CG1-CD2 4.02Å; V107-Y111 HydrophobicContact CG1-CE2 4.41Å; V107-Y111 WeakPolarHBondContact O-CD2 3.46Å; V107-Y111 PolarHBondContact O-N 3.42Å
108R96.7Very high95.9Very high155 Ų15579.3 Ų79.359%0.58537%0.373SS*.Hα-helixtrans-61.3-36.5177.6-173.5177.1177.4-136.91.4112.6H104 A112 L115H104-R108 VanDerWaalsContact O-CB 3.24Å; H104-R108 WeakPolarHBondContact O-CB 3.33Å; H104-R108 PolarHBondContact O-N 3.2Å; R108-A112 WeakPolarHBondContact O-CA 3.38Å; R108-A112 WeakPolarHBondContact O-CB 3.38Å; R108-A112 PolarHBondContact O-N 3.4Å; R108-L115 HydrophobicContact CB-CD1 4.39Å; R108-L115 HydrophobicContact CG-CD1 3.91Å
109G97.6Very high95.5Very high54 Ų5477.2 Ų77.256%0.55736%0.363SS*.Hα-helixtrans-68.4-4517500000112.7K105 K106 V107 Y111 A112K105-G109 PolarHBondContact O-N 3.49Å; K106-G109 PolarHBondContact O-N 3.35Å; V107-G109 VanDerWaalsContact C-N 3.28Å; V107-G109 PolarHBondContact O-N 3.03Å; G109-Y111 VanDerWaalsContact C-N 3.34Å; G109-Y111 PolarHBondContact O-N 2.86Å; G109-A112 PolarHBondContact O-N 2.81Å
110R95.7Very high95Very high198 Ų19875 Ų7575%0.74735%0.354SS*.Hα-helixtrans-63.3-36.6179.8174.3171.8-86.4164.4-7113.1K106 V107K106-R110 WeakPolarHBondContact O-CB 2.95Å; K106-R110 PolarHBondContact O-N 3.42Å; V107-R110 PolarHBondContact O-N 2.89Å
111Y95Very high94.5Very high68 Ų6876.8 Ų76.827%0.26737%0.369SS..THydrogen-bonded Turntrans-110.929.8-178.3-62.6-83.1000112.7V54 V107 G109 D113 V114 L115V54-Y111 HydrophobicContact CB-CG 4.5Å; V54-Y111 VanDerWaalsContact CG1-CB 3.45Å; V54-Y111 HydrophobicContact CG1-CD1 4.39Å; V54-Y111 HydrophobicContact CG1-CD2 4.09Å; V54-Y111 HydrophobicContact CG1-CG 3.75Å; V54-Y111 HydrophobicContact CG2-CD1 3.69Å; V54-Y111 HydrophobicContact CG2-CD2 4.25Å; V54-Y111 HydrophobicContact CG2-CE1 3.98Å; V54-Y111 HydrophobicContact CG2-CG 3.83Å; V107-Y111 HydrophobicContact CG1-CD2 4.02Å; V107-Y111 HydrophobicContact CG1-CE2 4.41Å; V107-Y111 WeakPolarHBondContact O-CD2 3.46Å; V107-Y111 PolarHBondContact O-N 3.42Å; G109-Y111 VanDerWaalsContact C-N 3.34Å; G109-Y111 PolarHBondContact O-N 2.86Å; Y111-D113 VanDerWaalsContact C-N 3.27Å; Y111-D113 PolarHBondContact O-N 3.47Å; Y111-V114 HydrophobicContact CD1-CG2 4.26Å; Y111-V114 PolarHBondContact O-N 2.91Å; Y111-L115 WeakPolarHBondContact O-CB 3.39Å; Y111-L115 VanDerWaalsContact O-CG 3.26Å; Y111-L115 WeakPolarHBondContact O-CG 3.15Å; Y111-L115 PolarHBondContact O-N 2.98Å
112A97.6Very high94Very high32 Ų3278.2 Ų78.226%0.26437%0.371SS..Hα-helixtrans-62.1-36.6-174.600000112.6R108 G109 K116R108-A112 WeakPolarHBondContact O-CA 3.38Å; R108-A112 WeakPolarHBondContact O-CB 3.38Å; R108-A112 PolarHBondContact O-N 3.4Å; G109-A112 PolarHBondContact O-N 2.81Å; A112-K116 VanDerWaalsContact O-CB 3.32Å; A112-K116 WeakPolarHBondContact O-CB 3.46Å; A112-K116 WeakPolarHBondContact O-CD 3.36Å; A112-K116 WeakPolarHBondContact O-CG 3.25Å; A112-K116 PolarHBondContact O-N 3.35Å; A112-K116 VanDerWaalsContact O-N 3.11Å
113D96.2Very high93.4Very high111 Ų11177.4 Ų77.459%0.59437%0.367SS*.Hα-helixtrans-64.4-51.2173.657.2-24.4000112.1Y111 L115 K116 M117Y111-D113 VanDerWaalsContact C-N 3.27Å; Y111-D113 PolarHBondContact O-N 3.47Å; D113-L115 VanDerWaalsContact C-N 3.32Å; D113-L115 PolarHBondContact O-N 2.89Å; D113-K116 PolarHBondContact O-N 3.22Å; D113-K116 VanDerWaalsContact O-N 3.17Å; D113-M117 PolarHBondContact O-N 3.47Å
114V94.5Very high92.9Very high15 Ų1581.1 Ų81.19%0.09139%0.387CS..Hα-helixtrans-61.1-42.1178.2177.10000111.2T50 K51 V54 Y111 K116 M117T50-V114 HydrophobicContact CG2-CG1 4.16Å; K51-V114 HydrophobicContact CB-CG1 3.85Å; K51-V114 HydrophobicContact CG-CG1 4.44Å; K51-V114 WeakPolarHBondContact CG-O 3.49Å; V54-V114 HydrophobicContact CG2-CG1 4.49Å; Y111-V114 HydrophobicContact CD1-CG2 4.26Å; Y111-V114 PolarHBondContact O-N 2.91Å; V114-K116 VanDerWaalsContact C-N 3.34Å; V114-K116 PolarHBondContact O-N 3.21Å; V114-M117 WeakPolarHBondContact O-CB 3.38Å; V114-M117 PolarHBondContact O-N 2.99Å
115L95.8Very high92.5Very high42 Ų4281.9 Ų81.922%0.2239%0.392CS..Hα-helixtrans-66.4-35.5177.8-73.6169.5000112.4V54 V58 R108 Y111 D113V54-L115 HydrophobicContact CG1-CD1 4.31Å; V54-L115 HydrophobicContact CG1-CD2 3.8Å; V54-L115 HydrophobicContact CG1-CG 3.87Å; V58-L115 HydrophobicContact CG2-CD1 4.24Å; R108-L115 HydrophobicContact CB-CD1 4.39Å; R108-L115 HydrophobicContact CG-CD1 3.91Å; Y111-L115 WeakPolarHBondContact O-CB 3.39Å; Y111-L115 VanDerWaalsContact O-CG 3.26Å; Y111-L115 WeakPolarHBondContact O-CG 3.15Å; Y111-L115 PolarHBondContact O-N 2.98Å; D113-L115 VanDerWaalsContact C-N 3.32Å; D113-L115 PolarHBondContact O-N 2.89Å
116K96.2Very high92Very high176 Ų17674.4 Ų74.477%0.76536%0.359SS*.Hα-helixtrans-79.3-17.7178.2-74.7171.1-171.9178.30113.5A112 D113 V114 R118A112-K116 VanDerWaalsContact O-CB 3.32Å; A112-K116 WeakPolarHBondContact O-CB 3.46Å; A112-K116 WeakPolarHBondContact O-CD 3.36Å; A112-K116 WeakPolarHBondContact O-CG 3.25Å; A112-K116 PolarHBondContact O-N 3.35Å; A112-K116 VanDerWaalsContact O-N 3.11Å; D113-K116 PolarHBondContact O-N 3.22Å; D113-K116 VanDerWaalsContact O-N 3.17Å; V114-K116 VanDerWaalsContact C-N 3.34Å; V114-K116 PolarHBondContact O-N 3.21Å; K116-R118 PolarHBondContact O-N 3.11Å
117M94Very high91.5Very high34 Ų3470 Ų7017%0.16734%0.341CS..  trans-52.9127.2-180178.6-175.760.100110.7L47 K51 D113 V114 V119L47-M117 HydrophobicContact CB-CE 4.48Å; L47-M117 HydrophobicContact CB-SD 4.31Å; L47-M117 HydrophobicContact CD2-CE 4.31Å; L47-M117 HydrophobicContact CD2-SD 3.24Å; L47-M117 WeakPolarHBondContact CD2-SD 3.44Å; L47-M117 HydrophobicContact CG-CE 3.8Å; L47-M117 HydrophobicContact CG-SD 3.41Å; L47-M117 WeakPolarHBondContact CG-SD 3.35Å; L47-M117 WeakPolarHBondContact O-CE 3.4Å; K51-M117 HydrophobicContact CB-CE 3.67Å; K51-M117 HydrophobicContact CD-CB 4.46Å; K51-M117 HydrophobicContact CD-CE 3.66Å; K51-M117 WeakPolarHBondContact CE-O 3.24Å; K51-M117 HydrophobicContact CG-CE 4.24Å; K51-M117 PolarHBondContact NZ-O 3.41Å; D113-M117 PolarHBondContact O-N 3.47Å; V114-M117 WeakPolarHBondContact O-CB 3.38Å; V114-M117 PolarHBondContact O-N 2.99Å; M117-V119 HydrophobicContact CE-CG2 3.85Å
118R91Very high91Very high168 Ų16870.6 Ų70.663%0.63435%0.345SS*.  trans-80.3125.2169.9-176.8178.6174.9176.7-0.4108.8K116 E132K116-R118 PolarHBondContact O-N 3.11Å; R118-E132 IonicContact CZ-OE1 2.88Å; R118-E132 IonicContact NH2-OE1 3.91Å; R118-E132 PolarHBondContact NH2-OE1 2.97Å
119V88.3Confident90Very high39 Ų3970.6 Ų70.624%0.23636%0.357CS..  trans-94.7109.3168.1-179.20000106I48 K51 M117 L124I48-V119 HydrophobicContact CD1-CG1 4.16Å; I48-V119 HydrophobicContact CG1-CG1 4.15Å; I48-V119 HydrophobicContact CG1-CG2 4.25Å; I48-V119 HydrophobicContact CG2-CG1 4.49Å; K51-V119 HydrophobicContact CD-CG2 3.92Å; M117-V119 HydrophobicContact CE-CG2 3.85Å; V119-L124 HydrophobicContact CG1-CD1 4.15Å; V119-L124 HydrophobicContact CG1-CD2 3.84Å; V119-L124 HydrophobicContact CG1-CG 3.77Å
120A87Confident88.8Confident8 Ų869.2 Ų69.27%0.06634%0.338CS..  trans-79.8154.6176.100000110.5W122 M123 E132A120-W122 VanDerWaalsContact C-N 3.27Å; A120-W122 HydrophobicContact CB-CG 4.36Å; A120-W122 VanDerWaalsContact CB-NE1 3.34Å; A120-W122 PolarHBondContact O-N 3.29Å; A120-M123 HydrophobicContact CB-CG 4.23Å; A120-M123 HydrophobicContact CB-SD 4.36Å; A120-M123 WeakPolarHBondContact O-CB 3.44Å; A120-M123 PolarHBondContact O-N 2.82Å; A120-E132 WeakPolarHBondContact CA-OE2 3.31Å; A120-E132 HydrophobicContact CB-CB 4.5Å
121A86.6Confident87.8Confident40 Ų4067.9 Ų67.933%0.33135%0.345SS..Hα-helixtrans-60.1-36-177.100000112.6M123 L124 N125 T130 E132A121-M123 VanDerWaalsContact C-N 3.26Å; A121-M123 PolarHBondContact O-N 3.46Å; A121-L124 WeakPolarHBondContact O-CB 3.34Å; A121-L124 PolarHBondContact O-N 3.21Å; A121-L124 VanDerWaalsContact O-N 3.1Å; A121-N125 PolarHBondContact O-N 3.44Å; A121-T130 HydrophobicContact CB-CG2 3.52Å; A121-E132 PolarHBondContact N-OE2 2.88Å
122W85.8Confident86.9Confident51 Ų5168.7 Ų68.719%0.19335%0.352CS..Hα-helixtrans-64.4-27176.171.2-93.6000113.8A120 L124 N125 P126 I133 L137 L141 W162A120-W122 VanDerWaalsContact C-N 3.27Å; A120-W122 HydrophobicContact CB-CG 4.36Å; A120-W122 VanDerWaalsContact CB-NE1 3.34Å; A120-W122 PolarHBondContact O-N 3.29Å; W122-L124 VanDerWaalsContact C-N 3.28Å; W122-N125 WeakPolarHBondContact CA-O 3.43Å; W122-N125 CarbonylContact O-C 3.56Å; W122-P126 WeakPolarHBondContact O-CA 3.48Å; W122-I133 HydrophobicContact CB-CD1 3.8Å; W122-I133 HydrophobicContact CB-CG1 4.38Å; W122-I133 HydrophobicContact CD2-CD1 4.05Å; W122-I133 HydrophobicContact CD2-CG1 4.17Å; W122-I133 HydrophobicContact CG-CD1 3.54Å; W122-I133 HydrophobicContact CG-CG1 3.7Å; W122-L137 HydrophobicContact CH2-CD1 4.29Å; W122-L137 HydrophobicContact CZ2-CD1 4.2Å; W122-L141 HydrophobicContact CB-CD1 4.42Å; W122-L141 HydrophobicContact CB-CD2 4.47Å; W122-L141 HydrophobicContact CE3-CD1 4.42Å; W122-W162 HydrophobicContact CE3-CH2 4.41Å; W122-W162 HydrophobicContact CZ3-CH2 4.23Å
123M84Confident85.8Confident61 Ų6168.5 Ų68.530%0.335%0.346SS..Hα-helixtrans-73.1-26.6176.7-56.3178.895.500111.4I48 A120 A121I48-M123 HydrophobicContact CD1-CB 4.14Å; A120-M123 HydrophobicContact CB-CG 4.23Å; A120-M123 HydrophobicContact CB-SD 4.36Å; A120-M123 WeakPolarHBondContact O-CB 3.44Å; A120-M123 PolarHBondContact O-N 2.82Å; A121-M123 VanDerWaalsContact C-N 3.26Å; A121-M123 PolarHBondContact O-N 3.46Å
124L85.8Confident85Confident103 Ų10365.7 Ų65.754%0.53934%0.344SS..Hα-helixtrans-83.5-38.6174-63.6175000111.4I48 V119 A121 W122 F154I48-L124 HydrophobicContact CD1-CD2 4.2Å; I48-L124 HydrophobicContact CG2-CD2 4.09Å; V119-L124 HydrophobicContact CG1-CD1 4.15Å; V119-L124 HydrophobicContact CG1-CD2 3.84Å; V119-L124 HydrophobicContact CG1-CG 3.77Å; A121-L124 WeakPolarHBondContact O-CB 3.34Å; A121-L124 PolarHBondContact O-N 3.21Å; A121-L124 VanDerWaalsContact O-N 3.1Å; W122-L124 VanDerWaalsContact C-N 3.28Å; L124-F154 WeakPolarHBondContact O-CZ 3.48Å
125N87.5Confident84.2Confident60 Ų6070.7 Ų70.732%0.32137%0.374SS..  trans-145.6102.1175.5-179.91.4000110.5A121 W122 F127 S128 F154A121-N125 PolarHBondContact O-N 3.44Å; W122-N125 WeakPolarHBondContact CA-O 3.43Å; W122-N125 CarbonylContact O-C 3.56Å; N125-F127 PolarHBondContact O-N 3.36Å; N125-F127 WeakPolarHBondContact OD1-CB 3.5Å; N125-F127 PolarHBondContact OD1-N 3.5Å; N125-S128 WeakPolarHBondContact O-CB 3.27Å; N125-S128 PolarHBondContact O-N 3.49Å; N125-S128 VanDerWaalsContact O-N 3.11Å; N125-S128 PolarHBondContact O-OG 3.06Å; N125-S128 PolarHBondContact OD1-N 2.9Å; N125-F154 HydrophobicContact CB-CE1 4.38Å; N125-F154 HydrophobicContact CB-CZ 4.38Å
126P85.6Confident83.6Confident0 Ų076.3 Ų76.30%040%0.403CS..THydrogen-bonded Turntrans-67-20.9-178.626-31.9000112.5W122 S128 L141 L144 Q145 F154 F161 W162W122-P126 WeakPolarHBondContact O-CA 3.48Å; P126-S128 VanDerWaalsContact C-N 3.33Å; P126-L141 HydrophobicContact CB-CD1 4Å; P126-L144 HydrophobicContact CB-CD2 3.82Å; P126-L144 HydrophobicContact CG-CD2 4.31Å; P126-Q145 WeakPolarHBondContact O-CG 3.32Å; P126-Q145 PolarHBondContact O-NE2 3.08Å; P126-F154 HydrophobicContact CG-CD2 4.49Å; P126-F154 HydrophobicContact CG-CE2 4.36Å; P126-F161 HydrophobicContact CG-CE1 3.85Å; P126-F161 HydrophobicContact CG-CZ 4.3Å; P126-W162 HydrophobicContact CB-CH2 4.08Å; P126-W162 HydrophobicContact CB-CZ2 4.37Å; P126-W162 HydrophobicContact CG-CH2 4.09Å; P126-W162 HydrophobicContact CG-CZ2 4.01Å
127F86.7Confident83Confident37 Ų3772.3 Ų72.316%0.16239%0.39CS..THydrogen-bonded Turntrans-86.7-2.4178-53.5-75.1000113.6N125 L144 P150 K151 F154 F161N125-F127 PolarHBondContact O-N 3.36Å; N125-F127 WeakPolarHBondContact OD1-CB 3.5Å; N125-F127 PolarHBondContact OD1-N 3.5Å; F127-L144 HydrophobicContact CE1-CG 4.46Å; F127-L144 WeakPolarHBondContact CE1-O 3.37Å; F127-P150 HydrophobicContact CE1-CG 4.12Å; F127-P150 HydrophobicContact CZ-CB 4.03Å; F127-P150 HydrophobicContact CZ-CG 3.91Å; F127-K151 HydrophobicContact CD1-CD 3.96Å; F127-K151 HydrophobicContact CD1-CG 3.36Å; F127-K151 HydrophobicContact CD2-CG 4.08Å; F127-K151 HydrophobicContact CE1-CB 4.47Å; F127-K151 HydrophobicContact CE1-CD 4.33Å; F127-K151 HydrophobicContact CE1-CG 3.35Å; F127-K151 HydrophobicContact CE2-CG 4.09Å; F127-K151 HydrophobicContact CG-CD 4.34Å; F127-K151 HydrophobicContact CG-CG 3.72Å; F127-K151 HydrophobicContact CZ-CB 4.45Å; F127-K151 HydrophobicContact CZ-CG 3.74Å; F127-F154 HydrophobicContact CD2-CB 4.29Å; F127-F154 AromaticContact CD2-CD1 3.84Å; F127-F154 HydrophobicContact CD2-CD1 3.84Å; F127-F154 HydrophobicContact CD2-CE1 4.45Å; F127-F154 HydrophobicContact CD2-CG 4.08Å; F127-F154 HydrophobicContact CE2-CB 3.59Å; F127-F154 AromaticContact CE2-CD1 3.99Å; F127-F154 HydrophobicContact CE2-CD1 3.99Å; F127-F154 HydrophobicContact CE2-CD2 4.42Å; F127-F154 AromaticContact CE2-CG 3.74Å; F127-F154 HydrophobicContact CE2-CG 3.74Å; F127-F161 HydrophobicContact CE2-CZ 4.42Å; F127-F161 HydrophobicContact CZ-CE2 4.37Å; F127-F161 HydrophobicContact CZ-CZ 4.29Å
128S82.9Confident82.6Confident30 Ų3075.7 Ų75.721%0.2141%0.405CS..SBendtrans-77.6140.8173.164.70000111N125 P126 T130 Q145N125-S128 WeakPolarHBondContact O-CB 3.27Å; N125-S128 PolarHBondContact O-N 3.49Å; N125-S128 VanDerWaalsContact O-N 3.11Å; N125-S128 PolarHBondContact O-OG 3.06Å; N125-S128 PolarHBondContact OD1-N 2.9Å; P126-S128 VanDerWaalsContact C-N 3.33Å; S128-T130 PolarHBondContact O-N 3.14Å; S128-T130 VanDerWaalsContact O-N 3.09Å; S128-T130 WeakPolarHBondContact OG-CG2 3.44Å; S128-Q145 PolarHBondContact O-NE2 2.85Å
129N75.5Confident82.5Confident156 Ų15674.4 Ų74.483%0.83441%0.407SS*.  trans-68.6106.8171.8-79.3-18.9000108.9
130T73.3Confident82.5Confident25 Ų2577.6 Ų77.615%0.15342%0.419CS..  trans-133133.417883.10000110.5A121 S128 E132A121-T130 HydrophobicContact CB-CG2 3.52Å; S128-T130 PolarHBondContact O-N 3.14Å; S128-T130 VanDerWaalsContact O-N 3.09Å; S128-T130 WeakPolarHBondContact OG-CG2 3.44Å; T130-E132 VanDerWaalsContact C-N 3.29Å
131N74.3Confident82.5Confident169 Ų16978 Ų7890%0.90442%0.42SS*.SBendtrans-93.615.2175.8-63.9-10.3000111.9I133N131-I133 VanDerWaalsContact C-N 3.29Å; N131-I133 PolarHBondContact O-N 2.81Å
132E77.1Confident82.5Confident85 Ų8580.5 Ų80.540%0.39743%0.427SS..  trans-85.40.8-172.8-60.3-162.8121.400113.9R118 A120 A121 T130R118-E132 IonicContact CZ-OE1 2.88Å; R118-E132 IonicContact NH2-OE1 3.91Å; R118-E132 PolarHBondContact NH2-OE1 2.97Å; A120-E132 WeakPolarHBondContact CA-OE2 3.31Å; A120-E132 HydrophobicContact CB-CB 4.5Å; A121-E132 PolarHBondContact N-OE2 2.88Å; T130-E132 VanDerWaalsContact C-N 3.29Å
133I74.2Confident82.6Confident28 Ų2883.8 Ų83.814%0.14444%0.442CS..  trans-88.7135.3-170.8-76164.2000111.4W122 N131 L137 Q138 L141W122-I133 HydrophobicContact CB-CD1 3.8Å; W122-I133 HydrophobicContact CB-CG1 4.38Å; W122-I133 HydrophobicContact CD2-CD1 4.05Å; W122-I133 HydrophobicContact CD2-CG1 4.17Å; W122-I133 HydrophobicContact CG-CD1 3.54Å; W122-I133 HydrophobicContact CG-CG1 3.7Å; N131-I133 VanDerWaalsContact C-N 3.29Å; N131-I133 PolarHBondContact O-N 2.81Å; I133-L137 HydrophobicContact CG2-CB 3.83Å; I133-Q138 HydrophobicContact CG2-CB 4.21Å; I133-L141 HydrophobicContact CD1-CB 4.07Å; I133-L141 HydrophobicContact CD1-CD1 4.23Å; I133-L141 HydrophobicContact CD1-CD2 2.99Å; I133-L141 HydrophobicContact CD1-CG 3.9Å; I133-L141 HydrophobicContact CG1-CD2 4.49Å
134G77.8Confident82.8Confident53 Ų5382.6 Ų82.655%0.54644%0.437SS..  trans-65.3147.2169.200000110.9L136 L137G134-L136 PolarHBondContact O-N 3.14Å; G134-L137 PolarHBondContact O-N 3.46Å
135T79.5Confident82.9Confident120 Ų12079.7 Ų79.774%0.73642%0.421SS*.Hα-helixtrans-48.2-31.6-17548.90000114.4L137T135-L137 PolarHBondContact O-N 3.36Å
136L81.6Confident82.9Confident159 Ų15980.3 Ų80.383%0.83244%0.435SS*.Hα-helixtrans-66.9-28.8-178.6-64.3176.3000115.3G134G134-L136 PolarHBondContact O-N 3.14Å
137L83.6Confident82.9Confident93 Ų9383.5 Ų83.549%0.48745%0.451SS..Hα-helixtrans-105.6-2.3-176.6-65.5175.4000112.8W122 I133 G134 T135 E139 E140 L141W122-L137 HydrophobicContact CH2-CD1 4.29Å; W122-L137 HydrophobicContact CZ2-CD1 4.2Å; I133-L137 HydrophobicContact CG2-CB 3.83Å; G134-L137 PolarHBondContact O-N 3.46Å; T135-L137 PolarHBondContact O-N 3.36Å; L137-E139 PolarHBondContact O-N 2.92Å; L137-E140 PolarHBondContact O-N 2.91Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 PolarHBondContact O-N 3.04Å
138Q86.5Confident82.8Confident104 Ų10487.5 Ų87.549%0.48647%0.471SS..Hα-helixtrans-65.4-42-173.8-170.5175.6-18.600111.7I133 L141 I142I133-Q138 HydrophobicContact CG2-CB 4.21Å; Q138-L141 PolarHBondContact O-N 3.01Å; Q138-I142 HydrophobicContact CG-CD1 4.01Å; Q138-I142 WeakPolarHBondContact O-CD1 3.12Å; Q138-I142 WeakPolarHBondContact O-CG1 3.49Å; Q138-I142 PolarHBondContact O-N 3.38Å
139E88.3Confident83Confident141 Ų14193.4 Ų93.466%0.65950%0.495SS*.Hα-helixtrans-64.3-45.7178.2-67.4-174.4-178.700112.4L137 L141 I142 K143L137-E139 PolarHBondContact O-N 2.92Å; E139-L141 PolarHBondContact O-N 2.91Å; E139-I142 PolarHBondContact O-N 3.21Å; E139-K143 WeakPolarHBondContact O-CG 3.12Å; E139-K143 PolarHBondContact O-N 2.99Å
140E88.1Confident83.5Confident107 Ų10786.3 Ų86.350%0.546%0.457SS..Hα-helixtrans-65.8-38.8179.5-65.9-53.3130.900111.8L137 K143 L144L137-E140 PolarHBondContact O-N 2.91Å; E140-K143 PolarHBondContact O-N 3.32Å; E140-K143 IonicContact OE1-NZ 2.68Å; E140-K143 PolarHBondContact OE1-NZ 3.1Å; E140-K143 IonicContact OE2-NZ 2.81Å; E140-L144 WeakPolarHBondContact O-CB 3.46Å; E140-L144 PolarHBondContact O-N 3.38Å
141L86.9Confident84Confident17 Ų1787.6 Ų87.69%0.08946%0.461CS..Hα-helixtrans-65.2-43.3173.4-170.180.6000111.5W122 P126 I133 L137 Q138 E139 K143 L144 Q145W122-L141 HydrophobicContact CB-CD1 4.42Å; W122-L141 HydrophobicContact CB-CD2 4.47Å; W122-L141 HydrophobicContact CE3-CD1 4.42Å; P126-L141 HydrophobicContact CB-CD1 4Å; I133-L141 HydrophobicContact CD1-CB 4.07Å; I133-L141 HydrophobicContact CD1-CD1 4.23Å; I133-L141 HydrophobicContact CD1-CD2 2.99Å; I133-L141 HydrophobicContact CD1-CG 3.9Å; I133-L141 HydrophobicContact CG1-CD2 4.49Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 PolarHBondContact O-N 3.04Å; Q138-L141 PolarHBondContact O-N 3.01Å; E139-L141 PolarHBondContact O-N 2.91Å; L141-K143 VanDerWaalsContact C-N 3.3Å; L141-K143 PolarHBondContact O-N 3.22Å; L141-L144 CarbonylContact O-C 3.3Å; L141-L144 WeakPolarHBondContact O-CB 3.36Å; L141-L144 PolarHBondContact O-N 3.08Å; L141-L144 VanDerWaalsContact O-N 3.11Å; L141-Q145 HydrophobicContact CD2-CG 4.44Å; L141-Q145 HydrophobicContact CG-CG 4.06Å; L141-Q145 WeakPolarHBondContact O-CB 3.31Å; L141-Q145 VanDerWaalsContact O-CG 3.29Å; L141-Q145 WeakPolarHBondContact O-CG 3.21Å; L141-Q145 PolarHBondContact O-N 2.95Å
142I87.6Confident84.4Confident91 Ų9183.3 Ų83.347%0.46744%0.442SS..Hα-helixtrans-58.8-44.1178.1-72.4164.1000110.5Q138 E139 L144 Q145 A146Q138-I142 HydrophobicContact CG-CD1 4.01Å; Q138-I142 WeakPolarHBondContact O-CD1 3.12Å; Q138-I142 WeakPolarHBondContact O-CG1 3.49Å; Q138-I142 PolarHBondContact O-N 3.38Å; E139-I142 PolarHBondContact O-N 3.21Å; I142-L144 VanDerWaalsContact C-N 3.32Å; I142-L144 PolarHBondContact O-N 3.03Å; I142-Q145 PolarHBondContact O-N 3.39Å; I142-A146 VanDerWaalsContact O-CB 3.3Å; I142-A146 WeakPolarHBondContact O-CB 3.29Å; I142-A146 PolarHBondContact O-N 2.82Å
143K88.6Confident84.8Confident120 Ų12085 Ų8552%0.52245%0.448SS..Hα-helixtrans-58.3-45.6174.8-70.2172.7-169.2165.50111.3E139 E140 L141 N147E139-K143 WeakPolarHBondContact O-CG 3.12Å; E139-K143 PolarHBondContact O-N 2.99Å; E140-K143 PolarHBondContact O-N 3.32Å; E140-K143 IonicContact OE1-NZ 2.68Å; E140-K143 PolarHBondContact OE1-NZ 3.1Å; E140-K143 IonicContact OE2-NZ 2.81Å; L141-K143 VanDerWaalsContact C-N 3.3Å; L141-K143 PolarHBondContact O-N 3.22Å; K143-N147 PolarHBondContact O-N 3.01Å
144L87.5Confident85.3Confident37 Ų3784.9 Ų84.919%0.19445%0.447CS..Hα-helixtrans-65.2-42.1179.1-173.663.3000112.2P126 F127 E140 L141 I142 N147 P150 F161P126-L144 HydrophobicContact CB-CD2 3.82Å; P126-L144 HydrophobicContact CG-CD2 4.31Å; F127-L144 HydrophobicContact CE1-CG 4.46Å; F127-L144 WeakPolarHBondContact CE1-O 3.37Å; E140-L144 WeakPolarHBondContact O-CB 3.46Å; E140-L144 PolarHBondContact O-N 3.38Å; L141-L144 CarbonylContact O-C 3.3Å; L141-L144 WeakPolarHBondContact O-CB 3.36Å; L141-L144 PolarHBondContact O-N 3.08Å; L141-L144 VanDerWaalsContact O-N 3.11Å; I142-L144 VanDerWaalsContact C-N 3.32Å; I142-L144 PolarHBondContact O-N 3.03Å; L144-N147 PolarHBondContact O-N 3.18Å; L144-P150 HydrophobicContact CD1-CG 4.29Å; L144-F161 HydrophobicContact CD1-CZ 4.09Å; L144-F161 HydrophobicContact CD2-CZ 4.1Å
145Q87.6Confident85.5Confident41 Ų4190.2 Ų90.219%0.19246%0.457CS..Hα-helixtrans-68-35.7179.3-74.9-177.6-27.900113.3P126 S128 L141 I142P126-Q145 WeakPolarHBondContact O-CG 3.32Å; P126-Q145 PolarHBondContact O-NE2 3.08Å; S128-Q145 PolarHBondContact O-NE2 2.85Å; L141-Q145 HydrophobicContact CD2-CG 4.44Å; L141-Q145 HydrophobicContact CG-CG 4.06Å; L141-Q145 WeakPolarHBondContact O-CB 3.31Å; L141-Q145 VanDerWaalsContact O-CG 3.29Å; L141-Q145 WeakPolarHBondContact O-CG 3.21Å; L141-Q145 PolarHBondContact O-N 2.95Å; I142-Q145 PolarHBondContact O-N 3.39Å
146A86.9Confident85.6Confident74 Ų7489.5 Ų89.561%0.61246%0.457SS*.Hα-helixtrans-71.5-21.1175.400000112.5I142 E148I142-A146 VanDerWaalsContact O-CB 3.3Å; I142-A146 WeakPolarHBondContact O-CB 3.29Å; I142-A146 PolarHBondContact O-N 2.82Å; A146-E148 PolarHBondContact O-N 2.62Å
147N86.5Confident85.4Confident66 Ų6683.2 Ų83.235%0.35343%0.431SS..  trans-80.8113.1175.7-166.2-5.4000110.4K143 L144 E149 P150K143-N147 PolarHBondContact O-N 3.01Å; L144-N147 PolarHBondContact O-N 3.18Å; N147-E149 WeakPolarHBondContact OD1-CB 3.38Å; N147-E149 PolarHBondContact OD1-N 3Å; N147-E149 VanDerWaalsContact OD1-N 3.11Å; N147-P150 HydrophobicContact CB-CG 3.99Å; N147-P150 WeakPolarHBondContact ND2-CD 3.41Å; N147-P150 WeakPolarHBondContact O-CD 3.3Å; N147-P150 WeakPolarHBondContact O-CG 3.43Å; N147-P150 VanDerWaalsContact OD1-CD 3.25Å; N147-P150 WeakPolarHBondContact OD1-CD 3.46Å
148E85.3Confident85Confident122 Ų12281.5 Ų81.557%0.5743%0.427SS*.SBendtrans-78.2-24.6177.2-63.6-64151.700112.6A146 K151 P152A146-E148 PolarHBondContact O-N 2.62Å; E148-K151 PolarHBondContact O-N 3.03Å; E148-K151 IonicContact OE1-NZ 3.86Å; E148-K151 PolarHBondContact OE1-NZ 3.04Å; E148-K151 VanDerWaalsContact OE2-CD 3.26Å; E148-K151 WeakPolarHBondContact OE2-CD 3.37Å; E148-K151 WeakPolarHBondContact OE2-CE 3.32Å; E148-K151 IonicContact OE2-NZ 2.77Å; E148-K151 PolarHBondContact OE2-NZ 3.14Å; E148-P152 VanDerWaalsContact O-CD 3.29Å; E148-P152 WeakPolarHBondContact O-CD 3.45Å
149E87.4Confident84.3Confident154 Ų15479.2 Ų79.272%0.7242%0.422SS*.THydrogen-bonded Turntrans-61.3-40.4-177.8-61.5-173.6164.100115.3N147 P152N147-E149 WeakPolarHBondContact OD1-CB 3.38Å; N147-E149 PolarHBondContact OD1-N 3Å; N147-E149 VanDerWaalsContact OD1-N 3.11Å; E149-P152 WeakPolarHBondContact O-CD 3.3Å
150P84.6Confident83.6Confident7 Ų778.2 Ų78.25%0.04542%0.417CS..Hα-helixtrans-76.8-17.6178.626.3-33.9000114.2F127 L144 N147 K153 F154 F161F127-P150 HydrophobicContact CE1-CG 4.12Å; F127-P150 HydrophobicContact CZ-CB 4.03Å; F127-P150 HydrophobicContact CZ-CG 3.91Å; L144-P150 HydrophobicContact CD1-CG 4.29Å; N147-P150 HydrophobicContact CB-CG 3.99Å; N147-P150 WeakPolarHBondContact ND2-CD 3.41Å; N147-P150 WeakPolarHBondContact O-CD 3.3Å; N147-P150 WeakPolarHBondContact O-CG 3.43Å; N147-P150 VanDerWaalsContact OD1-CD 3.25Å; N147-P150 WeakPolarHBondContact OD1-CD 3.46Å; P150-K153 WeakPolarHBondContact O-CB 3.46Å; P150-K153 PolarHBondContact O-N 3.22Å; P150-K153 VanDerWaalsContact O-N 3.16Å; P150-F154 PolarHBondContact O-N 2.92Å; P150-F161 HydrophobicContact CB-CD2 4.44Å; P150-F161 HydrophobicContact CB-CE2 3.72Å
151K84.3Confident83.2Confident52 Ų5273.3 Ų73.323%0.22639%0.394CS..Hα-helixtrans-58.3-49.9-175.6-71.5-178.8-168.2170.70112.9F127 E148 K153 F154 E155F127-K151 HydrophobicContact CD1-CD 3.96Å; F127-K151 HydrophobicContact CD1-CG 3.36Å; F127-K151 HydrophobicContact CD2-CG 4.08Å; F127-K151 HydrophobicContact CE1-CB 4.47Å; F127-K151 HydrophobicContact CE1-CD 4.33Å; F127-K151 HydrophobicContact CE1-CG 3.35Å; F127-K151 HydrophobicContact CE2-CG 4.09Å; F127-K151 HydrophobicContact CG-CD 4.34Å; F127-K151 HydrophobicContact CG-CG 3.72Å; F127-K151 HydrophobicContact CZ-CB 4.45Å; F127-K151 HydrophobicContact CZ-CG 3.74Å; E148-K151 PolarHBondContact O-N 3.03Å; E148-K151 IonicContact OE1-NZ 3.86Å; E148-K151 PolarHBondContact OE1-NZ 3.04Å; E148-K151 VanDerWaalsContact OE2-CD 3.26Å; E148-K151 WeakPolarHBondContact OE2-CD 3.37Å; E148-K151 WeakPolarHBondContact OE2-CE 3.32Å; E148-K151 IonicContact OE2-NZ 2.77Å; E148-K151 PolarHBondContact OE2-NZ 3.14Å; K151-K153 VanDerWaalsContact C-N 3.27Å; K151-K153 PolarHBondContact O-N 3.06Å; K151-F154 WeakPolarHBondContact O-CB 3.27Å; K151-F154 PolarHBondContact O-N 3.25Å; K151-F154 VanDerWaalsContact O-N 3.16Å; K151-E155 WeakPolarHBondContact O-CG 3.42Å; K151-E155 PolarHBondContact O-N 3.02Å
152P83.6Confident82.9Confident79 Ų7976.9 Ų76.951%0.51341%0.407SS..Hα-helixtrans-61.1-35.8177-23.133.9000112.9E148 E149 E155 S156E148-P152 VanDerWaalsContact O-CD 3.29Å; E148-P152 WeakPolarHBondContact O-CD 3.45Å; E149-P152 WeakPolarHBondContact O-CD 3.3Å; P152-E155 PolarHBondContact O-N 3.02Å; P152-S156 WeakPolarHBondContact O-CB 3.29Å; P152-S156 PolarHBondContact O-N 2.88Å
153K83.7Confident82.3Confident121 Ų12178.6 Ų78.653%0.52642%0.416SS..Hα-helixtrans-65.5-41.8177.1-67-179.5-179173.40111P150 K151 S156 G157P150-K153 WeakPolarHBondContact O-CB 3.46Å; P150-K153 PolarHBondContact O-N 3.22Å; P150-K153 VanDerWaalsContact O-N 3.16Å; K151-K153 VanDerWaalsContact C-N 3.27Å; K151-K153 PolarHBondContact O-N 3.06Å; K153-S156 PolarHBondContact O-N 3.49Å; K153-S156 PolarHBondContact O-OG 3.31Å; K153-G157 PolarHBondContact O-N 2.95Å
154F85.2Confident81.5Confident25 Ų2578.2 Ų78.211%0.1142%0.416CS..Hα-helixtrans-63.3-44.2175.4177.5-99.6000112.4L124 N125 P126 F127 P150 K151 S156 G157 S158 F161L124-F154 WeakPolarHBondContact O-CZ 3.48Å; N125-F154 HydrophobicContact CB-CE1 4.38Å; N125-F154 HydrophobicContact CB-CZ 4.38Å; P126-F154 HydrophobicContact CG-CD2 4.49Å; P126-F154 HydrophobicContact CG-CE2 4.36Å; F127-F154 HydrophobicContact CD2-CB 4.29Å; F127-F154 AromaticContact CD2-CD1 3.84Å; F127-F154 HydrophobicContact CD2-CD1 3.84Å; F127-F154 HydrophobicContact CD2-CE1 4.45Å; F127-F154 HydrophobicContact CD2-CG 4.08Å; F127-F154 HydrophobicContact CE2-CB 3.59Å; F127-F154 AromaticContact CE2-CD1 3.99Å; F127-F154 HydrophobicContact CE2-CD1 3.99Å; F127-F154 HydrophobicContact CE2-CD2 4.42Å; F127-F154 AromaticContact CE2-CG 3.74Å; F127-F154 HydrophobicContact CE2-CG 3.74Å; P150-F154 PolarHBondContact O-N 2.92Å; K151-F154 WeakPolarHBondContact O-CB 3.27Å; K151-F154 PolarHBondContact O-N 3.25Å; K151-F154 VanDerWaalsContact O-N 3.16Å; F154-S156 VanDerWaalsContact C-N 3.26Å; F154-S156 PolarHBondContact O-N 2.95Å; F154-G157 CarbonylContact O-C 3.29Å; F154-G157 PolarHBondContact O-N 3.27Å; F154-G157 VanDerWaalsContact O-N 3.14Å; F154-S158 PolarHBondContact O-N 3.37Å; F154-F161 HydrophobicContact CB-CB 4.36Å; F154-F161 HydrophobicContact CB-CD2 4.04Å; F154-F161 HydrophobicContact CB-CG 4.05Å; F154-F161 HydrophobicContact CD2-CB 3.96Å; F154-F161 AromaticContact CD2-CD1 3.53Å; F154-F161 HydrophobicContact CD2-CD1 3.53Å; F154-F161 HydrophobicContact CD2-CD2 4.45Å; F154-F161 HydrophobicContact CD2-CE1 4.16Å; F154-F161 AromaticContact CD2-CG 3.7Å; F154-F161 HydrophobicContact CD2-CG 3.7Å; F154-F161 HydrophobicContact CE2-CD1 4.22Å; F154-F161 HydrophobicContact CG-CD1 4.48Å; F154-F161 HydrophobicContact CG-CG 4.37Å
155E82.5Confident80.3Confident164 Ų16483.9 Ų83.977%0.76644%0.442SS*.Hα-helixtrans-61.1-34.8175.1-70.2-179.817000112.5K151 P152 G157K151-E155 WeakPolarHBondContact O-CG 3.42Å; K151-E155 PolarHBondContact O-N 3.02Å; P152-E155 PolarHBondContact O-N 3.02Å; E155-G157 VanDerWaalsContact C-N 3.31Å; E155-G157 PolarHBondContact O-N 3.3Å
156S82.1Confident79.9Confident105 Ų10586.1 Ų86.173%0.73445%0.454SS*.Hα-helixtrans-71.9-21176.8760000114.1P152 K153 F154P152-S156 WeakPolarHBondContact O-CB 3.29Å; P152-S156 PolarHBondContact O-N 2.88Å; K153-S156 PolarHBondContact O-N 3.49Å; K153-S156 PolarHBondContact O-OG 3.31Å; F154-S156 VanDerWaalsContact C-N 3.26Å; F154-S156 PolarHBondContact O-N 2.95Å
157G77.4Confident79.6Confident27 Ų2786.7 Ų86.728%0.27845%0.446SS..  trans171.198.818000000114.3K153 F154 E155 S159 H160 F161K153-G157 PolarHBondContact O-N 2.95Å; F154-G157 CarbonylContact O-C 3.29Å; F154-G157 PolarHBondContact O-N 3.27Å; F154-G157 VanDerWaalsContact O-N 3.14Å; E155-G157 VanDerWaalsContact C-N 3.31Å; E155-G157 PolarHBondContact O-N 3.3Å; G157-S159 VanDerWaalsContact C-N 3.27Å; G157-S159 PolarHBondContact O-N 3.38Å; G157-H160 PolarHBondContact O-N 3.23Å; G157-H160 VanDerWaalsContact O-N 3.13Å; G157-F161 PolarHBondContact O-N 3.05Å
158S74.6Confident79.2Confident57 Ų5787.8 Ų87.840%0.39945%0.451SS..Hα-helixtrans-58.6-32.8-177.862.70000114.5F154 F161 W162F154-S158 PolarHBondContact O-N 3.37Å; S158-F161 PolarHBondContact O-N 3.32Å; S158-W162 PolarHBondContact O-N 3.34Å
159S72.7Confident78.8Confident56 Ų5685.8 Ų85.839%0.39244%0.444SS..Hα-helixtrans-67.3-37.9179.3-60.80000112.1K49 G157 L163K49-S159 PolarHBondContact NZ-OG 3.18Å; G157-S159 VanDerWaalsContact C-N 3.27Å; G157-S159 PolarHBondContact O-N 3.38Å; S159-L163 WeakPolarHBondContact O-CG 3.31Å
160H72.8Confident78.3Confident121 Ų12181.6 Ų81.656%0.5643%0.427SS*.Hα-helixtrans-76.5-30-179.7-160.3-64.1000111.9G157 L163 Q164G157-H160 PolarHBondContact O-N 3.23Å; G157-H160 VanDerWaalsContact O-N 3.13Å; H160-L163 PolarHBondContact O-N 3.26Å; H160-Q164 PolarHBondContact CE1-NE2 3.28Å
161F80.7Confident77.9Confident4 Ų486.5 Ų86.52%0.01845%0.452CS..Hα-helixtrans-60.5-47.9175.9170.9-96.7000112.2P126 F127 L144 P150 F154 G157 S158 L163 Q164 H165P126-F161 HydrophobicContact CG-CE1 3.85Å; P126-F161 HydrophobicContact CG-CZ 4.3Å; F127-F161 HydrophobicContact CE2-CZ 4.42Å; F127-F161 HydrophobicContact CZ-CE2 4.37Å; F127-F161 HydrophobicContact CZ-CZ 4.29Å; L144-F161 HydrophobicContact CD1-CZ 4.09Å; L144-F161 HydrophobicContact CD2-CZ 4.1Å; P150-F161 HydrophobicContact CB-CD2 4.44Å; P150-F161 HydrophobicContact CB-CE2 3.72Å; F154-F161 HydrophobicContact CB-CB 4.36Å; F154-F161 HydrophobicContact CB-CD2 4.04Å; F154-F161 HydrophobicContact CB-CG 4.05Å; F154-F161 HydrophobicContact CD2-CB 3.96Å; F154-F161 AromaticContact CD2-CD1 3.53Å; F154-F161 HydrophobicContact CD2-CD1 3.53Å; F154-F161 HydrophobicContact CD2-CD2 4.45Å; F154-F161 HydrophobicContact CD2-CE1 4.16Å; F154-F161 AromaticContact CD2-CG 3.7Å; F154-F161 HydrophobicContact CD2-CG 3.7Å; F154-F161 HydrophobicContact CE2-CD1 4.22Å; F154-F161 HydrophobicContact CG-CD1 4.48Å; F154-F161 HydrophobicContact CG-CG 4.37Å; G157-F161 PolarHBondContact O-N 3.05Å; S158-F161 PolarHBondContact O-N 3.32Å; F161-L163 VanDerWaalsContact C-N 3.27Å; F161-L163 PolarHBondContact O-N 3.29Å; F161-Q164 PolarHBondContact O-N 3.42Å; F161-H165 AromaticContact CE2-ND1 3.97Å; F161-H165 PolarHBondContact O-ND1 3.27Å
162W79.6Confident77.4Confident91 Ų9189 Ų8935%0.34547%0.468SS..THydrogen-bonded Turntrans-71.7-14.3-179.9-69.3120.5000114.5W122 P126 S158 H165W122-W162 HydrophobicContact CE3-CH2 4.41Å; W122-W162 HydrophobicContact CZ3-CH2 4.23Å; P126-W162 HydrophobicContact CB-CH2 4.08Å; P126-W162 HydrophobicContact CB-CZ2 4.37Å; P126-W162 HydrophobicContact CG-CH2 4.09Å; P126-W162 HydrophobicContact CG-CZ2 4.01Å; S158-W162 PolarHBondContact O-N 3.34Å; W162-H165 VanDerWaalsContact O-OXT 3.12Å
163L74.5Confident77Confident128 Ų12889.8 Ų89.867%0.6747%0.465SS*.THydrogen-bonded Turntrans-84.3-14.8175-71.5172.9000112.6S159 H160 F161S159-L163 WeakPolarHBondContact O-CG 3.31Å; H160-L163 PolarHBondContact O-N 3.26Å; F161-L163 VanDerWaalsContact C-N 3.27Å; F161-L163 PolarHBondContact O-N 3.29Å
164Q72.7Confident76.4Confident112 Ų11287.2 Ų87.252%0.52346%0.46SS..  trans-100-9.4-177.5-69.2-172.2-32.300114.2H160 F161H160-Q164 PolarHBondContact CE1-NE2 3.28Å; F161-Q164 PolarHBondContact O-N 3.42Å
165H62.3Low75.6Confident156 Ų15692.8 Ų92.872%0.72249%0.492SS*.  trans-135.50-177.7-61.983.3000109.3F161 W162F161-H165 AromaticContact CE2-ND1 3.97Å; F161-H165 PolarHBondContact O-ND1 3.27Å; W162-H165 VanDerWaalsContact O-OXT 3.12Å

Retrieved 165 of 165 residues in 83.8 ms (Link to these results)

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