A0A5K4FBX7_SCHMA Loading...

Cornifelin

AlphaFold DB , UniProt , Accession A0A5K4FBX7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 69 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
1M80Confident80.4Confident53 Ų5367.1 Ų67.126%0.26138%0.38SS..  0-73.80-53.1-136.7-144.900110.2R3 D4 Y5 L22 V51 R55M1-R3 PolarHBondContact O-N 2.99Å; M1-D4 VanDerWaalsContact CA-OD2 3.32Å; M1-D4 WeakPolarHBondContact CA-OD2 3.42Å; M1-D4 PolarHBondContact N-OD2 3.02Å; M1-D4 WeakPolarHBondContact O-CA 3.4Å; M1-D4 WeakPolarHBondContact O-CB 3.33Å; M1-D4 PolarHBondContact O-N 3.45Å; M1-Y5 PolarHBondContact O-N 3.11Å; M1-L22 HydrophobicContact CB-CD2 3.88Å; M1-V51 HydrophobicContact CE-CG1 3.28Å; M1-V51 WeakPolarHBondContact CE-O 3.24Å; M1-V51 HydrophobicContact SD-CG1 4.44Å; M1-R55 HydrophobicContact CE-CB 3.38Å; M1-R55 HydrophobicContact CE-CG 3.82Å; M1-R55 HydrophobicContact SD-CB 3.93Å; M1-R55 HydrophobicContact SD-CG 4.36Å
2Y82.9Confident80.2Confident31 Ų3166.1 Ų66.112%0.12238%0.378CS..THydrogen-bonded Turntrans-55-48.3178.7-64.6-74.5000113.5D4 Y5 G6 E7 A11 P12 S18 E19 L22Y2-D4 VanDerWaalsContact C-N 3.25Å; Y2-D4 PolarHBondContact O-N 3.1Å; Y2-Y5 CarbonylContact O-C 3.47Å; Y2-Y5 WeakPolarHBondContact O-CA 3.4Å; Y2-Y5 WeakPolarHBondContact O-CB 3.4Å; Y2-Y5 PolarHBondContact O-N 3Å; Y2-G6 PolarHBondContact O-N 2.86Å; Y2-G6 VanDerWaalsContact O-N 3.07Å; Y2-E7 CarbonylContact C-O 3.46Å; Y2-E7 HydrophobicContact CD1-CB 4.31Å; Y2-E7 PolarHBondContact O-N 3.07Å; Y2-A11 HydrophobicContact CD1-CB 3.99Å; Y2-A11 HydrophobicContact CE1-CB 4.19Å; Y2-P12 HydrophobicContact CD2-CG 4.48Å; Y2-P12 HydrophobicContact CE2-CB 4.5Å; Y2-P12 HydrophobicContact CE2-CG 4.13Å; Y2-S18 WeakPolarHBondContact OH-CB 3.23Å; Y2-S18 PolarHBondContact OH-O 2.91Å; Y2-S18 PolarHBondContact OH-OG 2.84Å; Y2-E19 WeakPolarHBondContact OH-CA 3.14Å; Y2-E19 PolarHBondContact OH-N 3.09Å; Y2-E19 VanDerWaalsContact OH-N 3.1Å; Y2-L22 HydrophobicContact CD1-CD1 3.98Å; Y2-L22 HydrophobicContact CD1-CD2 4.13Å; Y2-L22 HydrophobicContact CE1-CB 3.99Å; Y2-L22 HydrophobicContact CE1-CD1 4Å; Y2-L22 HydrophobicContact CE1-CD2 3.87Å; Y2-L22 HydrophobicContact CE1-CG 4.17Å
3R82.6Confident80.1Confident212 Ų21272.4 Ų72.480%0.841%0.409SS*.G310 helixtrans-59.3-36175.5-169.9177.270.5176.42113.1M1 Y5 G6M1-R3 PolarHBondContact O-N 2.99Å; R3-Y5 PolarHBondContact O-N 3.32Å; R3-G6 PolarHBondContact O-N 3.27Å; R3-G6 VanDerWaalsContact O-N 3.11Å
4D81.2Confident80.3Confident58 Ų5876.9 Ų76.931%0.3143%0.429SS..G310 helixtrans-72.1-24.6178.8-46-48.7000111.1M1 Y2 G6 R55 L68M1-D4 VanDerWaalsContact CA-OD2 3.32Å; M1-D4 WeakPolarHBondContact CA-OD2 3.42Å; M1-D4 PolarHBondContact N-OD2 3.02Å; M1-D4 WeakPolarHBondContact O-CA 3.4Å; M1-D4 WeakPolarHBondContact O-CB 3.33Å; M1-D4 PolarHBondContact O-N 3.45Å; Y2-D4 VanDerWaalsContact C-N 3.25Å; Y2-D4 PolarHBondContact O-N 3.1Å; D4-G6 VanDerWaalsContact C-N 3.35Å; D4-R55 IonicContact OD2-CZ 2.68Å; D4-R55 IonicContact OD2-NH1 2.87Å; D4-R55 PolarHBondContact OD2-NH1 2.99Å; D4-R55 IonicContact OD2-NH2 3.61Å; D4-L68 HydrophobicContact CB-CD1 3.81Å
5Y81.3Confident80.3Confident4 Ų475.5 Ų75.52%0.01642%0.423CS..G310 helixtrans-84-7170.7-114.5-98.9000114M1 Y2 R3 E7 L22 Q25 H26 M58 L68M1-Y5 PolarHBondContact O-N 3.11Å; Y2-Y5 CarbonylContact O-C 3.47Å; Y2-Y5 WeakPolarHBondContact O-CA 3.4Å; Y2-Y5 WeakPolarHBondContact O-CB 3.4Å; Y2-Y5 PolarHBondContact O-N 3Å; R3-Y5 PolarHBondContact O-N 3.32Å; Y5-E7 VanDerWaalsContact C-N 3.33Å; Y5-L22 HydrophobicContact CD1-CD1 4.14Å; Y5-L22 HydrophobicContact CD2-CD1 4.19Å; Y5-L22 HydrophobicContact CG-CD1 3.81Å; Y5-Q25 HydrophobicContact CE1-CG 4.24Å; Y5-H26 HydrophobicContact CE2-CB 4.32Å; Y5-H26 AromaticContact CE2-ND1 3.48Å; Y5-H26 WeakPolarHBondContact CE2-ND1 3.22Å; Y5-H26 AromaticContact CZ-ND1 3.63Å; Y5-H26 VanDerWaalsContact OH-CA 3.23Å; Y5-H26 WeakPolarHBondContact OH-CA 3.49Å; Y5-H26 PolarHBondContact OH-ND1 3.14Å; Y5-M58 HydrophobicContact CD2-CE 3.44Å; Y5-M58 VanDerWaalsContact CD2-CE 3.44Å; Y5-M58 HydrophobicContact CD2-SD 3.51Å; Y5-M58 VanDerWaalsContact CD2-SD 3.51Å; Y5-M58 HydrophobicContact CE2-CE 3.29Å; Y5-M58 HydrophobicContact CE2-SD 3.45Å; Y5-M58 WeakPolarHBondContact CE2-SD 3.32Å; Y5-L68 HydrophobicContact CD2-CB 4.17Å; Y5-L68 HydrophobicContact CD2-CD1 3.98Å; Y5-L68 HydrophobicContact CE2-CB 3.84Å; Y5-L68 HydrophobicContact CE2-CD1 4.09Å; Y5-L68 HydrophobicContact CE2-CD2 4.31Å; Y5-L68 HydrophobicContact CE2-CG 4.3Å; Y5-L68 PolarHBondContact OH-O 2.05Å
6G81Confident80Confident63 Ų6378.1 Ų78.165%0.64944%0.444SS*.THydrogen-bonded Turntrans7812.4-172.400000114.5Y2 R3 D4Y2-G6 PolarHBondContact O-N 2.86Å; Y2-G6 VanDerWaalsContact O-N 3.07Å; R3-G6 PolarHBondContact O-N 3.27Å; R3-G6 VanDerWaalsContact O-N 3.11Å; D4-G6 VanDerWaalsContact C-N 3.35Å
7E80.9Confident80.2Confident66 Ų6675 Ų7531%0.30843%0.431SS..  trans-92.2154.5178-62.2-157156.500112.5Y2 Y5 Q25Y2-E7 CarbonylContact C-O 3.46Å; Y2-E7 HydrophobicContact CD1-CB 4.31Å; Y2-E7 PolarHBondContact O-N 3.07Å; Y5-E7 VanDerWaalsContact C-N 3.33Å; E7-Q25 PolarHBondContact OE1-NE2 3.09Å; E7-Q25 VanDerWaalsContact OE1-NE2 3.14Å; E7-Q25 PolarHBondContact OE1-OE1 3.33Å
8C79.1Confident80.4Confident82 Ų8271.1 Ų71.155%0.55441%0.409SS*.  trans-60.8138.4178.5-171.30000110.7C10 A11C8-C10 PolarHBondContact O-N 3.21Å; C8-C10 VanDerWaalsContact O-N 3.1Å; C8-A11 VanDerWaalsContact O-CB 3.24Å; C8-A11 WeakPolarHBondContact O-CB 3.42Å; C8-A11 PolarHBondContact O-N 2.92Å
9C77.1Confident80.8Confident102 Ų10270.4 Ų70.469%0.68940%0.401SS*.THydrogen-bonded Turntrans-61.9-18174.858.40000113.3P12C9-P12 WeakPolarHBondContact O-CD 3.44Å; C9-P12 WeakPolarHBondContact O-CG 3.32Å
10C78.4Confident81Confident54 Ų5468.8 Ų68.837%0.36539%0.389SS..THydrogen-bonded Turntrans-85.7-3175.6-57.30000113.8C8 P12 L13 I14C8-C10 PolarHBondContact O-N 3.21Å; C8-C10 VanDerWaalsContact O-N 3.1Å; C10-P12 VanDerWaalsContact C-CD 3.48Å; C10-P12 VanDerWaalsContact C-N 3.3Å; C10-L13 HydrophobicContact CB-CD1 4.36Å; C10-L13 WeakPolarHBondContact O-CB 3.45Å; C10-L13 PolarHBondContact O-N 3.36Å; C10-I14 PolarHBondContact O-N 3.41Å
11A80.5Confident81.4Confident13 Ų1368.4 Ų68.411%0.10739%0.388CS..Hα-helixtrans-47.5-44.5173.700000113.7Y2 C8 L13 I14 V15Y2-A11 HydrophobicContact CD1-CB 3.99Å; Y2-A11 HydrophobicContact CE1-CB 4.19Å; C8-A11 VanDerWaalsContact O-CB 3.24Å; C8-A11 WeakPolarHBondContact O-CB 3.42Å; C8-A11 PolarHBondContact O-N 2.92Å; A11-L13 PolarHBondContact O-N 2.75Å; A11-I14 PolarHBondContact O-N 2.68Å; A11-I14 VanDerWaalsContact O-N 3.16Å; A11-V15 PolarHBondContact O-N 2.99Å
12P77.1Confident81.8Confident55 Ų5566 Ų6636%0.35738%0.377SS..Hα-helixtrans-61.9-20.8175.120.8-34.2000116.2Y2 C9 C10 S18Y2-P12 HydrophobicContact CD2-CG 4.48Å; Y2-P12 HydrophobicContact CE2-CB 4.5Å; Y2-P12 HydrophobicContact CE2-CG 4.13Å; C9-P12 WeakPolarHBondContact O-CD 3.44Å; C9-P12 WeakPolarHBondContact O-CG 3.32Å; C10-P12 VanDerWaalsContact C-CD 3.48Å; C10-P12 VanDerWaalsContact C-N 3.3Å; P12-S18 VanDerWaalsContact CA-OG 3.22Å; P12-S18 WeakPolarHBondContact CA-OG 3.48Å; P12-S18 VanDerWaalsContact CB-OG 3.3Å; P12-S18 WeakPolarHBondContact CB-OG 3.32Å
13L79.3Confident82.1Confident148 Ų14864.5 Ų64.578%0.77537%0.371SS*.Hα-helixtrans-83.1-26.9177.1-69.4163.6000112.4C10 A11C10-L13 HydrophobicContact CB-CD1 4.36Å; C10-L13 WeakPolarHBondContact O-CB 3.45Å; C10-L13 PolarHBondContact O-N 3.36Å; A11-L13 PolarHBondContact O-N 2.75Å
14I82.7Confident82.4Confident135 Ų13556.2 Ų56.269%0.69234%0.344SS*.Hα-helixtrans-96.6-41.1-174.2-57.7169.5000110.4C10 A11 P16C10-I14 PolarHBondContact O-N 3.41Å; A11-I14 PolarHBondContact O-N 2.68Å; A11-I14 VanDerWaalsContact O-N 3.16Å; I14-P16 WeakPolarHBondContact O-CD 3.48Å
15V80.3Confident82.7Confident57 Ų5755.6 Ų55.635%0.34534%0.339SS..SBendtrans-100.8110.7-174.3-174.40000109.3A11 A17 S18 V21A11-V15 PolarHBondContact O-N 2.99Å; V15-A17 PolarHBondContact O-N 3.36Å; V15-S18 WeakPolarHBondContact O-CB 3.34Å; V15-S18 PolarHBondContact O-N 3.12Å; V15-S18 VanDerWaalsContact O-N 3.13Å; V15-V21 HydrophobicContact CG1-CG2 3.91Å
16P76.6Confident83.1Confident116 Ų11655.4 Ų55.475%0.75334%0.339SS*.THydrogen-bonded Turntrans-60.5135.717225.4-31.9000109.3I14 S18I14-P16 WeakPolarHBondContact O-CD 3.48Å; P16-S18 VanDerWaalsContact C-N 3.29Å; P16-S18 PolarHBondContact O-N 3.46Å
17A82.1Confident83.4Confident26 Ų2654.9 Ų54.922%0.21532%0.317CS..THydrogen-bonded Turntrans57.537.9-173.800000113.9V15 E19 F20 V21 W43V15-A17 PolarHBondContact O-N 3.36Å; A17-E19 PolarHBondContact O-N 3.13Å; A17-F20 HydrophobicContact CB-CB 4.25Å; A17-F20 WeakPolarHBondContact O-CB 3.43Å; A17-F20 PolarHBondContact O-N 2.93Å; A17-V21 PolarHBondContact O-N 3.31Å; A17-V21 VanDerWaalsContact O-N 3.14Å; A17-W43 HydrophobicContact CB-CD2 4.34Å; A17-W43 HydrophobicContact CB-CE3 4.36Å; A17-W43 HydrophobicContact CB-CH2 3.53Å; A17-W43 HydrophobicContact CB-CZ2 3.47Å; A17-W43 VanDerWaalsContact CB-CZ2 3.47Å; A17-W43 HydrophobicContact CB-CZ3 3.98Å
18S85.1Confident83.7Confident5 Ų555.2 Ų55.24%0.03533%0.331CS..Hα-helixtrans-47.8-34.1176.661.40000114.2Y2 P12 V15 P16 F20 V21 L22Y2-S18 WeakPolarHBondContact OH-CB 3.23Å; Y2-S18 PolarHBondContact OH-O 2.91Å; Y2-S18 PolarHBondContact OH-OG 2.84Å; P12-S18 VanDerWaalsContact CA-OG 3.22Å; P12-S18 WeakPolarHBondContact CA-OG 3.48Å; P12-S18 VanDerWaalsContact CB-OG 3.3Å; P12-S18 WeakPolarHBondContact CB-OG 3.32Å; V15-S18 WeakPolarHBondContact O-CB 3.34Å; V15-S18 PolarHBondContact O-N 3.12Å; V15-S18 VanDerWaalsContact O-N 3.13Å; P16-S18 VanDerWaalsContact C-N 3.29Å; P16-S18 PolarHBondContact O-N 3.46Å; S18-F20 VanDerWaalsContact C-N 3.34Å; S18-F20 PolarHBondContact O-N 3.16Å; S18-V21 PolarHBondContact O-N 3.45Å; S18-L22 WeakPolarHBondContact O-CB 3.48Å; S18-L22 PolarHBondContact O-N 2.85Å
19E86.4Confident84.1Confident57 Ų5755.8 Ų55.827%0.26632%0.322SS..Hα-helixtrans-68.9-39.2-177.7-51.692.6161.300111Y2 A17 L22 G23 W43 Y50 V51Y2-E19 WeakPolarHBondContact OH-CA 3.14Å; Y2-E19 PolarHBondContact OH-N 3.09Å; Y2-E19 VanDerWaalsContact OH-N 3.1Å; A17-E19 PolarHBondContact O-N 3.13Å; E19-L22 PolarHBondContact O-N 2.92Å; E19-G23 PolarHBondContact O-N 3.32Å; E19-W43 PolarHBondContact OE2-NE1 3.39Å; E19-Y50 HydrophobicContact CB-CD1 4.47Å; E19-Y50 WeakPolarHBondContact O-CE1 3.49Å; E19-V51 HydrophobicContact CB-CG2 3.73Å; E19-V51 HydrophobicContact CG-CG2 3.57Å
20F86.3Confident84.5Confident38 Ų3852.9 Ų52.917%0.16730%0.298CS..Hα-helixtrans-64.2-43.4173.2164.2-98.4000111.2A17 S18 L22 G23 T24 I36 D39 C40 W43A17-F20 HydrophobicContact CB-CB 4.25Å; A17-F20 WeakPolarHBondContact O-CB 3.43Å; A17-F20 PolarHBondContact O-N 2.93Å; S18-F20 VanDerWaalsContact C-N 3.34Å; S18-F20 PolarHBondContact O-N 3.16Å; F20-L22 VanDerWaalsContact C-N 3.32Å; F20-L22 PolarHBondContact O-N 2.98Å; F20-G23 PolarHBondContact O-N 2.98Å; F20-T24 HydrophobicContact CD2-CG2 4.26Å; F20-T24 HydrophobicContact CE1-CG2 4.28Å; F20-T24 HydrophobicContact CE2-CG2 3.81Å; F20-T24 HydrophobicContact CZ-CG2 3.86Å; F20-T24 WeakPolarHBondContact O-CG2 3.36Å; F20-T24 PolarHBondContact O-N 3.35Å; F20-T24 PolarHBondContact O-OG1 2.86Å; F20-I36 HydrophobicContact CE2-CG2 4.12Å; F20-I36 WeakPolarHBondContact CE2-O 3.45Å; F20-I36 HydrophobicContact CZ-CG2 3.51Å; F20-D39 HydrophobicContact CD2-CB 3.99Å; F20-D39 HydrophobicContact CE2-CB 3.87Å; F20-C40 HydrophobicContact CD2-CB 4.43Å; F20-C40 HydrophobicContact CE2-CB 3.88Å; F20-C40 HydrophobicContact CZ-CB 4.33Å; F20-W43 HydrophobicContact CB-CG 4.24Å
21V87.7Confident84.8Confident61 Ų6161.2 Ų61.237%0.3732%0.322SS..Hα-helixtrans-60.5-45.2175.3178.40000110.4V15 A17 S18 G23 T24 Q25V15-V21 HydrophobicContact CG1-CG2 3.91Å; A17-V21 PolarHBondContact O-N 3.31Å; A17-V21 VanDerWaalsContact O-N 3.14Å; S18-V21 PolarHBondContact O-N 3.45Å; V21-G23 VanDerWaalsContact C-N 3.32Å; V21-G23 PolarHBondContact O-N 2.85Å; V21-T24 PolarHBondContact O-N 3.41Å; V21-T24 PolarHBondContact O-OG1 3.34Å; V21-Q25 WeakPolarHBondContact O-CB 3.37Å; V21-Q25 PolarHBondContact O-N 2.99Å
22L89.4Confident85Confident2 Ų263.2 Ų63.21%0.0133%0.33CS..Hα-helixtrans-61.2-41.2176.9-168.972.2000111.6M1 Y2 Y5 S18 E19 F20 H26 L54 M58M1-L22 HydrophobicContact CB-CD2 3.88Å; Y2-L22 HydrophobicContact CD1-CD1 3.98Å; Y2-L22 HydrophobicContact CD1-CD2 4.13Å; Y2-L22 HydrophobicContact CE1-CB 3.99Å; Y2-L22 HydrophobicContact CE1-CD1 4Å; Y2-L22 HydrophobicContact CE1-CD2 3.87Å; Y2-L22 HydrophobicContact CE1-CG 4.17Å; Y5-L22 HydrophobicContact CD1-CD1 4.14Å; Y5-L22 HydrophobicContact CD2-CD1 4.19Å; Y5-L22 HydrophobicContact CG-CD1 3.81Å; S18-L22 WeakPolarHBondContact O-CB 3.48Å; S18-L22 PolarHBondContact O-N 2.85Å; E19-L22 PolarHBondContact O-N 2.92Å; F20-L22 VanDerWaalsContact C-N 3.32Å; F20-L22 PolarHBondContact O-N 2.98Å; L22-H26 WeakPolarHBondContact O-CB 3.43Å; L22-H26 PolarHBondContact O-N 2.94Å; L22-L54 HydrophobicContact CB-CD2 4.33Å; L22-L54 HydrophobicContact CD2-CD2 4.13Å; L22-L54 HydrophobicContact CG-CD2 4.33Å; L22-M58 HydrophobicContact CD1-CE 4.38Å; L22-M58 HydrophobicContact CD2-CE 3.75Å; L22-M58 HydrophobicContact CG-CE 3.76Å
23G89.9Confident85.4Confident1 Ų170.5 Ų70.51%0.0136%0.356CS..Hα-helixtrans-67.1-40.7177.900000113.5E19 F20 V21 H26 R27 Y50E19-G23 PolarHBondContact O-N 3.32Å; F20-G23 PolarHBondContact O-N 2.98Å; V21-G23 VanDerWaalsContact C-N 3.32Å; V21-G23 PolarHBondContact O-N 2.85Å; G23-H26 WeakPolarHBondContact O-CB 3.4Å; G23-H26 PolarHBondContact O-N 3.42Å; G23-R27 WeakPolarHBondContact O-CG 3.46Å; G23-R27 PolarHBondContact O-N 3.28Å; G23-Y50 WeakPolarHBondContact CA-OH 3.3Å
24T88Confident85.4Confident38 Ų3865.9 Ų65.923%0.23335%0.345CS..Hα-helixtrans-66.9-42.8174.956.60000112F20 V21 H26 R27 A28 I36F20-T24 HydrophobicContact CD2-CG2 4.26Å; F20-T24 HydrophobicContact CE1-CG2 4.28Å; F20-T24 HydrophobicContact CE2-CG2 3.81Å; F20-T24 HydrophobicContact CZ-CG2 3.86Å; F20-T24 WeakPolarHBondContact O-CG2 3.36Å; F20-T24 PolarHBondContact O-N 3.35Å; F20-T24 PolarHBondContact O-OG1 2.86Å; V21-T24 PolarHBondContact O-N 3.41Å; V21-T24 PolarHBondContact O-OG1 3.34Å; T24-H26 VanDerWaalsContact C-N 3.27Å; T24-H26 PolarHBondContact O-N 3.49Å; T24-R27 PolarHBondContact O-N 3.43Å; T24-A28 WeakPolarHBondContact O-CB 3.12Å; T24-A28 PolarHBondContact O-N 2.96Å; T24-I36 HydrophobicContact CG2-CG1 4.49Å
25Q88Confident85.5Confident45 Ų4561.1 Ų61.121%0.2133%0.329CS..Hα-helixtrans-60.3-39.8173.2-169.6-17124.700111Y5 E7 V21 A28 R29Y5-Q25 HydrophobicContact CE1-CG 4.24Å; E7-Q25 PolarHBondContact OE1-NE2 3.09Å; E7-Q25 VanDerWaalsContact OE1-NE2 3.14Å; E7-Q25 PolarHBondContact OE1-OE1 3.33Å; V21-Q25 WeakPolarHBondContact O-CB 3.37Å; V21-Q25 PolarHBondContact O-N 2.99Å; Q25-A28 PolarHBondContact O-N 3.31Å; Q25-R29 WeakPolarHBondContact O-CG 3.37Å; Q25-R29 PolarHBondContact O-N 3.39Å
26H89.8Confident85.8Confident0 Ų064 Ų640%034%0.341CS..Hα-helixtrans-62.5-50.1177.7-177.672.3000113.1Y5 L22 G23 T24 A28 R29 Q30 L54 M58Y5-H26 HydrophobicContact CE2-CB 4.32Å; Y5-H26 AromaticContact CE2-ND1 3.48Å; Y5-H26 WeakPolarHBondContact CE2-ND1 3.22Å; Y5-H26 AromaticContact CZ-ND1 3.63Å; Y5-H26 VanDerWaalsContact OH-CA 3.23Å; Y5-H26 WeakPolarHBondContact OH-CA 3.49Å; Y5-H26 PolarHBondContact OH-ND1 3.14Å; L22-H26 WeakPolarHBondContact O-CB 3.43Å; L22-H26 PolarHBondContact O-N 2.94Å; G23-H26 WeakPolarHBondContact O-CB 3.4Å; G23-H26 PolarHBondContact O-N 3.42Å; T24-H26 VanDerWaalsContact C-N 3.27Å; T24-H26 PolarHBondContact O-N 3.49Å; H26-A28 VanDerWaalsContact C-N 3.29Å; H26-A28 PolarHBondContact O-N 2.89Å; H26-R29 PolarHBondContact O-N 3.49Å; H26-Q30 PolarHBondContact CE1-NE2 3.48Å; H26-Q30 PolarHBondContact CE1-OE1 2.89Å; H26-Q30 PolarHBondContact ND1-NE2 2.64Å; H26-Q30 PolarHBondContact NE2-OE1 3.47Å; H26-Q30 WeakPolarHBondContact O-CB 3.43Å; H26-Q30 WeakPolarHBondContact O-CG 3.19Å; H26-Q30 PolarHBondContact O-N 3.45Å; H26-L54 HydrophobicContact CB-CD1 4.23Å; H26-M58 HydrophobicContact CB-CE 4.04Å
27R86.9Confident86.3Confident51 Ų5162 Ų6219%0.19233%0.334CS..Hα-helixtrans-61.2-38.9175-68.8-171.3-167.1-70.11.5112.2G23 T24 Q30 R31 I32 D39G23-R27 WeakPolarHBondContact O-CG 3.46Å; G23-R27 PolarHBondContact O-N 3.28Å; T24-R27 PolarHBondContact O-N 3.43Å; R27-Q30 PolarHBondContact O-N 3.03Å; R27-R31 CarbonylContact O-C 3.59Å; R27-R31 WeakPolarHBondContact O-CA 3.33Å; R27-R31 PolarHBondContact O-N 3.4Å; R27-I32 HydrophobicContact CB-CB 4.31Å; R27-I32 HydrophobicContact CG-CB 4.22Å; R27-I32 HydrophobicContact CG-CG2 4.48Å; R27-I32 PolarHBondContact O-N 3.04Å; R27-D39 WeakPolarHBondContact CD-OD2 3.37Å; R27-D39 IonicContact CZ-OD1 3.35Å; R27-D39 IonicContact CZ-OD2 3.63Å; R27-D39 IonicContact NE-OD1 3.86Å; R27-D39 PolarHBondContact NE-OD1 2.95Å; R27-D39 IonicContact NE-OD2 2.85Å; R27-D39 PolarHBondContact NE-OD2 3.39Å; R27-D39 IonicContact NH2-OD1 3.8Å; R27-D39 PolarHBondContact NH2-OD1 2.86Å; R27-D39 IonicContact NH2-OD2 3.55Å
28A87.2Confident86.6Confident74 Ų7463.2 Ų63.261%0.61234%0.341SS*.Hα-helixtrans-62.4-45.8178.300000111.7T24 Q25 H26 R31T24-A28 WeakPolarHBondContact O-CB 3.12Å; T24-A28 PolarHBondContact O-N 2.96Å; Q25-A28 PolarHBondContact O-N 3.31Å; H26-A28 VanDerWaalsContact C-N 3.29Å; H26-A28 PolarHBondContact O-N 2.89Å; A28-R31 PolarHBondContact O-N 3.13Å
29R87.2Confident86.7Confident94 Ų9463 Ų6336%0.35534%0.34SS..Hα-helixtrans-66.6-43177.9-68.5-167.5-166.3-172.55.2112.3Q25 H26 R31Q25-R29 WeakPolarHBondContact O-CG 3.37Å; Q25-R29 PolarHBondContact O-N 3.39Å; H26-R29 PolarHBondContact O-N 3.49Å; R29-R31 VanDerWaalsContact C-N 3.28Å; R29-R31 PolarHBondContact O-N 3.22Å
30Q86.3Confident86.7Confident40 Ų4062.5 Ų62.519%0.18734%0.342CS..Hα-helixtrans-85.71.2-177.2-61.2-171.13.200113.9H26 R27 I32 T61H26-Q30 PolarHBondContact CE1-NE2 3.48Å; H26-Q30 PolarHBondContact CE1-OE1 2.89Å; H26-Q30 PolarHBondContact ND1-NE2 2.64Å; H26-Q30 PolarHBondContact NE2-OE1 3.47Å; H26-Q30 WeakPolarHBondContact O-CB 3.43Å; H26-Q30 WeakPolarHBondContact O-CG 3.19Å; H26-Q30 PolarHBondContact O-N 3.45Å; R27-Q30 PolarHBondContact O-N 3.03Å; Q30-I32 HydrophobicContact CB-CD1 3.73Å; Q30-I32 HydrophobicContact CB-CG1 3.75Å; Q30-I32 PolarHBondContact O-N 2.79Å; Q30-I32 VanDerWaalsContact O-N 3.17Å; Q30-I32 VanDerWaalsContact OE1-CD1 3.31Å; Q30-T61 VanDerWaalsContact CD-OG1 3.27Å; Q30-T61 HydrophobicContact CG-CG2 4.21Å; Q30-T61 PolarHBondContact NE2-OG1 3.4Å; Q30-T61 PolarHBondContact OE1-OG1 3.06Å
31R85.2Confident86.9Confident229 Ų22964.7 Ų64.786%0.86436%0.361SS*.THydrogen-bonded Turntrans52.532.6-175.6-57-176.6179.71710.6113.1R27 A28 R29 K33R27-R31 CarbonylContact O-C 3.59Å; R27-R31 WeakPolarHBondContact O-CA 3.33Å; R27-R31 PolarHBondContact O-N 3.4Å; A28-R31 PolarHBondContact O-N 3.13Å; R29-R31 VanDerWaalsContact C-N 3.28Å; R29-R31 PolarHBondContact O-N 3.22Å; R31-K33 PolarHBondContact O-N 3.1Å
32I84.1Confident86.9Confident56 Ų5664.5 Ų64.529%0.28736%0.356SS..  trans-77.8121177.7-60.7169000108R27 Q30 G34R27-I32 HydrophobicContact CB-CB 4.31Å; R27-I32 HydrophobicContact CG-CB 4.22Å; R27-I32 HydrophobicContact CG-CG2 4.48Å; R27-I32 PolarHBondContact O-N 3.04Å; Q30-I32 HydrophobicContact CB-CD1 3.73Å; Q30-I32 HydrophobicContact CB-CG1 3.75Å; Q30-I32 PolarHBondContact O-N 2.79Å; Q30-I32 VanDerWaalsContact O-N 3.17Å; Q30-I32 VanDerWaalsContact OE1-CD1 3.31Å; I32-G34 PolarHBondContact O-N 3.14Å
33K84.5Confident86.9Confident207 Ų20768 Ų6890%0.937%0.369SS*.  trans-65.5129175.9-71.2-177.8178.1172.90110.1R31R31-K33 PolarHBondContact O-N 3.1Å
34G79.8Confident86.9Confident52 Ų5273.6 Ų73.654%0.53640%0.398SS..  trans-170.5158.3177.900000110.6I32I32-G34 PolarHBondContact O-N 3.14Å
35G85.8Confident87.1Confident35 Ų3583 Ų8336%0.36143%0.429SS..  trans-96.6129.1177.300000111.1A37 S38 D39G35-A37 PolarHBondContact O-N 3.26Å; G35-S38 PolarHBondContact N-OG 3.29Å; G35-S38 PolarHBondContact O-N 2.83Å; G35-S38 PolarHBondContact O-OG 3.49Å; G35-D39 PolarHBondContact O-N 3.41Å
36I86.4Confident87.3Confident118 Ų11882.3 Ų82.361%0.60543%0.429SS*.Hα-helixtrans-54.1-42.3173.1-61.7175.8000110.4F20 T24 S38 D39 C40F20-I36 HydrophobicContact CE2-CG2 4.12Å; F20-I36 WeakPolarHBondContact CE2-O 3.45Å; F20-I36 HydrophobicContact CZ-CG2 3.51Å; T24-I36 HydrophobicContact CG2-CG1 4.49Å; I36-S38 VanDerWaalsContact C-N 3.33Å; I36-S38 PolarHBondContact O-N 2.91Å; I36-D39 PolarHBondContact O-N 3.39Å; I36-C40 WeakPolarHBondContact O-CB 3.45Å; I36-C40 PolarHBondContact O-N 3.46Å
37A87.3Confident87.1Confident73 Ų7385.1 Ų85.160%0.60345%0.449SS*.Hα-helixtrans-61.6-39.217600000112.7G35 C40 C41G35-A37 PolarHBondContact O-N 3.26Å; A37-C40 PolarHBondContact O-N 2.83Å; A37-C41 PolarHBondContact O-N 3.02Å; A37-C41 PolarHBondContact O-SG 3.14Å
38S87.3Confident87.3Confident51 Ų5186.3 Ų86.336%0.35747%0.465SS..Hα-helixtrans-68.5-36.4178.868.90000112.8G35 I36 Q42G35-S38 PolarHBondContact N-OG 3.29Å; G35-S38 PolarHBondContact O-N 2.83Å; G35-S38 PolarHBondContact O-OG 3.49Å; I36-S38 VanDerWaalsContact C-N 3.33Å; I36-S38 PolarHBondContact O-N 2.91Å; S38-Q42 WeakPolarHBondContact O-CG 3.21Å; S38-Q42 PolarHBondContact O-N 3.01Å
39D87Confident87.5Confident2 Ų286.2 Ų86.21%0.01146%0.458CS..Hα-helixtrans-69.3-39175.1-72.8-31.3000110.5F20 R27 G35 I36 Q42 W43 Y50F20-D39 HydrophobicContact CD2-CB 3.99Å; F20-D39 HydrophobicContact CE2-CB 3.87Å; R27-D39 WeakPolarHBondContact CD-OD2 3.37Å; R27-D39 IonicContact CZ-OD1 3.35Å; R27-D39 IonicContact CZ-OD2 3.63Å; R27-D39 IonicContact NE-OD1 3.86Å; R27-D39 PolarHBondContact NE-OD1 2.95Å; R27-D39 IonicContact NE-OD2 2.85Å; R27-D39 PolarHBondContact NE-OD2 3.39Å; R27-D39 IonicContact NH2-OD1 3.8Å; R27-D39 PolarHBondContact NH2-OD1 2.86Å; R27-D39 IonicContact NH2-OD2 3.55Å; G35-D39 PolarHBondContact O-N 3.41Å; I36-D39 PolarHBondContact O-N 3.39Å; D39-Q42 PolarHBondContact O-N 2.86Å; D39-W43 WeakPolarHBondContact O-CB 3.46Å; D39-W43 PolarHBondContact O-N 3.39Å; D39-Y50 HydrophobicContact CB-CE2 3.84Å
40C87.2Confident87.7Confident46 Ų4682.1 Ų82.131%0.31144%0.443SS..Hα-helixtrans-61.2-49.2174-1750000111.5F20 I36 A37 Q42 W43 I44F20-C40 HydrophobicContact CD2-CB 4.43Å; F20-C40 HydrophobicContact CE2-CB 3.88Å; F20-C40 HydrophobicContact CZ-CB 4.33Å; I36-C40 WeakPolarHBondContact O-CB 3.45Å; I36-C40 PolarHBondContact O-N 3.46Å; A37-C40 PolarHBondContact O-N 2.83Å; C40-Q42 VanDerWaalsContact C-N 3.32Å; C40-Q42 PolarHBondContact O-N 2.74Å; C40-W43 PolarHBondContact O-N 3.01Å; C40-I44 VanDerWaalsContact O-CG1 3.28Å; C40-I44 WeakPolarHBondContact O-CG1 3.44Å; C40-I44 PolarHBondContact O-N 2.92Å
41C90.4Very high88Confident84 Ų8482 Ų8257%0.56845%0.445SS*.Hα-helixtrans-61.6-38.2177.2-67.70000112.7A37 W45A37-C41 PolarHBondContact O-N 3.02Å; A37-C41 PolarHBondContact O-SG 3.14Å; C41-W45 WeakPolarHBondContact O-CB 3.47Å; C41-W45 PolarHBondContact O-N 3.22Å
42Q88.1Confident88.4Confident57 Ų5774.9 Ų74.927%0.26643%0.429SS..Hα-helixtrans-67.5-40.9176.2-77.3174.24600112.2S38 D39 C40 W45 C46 Y50 R53S38-Q42 WeakPolarHBondContact O-CG 3.21Å; S38-Q42 PolarHBondContact O-N 3.01Å; D39-Q42 PolarHBondContact O-N 2.86Å; C40-Q42 VanDerWaalsContact C-N 3.32Å; C40-Q42 PolarHBondContact O-N 2.74Å; Q42-W45 PolarHBondContact O-N 3.45Å; Q42-C46 CarbonylContact O-C 3.52Å; Q42-C46 PolarHBondContact O-N 3.26Å; Q42-Y50 HydrophobicContact CB-CD2 3.93Å; Q42-R53 VanDerWaalsContact CD-NH1 3.32Å
43W88.9Confident88.8Confident74 Ų7478.7 Ų78.728%0.2844%0.44SS..Hα-helixtrans-65.6-40.8176.7179.885.5000111.6A17 E19 F20 D39 C40 C46 S47 Y50A17-W43 HydrophobicContact CB-CD2 4.34Å; A17-W43 HydrophobicContact CB-CE3 4.36Å; A17-W43 HydrophobicContact CB-CH2 3.53Å; A17-W43 HydrophobicContact CB-CZ2 3.47Å; A17-W43 VanDerWaalsContact CB-CZ2 3.47Å; A17-W43 HydrophobicContact CB-CZ3 3.98Å; E19-W43 PolarHBondContact OE2-NE1 3.39Å; F20-W43 HydrophobicContact CB-CG 4.24Å; D39-W43 WeakPolarHBondContact O-CB 3.46Å; D39-W43 PolarHBondContact O-N 3.39Å; C40-W43 PolarHBondContact O-N 3.01Å; W43-C46 CarbonylContact O-C 3.51Å; W43-S47 WeakPolarHBondContact O-CA 3.28Å; W43-S47 PolarHBondContact O-N 3.01Å; W43-Y50 HydrophobicContact CB-CD1 4.32Å; W43-Y50 HydrophobicContact CB-CD2 4.46Å; W43-Y50 HydrophobicContact CB-CG 4.15Å; W43-Y50 AromaticContact CD1-CD1 3.94Å
44I90.6Very high89.2Confident119 Ų11969.4 Ų69.461%0.6140%0.4SS*.Hα-helixtrans-64.4-43.9174.9-67.6168.7000111.2C40C40-I44 VanDerWaalsContact O-CG1 3.28Å; C40-I44 WeakPolarHBondContact O-CG1 3.44Å; C40-I44 PolarHBondContact O-N 2.92Å
45W91.4Very high89.8Confident236 Ų23671 Ų7189%0.89439%0.39SS*.Hα-helixtrans-67.1-44.2-178.5-173.3-93.5000112.3C41 Q42C41-W45 WeakPolarHBondContact O-CB 3.47Å; C41-W45 PolarHBondContact O-N 3.22Å; Q42-W45 PolarHBondContact O-N 3.45Å
46C91.5Very high90.2Very high30 Ų3078 Ų7820%0.20341%0.406CS..  trans-158.696.7177.5-1790000110.4Q42 W43 S48 C49 Y50Q42-C46 CarbonylContact O-C 3.52Å; Q42-C46 PolarHBondContact O-N 3.26Å; W43-C46 CarbonylContact O-C 3.51Å; C46-S48 VanDerWaalsContact C-N 3.33Å; C46-S48 PolarHBondContact O-N 3.4Å; C46-S48 PolarHBondContact SG-OG 3.45Å; C46-C49 HydrophobicContact CB-CB 3.57Å; C46-C49 WeakPolarHBondContact CB-SG 3.37Å; C46-C49 WeakPolarHBondContact O-CB 3.46Å; C46-C49 PolarHBondContact O-N 3.48Å; C46-C49 WeakPolarHBondContact SG-CB 3.34Å; C46-C49 PolarHBondContact SG-N 2.81Å; C46-C49 CovalentContact SG-SG 2.05Å; C46-C49 PolarHBondContact SG-SG 3.12Å; C46-Y50 PolarHBondContact O-N 3.39Å
47S86.9Confident90.4Very high60 Ų6074.8 Ų74.842%0.4239%0.39SS..Hα-helixtrans-60.4-41.9179.160.10000112W43 C49 Y50 V51W43-S47 WeakPolarHBondContact O-CA 3.28Å; W43-S47 PolarHBondContact O-N 3.01Å; S47-C49 VanDerWaalsContact C-N 3.35Å; S47-C49 PolarHBondContact O-N 3.43Å; S47-Y50 WeakPolarHBondContact O-CB 3.41Å; S47-Y50 PolarHBondContact O-N 3.41Å; S47-V51 VanDerWaalsContact O-CG2 3.28Å; S47-V51 WeakPolarHBondContact O-CG2 3.38Å; S47-V51 PolarHBondContact O-N 2.93Å
48S89.5Confident90.6Very high76 Ų7671.3 Ų71.353%0.53136%0.361SS..Hα-helixtrans-62.6-40.8176.858.20000112.1C46 V51 C52C46-S48 VanDerWaalsContact C-N 3.33Å; C46-S48 PolarHBondContact O-N 3.4Å; C46-S48 PolarHBondContact SG-OG 3.45Å; S48-V51 PolarHBondContact O-N 2.99Å; S48-C52 WeakPolarHBondContact O-CB 3.47Å; S48-C52 PolarHBondContact O-N 3.19Å; S48-C52 PolarHBondContact O-SG 3.17Å
49C92.6Very high90.8Very high71 Ų7172.4 Ų72.448%0.4836%0.363SS..Hα-helixtrans-65.5-41.6176-520000111.3C46 S47 C52 R53C46-C49 HydrophobicContact CB-CB 3.57Å; C46-C49 WeakPolarHBondContact CB-SG 3.37Å; C46-C49 WeakPolarHBondContact O-CB 3.46Å; C46-C49 PolarHBondContact O-N 3.48Å; C46-C49 WeakPolarHBondContact SG-CB 3.34Å; C46-C49 PolarHBondContact SG-N 2.81Å; C46-C49 CovalentContact SG-SG 2.05Å; C46-C49 PolarHBondContact SG-SG 3.12Å; S47-C49 VanDerWaalsContact C-N 3.35Å; S47-C49 PolarHBondContact O-N 3.43Å; C49-C52 PolarHBondContact O-N 3.42Å; C49-R53 WeakPolarHBondContact O-CB 3.45Å; C49-R53 PolarHBondContact O-N 3.24Å
50Y92Very high91.1Very high8 Ų878.7 Ų78.73%0.03139%0.387CS..Hα-helixtrans-60.8-46.4176.3-179.8-96000111E19 G23 D39 Q42 W43 C46 S47 R53 L54E19-Y50 HydrophobicContact CB-CD1 4.47Å; E19-Y50 WeakPolarHBondContact O-CE1 3.49Å; G23-Y50 WeakPolarHBondContact CA-OH 3.3Å; D39-Y50 HydrophobicContact CB-CE2 3.84Å; Q42-Y50 HydrophobicContact CB-CD2 3.93Å; W43-Y50 HydrophobicContact CB-CD1 4.32Å; W43-Y50 HydrophobicContact CB-CD2 4.46Å; W43-Y50 HydrophobicContact CB-CG 4.15Å; W43-Y50 AromaticContact CD1-CD1 3.94Å; C46-Y50 PolarHBondContact O-N 3.39Å; S47-Y50 WeakPolarHBondContact O-CB 3.41Å; S47-Y50 PolarHBondContact O-N 3.41Å; Y50-R53 PolarHBondContact O-N 2.84Å; Y50-L54 HydrophobicContact CE1-CD2 4.45Å; Y50-L54 WeakPolarHBondContact O-CB 3.43Å; Y50-L54 PolarHBondContact O-N 3.29Å
51V91.7Very high91.2Very high39 Ų3977 Ų7724%0.23638%0.375CS..Hα-helixtrans-62.4-45.1176.3174.10000111.5M1 E19 S47 S48 R53 L54 R55M1-V51 HydrophobicContact CE-CG1 3.28Å; M1-V51 WeakPolarHBondContact CE-O 3.24Å; M1-V51 HydrophobicContact SD-CG1 4.44Å; E19-V51 HydrophobicContact CB-CG2 3.73Å; E19-V51 HydrophobicContact CG-CG2 3.57Å; S47-V51 VanDerWaalsContact O-CG2 3.28Å; S47-V51 WeakPolarHBondContact O-CG2 3.38Å; S47-V51 PolarHBondContact O-N 2.93Å; S48-V51 PolarHBondContact O-N 2.99Å; V51-R53 VanDerWaalsContact C-N 3.33Å; V51-R53 PolarHBondContact O-N 3.26Å; V51-L54 PolarHBondContact O-N 3.43Å; V51-R55 PolarHBondContact O-N 2.92Å
52C93.9Very high91.1Very high78 Ų7875.7 Ų75.753%0.52736%0.363SS..Hα-helixtrans-61-41.2176.3-74.80000112.4S48 C49 R55 R56S48-C52 WeakPolarHBondContact O-CB 3.47Å; S48-C52 PolarHBondContact O-N 3.19Å; S48-C52 PolarHBondContact O-SG 3.17Å; C49-C52 PolarHBondContact O-N 3.42Å; C52-R55 PolarHBondContact O-N 3.36Å; C52-R56 PolarHBondContact O-N 2.92Å; C52-R56 VanDerWaalsContact O-N 3.12Å
53R92.1Very high91.3Very high137 Ų13777.5 Ų77.552%0.51738%0.382SS..Hα-helixtrans-63.2-47.8174.6-180179.5-68.9-162.8-7.4110.6Q42 C49 Y50 V51 R55 R56 D57Q42-R53 VanDerWaalsContact CD-NH1 3.32Å; C49-R53 WeakPolarHBondContact O-CB 3.45Å; C49-R53 PolarHBondContact O-N 3.24Å; Y50-R53 PolarHBondContact O-N 2.84Å; V51-R53 VanDerWaalsContact C-N 3.33Å; V51-R53 PolarHBondContact O-N 3.26Å; R53-R55 VanDerWaalsContact C-N 3.33Å; R53-R55 PolarHBondContact O-N 2.87Å; R53-R56 WeakPolarHBondContact O-CB 3.45Å; R53-R56 PolarHBondContact O-N 3.35Å; R53-D57 PolarHBondContact O-N 3.41Å
54L91.8Very high91.3Very high12 Ų1279.9 Ų79.96%0.06340%0.396CS..Hα-helixtrans-60.8-41.2178.2-17563.6000111.5L22 H26 Y50 V51 R56 D57 M58L22-L54 HydrophobicContact CB-CD2 4.33Å; L22-L54 HydrophobicContact CD2-CD2 4.13Å; L22-L54 HydrophobicContact CG-CD2 4.33Å; H26-L54 HydrophobicContact CB-CD1 4.23Å; Y50-L54 HydrophobicContact CE1-CD2 4.45Å; Y50-L54 WeakPolarHBondContact O-CB 3.43Å; Y50-L54 PolarHBondContact O-N 3.29Å; V51-L54 PolarHBondContact O-N 3.43Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 3.31Å; L54-D57 PolarHBondContact O-N 2.91Å; L54-M58 HydrophobicContact CD1-CE 4.17Å; L54-M58 HydrophobicContact CD2-CE 4.22Å; L54-M58 HydrophobicContact CG-CE 4.08Å; L54-M58 HydrophobicContact CG-CG 4.44Å; L54-M58 WeakPolarHBondContact O-CG 3.48Å; L54-M58 PolarHBondContact O-N 3.02Å
55R92.8Very high91.1Very high84 Ų8479.7 Ų79.732%0.31740%0.396SS..Hα-helixtrans-59.6-44.1175.5-168.245.6170.7-179.22.7112.1M1 D4 V51 C52 R53 D57 M58 N59M1-R55 HydrophobicContact CE-CB 3.38Å; M1-R55 HydrophobicContact CE-CG 3.82Å; M1-R55 HydrophobicContact SD-CB 3.93Å; M1-R55 HydrophobicContact SD-CG 4.36Å; D4-R55 IonicContact OD2-CZ 2.68Å; D4-R55 IonicContact OD2-NH1 2.87Å; D4-R55 PolarHBondContact OD2-NH1 2.99Å; D4-R55 IonicContact OD2-NH2 3.61Å; V51-R55 PolarHBondContact O-N 2.92Å; C52-R55 PolarHBondContact O-N 3.36Å; R53-R55 VanDerWaalsContact C-N 3.33Å; R53-R55 PolarHBondContact O-N 2.87Å; R55-D57 VanDerWaalsContact C-N 3.3Å; R55-M58 PolarHBondContact O-N 3.35Å; R55-N59 PolarHBondContact NE-OD1 2.96Å; R55-N59 WeakPolarHBondContact O-CB 3.28Å; R55-N59 PolarHBondContact O-N 2.65Å; R55-N59 PolarHBondContact O-OD1 3.2Å
56R93.7Very high90.8Very high183 Ų18371.1 Ų71.169%0.69138%0.381SS*.Hα-helixtrans-63.7-42.5-179-169.8-177.4-63146.30.3110.1C52 R53 L54 N59 Y60C52-R56 PolarHBondContact O-N 2.92Å; C52-R56 VanDerWaalsContact O-N 3.12Å; R53-R56 WeakPolarHBondContact O-CB 3.45Å; R53-R56 PolarHBondContact O-N 3.35Å; L54-R56 VanDerWaalsContact C-N 3.32Å; L54-R56 PolarHBondContact O-N 3.31Å; R56-N59 PolarHBondContact O-N 2.85Å; R56-Y60 WeakPolarHBondContact O-CB 3.37Å; R56-Y60 PolarHBondContact O-N 3.44Å
57D90.9Very high90.5Very high50 Ų5073.6 Ų73.627%0.26740%0.395SS..Hα-helixtrans-63.1-50.4176.1-14219.2000110.5R53 L54 R55 N59 Y60 T61R53-D57 PolarHBondContact O-N 3.41Å; L54-D57 PolarHBondContact O-N 2.91Å; R55-D57 VanDerWaalsContact C-N 3.3Å; D57-N59 VanDerWaalsContact C-N 3.33Å; D57-N59 PolarHBondContact O-N 3.18Å; D57-Y60 CarbonylContact O-C 3.6Å; D57-Y60 WeakPolarHBondContact O-CA 3.49Å; D57-Y60 WeakPolarHBondContact O-CB 3.38Å; D57-Y60 PolarHBondContact O-N 3.25Å; D57-T61 PolarHBondContact O-N 3.07Å; D57-T61 PolarHBondContact O-OG1 2.96Å
58M91.2Very high90.2Very high0 Ų071.2 Ų71.20%038%0.377CS..Hα-helixtrans-56.9-43.6176.7-66.6-131.7-176.700113.2Y5 L22 H26 L54 R55 Y60 T61 L62 L68Y5-M58 HydrophobicContact CD2-CE 3.44Å; Y5-M58 VanDerWaalsContact CD2-CE 3.44Å; Y5-M58 HydrophobicContact CD2-SD 3.51Å; Y5-M58 VanDerWaalsContact CD2-SD 3.51Å; Y5-M58 HydrophobicContact CE2-CE 3.29Å; Y5-M58 HydrophobicContact CE2-SD 3.45Å; Y5-M58 WeakPolarHBondContact CE2-SD 3.32Å; L22-M58 HydrophobicContact CD1-CE 4.38Å; L22-M58 HydrophobicContact CD2-CE 3.75Å; L22-M58 HydrophobicContact CG-CE 3.76Å; H26-M58 HydrophobicContact CB-CE 4.04Å; L54-M58 HydrophobicContact CD1-CE 4.17Å; L54-M58 HydrophobicContact CD2-CE 4.22Å; L54-M58 HydrophobicContact CG-CE 4.08Å; L54-M58 HydrophobicContact CG-CG 4.44Å; L54-M58 WeakPolarHBondContact O-CG 3.48Å; L54-M58 PolarHBondContact O-N 3.02Å; R55-M58 PolarHBondContact O-N 3.35Å; M58-Y60 VanDerWaalsContact C-N 3.32Å; M58-T61 PolarHBondContact O-N 3.26Å; M58-L62 WeakPolarHBondContact O-CB 3.35Å; M58-L62 VanDerWaalsContact O-CG 3.32Å; M58-L62 WeakPolarHBondContact O-CG 3.07Å; M58-L62 PolarHBondContact O-N 2.99Å; M58-L68 HydrophobicContact CB-CD1 4.43Å; M58-L68 HydrophobicContact CB-CD2 4.19Å; M58-L68 HydrophobicContact CG-CD2 4.48Å; M58-L68 HydrophobicContact SD-CD1 3.7Å; M58-L68 HydrophobicContact SD-CD2 4.24Å
59N92.9Very high89.6Confident74 Ų7475 Ų7540%0.39639%0.39SS..Hα-helixtrans-66.1-37.7177.7-72.7-7.6000111.2R55 R56 D57 S63R55-N59 PolarHBondContact NE-OD1 2.96Å; R55-N59 WeakPolarHBondContact O-CB 3.28Å; R55-N59 PolarHBondContact O-N 2.65Å; R55-N59 PolarHBondContact O-OD1 3.2Å; R56-N59 PolarHBondContact O-N 2.85Å; D57-N59 VanDerWaalsContact C-N 3.33Å; D57-N59 PolarHBondContact O-N 3.18Å; N59-S63 WeakPolarHBondContact O-CB 3.36Å; N59-S63 PolarHBondContact O-N 2.89Å
60Y92.1Very high89.5Confident135 Ų13575.2 Ų75.253%0.52939%0.385SS..Hα-helixtrans-62.8-48.1174.5-175.1-98.9000110.4R56 D57 M58 L62 S63 Q64R56-Y60 WeakPolarHBondContact O-CB 3.37Å; R56-Y60 PolarHBondContact O-N 3.44Å; D57-Y60 CarbonylContact O-C 3.6Å; D57-Y60 WeakPolarHBondContact O-CA 3.49Å; D57-Y60 WeakPolarHBondContact O-CB 3.38Å; D57-Y60 PolarHBondContact O-N 3.25Å; M58-Y60 VanDerWaalsContact C-N 3.32Å; Y60-L62 PolarHBondContact O-N 2.94Å; Y60-S63 PolarHBondContact O-N 3.23Å; Y60-S63 VanDerWaalsContact O-N 3.12Å; Y60-S63 PolarHBondContact O-OG 3.05Å; Y60-Q64 HydrophobicContact CD1-CG 4.48Å; Y60-Q64 VanDerWaalsContact CE1-CD 3.41Å; Y60-Q64 HydrophobicContact CE1-CG 4.15Å; Y60-Q64 PolarHBondContact O-N 3.28Å; Y60-Q64 VanDerWaalsContact O-N 3.13Å; Y60-Q64 PolarHBondContact OH-NE2 2.93Å
61T89.8Confident89.3Confident9 Ų978.7 Ų78.76%0.05540%0.404CS..Hα-helixtrans-67.9-37.3178.8-21.10000113Q30 D57 M58 S63 Q64 L65Q30-T61 VanDerWaalsContact CD-OG1 3.27Å; Q30-T61 HydrophobicContact CG-CG2 4.21Å; Q30-T61 PolarHBondContact NE2-OG1 3.4Å; Q30-T61 PolarHBondContact OE1-OG1 3.06Å; D57-T61 PolarHBondContact O-N 3.07Å; D57-T61 PolarHBondContact O-OG1 2.96Å; M58-T61 PolarHBondContact O-N 3.26Å; T61-S63 PolarHBondContact O-N 3.37Å; T61-Q64 PolarHBondContact O-N 3.41Å; T61-Q64 VanDerWaalsContact O-N 3.09Å; T61-L65 HydrophobicContact CG2-CD1 3.57Å; T61-L65 HydrophobicContact CG2-CG 4.23Å; T61-L65 PolarHBondContact O-N 3.29Å
62L89.7Confident89.2Confident58 Ų5880.9 Ų80.930%0.30441%0.413SS..Hα-helixtrans-57.5-39.4171.6-83169.5000111.4M58 Y60 Q64 G66 L68M58-L62 WeakPolarHBondContact O-CB 3.35Å; M58-L62 VanDerWaalsContact O-CG 3.32Å; M58-L62 WeakPolarHBondContact O-CG 3.07Å; M58-L62 PolarHBondContact O-N 2.99Å; Y60-L62 PolarHBondContact O-N 2.94Å; L62-Q64 VanDerWaalsContact C-N 3.3Å; L62-Q64 PolarHBondContact O-N 2.95Å; L62-G66 WeakPolarHBondContact O-CA 3.03Å; L62-G66 PolarHBondContact O-N 3.44Å; L62-L68 HydrophobicContact CD1-CD1 3.89Å; L62-L68 HydrophobicContact CD1-CG 4.22Å; L62-L68 HydrophobicContact CD2-CD1 4.08Å; L62-L68 HydrophobicContact CD2-CD2 4.37Å; L62-L68 HydrophobicContact CD2-CG 3.66Å; L62-L68 HydrophobicContact CG-CD1 3.91Å; L62-L68 HydrophobicContact CG-CD2 3.91Å; L62-L68 HydrophobicContact CG-CG 3.65Å
63S90.4Very high88.9Confident95 Ų9581.1 Ų81.166%0.66441%0.406SS*.Hα-helixtrans-70.1-25.9177.473.70000113.6N59 Y60 T61N59-S63 WeakPolarHBondContact O-CB 3.36Å; N59-S63 PolarHBondContact O-N 2.89Å; Y60-S63 PolarHBondContact O-N 3.23Å; Y60-S63 VanDerWaalsContact O-N 3.12Å; Y60-S63 PolarHBondContact O-OG 3.05Å; T61-S63 PolarHBondContact O-N 3.37Å
64Q89.3Confident88.7Confident123 Ų12377.6 Ų77.658%0.57540%0.399SS*.Hα-helixtrans-90.7-44.2-179.3-68.7-160.6-37.200113.8Y60 T61 L62Y60-Q64 HydrophobicContact CD1-CG 4.48Å; Y60-Q64 VanDerWaalsContact CE1-CD 3.41Å; Y60-Q64 HydrophobicContact CE1-CG 4.15Å; Y60-Q64 PolarHBondContact O-N 3.28Å; Y60-Q64 VanDerWaalsContact O-N 3.13Å; Y60-Q64 PolarHBondContact OH-NE2 2.93Å; T61-Q64 PolarHBondContact O-N 3.41Å; T61-Q64 VanDerWaalsContact O-N 3.09Å; L62-Q64 VanDerWaalsContact C-N 3.3Å; L62-Q64 PolarHBondContact O-N 2.95Å
65L87.9Confident88.5Confident116 Ų11681.9 Ų81.961%0.60742%0.422SS*.Hα-helixtrans-104-14.2-174-67.5171.7000113T61 T67T61-L65 HydrophobicContact CG2-CD1 3.57Å; T61-L65 HydrophobicContact CG2-CG 4.23Å; T61-L65 PolarHBondContact O-N 3.29Å; L65-T67 PolarHBondContact O-N 3.47Å; L65-T67 VanDerWaalsContact O-N 3.09Å
66G83.9Confident88.2Confident56 Ų5681.8 Ų81.858%0.57743%0.429SS*.SBendtrans71.7-9-172.400000114.6L62L62-G66 WeakPolarHBondContact O-CA 3.03Å; L62-G66 PolarHBondContact O-N 3.44Å
67T84.6Confident87.8Confident82 Ų8274 Ų7450%0.50341%0.409SS..  trans-144.7154.3-174.955.90000111.4L65L65-T67 PolarHBondContact O-N 3.47Å; L65-T67 VanDerWaalsContact O-N 3.09Å
68L81.1Confident87.5Confident9 Ų976 Ų765%0.04742%0.421CS..  trans-105.4-2.5175-69.9171.2000113.1D4 Y5 M58 L62D4-L68 HydrophobicContact CB-CD1 3.81Å; Y5-L68 HydrophobicContact CD2-CB 4.17Å; Y5-L68 HydrophobicContact CD2-CD1 3.98Å; Y5-L68 HydrophobicContact CE2-CB 3.84Å; Y5-L68 HydrophobicContact CE2-CD1 4.09Å; Y5-L68 HydrophobicContact CE2-CD2 4.31Å; Y5-L68 HydrophobicContact CE2-CG 4.3Å; Y5-L68 PolarHBondContact OH-O 2.05Å; M58-L68 HydrophobicContact CB-CD1 4.43Å; M58-L68 HydrophobicContact CB-CD2 4.19Å; M58-L68 HydrophobicContact CG-CD2 4.48Å; M58-L68 HydrophobicContact SD-CD1 3.7Å; M58-L68 HydrophobicContact SD-CD2 4.24Å; L62-L68 HydrophobicContact CD1-CD1 3.89Å; L62-L68 HydrophobicContact CD1-CG 4.22Å; L62-L68 HydrophobicContact CD2-CD1 4.08Å; L62-L68 HydrophobicContact CD2-CD2 4.37Å; L62-L68 HydrophobicContact CD2-CG 3.66Å; L62-L68 HydrophobicContact CG-CD1 3.91Å; L62-L68 HydrophobicContact CG-CD2 3.91Å; L62-L68 HydrophobicContact CG-CG 3.65Å
69I77.6Confident87.2Confident155 Ų15582.9 Ų82.980%0.79546%0.459SS*.  trans-112.60-171.6-55.3-179.6000109

Retrieved 69 of 69 residues in 200.7 ms (Link to these results)

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