A0A5K4F374_SCHMA Loading...

DUF3800 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F374, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 99 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
1M58.7Low79Confident230 Ų230105.8 Ų105.8100%1.13351%0.512SS*.  0-35.20-132.4165.8168.500113.4N3 Y4M1-N3 PolarHBondContact O-N 3.47Å; M1-Y4 PolarHBondContact O-N 2.92Å
2Y61Low80.3Confident179 Ų17999.1 Ų99.170%0.70248%0.479SS*.Hα-helixtrans-56.2-38-177.5-169.2-113.3000115.8Y4 S5 I6Y2-Y4 VanDerWaalsContact C-N 3.27Å; Y2-Y4 PolarHBondContact O-N 3.1Å; Y2-S5 PolarHBondContact O-N 3.35Å; Y2-S5 PolarHBondContact O-OG 3.07Å; Y2-S5 VanDerWaalsContact O-OG 3.04Å; Y2-I6 HydrophobicContact CD1-CD1 3.53Å; Y2-I6 HydrophobicContact CD2-CD1 3.98Å; Y2-I6 HydrophobicContact CE1-CD1 3.07Å; Y2-I6 HydrophobicContact CE2-CD1 3.56Å; Y2-I6 HydrophobicContact CG-CD1 3.97Å; Y2-I6 WeakPolarHBondContact OH-CD1 3.39Å
3N64.8Low81.5Confident117 Ų11791.5 Ų91.563%0.62644%0.442SS*.Hα-helixtrans-66.4-26.7-177.8-69.5-14.4000113.7M1 N7M1-N3 PolarHBondContact O-N 3.47Å; N3-N7 PolarHBondContact O-N 3.31Å
4Y70.5Confident82.5Confident106 Ų10687.3 Ų87.342%0.41643%0.425SS..Hα-helixtrans-68.8-39.3-179.5-179.9-95.6000112.3M1 Y2 K8 Y11 F12M1-Y4 PolarHBondContact O-N 2.92Å; Y2-Y4 VanDerWaalsContact C-N 3.27Å; Y2-Y4 PolarHBondContact O-N 3.1Å; Y4-K8 HydrophobicContact CE2-CD 4.47Å; Y4-K8 HydrophobicContact CE2-CG 4.04Å; Y4-Y11 AromaticContact CD2-CD1 3.66Å; Y4-Y11 HydrophobicContact CD2-CD1 3.66Å; Y4-Y11 AromaticContact CD2-CE1 3.9Å; Y4-Y11 HydrophobicContact CD2-CE1 3.9Å; Y4-Y11 HydrophobicContact CD2-CG 4.24Å; Y4-Y11 HydrophobicContact CE2-CD1 4.38Å; Y4-F12 AromaticContact CE2-CE2 3.83Å; Y4-F12 HydrophobicContact CE2-CE2 3.83Å; Y4-F12 HydrophobicContact CE2-CZ 4.03Å
5S72.6Confident83.2Confident92 Ų9284.3 Ų84.364%0.64341%0.411SS*.Hα-helixtrans-78.3-29.3-175.753.30000113.4Y2Y2-S5 PolarHBondContact O-N 3.35Å; Y2-S5 PolarHBondContact O-OG 3.07Å; Y2-S5 VanDerWaalsContact O-OG 3.04Å
6I78.4Confident84Confident106 Ų10679.3 Ų79.354%0.54439%0.387SS..Hα-helixtrans-86.3-47.3-175.9-70.4162.7000112.1Y2Y2-I6 HydrophobicContact CD1-CD1 3.53Å; Y2-I6 HydrophobicContact CD2-CD1 3.98Å; Y2-I6 HydrophobicContact CE1-CD1 3.07Å; Y2-I6 HydrophobicContact CE2-CD1 3.56Å; Y2-I6 HydrophobicContact CG-CD1 3.97Å; Y2-I6 WeakPolarHBondContact OH-CD1 3.39Å
7N88.4Confident84.6Confident66 Ų6676.7 Ų76.735%0.35337%0.374SS..  trans-14276.2-176.2-165.2-25.2000109.7N3 P9 M10 Y11N3-N7 PolarHBondContact O-N 3.31Å; N7-P9 WeakPolarHBondContact OD1-CD 3.44Å; N7-M10 HydrophobicContact CB-CB 3.79Å; N7-M10 WeakPolarHBondContact O-CB 3.32Å; N7-M10 PolarHBondContact O-N 3.33Å; N7-M10 VanDerWaalsContact OD1-CB 3.29Å; N7-M10 WeakPolarHBondContact OD1-CB 3.28Å; N7-M10 PolarHBondContact OD1-N 2.81Å; N7-M10 VanDerWaalsContact OD1-N 3.09Å; N7-Y11 PolarHBondContact O-N 3.04Å
8K92.2Very high85.2Confident89 Ų8977.1 Ų77.139%0.38738%0.378SS..Hα-helixtrans-51.4-48179.3-176.8-172.7-60.8169.90112.3Y4 M10 Y11 F12Y4-K8 HydrophobicContact CE2-CD 4.47Å; Y4-K8 HydrophobicContact CE2-CG 4.04Å; K8-M10 VanDerWaalsContact C-N 3.32Å; K8-M10 PolarHBondContact O-N 2.98Å; K8-Y11 WeakPolarHBondContact O-CB 3.34Å; K8-Y11 PolarHBondContact O-N 3.19Å; K8-F12 HydrophobicContact CD-CE2 4.25Å; K8-F12 HydrophobicContact CG-CD2 3.88Å; K8-F12 HydrophobicContact CG-CE2 3.61Å; K8-F12 VanDerWaalsContact O-CD2 3.23Å; K8-F12 WeakPolarHBondContact O-CD2 3.07Å; K8-F12 PolarHBondContact O-N 2.93Å; K8-F12 VanDerWaalsContact O-N 3.14Å
9P94Very high85.7Confident26 Ų2674.4 Ų74.417%0.16936%0.364CS..Hα-helixtrans-58-41.4175.5-26.636.1000113.6N7 F12 A13 T44 I45 V48N7-P9 WeakPolarHBondContact OD1-CD 3.44Å; P9-F12 PolarHBondContact O-N 3.46Å; P9-A13 WeakPolarHBondContact O-CB 3.48Å; P9-A13 PolarHBondContact O-N 3.43Å; P9-T44 HydrophobicContact CB-CG2 4.04Å; P9-T44 HydrophobicContact CG-CG2 3.77Å; P9-I45 HydrophobicContact CB-CG1 4.4Å; P9-V48 HydrophobicContact CB-CB 4.35Å; P9-V48 HydrophobicContact CB-CG2 3.92Å
10M94.2Very high86.1Confident62 Ų6270.7 Ų70.731%0.30535%0.346SS..Hα-helixtrans-64.8-40.3177.5-174.365.381.600112.6N7 K8 A13 T14 V48 K52N7-M10 HydrophobicContact CB-CB 3.79Å; N7-M10 WeakPolarHBondContact O-CB 3.32Å; N7-M10 PolarHBondContact O-N 3.33Å; N7-M10 VanDerWaalsContact OD1-CB 3.29Å; N7-M10 WeakPolarHBondContact OD1-CB 3.28Å; N7-M10 PolarHBondContact OD1-N 2.81Å; N7-M10 VanDerWaalsContact OD1-N 3.09Å; K8-M10 VanDerWaalsContact C-N 3.32Å; K8-M10 PolarHBondContact O-N 2.98Å; M10-A13 PolarHBondContact O-N 2.97Å; M10-T14 WeakPolarHBondContact O-CB 3.47Å; M10-T14 PolarHBondContact O-N 3.4Å; M10-T14 PolarHBondContact O-OG1 2.66Å; M10-V48 HydrophobicContact CB-CG1 4.01Å; M10-V48 HydrophobicContact CE-CG1 3.61Å; M10-V48 HydrophobicContact CG-CG1 4.46Å; M10-V48 HydrophobicContact SD-CG1 3.55Å; M10-V48 VanDerWaalsContact SD-CG1 3.55Å; M10-K52 HydrophobicContact CE-CD 4.33Å; M10-K52 HydrophobicContact SD-CB 4.16Å; M10-K52 HydrophobicContact SD-CD 3.29Å; M10-K52 WeakPolarHBondContact SD-CD 3.3Å; M10-K52 HydrophobicContact SD-CG 4.27Å
11Y94.4Very high86.5Confident91 Ų9172.1 Ų72.136%0.35735%0.348SS..Hα-helixtrans-58-50.4174.8170.3-98.6000111.1Y4 N7 K8 T14 L15Y4-Y11 AromaticContact CD2-CD1 3.66Å; Y4-Y11 HydrophobicContact CD2-CD1 3.66Å; Y4-Y11 AromaticContact CD2-CE1 3.9Å; Y4-Y11 HydrophobicContact CD2-CE1 3.9Å; Y4-Y11 HydrophobicContact CD2-CG 4.24Å; Y4-Y11 HydrophobicContact CE2-CD1 4.38Å; N7-Y11 PolarHBondContact O-N 3.04Å; K8-Y11 WeakPolarHBondContact O-CB 3.34Å; K8-Y11 PolarHBondContact O-N 3.19Å; Y11-T14 PolarHBondContact O-N 3.24Å; Y11-L15 HydrophobicContact CE1-CD1 4.07Å; Y11-L15 WeakPolarHBondContact O-CB 3.39Å; Y11-L15 PolarHBondContact O-N 3.15Å
12F94.8Very high88.2Confident25 Ų2566.1 Ų66.111%0.1132%0.316CS..Hα-helixtrans-67.5-37.8178.7-75.7-73.5000113Y4 K8 P9 T14 L15 I16 R37 I45Y4-F12 AromaticContact CE2-CE2 3.83Å; Y4-F12 HydrophobicContact CE2-CE2 3.83Å; Y4-F12 HydrophobicContact CE2-CZ 4.03Å; K8-F12 HydrophobicContact CD-CE2 4.25Å; K8-F12 HydrophobicContact CG-CD2 3.88Å; K8-F12 HydrophobicContact CG-CE2 3.61Å; K8-F12 VanDerWaalsContact O-CD2 3.23Å; K8-F12 WeakPolarHBondContact O-CD2 3.07Å; K8-F12 PolarHBondContact O-N 2.93Å; K8-F12 VanDerWaalsContact O-N 3.14Å; P9-F12 PolarHBondContact O-N 3.46Å; F12-T14 PolarHBondContact O-N 3.25Å; F12-L15 PolarHBondContact O-N 3.44Å; F12-I16 WeakPolarHBondContact O-CB 3.38Å; F12-I16 VanDerWaalsContact O-CG1 3.24Å; F12-I16 WeakPolarHBondContact O-CG1 3.3Å; F12-I16 PolarHBondContact O-N 2.94Å; F12-R37 VanDerWaalsContact CE2-CZ 3.48Å; F12-I45 HydrophobicContact CB-CD1 3.6Å; F12-I45 HydrophobicContact CB-CG1 3.97Å; F12-I45 HydrophobicContact CB-CG2 4.25Å; F12-I45 HydrophobicContact CD2-CD1 4.35Å; F12-I45 HydrophobicContact CG-CD1 4.06Å
13A95.6Very high89.6Confident0 Ų067 Ų670%033%0.327CS..Hα-helixtrans-59.2-40.6174.200000111.3P9 M10 H17 I45 V48 Y49P9-A13 WeakPolarHBondContact O-CB 3.48Å; P9-A13 PolarHBondContact O-N 3.43Å; M10-A13 PolarHBondContact O-N 2.97Å; A13-H17 WeakPolarHBondContact O-CB 3.46Å; A13-H17 PolarHBondContact O-N 3.21Å; A13-H17 VanDerWaalsContact O-N 3.08Å; A13-I45 HydrophobicContact CB-CG2 4.15Å; A13-V48 HydrophobicContact CB-CG1 4.22Å; A13-Y49 HydrophobicContact CB-CD2 4.14Å; A13-Y49 WeakPolarHBondContact O-CD2 3.13Å
14T94.8Very high90.9Very high33 Ų3368.8 Ų68.820%0.20234%0.335CS..Hα-helixtrans-66.9-48177-49.30000111.6M10 Y11 F12 I16 H17 D18 K52 Y53M10-T14 WeakPolarHBondContact O-CB 3.47Å; M10-T14 PolarHBondContact O-N 3.4Å; M10-T14 PolarHBondContact O-OG1 2.66Å; Y11-T14 PolarHBondContact O-N 3.24Å; F12-T14 PolarHBondContact O-N 3.25Å; T14-I16 VanDerWaalsContact C-N 3.32Å; T14-I16 PolarHBondContact O-N 3.32Å; T14-H17 PolarHBondContact O-N 2.88Å; T14-D18 WeakPolarHBondContact O-CB 3.31Å; T14-D18 PolarHBondContact O-N 2.97Å; T14-K52 PolarHBondContact OG1-NZ 3.42Å; T14-Y53 WeakPolarHBondContact CA-OH 3.37Å
15L94Very high92Very high42 Ų4266.2 Ų66.222%0.2233%0.328CS..Hα-helixtrans-59.3-42.8179.2-173151.5000112.1Y11 F12 E19 F33Y11-L15 HydrophobicContact CE1-CD1 4.07Å; Y11-L15 WeakPolarHBondContact O-CB 3.39Å; Y11-L15 PolarHBondContact O-N 3.15Å; F12-L15 PolarHBondContact O-N 3.44Å; L15-E19 WeakPolarHBondContact O-CB 3.48Å; L15-E19 PolarHBondContact O-N 3.06Å; L15-F33 HydrophobicContact CD2-CD1 4.5Å; L15-F33 HydrophobicContact CD2-CD2 4.22Å; L15-F33 HydrophobicContact CD2-CE1 4.11Å; L15-F33 HydrophobicContact CD2-CE2 3.82Å; L15-F33 HydrophobicContact CD2-CZ 3.76Å
16I94.8Very high92.8Very high5 Ų565.3 Ų65.33%0.02632%0.316CS..Hα-helixtrans-65.4-44.8177.6-69167.6000111F12 T14 E19 L20 I45 Y49 L57F12-I16 WeakPolarHBondContact O-CB 3.38Å; F12-I16 VanDerWaalsContact O-CG1 3.24Å; F12-I16 WeakPolarHBondContact O-CG1 3.3Å; F12-I16 PolarHBondContact O-N 2.94Å; T14-I16 VanDerWaalsContact C-N 3.32Å; T14-I16 PolarHBondContact O-N 3.32Å; I16-E19 PolarHBondContact O-N 3.33Å; I16-L20 HydrophobicContact CG2-CD1 3.55Å; I16-L20 HydrophobicContact CG2-CG 4.35Å; I16-L20 WeakPolarHBondContact O-CB 3.47Å; I16-L20 VanDerWaalsContact O-CG 3.31Å; I16-L20 WeakPolarHBondContact O-CG 3.39Å; I16-L20 PolarHBondContact O-N 3.18Å; I16-I45 HydrophobicContact CD1-CG2 3.91Å; I16-Y49 HydrophobicContact CB-CE2 4.45Å; I16-Y49 HydrophobicContact CG2-CE2 4.11Å; I16-L57 HydrophobicContact CD1-CD2 4.45Å; I16-L57 HydrophobicContact CG2-CD1 3.49Å; I16-L57 VanDerWaalsContact CG2-CD1 3.49Å; I16-L57 HydrophobicContact CG2-CD2 4.4Å
17H95.5Very high93.4Very high35 Ų3563 Ų6316%0.16231%0.307CS..Hα-helixtrans-60.5-49177.8175.3-83.4000110.9A13 T14 E19 L20 Y21 Y49 Y53A13-H17 WeakPolarHBondContact O-CB 3.46Å; A13-H17 PolarHBondContact O-N 3.21Å; A13-H17 VanDerWaalsContact O-N 3.08Å; T14-H17 PolarHBondContact O-N 2.88Å; H17-E19 VanDerWaalsContact C-N 3.27Å; H17-E19 PolarHBondContact O-N 3.36Å; H17-L20 PolarHBondContact O-N 3.32Å; H17-Y21 AromaticContact CD2-CD2 3.91Å; H17-Y21 AromaticContact CD2-CE2 3.8Å; H17-Y21 AromaticContact CE1-CD2 4Å; H17-Y21 AromaticContact NE2-CD2 3.75Å; H17-Y21 AromaticContact NE2-CE2 3.67Å; H17-Y21 WeakPolarHBondContact O-CD2 3.49Å; H17-Y21 PolarHBondContact O-N 2.97Å; H17-Y21 VanDerWaalsContact O-N 3.14Å; H17-Y49 HydrophobicContact CB-CE2 3.61Å; H17-Y53 HydrophobicContact CB-CD2 4.1Å; H17-Y53 HydrophobicContact CB-CE1 4.05Å; H17-Y53 HydrophobicContact CB-CE2 3.47Å; H17-Y53 VanDerWaalsContact CB-CE2 3.47Å; H17-Y53 VanDerWaalsContact CB-CZ 3.42Å; H17-Y53 AromaticContact CD2-CD1 3.35Å; H17-Y53 WeakPolarHBondContact CD2-CD1 3.5Å; H17-Y53 AromaticContact CD2-CD2 3.87Å; H17-Y53 AromaticContact CD2-CE1 3.42Å; H17-Y53 VanDerWaalsContact CD2-CE1 3.42Å; H17-Y53 WeakPolarHBondContact CD2-CE1 3.48Å; H17-Y53 AromaticContact CD2-CE2 3.95Å; H17-Y53 AromaticContact CD2-CG 3.58Å; H17-Y53 AromaticContact CD2-CZ 3.72Å; H17-Y53 AromaticContact CE1-CE1 3.7Å; H17-Y53 AromaticContact CG-CD1 3.86Å; H17-Y53 AromaticContact CG-CE1 3.41Å; H17-Y53 VanDerWaalsContact CG-CE1 3.41Å; H17-Y53 AromaticContact CG-CE2 3.74Å; H17-Y53 AromaticContact CG-CZ 3.34Å; H17-Y53 AromaticContact ND1-CE1 3.58Å; H17-Y53 AromaticContact ND1-CZ 3.77Å; H17-Y53 AromaticContact NE2-CD1 3.48Å; H17-Y53 WeakPolarHBondContact NE2-CD1 3.46Å; H17-Y53 AromaticContact NE2-CE1 3.59Å
18D94.5Very high93.6Very high83 Ų8364.7 Ų64.744%0.44432%0.315SS..Hα-helixtrans-59.9-40.2-179.5-65-10.2000110.8T14 Y21 K22T14-D18 WeakPolarHBondContact O-CB 3.31Å; T14-D18 PolarHBondContact O-N 2.97Å; D18-Y21 PolarHBondContact O-N 2.89Å; D18-K22 WeakPolarHBondContact O-CG 3.42Å; D18-K22 PolarHBondContact O-N 3.5Å
19E94.5Very high93.6Very high27 Ų2760.7 Ų60.713%0.12630%0.299CS..Hα-helixtrans-67.2-40.6176.4-162.260.6-134.400113.1L15 I16 H17 Y21 K22 D26 I30L15-E19 WeakPolarHBondContact O-CB 3.48Å; L15-E19 PolarHBondContact O-N 3.06Å; I16-E19 PolarHBondContact O-N 3.33Å; H17-E19 VanDerWaalsContact C-N 3.27Å; H17-E19 PolarHBondContact O-N 3.36Å; E19-Y21 PolarHBondContact O-N 2.98Å; E19-K22 IonicContact OE1-NZ 3.69Å; E19-K22 WeakPolarHBondContact OE2-CE 3.44Å; E19-K22 IonicContact OE2-NZ 2.66Å; E19-K22 PolarHBondContact OE2-NZ 3.14Å; E19-D26 WeakPolarHBondContact OE1-CB 3.45Å; E19-D26 PolarHBondContact OE1-N 2.91Å; E19-I30 HydrophobicContact CB-CD1 4.21Å; E19-I30 HydrophobicContact CB-CG1 3.99Å; E19-I30 HydrophobicContact CG-CD1 3.68Å; E19-I30 HydrophobicContact CG-CG1 3.41Å; E19-I30 VanDerWaalsContact CG-CG1 3.41Å
20L94.8Very high93.5Very high0 Ų059.6 Ų59.60%029%0.292CS..Hα-helixtrans-71.3-15.1-179.6-75166.4000114.1I16 H17 I30 L57 D60 R63 I64I16-L20 HydrophobicContact CG2-CD1 3.55Å; I16-L20 HydrophobicContact CG2-CG 4.35Å; I16-L20 WeakPolarHBondContact O-CB 3.47Å; I16-L20 VanDerWaalsContact O-CG 3.31Å; I16-L20 WeakPolarHBondContact O-CG 3.39Å; I16-L20 PolarHBondContact O-N 3.18Å; H17-L20 PolarHBondContact O-N 3.32Å; L20-I30 HydrophobicContact CD2-CD1 3.66Å; L20-I30 HydrophobicContact CD2-CG2 4.28Å; L20-I30 HydrophobicContact CG-CD1 4.04Å; L20-L57 HydrophobicContact CD1-CD1 3.72Å; L20-D60 HydrophobicContact CD1-CB 3.88Å; L20-R63 PolarHBondContact O-NH2 3.34Å; L20-I64 HydrophobicContact CD2-CG1 3.82Å
21Y94.2Very high93.4Very high100 Ų10058.9 Ų58.939%0.39229%0.288SS..THydrogen-bonded Turntrans-116.15.9-178-80.7-99.5000113.8H17 D18 E19 D60 R63H17-Y21 AromaticContact CD2-CD2 3.91Å; H17-Y21 AromaticContact CD2-CE2 3.8Å; H17-Y21 AromaticContact CE1-CD2 4Å; H17-Y21 AromaticContact NE2-CD2 3.75Å; H17-Y21 AromaticContact NE2-CE2 3.67Å; H17-Y21 WeakPolarHBondContact O-CD2 3.49Å; H17-Y21 PolarHBondContact O-N 2.97Å; H17-Y21 VanDerWaalsContact O-N 3.14Å; D18-Y21 PolarHBondContact O-N 2.89Å; E19-Y21 PolarHBondContact O-N 2.98Å; Y21-D60 PolarHBondContact OH-OD1 2.72Å; Y21-R63 VanDerWaalsContact CE1-NH1 3.26Å; Y21-R63 VanDerWaalsContact CE2-NH2 3.28Å
22K93.8Very high93.4Very high104 Ų10460.4 Ų60.445%0.45229%0.293SS..SBendtrans-64.5153.2168-82.7167.6-171.9-1780111D18 E19 L24 I25D18-K22 WeakPolarHBondContact O-CG 3.42Å; D18-K22 PolarHBondContact O-N 3.5Å; E19-K22 IonicContact OE1-NZ 3.69Å; E19-K22 WeakPolarHBondContact OE2-CE 3.44Å; E19-K22 IonicContact OE2-NZ 2.66Å; E19-K22 PolarHBondContact OE2-NZ 3.14Å; K22-L24 VanDerWaalsContact C-N 3.32Å; K22-I25 VanDerWaalsContact O-CG1 3.3Å; K22-I25 WeakPolarHBondContact O-CG1 3.38Å
23E91.2Very high93.3Very high198 Ų19862.8 Ų62.893%0.92530%0.303SS*.SBendtrans-61.8-41.7172.3-175.3178.1-172.900111.5
24L92.4Very high93.2Very high154 Ų15462.9 Ų62.981%0.80630%0.304SS*.SBendtrans-112.6106.3172.9-64175.3000109.1K22K22-L24 VanDerWaalsContact C-N 3.32Å
25I92Very high93.1Very high52 Ų5265.6 Ų65.627%0.26732%0.317SS..  trans-87.2123.1-175-60176000109.8K22 V27 I30 I64K22-I25 VanDerWaalsContact O-CG1 3.3Å; K22-I25 WeakPolarHBondContact O-CG1 3.38Å; I25-V27 VanDerWaalsContact C-N 3.3Å; I25-V27 HydrophobicContact CG2-CG2 4.22Å; I25-V27 PolarHBondContact O-N 3.15Å; I25-I30 HydrophobicContact CG2-CD1 3.37Å; I25-I64 HydrophobicContact CD1-CD1 3.34Å; I25-I64 HydrophobicContact CD1-CG1 4.08Å; I25-I64 HydrophobicContact CG2-CG2 4.32Å
26D91.2Very high93.1Very high74 Ų7470.2 Ų70.240%0.39634%0.335SS..  trans-77.283.3168.2-179.110.9000110.2E19 L28 G29 I30 R32E19-D26 WeakPolarHBondContact OE1-CB 3.45Å; E19-D26 PolarHBondContact OE1-N 2.91Å; D26-L28 VanDerWaalsContact C-N 3.29Å; D26-L28 PolarHBondContact O-N 3.27Å; D26-L28 PolarHBondContact OD1-N 2.93Å; D26-G29 VanDerWaalsContact CG-N 3.27Å; D26-G29 WeakPolarHBondContact O-CA 3.16Å; D26-G29 PolarHBondContact O-N 3.39Å; D26-G29 VanDerWaalsContact O-N 3.1Å; D26-G29 PolarHBondContact OD1-N 3.36Å; D26-G29 VanDerWaalsContact OD2-CA 3.28Å; D26-G29 WeakPolarHBondContact OD2-CA 3.44Å; D26-G29 PolarHBondContact OD2-N 3.37Å; D26-I30 PolarHBondContact O-N 2.93Å; D26-R32 IonicContact OD2-NH2 3.78Å
27V90.9Very high93.1Very high57 Ų5770.8 Ų70.835%0.34534%0.337SS..Hα-helixtrans-53.9-44.9179.4179.90000111.2I25 G29 I30 Q31 I64 Y65I25-V27 VanDerWaalsContact C-N 3.3Å; I25-V27 HydrophobicContact CG2-CG2 4.22Å; I25-V27 PolarHBondContact O-N 3.15Å; V27-G29 VanDerWaalsContact C-N 3.34Å; V27-G29 PolarHBondContact O-N 2.94Å; V27-I30 PolarHBondContact O-N 3.37Å; V27-Q31 WeakPolarHBondContact O-CG 3.47Å; V27-Q31 PolarHBondContact O-N 2.64Å; V27-I64 HydrophobicContact CG2-CG2 4.26Å; V27-Y65 HydrophobicContact CG1-CD1 4.15Å; V27-Y65 HydrophobicContact CG1-CE1 3.27Å; V27-Y65 PolarHBondContact O-OH 3.5Å
28L91.3Very high93Very high102 Ų10271.1 Ų71.153%0.53434%0.343SS..Hα-helixtrans-69.6-34.8-179.8-62.4179.8000111.6D26 R32D26-L28 VanDerWaalsContact C-N 3.29Å; D26-L28 PolarHBondContact O-N 3.27Å; D26-L28 PolarHBondContact OD1-N 2.93Å; L28-R32 WeakPolarHBondContact O-CG 3.42Å; L28-R32 PolarHBondContact O-N 3.33Å
29G91.9Very high92.8Very high4 Ų475.5 Ų75.54%0.04136%0.361CS..Hα-helixtrans-58.8-52.6172.600000112.1D26 V27 Q31 R32 F33D26-G29 VanDerWaalsContact CG-N 3.27Å; D26-G29 WeakPolarHBondContact O-CA 3.16Å; D26-G29 PolarHBondContact O-N 3.39Å; D26-G29 VanDerWaalsContact O-N 3.1Å; D26-G29 PolarHBondContact OD1-N 3.36Å; D26-G29 VanDerWaalsContact OD2-CA 3.28Å; D26-G29 WeakPolarHBondContact OD2-CA 3.44Å; D26-G29 PolarHBondContact OD2-N 3.37Å; V27-G29 VanDerWaalsContact C-N 3.34Å; V27-G29 PolarHBondContact O-N 2.94Å; G29-Q31 VanDerWaalsContact C-N 3.34Å; G29-Q31 PolarHBondContact O-N 3.45Å; G29-R32 PolarHBondContact O-N 2.95Å; G29-F33 WeakPolarHBondContact O-CD2 3.31Å; G29-F33 PolarHBondContact O-N 3.01Å
30I92.2Very high92.7Very high4 Ų479.9 Ų79.92%0.02138%0.384CS..Hα-helixtrans-60.4-43.6178.4-66.9159.5000111.1E19 L20 I25 D26 V27 R32 F33 L34 Y65E19-I30 HydrophobicContact CB-CD1 4.21Å; E19-I30 HydrophobicContact CB-CG1 3.99Å; E19-I30 HydrophobicContact CG-CD1 3.68Å; E19-I30 HydrophobicContact CG-CG1 3.41Å; E19-I30 VanDerWaalsContact CG-CG1 3.41Å; L20-I30 HydrophobicContact CD2-CD1 3.66Å; L20-I30 HydrophobicContact CD2-CG2 4.28Å; L20-I30 HydrophobicContact CG-CD1 4.04Å; I25-I30 HydrophobicContact CG2-CD1 3.37Å; D26-I30 PolarHBondContact O-N 2.93Å; V27-I30 PolarHBondContact O-N 3.37Å; I30-R32 PolarHBondContact O-N 2.87Å; I30-F33 PolarHBondContact O-N 3.21Å; I30-L34 HydrophobicContact CG2-CD1 3.96Å; I30-L34 HydrophobicContact CG2-CG 4.23Å; I30-L34 WeakPolarHBondContact O-CG 3.42Å; I30-L34 PolarHBondContact O-N 3.18Å; I30-Y65 WeakPolarHBondContact CB-OH 3.16Å; I30-Y65 HydrophobicContact CG2-CE2 4.24Å; I30-Y65 WeakPolarHBondContact CG2-OH 3.38Å
31Q92.8Very high92.6Very high47 Ų4781.3 Ų81.322%0.2239%0.392CS..Hα-helixtrans-56.2-49.7176.2-76.1176.2-12.100111.9V27 G29 F33 L34 L35 Y65 L73V27-Q31 WeakPolarHBondContact O-CG 3.47Å; V27-Q31 PolarHBondContact O-N 2.64Å; G29-Q31 VanDerWaalsContact C-N 3.34Å; G29-Q31 PolarHBondContact O-N 3.45Å; Q31-F33 VanDerWaalsContact C-N 3.33Å; Q31-F33 PolarHBondContact O-N 3.23Å; Q31-L34 PolarHBondContact O-N 3.2Å; Q31-L35 WeakPolarHBondContact O-CB 3.23Å; Q31-L35 WeakPolarHBondContact O-CG 3.24Å; Q31-L35 PolarHBondContact O-N 3.17Å; Q31-Y65 HydrophobicContact CG-CE1 3.59Å; Q31-L73 HydrophobicContact CG-CD1 4.19Å; Q31-L73 HydrophobicContact CG-CD2 4.49Å
32R93.8Very high92.7Very high122 Ų12276.6 Ų76.646%0.4637%0.373SS..Hα-helixtrans-60.4-43.4177.1-73.2-174.5-62.4-94-1.2111.4D26 L28 G29 I30 L35 F36D26-R32 IonicContact OD2-NH2 3.78Å; L28-R32 WeakPolarHBondContact O-CG 3.42Å; L28-R32 PolarHBondContact O-N 3.33Å; G29-R32 PolarHBondContact O-N 2.95Å; I30-R32 PolarHBondContact O-N 2.87Å; R32-L35 PolarHBondContact O-N 3.05Å; R32-F36 HydrophobicContact CB-CD2 4.21Å; R32-F36 HydrophobicContact CB-CE2 4.03Å; R32-F36 HydrophobicContact CG-CE2 4.45Å; R32-F36 WeakPolarHBondContact O-CB 3.45Å; R32-F36 WeakPolarHBondContact O-CD2 3.48Å; R32-F36 WeakPolarHBondContact O-CG 3.31Å; R32-F36 PolarHBondContact O-N 3.14Å
33F93.2Very high92.7Very high76 Ų7674.4 Ų74.433%0.33337%0.365SS..Hα-helixtrans-58.9-50175.9-82.8-63.2000111.8L15 G29 I30 Q31 L35 R37L15-F33 HydrophobicContact CD2-CD1 4.5Å; L15-F33 HydrophobicContact CD2-CD2 4.22Å; L15-F33 HydrophobicContact CD2-CE1 4.11Å; L15-F33 HydrophobicContact CD2-CE2 3.82Å; L15-F33 HydrophobicContact CD2-CZ 3.76Å; G29-F33 WeakPolarHBondContact O-CD2 3.31Å; G29-F33 PolarHBondContact O-N 3.01Å; I30-F33 PolarHBondContact O-N 3.21Å; Q31-F33 VanDerWaalsContact C-N 3.33Å; Q31-F33 PolarHBondContact O-N 3.23Å; F33-L35 PolarHBondContact O-N 3.14Å; F33-R37 VanDerWaalsContact O-CB 3.31Å; F33-R37 WeakPolarHBondContact O-CB 3.48Å; F33-R37 WeakPolarHBondContact O-CG 3.44Å; F33-R37 PolarHBondContact O-N 2.95Å
34L94Very high92.8Very high1 Ų168.2 Ų68.21%0.00534%0.341CS..Hα-helixtrans-61.1-44.5179.2-68.2175.5000111.4I30 Q31 S38 L42 L57 V61 L73 L77I30-L34 HydrophobicContact CG2-CD1 3.96Å; I30-L34 HydrophobicContact CG2-CG 4.23Å; I30-L34 WeakPolarHBondContact O-CG 3.42Å; I30-L34 PolarHBondContact O-N 3.18Å; Q31-L34 PolarHBondContact O-N 3.2Å; L34-S38 VanDerWaalsContact O-CB 3.27Å; L34-S38 WeakPolarHBondContact O-CB 3.4Å; L34-S38 PolarHBondContact O-N 3.31Å; L34-L42 HydrophobicContact CD2-CD1 3.78Å; L34-L42 HydrophobicContact CD2-CD2 4.39Å; L34-L57 HydrophobicContact CD2-CD2 4.17Å; L34-V61 HydrophobicContact CD1-CG2 3.88Å; L34-L73 HydrophobicContact CB-CD2 4.37Å; L34-L73 HydrophobicContact CD1-CB 4.48Å; L34-L73 HydrophobicContact CD1-CD1 4.35Å; L34-L73 HydrophobicContact CD1-CD2 4.18Å; L34-L77 HydrophobicContact CD2-CD2 4.45Å
35L93.1Very high93Very high90 Ų9060.9 Ų60.947%0.47130%0.302SS..Hα-helixtrans-60.3-55.8177.6-76.1165.6000111.9Q31 R32 F33 R37 S38 L76Q31-L35 WeakPolarHBondContact O-CB 3.23Å; Q31-L35 WeakPolarHBondContact O-CG 3.24Å; Q31-L35 PolarHBondContact O-N 3.17Å; R32-L35 PolarHBondContact O-N 3.05Å; F33-L35 PolarHBondContact O-N 3.14Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 3.28Å; L35-S38 WeakPolarHBondContact O-CB 3.24Å; L35-S38 PolarHBondContact O-N 3.27Å; L35-S38 VanDerWaalsContact O-N 3.15Å; L35-S38 PolarHBondContact O-OG 3.39Å; L35-L76 HydrophobicContact CD2-CD1 3.62Å; L35-L76 HydrophobicContact CG-CD1 4.11Å
36F93.8Very high93.2Very high139 Ų13959.6 Ų59.661%0.6130%0.296SS*.Hα-helixtrans-66.1-35-177-68.8-51.3000113R32 S38R32-F36 HydrophobicContact CB-CD2 4.21Å; R32-F36 HydrophobicContact CB-CE2 4.03Å; R32-F36 HydrophobicContact CG-CE2 4.45Å; R32-F36 WeakPolarHBondContact O-CB 3.45Å; R32-F36 WeakPolarHBondContact O-CD2 3.48Å; R32-F36 WeakPolarHBondContact O-CG 3.31Å; R32-F36 PolarHBondContact O-N 3.14Å; F36-S38 VanDerWaalsContact C-N 3.33Å
37R94.1Very high93.4Very high18 Ų1861.7 Ų61.77%0.06830%0.301CS..Hα-helixtrans-76-24.2177.2-58.1-58.1-81.6138.4-2.5111.9F12 F33 L35 E39 I40 D41 L42 I45F12-R37 VanDerWaalsContact CE2-CZ 3.48Å; F33-R37 VanDerWaalsContact O-CB 3.31Å; F33-R37 WeakPolarHBondContact O-CB 3.48Å; F33-R37 WeakPolarHBondContact O-CG 3.44Å; F33-R37 PolarHBondContact O-N 2.95Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 3.28Å; R37-E39 PolarHBondContact O-N 2.93Å; R37-I40 VanDerWaalsContact NH1-CG2 3.32Å; R37-I40 PolarHBondContact O-N 3.37Å; R37-D41 VanDerWaalsContact CZ-CG 3.44Å; R37-D41 IonicContact CZ-OD1 2.72Å; R37-D41 IonicContact CZ-OD2 3.4Å; R37-D41 IonicContact NE-OD1 3.37Å; R37-D41 PolarHBondContact NE-OD1 3.26Å; R37-D41 IonicContact NH1-OD1 2.88Å; R37-D41 PolarHBondContact NH1-OD1 3.38Å; R37-D41 IonicContact NH1-OD2 3.49Å; R37-D41 PolarHBondContact NH1-OD2 3.08Å; R37-D41 IonicContact NH2-OD1 2.74Å; R37-D41 PolarHBondContact NH2-OD1 2.96Å; R37-D41 IonicContact NH2-OD2 2.66Å; R37-D41 PolarHBondContact NH2-OD2 2.54Å; R37-D41 PolarHBondContact O-N 3.33Å; R37-L42 HydrophobicContact CB-CB 4.14Å; R37-L42 HydrophobicContact CB-CD1 4.25Å; R37-L42 WeakPolarHBondContact O-CB 3.37Å; R37-L42 PolarHBondContact O-N 3.23Å; R37-I45 HydrophobicContact CB-CD1 4.05Å; R37-I45 HydrophobicContact CG-CD1 4.14Å
38S93.3Very high93.6Very high42 Ų4260.4 Ų60.429%0.29429%0.293SS..Hα-helixtrans-58.9-31.2-179.774.70000113.4L34 L35 F36L34-S38 VanDerWaalsContact O-CB 3.27Å; L34-S38 WeakPolarHBondContact O-CB 3.4Å; L34-S38 PolarHBondContact O-N 3.31Å; L35-S38 WeakPolarHBondContact O-CB 3.24Å; L35-S38 PolarHBondContact O-N 3.27Å; L35-S38 VanDerWaalsContact O-N 3.15Å; L35-S38 PolarHBondContact O-OG 3.39Å; F36-S38 VanDerWaalsContact C-N 3.33Å
39E89.6Confident93.9Very high174 Ų17455.5 Ų55.581%0.81327%0.268SS*.THydrogen-bonded Turntrans-82.5-20.5177.6-61.9-172.9165.600113.6R37R37-E39 PolarHBondContact O-N 2.93Å
40I92.5Very high94.2Very high119 Ų11959.5 Ų59.561%0.6128%0.284SS*.THydrogen-bonded Turntrans-102.8-62.4-171.7-55.3170.6000110.7R37R37-I40 VanDerWaalsContact NH1-CG2 3.32Å; R37-I40 PolarHBondContact O-N 3.37Å
41D94.1Very high94.4Very high30 Ų3063.5 Ų63.516%0.1632%0.318CS..THydrogen-bonded Turntrans-165.621.7-168.8630.4000114.3R37 H43 T44 I45R37-D41 VanDerWaalsContact CZ-CG 3.44Å; R37-D41 IonicContact CZ-OD1 2.72Å; R37-D41 IonicContact CZ-OD2 3.4Å; R37-D41 IonicContact NE-OD1 3.37Å; R37-D41 PolarHBondContact NE-OD1 3.26Å; R37-D41 IonicContact NH1-OD1 2.88Å; R37-D41 PolarHBondContact NH1-OD1 3.38Å; R37-D41 IonicContact NH1-OD2 3.49Å; R37-D41 PolarHBondContact NH1-OD2 3.08Å; R37-D41 IonicContact NH2-OD1 2.74Å; R37-D41 PolarHBondContact NH2-OD1 2.96Å; R37-D41 IonicContact NH2-OD2 2.66Å; R37-D41 PolarHBondContact NH2-OD2 2.54Å; R37-D41 PolarHBondContact O-N 3.33Å; D41-H43 PolarHBondContact O-N 3.22Å; D41-H43 VanDerWaalsContact O-N 3.1Å; D41-T44 WeakPolarHBondContact O-CA 3.48Å; D41-T44 WeakPolarHBondContact O-CB 3.35Å; D41-T44 PolarHBondContact O-N 3.41Å; D41-I45 PolarHBondContact O-N 3.26Å; D41-I45 WeakPolarHBondContact OD1-CD1 3.43Å
42L95.1Very high94.6Very high2 Ų265.6 Ų65.61%0.0133%0.326CS..Hα-helixtrans-53.5-36.2-179.9-178.162.5000112.6L34 R37 T44 I45 D46 L57 L76 L77L34-L42 HydrophobicContact CD2-CD1 3.78Å; L34-L42 HydrophobicContact CD2-CD2 4.39Å; R37-L42 HydrophobicContact CB-CB 4.14Å; R37-L42 HydrophobicContact CB-CD1 4.25Å; R37-L42 WeakPolarHBondContact O-CB 3.37Å; R37-L42 PolarHBondContact O-N 3.23Å; L42-T44 VanDerWaalsContact C-N 3.3Å; L42-T44 PolarHBondContact O-N 2.95Å; L42-I45 WeakPolarHBondContact O-CB 3.28Å; L42-I45 PolarHBondContact O-N 3.49Å; L42-D46 WeakPolarHBondContact O-CB 3.33Å; L42-D46 PolarHBondContact O-N 3.49Å; L42-L57 HydrophobicContact CD1-CD2 4.37Å; L42-L76 HydrophobicContact CD2-CB 4.09Å; L42-L77 HydrophobicContact CD1-CD2 3.99Å; L42-L77 HydrophobicContact CD2-CD2 3.78Å; L42-L77 HydrophobicContact CD2-CG 4.41Å; L42-L77 HydrophobicContact CG-CD2 3.8Å
43H93.7Very high94.7Very high58 Ų5862.4 Ų62.427%0.26931%0.314SS..Hα-helixtrans-66.3-32177.1-176.860.2000113.1D41 K47D41-H43 PolarHBondContact O-N 3.22Å; D41-H43 VanDerWaalsContact O-N 3.1Å; H43-K47 WeakPolarHBondContact NE2-CE 3.47Å; H43-K47 PolarHBondContact NE2-NZ 2.88Å; H43-K47 WeakPolarHBondContact O-CG 3.42Å; H43-K47 PolarHBondContact O-N 3.43Å
44T94.4Very high94.9Very high68 Ų6861.8 Ų61.842%0.41733%0.329SS..Hα-helixtrans-72.6-40.7173.1-550000110.1P9 D41 L42 K47 V48P9-T44 HydrophobicContact CB-CG2 4.04Å; P9-T44 HydrophobicContact CG-CG2 3.77Å; D41-T44 WeakPolarHBondContact O-CA 3.48Å; D41-T44 WeakPolarHBondContact O-CB 3.35Å; D41-T44 PolarHBondContact O-N 3.41Å; L42-T44 VanDerWaalsContact C-N 3.3Å; L42-T44 PolarHBondContact O-N 2.95Å; T44-K47 PolarHBondContact O-N 3.06Å; T44-V48 WeakPolarHBondContact O-CG2 3.27Å; T44-V48 PolarHBondContact O-N 2.73Å; T44-V48 VanDerWaalsContact O-N 3.14Å
45I95.9Very high95Very high0 Ų064.7 Ų64.70%034%0.344CS..Hα-helixtrans-60.3-47.4174.4-65.9164.7000110.7P9 F12 A13 I16 R37 D41 L42 K47 V48 Y49P9-I45 HydrophobicContact CB-CG1 4.4Å; F12-I45 HydrophobicContact CB-CD1 3.6Å; F12-I45 HydrophobicContact CB-CG1 3.97Å; F12-I45 HydrophobicContact CB-CG2 4.25Å; F12-I45 HydrophobicContact CD2-CD1 4.35Å; F12-I45 HydrophobicContact CG-CD1 4.06Å; A13-I45 HydrophobicContact CB-CG2 4.15Å; I16-I45 HydrophobicContact CD1-CG2 3.91Å; R37-I45 HydrophobicContact CB-CD1 4.05Å; R37-I45 HydrophobicContact CG-CD1 4.14Å; D41-I45 PolarHBondContact O-N 3.26Å; D41-I45 WeakPolarHBondContact OD1-CD1 3.43Å; L42-I45 WeakPolarHBondContact O-CB 3.28Å; L42-I45 PolarHBondContact O-N 3.49Å; I45-K47 VanDerWaalsContact C-N 3.32Å; I45-K47 PolarHBondContact O-N 3.02Å; I45-V48 CarbonylContact O-C 3.58Å; I45-V48 PolarHBondContact O-N 3.22Å; I45-V48 VanDerWaalsContact O-N 3.1Å; I45-Y49 WeakPolarHBondContact O-CB 3.37Å; I45-Y49 PolarHBondContact O-N 2.94Å
46D95.8Very high95.2Very high24 Ų2465.6 Ų65.613%0.12834%0.342CS..Hα-helixtrans-56.7-43.2178.7174.956.1000112.1L42 V48 Y49 K50 L57 L77L42-D46 WeakPolarHBondContact O-CB 3.33Å; L42-D46 PolarHBondContact O-N 3.49Å; D46-V48 PolarHBondContact O-N 2.74Å; D46-Y49 WeakPolarHBondContact O-CB 3.43Å; D46-Y49 PolarHBondContact O-N 3.34Å; D46-K50 PolarHBondContact O-N 3.32Å; D46-L57 WeakPolarHBondContact OD1-CB 3.33Å; D46-L77 HydrophobicContact CB-CD2 4.41Å
47K95.4Very high95.3Very high119 Ų11959 Ų5952%0.51731%0.313SS..Hα-helixtrans-61.7-44.4174.2-74.2175.3176.5173.30112.8H43 T44 I45 A51H43-K47 WeakPolarHBondContact NE2-CE 3.47Å; H43-K47 PolarHBondContact NE2-NZ 2.88Å; H43-K47 WeakPolarHBondContact O-CG 3.42Å; H43-K47 PolarHBondContact O-N 3.43Å; T44-K47 PolarHBondContact O-N 3.06Å; I45-K47 VanDerWaalsContact C-N 3.32Å; I45-K47 PolarHBondContact O-N 3.02Å; K47-A51 WeakPolarHBondContact O-CB 3.27Å; K47-A51 PolarHBondContact O-N 2.66Å
48V96Very high95.3Very high29 Ų2959.6 Ų59.618%0.17632%0.32CS..Hα-helixtrans-70.1-37.1179.4174.20000111.1P9 M10 A13 T44 I45 D46 A51 K52P9-V48 HydrophobicContact CB-CB 4.35Å; P9-V48 HydrophobicContact CB-CG2 3.92Å; M10-V48 HydrophobicContact CB-CG1 4.01Å; M10-V48 HydrophobicContact CE-CG1 3.61Å; M10-V48 HydrophobicContact CG-CG1 4.46Å; M10-V48 HydrophobicContact SD-CG1 3.55Å; M10-V48 VanDerWaalsContact SD-CG1 3.55Å; A13-V48 HydrophobicContact CB-CG1 4.22Å; T44-V48 WeakPolarHBondContact O-CG2 3.27Å; T44-V48 PolarHBondContact O-N 2.73Å; T44-V48 VanDerWaalsContact O-N 3.14Å; I45-V48 CarbonylContact O-C 3.58Å; I45-V48 PolarHBondContact O-N 3.22Å; I45-V48 VanDerWaalsContact O-N 3.1Å; D46-V48 PolarHBondContact O-N 2.74Å; V48-A51 PolarHBondContact O-N 2.84Å; V48-K52 WeakPolarHBondContact O-CB 3.41Å; V48-K52 PolarHBondContact O-N 3.05Å
49Y97.2Very high95.4Very high0 Ų061.2 Ų61.20%033%0.326CS..Hα-helixtrans-57.1-53.6173.5-169.6-80.7000110.5A13 I16 H17 I45 D46 A51 K52 Y53 I55 L57 D60A13-Y49 HydrophobicContact CB-CD2 4.14Å; A13-Y49 WeakPolarHBondContact O-CD2 3.13Å; I16-Y49 HydrophobicContact CB-CE2 4.45Å; I16-Y49 HydrophobicContact CG2-CE2 4.11Å; H17-Y49 HydrophobicContact CB-CE2 3.61Å; I45-Y49 WeakPolarHBondContact O-CB 3.37Å; I45-Y49 PolarHBondContact O-N 2.94Å; D46-Y49 WeakPolarHBondContact O-CB 3.43Å; D46-Y49 PolarHBondContact O-N 3.34Å; Y49-A51 VanDerWaalsContact C-N 3.33Å; Y49-A51 PolarHBondContact O-N 3.41Å; Y49-K52 PolarHBondContact O-N 3.43Å; Y49-Y53 HydrophobicContact CD1-CD2 4.18Å; Y49-Y53 AromaticContact CD2-CD2 3.99Å; Y49-Y53 HydrophobicContact CD2-CD2 3.99Å; Y49-Y53 HydrophobicContact CD2-CE2 4.2Å; Y49-Y53 HydrophobicContact CE1-CD2 4.21Å; Y49-Y53 HydrophobicContact CE2-CD2 4.03Å; Y49-Y53 HydrophobicContact CE2-CE2 4.22Å; Y49-Y53 HydrophobicContact CG-CD2 4.07Å; Y49-Y53 WeakPolarHBondContact O-CD2 3.36Å; Y49-Y53 PolarHBondContact O-N 2.8Å; Y49-I55 WeakPolarHBondContact CD1-O 3.47Å; Y49-L57 HydrophobicContact CD1-CB 3.83Å; Y49-L57 HydrophobicContact CD2-CD1 4.2Å; Y49-L57 HydrophobicContact CE1-CB 4.16Å; Y49-L57 HydrophobicContact CE1-CD1 4.3Å; Y49-L57 HydrophobicContact CE2-CD1 3.91Å; Y49-L57 HydrophobicContact CG-CB 4.05Å; Y49-D60 WeakPolarHBondContact CE1-OD2 3.38Å; Y49-D60 PolarHBondContact OH-OD2 2.99Å
50K97.4Very high95.7Very high87 Ų8753.2 Ų53.238%0.37829%0.289SS..Hα-helixtrans-58.7-44.2176.4-173.8-172.3179.1-173.60112.1D46 K52 G54 I55 Y56D46-K50 PolarHBondContact O-N 3.32Å; K50-K52 VanDerWaalsContact C-N 3.3Å; K50-K52 PolarHBondContact O-N 3.26Å; K50-G54 WeakPolarHBondContact O-CA 3.47Å; K50-G54 PolarHBondContact O-N 3.22Å; K50-I55 WeakPolarHBondContact CA-O 3.37Å; K50-Y56 HydrophobicContact CD-CD1 3.75Å; K50-Y56 HydrophobicContact CD-CE1 3.45Å; K50-Y56 VanDerWaalsContact CD-CE1 3.45Å; K50-Y56 HydrophobicContact CD-CG 4.49Å; K50-Y56 VanDerWaalsContact CE-CE1 3.42Å; K50-Y56 HydrophobicContact CG-CD1 4.35Å; K50-Y56 HydrophobicContact CG-CE1 4.46Å; K50-Y56 VanDerWaalsContact NZ-CE1 3.31Å; K50-Y56 PolarHBondContact NZ-OH 3.11Å
51A97Very high95.8Very high88 Ų8847.6 Ų47.673%0.72726%0.259SS*.Hα-helixtrans-64.4-34.4179.800000112.8K47 V48 Y49K47-A51 WeakPolarHBondContact O-CB 3.27Å; K47-A51 PolarHBondContact O-N 2.66Å; V48-A51 PolarHBondContact O-N 2.84Å; Y49-A51 VanDerWaalsContact C-N 3.33Å; Y49-A51 PolarHBondContact O-N 3.41Å
52K96.8Very high95.8Very high91 Ų9151.6 Ų51.640%0.39628%0.275SS..Hα-helixtrans-83.1-43.4-178.5176.4165.2169.9-1770113.4M10 T14 V48 Y49 K50M10-K52 HydrophobicContact CE-CD 4.33Å; M10-K52 HydrophobicContact SD-CB 4.16Å; M10-K52 HydrophobicContact SD-CD 3.29Å; M10-K52 WeakPolarHBondContact SD-CD 3.3Å; M10-K52 HydrophobicContact SD-CG 4.27Å; T14-K52 PolarHBondContact OG1-NZ 3.42Å; V48-K52 WeakPolarHBondContact O-CB 3.41Å; V48-K52 PolarHBondContact O-N 3.05Å; Y49-K52 PolarHBondContact O-N 3.43Å; K50-K52 VanDerWaalsContact C-N 3.3Å; K50-K52 PolarHBondContact O-N 3.26Å
53Y97.3Very high95.7Very high55 Ų5556.3 Ų56.322%0.21629%0.293CS..Hα-helixtrans-104.7-10.8-170.3-63.1-69.9000114T14 H17 Y49 I55T14-Y53 WeakPolarHBondContact CA-OH 3.37Å; H17-Y53 HydrophobicContact CB-CD2 4.1Å; H17-Y53 HydrophobicContact CB-CE1 4.05Å; H17-Y53 HydrophobicContact CB-CE2 3.47Å; H17-Y53 VanDerWaalsContact CB-CE2 3.47Å; H17-Y53 VanDerWaalsContact CB-CZ 3.42Å; H17-Y53 AromaticContact CD2-CD1 3.35Å; H17-Y53 WeakPolarHBondContact CD2-CD1 3.5Å; H17-Y53 AromaticContact CD2-CD2 3.87Å; H17-Y53 AromaticContact CD2-CE1 3.42Å; H17-Y53 VanDerWaalsContact CD2-CE1 3.42Å; H17-Y53 WeakPolarHBondContact CD2-CE1 3.48Å; H17-Y53 AromaticContact CD2-CE2 3.95Å; H17-Y53 AromaticContact CD2-CG 3.58Å; H17-Y53 AromaticContact CD2-CZ 3.72Å; H17-Y53 AromaticContact CE1-CE1 3.7Å; H17-Y53 AromaticContact CG-CD1 3.86Å; H17-Y53 AromaticContact CG-CE1 3.41Å; H17-Y53 VanDerWaalsContact CG-CE1 3.41Å; H17-Y53 AromaticContact CG-CE2 3.74Å; H17-Y53 AromaticContact CG-CZ 3.34Å; H17-Y53 AromaticContact ND1-CE1 3.58Å; H17-Y53 AromaticContact ND1-CZ 3.77Å; H17-Y53 AromaticContact NE2-CD1 3.48Å; H17-Y53 WeakPolarHBondContact NE2-CD1 3.46Å; H17-Y53 AromaticContact NE2-CE1 3.59Å; Y49-Y53 HydrophobicContact CD1-CD2 4.18Å; Y49-Y53 AromaticContact CD2-CD2 3.99Å; Y49-Y53 HydrophobicContact CD2-CD2 3.99Å; Y49-Y53 HydrophobicContact CD2-CE2 4.2Å; Y49-Y53 HydrophobicContact CE1-CD2 4.21Å; Y49-Y53 HydrophobicContact CE2-CD2 4.03Å; Y49-Y53 HydrophobicContact CE2-CE2 4.22Å; Y49-Y53 HydrophobicContact CG-CD2 4.07Å; Y49-Y53 WeakPolarHBondContact O-CD2 3.36Å; Y49-Y53 PolarHBondContact O-N 2.8Å; Y53-I55 PolarHBondContact O-N 3.42Å
54G97.3Very high95.6Very high63 Ų6355.3 Ų55.365%0.64929%0.289SS*.SBendtrans72.91.1-17900000114.8K50K50-G54 WeakPolarHBondContact O-CA 3.47Å; K50-G54 PolarHBondContact O-N 3.22Å
55I96.2Very high95.4Very high63 Ų6352.7 Ų52.732%0.32327%0.272SS..SBendtrans-118.4145.3-179-58.4170000108.6Y49 K50 Y53 D59Y49-I55 WeakPolarHBondContact CD1-O 3.47Å; K50-I55 WeakPolarHBondContact CA-O 3.37Å; Y53-I55 PolarHBondContact O-N 3.42Å; I55-D59 HydrophobicContact CG2-CB 4.11Å
56Y95.9Very high95.2Very high109 Ų10961 Ų6143%0.42731%0.305SS..  trans-74.1136.7173.3-66.3-89000110.2K50 S58 D59 D60K50-Y56 HydrophobicContact CD-CD1 3.75Å; K50-Y56 HydrophobicContact CD-CE1 3.45Å; K50-Y56 VanDerWaalsContact CD-CE1 3.45Å; K50-Y56 HydrophobicContact CD-CG 4.49Å; K50-Y56 VanDerWaalsContact CE-CE1 3.42Å; K50-Y56 HydrophobicContact CG-CD1 4.35Å; K50-Y56 HydrophobicContact CG-CE1 4.46Å; K50-Y56 VanDerWaalsContact NZ-CE1 3.31Å; K50-Y56 PolarHBondContact NZ-OH 3.11Å; Y56-S58 WeakPolarHBondContact CB-OG 3.35Å; Y56-S58 PolarHBondContact O-N 3.04Å; Y56-S58 VanDerWaalsContact O-N 3.11Å; Y56-D59 WeakPolarHBondContact CD2-OD2 3.5Å; Y56-D59 WeakPolarHBondContact O-CB 3.33Å; Y56-D59 PolarHBondContact O-N 3.41Å; Y56-D60 PolarHBondContact O-N 3.04Å
57L96.5Very high95Very high0 Ų062.4 Ų62.40%033%0.325CS..Hα-helixtrans-57.4-30.6174.517854.8000111.5I16 L20 L34 L42 D46 Y49 D59 D60 V61 L77I16-L57 HydrophobicContact CD1-CD2 4.45Å; I16-L57 HydrophobicContact CG2-CD1 3.49Å; I16-L57 VanDerWaalsContact CG2-CD1 3.49Å; I16-L57 HydrophobicContact CG2-CD2 4.4Å; L20-L57 HydrophobicContact CD1-CD1 3.72Å; L34-L57 HydrophobicContact CD2-CD2 4.17Å; L42-L57 HydrophobicContact CD1-CD2 4.37Å; D46-L57 WeakPolarHBondContact OD1-CB 3.33Å; Y49-L57 HydrophobicContact CD1-CB 3.83Å; Y49-L57 HydrophobicContact CD2-CD1 4.2Å; Y49-L57 HydrophobicContact CE1-CB 4.16Å; Y49-L57 HydrophobicContact CE1-CD1 4.3Å; Y49-L57 HydrophobicContact CE2-CD1 3.91Å; Y49-L57 HydrophobicContact CG-CB 4.05Å; L57-D59 PolarHBondContact O-N 2.95Å; L57-D60 PolarHBondContact O-N 3.34Å; L57-V61 HydrophobicContact CD1-CG2 4.18Å; L57-V61 HydrophobicContact CG-CG2 4.37Å; L57-V61 WeakPolarHBondContact O-CB 3.43Å; L57-V61 VanDerWaalsContact O-CG2 3.24Å; L57-V61 WeakPolarHBondContact O-CG2 3.49Å; L57-V61 PolarHBondContact O-N 3.41Å; L57-L77 HydrophobicContact CD2-CD2 3.66Å; L57-L77 HydrophobicContact CG-CD1 4.25Å; L57-L77 HydrophobicContact CG-CD2 4.05Å
58S95Very high94.8Very high30 Ų3064.8 Ų64.821%0.2134%0.338CS..Hα-helixtrans-59.7-33.417356.30000113.9Y56 K62 L74Y56-S58 WeakPolarHBondContact CB-OG 3.35Å; Y56-S58 PolarHBondContact O-N 3.04Å; Y56-S58 VanDerWaalsContact O-N 3.11Å; S58-K62 WeakPolarHBondContact O-CB 3.44Å; S58-K62 VanDerWaalsContact O-CG 3.31Å; S58-K62 WeakPolarHBondContact O-CG 3.29Å; S58-K62 PolarHBondContact O-N 2.75Å; S58-L74 WeakPolarHBondContact O-CD2 3.38Å
59D95.4Very high94.4Very high77 Ų7771.7 Ų71.741%0.41236%0.362SS..Hα-helixtrans-76.2-41.8-177.9-60.8-22.1000110I55 Y56 L57 V61 K62 R63I55-D59 HydrophobicContact CG2-CB 4.11Å; Y56-D59 WeakPolarHBondContact CD2-OD2 3.5Å; Y56-D59 WeakPolarHBondContact O-CB 3.33Å; Y56-D59 PolarHBondContact O-N 3.41Å; L57-D59 PolarHBondContact O-N 2.95Å; D59-V61 PolarHBondContact O-N 3.36Å; D59-K62 PolarHBondContact O-N 3.38Å; D59-R63 PolarHBondContact O-N 3.1Å
60D95.5Very high94.1Very high6 Ų672 Ų723%0.03236%0.364CS..Hα-helixtrans-65.7-37.8173.4-72.7-35.5000112.3L20 Y21 Y49 Y56 L57 R63L20-D60 HydrophobicContact CD1-CB 3.88Å; Y21-D60 PolarHBondContact OH-OD1 2.72Å; Y49-D60 WeakPolarHBondContact CE1-OD2 3.38Å; Y49-D60 PolarHBondContact OH-OD2 2.99Å; Y56-D60 PolarHBondContact O-N 3.04Å; L57-D60 PolarHBondContact O-N 3.34Å; D60-R63 WeakPolarHBondContact O-CB 3.44Å; D60-R63 PolarHBondContact O-N 3.24Å
61V94.1Very high93.8Very high0 Ų072.1 Ų72.10%037%0.369CS..Hα-helixtrans-62.1-44.2172.4169.70000110.4L34 L57 D59 R63 I64 Y65 L73 L74 L77L34-V61 HydrophobicContact CD1-CG2 3.88Å; L57-V61 HydrophobicContact CD1-CG2 4.18Å; L57-V61 HydrophobicContact CG-CG2 4.37Å; L57-V61 WeakPolarHBondContact O-CB 3.43Å; L57-V61 VanDerWaalsContact O-CG2 3.24Å; L57-V61 WeakPolarHBondContact O-CG2 3.49Å; L57-V61 PolarHBondContact O-N 3.41Å; D59-V61 PolarHBondContact O-N 3.36Å; V61-R63 PolarHBondContact O-N 3.09Å; V61-I64 PolarHBondContact O-N 2.88Å; V61-I64 VanDerWaalsContact O-N 3.14Å; V61-Y65 HydrophobicContact CG1-CD2 3.79Å; V61-Y65 HydrophobicContact CG1-CE2 4.4Å; V61-Y65 VanDerWaalsContact O-CD2 3.3Å; V61-Y65 WeakPolarHBondContact O-CD2 3.35Å; V61-Y65 PolarHBondContact O-N 2.86Å; V61-L73 HydrophobicContact CG1-CB 4.06Å; V61-L73 HydrophobicContact CG1-CD1 4.25Å; V61-L74 HydrophobicContact CG1-CD2 4.45Å; V61-L77 HydrophobicContact CG2-CD1 4.32Å
62K93.6Very high93.6Very high114 Ų11470.4 Ų70.450%0.49636%0.355SS..Hα-helixtrans-63.9-23.2176.6-80176.2178.2-176.30114.2S58 D59 I64 L74S58-K62 WeakPolarHBondContact O-CB 3.44Å; S58-K62 VanDerWaalsContact O-CG 3.31Å; S58-K62 WeakPolarHBondContact O-CG 3.29Å; S58-K62 PolarHBondContact O-N 2.75Å; D59-K62 PolarHBondContact O-N 3.38Å; K62-I64 VanDerWaalsContact C-N 3.33Å; K62-L74 HydrophobicContact CD-CD1 4.1Å; K62-L74 HydrophobicContact CG-CD1 3.73Å; K62-L74 HydrophobicContact CG-CD2 4.13Å; K62-L74 HydrophobicContact CG-CG 4.41Å
63R93.2Very high93.4Very high102 Ų10266.7 Ų66.739%0.38534%0.339SS..Hα-helixtrans-69.5-33.2175.4-174.2178.466.2176.4-0.5112L20 Y21 D59 D60 V61 Y66L20-R63 PolarHBondContact O-NH2 3.34Å; Y21-R63 VanDerWaalsContact CE1-NH1 3.26Å; Y21-R63 VanDerWaalsContact CE2-NH2 3.28Å; D59-R63 PolarHBondContact O-N 3.1Å; D60-R63 WeakPolarHBondContact O-CB 3.44Å; D60-R63 PolarHBondContact O-N 3.24Å; V61-R63 PolarHBondContact O-N 3.09Å; R63-Y66 PolarHBondContact O-OH 3.37Å
64I91.6Very high93.2Very high36 Ų3664.8 Ų64.819%0.18533%0.333CS..Hα-helixtrans-98.4-37-173.2-56.4-49.1000112.5L20 I25 V27 V61 K62L20-I64 HydrophobicContact CD2-CG1 3.82Å; I25-I64 HydrophobicContact CD1-CD1 3.34Å; I25-I64 HydrophobicContact CD1-CG1 4.08Å; I25-I64 HydrophobicContact CG2-CG2 4.32Å; V27-I64 HydrophobicContact CG2-CG2 4.26Å; V61-I64 PolarHBondContact O-N 2.88Å; V61-I64 VanDerWaalsContact O-N 3.14Å; K62-I64 VanDerWaalsContact C-N 3.33Å
65Y91.2Very high93Very high13 Ų1368.1 Ų68.15%0.05133%0.329CS..  trans-107.7147.4-176-58.1-89.6000111.2V27 I30 Q31 V61 A70 L73V27-Y65 HydrophobicContact CG1-CD1 4.15Å; V27-Y65 HydrophobicContact CG1-CE1 3.27Å; V27-Y65 PolarHBondContact O-OH 3.5Å; I30-Y65 WeakPolarHBondContact CB-OH 3.16Å; I30-Y65 HydrophobicContact CG2-CE2 4.24Å; I30-Y65 WeakPolarHBondContact CG2-OH 3.38Å; Q31-Y65 HydrophobicContact CG-CE1 3.59Å; V61-Y65 HydrophobicContact CG1-CD2 3.79Å; V61-Y65 HydrophobicContact CG1-CE2 4.4Å; V61-Y65 VanDerWaalsContact O-CD2 3.3Å; V61-Y65 WeakPolarHBondContact O-CD2 3.35Å; V61-Y65 PolarHBondContact O-N 2.86Å; Y65-A70 WeakPolarHBondContact O-CB 3.44Å; Y65-L73 HydrophobicContact CD1-CD1 3.74Å; Y65-L73 HydrophobicContact CD2-CD1 3.79Å; Y65-L73 HydrophobicContact CE1-CD1 3.81Å; Y65-L73 HydrophobicContact CE2-CD1 3.91Å; Y65-L73 HydrophobicContact CG-CD1 3.73Å
66Y90.1Very high92.8Very high176 Ų17667.2 Ų67.269%0.6933%0.325SS*.  trans-129.8159.8180-53.1-78.5000112.2R63R63-Y66 PolarHBondContact O-OH 3.37Å
67G92.8Very high92.7Very high53 Ų5362.5 Ų62.555%0.54631%0.307SS..Hα-helixtrans61.7-149.6175.900000114.1Y69 A70 D71G67-Y69 PolarHBondContact O-N 2.9Å; G67-Y69 VanDerWaalsContact O-N 3.15Å; G67-A70 WeakPolarHBondContact O-CB 3.41Å; G67-A70 PolarHBondContact O-N 3.39Å; G67-D71 PolarHBondContact O-N 3.19Å; G67-D71 VanDerWaalsContact O-N 3.17Å
68E91.3Very high92.2Very high169 Ų16969.7 Ų69.779%0.7934%0.338SS*.Hα-helixtrans-59.6-29.8-174.6-59.1-174.8161.300113.1D71 A72E68-D71 PolarHBondContact O-N 2.95Å; E68-A72 WeakPolarHBondContact O-CB 3.44Å; E68-A72 PolarHBondContact O-N 3Å
69Y86.7Confident91.2Very high174 Ų17475.1 Ų75.168%0.68236%0.358SS*.Hα-helixtrans-65.2-44.5175.9-73.2-78.8000111.9G67 D71 A72 L73G67-Y69 PolarHBondContact O-N 2.9Å; G67-Y69 VanDerWaalsContact O-N 3.15Å; Y69-D71 VanDerWaalsContact C-N 3.32Å; Y69-A72 PolarHBondContact O-N 3.1Å; Y69-L73 PolarHBondContact O-N 3.4Å
70A90.7Very high90Very high6 Ų681.5 Ų81.55%0.0538%0.376CS..Hα-helixtrans-61.4-45.6174.300000110.3Y65 G67 A72 L73 L74Y65-A70 WeakPolarHBondContact O-CB 3.44Å; G67-A70 WeakPolarHBondContact O-CB 3.41Å; G67-A70 PolarHBondContact O-N 3.39Å; A70-A72 VanDerWaalsContact C-N 3.3Å; A70-A72 PolarHBondContact O-N 3.32Å; A70-L73 PolarHBondContact O-N 2.86Å; A70-L74 WeakPolarHBondContact O-CB 3.44Å; A70-L74 WeakPolarHBondContact O-CG 3.36Å; A70-L74 PolarHBondContact O-N 3.19Å
71D92.6Very high88.4Confident89 Ų8991.1 Ų91.148%0.47641%0.412SS..Hα-helixtrans-61.2-37.9-179.8-72.1-24.9000112.9G67 E68 Y69 K75G67-D71 PolarHBondContact O-N 3.19Å; G67-D71 VanDerWaalsContact O-N 3.17Å; E68-D71 PolarHBondContact O-N 2.95Å; Y69-D71 VanDerWaalsContact C-N 3.32Å; D71-K75 VanDerWaalsContact O-CG 3.28Å; D71-K75 WeakPolarHBondContact O-CG 3.35Å; D71-K75 PolarHBondContact O-N 3.48Å
72A92.2Very high86.6Confident53 Ų5395 Ų9544%0.43843%0.43SS..Hα-helixtrans-62.9-47174.800000111.8E68 Y69 A70 K75 L76E68-A72 WeakPolarHBondContact O-CB 3.44Å; E68-A72 PolarHBondContact O-N 3Å; Y69-A72 PolarHBondContact O-N 3.1Å; A70-A72 VanDerWaalsContact C-N 3.3Å; A70-A72 PolarHBondContact O-N 3.32Å; A72-K75 WeakPolarHBondContact O-CB 3.43Å; A72-K75 PolarHBondContact O-N 3.01Å; A72-L76 PolarHBondContact O-N 3.14Å
73L93Very high85.1Confident13 Ų1394 Ų947%0.06844%0.436CS..Hα-helixtrans-65.6-40.4177.4-66.7174.7000112Q31 L34 V61 Y65 Y69 A70 K75 L76 L77Q31-L73 HydrophobicContact CG-CD1 4.19Å; Q31-L73 HydrophobicContact CG-CD2 4.49Å; L34-L73 HydrophobicContact CB-CD2 4.37Å; L34-L73 HydrophobicContact CD1-CB 4.48Å; L34-L73 HydrophobicContact CD1-CD1 4.35Å; L34-L73 HydrophobicContact CD1-CD2 4.18Å; V61-L73 HydrophobicContact CG1-CB 4.06Å; V61-L73 HydrophobicContact CG1-CD1 4.25Å; Y65-L73 HydrophobicContact CD1-CD1 3.74Å; Y65-L73 HydrophobicContact CD2-CD1 3.79Å; Y65-L73 HydrophobicContact CE1-CD1 3.81Å; Y65-L73 HydrophobicContact CE2-CD1 3.91Å; Y65-L73 HydrophobicContact CG-CD1 3.73Å; Y69-L73 PolarHBondContact O-N 3.4Å; A70-L73 PolarHBondContact O-N 2.86Å; L73-K75 PolarHBondContact O-N 3Å; L73-L76 HydrophobicContact CD2-CD1 4.07Å; L73-L76 VanDerWaalsContact O-CB 3.27Å; L73-L76 WeakPolarHBondContact O-CB 3.34Å; L73-L76 PolarHBondContact O-N 2.95Å; L73-L77 PolarHBondContact O-N 3.43Å
74L93.5Very high83.5Confident15 Ų1598 Ų988%0.07945%0.451CS..Hα-helixtrans-63.4-31.2176.5-69170.6000112.6S58 V61 K62 A70 L76 L77 K78S58-L74 WeakPolarHBondContact O-CD2 3.38Å; V61-L74 HydrophobicContact CG1-CD2 4.45Å; K62-L74 HydrophobicContact CD-CD1 4.1Å; K62-L74 HydrophobicContact CG-CD1 3.73Å; K62-L74 HydrophobicContact CG-CD2 4.13Å; K62-L74 HydrophobicContact CG-CG 4.41Å; A70-L74 WeakPolarHBondContact O-CB 3.44Å; A70-L74 WeakPolarHBondContact O-CG 3.36Å; A70-L74 PolarHBondContact O-N 3.19Å; L74-L76 PolarHBondContact O-N 2.9Å; L74-L77 HydrophobicContact CD2-CD1 4.33Å; L74-L77 PolarHBondContact O-N 3.3Å; L74-K78 WeakPolarHBondContact O-CG 3.29Å; L74-K78 PolarHBondContact O-N 3.3Å
75K92.5Very high82Confident133 Ų133105 Ų10558%0.57848%0.476SS*.Hα-helixtrans-66.1-26.3172.6-75.1167-176.4170.70112.6D71 A72 L73D71-K75 VanDerWaalsContact O-CG 3.28Å; D71-K75 WeakPolarHBondContact O-CG 3.35Å; D71-K75 PolarHBondContact O-N 3.48Å; A72-K75 WeakPolarHBondContact O-CB 3.43Å; A72-K75 PolarHBondContact O-N 3.01Å; L73-K75 PolarHBondContact O-N 3Å
76L92.3Very high80.9Confident43 Ų43108.1 Ų108.123%0.22549%0.493CS..Hα-helixtrans-72.7-35.4175-56.9174.5000112.1L35 L42 A72 L73 L74 K78L35-L76 HydrophobicContact CD2-CD1 3.62Å; L35-L76 HydrophobicContact CG-CD1 4.11Å; L42-L76 HydrophobicContact CD2-CB 4.09Å; A72-L76 PolarHBondContact O-N 3.14Å; L73-L76 HydrophobicContact CD2-CD1 4.07Å; L73-L76 VanDerWaalsContact O-CB 3.27Å; L73-L76 WeakPolarHBondContact O-CB 3.34Å; L73-L76 PolarHBondContact O-N 2.95Å; L74-L76 PolarHBondContact O-N 2.9Å; L76-K78 VanDerWaalsContact C-N 3.31Å
77L92Very high79.9Confident11 Ų11103.3 Ų103.36%0.05849%0.485CS..Hα-helixtrans-72.3-27.1177.5-67.4170.6000112.3L34 L42 D46 L57 V61 L73 L74 K79L34-L77 HydrophobicContact CD2-CD2 4.45Å; L42-L77 HydrophobicContact CD1-CD2 3.99Å; L42-L77 HydrophobicContact CD2-CD2 3.78Å; L42-L77 HydrophobicContact CD2-CG 4.41Å; L42-L77 HydrophobicContact CG-CD2 3.8Å; D46-L77 HydrophobicContact CB-CD2 4.41Å; L57-L77 HydrophobicContact CD2-CD2 3.66Å; L57-L77 HydrophobicContact CG-CD1 4.25Å; L57-L77 HydrophobicContact CG-CD2 4.05Å; V61-L77 HydrophobicContact CG2-CD1 4.32Å; L73-L77 PolarHBondContact O-N 3.43Å; L74-L77 HydrophobicContact CD2-CD1 4.33Å; L74-L77 PolarHBondContact O-N 3.3Å; L77-K79 PolarHBondContact O-N 3.44Å
78K87.3Confident79Confident150 Ų150104.1 Ų104.165%0.65248%0.479SS*.SBendtrans-71.1119174.3-70.8175.7-177.8178.80109.9L74 L76 R80L74-K78 WeakPolarHBondContact O-CG 3.29Å; L74-K78 PolarHBondContact O-N 3.3Å; L76-K78 VanDerWaalsContact C-N 3.31Å; K78-R80 PolarHBondContact O-N 3.17Å
79K74.7Confident78.3Confident144 Ų144102.5 Ų102.563%0.62647%0.47SS*.  trans-57.8112.9171.2-175.2176.9-177.1176.30109.3L77 R81L77-K79 PolarHBondContact O-N 3.44Å; K79-R81 PolarHBondContact O-N 3.08Å
80R68.5Low77.9Confident212 Ų21298.4 Ų98.480%0.846%0.46SS*.  trans-64.3109.4168.9-69-172.2-179.4172.11.6107.9K78 H82K78-R80 PolarHBondContact O-N 3.17Å; R80-H82 VanDerWaalsContact C-N 3.32Å; R80-H82 PolarHBondContact O-N 3.04Å; R80-H82 VanDerWaalsContact O-N 3.08Å
81R61.7Low77.5Confident207 Ų207101.5 Ų101.578%0.78148%0.478SS*.  trans-71.997.3158.5-72.4-172.1164.2111.4-4.2105.8K79 P83 I86K79-R81 PolarHBondContact O-N 3.08Å; R81-P83 WeakPolarHBondContact O-CD 3.16Å; R81-I86 HydrophobicContact CB-CD1 4.02Å
82H58Low76.9Confident82 Ų82102.1 Ų102.138%0.3848%0.48SS..  trans-61.3120.8177.3-172.4-65.7000108.3R80 R84 Y85R80-H82 VanDerWaalsContact C-N 3.32Å; R80-H82 PolarHBondContact O-N 3.04Å; R80-H82 VanDerWaalsContact O-N 3.08Å; H82-R84 VanDerWaalsContact CE1-CZ 3.48Å; H82-R84 PolarHBondContact CE1-NE 3.21Å; H82-R84 WeakPolarHBondContact ND1-CB 3.37Å; H82-R84 PolarHBondContact ND1-N 3.1Å; H82-R84 PolarHBondContact NE2-NH2 3.04Å; H82-R84 PolarHBondContact O-N 2.76Å; H82-R84 VanDerWaalsContact O-N 3.09Å; H82-Y85 HydrophobicContact CB-CD2 4.2Å; H82-Y85 PolarHBondContact O-N 3.03Å
83P60.6Low76.3Confident94 Ų94101.9 Ų101.961%0.6147%0.474SS*.Hα-helixtrans-54.8-35.5-171.5-2733.1000113.7R81 Y85 I86 S87R81-P83 WeakPolarHBondContact O-CD 3.16Å; P83-Y85 PolarHBondContact O-N 3.17Å; P83-I86 PolarHBondContact O-N 3.12Å; P83-S87 PolarHBondContact O-N 3.25Å; P83-S87 VanDerWaalsContact O-N 3.12Å
84R59.5Low75.7Confident186 Ų186104 Ų10470%0.70249%0.489SS*.Hα-helixtrans-54-35177.6-71.9-169.1-66.9-122.11.9113.8H82 T88H82-R84 VanDerWaalsContact CE1-CZ 3.48Å; H82-R84 PolarHBondContact CE1-NE 3.21Å; H82-R84 WeakPolarHBondContact ND1-CB 3.37Å; H82-R84 PolarHBondContact ND1-N 3.1Å; H82-R84 PolarHBondContact NE2-NH2 3.04Å; H82-R84 PolarHBondContact O-N 2.76Å; H82-R84 VanDerWaalsContact O-N 3.09Å; R84-T88 WeakPolarHBondContact O-CG2 3.41Å; R84-T88 PolarHBondContact O-N 3.06Å; R84-T88 VanDerWaalsContact O-N 3.1Å; R84-T88 PolarHBondContact O-OG1 3.09Å; R84-T88 VanDerWaalsContact O-OG1 3.06Å
85Y61.6Low75.3Confident182 Ų182107.9 Ų107.971%0.71451%0.509SS*.Hα-helixtrans-73-32.8178.1-81.3-83.2000113.2H82 P83 T88 F89H82-Y85 HydrophobicContact CB-CD2 4.2Å; H82-Y85 PolarHBondContact O-N 3.03Å; P83-Y85 PolarHBondContact O-N 3.17Å; Y85-T88 WeakPolarHBondContact CA-OG1 3.38Å; Y85-T88 PolarHBondContact O-OG1 2.94Å; Y85-T88 VanDerWaalsContact O-OG1 3.05Å; Y85-F89 WeakPolarHBondContact O-CB 3.33Å; Y85-F89 PolarHBondContact O-N 3.47Å
86I66.5Low74.6Confident78 Ų78105.6 Ų105.640%0.451%0.507SS..Hα-helixtrans-70.5-42.8178-62.7165.1000109.6R81 P83 F89 N90R81-I86 HydrophobicContact CB-CD1 4.02Å; P83-I86 PolarHBondContact O-N 3.12Å; I86-F89 PolarHBondContact O-N 3.46Å; I86-N90 WeakPolarHBondContact O-CB 3.46Å; I86-N90 PolarHBondContact O-N 2.94Å; I86-N90 PolarHBondContact O-ND2 2.93Å; I86-N90 PolarHBondContact O-OD1 3.39Å
87S69.8Low73.9Confident75 Ų75108.3 Ų108.352%0.52453%0.529SS..Hα-helixtrans-60.8-50.3175.6-170.30000111.2P83 F89 N90 T91P83-S87 PolarHBondContact O-N 3.25Å; P83-S87 VanDerWaalsContact O-N 3.12Å; S87-F89 PolarHBondContact O-N 3.46Å; S87-N90 PolarHBondContact O-N 3.05Å; S87-T91 WeakPolarHBondContact O-CB 3.18Å; S87-T91 PolarHBondContact O-N 3.46Å; S87-T91 PolarHBondContact O-OG1 2.95Å
88T74.1Confident72.9Confident71 Ų71118.2 Ų118.244%0.43657%0.566SS.*Hα-helixtrans-63.8-41-179.852.40000112.1R84 Y85 T91 I92R84-T88 WeakPolarHBondContact O-CG2 3.41Å; R84-T88 PolarHBondContact O-N 3.06Å; R84-T88 VanDerWaalsContact O-N 3.1Å; R84-T88 PolarHBondContact O-OG1 3.09Å; R84-T88 VanDerWaalsContact O-OG1 3.06Å; Y85-T88 WeakPolarHBondContact CA-OG1 3.38Å; Y85-T88 PolarHBondContact O-OG1 2.94Å; Y85-T88 VanDerWaalsContact O-OG1 3.05Å; T88-T91 PolarHBondContact O-N 3.07Å; T88-I92 WeakPolarHBondContact O-CB 3.47Å; T88-I92 WeakPolarHBondContact O-CD1 3.33Å; T88-I92 WeakPolarHBondContact O-CG1 3.44Å; T88-I92 PolarHBondContact O-N 3.22Å
89F76.5Confident71.6Confident134 Ų134120.3 Ų120.359%0.58858%0.584SS**Hα-helixtrans-62.3-48.7177.3-176.6-96.2000111.2Y85 I86 S87 T91 I92 T93Y85-F89 WeakPolarHBondContact O-CB 3.33Å; Y85-F89 PolarHBondContact O-N 3.47Å; I86-F89 PolarHBondContact O-N 3.46Å; S87-F89 PolarHBondContact O-N 3.46Å; F89-T91 VanDerWaalsContact C-N 3.33Å; F89-T91 PolarHBondContact O-N 3.27Å; F89-I92 PolarHBondContact O-N 2.93Å; F89-T93 HydrophobicContact CD1-CG2 4.11Å; F89-T93 HydrophobicContact CE1-CG2 3.72Å; F89-T93 HydrophobicContact CE2-CG2 4.29Å; F89-T93 HydrophobicContact CZ-CG2 3.82Å; F89-T93 WeakPolarHBondContact O-CG2 3.31Å; F89-T93 PolarHBondContact O-N 3.01Å; F89-T93 PolarHBondContact O-OG1 3.03Å
90N78.5Confident71.4Confident89 Ų89119.2 Ų119.248%0.47658%0.582SS.*Hα-helixtrans-63-38.6178.9-68.9-7.6000112.2I86 S87 T93 S94I86-N90 WeakPolarHBondContact O-CB 3.46Å; I86-N90 PolarHBondContact O-N 2.94Å; I86-N90 PolarHBondContact O-ND2 2.93Å; I86-N90 PolarHBondContact O-OD1 3.39Å; S87-N90 PolarHBondContact O-N 3.05Å; N90-T93 WeakPolarHBondContact CA-OG1 3.41Å; N90-T93 PolarHBondContact O-OG1 3.01Å; N90-S94 WeakPolarHBondContact O-CB 3.44Å; N90-S94 PolarHBondContact O-N 2.72Å; N90-S94 PolarHBondContact O-OG 3.41Å
91T81.2Confident71.6Confident71 Ų71114.3 Ų114.344%0.43657%0.571SS.*Hα-helixtrans-62.5-48.6173.9-58.90000110.8S87 T88 F89 T93 S94 I95S87-T91 WeakPolarHBondContact O-CB 3.18Å; S87-T91 PolarHBondContact O-N 3.46Å; S87-T91 PolarHBondContact O-OG1 2.95Å; T88-T91 PolarHBondContact O-N 3.07Å; F89-T91 VanDerWaalsContact C-N 3.33Å; F89-T91 PolarHBondContact O-N 3.27Å; T91-T93 PolarHBondContact O-N 3.49Å; T91-S94 PolarHBondContact O-N 3.01Å; T91-S94 PolarHBondContact O-OG 3.22Å; T91-I95 HydrophobicContact CG2-CD1 3.9Å; T91-I95 VanDerWaalsContact O-CG1 3.31Å; T91-I95 WeakPolarHBondContact O-CG1 3.21Å; T91-I95 PolarHBondContact O-N 2.9Å
92I80.7Confident72.1Confident101 Ų101109.1 Ų109.152%0.51856%0.559SS.*Hα-helixtrans-60.5-48.2179-68.9163.9000110.8T88 F89 S94 I95 T96T88-I92 WeakPolarHBondContact O-CB 3.47Å; T88-I92 WeakPolarHBondContact O-CD1 3.33Å; T88-I92 WeakPolarHBondContact O-CG1 3.44Å; T88-I92 PolarHBondContact O-N 3.22Å; F89-I92 PolarHBondContact O-N 2.93Å; I92-S94 VanDerWaalsContact C-N 3.29Å; I92-S94 PolarHBondContact O-N 3.41Å; I92-I95 PolarHBondContact O-N 3.42Å; I92-I95 VanDerWaalsContact O-N 3.13Å; I92-T96 HydrophobicContact CG2-CG2 4.42Å; I92-T96 WeakPolarHBondContact O-CG2 3.47Å; I92-T96 PolarHBondContact O-N 3.35Å; I92-T96 PolarHBondContact O-OG1 3.09Å
93T79.8Confident72.9Confident48 Ų48110.7 Ų110.729%0.29457%0.569SS.*Hα-helixtrans-62.3-38.3179.755.30000111.8F89 N90 T91 I95 T96 S97F89-T93 HydrophobicContact CD1-CG2 4.11Å; F89-T93 HydrophobicContact CE1-CG2 3.72Å; F89-T93 HydrophobicContact CE2-CG2 4.29Å; F89-T93 HydrophobicContact CZ-CG2 3.82Å; F89-T93 WeakPolarHBondContact O-CG2 3.31Å; F89-T93 PolarHBondContact O-N 3.01Å; F89-T93 PolarHBondContact O-OG1 3.03Å; N90-T93 WeakPolarHBondContact CA-OG1 3.41Å; N90-T93 PolarHBondContact O-OG1 3.01Å; T91-T93 PolarHBondContact O-N 3.49Å; T93-I95 VanDerWaalsContact C-N 3.3Å; T93-I95 PolarHBondContact O-N 3.13Å; T93-T96 WeakPolarHBondContact CA-OG1 3.49Å; T93-T96 PolarHBondContact O-N 3.43Å; T93-T96 PolarHBondContact O-OG1 3.07Å; T93-S97 WeakPolarHBondContact O-CB 3.43Å; T93-S97 PolarHBondContact O-N 3.26Å; T93-S97 VanDerWaalsContact O-N 3.09Å; T93-S97 PolarHBondContact O-OG 3.22Å; T93-S97 VanDerWaalsContact O-OG 3.07Å
94S81.3Confident73.7Confident57 Ų57111.8 Ų111.840%0.39957%0.567SS.*Hα-helixtrans-67.5-28.6177.372.20000113.8N90 T91 I92 R98N90-S94 WeakPolarHBondContact O-CB 3.44Å; N90-S94 PolarHBondContact O-N 2.72Å; N90-S94 PolarHBondContact O-OG 3.41Å; T91-S94 PolarHBondContact O-N 3.01Å; T91-S94 PolarHBondContact O-OG 3.22Å; I92-S94 VanDerWaalsContact C-N 3.29Å; I92-S94 PolarHBondContact O-N 3.41Å; S94-R98 WeakPolarHBondContact O-CG 3.39Å
95I84.3Confident74.7Confident97 Ų97106.8 Ų106.850%0.49756%0.558SS.*Hα-helixtrans-74-48.2174.6-68163.9000109.2T91 I92 T93 S97 R98T91-I95 HydrophobicContact CG2-CD1 3.9Å; T91-I95 VanDerWaalsContact O-CG1 3.31Å; T91-I95 WeakPolarHBondContact O-CG1 3.21Å; T91-I95 PolarHBondContact O-N 2.9Å; I92-I95 PolarHBondContact O-N 3.42Å; I92-I95 VanDerWaalsContact O-N 3.13Å; T93-I95 VanDerWaalsContact C-N 3.3Å; T93-I95 PolarHBondContact O-N 3.13Å; I95-S97 VanDerWaalsContact C-N 3.25Å; I95-S97 PolarHBondContact O-N 3.15Å; I95-R98 PolarHBondContact O-N 3.25Å; I95-R98 VanDerWaalsContact O-N 3.15Å
96T78.4Confident75.6Confident86 Ų86101.4 Ų101.453%0.52855%0.547SS..Hα-helixtrans-70.5-16.5-177.156.30000114.7I92 T93I92-T96 HydrophobicContact CG2-CG2 4.42Å; I92-T96 WeakPolarHBondContact O-CG2 3.47Å; I92-T96 PolarHBondContact O-N 3.35Å; I92-T96 PolarHBondContact O-OG1 3.09Å; T93-T96 WeakPolarHBondContact CA-OG1 3.49Å; T93-T96 PolarHBondContact O-N 3.43Å; T93-T96 PolarHBondContact O-OG1 3.07Å
97S76.7Confident76.3Confident99 Ų99103.2 Ų103.269%0.69256%0.558SS**THydrogen-bonded Turntrans-92.91.5175.1-59.60000113.5T93 I95T93-S97 WeakPolarHBondContact O-CB 3.43Å; T93-S97 PolarHBondContact O-N 3.26Å; T93-S97 VanDerWaalsContact O-N 3.09Å; T93-S97 PolarHBondContact O-OG 3.22Å; T93-S97 VanDerWaalsContact O-OG 3.07Å; I95-S97 VanDerWaalsContact C-N 3.25Å; I95-S97 PolarHBondContact O-N 3.15Å
98R70.2Confident76.8Confident220 Ų220105.6 Ų105.683%0.8356%0.561SS**  trans-101.3-10.9176.1-76.4-179.8177.9-166.10.2113.6S94 I95S94-R98 WeakPolarHBondContact O-CG 3.39Å; I95-R98 PolarHBondContact O-N 3.25Å; I95-R98 VanDerWaalsContact O-N 3.15Å
99D60.2Low77.1Confident194 Ų194108.7 Ų108.7100%1.03757%0.572SS**  trans-99.90171.6-60.9-32.7000110.1

Retrieved 99 of 99 residues in 83.5 ms (Link to these results)

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