A0A077YYB0_TRITR Loading...

Elongin-C

AlphaFold DB , UniProt , Accession A0A077YYB0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 119 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
1M39.4Very low48.6Very low197 Ų197107.4 Ų107.497%0.9753%0.525SS*.  0920-156.1168.6179.100106.6I3 E35M1-I3 PolarHBondContact O-N 3.11Å; M1-E35 WeakPolarHBondContact CE-OE1 3.43Å
2N39.6Very low49.5Very low146 Ų146106.3 Ų106.378%0.78152%0.523SS*.  trans-83.8103.3-179.5-98.9-39.2000107.8K4N2-K4 PolarHBondContact O-N 3.39Å
3I48.1Very low50.2Low117 Ų117113.9 Ų113.960%0.656%0.557SS**  trans-71.796169.9-60.4168.6000106.3M1 M5M1-I3 PolarHBondContact O-N 3.11Å; I3-M5 PolarHBondContact O-N 2.99Å
4K50.4Low51.2Low113 Ų113108.6 Ų108.649%0.49155%0.546SS..  trans-7486.7162.4-82.5-170.3177.6178.30106.9N2 F6N2-K4 PolarHBondContact O-N 3.39Å; K4-F6 VanDerWaalsContact C-N 3.32Å; K4-F6 HydrophobicContact CB-CD2 4.4Å; K4-F6 HydrophobicContact CB-CE2 4.09Å; K4-F6 WeakPolarHBondContact O-CD2 3.4Å; K4-F6 PolarHBondContact O-N 3.05Å
5M48.8Very low52.4Low102 Ų102108.5 Ų108.550%0.50256%0.556SS.*  trans-65102.8163-151.6-176.3-128.900105.5I3 R7 F11 V16I3-M5 PolarHBondContact O-N 2.99Å; M5-R7 PolarHBondContact O-N 3.36Å; M5-F11 HydrophobicContact CG-CE2 4.21Å; M5-V16 HydrophobicContact CE-CB 4.13Å; M5-V16 HydrophobicContact CE-CG1 4.48Å; M5-V16 HydrophobicContact CE-CG2 3.8Å
6F52Low54Low16 Ų16104.8 Ų104.87%0.0754%0.54CS..  trans-64.787.4175.4-85.5-89.8000108.1K4 E8 F9 F11 F36 Q78K4-F6 VanDerWaalsContact C-N 3.32Å; K4-F6 HydrophobicContact CB-CD2 4.4Å; K4-F6 HydrophobicContact CB-CE2 4.09Å; K4-F6 WeakPolarHBondContact O-CD2 3.4Å; K4-F6 PolarHBondContact O-N 3.05Å; F6-E8 PolarHBondContact O-N 3.32Å; F6-F9 HydrophobicContact CB-CD2 3.27Å; F6-F9 HydrophobicContact CB-CE2 3.45Å; F6-F9 VanDerWaalsContact CB-CE2 3.45Å; F6-F9 HydrophobicContact CB-CG 4.44Å; F6-F9 AromaticContact CD1-CE2 3.96Å; F6-F9 HydrophobicContact CD1-CE2 3.96Å; F6-F9 HydrophobicContact CD2-CE2 4.4Å; F6-F9 HydrophobicContact CG-CD2 4.04Å; F6-F9 AromaticContact CG-CE2 3.68Å; F6-F9 HydrophobicContact CG-CE2 3.68Å; F6-F9 PolarHBondContact O-N 3.33Å; F6-F11 WeakPolarHBondContact O-CE2 3.45Å; F6-F36 AromaticContact CD2-CD1 3.45Å; F6-F36 HydrophobicContact CD2-CD1 3.45Å; F6-F36 VanDerWaalsContact CD2-CD1 3.45Å; F6-F36 AromaticContact CD2-CE1 3.87Å; F6-F36 HydrophobicContact CD2-CE1 3.87Å; F6-F36 HydrophobicContact CD2-CG 4.23Å; F6-F36 HydrophobicContact CE1-CE1 4.21Å; F6-F36 AromaticContact CE2-CD1 3.07Å; F6-F36 HydrophobicContact CE2-CD1 3.07Å; F6-F36 AromaticContact CE2-CE1 2.98Å; F6-F36 HydrophobicContact CE2-CE1 2.98Å; F6-F36 AromaticContact CE2-CG 3.99Å; F6-F36 HydrophobicContact CE2-CG 3.99Å; F6-F36 AromaticContact CE2-CZ 3.84Å; F6-F36 HydrophobicContact CE2-CZ 3.84Å; F6-F36 HydrophobicContact CG-CD1 4.34Å; F6-F36 AromaticContact CZ-CD1 3.7Å; F6-F36 HydrophobicContact CZ-CD1 3.7Å; F6-F36 AromaticContact CZ-CE1 3.2Å; F6-F36 HydrophobicContact CZ-CE1 3.2Å; F6-F36 HydrophobicContact CZ-CZ 4.09Å; F6-Q78 VanDerWaalsContact CE1-CD 3.47Å; F6-Q78 HydrophobicContact CE1-CG 3.58Å; F6-Q78 HydrophobicContact CZ-CB 4.33Å; F6-Q78 HydrophobicContact CZ-CG 3.76Å
7R46.8Very low55.5Low227 Ų227102.2 Ų102.286%0.85753%0.53SS*.THydrogen-bonded Turntrans-56.5-13.5168.6-79.8-175.3164.1-175.6-5.5112.2M5 F9M5-R7 PolarHBondContact O-N 3.36Å; R7-F9 VanDerWaalsContact C-N 3.3Å
8E47.4Very low56.9Low129 Ų12997.6 Ų97.660%0.60351%0.508SS*.THydrogen-bonded Turntrans-70.5-21.9172.5-65.7177.3-179.800113.3F6 A10 H82F6-E8 PolarHBondContact O-N 3.32Å; E8-A10 PolarHBondContact O-N 3.2Å; E8-H82 IonicContact OE2-CE1 3.68Å; E8-H82 IonicContact OE2-NE2 2.83Å; E8-H82 PolarHBondContact OE2-NE2 2.6Å
9F51.9Low58.1Low9 Ų999.2 Ų99.24%0.03952%0.516CS..SBendtrans-89.8105.1166.3-56.9-67.8000107F6 R7 F11 I38 C81 H82 Q85F6-F9 HydrophobicContact CB-CD2 3.27Å; F6-F9 HydrophobicContact CB-CE2 3.45Å; F6-F9 VanDerWaalsContact CB-CE2 3.45Å; F6-F9 HydrophobicContact CB-CG 4.44Å; F6-F9 AromaticContact CD1-CE2 3.96Å; F6-F9 HydrophobicContact CD1-CE2 3.96Å; F6-F9 HydrophobicContact CD2-CE2 4.4Å; F6-F9 HydrophobicContact CG-CD2 4.04Å; F6-F9 AromaticContact CG-CE2 3.68Å; F6-F9 HydrophobicContact CG-CE2 3.68Å; F6-F9 PolarHBondContact O-N 3.33Å; R7-F9 VanDerWaalsContact C-N 3.3Å; F9-F11 WeakPolarHBondContact O-CD2 3.31Å; F9-F11 WeakPolarHBondContact O-CE2 3.42Å; F9-F11 PolarHBondContact O-N 2.9Å; F9-I38 HydrophobicContact CD1-CG2 4.21Å; F9-I38 HydrophobicContact CD2-CG2 3.89Å; F9-I38 HydrophobicContact CE1-CG2 4.34Å; F9-I38 HydrophobicContact CE2-CG2 4.06Å; F9-I38 HydrophobicContact CG-CG2 4.03Å; F9-I38 HydrophobicContact CZ-CG2 4.31Å; F9-C81 HydrophobicContact CE1-CB 3.9Å; F9-C81 HydrophobicContact CE2-CB 3.92Å; F9-C81 HydrophobicContact CZ-CB 3.26Å; F9-H82 AromaticContact CE1-CD2 3.88Å; F9-H82 AromaticContact CZ-CD2 3.68Å; F9-Q85 HydrophobicContact CD1-CB 4.48Å; F9-Q85 HydrophobicContact CE1-CB 4.37Å
10A51.9Low59.1Low80 Ų8095.3 Ų95.366%0.66150%0.501SS*.  trans-57.298177.700000110.1E8 R39E8-A10 PolarHBondContact O-N 3.2Å; A10-R39 PolarHBondContact O-NH2 3.45Å
11F57.9Low59.9Low45 Ų4594.2 Ų94.220%0.19750%0.5CS..  trans-66.2132.4165.6-62.8-82.5000106.6M5 F6 F9 V16 Y25 V37M5-F11 HydrophobicContact CG-CE2 4.21Å; F6-F11 WeakPolarHBondContact O-CE2 3.45Å; F9-F11 WeakPolarHBondContact O-CD2 3.31Å; F9-F11 WeakPolarHBondContact O-CE2 3.42Å; F9-F11 PolarHBondContact O-N 2.9Å; F11-V16 HydrophobicContact CD1-CG2 3.47Å; F11-V16 VanDerWaalsContact CD1-CG2 3.47Å; F11-V16 HydrophobicContact CE1-CG1 4.17Å; F11-V16 HydrophobicContact CE1-CG2 3.76Å; F11-V16 HydrophobicContact CG-CG2 3.99Å; F11-V16 HydrophobicContact CZ-CG2 4.47Å; F11-Y25 AromaticContact CD1-CD1 3.8Å; F11-Y25 HydrophobicContact CD1-CD1 3.8Å; F11-Y25 AromaticContact CD1-CE1 3.26Å; F11-Y25 HydrophobicContact CD1-CE1 3.26Å; F11-Y25 HydrophobicContact CD1-CE2 4.31Å; F11-Y25 AromaticContact CD1-CZ 3.56Å; F11-Y25 AromaticContact CE1-CD1 3.72Å; F11-Y25 HydrophobicContact CE1-CD1 3.72Å; F11-Y25 AromaticContact CE1-CE1 3.68Å; F11-Y25 HydrophobicContact CE1-CE1 3.68Å; F11-Y25 HydrophobicContact CE1-CG 4.42Å; F11-Y25 HydrophobicContact CG-CE1 4.36Å; F11-V37 HydrophobicContact CE1-CB 4.25Å; F11-V37 HydrophobicContact CE1-CG1 3.97Å; F11-V37 HydrophobicContact CZ-CB 4.1Å; F11-V37 HydrophobicContact CZ-CG1 4.34Å; F11-V37 WeakPolarHBondContact CZ-O 3.42Å
12D59.9Low61.9Low95 Ų9592 Ų9251%0.50849%0.492SS..  trans-56.2149.7160.6-71.4-28.7000107.2G14 Y25 R39D12-G14 PolarHBondContact O-N 3.46Å; D12-Y25 PolarHBondContact N-OH 2.69Å; D12-R39 IonicContact OD1-CZ 2.79Å; D12-R39 IonicContact OD1-NH1 3.63Å; D12-R39 IonicContact OD1-NH2 3.26Å; D12-R39 PolarHBondContact OD1-NH2 2.96Å; D12-R39 IonicContact OD2-CZ 3.73Å; D12-R39 IonicContact OD2-NH1 3.89Å; D12-R39 PolarHBondContact OD2-NH1 3.13Å; D12-R39 IonicContact OD2-NH2 2.73Å; D12-R39 PolarHBondContact OD2-NH2 3.33Å
13E58.6Low64.1Low205 Ų20585.1 Ų85.196%0.95846%0.456SS*.SBendtrans-56.514.7-177.3-67.3-74.9165.200115.4
14G64.5Low66.1Low40 Ų4083 Ų8341%0.41245%0.449SS..SBendtrans-94.8169.5174.900000114.3D12 V16D12-G14 PolarHBondContact O-N 3.46Å; G14-V16 PolarHBondContact O-N 3.41Å
15P69.1Low68.1Low106 Ų10678 Ų7869%0.68843%0.427SS*.  trans-64.4137.3178.727.4-33.9000111.2V17P15-V17 HydrophobicContact CB-CG2 4.03Å; P15-V17 HydrophobicContact CG-CG2 4.08Å; P15-V17 PolarHBondContact O-N 3.35Å
16V77.8Confident70.1Confident50 Ų5073.1 Ų73.130%0.30340%0.403SS..  trans-73.693.7171-179.70000108.7M5 F11 G14 Y25 V37M5-V16 HydrophobicContact CE-CB 4.13Å; M5-V16 HydrophobicContact CE-CG1 4.48Å; M5-V16 HydrophobicContact CE-CG2 3.8Å; F11-V16 HydrophobicContact CD1-CG2 3.47Å; F11-V16 VanDerWaalsContact CD1-CG2 3.47Å; F11-V16 HydrophobicContact CE1-CG1 4.17Å; F11-V16 HydrophobicContact CE1-CG2 3.76Å; F11-V16 HydrophobicContact CG-CG2 3.99Å; F11-V16 HydrophobicContact CZ-CG2 4.47Å; G14-V16 PolarHBondContact O-N 3.41Å; V16-Y25 HydrophobicContact CB-CD2 4.47Å; V16-Y25 HydrophobicContact CG1-CD2 4.2Å; V16-Y25 HydrophobicContact CG1-CG 4.26Å; V16-V37 HydrophobicContact CG1-CB 4.42Å; V16-V37 HydrophobicContact CG1-CG1 3.55Å
17V79.2Confident72Confident61 Ų6174.4 Ų74.437%0.3741%0.409SS..  trans-105.7122.2177.6-177.40000109P15 P24 Y25P15-V17 HydrophobicContact CB-CG2 4.03Å; P15-V17 HydrophobicContact CG-CG2 4.08Å; P15-V17 PolarHBondContact O-N 3.35Å; V17-P24 WeakPolarHBondContact O-CD 3.18Å; V17-Y25 PolarHBondContact O-N 3.38Å
18C80.4Confident74.2Confident19 Ų1963.6 Ų63.613%0.12837%0.368CS..  trans-1103.7174.2-59.20000112.1A23 T64 N65C18-A23 VanDerWaalsContact C-CB 3.43Å; C18-T64 CarbonylContact O-C 3.54Å; C18-T64 VanDerWaalsContact O-C 3.25Å; C18-N65 VanDerWaalsContact O-CB 3.26Å; C18-N65 WeakPolarHBondContact O-CB 3.38Å; C18-N65 PolarHBondContact O-ND2 3.13Å
19L81.1Confident76.4Confident128 Ų12857.6 Ų57.667%0.6734%0.34SS*.  trans-95.5136.2-174.2-70.1170.1000111.7E63L19-E63 WeakPolarHBondContact CA-O 3.21Å; L19-E63 VanDerWaalsContact CD2-O 3.27Å; L19-E63 WeakPolarHBondContact CD2-O 3.48Å
20G76.6Confident78.5Confident20 Ų2057.4 Ų57.421%0.20634%0.34CS..SBendtrans87.9161.1176.300000114.6D22 A23 N62 E63 N65G20-D22 PolarHBondContact O-N 2.95Å; G20-D22 VanDerWaalsContact O-N 3.09Å; G20-A23 WeakPolarHBondContact O-CB 3.09Å; G20-A23 PolarHBondContact O-N 3.21Å; G20-A23 VanDerWaalsContact O-N 3.08Å; G20-N62 CarbonylContact C-O 3.51Å; G20-E63 PolarHBondContact N-O 3.14Å; G20-N65 PolarHBondContact O-ND2 2.84Å
21P76.7Confident80.7Confident74 Ų7456 Ų5648%0.48133%0.325SS..THydrogen-bonded Turntrans-60.7-27.8-169.824.5-35000114.3
22D81.4Confident82.5Confident149 Ų14957 Ų5780%0.79733%0.333SS*.THydrogen-bonded Turntrans-101.816.3-176.9-55.2-51.4000113G20G20-D22 PolarHBondContact O-N 2.95Å; G20-D22 VanDerWaalsContact O-N 3.09Å
23A86.6Confident84.1Confident3 Ų357.9 Ų57.93%0.02534%0.337CS..  trans-57.9129.9179.200000110.8C18 G20 Y25 R40 N65C18-A23 VanDerWaalsContact C-CB 3.43Å; G20-A23 WeakPolarHBondContact O-CB 3.09Å; G20-A23 PolarHBondContact O-N 3.21Å; G20-A23 VanDerWaalsContact O-N 3.08Å; A23-Y25 PolarHBondContact O-N 2.84Å; A23-R40 WeakPolarHBondContact O-CD 3.32Å; A23-N65 VanDerWaalsContact CB-ND2 3.28Å; A23-N65 WeakPolarHBondContact CB-ND2 3.2Å
24P89.7Confident85.8Confident71 Ų7150.5 Ų50.546%0.46130%0.303SS..SBendtrans-68-17.6-177.824.4-31.8000112.7V17 R39 R40V17-P24 WeakPolarHBondContact O-CD 3.18Å; P24-R39 WeakPolarHBondContact O-CA 3.2Å; P24-R40 PolarHBondContact O-N 2.8Å
25Y91.2Very high87.2Confident9 Ų949.3 Ų49.34%0.03529%0.286CS..EExtended strand (participates in β ladder)trans-124.2154.2-179-58.7-78.5000111.8F11 D12 V16 V17 A23 V37 I38 R39F11-Y25 AromaticContact CD1-CD1 3.8Å; F11-Y25 HydrophobicContact CD1-CD1 3.8Å; F11-Y25 AromaticContact CD1-CE1 3.26Å; F11-Y25 HydrophobicContact CD1-CE1 3.26Å; F11-Y25 HydrophobicContact CD1-CE2 4.31Å; F11-Y25 AromaticContact CD1-CZ 3.56Å; F11-Y25 AromaticContact CE1-CD1 3.72Å; F11-Y25 HydrophobicContact CE1-CD1 3.72Å; F11-Y25 AromaticContact CE1-CE1 3.68Å; F11-Y25 HydrophobicContact CE1-CE1 3.68Å; F11-Y25 HydrophobicContact CE1-CG 4.42Å; F11-Y25 HydrophobicContact CG-CE1 4.36Å; D12-Y25 PolarHBondContact N-OH 2.69Å; V16-Y25 HydrophobicContact CB-CD2 4.47Å; V16-Y25 HydrophobicContact CG1-CD2 4.2Å; V16-Y25 HydrophobicContact CG1-CG 4.26Å; V17-Y25 PolarHBondContact O-N 3.38Å; A23-Y25 PolarHBondContact O-N 2.84Å; Y25-V37 HydrophobicContact CD1-CG1 4.4Å; Y25-V37 HydrophobicContact CG-CG1 4.25Å; Y25-I38 WeakPolarHBondContact CA-O 3.35Å; Y25-R39 HydrophobicContact CD1-CG 4.19Å; Y25-R39 HydrophobicContact CE1-CG 3.76Å
26V91.2Very high88.3Confident0 Ų044.3 Ų44.30%025%0.254CS..EExtended strand (participates in β ladder)trans-124.7150.4172.4-53.10000108.7L28 V37 I38 R40 A43 L53 N65V26-L28 HydrophobicContact CG2-CD2 4.15Å; V26-V37 WeakPolarHBondContact O-CA 3.15Å; V26-I38 HydrophobicContact CG2-CG1 3.82Å; V26-I38 PolarHBondContact N-O 3.08Å; V26-I38 PolarHBondContact O-N 2.83Å; V26-I38 VanDerWaalsContact O-N 3.1Å; V26-R40 HydrophobicContact CG1-CB 3.98Å; V26-R40 HydrophobicContact CG1-CG 3.95Å; V26-A43 HydrophobicContact CG2-CB 3.37Å; V26-L53 HydrophobicContact CB-CD1 4.3Å; V26-L53 HydrophobicContact CG1-CD1 3.67Å; V26-N65 WeakPolarHBondContact CA-O 3.45Å; V26-N65 HydrophobicContact CB-CB 4.39Å; V26-N65 HydrophobicContact CG1-CB 4.18Å
27K91.9Very high89Confident43 Ų4342.5 Ų42.519%0.18724%0.243CC..EExtended strand (participates in β ladder)trans-105.5118.6175.7-178.1-175-65.6-1610109.6V29 E35 F36 V37 N65 I66 V67K27-V29 HydrophobicContact CD-CG2 4.09Å; K27-V29 HydrophobicContact CG-CG2 4.05Å; K27-E35 HydrophobicContact CD-CB 4.22Å; K27-E35 HydrophobicContact CD-CG 4.12Å; K27-E35 WeakPolarHBondContact CE-OE2 3.48Å; K27-E35 HydrophobicContact CG-CB 4.25Å; K27-E35 VanDerWaalsContact NZ-CD 3.31Å; K27-E35 IonicContact NZ-OE1 3.3Å; K27-E35 PolarHBondContact NZ-OE1 2.95Å; K27-E35 IonicContact NZ-OE2 2.74Å; K27-E35 PolarHBondContact NZ-OE2 3.04Å; K27-F36 CarbonylContact C-O 3.47Å; K27-F36 WeakPolarHBondContact CA-O 3.46Å; K27-V37 HydrophobicContact CB-CG2 4.48Å; K27-V37 HydrophobicContact CG-CG2 4.42Å; K27-N65 PolarHBondContact N-O 3.11Å; K27-I66 HydrophobicContact CB-CG1 4.16Å; K27-I66 HydrophobicContact CB-CG2 4.47Å; K27-I66 HydrophobicContact CD-CD1 4.26Å; K27-I66 HydrophobicContact CD-CG1 4.24Å; K27-I66 HydrophobicContact CD-CG2 4.3Å; K27-I66 HydrophobicContact CG-CG2 4.45Å; K27-I66 CarbonylContact O-C 3.53Å; K27-I66 VanDerWaalsContact O-CA 3.28Å; K27-I66 WeakPolarHBondContact O-CA 3.46Å; K27-V67 PolarHBondContact O-N 2.84Å
28L93.7Very high89.6Confident0 Ų039.7 Ų39.70%023%0.226CC..EExtended strand (participates in β ladder)trans-95.7131.9169.1-48.2-174.4000108.8V26 E35 F36 I38 I49 V67 F69 L77V26-L28 HydrophobicContact CG2-CD2 4.15Å; L28-E35 CarbonylContact O-C 3.31Å; L28-E35 WeakPolarHBondContact O-CA 3.23Å; L28-F36 HydrophobicContact CB-CB 4.26Å; L28-F36 PolarHBondContact N-O 2.71Å; L28-F36 PolarHBondContact O-N 2.69Å; L28-I38 HydrophobicContact CD1-CD1 3.81Å; L28-I38 HydrophobicContact CD1-CG1 4.35Å; L28-I38 HydrophobicContact CG-CD1 4.41Å; L28-I38 HydrophobicContact CG-CG1 4.47Å; L28-I49 HydrophobicContact CD1-CD1 4.04Å; L28-I49 HydrophobicContact CD2-CD1 4.13Å; L28-V67 CarbonylContact C-O 3.25Å; L28-V67 WeakPolarHBondContact CA-O 3.5Å; L28-V67 HydrophobicContact CD2-CB 3.85Å; L28-V67 HydrophobicContact CD2-CG2 4.26Å; L28-F69 HydrophobicContact CB-CE2 4.05Å; L28-F69 HydrophobicContact CD1-CE2 4.3Å; L28-F69 HydrophobicContact CD2-CE2 4.22Å; L28-F69 HydrophobicContact CG-CE2 4.42Å; L28-L77 HydrophobicContact CB-CD1 4.46Å; L28-L77 HydrophobicContact CB-CD2 4.07Å; L28-L77 HydrophobicContact CD1-CD1 4.16Å
29V94.2Very high90.2Very high3 Ų341.4 Ų41.42%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-118.4122179.8-1720000109K27 H34 E35 I66 V67 R68 F69K27-V29 HydrophobicContact CD-CG2 4.09Å; K27-V29 HydrophobicContact CG-CG2 4.05Å; V29-H34 WeakPolarHBondContact CA-O 3.36Å; V29-E35 HydrophobicContact CG2-CG 4.36Å; V29-I66 HydrophobicContact CG2-CG2 3.69Å; V29-V67 PolarHBondContact N-O 3.42Å; V29-R68 HydrophobicContact CB-CG 4.15Å; V29-R68 HydrophobicContact CG2-CG 4.32Å; V29-F69 PolarHBondContact O-N 3.37Å
30S96Very high90.7Very high4 Ų437.6 Ų37.63%0.02821%0.206CC..  trans-74.6171.3177.3630000112.8D32 N33 H34 F69 I72S30-D32 WeakPolarHBondContact CB-OD1 3.39Å; S30-D32 PolarHBondContact O-N 2.95Å; S30-D32 PolarHBondContact OG-OD1 3.5Å; S30-N33 PolarHBondContact O-N 3.02Å; S30-H34 PolarHBondContact N-O 3.23Å; S30-H34 WeakPolarHBondContact OG-CB 3.41Å; S30-H34 PolarHBondContact OG-N 2.8Å; S30-H34 PolarHBondContact OG-O 3.38Å; S30-F69 CarbonylContact C-O 3.6Å; S30-F69 VanDerWaalsContact C-O 3.31Å; S30-I72 CarbonylContact C-O 3.57Å; S30-I72 WeakPolarHBondContact CA-O 3.31Å; S30-I72 VanDerWaalsContact CB-O 3.32Å; S30-I72 WeakPolarHBondContact CB-O 3.31Å
31S96.6Very high91.5Very high51 Ų5140.7 Ų40.736%0.35722%0.216SC..THydrogen-bonded Turntrans-63.7-28.3178.762.60000113.3N33 F69 R70 I72 P73S31-N33 VanDerWaalsContact C-N 3.34Å; S31-F69 VanDerWaalsContact CA-O 3.26Å; S31-F69 WeakPolarHBondContact CA-O 3.42Å; S31-F69 PolarHBondContact N-O 2.93Å; S31-R70 WeakPolarHBondContact CB-O 3.45Å; S31-I72 PolarHBondContact N-O 3.25Å; S31-I72 PolarHBondContact OG-O 3.42Å; S31-P73 VanDerWaalsContact OG-CA 3.28Å; S31-P73 WeakPolarHBondContact OG-CA 3.32Å
32D96.5Very high92.4Very high66 Ų6637.2 Ų37.235%0.35319%0.193SC..THydrogen-bonded Turntrans-95.118.9174.365.7-31.7000113.1S30 H34 S74S30-D32 WeakPolarHBondContact CB-OD1 3.39Å; S30-D32 PolarHBondContact O-N 2.95Å; S30-D32 PolarHBondContact OG-OD1 3.5Å; D32-H34 VanDerWaalsContact C-N 3.33Å; D32-H34 PolarHBondContact O-N 3.28Å; D32-H34 IonicContact OD1-ND1 3.2Å; D32-H34 IonicContact OD2-CE1 3.9Å; D32-H34 PolarHBondContact OD2-CE1 3.27Å; D32-H34 VanDerWaalsContact OD2-CE1 3.31Å; D32-H34 IonicContact OD2-ND1 2.77Å; D32-H34 PolarHBondContact OD2-ND1 2.88Å; D32-S74 WeakPolarHBondContact OD1-CB 3.35Å; D32-S74 PolarHBondContact OD1-N 3.14Å; D32-S74 PolarHBondContact OD1-OG 3.14Å; D32-S74 VanDerWaalsContact OD2-CB 3.23Å; D32-S74 WeakPolarHBondContact OD2-CB 3.23Å; D32-S74 PolarHBondContact OD2-OG 2.93Å
33N93.9Very high93Very high114 Ų11430.1 Ų30.161%0.6116%0.155SC*.  trans6523.3172.2-55-75.7000116S30 S31S30-N33 PolarHBondContact O-N 3.02Å; S31-N33 VanDerWaalsContact C-N 3.34Å
34H94.1Very high93.3Very high49 Ų4931.5 Ų31.523%0.22716%0.161CC..  trans-75.9135.7166.3-72.981.3000109.8V29 S30 D32 F36 S74V29-H34 WeakPolarHBondContact CA-O 3.36Å; S30-H34 PolarHBondContact N-O 3.23Å; S30-H34 WeakPolarHBondContact OG-CB 3.41Å; S30-H34 PolarHBondContact OG-N 2.8Å; S30-H34 PolarHBondContact OG-O 3.38Å; D32-H34 VanDerWaalsContact C-N 3.33Å; D32-H34 PolarHBondContact O-N 3.28Å; D32-H34 IonicContact OD1-ND1 3.2Å; D32-H34 IonicContact OD2-CE1 3.9Å; D32-H34 PolarHBondContact OD2-CE1 3.27Å; D32-H34 VanDerWaalsContact OD2-CE1 3.31Å; D32-H34 IonicContact OD2-ND1 2.77Å; D32-H34 PolarHBondContact OD2-ND1 2.88Å; H34-F36 HydrophobicContact CB-CD2 4.49Å; H34-F36 HydrophobicContact CB-CE2 3.67Å; H34-F36 HydrophobicContact CB-CZ 4.16Å; H34-S74 VanDerWaalsContact CG-CB 3.49Å; H34-S74 WeakPolarHBondContact ND1-CB 3.2Å; H34-S74 PolarHBondContact ND1-OG 3.47Å
35E93.7Very high93.5Very high15 Ų1529.6 Ų29.67%0.0715%0.148CC..EExtended strand (participates in β ladder)trans-101.2127.9178.2-56-168.8156.800110M1 K27 L28 V29M1-E35 WeakPolarHBondContact CE-OE1 3.43Å; K27-E35 HydrophobicContact CD-CB 4.22Å; K27-E35 HydrophobicContact CD-CG 4.12Å; K27-E35 WeakPolarHBondContact CE-OE2 3.48Å; K27-E35 HydrophobicContact CG-CB 4.25Å; K27-E35 VanDerWaalsContact NZ-CD 3.31Å; K27-E35 IonicContact NZ-OE1 3.3Å; K27-E35 PolarHBondContact NZ-OE1 2.95Å; K27-E35 IonicContact NZ-OE2 2.74Å; K27-E35 PolarHBondContact NZ-OE2 3.04Å; L28-E35 CarbonylContact O-C 3.31Å; L28-E35 WeakPolarHBondContact O-CA 3.23Å; V29-E35 HydrophobicContact CG2-CG 4.36Å
36F92.6Very high93.8Very high1 Ų129.1 Ų29.10%0.00415%0.146CC..EExtended strand (participates in β ladder)trans-116.8122.7175.6-58.7-103.6000107.5F6 K27 L28 H34 S74 L77 Q78F6-F36 AromaticContact CD2-CD1 3.45Å; F6-F36 HydrophobicContact CD2-CD1 3.45Å; F6-F36 VanDerWaalsContact CD2-CD1 3.45Å; F6-F36 AromaticContact CD2-CE1 3.87Å; F6-F36 HydrophobicContact CD2-CE1 3.87Å; F6-F36 HydrophobicContact CD2-CG 4.23Å; F6-F36 HydrophobicContact CE1-CE1 4.21Å; F6-F36 AromaticContact CE2-CD1 3.07Å; F6-F36 HydrophobicContact CE2-CD1 3.07Å; F6-F36 AromaticContact CE2-CE1 2.98Å; F6-F36 HydrophobicContact CE2-CE1 2.98Å; F6-F36 AromaticContact CE2-CG 3.99Å; F6-F36 HydrophobicContact CE2-CG 3.99Å; F6-F36 AromaticContact CE2-CZ 3.84Å; F6-F36 HydrophobicContact CE2-CZ 3.84Å; F6-F36 HydrophobicContact CG-CD1 4.34Å; F6-F36 AromaticContact CZ-CD1 3.7Å; F6-F36 HydrophobicContact CZ-CD1 3.7Å; F6-F36 AromaticContact CZ-CE1 3.2Å; F6-F36 HydrophobicContact CZ-CE1 3.2Å; F6-F36 HydrophobicContact CZ-CZ 4.09Å; K27-F36 CarbonylContact C-O 3.47Å; K27-F36 WeakPolarHBondContact CA-O 3.46Å; L28-F36 HydrophobicContact CB-CB 4.26Å; L28-F36 PolarHBondContact N-O 2.71Å; L28-F36 PolarHBondContact O-N 2.69Å; H34-F36 HydrophobicContact CB-CD2 4.49Å; H34-F36 HydrophobicContact CB-CE2 3.67Å; H34-F36 HydrophobicContact CB-CZ 4.16Å; F36-S74 VanDerWaalsContact CZ-O 3.31Å; F36-S74 WeakPolarHBondContact CZ-O 3.17Å; F36-L77 HydrophobicContact CD2-CB 4.45Å; F36-L77 HydrophobicContact CD2-CD2 3.5Å; F36-L77 HydrophobicContact CD2-CG 3.85Å; F36-L77 HydrophobicContact CE2-CB 4.03Å; F36-L77 HydrophobicContact CE2-CD2 3.7Å; F36-L77 HydrophobicContact CE2-CG 3.94Å; F36-L77 HydrophobicContact CG-CD2 4.35Å; F36-L77 HydrophobicContact CG-CG 4.33Å; F36-L77 HydrophobicContact CZ-CB 4.25Å; F36-L77 HydrophobicContact CZ-CG 4.47Å; F36-Q78 VanDerWaalsContact CE1-CA 3.44Å; F36-Q78 HydrophobicContact CE1-CB 3.58Å; F36-Q78 HydrophobicContact CE1-CG 4.14Å; F36-Q78 HydrophobicContact CZ-CB 4.11Å
37V92.5Very high93.9Very high13 Ų1330.1 Ų30.18%0.07916%0.156CC..EExtended strand (participates in β ladder)trans-107.7121.5176-172.90000108.4F11 V16 Y25 V26 K27F11-V37 HydrophobicContact CE1-CB 4.25Å; F11-V37 HydrophobicContact CE1-CG1 3.97Å; F11-V37 HydrophobicContact CZ-CB 4.1Å; F11-V37 HydrophobicContact CZ-CG1 4.34Å; F11-V37 WeakPolarHBondContact CZ-O 3.42Å; V16-V37 HydrophobicContact CG1-CB 4.42Å; V16-V37 HydrophobicContact CG1-CG1 3.55Å; Y25-V37 HydrophobicContact CD1-CG1 4.4Å; Y25-V37 HydrophobicContact CG-CG1 4.25Å; V26-V37 WeakPolarHBondContact O-CA 3.15Å; K27-V37 HydrophobicContact CB-CG2 4.48Å; K27-V37 HydrophobicContact CG-CG2 4.42Å
38I92Very high94Very high1 Ų129.7 Ų29.71%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-130.6160.6-179.762.6169.1000110F9 Y25 V26 L28 V42 A43 C81 L84F9-I38 HydrophobicContact CD1-CG2 4.21Å; F9-I38 HydrophobicContact CD2-CG2 3.89Å; F9-I38 HydrophobicContact CE1-CG2 4.34Å; F9-I38 HydrophobicContact CE2-CG2 4.06Å; F9-I38 HydrophobicContact CG-CG2 4.03Å; F9-I38 HydrophobicContact CZ-CG2 4.31Å; Y25-I38 WeakPolarHBondContact CA-O 3.35Å; V26-I38 HydrophobicContact CG2-CG1 3.82Å; V26-I38 PolarHBondContact N-O 3.08Å; V26-I38 PolarHBondContact O-N 2.83Å; V26-I38 VanDerWaalsContact O-N 3.1Å; L28-I38 HydrophobicContact CD1-CD1 3.81Å; L28-I38 HydrophobicContact CD1-CG1 4.35Å; L28-I38 HydrophobicContact CG-CD1 4.41Å; L28-I38 HydrophobicContact CG-CG1 4.47Å; I38-V42 HydrophobicContact CD1-CG1 4.45Å; I38-A43 HydrophobicContact CD1-CB 3.6Å; I38-A43 HydrophobicContact CG1-CB 4Å; I38-C81 HydrophobicContact CG2-CB 4.17Å; I38-L84 HydrophobicContact CD1-CD1 4.18Å
39R92Very high94Very high56 Ų5629.7 Ų29.721%0.21116%0.157CC..EExtended strand (participates in β ladder)trans-60.6141.1175.3-64-174.9-178.5-125.7-3.3110.4A10 D12 P24 Y25 E41 V42 A43A10-R39 PolarHBondContact O-NH2 3.45Å; D12-R39 IonicContact OD1-CZ 2.79Å; D12-R39 IonicContact OD1-NH1 3.63Å; D12-R39 IonicContact OD1-NH2 3.26Å; D12-R39 PolarHBondContact OD1-NH2 2.96Å; D12-R39 IonicContact OD2-CZ 3.73Å; D12-R39 IonicContact OD2-NH1 3.89Å; D12-R39 PolarHBondContact OD2-NH1 3.13Å; D12-R39 IonicContact OD2-NH2 2.73Å; D12-R39 PolarHBondContact OD2-NH2 3.33Å; P24-R39 WeakPolarHBondContact O-CA 3.2Å; Y25-R39 HydrophobicContact CD1-CG 4.19Å; Y25-R39 HydrophobicContact CE1-CG 3.76Å; R39-E41 VanDerWaalsContact C-N 3.3Å; R39-E41 HydrophobicContact CB-CG 3.91Å; R39-E41 VanDerWaalsContact CD-OE1 3.23Å; R39-E41 WeakPolarHBondContact CD-OE1 3.29Å; R39-E41 IonicContact NH1-OE1 2.91Å; R39-E41 PolarHBondContact O-N 3.28Å; R39-V42 HydrophobicContact CB-CB 4.32Å; R39-V42 HydrophobicContact CB-CG2 4.04Å; R39-V42 PolarHBondContact O-N 2.96Å; R39-V42 VanDerWaalsContact O-N 3.13Å; R39-A43 PolarHBondContact O-N 3.46Å
40R92.1Very high93.9Very high48 Ų4835.7 Ų35.718%0.18118%0.179CC..Hα-helixtrans-54.4-48.3176.7-172.8179.2-175.782.4-0.3110.8A23 P24 V26 V42 A43 M44 L53 N65A23-R40 WeakPolarHBondContact O-CD 3.32Å; P24-R40 PolarHBondContact O-N 2.8Å; V26-R40 HydrophobicContact CG1-CB 3.98Å; V26-R40 HydrophobicContact CG1-CG 3.95Å; R40-V42 VanDerWaalsContact C-N 3.27Å; R40-V42 PolarHBondContact O-N 2.87Å; R40-A43 WeakPolarHBondContact O-CB 3.36Å; R40-A43 PolarHBondContact O-N 2.78Å; R40-A43 VanDerWaalsContact O-N 3.11Å; R40-M44 HydrophobicContact CG-CE 3.62Å; R40-M44 HydrophobicContact CG-CG 4.36Å; R40-M44 WeakPolarHBondContact O-CG 3.43Å; R40-M44 PolarHBondContact O-N 3.49Å; R40-L53 PolarHBondContact NH2-O 3.3Å; R40-N65 PolarHBondContact NH1-OD1 3.45Å
41E93Very high93.6Very high85 Ų8538.4 Ų38.440%0.39720%0.202SC..Hα-helixtrans-56.6-36.6178.761.3-174.8167.200114R39 Y88R39-E41 VanDerWaalsContact C-N 3.3Å; R39-E41 HydrophobicContact CB-CG 3.91Å; R39-E41 VanDerWaalsContact CD-OE1 3.23Å; R39-E41 WeakPolarHBondContact CD-OE1 3.29Å; R39-E41 IonicContact NH1-OE1 2.91Å; R39-E41 PolarHBondContact O-N 3.28Å; E41-Y88 HydrophobicContact CB-CE2 3.99Å; E41-Y88 HydrophobicContact CG-CE1 4.35Å; E41-Y88 HydrophobicContact CG-CE2 4.05Å; E41-Y88 PolarHBondContact OE2-OH 2.92Å
42V94.6Very high93.2Very high0 Ų039.8 Ų39.80%020%0.204CC..Hα-helixtrans-72.9-44176.5174.80000110.3I38 R39 R40 M44 V45 L84 Q85 Y88I38-V42 HydrophobicContact CD1-CG1 4.45Å; R39-V42 HydrophobicContact CB-CB 4.32Å; R39-V42 HydrophobicContact CB-CG2 4.04Å; R39-V42 PolarHBondContact O-N 2.96Å; R39-V42 VanDerWaalsContact O-N 3.13Å; R40-V42 VanDerWaalsContact C-N 3.27Å; R40-V42 PolarHBondContact O-N 2.87Å; V42-M44 PolarHBondContact O-N 3.15Å; V42-V45 VanDerWaalsContact O-CB 3.29Å; V42-V45 WeakPolarHBondContact O-CB 3.39Å; V42-V45 WeakPolarHBondContact O-CG2 3.47Å; V42-V45 PolarHBondContact O-N 2.71Å; V42-V45 VanDerWaalsContact O-N 3.11Å; V42-L84 HydrophobicContact CG1-CB 3.75Å; V42-Q85 HydrophobicContact CG1-CB 4.25Å; V42-Y88 HydrophobicContact CG2-CD1 3.84Å; V42-Y88 HydrophobicContact CG2-CD2 4.49Å; V42-Y88 HydrophobicContact CG2-CE1 4.44Å; V42-Y88 HydrophobicContact CG2-CG 3.89Å
43A94.2Very high92.7Very high0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-60.4-35177.400000112.6V26 I38 R39 R40 V45 A46 I49V26-A43 HydrophobicContact CG2-CB 3.37Å; I38-A43 HydrophobicContact CD1-CB 3.6Å; I38-A43 HydrophobicContact CG1-CB 4Å; R39-A43 PolarHBondContact O-N 3.46Å; R40-A43 WeakPolarHBondContact O-CB 3.36Å; R40-A43 PolarHBondContact O-N 2.78Å; R40-A43 VanDerWaalsContact O-N 3.11Å; A43-V45 PolarHBondContact O-N 2.83Å; A43-A46 PolarHBondContact O-N 3.4Å; A43-I49 HydrophobicContact CB-CG2 4.02Å
44M93.3Very high92.3Very high33 Ų3335 Ų3516%0.16318%0.184CC..THydrogen-bonded Turntrans-66.8-12.3178.6-67.5-59.8171.200113.3R40 V42 A46 R50 L53R40-M44 HydrophobicContact CG-CE 3.62Å; R40-M44 HydrophobicContact CG-CG 4.36Å; R40-M44 WeakPolarHBondContact O-CG 3.43Å; R40-M44 PolarHBondContact O-N 3.49Å; V42-M44 PolarHBondContact O-N 3.15Å; M44-A46 PolarHBondContact O-N 3.27Å; M44-R50 PolarHBondContact O-NE 3.32Å; M44-R50 PolarHBondContact O-NH2 3.09Å; M44-R50 HydrophobicContact SD-CB 3.84Å; M44-R50 HydrophobicContact SD-CG 3.67Å; M44-L53 HydrophobicContact CE-CB 3.69Å; M44-L53 HydrophobicContact CE-CD1 3.69Å; M44-L53 HydrophobicContact CE-CG 4.38Å; M44-L53 HydrophobicContact SD-CD1 4.45Å
45V95.2Very high91.2Very high30 Ų3033.8 Ų33.818%0.18219%0.185CC..THydrogen-bonded Turntrans-58-40.1171.9172.90000110.8V42 A43 L84 N87 Y88V42-V45 VanDerWaalsContact O-CB 3.29Å; V42-V45 WeakPolarHBondContact O-CB 3.39Å; V42-V45 WeakPolarHBondContact O-CG2 3.47Å; V42-V45 PolarHBondContact O-N 2.71Å; V42-V45 VanDerWaalsContact O-N 3.11Å; A43-V45 PolarHBondContact O-N 2.83Å; V45-L84 HydrophobicContact CB-CD2 4.01Å; V45-L84 HydrophobicContact CG1-CD2 3.98Å; V45-N87 HydrophobicContact CG1-CB 4.1Å; V45-Y88 HydrophobicContact CG2-CD2 4.16Å
46A95.9Very high89.7Confident0 Ų040 Ų400%023%0.227CC..SBendtrans-75.9122.6176.400000111.8A43 M44 T48 I49 R50 L84 L117 C119A43-A46 PolarHBondContact O-N 3.4Å; M44-A46 PolarHBondContact O-N 3.27Å; A46-T48 VanDerWaalsContact C-N 3.33Å; A46-T48 PolarHBondContact O-N 2.84Å; A46-I49 HydrophobicContact CB-CB 4.01Å; A46-I49 HydrophobicContact CB-CD1 3.87Å; A46-I49 HydrophobicContact CB-CG1 3.91Å; A46-I49 PolarHBondContact O-N 2.97Å; A46-R50 WeakPolarHBondContact O-CB 3.36Å; A46-R50 PolarHBondContact O-N 3.19Å; A46-L84 HydrophobicContact CB-CD1 4.42Å; A46-L84 HydrophobicContact CB-CD2 3.92Å; A46-L117 CarbonylContact C-O 3.6Å; A46-L117 HydrophobicContact CB-CB 4.3Å; A46-L117 WeakPolarHBondContact CB-O 3.47Å; A46-C119 HydrophobicContact CB-CB 4.22Å
47G94.5Very high88.1Confident20 Ų2043.6 Ų43.621%0.20626%0.264CS..Hα-helixtrans-58-43.1-178.700000112.7R50 A51 L117 D118G47-R50 WeakPolarHBondContact O-CB 3.47Å; G47-R50 PolarHBondContact O-N 2.93Å; G47-A51 WeakPolarHBondContact O-CB 3.49Å; G47-A51 PolarHBondContact O-N 3.49Å; G47-L117 PolarHBondContact N-O 3.02Å; G47-L117 VanDerWaalsContact N-O 3.12Å; G47-D118 PolarHBondContact N-O 2.99Å; G47-D118 VanDerWaalsContact N-O 3.14Å
48T93.5Very high86.3Confident34 Ų3444.5 Ų44.521%0.20927%0.267CS..Hα-helixtrans-67.6-42.1-179.9-61.50000112.3A46 R50 A51 M52 F116 L117A46-T48 VanDerWaalsContact C-N 3.33Å; A46-T48 PolarHBondContact O-N 2.84Å; T48-R50 VanDerWaalsContact C-N 3.35Å; T48-A51 PolarHBondContact O-N 3.36Å; T48-M52 HydrophobicContact CG2-CE 3.73Å; T48-M52 HydrophobicContact CG2-SD 4.3Å; T48-M52 WeakPolarHBondContact O-CG 3.32Å; T48-M52 PolarHBondContact O-N 3.31Å; T48-F116 WeakPolarHBondContact CB-O 3.33Å; T48-F116 HydrophobicContact CG2-CE1 4.22Å; T48-F116 HydrophobicContact CG2-CZ 4.2Å; T48-F116 PolarHBondContact OG1-O 3.3Å; T48-L117 PolarHBondContact N-O 3.39Å; T48-L117 VanDerWaalsContact N-O 3.09Å
49I93.3Very high84.3Confident0 Ų053.8 Ų53.80%031%0.308CS..Hα-helixtrans-64.4-43.4176.2-64.2179.5000110.1L28 A43 A46 A51 M52 L53 V67 F69 L84 L117L28-I49 HydrophobicContact CD1-CD1 4.04Å; L28-I49 HydrophobicContact CD2-CD1 4.13Å; A43-I49 HydrophobicContact CB-CG2 4.02Å; A46-I49 HydrophobicContact CB-CB 4.01Å; A46-I49 HydrophobicContact CB-CD1 3.87Å; A46-I49 HydrophobicContact CB-CG1 3.91Å; A46-I49 PolarHBondContact O-N 2.97Å; I49-A51 VanDerWaalsContact C-N 3.32Å; I49-A51 PolarHBondContact O-N 3.37Å; I49-M52 PolarHBondContact O-N 3.37Å; I49-L53 HydrophobicContact CG2-CD1 3.7Å; I49-L53 HydrophobicContact CG2-CG 4.28Å; I49-L53 WeakPolarHBondContact O-CB 3.48Å; I49-L53 WeakPolarHBondContact O-CG 3.31Å; I49-L53 PolarHBondContact O-N 3.12Å; I49-V67 HydrophobicContact CG2-CG2 4.41Å; I49-F69 HydrophobicContact CD1-CZ 3.95Å; I49-F69 HydrophobicContact CG1-CZ 3.91Å; I49-L84 HydrophobicContact CD1-CD1 4.24Å; I49-L117 HydrophobicContact CD1-CD2 4.39Å; I49-L117 HydrophobicContact CG1-CD2 4.13Å
50R92.2Very high82.5Confident129 Ų12954.8 Ų54.849%0.48733%0.328SS..Hα-helixtrans-58.4-44.1175.8-174-171-51.1177.49.4111.7M44 A46 G47 T48 L53 S54M44-R50 PolarHBondContact O-NE 3.32Å; M44-R50 PolarHBondContact O-NH2 3.09Å; M44-R50 HydrophobicContact SD-CB 3.84Å; M44-R50 HydrophobicContact SD-CG 3.67Å; A46-R50 WeakPolarHBondContact O-CB 3.36Å; A46-R50 PolarHBondContact O-N 3.19Å; G47-R50 WeakPolarHBondContact O-CB 3.47Å; G47-R50 PolarHBondContact O-N 2.93Å; T48-R50 VanDerWaalsContact C-N 3.35Å; R50-L53 CarbonylContact O-C 3.52Å; R50-L53 PolarHBondContact O-N 2.94Å; R50-S54 WeakPolarHBondContact O-CB 3.45Å; R50-S54 PolarHBondContact O-N 3.06Å; R50-S54 PolarHBondContact O-OG 3.34Å
51A90Very high80.6Confident62 Ų6259.3 Ų59.351%0.51235%0.351SS..Hα-helixtrans-64.2-43.3177.200000112G47 T48 I49 L53 S54 G55G47-A51 WeakPolarHBondContact O-CB 3.49Å; G47-A51 PolarHBondContact O-N 3.49Å; T48-A51 PolarHBondContact O-N 3.36Å; I49-A51 VanDerWaalsContact C-N 3.32Å; I49-A51 PolarHBondContact O-N 3.37Å; A51-L53 VanDerWaalsContact C-N 3.31Å; A51-L53 PolarHBondContact O-N 2.92Å; A51-S54 PolarHBondContact O-N 2.89Å; A51-G55 WeakPolarHBondContact O-CA 3.36Å; A51-G55 PolarHBondContact O-N 3.32Å
52M88.5Confident78.8Confident80 Ų8056.5 Ų56.539%0.39434%0.339SS..Hα-helixtrans-61.6-39.4175.9-71174.6176.200112.1T48 I49 Q58 V67 F116T48-M52 HydrophobicContact CG2-CE 3.73Å; T48-M52 HydrophobicContact CG2-SD 4.3Å; T48-M52 WeakPolarHBondContact O-CG 3.32Å; T48-M52 PolarHBondContact O-N 3.31Å; I49-M52 PolarHBondContact O-N 3.37Å; M52-Q58 PolarHBondContact O-NE2 3.37Å; M52-V67 HydrophobicContact SD-CG1 3.58Å; M52-V67 VanDerWaalsContact SD-CG1 3.58Å; M52-F116 HydrophobicContact CE-CZ 4.42Å
53L86.7Confident77.3Confident7 Ų762.6 Ų62.64%0.03737%0.368CS..Hα-helixtrans-87.8-9.2-179.3-65.2176.2000114.9V26 R40 M44 I49 R50 A51 Q58 N62 V67V26-L53 HydrophobicContact CB-CD1 4.3Å; V26-L53 HydrophobicContact CG1-CD1 3.67Å; R40-L53 PolarHBondContact NH2-O 3.3Å; M44-L53 HydrophobicContact CE-CB 3.69Å; M44-L53 HydrophobicContact CE-CD1 3.69Å; M44-L53 HydrophobicContact CE-CG 4.38Å; M44-L53 HydrophobicContact SD-CD1 4.45Å; I49-L53 HydrophobicContact CG2-CD1 3.7Å; I49-L53 HydrophobicContact CG2-CG 4.28Å; I49-L53 WeakPolarHBondContact O-CB 3.48Å; I49-L53 WeakPolarHBondContact O-CG 3.31Å; I49-L53 PolarHBondContact O-N 3.12Å; R50-L53 CarbonylContact O-C 3.52Å; R50-L53 PolarHBondContact O-N 2.94Å; A51-L53 VanDerWaalsContact C-N 3.31Å; A51-L53 PolarHBondContact O-N 2.92Å; L53-Q58 PolarHBondContact O-NE2 2.93Å; L53-Q58 PolarHBondContact O-OE1 3.27Å; L53-N62 PolarHBondContact O-OD1 3.01Å; L53-V67 HydrophobicContact CD1-CG2 4.46Å; L53-V67 HydrophobicContact CD2-CG2 3.8Å; L53-V67 HydrophobicContact CG-CG2 4Å
54S83.6Confident76.3Confident72 Ų7265.1 Ų65.150%0.50338%0.383SS..Hα-helixtrans-125.8-6.5178.9-38.80000117.5R50 A51 Q58R50-S54 WeakPolarHBondContact O-CB 3.45Å; R50-S54 PolarHBondContact O-N 3.06Å; R50-S54 PolarHBondContact O-OG 3.34Å; A51-S54 PolarHBondContact O-N 2.89Å; S54-Q58 VanDerWaalsContact C-CD 3.47Å; S54-Q58 VanDerWaalsContact C-OE1 3.25Å
55G72.4Confident76Confident24 Ų2463.5 Ų63.525%0.24738%0.375CS..SBendtrans-66.4159-179.400000117.6A51 Q58A51-G55 WeakPolarHBondContact O-CA 3.36Å; A51-G55 PolarHBondContact O-N 3.32Å; G55-Q58 WeakPolarHBondContact O-CB 3.28Å; G55-Q58 WeakPolarHBondContact O-CG 3.14Å; G55-Q58 PolarHBondContact O-NE2 2.97Å; G55-Q58 PolarHBondContact O-OE1 3.43Å
56P61.5Low75.7Confident145 Ų14564.3 Ų64.394%0.94238%0.378SS*.THydrogen-bonded Turntrans-70.7135.6-18027.3-32.2000112.4
57G60.1Low75.6Confident76 Ų7664.7 Ų64.778%0.78438%0.38SS*.THydrogen-bonded Turntrans116.49.5-17600000114.8F59G57-F59 PolarHBondContact O-N 3.14Å
58Q53.2Low75.5Confident33 Ų3370.8 Ų70.815%0.15440%0.397CS..THydrogen-bonded Turntrans-87.32.5-151.7-107.41796.700118.9M52 L53 S54 G55 A60 E61 N62M52-Q58 PolarHBondContact O-NE2 3.37Å; L53-Q58 PolarHBondContact O-NE2 2.93Å; L53-Q58 PolarHBondContact O-OE1 3.27Å; S54-Q58 VanDerWaalsContact C-CD 3.47Å; S54-Q58 VanDerWaalsContact C-OE1 3.25Å; G55-Q58 WeakPolarHBondContact O-CB 3.28Å; G55-Q58 WeakPolarHBondContact O-CG 3.14Å; G55-Q58 PolarHBondContact O-NE2 2.97Å; G55-Q58 PolarHBondContact O-OE1 3.43Å; Q58-A60 PolarHBondContact O-N 2.79Å; Q58-A60 VanDerWaalsContact O-N 3.16Å; Q58-E61 PolarHBondContact O-N 3.22Å; Q58-N62 HydrophobicContact CB-CB 4.4Å; Q58-N62 WeakPolarHBondContact CB-ND2 3.23Å; Q58-N62 VanDerWaalsContact CD-CG 3.48Å; Q58-N62 VanDerWaalsContact CD-ND2 3.28Å; Q58-N62 WeakPolarHBondContact CG-OD1 3.2Å; Q58-N62 PolarHBondContact NE2-OD1 2.79Å; Q58-N62 WeakPolarHBondContact O-CB 3.26Å; Q58-N62 PolarHBondContact O-N 3.42Å; Q58-N62 PolarHBondContact OE1-ND2 3.26Å; Q58-N62 PolarHBondContact OE1-OD1 3.19Å
59F51.2Low75.6Confident195 Ų19569.6 Ų69.686%0.85539%0.389SS*.THydrogen-bonded Turntrans-63.3-25.4-175.7-71.2-81.6000113.5G57 E63G57-F59 PolarHBondContact O-N 3.14Å; F59-E63 WeakPolarHBondContact O-CG 3.21Å
60A53Low75.7Confident78 Ų7880.7 Ų80.765%0.64543%0.431SS*.THydrogen-bonded Turntrans-93.2-31.2-179.200000114.5Q58Q58-A60 PolarHBondContact O-N 2.79Å; Q58-A60 VanDerWaalsContact O-N 3.16Å
61E52.8Low75.8Confident142 Ų14282.9 Ų82.966%0.66445%0.447SS*.THydrogen-bonded Turntrans-94.5-30.5-178.4-68-172.2153.300112.7Q58 E63 T64 N65Q58-E61 PolarHBondContact O-N 3.22Å; E61-E63 PolarHBondContact O-N 3.11Å; E61-T64 PolarHBondContact O-N 2.93Å; E61-T64 VanDerWaalsContact O-N 3.12Å; E61-T64 PolarHBondContact O-OG1 3.31Å; E61-N65 PolarHBondContact O-N 2.98Å
62N54.9Low76Confident27 Ų2780.5 Ų80.514%0.14443%0.425CS..THydrogen-bonded Turntrans-68.1-17.1175.8-76.94.5000113.8G20 L53 Q58 T64G20-N62 CarbonylContact C-O 3.51Å; L53-N62 PolarHBondContact O-OD1 3.01Å; Q58-N62 HydrophobicContact CB-CB 4.4Å; Q58-N62 WeakPolarHBondContact CB-ND2 3.23Å; Q58-N62 VanDerWaalsContact CD-CG 3.48Å; Q58-N62 VanDerWaalsContact CD-ND2 3.28Å; Q58-N62 WeakPolarHBondContact CG-OD1 3.2Å; Q58-N62 PolarHBondContact NE2-OD1 2.79Å; Q58-N62 WeakPolarHBondContact O-CB 3.26Å; Q58-N62 PolarHBondContact O-N 3.42Å; Q58-N62 PolarHBondContact OE1-ND2 3.26Å; Q58-N62 PolarHBondContact OE1-OD1 3.19Å; N62-T64 PolarHBondContact O-N 3.32Å
63E63.3Low76.4Confident127 Ų12778 Ų7859%0.59342%0.415SS*.THydrogen-bonded Turntrans-66.9-28.1173.8-75-174.2175.800111.5L19 G20 F59 E61L19-E63 WeakPolarHBondContact CA-O 3.21Å; L19-E63 VanDerWaalsContact CD2-O 3.27Å; L19-E63 WeakPolarHBondContact CD2-O 3.48Å; G20-E63 PolarHBondContact N-O 3.14Å; F59-E63 WeakPolarHBondContact O-CG 3.21Å; E61-E63 PolarHBondContact O-N 3.11Å
64T73Confident76.8Confident53 Ų5378.7 Ų78.733%0.32542%0.42SS..THydrogen-bonded Turntrans-104.1-23-172.370.30000114.5C18 E61 N62 I66C18-T64 CarbonylContact O-C 3.54Å; C18-T64 VanDerWaalsContact O-C 3.25Å; E61-T64 PolarHBondContact O-N 2.93Å; E61-T64 VanDerWaalsContact O-N 3.12Å; E61-T64 PolarHBondContact O-OG1 3.31Å; N62-T64 PolarHBondContact O-N 3.32Å; T64-I66 VanDerWaalsContact O-CG1 3.29Å; T64-I66 WeakPolarHBondContact O-CG1 3.36Å; T64-I66 PolarHBondContact O-N 3.37Å
65N86.9Confident77.3Confident0 Ų078.6 Ų78.60%041%0.412CS..THydrogen-bonded Turntrans45.739.9-170.1-59.5-75.8000113.2C18 G20 A23 V26 K27 R40 E61C18-N65 VanDerWaalsContact O-CB 3.26Å; C18-N65 WeakPolarHBondContact O-CB 3.38Å; C18-N65 PolarHBondContact O-ND2 3.13Å; G20-N65 PolarHBondContact O-ND2 2.84Å; A23-N65 VanDerWaalsContact CB-ND2 3.28Å; A23-N65 WeakPolarHBondContact CB-ND2 3.2Å; V26-N65 WeakPolarHBondContact CA-O 3.45Å; V26-N65 HydrophobicContact CB-CB 4.39Å; V26-N65 HydrophobicContact CG1-CB 4.18Å; K27-N65 PolarHBondContact N-O 3.11Å; R40-N65 PolarHBondContact NH1-OD1 3.45Å; E61-N65 PolarHBondContact O-N 2.98Å
66I90.2Very high78.4Confident47 Ų4777.6 Ų77.624%0.24140%0.401CS..EExtended strand (participates in β ladder)trans-106.5122.1177.4-53.5-179.4000109K27 V29 T64 R68K27-I66 HydrophobicContact CB-CG1 4.16Å; K27-I66 HydrophobicContact CB-CG2 4.47Å; K27-I66 HydrophobicContact CD-CD1 4.26Å; K27-I66 HydrophobicContact CD-CG1 4.24Å; K27-I66 HydrophobicContact CD-CG2 4.3Å; K27-I66 HydrophobicContact CG-CG2 4.45Å; K27-I66 CarbonylContact O-C 3.53Å; K27-I66 VanDerWaalsContact O-CA 3.28Å; K27-I66 WeakPolarHBondContact O-CA 3.46Å; V29-I66 HydrophobicContact CG2-CG2 3.69Å; T64-I66 VanDerWaalsContact O-CG1 3.29Å; T64-I66 WeakPolarHBondContact O-CG1 3.36Å; T64-I66 PolarHBondContact O-N 3.37Å; I66-R68 HydrophobicContact CG2-CG 4.02Å
67V92.3Very high80Confident7 Ų770.7 Ų70.74%0.04236%0.356CS..EExtended strand (participates in β ladder)trans-106.9126.6170.6-1800000108.7K27 L28 V29 I49 M52 L53 F69K27-V67 PolarHBondContact O-N 2.84Å; L28-V67 CarbonylContact C-O 3.25Å; L28-V67 WeakPolarHBondContact CA-O 3.5Å; L28-V67 HydrophobicContact CD2-CB 3.85Å; L28-V67 HydrophobicContact CD2-CG2 4.26Å; V29-V67 PolarHBondContact N-O 3.42Å; I49-V67 HydrophobicContact CG2-CG2 4.41Å; M52-V67 HydrophobicContact SD-CG1 3.58Å; M52-V67 VanDerWaalsContact SD-CG1 3.58Å; L53-V67 HydrophobicContact CD1-CG2 4.46Å; L53-V67 HydrophobicContact CD2-CG2 3.8Å; L53-V67 HydrophobicContact CG-CG2 4Å; V67-F69 HydrophobicContact CG1-CE1 3.97Å; V67-F69 HydrophobicContact CG1-CE2 3.97Å; V67-F69 HydrophobicContact CG1-CZ 3.63Å
68R93.9Very high81.6Confident149 Ų14969.7 Ų69.756%0.56233%0.331SS*.EExtended strand (participates in β ladder)trans-112119.6-177.8-60.6-175.4176.5-83.3-1.8110.7V29 I66V29-R68 HydrophobicContact CB-CG 4.15Å; V29-R68 HydrophobicContact CG2-CG 4.32Å; I66-R68 HydrophobicContact CG2-CG 4.02Å
69F94.4Very high83.6Confident9 Ų970 Ų704%0.03933%0.332CS..  trans-96.7114.4175.7-61.2-69.7000110.3L28 V29 S30 S31 I49 V67 E71 I72 L77 F116 L117L28-F69 HydrophobicContact CB-CE2 4.05Å; L28-F69 HydrophobicContact CD1-CE2 4.3Å; L28-F69 HydrophobicContact CD2-CE2 4.22Å; L28-F69 HydrophobicContact CG-CE2 4.42Å; V29-F69 PolarHBondContact O-N 3.37Å; S30-F69 CarbonylContact C-O 3.6Å; S30-F69 VanDerWaalsContact C-O 3.31Å; S31-F69 VanDerWaalsContact CA-O 3.26Å; S31-F69 WeakPolarHBondContact CA-O 3.42Å; S31-F69 PolarHBondContact N-O 2.93Å; I49-F69 HydrophobicContact CD1-CZ 3.95Å; I49-F69 HydrophobicContact CG1-CZ 3.91Å; V67-F69 HydrophobicContact CG1-CE1 3.97Å; V67-F69 HydrophobicContact CG1-CE2 3.97Å; V67-F69 HydrophobicContact CG1-CZ 3.63Å; F69-E71 VanDerWaalsContact C-N 3.33Å; F69-I72 HydrophobicContact CB-CB 3.83Å; F69-I72 HydrophobicContact CB-CD1 4.23Å; F69-I72 HydrophobicContact CB-CG1 4.04Å; F69-I72 HydrophobicContact CD1-CD1 3.71Å; F69-I72 HydrophobicContact CD1-CG1 4.35Å; F69-I72 HydrophobicContact CE1-CD1 4.21Å; F69-I72 HydrophobicContact CG-CB 4.33Å; F69-I72 HydrophobicContact CG-CD1 3.93Å; F69-I72 HydrophobicContact CG-CG1 4.3Å; F69-L77 HydrophobicContact CD2-CD1 3.85Å; F69-L77 HydrophobicContact CD2-CD2 3.85Å; F69-L77 HydrophobicContact CE2-CD1 3.76Å; F69-L77 HydrophobicContact CE2-CD2 4.37Å; F69-F116 HydrophobicContact CD1-CE1 4.04Å; F69-F116 HydrophobicContact CE1-CE1 4.05Å; F69-L117 HydrophobicContact CD1-CD2 4.4Å; F69-L117 HydrophobicContact CE1-CD2 3.45Å; F69-L117 VanDerWaalsContact CE1-CD2 3.45Å; F69-L117 HydrophobicContact CZ-CD2 3.71Å
70R94.7Very high85.7Confident233 Ų23361 Ų6188%0.87929%0.292SS*.SBendtrans-77.1-21.8179.6-64.7-177-177.1173.42113.4S31S31-R70 WeakPolarHBondContact CB-O 3.45Å
71E94.5Very high87.7Confident175 Ų17557.2 Ų57.282%0.81826%0.261SS*.SBendtrans-117.6-12.7-170.2-62.7179.6-17500113.2F69 P73F69-E71 VanDerWaalsContact C-N 3.33Å; E71-P73 WeakPolarHBondContact O-CD 3.22Å
72I95.9Very high89.6Confident12 Ų1253 Ų536%0.06224%0.241CC..  trans-97.4111.5-178.3-51.5-178.5000109.5S30 S31 F69 V76 L77 A113 F116 L117S30-I72 CarbonylContact C-O 3.57Å; S30-I72 WeakPolarHBondContact CA-O 3.31Å; S30-I72 VanDerWaalsContact CB-O 3.32Å; S30-I72 WeakPolarHBondContact CB-O 3.31Å; S31-I72 PolarHBondContact N-O 3.25Å; S31-I72 PolarHBondContact OG-O 3.42Å; F69-I72 HydrophobicContact CB-CB 3.83Å; F69-I72 HydrophobicContact CB-CD1 4.23Å; F69-I72 HydrophobicContact CB-CG1 4.04Å; F69-I72 HydrophobicContact CD1-CD1 3.71Å; F69-I72 HydrophobicContact CD1-CG1 4.35Å; F69-I72 HydrophobicContact CE1-CD1 4.21Å; F69-I72 HydrophobicContact CG-CB 4.33Å; F69-I72 HydrophobicContact CG-CD1 3.93Å; F69-I72 HydrophobicContact CG-CG1 4.3Å; I72-V76 HydrophobicContact CG2-CB 3.93Å; I72-V76 HydrophobicContact CG2-CG1 3.85Å; I72-L77 HydrophobicContact CG2-CB 3.92Å; I72-A113 HydrophobicContact CD1-CB 4.34Å; I72-F116 HydrophobicContact CD1-CD1 4.1Å; I72-F116 HydrophobicContact CD1-CE1 4.43Å; I72-L117 HydrophobicContact CD1-CD1 4.17Å; I72-L117 HydrophobicContact CD1-CD2 4.33Å; I72-L117 HydrophobicContact CD1-CG 4.29Å
73P95.7Very high91.5Very high27 Ų2754.4 Ų54.418%0.17525%0.245CC..  trans-73.2163.1177.332.5-36.5000111.9S31 E71 H75 V76 L77S31-P73 VanDerWaalsContact OG-CA 3.28Å; S31-P73 WeakPolarHBondContact OG-CA 3.32Å; E71-P73 WeakPolarHBondContact O-CD 3.22Å; P73-H75 VanDerWaalsContact C-N 3.35Å; P73-H75 WeakPolarHBondContact CG-CE1 3.38Å; P73-H75 PolarHBondContact O-N 3.03Å; P73-V76 HydrophobicContact CG-CB 4.18Å; P73-V76 HydrophobicContact CG-CG2 3.72Å; P73-V76 PolarHBondContact O-N 2.89Å; P73-L77 PolarHBondContact O-N 2.86Å
74S95.5Very high93Very high21 Ų2148.4 Ų48.415%0.14722%0.217CC..Hα-helixtrans-57.4-40.1-174.8580000114.4D32 H34 F36 V76 L77 Q78D32-S74 WeakPolarHBondContact OD1-CB 3.35Å; D32-S74 PolarHBondContact OD1-N 3.14Å; D32-S74 PolarHBondContact OD1-OG 3.14Å; D32-S74 VanDerWaalsContact OD2-CB 3.23Å; D32-S74 WeakPolarHBondContact OD2-CB 3.23Å; D32-S74 PolarHBondContact OD2-OG 2.93Å; H34-S74 VanDerWaalsContact CG-CB 3.49Å; H34-S74 WeakPolarHBondContact ND1-CB 3.2Å; H34-S74 PolarHBondContact ND1-OG 3.47Å; F36-S74 VanDerWaalsContact CZ-O 3.31Å; F36-S74 WeakPolarHBondContact CZ-O 3.17Å; S74-V76 VanDerWaalsContact C-N 3.32Å; S74-V76 PolarHBondContact O-N 2.81Å; S74-L77 PolarHBondContact O-N 2.97Å; S74-Q78 VanDerWaalsContact O-CB 3.31Å; S74-Q78 WeakPolarHBondContact O-CB 3.38Å; S74-Q78 PolarHBondContact O-N 3.42Å
75H93.6Very high94Very high70 Ų7048.6 Ų48.632%0.32421%0.214SC..Hα-helixtrans-65.1-35.7-179.166.3-79.8000112.5P73 Y106 E109P73-H75 VanDerWaalsContact C-N 3.35Å; P73-H75 WeakPolarHBondContact CG-CE1 3.38Å; P73-H75 PolarHBondContact O-N 3.03Å; H75-Y106 AromaticContact CD2-CD1 3.8Å; H75-Y106 AromaticContact CD2-CE1 3.71Å; H75-E109 IonicContact CD2-OE2 2.9Å; H75-E109 IonicContact CE1-OE1 3.65Å; H75-E109 IonicContact CE1-OE2 3.31Å; H75-E109 IonicContact NE2-OE1 2.71Å; H75-E109 PolarHBondContact NE2-OE1 3.05Å; H75-E109 IonicContact NE2-OE2 3.62Å; H75-E109 PolarHBondContact NE2-OE2 2.73Å
76V95.5Very high94.3Very high3 Ų351.4 Ų51.42%0.01823%0.225CC..Hα-helixtrans-74.6-47.7174.4-178.40000110.4I72 P73 S74 Q78 K79 I80 E109 L110 A113I72-V76 HydrophobicContact CG2-CB 3.93Å; I72-V76 HydrophobicContact CG2-CG1 3.85Å; P73-V76 HydrophobicContact CG-CB 4.18Å; P73-V76 HydrophobicContact CG-CG2 3.72Å; P73-V76 PolarHBondContact O-N 2.89Å; S74-V76 VanDerWaalsContact C-N 3.32Å; S74-V76 PolarHBondContact O-N 2.81Å; V76-Q78 PolarHBondContact O-N 3.33Å; V76-K79 PolarHBondContact O-N 3.45Å; V76-K79 VanDerWaalsContact O-N 3.14Å; V76-I80 HydrophobicContact CG1-CG1 4.41Å; V76-I80 WeakPolarHBondContact O-CG1 3.23Å; V76-I80 PolarHBondContact O-N 2.96Å; V76-E109 HydrophobicContact CG1-CB 4.5Å; V76-E109 HydrophobicContact CG2-CB 3.62Å; V76-E109 HydrophobicContact CG2-CG 4.31Å; V76-L110 HydrophobicContact CG1-CD2 3.92Å; V76-A113 HydrophobicContact CG1-CB 3.73Å
77L95.4Very high94.5Very high0 Ų051.3 Ų51.30%023%0.226CC..Hα-helixtrans-61.6-34-178.4-173.256.6000112.1L28 F36 F69 I72 P73 S74 I80 C81L28-L77 HydrophobicContact CB-CD1 4.46Å; L28-L77 HydrophobicContact CB-CD2 4.07Å; L28-L77 HydrophobicContact CD1-CD1 4.16Å; F36-L77 HydrophobicContact CD2-CB 4.45Å; F36-L77 HydrophobicContact CD2-CD2 3.5Å; F36-L77 HydrophobicContact CD2-CG 3.85Å; F36-L77 HydrophobicContact CE2-CB 4.03Å; F36-L77 HydrophobicContact CE2-CD2 3.7Å; F36-L77 HydrophobicContact CE2-CG 3.94Å; F36-L77 HydrophobicContact CG-CD2 4.35Å; F36-L77 HydrophobicContact CG-CG 4.33Å; F36-L77 HydrophobicContact CZ-CB 4.25Å; F36-L77 HydrophobicContact CZ-CG 4.47Å; F69-L77 HydrophobicContact CD2-CD1 3.85Å; F69-L77 HydrophobicContact CD2-CD2 3.85Å; F69-L77 HydrophobicContact CE2-CD1 3.76Å; F69-L77 HydrophobicContact CE2-CD2 4.37Å; I72-L77 HydrophobicContact CG2-CB 3.92Å; P73-L77 PolarHBondContact O-N 2.86Å; S74-L77 PolarHBondContact O-N 2.97Å; L77-I80 PolarHBondContact O-N 2.52Å; L77-C81 PolarHBondContact O-N 3.02Å; L77-C81 PolarHBondContact O-SG 3.01Å
78Q94.6Very high94.5Very high56 Ų5655.3 Ų55.326%0.26224%0.24SC..Hα-helixtrans-58.2-52.2173.3-175.4175.5-9.800111.9F6 F36 S74 V76 I80 C81 H82F6-Q78 VanDerWaalsContact CE1-CD 3.47Å; F6-Q78 HydrophobicContact CE1-CG 3.58Å; F6-Q78 HydrophobicContact CZ-CB 4.33Å; F6-Q78 HydrophobicContact CZ-CG 3.76Å; F36-Q78 VanDerWaalsContact CE1-CA 3.44Å; F36-Q78 HydrophobicContact CE1-CB 3.58Å; F36-Q78 HydrophobicContact CE1-CG 4.14Å; F36-Q78 HydrophobicContact CZ-CB 4.11Å; S74-Q78 VanDerWaalsContact O-CB 3.31Å; S74-Q78 WeakPolarHBondContact O-CB 3.38Å; S74-Q78 PolarHBondContact O-N 3.42Å; V76-Q78 PolarHBondContact O-N 3.33Å; Q78-I80 VanDerWaalsContact C-N 3.33Å; Q78-I80 PolarHBondContact O-N 2.62Å; Q78-C81 WeakPolarHBondContact O-CB 3.46Å; Q78-C81 PolarHBondContact O-N 3.31Å; Q78-C81 VanDerWaalsContact O-N 3.14Å; Q78-H82 PolarHBondContact O-N 2.9Å
79K94.1Very high94.5Very high40 Ų4055.7 Ų55.717%0.17424%0.242CC..Hα-helixtrans-65.4-36.2-180-75.1-75.7-177.3161.40111.7V76 H82 Y83 E103 L110V76-K79 PolarHBondContact O-N 3.45Å; V76-K79 VanDerWaalsContact O-N 3.14Å; K79-H82 WeakPolarHBondContact O-CB 3.26Å; K79-H82 PolarHBondContact O-N 2.88Å; K79-Y83 PolarHBondContact O-N 3.36Å; K79-E103 WeakPolarHBondContact CE-OE2 3.34Å; K79-E103 IonicContact NZ-OE1 3.63Å; K79-E103 PolarHBondContact NZ-OE1 3.08Å; K79-E103 IonicContact NZ-OE2 3.05Å; K79-E103 PolarHBondContact NZ-OE2 3.09Å; K79-L110 HydrophobicContact CB-CD1 4.15Å; K79-L110 HydrophobicContact CB-CD2 3.69Å
80I95Very high94.4Very high4 Ų457.4 Ų57.42%0.02125%0.249CC..Hα-helixtrans-59.5-47.6169.9-69.3-62.6000110.9V76 L77 Q78 H82 Y83 L84 L110 A113 L117V76-I80 HydrophobicContact CG1-CG1 4.41Å; V76-I80 WeakPolarHBondContact O-CG1 3.23Å; V76-I80 PolarHBondContact O-N 2.96Å; L77-I80 PolarHBondContact O-N 2.52Å; Q78-I80 VanDerWaalsContact C-N 3.33Å; Q78-I80 PolarHBondContact O-N 2.62Å; I80-H82 VanDerWaalsContact C-N 3.28Å; I80-H82 PolarHBondContact O-N 3.36Å; I80-Y83 CarbonylContact O-C 3.6Å; I80-Y83 WeakPolarHBondContact O-CB 3.42Å; I80-Y83 PolarHBondContact O-N 3.36Å; I80-L84 HydrophobicContact CG2-CD1 4.18Å; I80-L84 HydrophobicContact CG2-CG 4.25Å; I80-L84 WeakPolarHBondContact O-CG 3.45Å; I80-L84 PolarHBondContact O-N 2.84Å; I80-L110 HydrophobicContact CD1-CD2 3.93Å; I80-L110 HydrophobicContact CG1-CD2 4.05Å; I80-A113 HydrophobicContact CD1-CB 4.08Å; I80-A113 HydrophobicContact CG1-CB 4.21Å; I80-L117 HydrophobicContact CB-CD1 4.41Å; I80-L117 HydrophobicContact CD1-CD1 4.25Å; I80-L117 HydrophobicContact CG1-CD1 4.14Å; I80-L117 HydrophobicContact CG2-CD1 3.48Å; I80-L117 VanDerWaalsContact CG2-CD1 3.48Å
81C95.1Very high94.2Very high0 Ų049.6 Ų49.60%023%0.231CC..Hα-helixtrans-60.2-39.9178.4-65.60000111.8F9 I38 L77 Q78 L84 Q85F9-C81 HydrophobicContact CE1-CB 3.9Å; F9-C81 HydrophobicContact CE2-CB 3.92Å; F9-C81 HydrophobicContact CZ-CB 3.26Å; I38-C81 HydrophobicContact CG2-CB 4.17Å; L77-C81 PolarHBondContact O-N 3.02Å; L77-C81 PolarHBondContact O-SG 3.01Å; Q78-C81 WeakPolarHBondContact O-CB 3.46Å; Q78-C81 PolarHBondContact O-N 3.31Å; Q78-C81 VanDerWaalsContact O-N 3.14Å; C81-L84 PolarHBondContact O-N 3.13Å; C81-Q85 PolarHBondContact O-N 3.5Å; C81-Q85 VanDerWaalsContact O-N 3.13Å
82H92.8Very high94Very high52 Ų5248.4 Ų48.424%0.24123%0.23CC..Hα-helixtrans-61.6-43.8172.3-65.7156.2000111.9E8 F9 Q78 K79 I80 Q85 Y86 F100E8-H82 IonicContact OE2-CE1 3.68Å; E8-H82 IonicContact OE2-NE2 2.83Å; E8-H82 PolarHBondContact OE2-NE2 2.6Å; F9-H82 AromaticContact CE1-CD2 3.88Å; F9-H82 AromaticContact CZ-CD2 3.68Å; Q78-H82 PolarHBondContact O-N 2.9Å; K79-H82 WeakPolarHBondContact O-CB 3.26Å; K79-H82 PolarHBondContact O-N 2.88Å; I80-H82 VanDerWaalsContact C-N 3.28Å; I80-H82 PolarHBondContact O-N 3.36Å; H82-Q85 PolarHBondContact O-N 3.31Å; H82-Y86 WeakPolarHBondContact O-CB 2.98Å; H82-Y86 PolarHBondContact O-N 3.17Å; H82-F100 HydrophobicContact CB-CE2 4.12Å; H82-F100 HydrophobicContact CB-CZ 4.29Å
83Y94.6Very high93.8Very high58 Ų5849.7 Ų49.723%0.22724%0.239CC..Hα-helixtrans-63.8-43.4177.6173.8-103.5000112.5K79 I80 Q85 Y86 N87 F100 C119K79-Y83 PolarHBondContact O-N 3.36Å; I80-Y83 CarbonylContact O-C 3.6Å; I80-Y83 WeakPolarHBondContact O-CB 3.42Å; I80-Y83 PolarHBondContact O-N 3.36Å; Y83-Q85 VanDerWaalsContact C-N 3.3Å; Y83-Q85 PolarHBondContact O-N 3.25Å; Y83-Y86 HydrophobicContact CD2-CD1 4.31Å; Y83-Y86 HydrophobicContact CE2-CD1 4.46Å; Y83-Y86 WeakPolarHBondContact O-CB 3.41Å; Y83-Y86 PolarHBondContact O-N 3.2Å; Y83-N87 WeakPolarHBondContact O-CB 3.35Å; Y83-N87 PolarHBondContact O-N 3.42Å; Y83-N87 PolarHBondContact OH-ND2 3.21Å; Y83-F100 HydrophobicContact CD2-CD1 4.28Å; Y83-F100 HydrophobicContact CD2-CE1 4.31Å; Y83-F100 HydrophobicContact CD2-CG 4.46Å; Y83-C119 HydrophobicContact CE1-CB 4.06Å; Y83-C119 WeakPolarHBondContact CE1-OXT 3.27Å; Y83-C119 PolarHBondContact OH-OXT 2.99Å
84L95.4Very high93.5Very high0 Ų055.3 Ų55.30%027%0.273CS..Hα-helixtrans-60.7-42176.6-63.8179.1000111.2I38 V42 V45 A46 I49 I80 C81 N87 Y88 C119I38-L84 HydrophobicContact CD1-CD1 4.18Å; V42-L84 HydrophobicContact CG1-CB 3.75Å; V45-L84 HydrophobicContact CB-CD2 4.01Å; V45-L84 HydrophobicContact CG1-CD2 3.98Å; A46-L84 HydrophobicContact CB-CD1 4.42Å; A46-L84 HydrophobicContact CB-CD2 3.92Å; I49-L84 HydrophobicContact CD1-CD1 4.24Å; I80-L84 HydrophobicContact CG2-CD1 4.18Å; I80-L84 HydrophobicContact CG2-CG 4.25Å; I80-L84 WeakPolarHBondContact O-CG 3.45Å; I80-L84 PolarHBondContact O-N 2.84Å; C81-L84 PolarHBondContact O-N 3.13Å; L84-N87 PolarHBondContact O-N 3.45Å; L84-Y88 VanDerWaalsContact O-CB 3.26Å; L84-Y88 WeakPolarHBondContact O-CB 3.33Å; L84-Y88 PolarHBondContact O-N 2.91Å; L84-C119 HydrophobicContact CD2-CB 4.04Å
85Q92.9Very high93.3Very high58 Ų5858.4 Ų58.427%0.27130%0.295SS..Hα-helixtrans-64.4-42176.1-178.261.471.900111.9F9 V42 C81 H82 Y83 R89F9-Q85 HydrophobicContact CD1-CB 4.48Å; F9-Q85 HydrophobicContact CE1-CB 4.37Å; V42-Q85 HydrophobicContact CG1-CB 4.25Å; C81-Q85 PolarHBondContact O-N 3.5Å; C81-Q85 VanDerWaalsContact O-N 3.13Å; H82-Q85 PolarHBondContact O-N 3.31Å; Y83-Q85 VanDerWaalsContact C-N 3.3Å; Y83-Q85 PolarHBondContact O-N 3.25Å; Q85-R89 VanDerWaalsContact O-CB 3.23Å; Q85-R89 WeakPolarHBondContact O-CB 3.37Å; Q85-R89 PolarHBondContact O-N 3.1Å
86Y93.9Very high93.1Very high58 Ų5862.7 Ų62.723%0.22732%0.32CS..Hα-helixtrans-61.1-53174.9168.1-90.2000111H82 Y83 Y88 R89 F90 I97 P98 F100H82-Y86 WeakPolarHBondContact O-CB 2.98Å; H82-Y86 PolarHBondContact O-N 3.17Å; Y83-Y86 HydrophobicContact CD2-CD1 4.31Å; Y83-Y86 HydrophobicContact CE2-CD1 4.46Å; Y83-Y86 WeakPolarHBondContact O-CB 3.41Å; Y83-Y86 PolarHBondContact O-N 3.2Å; Y86-Y88 PolarHBondContact O-N 2.74Å; Y86-R89 PolarHBondContact O-N 3.26Å; Y86-R89 VanDerWaalsContact O-N 3.15Å; Y86-F90 AromaticContact CD2-CD2 3.44Å; Y86-F90 HydrophobicContact CD2-CD2 3.44Å; Y86-F90 VanDerWaalsContact CD2-CD2 3.44Å; Y86-F90 AromaticContact CD2-CE2 3.64Å; Y86-F90 HydrophobicContact CD2-CE2 3.64Å; Y86-F90 AromaticContact CE2-CD2 3.55Å; Y86-F90 HydrophobicContact CE2-CD2 3.55Å; Y86-F90 AromaticContact CE2-CE2 3.87Å; Y86-F90 HydrophobicContact CE2-CE2 3.87Å; Y86-F90 HydrophobicContact CE2-CG 4.43Å; Y86-F90 HydrophobicContact CG-CD2 4.03Å; Y86-F90 WeakPolarHBondContact O-CD2 3.16Å; Y86-F90 PolarHBondContact O-N 2.97Å; Y86-I97 HydrophobicContact CE2-CG2 4.19Å; Y86-I97 WeakPolarHBondContact OH-CG2 3.4Å; Y86-P98 HydrophobicContact CE2-CG 4.19Å; Y86-P98 WeakPolarHBondContact CE2-O 3.4Å; Y86-P98 PolarHBondContact OH-O 2.77Å; Y86-F100 HydrophobicContact CD1-CB 4.26Å; Y86-F100 HydrophobicContact CD1-CD2 4.21Å; Y86-F100 HydrophobicContact CD1-CG 4.46Å; Y86-F100 HydrophobicContact CD2-CB 4.37Å; Y86-F100 HydrophobicContact CD2-CD2 4.12Å; Y86-F100 HydrophobicContact CE1-CB 4.06Å; Y86-F100 HydrophobicContact CE2-CB 4.17Å; Y86-F100 HydrophobicContact CG-CB 4.41Å; Y86-F100 AromaticContact CG-CD2 3.83Å; Y86-F100 HydrophobicContact CG-CD2 3.83Å; Y86-F100 HydrophobicContact CG-CG 4.47Å
87N93.7Very high92.9Very high46 Ų4666.7 Ų66.725%0.24634%0.34CS..Hα-helixtrans-60-48.1179.9-173.3-49.6000110.7V45 Y83 L84 R89 F90 S91V45-N87 HydrophobicContact CG1-CB 4.1Å; Y83-N87 WeakPolarHBondContact O-CB 3.35Å; Y83-N87 PolarHBondContact O-N 3.42Å; Y83-N87 PolarHBondContact OH-ND2 3.21Å; L84-N87 PolarHBondContact O-N 3.45Å; N87-R89 VanDerWaalsContact C-N 3.31Å; N87-R89 PolarHBondContact O-N 2.76Å; N87-F90 PolarHBondContact O-N 3.32Å; N87-S91 WeakPolarHBondContact O-CA 3.35Å; N87-S91 WeakPolarHBondContact O-CB 3.28Å; N87-S91 PolarHBondContact O-N 3.35Å; N87-S91 PolarHBondContact O-OG 2.82Å
88Y94.2Very high92.9Very high91 Ų9169.9 Ų69.936%0.35736%0.361SS..Hα-helixtrans-54-47.9174.9-177.2-100.8000111.7E41 V42 V45 L84 Y86 F90 S91E41-Y88 HydrophobicContact CB-CE2 3.99Å; E41-Y88 HydrophobicContact CG-CE1 4.35Å; E41-Y88 HydrophobicContact CG-CE2 4.05Å; E41-Y88 PolarHBondContact OE2-OH 2.92Å; V42-Y88 HydrophobicContact CG2-CD1 3.84Å; V42-Y88 HydrophobicContact CG2-CD2 4.49Å; V42-Y88 HydrophobicContact CG2-CE1 4.44Å; V42-Y88 HydrophobicContact CG2-CG 3.89Å; V45-Y88 HydrophobicContact CG2-CD2 4.16Å; L84-Y88 VanDerWaalsContact O-CB 3.26Å; L84-Y88 WeakPolarHBondContact O-CB 3.33Å; L84-Y88 PolarHBondContact O-N 2.91Å; Y86-Y88 PolarHBondContact O-N 2.74Å; Y88-F90 PolarHBondContact O-N 3.03Å; Y88-S91 PolarHBondContact O-OG 2.76Å; Y88-S91 VanDerWaalsContact O-OG 3.13Å
89R92Very high92.8Very high157 Ų15775.5 Ų75.559%0.59239%0.388SS*.Hα-helixtrans-68.1-33.4-176.2-179.359.2-178.483.7-1.2113.9Q85 Y86 N87Q85-R89 VanDerWaalsContact O-CB 3.23Å; Q85-R89 WeakPolarHBondContact O-CB 3.37Å; Q85-R89 PolarHBondContact O-N 3.1Å; Y86-R89 PolarHBondContact O-N 3.26Å; Y86-R89 VanDerWaalsContact O-N 3.15Å; N87-R89 VanDerWaalsContact C-N 3.31Å; N87-R89 PolarHBondContact O-N 2.76Å
90F93.7Very high92.8Very high45 Ų4576.4 Ų76.420%0.19739%0.392CS..Hα-helixtrans-111.4-5.3-171.4-63.8-69.1000114.7Y86 N87 Y88 N92 C93 I97 P98Y86-F90 AromaticContact CD2-CD2 3.44Å; Y86-F90 HydrophobicContact CD2-CD2 3.44Å; Y86-F90 VanDerWaalsContact CD2-CD2 3.44Å; Y86-F90 AromaticContact CD2-CE2 3.64Å; Y86-F90 HydrophobicContact CD2-CE2 3.64Å; Y86-F90 AromaticContact CE2-CD2 3.55Å; Y86-F90 HydrophobicContact CE2-CD2 3.55Å; Y86-F90 AromaticContact CE2-CE2 3.87Å; Y86-F90 HydrophobicContact CE2-CE2 3.87Å; Y86-F90 HydrophobicContact CE2-CG 4.43Å; Y86-F90 HydrophobicContact CG-CD2 4.03Å; Y86-F90 WeakPolarHBondContact O-CD2 3.16Å; Y86-F90 PolarHBondContact O-N 2.97Å; N87-F90 PolarHBondContact O-N 3.32Å; Y88-F90 PolarHBondContact O-N 3.03Å; F90-N92 PolarHBondContact O-N 2.79Å; F90-N92 VanDerWaalsContact O-N 3.08Å; F90-C93 HydrophobicContact CB-CB 4.3Å; F90-C93 HydrophobicContact CD1-CB 4Å; F90-C93 WeakPolarHBondContact O-CB 3.41Å; F90-C93 PolarHBondContact O-N 2.81Å; F90-I97 HydrophobicContact CB-CG2 3.96Å; F90-I97 HydrophobicContact CD1-CG2 4.27Å; F90-I97 HydrophobicContact CG-CG2 4.01Å; F90-P98 HydrophobicContact CD2-CG 4.47Å; F90-P98 HydrophobicContact CE1-CG 4.04Å; F90-P98 HydrophobicContact CE2-CG 3.69Å; F90-P98 VanDerWaalsContact CZ-CD 3.47Å; F90-P98 HydrophobicContact CZ-CG 3.44Å; F90-P98 VanDerWaalsContact CZ-CG 3.44Å
91S90.8Very high92.7Very high69 Ų6980.6 Ų80.648%0.48342%0.417SS..THydrogen-bonded Turntrans-51.8-33.3-179.654.60000114.7N87 Y88N87-S91 WeakPolarHBondContact O-CA 3.35Å; N87-S91 WeakPolarHBondContact O-CB 3.28Å; N87-S91 PolarHBondContact O-N 3.35Å; N87-S91 PolarHBondContact O-OG 2.82Å; Y88-S91 PolarHBondContact O-OG 2.76Å; Y88-S91 VanDerWaalsContact O-OG 3.13Å
92N90.3Very high92.7Very high150 Ų15083.5 Ų83.580%0.80244%0.435SS*.THydrogen-bonded Turntrans-115.615.6178.7-61-57.9000112.8F90F90-N92 PolarHBondContact O-N 2.79Å; F90-N92 VanDerWaalsContact O-N 3.08Å
93C90.3Very high92.7Very high38 Ų3884.2 Ų84.226%0.25744%0.438SS..  trans-77.5125.8179.7-169.90000110.1F90 I97F90-C93 HydrophobicContact CB-CB 4.3Å; F90-C93 HydrophobicContact CD1-CB 4Å; F90-C93 WeakPolarHBondContact O-CB 3.41Å; F90-C93 PolarHBondContact O-N 2.81Å; C93-I97 HydrophobicContact CB-CG1 4.35Å
94T89.7Confident92.7Very high145 Ų14587.3 Ų87.389%0.8947%0.466SS*.  trans-98.2-317658.30000113.2
95S90.8Very high92.6Very high86 Ų8693.9 Ų93.960%0.60150%0.496SS*.SBendtrans-99.6-178.8178.6-52.20000110.4I97S95-I97 WeakPolarHBondContact O-CG1 3.48Å; S95-I97 PolarHBondContact O-N 3.35Å
96D89.5Confident92.6Very high161 Ų16193.7 Ų93.786%0.86149%0.494SS*.PPolyproline II helixtrans-50.8123.7176.7-61.6-35.3000111.9
97I93Very high92.6Very high86 Ų8693.3 Ų93.344%0.44150%0.502SS..PPolyproline II helixtrans-99.2123.9178.1-56.8179.1000107.2Y86 F90 C93 S95Y86-I97 HydrophobicContact CE2-CG2 4.19Å; Y86-I97 WeakPolarHBondContact OH-CG2 3.4Å; F90-I97 HydrophobicContact CB-CG2 3.96Å; F90-I97 HydrophobicContact CD1-CG2 4.27Å; F90-I97 HydrophobicContact CG-CG2 4.01Å; C93-I97 HydrophobicContact CB-CG1 4.35Å; S95-I97 WeakPolarHBondContact O-CG1 3.48Å; S95-I97 PolarHBondContact O-N 3.35Å
98P93.9Very high92.7Very high68 Ų6896.9 Ų96.944%0.44252%0.52SS..PPolyproline II helixtrans-66.2150178.526.7-31.7000111Y86 F90Y86-P98 HydrophobicContact CE2-CG 4.19Å; Y86-P98 WeakPolarHBondContact CE2-O 3.4Å; Y86-P98 PolarHBondContact OH-O 2.77Å; F90-P98 HydrophobicContact CD2-CG 4.47Å; F90-P98 HydrophobicContact CE1-CG 4.04Å; F90-P98 HydrophobicContact CE2-CG 3.69Å; F90-P98 VanDerWaalsContact CZ-CD 3.47Å; F90-P98 HydrophobicContact CZ-CG 3.44Å; F90-P98 VanDerWaalsContact CZ-CG 3.44Å
99E94.1Very high92.7Very high174 Ų17495.7 Ų95.781%0.81352%0.518SS*.PPolyproline II helixtrans-69132.7176.6-173.7175.8-170.900111.4V101E99-V101 HydrophobicContact CG-CG2 4.35Å; E99-V101 PolarHBondContact O-N 2.73Å
100F93.3Very high92.9Very high58 Ų5889 Ų8925%0.25449%0.494SS..  trans-87.797.4169-171.2-92.1000109.6H82 Y83 Y86 V102H82-F100 HydrophobicContact CB-CE2 4.12Å; H82-F100 HydrophobicContact CB-CZ 4.29Å; Y83-F100 HydrophobicContact CD2-CD1 4.28Å; Y83-F100 HydrophobicContact CD2-CE1 4.31Å; Y83-F100 HydrophobicContact CD2-CG 4.46Å; Y86-F100 HydrophobicContact CD1-CB 4.26Å; Y86-F100 HydrophobicContact CD1-CD2 4.21Å; Y86-F100 HydrophobicContact CD1-CG 4.46Å; Y86-F100 HydrophobicContact CD2-CB 4.37Å; Y86-F100 HydrophobicContact CD2-CD2 4.12Å; Y86-F100 HydrophobicContact CE1-CB 4.06Å; Y86-F100 HydrophobicContact CE2-CB 4.17Å; Y86-F100 HydrophobicContact CG-CB 4.41Å; Y86-F100 AromaticContact CG-CD2 3.83Å; Y86-F100 HydrophobicContact CG-CD2 3.83Å; Y86-F100 HydrophobicContact CG-CG 4.47Å; F100-V102 HydrophobicContact CD1-CG2 3.86Å; F100-V102 HydrophobicContact CE1-CG2 3.87Å; F100-V102 PolarHBondContact O-N 2.91Å
101V93.4Very high92.9Very high92 Ų9292.6 Ų92.656%0.55852%0.515SS*.  trans-74.5124.8-176.6-177.90000110.8E99E99-V101 HydrophobicContact CG-CG2 4.35Å; E99-V101 PolarHBondContact O-N 2.73Å
102V93.7Very high93.1Very high62 Ų6294.6 Ų94.638%0.37652%0.518SS..  trans-111.3118.8171.8176.80000109F100 A107 L110F100-V102 HydrophobicContact CD1-CG2 3.86Å; F100-V102 HydrophobicContact CE1-CG2 3.87Å; F100-V102 PolarHBondContact O-N 2.91Å; V102-A107 HydrophobicContact CG1-CB 4.42Å; V102-L110 HydrophobicContact CG1-CD1 3.66Å; V102-L110 HydrophobicContact CG2-CD1 4.33Å
103E93.7Very high93.4Very high67 Ų6787.9 Ų87.931%0.31348%0.483SS..  trans-67.8139.2176-55.984.5163.200110K79 E105 Y106K79-E103 WeakPolarHBondContact CE-OE2 3.34Å; K79-E103 IonicContact NZ-OE1 3.63Å; K79-E103 PolarHBondContact NZ-OE1 3.08Å; K79-E103 IonicContact NZ-OE2 3.05Å; K79-E103 PolarHBondContact NZ-OE2 3.09Å; E103-E105 HydrophobicContact CB-CG 4.05Å; E103-E105 PolarHBondContact O-N 3.33Å; E103-Y106 HydrophobicContact CB-CD2 3.83Å; E103-Y106 HydrophobicContact CB-CE2 4.07Å; E103-Y106 HydrophobicContact CG-CD2 4.44Å; E103-Y106 HydrophobicContact CG-CE2 4.39Å; E103-Y106 PolarHBondContact O-N 3.33Å; E103-Y106 WeakPolarHBondContact OE2-CD2 3.32Å
104P94.9Very high93.5Very high123 Ų12387.3 Ų87.380%0.79948%0.481SS*.G310 helixtrans-54.9-31.4-174.2-28.835.2000114.6Y106 A107P104-Y106 PolarHBondContact O-N 3.18Å; P104-A107 PolarHBondContact O-N 2.68Å
105E93.6Very high93.8Very high137 Ų13787 Ų8764%0.6447%0.474SS*.G310 helixtrans-63.2-25.6177.861.7-163.8-136.800114E103E103-E105 HydrophobicContact CB-CG 4.05Å; E103-E105 PolarHBondContact O-N 3.33Å
106Y92.5Very high93.9Very high55 Ų5587.5 Ų87.522%0.21647%0.466CS..G310 helixtrans-99.2-9.8178.8-55.5-59.1000113.6H75 E103 P104 L108 E109 L110H75-Y106 AromaticContact CD2-CD1 3.8Å; H75-Y106 AromaticContact CD2-CE1 3.71Å; E103-Y106 HydrophobicContact CB-CD2 3.83Å; E103-Y106 HydrophobicContact CB-CE2 4.07Å; E103-Y106 HydrophobicContact CG-CD2 4.44Å; E103-Y106 HydrophobicContact CG-CE2 4.39Å; E103-Y106 PolarHBondContact O-N 3.33Å; E103-Y106 WeakPolarHBondContact OE2-CD2 3.32Å; P104-Y106 PolarHBondContact O-N 3.18Å; Y106-L108 PolarHBondContact O-N 3.41Å; Y106-E109 PolarHBondContact O-N 2.8Å; Y106-L110 WeakPolarHBondContact O-CB 3.06Å; Y106-L110 WeakPolarHBondContact O-CG 3.15Å; Y106-L110 PolarHBondContact O-N 3.4Å
107A93.9Very high94.1Very high49 Ų4979.9 Ų79.941%0.40543%0.425SS..Hα-helixtrans-57.7-45-166.500000113.4V102 P104 L111V102-A107 HydrophobicContact CG1-CB 4.42Å; P104-A107 PolarHBondContact O-N 2.68Å; A107-L111 VanDerWaalsContact O-CB 3.31Å; A107-L111 WeakPolarHBondContact O-CB 3.28Å; A107-L111 PolarHBondContact O-N 2.75Å
108L95.4Very high94.2Very high121 Ų12181.4 Ų81.463%0.63443%0.434SS*.Hα-helixtrans-69.7-44.7-178.9-176.462.3000112Y106 L111 M112Y106-L108 PolarHBondContact O-N 3.41Å; L108-L111 PolarHBondContact O-N 3.16Å; L108-M112 HydrophobicContact CG-CE 4.41Å; L108-M112 WeakPolarHBondContact O-CG 3.34Å; L108-M112 PolarHBondContact O-N 2.99Å; L108-M112 VanDerWaalsContact O-N 3.11Å
109E94.9Very high94Very high67 Ų6780.2 Ų80.231%0.31343%0.427SS..Hα-helixtrans-65.2-41.6179.2-66.2-174.699.700111.6H75 V76 Y106 M112 A113H75-E109 IonicContact CD2-OE2 2.9Å; H75-E109 IonicContact CE1-OE1 3.65Å; H75-E109 IonicContact CE1-OE2 3.31Å; H75-E109 IonicContact NE2-OE1 2.71Å; H75-E109 PolarHBondContact NE2-OE1 3.05Å; H75-E109 IonicContact NE2-OE2 3.62Å; H75-E109 PolarHBondContact NE2-OE2 2.73Å; V76-E109 HydrophobicContact CG1-CB 4.5Å; V76-E109 HydrophobicContact CG2-CB 3.62Å; V76-E109 HydrophobicContact CG2-CG 4.31Å; Y106-E109 PolarHBondContact O-N 2.8Å; E109-M112 HydrophobicContact CG-CE 4.45Å; E109-M112 PolarHBondContact O-N 3.47Å; E109-A113 WeakPolarHBondContact O-CB 3.26Å; E109-A113 PolarHBondContact O-N 3.38Å
110L94.7Very high94Very high17 Ų1775.6 Ų75.69%0.08941%0.407CS..Hα-helixtrans-66.4-38176.2-74170.4000112.2V76 K79 I80 V102 Y106 A113 A114V76-L110 HydrophobicContact CG1-CD2 3.92Å; K79-L110 HydrophobicContact CB-CD1 4.15Å; K79-L110 HydrophobicContact CB-CD2 3.69Å; I80-L110 HydrophobicContact CD1-CD2 3.93Å; I80-L110 HydrophobicContact CG1-CD2 4.05Å; V102-L110 HydrophobicContact CG1-CD1 3.66Å; V102-L110 HydrophobicContact CG2-CD1 4.33Å; Y106-L110 WeakPolarHBondContact O-CB 3.06Å; Y106-L110 WeakPolarHBondContact O-CG 3.15Å; Y106-L110 PolarHBondContact O-N 3.4Å; L110-A113 PolarHBondContact O-N 3.19Å; L110-A114 WeakPolarHBondContact O-CB 3.44Å; L110-A114 PolarHBondContact O-N 3.12Å
111L95.1Very high94.1Very high119 Ų11976.5 Ų76.562%0.62342%0.415SS*.Hα-helixtrans-61.3-4517517963.6000111.6A107 L108 N115A107-L111 VanDerWaalsContact O-CB 3.31Å; A107-L111 WeakPolarHBondContact O-CB 3.28Å; A107-L111 PolarHBondContact O-N 2.75Å; L108-L111 PolarHBondContact O-N 3.16Å; L111-N115 WeakPolarHBondContact O-CB 3.45Å; L111-N115 PolarHBondContact O-N 3.25Å
112M95.4Very high94.1Very high112 Ų11275.6 Ų75.655%0.55241%0.408SS*.Hα-helixtrans-64.4-44.5177-67.7-174.1-61.800111.6L108 E109 N115 F116L108-M112 HydrophobicContact CG-CE 4.41Å; L108-M112 WeakPolarHBondContact O-CG 3.34Å; L108-M112 PolarHBondContact O-N 2.99Å; L108-M112 VanDerWaalsContact O-N 3.11Å; E109-M112 HydrophobicContact CG-CE 4.45Å; E109-M112 PolarHBondContact O-N 3.47Å; M112-N115 PolarHBondContact O-N 2.95Å; M112-F116 WeakPolarHBondContact O-CB 3.29Å; M112-F116 PolarHBondContact O-N 3.01Å
113A95.1Very high94.1Very high8 Ų876.4 Ų76.47%0.06641%0.409CS..Hα-helixtrans-65.3-43.2178.600000112.1I72 V76 I80 E109 L110 F116 L117I72-A113 HydrophobicContact CD1-CB 4.34Å; V76-A113 HydrophobicContact CG1-CB 3.73Å; I80-A113 HydrophobicContact CD1-CB 4.08Å; I80-A113 HydrophobicContact CG1-CB 4.21Å; E109-A113 WeakPolarHBondContact O-CB 3.26Å; E109-A113 PolarHBondContact O-N 3.38Å; L110-A113 PolarHBondContact O-N 3.19Å; A113-F116 PolarHBondContact O-N 2.74Å; A113-L117 VanDerWaalsContact O-CB 3.31Å; A113-L117 WeakPolarHBondContact O-CB 3.41Å; A113-L117 VanDerWaalsContact O-CG 3.23Å; A113-L117 WeakPolarHBondContact O-CG 3.44Å; A113-L117 PolarHBondContact O-N 3.39Å
114A94Very high94.2Very high26 Ų2677 Ų7722%0.21542%0.415CS..Hα-helixtrans-60.2-47.1176.700000111.5L110 F116 L117 D118 C119L110-A114 WeakPolarHBondContact O-CB 3.44Å; L110-A114 PolarHBondContact O-N 3.12Å; A114-F116 VanDerWaalsContact C-N 3.31Å; A114-F116 PolarHBondContact O-N 3.18Å; A114-L117 PolarHBondContact O-N 2.85Å; A114-D118 PolarHBondContact O-N 2.65Å; A114-C119 WeakPolarHBondContact CB-O 3.36Å; A114-C119 PolarHBondContact O-N 3.5Å
115N94.7Very high94.1Very high139 Ų13973.9 Ų73.974%0.74339%0.39SS*.Hα-helixtrans-60.6-39.8175.3179.782.7000112.4L111 M112L111-N115 WeakPolarHBondContact O-CB 3.45Å; L111-N115 PolarHBondContact O-N 3.25Å; M112-N115 PolarHBondContact O-N 2.95Å
116F93.8Very high94.2Very high97 Ų9769.4 Ų69.443%0.42537%0.372SS..Hα-helixtrans-68.8-38175.9172.4-101.2000112.8T48 M52 F69 I72 M112 A113 A114 D118T48-F116 WeakPolarHBondContact CB-O 3.33Å; T48-F116 HydrophobicContact CG2-CE1 4.22Å; T48-F116 HydrophobicContact CG2-CZ 4.2Å; T48-F116 PolarHBondContact OG1-O 3.3Å; M52-F116 HydrophobicContact CE-CZ 4.42Å; F69-F116 HydrophobicContact CD1-CE1 4.04Å; F69-F116 HydrophobicContact CE1-CE1 4.05Å; I72-F116 HydrophobicContact CD1-CD1 4.1Å; I72-F116 HydrophobicContact CD1-CE1 4.43Å; M112-F116 WeakPolarHBondContact O-CB 3.29Å; M112-F116 PolarHBondContact O-N 3.01Å; A113-F116 PolarHBondContact O-N 2.74Å; A114-F116 VanDerWaalsContact C-N 3.31Å; A114-F116 PolarHBondContact O-N 3.18Å; F116-D118 VanDerWaalsContact C-N 3.34Å
117L94Very high94.3Very high0 Ų070.5 Ų70.50%038%0.384CS..Hα-helixtrans-84.4-9.8-175.5-68.6176.7000113.9A46 G47 T48 I49 F69 I72 I80 A113 A114A46-L117 CarbonylContact C-O 3.6Å; A46-L117 HydrophobicContact CB-CB 4.3Å; A46-L117 WeakPolarHBondContact CB-O 3.47Å; G47-L117 PolarHBondContact N-O 3.02Å; G47-L117 VanDerWaalsContact N-O 3.12Å; T48-L117 PolarHBondContact N-O 3.39Å; T48-L117 VanDerWaalsContact N-O 3.09Å; I49-L117 HydrophobicContact CD1-CD2 4.39Å; I49-L117 HydrophobicContact CG1-CD2 4.13Å; F69-L117 HydrophobicContact CD1-CD2 4.4Å; F69-L117 HydrophobicContact CE1-CD2 3.45Å; F69-L117 VanDerWaalsContact CE1-CD2 3.45Å; F69-L117 HydrophobicContact CZ-CD2 3.71Å; I72-L117 HydrophobicContact CD1-CD1 4.17Å; I72-L117 HydrophobicContact CD1-CD2 4.33Å; I72-L117 HydrophobicContact CD1-CG 4.29Å; I80-L117 HydrophobicContact CB-CD1 4.41Å; I80-L117 HydrophobicContact CD1-CD1 4.25Å; I80-L117 HydrophobicContact CG1-CD1 4.14Å; I80-L117 HydrophobicContact CG2-CD1 3.48Å; I80-L117 VanDerWaalsContact CG2-CD1 3.48Å; A113-L117 VanDerWaalsContact O-CB 3.31Å; A113-L117 WeakPolarHBondContact O-CB 3.41Å; A113-L117 VanDerWaalsContact O-CG 3.23Å; A113-L117 WeakPolarHBondContact O-CG 3.44Å; A113-L117 PolarHBondContact O-N 3.39Å; A114-L117 PolarHBondContact O-N 2.85Å
118D94.6Very high94.3Very high118 Ų11872.3 Ų72.363%0.63138%0.382SS*.THydrogen-bonded Turntrans55.559.5-175.2-171.738.4000110.7G47 A114 F116G47-D118 PolarHBondContact N-O 2.99Å; G47-D118 VanDerWaalsContact N-O 3.14Å; A114-D118 PolarHBondContact O-N 2.65Å; F116-D118 VanDerWaalsContact C-N 3.34Å
119C90.1Very high94.2Very high44 Ų4467.9 Ų67.930%0.29736%0.36SS..  trans-149.70-18068.40000113.6A46 Y83 L84 A114A46-C119 HydrophobicContact CB-CB 4.22Å; Y83-C119 HydrophobicContact CE1-CB 4.06Å; Y83-C119 WeakPolarHBondContact CE1-OXT 3.27Å; Y83-C119 PolarHBondContact OH-OXT 2.99Å; L84-C119 HydrophobicContact CD2-CB 4.04Å; A114-C119 WeakPolarHBondContact CB-O 3.36Å; A114-C119 PolarHBondContact O-N 3.5Å

Retrieved 119 of 119 residues in 36.5 ms (Link to these results)

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