G4VEY1_SCHMA Loading...

XRN2-binding (XTBD) domain-containing protein

AlphaFold DB , UniProt , Accession G4VEY1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 83 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
1M61.6Low83.6Confident155 Ų155103.6 Ų103.676%0.76451%0.512SS*.  031.70-75.9179.5-87.600111.7E3 E25M1-E3 VanDerWaalsContact C-N 3.29Å; M1-E25 HydrophobicContact SD-CG 3.7Å
2E67.8Low83.9Confident174 Ų17496.7 Ų96.781%0.81348%0.477SS*.Hα-helixtrans-70.5-28.3174.2-67.7176.1169.900112.1L4 E5 S6E2-L4 VanDerWaalsContact C-N 3.26Å; E2-L4 PolarHBondContact O-N 2.99Å; E2-E5 WeakPolarHBondContact O-CB 3.5Å; E2-E5 PolarHBondContact O-N 3.38Å; E2-E5 VanDerWaalsContact O-N 3.09Å; E2-S6 PolarHBondContact O-N 3.01Å
3E79.7Confident84.5Confident116 Ų11693.9 Ų93.954%0.54247%0.469SS..Hα-helixtrans-57.4-39.3176.3-172.6172.1-164.900112.1M1 S6 F28M1-E3 VanDerWaalsContact C-N 3.29Å; E3-S6 WeakPolarHBondContact O-CB 3.26Å; E3-S6 PolarHBondContact O-N 2.99Å; E3-S6 PolarHBondContact O-OG 3.43Å; E3-F28 HydrophobicContact CG-CZ 4.32Å; E3-F28 WeakPolarHBondContact OE2-CZ 3.3Å
4L86.2Confident84.9Confident4 Ų494.7 Ų94.72%0.02148%0.484CS..Hα-helixtrans-67.1-38.9176.4-67.2-176000112.2E2 S6 W7 W17 L24 E25 F28E2-L4 VanDerWaalsContact C-N 3.26Å; E2-L4 PolarHBondContact O-N 2.99Å; L4-S6 PolarHBondContact O-N 2.94Å; L4-W7 WeakPolarHBondContact O-CA 3.4Å; L4-W7 WeakPolarHBondContact O-CB 3.29Å; L4-W7 PolarHBondContact O-N 3.42Å; L4-W17 HydrophobicContact CB-CH2 4.39Å; L4-W17 WeakPolarHBondContact O-CH2 3.33Å; L4-W17 WeakPolarHBondContact O-CZ2 3.38Å; L4-L24 HydrophobicContact CD1-CB 4.07Å; L4-L24 HydrophobicContact CD2-CB 3.78Å; L4-L24 HydrophobicContact CD2-CD1 4.16Å; L4-L24 HydrophobicContact CD2-CG 4.45Å; L4-E25 HydrophobicContact CD1-CB 4.29Å; L4-E25 HydrophobicContact CD1-CG 3.35Å; L4-F28 HydrophobicContact CD2-CD2 3.54Å; L4-F28 HydrophobicContact CD2-CE2 3.56Å; L4-F28 HydrophobicContact CG-CD2 4.31Å; L4-F28 HydrophobicContact CG-CE2 4.34Å
5E86.6Confident85.3Confident79 Ų7992.7 Ų92.737%0.36948%0.478SS..Hα-helixtrans-60.8-28.5176.7-69.5-63.614500111.8E2 W7 K8 W17 R21E2-E5 WeakPolarHBondContact O-CB 3.5Å; E2-E5 PolarHBondContact O-N 3.38Å; E2-E5 VanDerWaalsContact O-N 3.09Å; E5-W7 PolarHBondContact O-N 3.3Å; E5-K8 VanDerWaalsContact O-CB 3.28Å; E5-K8 WeakPolarHBondContact O-CB 3.42Å; E5-K8 PolarHBondContact O-N 3.31Å; E5-W17 PolarHBondContact OE1-NE1 3.3Å; E5-W17 PolarHBondContact OE2-NE1 3.11Å; E5-R21 IonicContact OE1-CZ 2.91Å; E5-R21 IonicContact OE1-NE 3.93Å; E5-R21 IonicContact OE1-NH1 3.71Å; E5-R21 PolarHBondContact OE1-NH1 3.42Å
6S88Confident85.7Confident88 Ų8888.8 Ų88.862%0.61546%0.457SS*.Hα-helixtrans-67.8-21.1172.781.20000113.8E2 E3 L4 K8E2-S6 PolarHBondContact O-N 3.01Å; E3-S6 WeakPolarHBondContact O-CB 3.26Å; E3-S6 PolarHBondContact O-N 2.99Å; E3-S6 PolarHBondContact O-OG 3.43Å; L4-S6 PolarHBondContact O-N 2.94Å; S6-K8 VanDerWaalsContact C-N 3.34Å
7W89.6Confident86.2Confident45 Ų4584.4 Ų84.417%0.1743%0.433CS..THydrogen-bonded Turntrans-86.4-7.2177-65.415.6000112.6L4 E5 R9 R20 L24 P33 L36 E37L4-W7 WeakPolarHBondContact O-CA 3.4Å; L4-W7 WeakPolarHBondContact O-CB 3.29Å; L4-W7 PolarHBondContact O-N 3.42Å; E5-W7 PolarHBondContact O-N 3.3Å; W7-R9 PolarHBondContact O-N 3.09Å; W7-R20 PolarHBondContact O-NH1 3.26Å; W7-R20 PolarHBondContact O-NH2 3.41Å; W7-L24 HydrophobicContact CE3-CD1 4.02Å; W7-L24 HydrophobicContact CE3-CD2 3.77Å; W7-L24 HydrophobicContact CZ3-CD2 3.66Å; W7-P33 HydrophobicContact CH2-CB 3.81Å; W7-P33 HydrophobicContact CZ2-CB 3.96Å; W7-L36 HydrophobicContact CH2-CD2 4.3Å; W7-L36 HydrophobicContact CZ3-CD2 4.15Å; W7-L36 HydrophobicContact CZ3-CG 4.28Å; W7-E37 HydrophobicContact CE3-CB 4.31Å; W7-E37 HydrophobicContact CZ3-CB 4.08Å
8K91.7Very high86.5Confident86 Ų8684.1 Ų84.137%0.37443%0.426SS..  trans-66.6123.3176-173.7-177.1-177.3-178.60110.1E5 S6 W17E5-K8 VanDerWaalsContact O-CB 3.28Å; E5-K8 WeakPolarHBondContact O-CB 3.42Å; E5-K8 PolarHBondContact O-N 3.31Å; S6-K8 VanDerWaalsContact C-N 3.34Å; K8-W17 HydrophobicContact CB-CD2 3.79Å; K8-W17 HydrophobicContact CB-CE3 3.86Å; K8-W17 HydrophobicContact CB-CG 4.47Å; K8-W17 HydrophobicContact CB-CH2 4.12Å; K8-W17 HydrophobicContact CB-CZ2 3.98Å; K8-W17 HydrophobicContact CB-CZ3 4.04Å; K8-W17 HydrophobicContact CD-CB 4.37Å; K8-W17 HydrophobicContact CD-CD2 3.86Å; K8-W17 HydrophobicContact CD-CG 3.67Å; K8-W17 HydrophobicContact CG-CB 4.31Å; K8-W17 HydrophobicContact CG-CD2 3.55Å; K8-W17 HydrophobicContact CG-CE3 3.86Å; K8-W17 HydrophobicContact CG-CG 3.74Å
9R90.1Very high86.8Confident105 Ų10579.7 Ų79.740%0.39640%0.404SS..  trans-78.9145.3174.3-58.3176.1177.1-156.4-3.1110.6W7 H11 E12 E37 H41W7-R9 PolarHBondContact O-N 3.09Å; R9-H11 PolarHBondContact O-N 2.64Å; R9-E12 HydrophobicContact CB-CG 4.03Å; R9-E12 WeakPolarHBondContact CB-OE1 3.37Å; R9-E12 WeakPolarHBondContact CD-OE1 3.45Å; R9-E12 WeakPolarHBondContact CG-OE1 3.48Å; R9-E12 PolarHBondContact N-OE1 3.07Å; R9-E12 WeakPolarHBondContact O-CB 3.48Å; R9-E12 PolarHBondContact O-N 3.49Å; R9-E12 VanDerWaalsContact O-N 3.09Å; R9-E37 IonicContact NH2-OE1 3.43Å; R9-H41 PolarHBondContact NE-CE1 2.86Å; R9-H41 PolarHBondContact NE-NE2 3.37Å; R9-H41 PolarHBondContact NH2-NE2 2.88Å
10T88.8Confident87.2Confident152 Ų15275.8 Ų75.893%0.93338%0.384SS*.THydrogen-bonded Turntrans-61-27.9-178.650.10000113.9
11H89.8Confident87.5Confident136 Ų13676 Ų7663%0.6338%0.38SS*.THydrogen-bonded Turntrans-93.6-1.2179.856.4-91.1000113.7R9R9-H11 PolarHBondContact O-N 2.64Å
12E87Confident88.9Confident20 Ų2070 Ų709%0.09335%0.353CS..  trans-74.8132177.1-83171.1-124.500111.3R9 E16 R20 H41R9-E12 HydrophobicContact CB-CG 4.03Å; R9-E12 WeakPolarHBondContact CB-OE1 3.37Å; R9-E12 WeakPolarHBondContact CD-OE1 3.45Å; R9-E12 WeakPolarHBondContact CG-OE1 3.48Å; R9-E12 PolarHBondContact N-OE1 3.07Å; R9-E12 WeakPolarHBondContact O-CB 3.48Å; R9-E12 PolarHBondContact O-N 3.49Å; R9-E12 VanDerWaalsContact O-N 3.09Å; E12-E16 HydrophobicContact CB-CB 4.46Å; E12-E16 HydrophobicContact CG-CB 4.46Å; E12-R20 IonicContact OE1-CZ 2.64Å; E12-R20 VanDerWaalsContact OE1-CZ 3.23Å; E12-R20 IonicContact OE1-NE 3.3Å; E12-R20 PolarHBondContact OE1-NE 3Å; E12-R20 IonicContact OE1-NH2 3.65Å; E12-R20 PolarHBondContact OE1-NH2 2.97Å; E12-R20 IonicContact OE2-CZ 3.65Å; E12-R20 IonicContact OE2-NE 2.76Å; E12-R20 PolarHBondContact OE2-NE 2.91Å; E12-R20 IonicContact OE2-NH2 3.58Å; E12-R20 PolarHBondContact OE2-NH2 2.87Å; E12-H41 IonicContact OE1-CE1 3.89Å
13T91.1Very high90.2Very high61 Ų6161.7 Ų61.737%0.37431%0.314SS..  trans-65.2153.9171.764.20000110.5T15 E16 W17T13-T15 PolarHBondContact O-N 3.21Å; T13-T15 VanDerWaalsContact O-N 3.14Å; T13-E16 WeakPolarHBondContact CB-OE2 3.42Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.36Å; T13-E16 PolarHBondContact N-OE2 2.61Å; T13-E16 PolarHBondContact O-N 3.06Å; T13-E16 VanDerWaalsContact O-N 3.16Å; T13-E16 WeakPolarHBondContact OG1-CB 3.44Å; T13-E16 VanDerWaalsContact OG1-CD 3.3Å; T13-E16 WeakPolarHBondContact OG1-CG 3.43Å; T13-E16 PolarHBondContact OG1-N 3.08Å; T13-E16 PolarHBondContact OG1-OE2 3.2Å; T13-W17 PolarHBondContact O-N 3.36Å
14P91.1Very high90.9Very high105 Ų10556.2 Ų56.268%0.68229%0.289SS*.Hα-helixtrans-54.8-33.2174.7-2735.2000113.3R18P14-R18 WeakPolarHBondContact O-CB 3.34Å; P14-R18 PolarHBondContact O-N 3.23Å
15T90Very high91.2Very high65 Ų6559.3 Ų59.340%0.39930%0.303SS..Hα-helixtrans-68.4-49.6177.2-58.30000111.5T13 W17 R18 V19 L48T13-T15 PolarHBondContact O-N 3.21Å; T13-T15 VanDerWaalsContact O-N 3.14Å; T15-W17 PolarHBondContact O-N 3.16Å; T15-R18 PolarHBondContact O-N 2.84Å; T15-V19 WeakPolarHBondContact O-CG2 3.21Å; T15-V19 PolarHBondContact O-N 3.27Å; T15-V19 VanDerWaalsContact O-N 3.11Å; T15-L48 HydrophobicContact CG2-CD1 4.31Å; T15-L48 HydrophobicContact CG2-CD2 4.1Å
16E92.5Very high91.5Very high29 Ų2959.2 Ų59.214%0.13630%0.301CS..Hα-helixtrans-58-49.2176-73.8164.813600111.2E12 T13 R18 V19 R20 T44 L48 Y49E12-E16 HydrophobicContact CB-CB 4.46Å; E12-E16 HydrophobicContact CG-CB 4.46Å; T13-E16 WeakPolarHBondContact CB-OE2 3.42Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.36Å; T13-E16 PolarHBondContact N-OE2 2.61Å; T13-E16 PolarHBondContact O-N 3.06Å; T13-E16 VanDerWaalsContact O-N 3.16Å; T13-E16 WeakPolarHBondContact OG1-CB 3.44Å; T13-E16 VanDerWaalsContact OG1-CD 3.3Å; T13-E16 WeakPolarHBondContact OG1-CG 3.43Å; T13-E16 PolarHBondContact OG1-N 3.08Å; T13-E16 PolarHBondContact OG1-OE2 3.2Å; E16-R18 VanDerWaalsContact C-N 3.29Å; E16-R18 PolarHBondContact O-N 3.37Å; E16-V19 PolarHBondContact O-N 2.78Å; E16-R20 VanDerWaalsContact O-CB 3.3Å; E16-R20 WeakPolarHBondContact O-CB 3.35Å; E16-R20 PolarHBondContact O-N 2.82Å; E16-T44 HydrophobicContact CB-CG2 4.12Å; E16-T44 HydrophobicContact CG-CG2 4.19Å; E16-L48 HydrophobicContact CB-CD1 4.26Å; E16-L48 HydrophobicContact CG-CD1 3.62Å; E16-Y49 HydrophobicContact CG-CE2 4.5Å; E16-Y49 WeakPolarHBondContact OE1-CE2 3.46Å; E16-Y49 PolarHBondContact OE1-OH 3.22Å
17W94.1Very high91.8Very high14 Ų1455 Ų555%0.05327%0.272CS..Hα-helixtrans-59.8-42.1-179.9177.8-124.2000111.5L4 E5 K8 T13 T15 R20 R21 L24L4-W17 HydrophobicContact CB-CH2 4.39Å; L4-W17 WeakPolarHBondContact O-CH2 3.33Å; L4-W17 WeakPolarHBondContact O-CZ2 3.38Å; E5-W17 PolarHBondContact OE1-NE1 3.3Å; E5-W17 PolarHBondContact OE2-NE1 3.11Å; K8-W17 HydrophobicContact CB-CD2 3.79Å; K8-W17 HydrophobicContact CB-CE3 3.86Å; K8-W17 HydrophobicContact CB-CG 4.47Å; K8-W17 HydrophobicContact CB-CH2 4.12Å; K8-W17 HydrophobicContact CB-CZ2 3.98Å; K8-W17 HydrophobicContact CB-CZ3 4.04Å; K8-W17 HydrophobicContact CD-CB 4.37Å; K8-W17 HydrophobicContact CD-CD2 3.86Å; K8-W17 HydrophobicContact CD-CG 3.67Å; K8-W17 HydrophobicContact CG-CB 4.31Å; K8-W17 HydrophobicContact CG-CD2 3.55Å; K8-W17 HydrophobicContact CG-CE3 3.86Å; K8-W17 HydrophobicContact CG-CG 3.74Å; T13-W17 PolarHBondContact O-N 3.36Å; T15-W17 PolarHBondContact O-N 3.16Å; W17-R20 HydrophobicContact CE3-CB 4.48Å; W17-R20 VanDerWaalsContact CE3-NH2 3.25Å; W17-R20 VanDerWaalsContact CZ3-CZ 3.45Å; W17-R20 PolarHBondContact O-N 3.23Å; W17-R21 HydrophobicContact CD2-CB 4.23Å; W17-R21 HydrophobicContact CE3-CB 4.45Å; W17-R21 HydrophobicContact CH2-CB 4.14Å; W17-R21 HydrophobicContact CH2-CG 4.41Å; W17-R21 HydrophobicContact CZ2-CB 3.97Å; W17-R21 HydrophobicContact CZ2-CG 4.03Å; W17-R21 HydrophobicContact CZ3-CB 4.39Å; W17-R21 WeakPolarHBondContact O-CA 3.36Å; W17-R21 WeakPolarHBondContact O-CB 3.47Å; W17-R21 PolarHBondContact O-N 3.37Å; W17-L24 HydrophobicContact CH2-CD1 4.07Å; W17-L24 HydrophobicContact CZ3-CD1 3.94Å
18R91.4Very high91.8Very high79 Ų7955.9 Ų55.930%0.29828%0.277SS..Hα-helixtrans-60.6-49.8177.8-178.117860.5-153.8-5.8111.9P14 T15 E16 R20 R21 S22 Q76P14-R18 WeakPolarHBondContact O-CB 3.34Å; P14-R18 PolarHBondContact O-N 3.23Å; T15-R18 PolarHBondContact O-N 2.84Å; E16-R18 VanDerWaalsContact C-N 3.29Å; E16-R18 PolarHBondContact O-N 3.37Å; R18-R20 VanDerWaalsContact C-N 3.34Å; R18-R20 PolarHBondContact O-N 2.97Å; R18-R21 PolarHBondContact O-N 3.07Å; R18-S22 PolarHBondContact O-N 3.31Å; R18-S22 PolarHBondContact O-OG 3.32Å; R18-S22 VanDerWaalsContact O-OG 3.14Å; R18-Q76 VanDerWaalsContact NH2-NE2 3.17Å
19V92.4Very high91.8Very high1 Ų159.1 Ų59.11%0.00630%0.299CS..Hα-helixtrans-60.9-46.7178.6176.70000110.7T15 E16 S22 F23 F43 T47 L48 I72T15-V19 WeakPolarHBondContact O-CG2 3.21Å; T15-V19 PolarHBondContact O-N 3.27Å; T15-V19 VanDerWaalsContact O-N 3.11Å; E16-V19 PolarHBondContact O-N 2.78Å; V19-S22 PolarHBondContact O-N 3.14Å; V19-F23 PolarHBondContact O-N 3.13Å; V19-F43 HydrophobicContact CG1-CD1 4.07Å; V19-F43 HydrophobicContact CG1-CE1 3.8Å; V19-T47 HydrophobicContact CG1-CG2 4.4Å; V19-L48 HydrophobicContact CG2-CD1 4.34Å; V19-L48 HydrophobicContact CG2-CD2 4.06Å; V19-L48 HydrophobicContact CG2-CG 4.38Å; V19-I72 HydrophobicContact CB-CD1 4.07Å; V19-I72 HydrophobicContact CG1-CD1 3.87Å; V19-I72 HydrophobicContact CG2-CD1 3.63Å; V19-I72 HydrophobicContact CG2-CG1 4.3Å; V19-I72 HydrophobicContact CG2-CG2 4.36Å
20R94.2Very high91.8Very high1 Ų160.3 Ų60.30%0.00431%0.307CS..Hα-helixtrans-64.5-44.8-179-163.5164.665.391.1-2.4111.6W7 E12 E16 W17 R18 S22 F23 L24 S40 T44W7-R20 PolarHBondContact O-NH1 3.26Å; W7-R20 PolarHBondContact O-NH2 3.41Å; E12-R20 IonicContact OE1-CZ 2.64Å; E12-R20 VanDerWaalsContact OE1-CZ 3.23Å; E12-R20 IonicContact OE1-NE 3.3Å; E12-R20 PolarHBondContact OE1-NE 3Å; E12-R20 IonicContact OE1-NH2 3.65Å; E12-R20 PolarHBondContact OE1-NH2 2.97Å; E12-R20 IonicContact OE2-CZ 3.65Å; E12-R20 IonicContact OE2-NE 2.76Å; E12-R20 PolarHBondContact OE2-NE 2.91Å; E12-R20 IonicContact OE2-NH2 3.58Å; E12-R20 PolarHBondContact OE2-NH2 2.87Å; E16-R20 VanDerWaalsContact O-CB 3.3Å; E16-R20 WeakPolarHBondContact O-CB 3.35Å; E16-R20 PolarHBondContact O-N 2.82Å; W17-R20 HydrophobicContact CE3-CB 4.48Å; W17-R20 VanDerWaalsContact CE3-NH2 3.25Å; W17-R20 VanDerWaalsContact CZ3-CZ 3.45Å; W17-R20 PolarHBondContact O-N 3.23Å; R18-R20 VanDerWaalsContact C-N 3.34Å; R18-R20 PolarHBondContact O-N 2.97Å; R20-S22 PolarHBondContact O-N 3.1Å; R20-F23 WeakPolarHBondContact O-CB 3.21Å; R20-F23 PolarHBondContact O-N 3.04Å; R20-F23 VanDerWaalsContact O-N 3.11Å; R20-L24 HydrophobicContact CG-CD1 4.29Å; R20-L24 HydrophobicContact CG-CG 4.5Å; R20-L24 WeakPolarHBondContact O-CG 3.48Å; R20-L24 PolarHBondContact O-N 3.23Å; R20-S40 WeakPolarHBondContact CD-OG 3.5Å; R20-S40 WeakPolarHBondContact CG-OG 3.39Å; R20-T44 WeakPolarHBondContact CB-OG1 3.49Å
21R93.3Very high91.9Very high81 Ų8155.3 Ų55.331%0.30627%0.274SS..Hα-helixtrans-60.5-44.5178.4-178.2176.2167.1-176.6-11.2111.6E5 W17 R18 F23 L24 E25E5-R21 IonicContact OE1-CZ 2.91Å; E5-R21 IonicContact OE1-NE 3.93Å; E5-R21 IonicContact OE1-NH1 3.71Å; E5-R21 PolarHBondContact OE1-NH1 3.42Å; W17-R21 HydrophobicContact CD2-CB 4.23Å; W17-R21 HydrophobicContact CE3-CB 4.45Å; W17-R21 HydrophobicContact CH2-CB 4.14Å; W17-R21 HydrophobicContact CH2-CG 4.41Å; W17-R21 HydrophobicContact CZ2-CB 3.97Å; W17-R21 HydrophobicContact CZ2-CG 4.03Å; W17-R21 HydrophobicContact CZ3-CB 4.39Å; W17-R21 WeakPolarHBondContact O-CA 3.36Å; W17-R21 WeakPolarHBondContact O-CB 3.47Å; W17-R21 PolarHBondContact O-N 3.37Å; R18-R21 PolarHBondContact O-N 3.07Å; R21-F23 PolarHBondContact O-N 3.36Å; R21-L24 PolarHBondContact O-N 3.42Å; R21-L24 VanDerWaalsContact O-N 3.16Å; R21-E25 HydrophobicContact CG-CG 4.2Å; R21-E25 IonicContact CZ-OE1 3.52Å; R21-E25 VanDerWaalsContact CZ-OE1 3.3Å; R21-E25 IonicContact NE-OE1 3.32Å; R21-E25 PolarHBondContact NE-OE1 3.11Å; R21-E25 IonicContact NH2-OE1 3.88Å; R21-E25 PolarHBondContact NH2-OE1 3.24Å; R21-E25 WeakPolarHBondContact O-CB 3.46Å; R21-E25 WeakPolarHBondContact O-CG 3.43Å; R21-E25 PolarHBondContact O-N 2.84Å
22S92.5Very high92.1Very high29 Ų2954.5 Ų54.520%0.20327%0.27CS..Hα-helixtrans-57.6-39.4174.3-620000112.2R18 V19 R20 K26R18-S22 PolarHBondContact O-N 3.31Å; R18-S22 PolarHBondContact O-OG 3.32Å; R18-S22 VanDerWaalsContact O-OG 3.14Å; V19-S22 PolarHBondContact O-N 3.14Å; R20-S22 PolarHBondContact O-N 3.1Å; S22-K26 WeakPolarHBondContact O-CB 3.48Å; S22-K26 PolarHBondContact O-N 3.31Å
23F94.7Very high92.3Very high0 Ų056.8 Ų56.80%029%0.287CS..Hα-helixtrans-67.9-42175.8-172.1-87.3000113V19 R20 R21 N27 L36 L39 F43 L64 I68V19-F23 PolarHBondContact O-N 3.13Å; R20-F23 WeakPolarHBondContact O-CB 3.21Å; R20-F23 PolarHBondContact O-N 3.04Å; R20-F23 VanDerWaalsContact O-N 3.11Å; R21-F23 PolarHBondContact O-N 3.36Å; F23-N27 PolarHBondContact O-N 3.31Å; F23-N27 PolarHBondContact O-ND2 2.85Å; F23-L36 HydrophobicContact CD1-CD1 4.35Å; F23-L36 HydrophobicContact CE1-CD1 4.13Å; F23-L39 HydrophobicContact CE1-CB 3.98Å; F23-L39 HydrophobicContact CZ-CB 4.18Å; F23-F43 HydrophobicContact CB-CD1 3.8Å; F23-F43 HydrophobicContact CB-CE1 4.2Å; F23-F43 HydrophobicContact CB-CG 4.49Å; F23-F43 HydrophobicContact CD2-CB 3.8Å; F23-F43 AromaticContact CD2-CD1 3.49Å; F23-F43 HydrophobicContact CD2-CD1 3.49Å; F23-F43 VanDerWaalsContact CD2-CD1 3.49Å; F23-F43 AromaticContact CD2-CD2 3.84Å; F23-F43 HydrophobicContact CD2-CD2 3.84Å; F23-F43 AromaticContact CD2-CE1 3.97Å; F23-F43 HydrophobicContact CD2-CE1 3.97Å; F23-F43 HydrophobicContact CD2-CE2 4.29Å; F23-F43 AromaticContact CD2-CG 3.41Å; F23-F43 HydrophobicContact CD2-CG 3.41Å; F23-F43 VanDerWaalsContact CD2-CG 3.41Å; F23-F43 HydrophobicContact CD2-CZ 4.34Å; F23-F43 HydrophobicContact CE2-CB 3.88Å; F23-F43 HydrophobicContact CE2-CD1 4.32Å; F23-F43 AromaticContact CE2-CD2 3.92Å; F23-F43 HydrophobicContact CE2-CD2 3.92Å; F23-F43 AromaticContact CE2-CG 3.77Å; F23-F43 HydrophobicContact CE2-CG 3.77Å; F23-F43 HydrophobicContact CG-CB 4.2Å; F23-F43 AromaticContact CG-CD1 3.87Å; F23-F43 HydrophobicContact CG-CD1 3.87Å; F23-F43 HydrophobicContact CG-CE1 4.5Å; F23-F43 HydrophobicContact CG-CG 4.07Å; F23-F43 HydrophobicContact CZ-CB 4.34Å; F23-L64 HydrophobicContact CE2-CB 3.66Å; F23-L64 HydrophobicContact CZ-CB 3.63Å; F23-L64 HydrophobicContact CZ-CD1 4.02Å; F23-I68 HydrophobicContact CB-CD1 4.11Å; F23-I68 HydrophobicContact CD2-CD1 3.97Å; F23-I68 HydrophobicContact CG-CD1 4.43Å
24L94.5Very high92.3Very high0 Ų060.9 Ų60.90%030%0.302CS..Hα-helixtrans-63.8-49.8177-68.4172.9000111.3L4 W7 W17 R20 R21 K26 N27 F28 L36L4-L24 HydrophobicContact CD1-CB 4.07Å; L4-L24 HydrophobicContact CD2-CB 3.78Å; L4-L24 HydrophobicContact CD2-CD1 4.16Å; L4-L24 HydrophobicContact CD2-CG 4.45Å; W7-L24 HydrophobicContact CE3-CD1 4.02Å; W7-L24 HydrophobicContact CE3-CD2 3.77Å; W7-L24 HydrophobicContact CZ3-CD2 3.66Å; W17-L24 HydrophobicContact CH2-CD1 4.07Å; W17-L24 HydrophobicContact CZ3-CD1 3.94Å; R20-L24 HydrophobicContact CG-CD1 4.29Å; R20-L24 HydrophobicContact CG-CG 4.5Å; R20-L24 WeakPolarHBondContact O-CG 3.48Å; R20-L24 PolarHBondContact O-N 3.23Å; R21-L24 PolarHBondContact O-N 3.42Å; R21-L24 VanDerWaalsContact O-N 3.16Å; L24-K26 VanDerWaalsContact C-N 3.33Å; L24-K26 PolarHBondContact O-N 2.89Å; L24-N27 CarbonylContact O-C 3.37Å; L24-N27 PolarHBondContact O-N 3.18Å; L24-N27 VanDerWaalsContact O-N 3.16Å; L24-F28 WeakPolarHBondContact O-CA 3.35Å; L24-F28 WeakPolarHBondContact O-CB 3.32Å; L24-F28 PolarHBondContact O-N 3.41Å; L24-L36 HydrophobicContact CD2-CD1 4.13Å; L24-L36 HydrophobicContact CD2-CD2 4.01Å; L24-L36 HydrophobicContact CD2-CG 3.63Å
25E92.8Very high92.5Very high70 Ų7060.1 Ų60.133%0.32729%0.285SS..Hα-helixtrans-58.4-43.6-179.5-73.1-179.7168.700111.8M1 L4 R21 N27M1-E25 HydrophobicContact SD-CG 3.7Å; L4-E25 HydrophobicContact CD1-CB 4.29Å; L4-E25 HydrophobicContact CD1-CG 3.35Å; R21-E25 HydrophobicContact CG-CG 4.2Å; R21-E25 IonicContact CZ-OE1 3.52Å; R21-E25 VanDerWaalsContact CZ-OE1 3.3Å; R21-E25 IonicContact NE-OE1 3.32Å; R21-E25 PolarHBondContact NE-OE1 3.11Å; R21-E25 IonicContact NH2-OE1 3.88Å; R21-E25 PolarHBondContact NH2-OE1 3.24Å; R21-E25 WeakPolarHBondContact O-CB 3.46Å; R21-E25 WeakPolarHBondContact O-CG 3.43Å; R21-E25 PolarHBondContact O-N 2.84Å; E25-N27 VanDerWaalsContact C-N 3.29Å; E25-N27 PolarHBondContact O-N 3.05Å
26K92.5Very high92.8Very high76 Ų7657 Ų5733%0.3327%0.266SS..Hα-helixtrans-65.8-30.9179.7-174-178.4174.4-155.90113.2S22 L24 L64 E66 I68S22-K26 WeakPolarHBondContact O-CB 3.48Å; S22-K26 PolarHBondContact O-N 3.31Å; L24-K26 VanDerWaalsContact C-N 3.33Å; L24-K26 PolarHBondContact O-N 2.89Å; K26-L64 WeakPolarHBondContact CD-O 3.5Å; K26-L64 WeakPolarHBondContact CE-O 3.28Å; K26-L64 PolarHBondContact NZ-O 3.15Å; K26-E66 PolarHBondContact NZ-O 3.42Å; K26-I68 HydrophobicContact CB-CD1 4.15Å; K26-I68 HydrophobicContact CD-CD1 3.62Å; K26-I68 HydrophobicContact CD-CG1 3.85Å
27N93.4Very high92.9Very high0 Ų058.9 Ų58.90%028%0.275CS..Hα-helixtrans-117.58.2-169.4-59.6-61.6000113.7F23 L24 E25 N29 K30 L36 L64F23-N27 PolarHBondContact O-N 3.31Å; F23-N27 PolarHBondContact O-ND2 2.85Å; L24-N27 CarbonylContact O-C 3.37Å; L24-N27 PolarHBondContact O-N 3.18Å; L24-N27 VanDerWaalsContact O-N 3.16Å; E25-N27 VanDerWaalsContact C-N 3.29Å; E25-N27 PolarHBondContact O-N 3.05Å; N27-N29 VanDerWaalsContact C-N 3.3Å; N27-N29 PolarHBondContact O-N 3.28Å; N27-K30 PolarHBondContact O-N 2.85Å; N27-K30 PolarHBondContact OD1-NZ 2.88Å; N27-L36 HydrophobicContact CB-CD1 3.64Å; N27-L64 PolarHBondContact ND2-O 3.33Å; N27-L64 WeakPolarHBondContact OD1-CD2 3.21Å
28F90.6Very high92.9Very high63 Ų6361.2 Ų61.228%0.27629%0.293SS..THydrogen-bonded Turntrans-53.4-42.5-173.6-165.2-109.2000113.8E3 L4 L24 L36E3-F28 HydrophobicContact CG-CZ 4.32Å; E3-F28 WeakPolarHBondContact OE2-CZ 3.3Å; L4-F28 HydrophobicContact CD2-CD2 3.54Å; L4-F28 HydrophobicContact CD2-CE2 3.56Å; L4-F28 HydrophobicContact CG-CD2 4.31Å; L4-F28 HydrophobicContact CG-CE2 4.34Å; L24-F28 WeakPolarHBondContact O-CA 3.35Å; L24-F28 WeakPolarHBondContact O-CB 3.32Å; L24-F28 PolarHBondContact O-N 3.41Å; F28-L36 HydrophobicContact CD2-CD2 4.12Å
29N90Very high93.2Very high155 Ų15557.4 Ų57.483%0.82928%0.278SS*.THydrogen-bonded Turntrans-96.35.3-178.1-61.3-38.6000114N27N27-N29 VanDerWaalsContact C-N 3.3Å; N27-N29 PolarHBondContact O-N 3.28Å
30K90.7Very high93.3Very high130 Ų13057.4 Ų57.457%0.56528%0.278SS*.THydrogen-bonded Turntrans-99.8-23.8-174.2-63.6-174.9-171.7167.80113.5N27N27-K30 PolarHBondContact O-N 2.85Å; N27-K30 PolarHBondContact OD1-NZ 2.88Å
31L90.9Very high93.4Very high46 Ų4659.2 Ų59.224%0.24129%0.286CS..SBendtrans-134.9155.4-169.7-66.9176.4000110.7L36 L39 L64L31-L36 HydrophobicContact CB-CB 4.11Å; L31-L36 HydrophobicContact CD1-CD1 4.29Å; L31-L39 HydrophobicContact CD1-CD1 3.66Å; L31-L64 HydrophobicContact CD1-CD1 3.66Å
32H93.7Very high93.5Very high120 Ų12056 Ų5656%0.55628%0.276SS*.  trans-59.7140.7169.4-170.7-99.8000110.4E34 R35 L36H32-E34 VanDerWaalsContact C-N 3.35Å; H32-E34 PolarHBondContact O-N 3.42Å; H32-R35 HydrophobicContact CB-CB 4.42Å; H32-R35 PolarHBondContact O-N 3.29Å; H32-L36 PolarHBondContact O-N 3.21Å
33P91.1Very high93.7Very high67 Ų6754.9 Ų54.944%0.43527%0.268SS..Hα-helixtrans-50.6-47.5-175.3-32.437.3000114.6W7 R35 L36 E37W7-P33 HydrophobicContact CH2-CB 3.81Å; W7-P33 HydrophobicContact CZ2-CB 3.96Å; P33-R35 VanDerWaalsContact C-N 3.32Å; P33-R35 PolarHBondContact O-N 2.66Å; P33-L36 WeakPolarHBondContact O-CB 3.26Å; P33-L36 PolarHBondContact O-N 2.81Å; P33-E37 PolarHBondContact O-N 2.71Å
34E92.6Very high93.7Very high147 Ų14755 Ų5569%0.68727%0.269SS*.Hα-helixtrans-62.2-38.9179.4-64.1177.1179.600112.7H32 C38H32-E34 VanDerWaalsContact C-N 3.35Å; H32-E34 PolarHBondContact O-N 3.42Å; E34-C38 WeakPolarHBondContact O-CB 3.38Å; E34-C38 PolarHBondContact O-N 2.99Å; E34-C38 VanDerWaalsContact O-N 3.14Å
35R95Very high93.7Very high89 Ų8957.2 Ų57.234%0.33628%0.28SS..Hα-helixtrans-70.3-42.5178.9-17859.9-179.4155.5-5.2110.4H32 P33 C38 L39 E60H32-R35 HydrophobicContact CB-CB 4.42Å; H32-R35 PolarHBondContact O-N 3.29Å; P33-R35 VanDerWaalsContact C-N 3.32Å; P33-R35 PolarHBondContact O-N 2.66Å; R35-C38 PolarHBondContact O-N 3.42Å; R35-L39 HydrophobicContact CG-CD1 3.97Å; R35-L39 WeakPolarHBondContact O-CB 3.44Å; R35-L39 WeakPolarHBondContact O-CG 3.38Å; R35-L39 PolarHBondContact O-N 3.2Å; R35-E60 IonicContact CZ-OE2 3.23Å; R35-E60 IonicContact NE-OE1 2.66Å; R35-E60 IonicContact NE-OE2 3.22Å; R35-E60 IonicContact NH2-OE1 2.78Å; R35-E60 IonicContact NH2-OE2 2.81Å; R35-E60 PolarHBondContact NH2-OE2 3.32Å
36L95.4Very high93.8Very high1 Ų154.6 Ų54.61%0.00527%0.271CS..Hα-helixtrans-61.2-45.7177.2178.861.5000111.2W7 F23 L24 N27 F28 L31 H32 P33 L39 S40W7-L36 HydrophobicContact CH2-CD2 4.3Å; W7-L36 HydrophobicContact CZ3-CD2 4.15Å; W7-L36 HydrophobicContact CZ3-CG 4.28Å; F23-L36 HydrophobicContact CD1-CD1 4.35Å; F23-L36 HydrophobicContact CE1-CD1 4.13Å; L24-L36 HydrophobicContact CD2-CD1 4.13Å; L24-L36 HydrophobicContact CD2-CD2 4.01Å; L24-L36 HydrophobicContact CD2-CG 3.63Å; N27-L36 HydrophobicContact CB-CD1 3.64Å; F28-L36 HydrophobicContact CD2-CD2 4.12Å; L31-L36 HydrophobicContact CB-CB 4.11Å; L31-L36 HydrophobicContact CD1-CD1 4.29Å; H32-L36 PolarHBondContact O-N 3.21Å; P33-L36 WeakPolarHBondContact O-CB 3.26Å; P33-L36 PolarHBondContact O-N 2.81Å; L36-L39 PolarHBondContact O-N 3.34Å; L36-S40 VanDerWaalsContact O-CB 3.29Å; L36-S40 WeakPolarHBondContact O-CB 3.29Å; L36-S40 PolarHBondContact O-N 3.23Å
37E94.2Very high93.8Very high67 Ų6752.1 Ų52.131%0.31326%0.262SS..Hα-helixtrans-58.8-50.8176.9-171.9-175.3176.500110.7W7 R9 P33 L39 S40 H41W7-E37 HydrophobicContact CE3-CB 4.31Å; W7-E37 HydrophobicContact CZ3-CB 4.08Å; R9-E37 IonicContact NH2-OE1 3.43Å; P33-E37 PolarHBondContact O-N 2.71Å; E37-L39 PolarHBondContact O-N 3.45Å; E37-S40 WeakPolarHBondContact O-CB 3.47Å; E37-S40 PolarHBondContact O-N 2.92Å; E37-S40 PolarHBondContact O-OG 2.99Å; E37-H41 PolarHBondContact O-CD2 3.5Å; E37-H41 PolarHBondContact O-N 3.47Å; E37-H41 IonicContact OE1-NE2 2.69Å
38C95.6Very high93.7Very high63 Ų6354.9 Ų54.943%0.42628%0.277SS..Hα-helixtrans-57.1-49.4178.8-178.50000112.3E34 R35 S40 H41 C42E34-C38 WeakPolarHBondContact O-CB 3.38Å; E34-C38 PolarHBondContact O-N 2.99Å; E34-C38 VanDerWaalsContact O-N 3.14Å; R35-C38 PolarHBondContact O-N 3.42Å; C38-S40 VanDerWaalsContact C-N 3.31Å; C38-S40 PolarHBondContact O-N 3.36Å; C38-H41 PolarHBondContact O-N 3.48Å; C38-C42 PolarHBondContact O-N 3.12Å; C38-C42 VanDerWaalsContact O-N 3.12Å; C38-C42 PolarHBondContact O-SG 3.2Å
39L96.3Very high93.9Very high0 Ų057.7 Ų57.70%029%0.286CS..Hα-helixtrans-65.9-33.9179.5-72.2172000112.5F23 L31 R35 L36 E37 H41 C42 F43 V57 E60 I61 L64F23-L39 HydrophobicContact CE1-CB 3.98Å; F23-L39 HydrophobicContact CZ-CB 4.18Å; L31-L39 HydrophobicContact CD1-CD1 3.66Å; R35-L39 HydrophobicContact CG-CD1 3.97Å; R35-L39 WeakPolarHBondContact O-CB 3.44Å; R35-L39 WeakPolarHBondContact O-CG 3.38Å; R35-L39 PolarHBondContact O-N 3.2Å; L36-L39 PolarHBondContact O-N 3.34Å; E37-L39 PolarHBondContact O-N 3.45Å; L39-H41 VanDerWaalsContact C-N 3.3Å; L39-H41 PolarHBondContact O-N 3.49Å; L39-C42 PolarHBondContact O-N 3.43Å; L39-F43 WeakPolarHBondContact O-CB 3.33Å; L39-F43 PolarHBondContact O-N 2.88Å; L39-V57 HydrophobicContact CD2-CG1 4.27Å; L39-E60 HydrophobicContact CD1-CG 4.12Å; L39-E60 WeakPolarHBondContact CD1-OE1 3.36Å; L39-E60 HydrophobicContact CD2-CG 4.37Å; L39-I61 HydrophobicContact CB-CG2 4.34Å; L39-I61 HydrophobicContact CD2-CG2 3.69Å; L39-L64 HydrophobicContact CD1-CD1 3.87Å
40S95.4Very high94Very high0 Ų057.6 Ų57.60%028%0.279CS..Hα-helixtrans-62.6-38.3177.180.40000112R20 L36 E37 C38 T44R20-S40 WeakPolarHBondContact CD-OG 3.5Å; R20-S40 WeakPolarHBondContact CG-OG 3.39Å; L36-S40 VanDerWaalsContact O-CB 3.29Å; L36-S40 WeakPolarHBondContact O-CB 3.29Å; L36-S40 PolarHBondContact O-N 3.23Å; E37-S40 WeakPolarHBondContact O-CB 3.47Å; E37-S40 PolarHBondContact O-N 2.92Å; E37-S40 PolarHBondContact O-OG 2.99Å; C38-S40 VanDerWaalsContact C-N 3.31Å; C38-S40 PolarHBondContact O-N 3.36Å; S40-T44 WeakPolarHBondContact O-CB 3.41Å; S40-T44 PolarHBondContact O-N 3.11Å; S40-T44 PolarHBondContact O-OG1 3.21Å
41H95.3Very high94.2Very high39 Ų3954.1 Ų54.118%0.18127%0.268CS..Hα-helixtrans-69-43.7173.6-71.6-62.6000111.7R9 E12 E37 C38 L39 F43 T44 N45R9-H41 PolarHBondContact NE-CE1 2.86Å; R9-H41 PolarHBondContact NE-NE2 3.37Å; R9-H41 PolarHBondContact NH2-NE2 2.88Å; E12-H41 IonicContact OE1-CE1 3.89Å; E37-H41 PolarHBondContact O-CD2 3.5Å; E37-H41 PolarHBondContact O-N 3.47Å; E37-H41 IonicContact OE1-NE2 2.69Å; C38-H41 PolarHBondContact O-N 3.48Å; L39-H41 VanDerWaalsContact C-N 3.3Å; L39-H41 PolarHBondContact O-N 3.49Å; H41-F43 VanDerWaalsContact C-N 3.34Å; H41-F43 PolarHBondContact O-N 2.76Å; H41-T44 PolarHBondContact O-N 3.48Å; H41-N45 WeakPolarHBondContact O-CB 3.39Å; H41-N45 PolarHBondContact O-N 2.96Å; H41-N45 PolarHBondContact O-ND2 3.13Å
42C96.3Very high94.3Very high14 Ų1460.6 Ų60.610%0.09529%0.294CS..Hα-helixtrans-58.7-45.9175.5-70.40000111.8C38 L39 N45 A46 Y53 V57 I61C38-C42 PolarHBondContact O-N 3.12Å; C38-C42 VanDerWaalsContact O-N 3.12Å; C38-C42 PolarHBondContact O-SG 3.2Å; L39-C42 PolarHBondContact O-N 3.43Å; C42-N45 PolarHBondContact O-N 3.04Å; C42-A46 VanDerWaalsContact O-CB 3.26Å; C42-A46 WeakPolarHBondContact O-CB 3.37Å; C42-A46 PolarHBondContact O-N 3.23Å; C42-Y53 HydrophobicContact CB-CD2 4Å; C42-Y53 HydrophobicContact CB-CE2 3.81Å; C42-Y53 HydrophobicContact CB-CG 4.49Å; C42-Y53 WeakPolarHBondContact O-CE2 3.3Å; C42-V57 HydrophobicContact CB-CG1 4.18Å; C42-I61 HydrophobicContact CB-CG2 4.06Å
43F95.9Very high94.4Very high5 Ų558 Ų582%0.02228%0.28CS..Hα-helixtrans-60.2-51176.4-179.5-103.3000111.1V19 F23 L39 H41 N45 A46 T47 I61 I68V19-F43 HydrophobicContact CG1-CD1 4.07Å; V19-F43 HydrophobicContact CG1-CE1 3.8Å; F23-F43 HydrophobicContact CB-CD1 3.8Å; F23-F43 HydrophobicContact CB-CE1 4.2Å; F23-F43 HydrophobicContact CB-CG 4.49Å; F23-F43 HydrophobicContact CD2-CB 3.8Å; F23-F43 AromaticContact CD2-CD1 3.49Å; F23-F43 HydrophobicContact CD2-CD1 3.49Å; F23-F43 VanDerWaalsContact CD2-CD1 3.49Å; F23-F43 AromaticContact CD2-CD2 3.84Å; F23-F43 HydrophobicContact CD2-CD2 3.84Å; F23-F43 AromaticContact CD2-CE1 3.97Å; F23-F43 HydrophobicContact CD2-CE1 3.97Å; F23-F43 HydrophobicContact CD2-CE2 4.29Å; F23-F43 AromaticContact CD2-CG 3.41Å; F23-F43 HydrophobicContact CD2-CG 3.41Å; F23-F43 VanDerWaalsContact CD2-CG 3.41Å; F23-F43 HydrophobicContact CD2-CZ 4.34Å; F23-F43 HydrophobicContact CE2-CB 3.88Å; F23-F43 HydrophobicContact CE2-CD1 4.32Å; F23-F43 AromaticContact CE2-CD2 3.92Å; F23-F43 HydrophobicContact CE2-CD2 3.92Å; F23-F43 AromaticContact CE2-CG 3.77Å; F23-F43 HydrophobicContact CE2-CG 3.77Å; F23-F43 HydrophobicContact CG-CB 4.2Å; F23-F43 AromaticContact CG-CD1 3.87Å; F23-F43 HydrophobicContact CG-CD1 3.87Å; F23-F43 HydrophobicContact CG-CE1 4.5Å; F23-F43 HydrophobicContact CG-CG 4.07Å; F23-F43 HydrophobicContact CZ-CB 4.34Å; L39-F43 WeakPolarHBondContact O-CB 3.33Å; L39-F43 PolarHBondContact O-N 2.88Å; H41-F43 VanDerWaalsContact C-N 3.34Å; H41-F43 PolarHBondContact O-N 2.76Å; F43-N45 VanDerWaalsContact C-N 3.31Å; F43-N45 PolarHBondContact O-N 2.91Å; F43-A46 PolarHBondContact O-N 3.16Å; F43-T47 WeakPolarHBondContact O-CB 3.26Å; F43-T47 PolarHBondContact O-N 3.14Å; F43-T47 PolarHBondContact O-OG1 3.05Å; F43-T47 VanDerWaalsContact O-OG1 3.05Å; F43-I61 HydrophobicContact CB-CB 4.23Å; F43-I61 HydrophobicContact CB-CG2 4.38Å; F43-I61 HydrophobicContact CD2-CB 4.24Å; F43-I68 HydrophobicContact CE1-CB 4.49Å; F43-I68 HydrophobicContact CE1-CG2 3.98Å; F43-I68 HydrophobicContact CZ-CB 4.2Å; F43-I68 HydrophobicContact CZ-CG2 4.12Å
44T94.8Very high94.7Very high4 Ų459.2 Ų59.23%0.02529%0.288CS..Hα-helixtrans-56.9-45.3179.2-55.30000111.7E16 R20 S40 H41 T47 L48E16-T44 HydrophobicContact CB-CG2 4.12Å; E16-T44 HydrophobicContact CG-CG2 4.19Å; R20-T44 WeakPolarHBondContact CB-OG1 3.49Å; S40-T44 WeakPolarHBondContact O-CB 3.41Å; S40-T44 PolarHBondContact O-N 3.11Å; S40-T44 PolarHBondContact O-OG1 3.21Å; H41-T44 PolarHBondContact O-N 3.48Å; T44-T47 PolarHBondContact O-N 3.49Å; T44-L48 HydrophobicContact CG2-CD1 3.79Å; T44-L48 HydrophobicContact CG2-CG 4.44Å; T44-L48 WeakPolarHBondContact O-CB 3.48Å; T44-L48 PolarHBondContact O-N 3.19Å
45N94.9Very high94.8Very high45 Ų4556.1 Ų56.124%0.24129%0.288CS..Hα-helixtrans-69.4-37.2179.4-68.8-17.2000112.9H41 C42 F43 Y49 K50 V51 Y53H41-N45 WeakPolarHBondContact O-CB 3.39Å; H41-N45 PolarHBondContact O-N 2.96Å; H41-N45 PolarHBondContact O-ND2 3.13Å; C42-N45 PolarHBondContact O-N 3.04Å; F43-N45 VanDerWaalsContact C-N 3.31Å; F43-N45 PolarHBondContact O-N 2.91Å; N45-Y49 HydrophobicContact CB-CD2 4.44Å; N45-Y49 CarbonylContact O-C 3.53Å; N45-Y49 WeakPolarHBondContact O-CA 3.42Å; N45-Y49 WeakPolarHBondContact O-CB 2.98Å; N45-Y49 PolarHBondContact O-N 2.88Å; N45-K50 PolarHBondContact O-N 3.45Å; N45-K50 VanDerWaalsContact O-N 3.14Å; N45-V51 HydrophobicContact CB-CB 4.16Å; N45-V51 HydrophobicContact CB-CG2 4.24Å; N45-V51 PolarHBondContact O-N 3.22Å; N45-Y53 HydrophobicContact CB-CE2 4.2Å; N45-Y53 VanDerWaalsContact CB-OH 3.3Å; N45-Y53 WeakPolarHBondContact CB-OH 3.18Å; N45-Y53 PolarHBondContact ND2-OH 2.75Å
46A95.3Very high94.9Very high16 Ų1660.2 Ų60.213%0.13231%0.308CS..Hα-helixtrans-66.7-41.2174.700000111.4C42 F43 K50 V51 M58 I61C42-A46 VanDerWaalsContact O-CB 3.26Å; C42-A46 WeakPolarHBondContact O-CB 3.37Å; C42-A46 PolarHBondContact O-N 3.23Å; F43-A46 PolarHBondContact O-N 3.16Å; A46-K50 VanDerWaalsContact O-CA 3.26Å; A46-K50 WeakPolarHBondContact O-CA 3.37Å; A46-K50 PolarHBondContact O-N 3.45Å; A46-V51 WeakPolarHBondContact CA-O 3.41Å; A46-M58 HydrophobicContact CB-CE 4.29Å; A46-I61 HydrophobicContact CB-CD1 3.84Å
47T91.9Very high94.9Very high24 Ų2461.4 Ų61.415%0.14732%0.315CS..Hα-helixtrans-73.1-50.4-178.3-58.70000112.1V19 F43 T44 K50V19-T47 HydrophobicContact CG1-CG2 4.4Å; F43-T47 WeakPolarHBondContact O-CB 3.26Å; F43-T47 PolarHBondContact O-N 3.14Å; F43-T47 PolarHBondContact O-OG1 3.05Å; F43-T47 VanDerWaalsContact O-OG1 3.05Å; T44-T47 PolarHBondContact O-N 3.49Å; T47-K50 WeakPolarHBondContact O-CE 3.37Å; T47-K50 PolarHBondContact O-NZ 3.3Å
48L92.2Very high95Very high58 Ų5860.3 Ų60.330%0.30431%0.311SS..Hα-helixtrans-85.5-42.2-173.3-62.8-179.1000113.1T15 E16 V19 T44T15-L48 HydrophobicContact CG2-CD1 4.31Å; T15-L48 HydrophobicContact CG2-CD2 4.1Å; E16-L48 HydrophobicContact CB-CD1 4.26Å; E16-L48 HydrophobicContact CG-CD1 3.62Å; V19-L48 HydrophobicContact CG2-CD1 4.34Å; V19-L48 HydrophobicContact CG2-CD2 4.06Å; V19-L48 HydrophobicContact CG2-CG 4.38Å; T44-L48 HydrophobicContact CG2-CD1 3.79Å; T44-L48 HydrophobicContact CG2-CG 4.44Å; T44-L48 WeakPolarHBondContact O-CB 3.48Å; T44-L48 PolarHBondContact O-N 3.19Å
49Y93.5Very high95Very high122 Ų12263.3 Ų63.348%0.47832%0.318SS..Hα-helixtrans-106.91.7-172.4-54.4-57.4000113.5E16 N45 V51E16-Y49 HydrophobicContact CG-CE2 4.5Å; E16-Y49 WeakPolarHBondContact OE1-CE2 3.46Å; E16-Y49 PolarHBondContact OE1-OH 3.22Å; N45-Y49 HydrophobicContact CB-CD2 4.44Å; N45-Y49 CarbonylContact O-C 3.53Å; N45-Y49 WeakPolarHBondContact O-CA 3.42Å; N45-Y49 WeakPolarHBondContact O-CB 2.98Å; N45-Y49 PolarHBondContact O-N 2.88Å; Y49-V51 PolarHBondContact O-N 2.59Å; Y49-V51 VanDerWaalsContact O-N 3.11Å
50K92.6Very high95Very high153 Ų15366.1 Ų66.167%0.66533%0.332SS*.  trans55.328.5-179.7-52.1-51.3-175.8-165.20113.2N45 A46 T47N45-K50 PolarHBondContact O-N 3.45Å; N45-K50 VanDerWaalsContact O-N 3.14Å; A46-K50 VanDerWaalsContact O-CA 3.26Å; A46-K50 WeakPolarHBondContact O-CA 3.37Å; A46-K50 PolarHBondContact O-N 3.45Å; T47-K50 WeakPolarHBondContact O-CE 3.37Å; T47-K50 PolarHBondContact O-NZ 3.3Å
51V95.3Very high95Very high56 Ų5666.1 Ų66.134%0.33933%0.332SS..  trans-67.9140.6175.6177.30000109.3N45 A46 Y49 Y53N45-V51 HydrophobicContact CB-CB 4.16Å; N45-V51 HydrophobicContact CB-CG2 4.24Å; N45-V51 PolarHBondContact O-N 3.22Å; A46-V51 WeakPolarHBondContact CA-O 3.41Å; Y49-V51 PolarHBondContact O-N 2.59Å; Y49-V51 VanDerWaalsContact O-N 3.11Å; V51-Y53 HydrophobicContact CB-CE2 4.23Å; V51-Y53 HydrophobicContact CG1-CD2 4.39Å; V51-Y53 HydrophobicContact CG1-CE1 4.22Å; V51-Y53 HydrophobicContact CG1-CE2 3.76Å
52K93.7Very high95Very high182 Ų18268.9 Ų68.979%0.79135%0.348SS*.  trans-108136175.5-63.3-175-179.6-178.90110.1
53Y94.8Very high94.9Very high65 Ų6573.9 Ų73.926%0.25537%0.373SS..  trans-110.9172.6174.2-65.2-78.1000109.7C42 N45 V51 V57 M58C42-Y53 HydrophobicContact CB-CD2 4Å; C42-Y53 HydrophobicContact CB-CE2 3.81Å; C42-Y53 HydrophobicContact CB-CG 4.49Å; C42-Y53 WeakPolarHBondContact O-CE2 3.3Å; N45-Y53 HydrophobicContact CB-CE2 4.2Å; N45-Y53 VanDerWaalsContact CB-OH 3.3Å; N45-Y53 WeakPolarHBondContact CB-OH 3.18Å; N45-Y53 PolarHBondContact ND2-OH 2.75Å; V51-Y53 HydrophobicContact CB-CE2 4.23Å; V51-Y53 HydrophobicContact CG1-CD2 4.39Å; V51-Y53 HydrophobicContact CG1-CE1 4.22Å; V51-Y53 HydrophobicContact CG1-CE2 3.76Å; Y53-V57 HydrophobicContact CG-CG1 4.28Å; Y53-M58 HydrophobicContact CD2-SD 4.05Å; Y53-M58 HydrophobicContact CG-SD 4.47Å; Y53-M58 PolarHBondContact N-SD 2.75Å; Y53-M58 WeakPolarHBondContact O-CG 3.38Å
54P97.2Very high94.8Very high94 Ų9474.9 Ų74.961%0.6138%0.378SS*.  trans-52.1147.1172.6-28.436.9000112.1K56 V57 M58P54-K56 PolarHBondContact O-N 3.4Å; P54-K56 VanDerWaalsContact O-N 3.08Å; P54-V57 WeakPolarHBondContact O-CA 3.04Å; P54-V57 WeakPolarHBondContact O-CB 3.48Å; P54-V57 PolarHBondContact O-N 2.88Å; P54-M58 PolarHBondContact O-N 3.34Å
55A95.5Very high94.7Very high82 Ų8274.9 Ų74.968%0.67838%0.379SS*.Hα-helixtrans-49.9-42.8-171.500000113.6V57 M58 E59A55-V57 VanDerWaalsContact C-N 3.32Å; A55-V57 PolarHBondContact O-N 3.26Å; A55-M58 PolarHBondContact O-N 2.91Å; A55-E59 WeakPolarHBondContact O-CB 3.48Å; A55-E59 PolarHBondContact O-N 2.81Å
56K95.9Very high94.6Very high174 Ų17480 Ų8076%0.75740%0.401SS*.Hα-helixtrans-59.5-40177.3-65.5-174.5178.2-177.80113.2P54 E60P54-K56 PolarHBondContact O-N 3.4Å; P54-K56 VanDerWaalsContact O-N 3.08Å; K56-E60 WeakPolarHBondContact O-CB 3.36Å; K56-E60 PolarHBondContact O-N 3.34Å; K56-E60 VanDerWaalsContact O-N 3.11Å
57V96.1Very high94.3Very high27 Ų2781.1 Ų81.116%0.16442%0.415CS..Hα-helixtrans-70.9-42178178.80000110L39 C42 Y53 P54 A55 E59 E60 I61L39-V57 HydrophobicContact CD2-CG1 4.27Å; C42-V57 HydrophobicContact CB-CG1 4.18Å; Y53-V57 HydrophobicContact CG-CG1 4.28Å; P54-V57 WeakPolarHBondContact O-CA 3.04Å; P54-V57 WeakPolarHBondContact O-CB 3.48Å; P54-V57 PolarHBondContact O-N 2.88Å; A55-V57 VanDerWaalsContact C-N 3.32Å; A55-V57 PolarHBondContact O-N 3.26Å; V57-E59 VanDerWaalsContact C-N 3.34Å; V57-E59 PolarHBondContact O-N 3.11Å; V57-E60 PolarHBondContact O-N 3.37Å; V57-I61 HydrophobicContact CG1-CG2 4.35Å; V57-I61 WeakPolarHBondContact O-CG1 3.3Å; V57-I61 WeakPolarHBondContact O-CG2 3.33Å; V57-I61 PolarHBondContact O-N 3.01Å
58M96.5Very high94Very high44 Ų4480.4 Ų80.422%0.21741%0.41CS..Hα-helixtrans-61.4-43177.3-65.9-59.7-57.900111.7A46 Y53 P54 A55 I61 N62A46-M58 HydrophobicContact CB-CE 4.29Å; Y53-M58 HydrophobicContact CD2-SD 4.05Å; Y53-M58 HydrophobicContact CG-SD 4.47Å; Y53-M58 PolarHBondContact N-SD 2.75Å; Y53-M58 WeakPolarHBondContact O-CG 3.38Å; P54-M58 PolarHBondContact O-N 3.34Å; A55-M58 PolarHBondContact O-N 2.91Å; M58-I61 HydrophobicContact CE-CD1 4.2Å; M58-I61 WeakPolarHBondContact O-CG1 3.41Å; M58-I61 HydrophobicContact SD-CD1 3.88Å; M58-N62 VanDerWaalsContact O-CB 3.29Å; M58-N62 WeakPolarHBondContact O-CB 3.5Å; M58-N62 PolarHBondContact O-N 3.35Å; M58-N62 PolarHBondContact O-ND2 3.14Å; M58-N62 VanDerWaalsContact O-ND2 3.09Å
59E96.3Very high93Very high126 Ų12682.9 Ų82.959%0.58942%0.42SS*.Hα-helixtrans-60.6-48175.3-176.1175.9-163.400111.3A55 V57 N62 L63A55-E59 WeakPolarHBondContact O-CB 3.48Å; A55-E59 PolarHBondContact O-N 2.81Å; V57-E59 VanDerWaalsContact C-N 3.34Å; V57-E59 PolarHBondContact O-N 3.11Å; E59-N62 PolarHBondContact O-N 2.66Å; E59-L63 HydrophobicContact CG-CD1 4.05Å; E59-L63 VanDerWaalsContact O-CG 3.3Å; E59-L63 WeakPolarHBondContact O-CG 3.33Å; E59-L63 PolarHBondContact O-N 3.34Å
60E95.8Very high91.6Very high59 Ų5984 Ų8428%0.27643%0.43SS..Hα-helixtrans-63.9-46.5-178.7-169.3174.1179.600112.7R35 L39 K56 V57 N62 L63 L64R35-E60 IonicContact CZ-OE2 3.23Å; R35-E60 IonicContact NE-OE1 2.66Å; R35-E60 IonicContact NE-OE2 3.22Å; R35-E60 IonicContact NH2-OE1 2.78Å; R35-E60 IonicContact NH2-OE2 2.81Å; R35-E60 PolarHBondContact NH2-OE2 3.32Å; L39-E60 HydrophobicContact CD1-CG 4.12Å; L39-E60 WeakPolarHBondContact CD1-OE1 3.36Å; L39-E60 HydrophobicContact CD2-CG 4.37Å; K56-E60 WeakPolarHBondContact O-CB 3.36Å; K56-E60 PolarHBondContact O-N 3.34Å; K56-E60 VanDerWaalsContact O-N 3.11Å; V57-E60 PolarHBondContact O-N 3.37Å; E60-N62 VanDerWaalsContact C-N 3.3Å; E60-N62 PolarHBondContact O-N 2.78Å; E60-L63 PolarHBondContact O-N 3.45Å; E60-L64 HydrophobicContact CG-CD1 3.88Å; E60-L64 WeakPolarHBondContact O-CB 3.35Å; E60-L64 WeakPolarHBondContact O-CD1 3.39Å; E60-L64 VanDerWaalsContact O-CG 3.26Å; E60-L64 WeakPolarHBondContact O-CG 3.48Å; E60-L64 PolarHBondContact O-N 3.46Å
61I95.7Very high90Very high0 Ų078.9 Ų78.90%042%0.416CS..Hα-helixtrans-67-31.4177.766.8-176000112.2L39 C42 F43 A46 V57 M58 G65L39-I61 HydrophobicContact CB-CG2 4.34Å; L39-I61 HydrophobicContact CD2-CG2 3.69Å; C42-I61 HydrophobicContact CB-CG2 4.06Å; F43-I61 HydrophobicContact CB-CB 4.23Å; F43-I61 HydrophobicContact CB-CG2 4.38Å; F43-I61 HydrophobicContact CD2-CB 4.24Å; A46-I61 HydrophobicContact CB-CD1 3.84Å; V57-I61 HydrophobicContact CG1-CG2 4.35Å; V57-I61 WeakPolarHBondContact O-CG1 3.3Å; V57-I61 WeakPolarHBondContact O-CG2 3.33Å; V57-I61 PolarHBondContact O-N 3.01Å; M58-I61 HydrophobicContact CE-CD1 4.2Å; M58-I61 WeakPolarHBondContact O-CG1 3.41Å; M58-I61 HydrophobicContact SD-CD1 3.88Å; I61-G65 WeakPolarHBondContact O-CA 3.11Å; I61-G65 PolarHBondContact O-N 3.31Å
62N94.1Very high88.6Confident97 Ų9777.2 Ų77.252%0.51941%0.405SS..Hα-helixtrans-70.1-45.2177.2-73.5-18.5000111M58 E59 E60 G65 E66M58-N62 VanDerWaalsContact O-CB 3.29Å; M58-N62 WeakPolarHBondContact O-CB 3.5Å; M58-N62 PolarHBondContact O-N 3.35Å; M58-N62 PolarHBondContact O-ND2 3.14Å; M58-N62 VanDerWaalsContact O-ND2 3.09Å; E59-N62 PolarHBondContact O-N 2.66Å; E60-N62 VanDerWaalsContact C-N 3.3Å; E60-N62 PolarHBondContact O-N 2.78Å; N62-G65 PolarHBondContact O-N 3.41Å; N62-E66 PolarHBondContact O-N 3.28Å; N62-E66 VanDerWaalsContact O-N 3.07Å
63L94.9Very high87Confident119 Ų11973 Ų7362%0.62339%0.394SS*.Hα-helixtrans-62.6-44176.8-70.1171.2000111.7E59 E60 G65E59-L63 HydrophobicContact CG-CD1 4.05Å; E59-L63 VanDerWaalsContact O-CG 3.3Å; E59-L63 WeakPolarHBondContact O-CG 3.33Å; E59-L63 PolarHBondContact O-N 3.34Å; E60-L63 PolarHBondContact O-N 3.45Å; L63-G65 VanDerWaalsContact C-N 3.33Å
64L94.4Very high84.9Confident26 Ų2673.3 Ų73.314%0.13641%0.406CS..Hα-helixtrans-73.2-29.4177.3-65.9168.5000112.3F23 K26 N27 L31 L39 E60F23-L64 HydrophobicContact CE2-CB 3.66Å; F23-L64 HydrophobicContact CZ-CB 3.63Å; F23-L64 HydrophobicContact CZ-CD1 4.02Å; K26-L64 WeakPolarHBondContact CD-O 3.5Å; K26-L64 WeakPolarHBondContact CE-O 3.28Å; K26-L64 PolarHBondContact NZ-O 3.15Å; N27-L64 PolarHBondContact ND2-O 3.33Å; N27-L64 WeakPolarHBondContact OD1-CD2 3.21Å; L31-L64 HydrophobicContact CD1-CD1 3.66Å; L39-L64 HydrophobicContact CD1-CD1 3.87Å; E60-L64 HydrophobicContact CG-CD1 3.88Å; E60-L64 WeakPolarHBondContact O-CB 3.35Å; E60-L64 WeakPolarHBondContact O-CD1 3.39Å; E60-L64 VanDerWaalsContact O-CG 3.26Å; E60-L64 WeakPolarHBondContact O-CG 3.48Å; E60-L64 PolarHBondContact O-N 3.46Å
65G93.2Very high82.7Confident4 Ų474.4 Ų74.44%0.04140%0.403CS..Hα-helixtrans-81.1-14.1-176.300000115.6I61 N62 L63 G67 I68I61-G65 WeakPolarHBondContact O-CA 3.11Å; I61-G65 PolarHBondContact O-N 3.31Å; N62-G65 PolarHBondContact O-N 3.41Å; L63-G65 VanDerWaalsContact C-N 3.33Å; G65-G67 PolarHBondContact O-N 2.69Å; G65-I68 WeakPolarHBondContact O-CB 3.14Å; G65-I68 PolarHBondContact O-N 3.26Å
66E91.8Very high80.6Confident151 Ų15175.5 Ų75.571%0.70639%0.394SS*.THydrogen-bonded Turntrans-51.7130.7-173.2-170.9177.9-156.500113.1K26 N62 I68K26-E66 PolarHBondContact NZ-O 3.42Å; N62-E66 PolarHBondContact O-N 3.28Å; N62-E66 VanDerWaalsContact O-N 3.07Å; E66-I68 PolarHBondContact O-N 3.27Å
67G88.2Confident78.4Confident41 Ų4171.7 Ų71.742%0.42339%0.389SS..THydrogen-bonded Turntrans75.8-5.4-179.600000116.1G65G65-G67 PolarHBondContact O-N 2.69Å
68I85.7Confident76.3Confident8 Ų878 Ų784%0.04141%0.414CS..Hα-helixtrans-74.9-37.3172.1-68.9163.7000110.9F23 K26 F43 G65 E66 E70 A71 I72F23-I68 HydrophobicContact CB-CD1 4.11Å; F23-I68 HydrophobicContact CD2-CD1 3.97Å; F23-I68 HydrophobicContact CG-CD1 4.43Å; K26-I68 HydrophobicContact CB-CD1 4.15Å; K26-I68 HydrophobicContact CD-CD1 3.62Å; K26-I68 HydrophobicContact CD-CG1 3.85Å; F43-I68 HydrophobicContact CE1-CB 4.49Å; F43-I68 HydrophobicContact CE1-CG2 3.98Å; F43-I68 HydrophobicContact CZ-CB 4.2Å; F43-I68 HydrophobicContact CZ-CG2 4.12Å; G65-I68 WeakPolarHBondContact O-CB 3.14Å; G65-I68 PolarHBondContact O-N 3.26Å; E66-I68 PolarHBondContact O-N 3.27Å; I68-E70 PolarHBondContact O-N 3.34Å; I68-A71 WeakPolarHBondContact O-CB 3.39Å; I68-A71 PolarHBondContact O-N 3.31Å; I68-A71 VanDerWaalsContact O-N 3.1Å; I68-I72 HydrophobicContact CG2-CD1 3.72Å; I68-I72 HydrophobicContact CG2-CG1 4.31Å; I68-I72 WeakPolarHBondContact O-CG1 3.37Å; I68-I72 PolarHBondContact O-N 3.09Å; I68-I72 VanDerWaalsContact O-N 3.13Å
69E70.9Confident74Confident110 Ų11081.8 Ų81.851%0.51444%0.435SS..Hα-helixtrans-61-35.8179.9-60.8-169.9137.400112.3I72 T73E69-I72 PolarHBondContact O-N 3.16Å; E69-T73 PolarHBondContact O-N 3.14Å; E69-T73 PolarHBondContact O-OG1 3.18Å; E69-T73 VanDerWaalsContact O-OG1 3.04Å
70E64.9Low71.9Confident145 Ų14580.7 Ų80.768%0.67844%0.441SS*.Hα-helixtrans-66.3-39.3175.3-64.1177.8179.700111.6I68 T73 C74I68-E70 PolarHBondContact O-N 3.34Å; E70-T73 PolarHBondContact O-OG1 3.19Å; E70-T73 VanDerWaalsContact O-OG1 3.13Å; E70-C74 WeakPolarHBondContact O-CB 3.22Å; E70-C74 PolarHBondContact O-N 3.03Å
71A59.7Low69.7Low46 Ų4682.8 Ų82.838%0.3846%0.463SS..Hα-helixtrans-65.4-41.2177.700000111.9I68 T73 C74 E75I68-A71 WeakPolarHBondContact O-CB 3.39Å; I68-A71 PolarHBondContact O-N 3.31Å; I68-A71 VanDerWaalsContact O-N 3.1Å; A71-T73 PolarHBondContact O-N 2.95Å; A71-C74 PolarHBondContact O-N 3.5Å; A71-E75 PolarHBondContact O-N 3.23Å
72I64.4Low67.4Low22 Ų2293.3 Ų93.311%0.11350%0.502CS..Hα-helixtrans-67-39.1-178.6-63158.2000111.5V19 I68 E69 Q76V19-I72 HydrophobicContact CB-CD1 4.07Å; V19-I72 HydrophobicContact CG1-CD1 3.87Å; V19-I72 HydrophobicContact CG2-CD1 3.63Å; V19-I72 HydrophobicContact CG2-CG1 4.3Å; V19-I72 HydrophobicContact CG2-CG2 4.36Å; I68-I72 HydrophobicContact CG2-CD1 3.72Å; I68-I72 HydrophobicContact CG2-CG1 4.31Å; I68-I72 WeakPolarHBondContact O-CG1 3.37Å; I68-I72 PolarHBondContact O-N 3.09Å; I68-I72 VanDerWaalsContact O-N 3.13Å; E69-I72 PolarHBondContact O-N 3.16Å; I72-Q76 WeakPolarHBondContact O-CG 3.38Å
73T60.2Low64.7Low92 Ų92103.8 Ų103.856%0.56454%0.535SS*.Hα-helixtrans-76.7-36.9178.549.80000112.3E69 E70 A71 E75 Q76E69-T73 PolarHBondContact O-N 3.14Å; E69-T73 PolarHBondContact O-OG1 3.18Å; E69-T73 VanDerWaalsContact O-OG1 3.04Å; E70-T73 PolarHBondContact O-OG1 3.19Å; E70-T73 VanDerWaalsContact O-OG1 3.13Å; A71-T73 PolarHBondContact O-N 2.95Å; T73-E75 PolarHBondContact O-N 3.09Å; T73-Q76 WeakPolarHBondContact O-CB 3.45Å; T73-Q76 PolarHBondContact O-N 2.76Å
74C50.8Low63.2Low73 Ų73103.1 Ų103.149%0.49353%0.53SS..Hα-helixtrans-65.1-34.7180-1690000113.1E70 A71E70-C74 WeakPolarHBondContact O-CB 3.22Å; E70-C74 PolarHBondContact O-N 3.03Å; A71-C74 PolarHBondContact O-N 3.5Å
75E50.7Low61.5Low117 Ų117107.1 Ų107.155%0.54755%0.551SS.*Hα-helixtrans-72.1-28.8176.6-78.9-165.791.900113.7A71 T73 S77 K78 N79A71-E75 PolarHBondContact O-N 3.23Å; T73-E75 PolarHBondContact O-N 3.09Å; E75-S77 VanDerWaalsContact C-N 3.3Å; E75-S77 PolarHBondContact O-N 3.2Å; E75-K78 PolarHBondContact O-N 2.78Å; E75-K78 VanDerWaalsContact O-N 3.15Å; E75-N79 PolarHBondContact O-N 3.21Å
76Q51.4Low59.8Low105 Ų105112.8 Ų112.849%0.49158%0.58SS.*Hα-helixtrans-62-39.6176.6-65.1-100.2-17.800111R18 I72 T73 K78 N79 S80R18-Q76 VanDerWaalsContact NH2-NE2 3.17Å; I72-Q76 WeakPolarHBondContact O-CG 3.38Å; T73-Q76 WeakPolarHBondContact O-CB 3.45Å; T73-Q76 PolarHBondContact O-N 2.76Å; Q76-K78 VanDerWaalsContact C-N 3.27Å; Q76-K78 PolarHBondContact O-N 2.54Å; Q76-N79 PolarHBondContact O-N 3.32Å; Q76-S80 PolarHBondContact O-N 3.4Å; Q76-S80 PolarHBondContact O-OG 3.5Å
77S50.9Low57.9Low94 Ų94110.6 Ų110.666%0.65757%0.572SS**Hα-helixtrans-65.8-26.4176.7-66.70000113.7E75E75-S77 VanDerWaalsContact C-N 3.3Å; E75-S77 PolarHBondContact O-N 3.2Å
78K52.2Low56Low158 Ų158114.9 Ų114.969%0.68758%0.582SS**Hα-helixtrans-79.7-29.2178.1-69.9-178.4-178.11700112.7E75 Q76E75-K78 PolarHBondContact O-N 2.78Å; E75-K78 VanDerWaalsContact O-N 3.15Å; Q76-K78 VanDerWaalsContact C-N 3.27Å; Q76-K78 PolarHBondContact O-N 2.54Å
79N48.3Very low54Low125 Ų125122.1 Ų122.167%0.66862%0.618SS**Hα-helixtrans-85.8-15.9-177.7-137.843.8000113.7E75 Q76 S81 R82E75-N79 PolarHBondContact O-N 3.21Å; Q76-N79 PolarHBondContact O-N 3.32Å; N79-S81 PolarHBondContact O-N 3.24Å; N79-S81 VanDerWaalsContact O-N 3.16Å; N79-R82 PolarHBondContact O-N 3.16Å
80S51.1Low52.8Low102 Ų102122.9 Ų122.971%0.71363%0.625SS**THydrogen-bonded Turntrans-68.4-4169.8-510000114.1Q76Q76-S80 PolarHBondContact O-N 3.4Å; Q76-S80 PolarHBondContact O-OG 3.5Å
81S51Low51.9Low104 Ų104121.2 Ų121.273%0.72762%0.621SS**THydrogen-bonded Turntrans-101.23.5178.2-92.50000115.7N79N79-S81 PolarHBondContact O-N 3.24Å; N79-S81 VanDerWaalsContact O-N 3.16Å
82R45.7Very low51.2Low220 Ų220127.5 Ų127.583%0.8364%0.641SS**  trans-123.886.5165.7-85.2178.7171.3177-3.3107.6N79N79-R82 PolarHBondContact O-N 3.16Å
83R38Very low50Low318 Ų318137.1 Ų137.1100%1.269%0.689SS**  64.50105-88.5-164.9-178.4-170.51.2112.3

Retrieved 83 of 83 residues in 39.4 ms (Link to these results)

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