A0A077ZLB3_TRITR Loading...

Sulfotransfer 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLB3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 131 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
1M67.4Low94.1Very high140 Ų14063.8 Ų63.869%0.6933%0.325SS*.  0132.30-167.4167.5-69.200108H8 H9 R12M1-H8 VanDerWaalsContact CE-NE2 3.26Å; M1-H8 WeakPolarHBondContact CE-NE2 3.3Å; M1-H8 PolarHBondContact SD-CD2 3.49Å; M1-H8 PolarHBondContact SD-NE2 3.27Å; M1-H9 PolarHBondContact SD-CE1 2.96Å; M1-R12 PolarHBondContact SD-NH1 2.95Å
2V91.8Very high94.4Very high51 Ų5169 Ų6931%0.30934%0.338SS..  trans-84.3130-174.5-177.10000109.5G4 H5 H9 Y101V2-G4 VanDerWaalsContact C-N 3.25Å; V2-G4 PolarHBondContact O-N 3.03Å; V2-H5 PolarHBondContact O-N 3.41Å; V2-H9 PolarHBondContact O-NE2 3.05Å; V2-Y101 WeakPolarHBondContact CG1-OH 3.41Å
3P95.8Very high94.6Very high108 Ų10875.8 Ų75.870%0.70136%0.358SS*.THydrogen-bonded Turntrans-60.9-29.5-177.2-26.935.6000114.8H5 H9P3-H5 PolarHBondContact O-N 2.89Å; P3-H9 PolarHBondContact O-CD2 3.06Å
4G96.8Very high94.9Very high9 Ų973.1 Ų73.19%0.09335%0.346CS..THydrogen-bonded Turntrans-74.3-0.5179.200000115.3V2 Y6V2-G4 VanDerWaalsContact C-N 3.25Å; V2-G4 PolarHBondContact O-N 3.03Å; G4-Y6 PolarHBondContact O-N 3.01Å
5H97.4Very high95Very high27 Ų2773.9 Ų73.913%0.12536%0.362CS..  trans-79.765.9174.7-64.5177.6000110.5V2 P3 S7 H8 H9 Y100 Y101 H104V2-H5 PolarHBondContact O-N 3.41Å; P3-H5 PolarHBondContact O-N 2.89Å; H5-S7 PolarHBondContact O-N 3.39Å; H5-H8 HydrophobicContact CB-CB 4.26Å; H5-H8 PolarHBondContact O-N 3.28Å; H5-H9 PolarHBondContact O-CD2 3.11Å; H5-H9 PolarHBondContact O-N 3.2Å; H5-Y100 PolarHBondContact CE1-OH 3.35Å; H5-Y100 AromaticContact NE2-CE1 3.78Å; H5-Y100 AromaticContact NE2-CZ 3.77Å; H5-Y100 PolarHBondContact NE2-OH 2.87Å; H5-Y100 VanDerWaalsContact NE2-OH 3.11Å; H5-Y101 AromaticContact CD2-CE1 3.93Å; H5-H104 AromaticContact CD2-CD2 3.75Å; H5-H104 AromaticContact CD2-CE1 3.7Å; H5-H104 AromaticContact CD2-CG 3.8Å; H5-H104 AromaticContact CD2-ND1 3.77Å; H5-H104 AromaticContact CD2-NE2 3.68Å; H5-H104 AromaticContact CE1-CE1 3.55Å; H5-H104 AromaticContact CE1-NE2 3.59Å; H5-H104 AromaticContact CG-CE1 3.94Å; H5-H104 AromaticContact CG-ND1 3.99Å; H5-H104 AromaticContact ND1-CE1 3.89Å; H5-H104 AromaticContact NE2-CD2 3.6Å; H5-H104 AromaticContact NE2-CE1 3.46Å; H5-H104 PolarHBondContact NE2-CE1 3.01Å; H5-H104 AromaticContact NE2-ND1 3.99Å; H5-H104 AromaticContact NE2-NE2 3.16Å; H5-H104 PolarHBondContact NE2-NE2 3.34Å; H5-H104 VanDerWaalsContact NE2-NE2 3.16Å
6Y97.9Very high95.2Very high117 Ų11778.6 Ų78.646%0.45938%0.383SS..Hα-helixtrans-56.5-45.9-167.4-59.3-44.9000114G4 H8 H9 L10 L108 W122G4-Y6 PolarHBondContact O-N 3.01Å; Y6-H8 PolarHBondContact O-N 2.77Å; Y6-H9 PolarHBondContact O-N 2.91Å; Y6-L10 VanDerWaalsContact O-CB 3.28Å; Y6-L10 WeakPolarHBondContact O-CB 3.41Å; Y6-L10 PolarHBondContact O-N 3.44Å; Y6-L108 HydrophobicContact CD2-CD2 3.8Å; Y6-L108 HydrophobicContact CG-CD2 4.28Å; Y6-W122 AromaticContact CD2-CH2 3.99Å; Y6-W122 HydrophobicContact CD2-CH2 3.99Å; Y6-W122 HydrophobicContact CD2-CZ2 4.45Å; Y6-W122 AromaticContact CE2-CH2 3.62Å; Y6-W122 HydrophobicContact CE2-CH2 3.62Å; Y6-W122 HydrophobicContact CE2-CZ2 4.06Å
7S97.5Very high95.4Very high10 Ų1079.2 Ų79.27%0.0738%0.384CS..Hα-helixtrans-58.7-48.3179.854.80000112H5 H9 L10 E11H5-S7 PolarHBondContact O-N 3.39Å; S7-H9 VanDerWaalsContact C-N 3.34Å; S7-H9 PolarHBondContact O-N 3.25Å; S7-L10 PolarHBondContact O-N 3.5Å; S7-E11 WeakPolarHBondContact O-CG 3.48Å; S7-E11 PolarHBondContact O-N 3.18Å
8H97Very high95.5Very high71 Ų7178.1 Ų78.133%0.32938%0.384SS..Hα-helixtrans-59.5-42.4179.217788.5000112.6M1 H5 Y6 R12M1-H8 VanDerWaalsContact CE-NE2 3.26Å; M1-H8 WeakPolarHBondContact CE-NE2 3.3Å; M1-H8 PolarHBondContact SD-CD2 3.49Å; M1-H8 PolarHBondContact SD-NE2 3.27Å; H5-H8 HydrophobicContact CB-CB 4.26Å; H5-H8 PolarHBondContact O-N 3.28Å; Y6-H8 PolarHBondContact O-N 2.77Å; H8-R12 VanDerWaalsContact NE2-CZ 3.27Å; H8-R12 PolarHBondContact NE2-NE 3.14Å; H8-R12 VanDerWaalsContact NE2-NE 3.14Å; H8-R12 PolarHBondContact NE2-NH2 3.01Å; H8-R12 WeakPolarHBondContact O-CG 3.25Å
9H98Very high95.6Very high51 Ų5175.3 Ų75.324%0.23637%0.374CS..Hα-helixtrans-71.2-39.6177.1-64.3-58000112M1 V2 P3 H5 Y6 S7 R12 W13M1-H9 PolarHBondContact SD-CE1 2.96Å; V2-H9 PolarHBondContact O-NE2 3.05Å; P3-H9 PolarHBondContact O-CD2 3.06Å; H5-H9 PolarHBondContact O-CD2 3.11Å; H5-H9 PolarHBondContact O-N 3.2Å; Y6-H9 PolarHBondContact O-N 2.91Å; S7-H9 VanDerWaalsContact C-N 3.34Å; S7-H9 PolarHBondContact O-N 3.25Å; H9-R12 WeakPolarHBondContact O-CB 3.45Å; H9-R12 PolarHBondContact O-N 3.31Å; H9-W13 VanDerWaalsContact O-CD1 3.3Å; H9-W13 PolarHBondContact O-N 2.67Å
10L97.6Very high95.6Very high22 Ų2280.2 Ų80.212%0.11539%0.393CS..Hα-helixtrans-65-40.1178.1-178.357.5000111.7Y6 S7 R12 W13 L14 I22 I24 L111 L112Y6-L10 VanDerWaalsContact O-CB 3.28Å; Y6-L10 WeakPolarHBondContact O-CB 3.41Å; Y6-L10 PolarHBondContact O-N 3.44Å; S7-L10 PolarHBondContact O-N 3.5Å; L10-R12 PolarHBondContact O-N 3.12Å; L10-W13 WeakPolarHBondContact O-CB 3.37Å; L10-W13 PolarHBondContact O-N 3.26Å; L10-W13 VanDerWaalsContact O-N 3.12Å; L10-L14 HydrophobicContact CD1-CD1 4.32Å; L10-L14 HydrophobicContact CD1-CG 4.35Å; L10-L14 HydrophobicContact CG-CD1 3.85Å; L10-L14 HydrophobicContact CG-CG 4.37Å; L10-L14 VanDerWaalsContact O-CG 3.31Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 3.31Å; L10-I22 HydrophobicContact CD1-CD1 4.41Å; L10-I22 HydrophobicContact CD1-CG2 4.28Å; L10-I24 HydrophobicContact CD1-CD1 4.44Å; L10-I24 HydrophobicContact CD2-CD1 3.69Å; L10-L111 HydrophobicContact CB-CD2 4.09Å; L10-L111 HydrophobicContact CD2-CD2 3.8Å; L10-L111 HydrophobicContact CD2-CG 4.37Å; L10-L111 HydrophobicContact CG-CD2 4.05Å; L10-L112 HydrophobicContact CD2-CD2 4.23Å
11E97.5Very high95.7Very high96 Ų9681.9 Ų81.945%0.44940%0.4SS..Hα-helixtrans-60.5-32.6176-75-171125.700113S7 L14 S15 L111 R114S7-E11 WeakPolarHBondContact O-CG 3.48Å; S7-E11 PolarHBondContact O-N 3.18Å; E11-L14 PolarHBondContact O-N 3.05Å; E11-S15 PolarHBondContact O-N 2.98Å; E11-L111 HydrophobicContact CG-CD1 4.19Å; E11-L111 HydrophobicContact CG-CD2 3.84Å; E11-R114 IonicContact OE1-NH2 3.99Å
12R97.5Very high97.1Very high126 Ų12676.7 Ų76.748%0.47538%0.375SS..Hα-helixtrans-65.6-44.9173.6-67.6169.5169.9-156.4-14.5111.8M1 H8 H9 L10 L14 S15 H16M1-R12 PolarHBondContact SD-NH1 2.95Å; H8-R12 VanDerWaalsContact NE2-CZ 3.27Å; H8-R12 PolarHBondContact NE2-NE 3.14Å; H8-R12 VanDerWaalsContact NE2-NE 3.14Å; H8-R12 PolarHBondContact NE2-NH2 3.01Å; H8-R12 WeakPolarHBondContact O-CG 3.25Å; H9-R12 WeakPolarHBondContact O-CB 3.45Å; H9-R12 PolarHBondContact O-N 3.31Å; L10-R12 PolarHBondContact O-N 3.12Å; R12-L14 VanDerWaalsContact C-N 3.29Å; R12-L14 PolarHBondContact O-N 3.39Å; R12-S15 WeakPolarHBondContact O-CB 3.49Å; R12-S15 PolarHBondContact O-N 3.14Å; R12-S15 PolarHBondContact O-OG 2.65Å; R12-H16 PolarHBondContact O-CD2 3.28Å
13W98.1Very high97.4Very high158 Ų15877.2 Ų77.260%0.59838%0.376SS*.Hα-helixtrans-61.4-41.5174.4-75.6103.3000111.3H9 L10 S15 H16 F17 I22H9-W13 VanDerWaalsContact O-CD1 3.3Å; H9-W13 PolarHBondContact O-N 2.67Å; L10-W13 WeakPolarHBondContact O-CB 3.37Å; L10-W13 PolarHBondContact O-N 3.26Å; L10-W13 VanDerWaalsContact O-N 3.12Å; W13-S15 PolarHBondContact O-N 2.95Å; W13-H16 PolarHBondContact O-N 3.23Å; W13-F17 AromaticContact CE3-CD2 3.79Å; W13-F17 HydrophobicContact CE3-CD2 3.79Å; W13-F17 AromaticContact CE3-CE2 3.69Å; W13-F17 HydrophobicContact CE3-CE2 3.69Å; W13-F17 HydrophobicContact CZ3-CD2 4.29Å; W13-F17 AromaticContact CZ3-CE2 3.73Å; W13-F17 HydrophobicContact CZ3-CE2 3.73Å; W13-F17 PolarHBondContact O-N 3.05Å; W13-I22 HydrophobicContact CB-CD1 4Å
14L97.7Very high97.4Very high38 Ų3874.8 Ų74.820%0.19936%0.356CS..Hα-helixtrans-67.2-18.6178.9-68.9165000114L10 E11 R12 H16 F17 A19 I22 L111 L115L10-L14 HydrophobicContact CD1-CD1 4.32Å; L10-L14 HydrophobicContact CD1-CG 4.35Å; L10-L14 HydrophobicContact CG-CD1 3.85Å; L10-L14 HydrophobicContact CG-CG 4.37Å; L10-L14 VanDerWaalsContact O-CG 3.31Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 3.31Å; E11-L14 PolarHBondContact O-N 3.05Å; R12-L14 VanDerWaalsContact C-N 3.29Å; R12-L14 PolarHBondContact O-N 3.39Å; L14-H16 PolarHBondContact O-N 3.46Å; L14-F17 WeakPolarHBondContact CA-O 3.27Å; L14-A19 HydrophobicContact CD2-CB 3.9Å; L14-I22 HydrophobicContact CD2-CD1 3.87Å; L14-I22 HydrophobicContact CG-CD1 4.26Å; L14-L111 HydrophobicContact CD1-CD1 4.22Å; L14-L115 HydrophobicContact CD1-CD1 3.41Å; L14-L115 VanDerWaalsContact CD1-CD1 3.41Å; L14-L115 HydrophobicContact CD1-CD2 4.38Å; L14-L115 HydrophobicContact CD2-CD1 4.25Å; L14-L115 HydrophobicContact CG-CD1 4.49Å
15S97.6Very high97.4Very high84 Ų8478.1 Ų78.159%0.58737%0.371SS*.THydrogen-bonded Turntrans-70.7-15.8171.177.30000113.5E11 R12 W13E11-S15 PolarHBondContact O-N 2.98Å; R12-S15 WeakPolarHBondContact O-CB 3.49Å; R12-S15 PolarHBondContact O-N 3.14Å; R12-S15 PolarHBondContact O-OG 2.65Å; W13-S15 PolarHBondContact O-N 2.95Å
16H98.3Very high97.3Very high149 Ų14977.8 Ų77.869%0.6937%0.37SS*.THydrogen-bonded Turntrans-118.6-31.1-178-63.2-65.7000113.5R12 W13 L14R12-H16 PolarHBondContact O-CD2 3.28Å; W13-H16 PolarHBondContact O-N 3.23Å; L14-H16 PolarHBondContact O-N 3.46Å
17F98.3Very high97.2Very high90 Ų9074.3 Ų74.340%0.39537%0.37SS..SBendtrans-123.6133.3-178-59-83.8000110.5W13 L14 I22W13-F17 AromaticContact CE3-CD2 3.79Å; W13-F17 HydrophobicContact CE3-CD2 3.79Å; W13-F17 AromaticContact CE3-CE2 3.69Å; W13-F17 HydrophobicContact CE3-CE2 3.69Å; W13-F17 HydrophobicContact CZ3-CD2 4.29Å; W13-F17 AromaticContact CZ3-CE2 3.73Å; W13-F17 HydrophobicContact CZ3-CE2 3.73Å; W13-F17 PolarHBondContact O-N 3.05Å; L14-F17 WeakPolarHBondContact CA-O 3.27Å; F17-I22 HydrophobicContact CB-CD1 4.22Å; F17-I22 HydrophobicContact CB-CG1 4.36Å
18P97Very high97Very high59 Ų5977.9 Ų77.938%0.38339%0.385SS..  trans-63.4148.9172.230.3-35.7000110.1K20 Q21P18-K20 HydrophobicContact CB-CG 4.26Å; P18-K20 HydrophobicContact CG-CG 4.2Å; P18-K20 PolarHBondContact O-N 3.36Å; P18-K20 VanDerWaalsContact O-N 3.1Å; P18-Q21 HydrophobicContact CG-CB 4.25Å; P18-Q21 HydrophobicContact CG-CG 3.9Å; P18-Q21 WeakPolarHBondContact O-CB 3.44Å; P18-Q21 PolarHBondContact O-N 3.26Å
19A96.7Very high96.9Very high24 Ų2478.6 Ų78.620%0.19839%0.389CS..G310 helixtrans-52.2-39.3-176.500000113.2L14 Q21 I22 L115 Y117L14-A19 HydrophobicContact CD2-CB 3.9Å; A19-Q21 PolarHBondContact O-N 2.85Å; A19-I22 PolarHBondContact O-N 3.1Å; A19-I22 VanDerWaalsContact O-O 3.08Å; A19-L115 HydrophobicContact CB-CB 4.42Å; A19-L115 HydrophobicContact CB-CD2 4.01Å; A19-Y117 HydrophobicContact CB-CE2 4.38Å; A19-Y117 PolarHBondContact O-OH 2.92Å
20K96.3Very high96.9Very high174 Ų17479.6 Ų79.676%0.75740%0.396SS*.G310 helixtrans-56.6-21.1176.169.1178.6-175.1173.60114.9P18 Y44P18-K20 HydrophobicContact CB-CG 4.26Å; P18-K20 HydrophobicContact CG-CG 4.2Å; P18-K20 PolarHBondContact O-N 3.36Å; P18-K20 VanDerWaalsContact O-N 3.1Å; K20-Y44 WeakPolarHBondContact O-CE2 3.36Å; K20-Y44 PolarHBondContact O-OH 2.94Å
21Q97.4Very high96.7Very high115 Ų11582.6 Ų82.654%0.53741%0.408SS..G310 helixtrans-93.68.8176.6-69-174.5-90.900113.4P18 A19 Y44P18-Q21 HydrophobicContact CG-CB 4.25Å; P18-Q21 HydrophobicContact CG-CG 3.9Å; P18-Q21 WeakPolarHBondContact O-CB 3.44Å; P18-Q21 PolarHBondContact O-N 3.26Å; A19-Q21 PolarHBondContact O-N 2.85Å; Q21-Y44 WeakPolarHBondContact CA-OH 3.37Å; Q21-Y44 PolarHBondContact O-OH 3.31Å; Q21-Y44 VanDerWaalsContact O-OH 3.14Å
22I97.8Very high96.6Very high31 Ų3183 Ų8316%0.15941%0.409CS..  trans-124.6123175.3-61.6167.8000108.3L10 W13 L14 F17 A19 I24 Y44 Y117L10-I22 HydrophobicContact CD1-CD1 4.41Å; L10-I22 HydrophobicContact CD1-CG2 4.28Å; W13-I22 HydrophobicContact CB-CD1 4Å; L14-I22 HydrophobicContact CD2-CD1 3.87Å; L14-I22 HydrophobicContact CG-CD1 4.26Å; F17-I22 HydrophobicContact CB-CD1 4.22Å; F17-I22 HydrophobicContact CB-CG1 4.36Å; A19-I22 PolarHBondContact O-N 3.1Å; A19-I22 VanDerWaalsContact O-O 3.08Å; I22-I24 HydrophobicContact CG2-CG1 4.24Å; I22-Y44 PolarHBondContact N-OH 3.48Å; I22-Y44 VanDerWaalsContact N-OH 3.14Å; I22-Y117 WeakPolarHBondContact O-CE1 3.5Å; I22-Y117 PolarHBondContact O-OH 2.87Å
23N96.7Very high96.5Very high62 Ų6281.9 Ų81.933%0.33241%0.409SS..  trans-101.1130.3169.4-170.424000109.9Y44N23-Y44 HydrophobicContact CB-CD1 3.59Å; N23-Y44 HydrophobicContact CB-CD2 3.87Å; N23-Y44 HydrophobicContact CB-CE1 3.61Å; N23-Y44 HydrophobicContact CB-CE2 3.89Å; N23-Y44 HydrophobicContact CB-CG 3.74Å
24I96.4Very high96.4Very high57 Ų5774.7 Ų74.729%0.29238%0.383SS..  trans-106.9121.1179.6-59.2177.8000108L10 I22 L112 Y117L10-I24 HydrophobicContact CD1-CD1 4.44Å; L10-I24 HydrophobicContact CD2-CD1 3.69Å; I22-I24 HydrophobicContact CG2-CG1 4.24Å; I24-L112 HydrophobicContact CD1-CD2 3.41Å; I24-L112 VanDerWaalsContact CD1-CD2 3.41Å; I24-Y117 HydrophobicContact CB-CD1 4.42Å; I24-Y117 HydrophobicContact CD1-CD1 4.17Å; I24-Y117 HydrophobicContact CD1-CD2 3.78Å; I24-Y117 HydrophobicContact CD1-CE1 4.15Å; I24-Y117 HydrophobicContact CD1-CE2 3.77Å; I24-Y117 HydrophobicContact CD1-CG 3.99Å; I24-Y117 HydrophobicContact CG1-CD1 4.32Å; I24-Y117 HydrophobicContact CG1-CE1 4.1Å
25I96.7Very high96.4Very high80 Ų8074.4 Ų74.441%0.4138%0.38SS..  trans-102.2130.2-177.5-64.3171.4000109.6G27 L30 V37 V41I25-G27 PolarHBondContact O-N 2.72Å; I25-L30 HydrophobicContact CG2-CB 4.18Å; I25-L30 HydrophobicContact CG2-CD2 4.34Å; I25-V37 HydrophobicContact CG1-CG1 4.43Å; I25-V37 HydrophobicContact CG2-CG1 3.5Å; I25-V41 HydrophobicContact CD1-CG2 3.69Å; I25-V41 HydrophobicContact CG1-CG2 4.21Å
26D95.5Very high96.3Very high20 Ų2071.8 Ų71.811%0.10737%0.366CS..  trans-70.7110.9168-172.7-18.4000109.5E28 Q29 L30 P120 S121D26-E28 VanDerWaalsContact C-N 3.29Å; D26-E28 PolarHBondContact O-N 3.08Å; D26-E28 WeakPolarHBondContact OD1-CB 3.39Å; D26-E28 PolarHBondContact OD1-N 3.04Å; D26-Q29 HydrophobicContact CB-CB 3.88Å; D26-Q29 PolarHBondContact O-N 2.99Å; D26-Q29 PolarHBondContact OD1-N 3.06Å; D26-L30 PolarHBondContact O-N 2.76Å; D26-P120 HydrophobicContact CB-CB 4.22Å; D26-P120 HydrophobicContact CB-CG 4.45Å; D26-P120 WeakPolarHBondContact OD2-CA 3.15Å; D26-P120 WeakPolarHBondContact OD2-CB 3.39Å; D26-S121 PolarHBondContact OD2-N 2.99Å
27G95.1Very high96.2Very high43 Ų4365 Ų6544%0.44334%0.335SS..Hα-helixtrans-64.5-30.1-179.900000113.9I25 K31I25-G27 PolarHBondContact O-N 2.72Å; G27-K31 WeakPolarHBondContact O-CB 3.47Å; G27-K31 PolarHBondContact O-N 2.88Å; G27-K31 VanDerWaalsContact O-N 3.16Å
28E94.6Very high96.2Very high86 Ų8662.9 Ų62.940%0.40233%0.327SS..Hα-helixtrans-72.2-40.3175.1-73.6-63.6113.200110.2D26 K31 H32 W122D26-E28 VanDerWaalsContact C-N 3.29Å; D26-E28 PolarHBondContact O-N 3.08Å; D26-E28 WeakPolarHBondContact OD1-CB 3.39Å; D26-E28 PolarHBondContact OD1-N 3.04Å; E28-K31 PolarHBondContact O-N 3.46Å; E28-H32 PolarHBondContact O-N 2.75Å; E28-H32 PolarHBondContact O-ND1 2.87Å; E28-H32 IonicContact OE2-CE1 3.95Å; E28-H32 PolarHBondContact OE2-CE1 3.18Å; E28-H32 VanDerWaalsContact OE2-CE1 3.29Å; E28-H32 IonicContact OE2-ND1 3.5Å; E28-W122 HydrophobicContact CG-CB 4.29Å
29Q95.1Very high96.2Very high85 Ų8562.1 Ų62.140%0.39732%0.323SS..Hα-helixtrans-64.5-45.1174.3-165.4-176.424.200111.3D26 K31 H32 E33 V37D26-Q29 HydrophobicContact CB-CB 3.88Å; D26-Q29 PolarHBondContact O-N 2.99Å; D26-Q29 PolarHBondContact OD1-N 3.06Å; Q29-K31 PolarHBondContact O-N 2.88Å; Q29-H32 PolarHBondContact O-N 2.92Å; Q29-E33 CarbonylContact O-C 3.26Å; Q29-E33 VanDerWaalsContact O-C 3.26Å; Q29-E33 WeakPolarHBondContact O-CA 3.3Å; Q29-E33 PolarHBondContact O-N 3.3Å; Q29-V37 HydrophobicContact CB-CG2 3.97Å; Q29-V37 HydrophobicContact CG-CG2 3.7Å
30L96.4Very high96.1Very high73 Ų7363.5 Ų63.538%0.38234%0.335SS..Hα-helixtrans-58-35.8177.7177.561.8000112.2I25 D26 P34 V37I25-L30 HydrophobicContact CG2-CB 4.18Å; I25-L30 HydrophobicContact CG2-CD2 4.34Å; D26-L30 PolarHBondContact O-N 2.76Å; L30-P34 HydrophobicContact CD1-CB 4.11Å; L30-P34 WeakPolarHBondContact O-CB 2.8Å; L30-V37 HydrophobicContact CB-CG1 4.34Å; L30-V37 HydrophobicContact CB-CG2 4.35Å; L30-V37 HydrophobicContact CD1-CB 4.26Å; L30-V37 HydrophobicContact CD1-CG1 3.96Å
31K95.1Very high96.2Very high84 Ų8456.4 Ų56.437%0.36531%0.306SS..Hα-helixtrans-69.6-43178.5176.8-176.1166.7-157.60112.6G27 E28 Q29 F65G27-K31 WeakPolarHBondContact O-CB 3.47Å; G27-K31 PolarHBondContact O-N 2.88Å; G27-K31 VanDerWaalsContact O-N 3.16Å; E28-K31 PolarHBondContact O-N 3.46Å; Q29-K31 PolarHBondContact O-N 2.88Å; K31-F65 HydrophobicContact CD-CE1 4.09Å; K31-F65 HydrophobicContact CG-CD1 4.12Å; K31-F65 HydrophobicContact CG-CE1 3.91Å
32H94.4Very high96.2Very high104 Ų10451.1 Ų51.148%0.48128%0.282SS..Hα-helixtrans-96.6-29.3-171.1-6099.7000113.9E28 Q29 Y66E28-H32 PolarHBondContact O-N 2.75Å; E28-H32 PolarHBondContact O-ND1 2.87Å; E28-H32 IonicContact OE2-CE1 3.95Å; E28-H32 PolarHBondContact OE2-CE1 3.18Å; E28-H32 VanDerWaalsContact OE2-CE1 3.29Å; E28-H32 IonicContact OE2-ND1 3.5Å; Q29-H32 PolarHBondContact O-N 2.92Å; H32-Y66 WeakPolarHBondContact O-CE2 3.01Å; H32-Y66 PolarHBondContact O-OH 3.26Å
33E94.9Very high96.2Very high103 Ų10354.2 Ų54.248%0.48130%0.298SS..  trans-143.968.3-177.5-165.1-166.8159.400110.5Q29 F35Q29-E33 CarbonylContact O-C 3.26Å; Q29-E33 VanDerWaalsContact O-C 3.26Å; Q29-E33 WeakPolarHBondContact O-CA 3.3Å; Q29-E33 PolarHBondContact O-N 3.3Å; E33-F35 PolarHBondContact O-N 2.82Å
34P97.2Very high96.2Very high7 Ų755.2 Ų55.25%0.04530%0.298CS..Hα-helixtrans-64.7-24.4-175.825.5-34.8000113.3L30 V37 M38 L57 Y66L30-P34 HydrophobicContact CD1-CB 4.11Å; L30-P34 WeakPolarHBondContact O-CB 2.8Å; P34-V37 PolarHBondContact O-N 3.09Å; P34-M38 WeakPolarHBondContact O-CB 3.37Å; P34-M38 VanDerWaalsContact O-CG 3.22Å; P34-M38 WeakPolarHBondContact O-CG 3.46Å; P34-M38 PolarHBondContact O-N 3.13Å; P34-L57 HydrophobicContact CB-CD1 3.79Å; P34-L57 HydrophobicContact CG-CD1 3.75Å; P34-Y66 VanDerWaalsContact CD-CD2 3.46Å; P34-Y66 VanDerWaalsContact CD-CE2 3.46Å; P34-Y66 HydrophobicContact CG-CD1 3.91Å; P34-Y66 HydrophobicContact CG-CD2 3.63Å; P34-Y66 HydrophobicContact CG-CE1 4.35Å; P34-Y66 HydrophobicContact CG-CE2 4.09Å; P34-Y66 HydrophobicContact CG-CG 3.52Å
35F96.2Very high96.3Very high33 Ų3357 Ų5715%0.14531%0.308CS..Hα-helixtrans-61.3-50.2-174.5-42.9-76.1000112.1E33 M38 S39 Y53 N54 L57 Y66E33-F35 PolarHBondContact O-N 2.82Å; F35-M38 PolarHBondContact O-N 2.95Å; F35-S39 PolarHBondContact O-N 3.3Å; F35-S39 PolarHBondContact O-OG 3.19Å; F35-Y53 VanDerWaalsContact CD1-C 3.49Å; F35-Y53 WeakPolarHBondContact CD1-O 3.27Å; F35-Y53 WeakPolarHBondContact CE1-O 3.26Å; F35-N54 HydrophobicContact CD1-CB 4.32Å; F35-N54 HydrophobicContact CE1-CB 4.5Å; F35-N54 WeakPolarHBondContact CG-OD1 3.39Å; F35-L57 HydrophobicContact CD1-CB 4.12Å; F35-L57 HydrophobicContact CD1-CD1 4.18Å; F35-L57 HydrophobicContact CE1-CB 3.52Å; F35-L57 HydrophobicContact CE1-CD1 4.38Å; F35-L57 HydrophobicContact CZ-CB 4.31Å; F35-Y66 HydrophobicContact CE1-CE1 4.42Å; F35-Y66 HydrophobicContact CE2-CD1 4.32Å; F35-Y66 AromaticContact CE2-CE1 3.52Å; F35-Y66 HydrophobicContact CE2-CE1 3.52Å; F35-Y66 AromaticContact CE2-CZ 3.91Å; F35-Y66 AromaticContact CZ-CD1 3.88Å; F35-Y66 HydrophobicContact CZ-CD1 3.88Å; F35-Y66 AromaticContact CZ-CE1 3.38Å; F35-Y66 HydrophobicContact CZ-CE1 3.38Å
36G95.4Very high96.3Very high28 Ų2860.8 Ų60.829%0.28932%0.323SS..Hα-helixtrans-63.4-41.9178.600000112M38 S39 A40G36-M38 PolarHBondContact O-N 3.17Å; G36-S39 PolarHBondContact O-N 3.38Å; G36-A40 PolarHBondContact O-N 3.39Å
37V97.2Very high96.4Very high7 Ų763.7 Ų63.74%0.04234%0.339CS..Hα-helixtrans-60.6-46175.2177.70000111.2I25 Q29 L30 P34 S39 A40 V41I25-V37 HydrophobicContact CG1-CG1 4.43Å; I25-V37 HydrophobicContact CG2-CG1 3.5Å; Q29-V37 HydrophobicContact CB-CG2 3.97Å; Q29-V37 HydrophobicContact CG-CG2 3.7Å; L30-V37 HydrophobicContact CB-CG1 4.34Å; L30-V37 HydrophobicContact CB-CG2 4.35Å; L30-V37 HydrophobicContact CD1-CB 4.26Å; L30-V37 HydrophobicContact CD1-CG1 3.96Å; P34-V37 PolarHBondContact O-N 3.09Å; V37-S39 PolarHBondContact O-N 3.16Å; V37-A40 PolarHBondContact O-N 3.04Å; V37-V41 HydrophobicContact CG1-CG2 4.4Å; V37-V41 VanDerWaalsContact O-CG2 3.27Å; V37-V41 WeakPolarHBondContact O-CG2 3.46Å; V37-V41 PolarHBondContact O-N 2.92Å
38M97.8Very high96.4Very high45 Ų4569.1 Ų69.122%0.22235%0.352CS..Hα-helixtrans-67-35.7179.4-68.8-52.7-65.300112.3P34 F35 G36 V41 Q42 Y53P34-M38 WeakPolarHBondContact O-CB 3.37Å; P34-M38 VanDerWaalsContact O-CG 3.22Å; P34-M38 WeakPolarHBondContact O-CG 3.46Å; P34-M38 PolarHBondContact O-N 3.13Å; F35-M38 PolarHBondContact O-N 2.95Å; G36-M38 PolarHBondContact O-N 3.17Å; M38-V41 PolarHBondContact O-N 3.39Å; M38-Q42 VanDerWaalsContact O-CG 3.27Å; M38-Q42 WeakPolarHBondContact O-CG 2.96Å; M38-Q42 PolarHBondContact O-N 3.43Å; M38-Q42 PolarHBondContact O-NE2 3.49Å; M38-Y53 HydrophobicContact CB-CD1 4.22Å; M38-Y53 HydrophobicContact CB-CD2 3.43Å; M38-Y53 VanDerWaalsContact CB-CD2 3.43Å; M38-Y53 HydrophobicContact CB-CE1 4.45Å; M38-Y53 HydrophobicContact CB-CE2 3.71Å; M38-Y53 HydrophobicContact CB-CG 3.71Å; M38-Y53 HydrophobicContact CE-CE1 3.73Å; M38-Y53 HydrophobicContact CE-CE2 3.85Å; M38-Y53 VanDerWaalsContact CE-OH 3.25Å; M38-Y53 WeakPolarHBondContact CE-OH 3.43Å; M38-Y53 HydrophobicContact CG-CD1 4.06Å; M38-Y53 HydrophobicContact CG-CD2 4.17Å; M38-Y53 HydrophobicContact CG-CE1 4.2Å; M38-Y53 HydrophobicContact CG-CE2 4.31Å; M38-Y53 HydrophobicContact CG-CG 4.04Å
39S96.7Very high96.4Very high43 Ų4370.8 Ų70.830%0.30137%0.37SS..Hα-helixtrans-60.6-50.1170.9-63.70000111.4F35 G36 V37 V41 Q42 D43F35-S39 PolarHBondContact O-N 3.3Å; F35-S39 PolarHBondContact O-OG 3.19Å; G36-S39 PolarHBondContact O-N 3.38Å; V37-S39 PolarHBondContact O-N 3.16Å; S39-V41 VanDerWaalsContact C-N 3.28Å; S39-V41 PolarHBondContact O-N 3.09Å; S39-Q42 WeakPolarHBondContact O-CB 3.37Å; S39-Q42 PolarHBondContact O-N 3.3Å; S39-D43 PolarHBondContact O-N 3.24Å
40A96.2Very high96.5Very high54 Ų5471.2 Ų71.245%0.44637%0.373SS..Hα-helixtrans-61.6-34.8177.800000113G36 V37 Y44G36-A40 PolarHBondContact O-N 3.39Å; V37-A40 PolarHBondContact O-N 3.04Å; A40-Y44 VanDerWaalsContact O-CB 3.3Å; A40-Y44 WeakPolarHBondContact O-CB 3.32Å; A40-Y44 PolarHBondContact O-N 2.97Å
41V97.6Very high96.4Very high25 Ų2571.4 Ų71.415%0.15237%0.374CS..Hα-helixtrans-67-40.1173.4169.50000111.5I25 V37 M38 S39 Y44 L45I25-V41 HydrophobicContact CD1-CG2 3.69Å; I25-V41 HydrophobicContact CG1-CG2 4.21Å; V37-V41 HydrophobicContact CG1-CG2 4.4Å; V37-V41 VanDerWaalsContact O-CG2 3.27Å; V37-V41 WeakPolarHBondContact O-CG2 3.46Å; V37-V41 PolarHBondContact O-N 2.92Å; M38-V41 PolarHBondContact O-N 3.39Å; S39-V41 VanDerWaalsContact C-N 3.28Å; S39-V41 PolarHBondContact O-N 3.09Å; V41-Y44 PolarHBondContact O-N 2.9Å; V41-L45 HydrophobicContact CG1-CD1 3.88Å; V41-L45 HydrophobicContact CG1-CG 4.49Å; V41-L45 WeakPolarHBondContact O-CB 3.32Å; V41-L45 VanDerWaalsContact O-CG 3.3Å; V41-L45 WeakPolarHBondContact O-CG 3.46Å; V41-L45 PolarHBondContact O-N 3.31Å
42Q98.3Very high96.3Very high4 Ų470.7 Ų70.72%0.01937%0.374CS..Hα-helixtrans-64.9-42.3175.9-71.6178.3111.100111.7M38 S39 L45 E46 L47 I51 Y53M38-Q42 VanDerWaalsContact O-CG 3.27Å; M38-Q42 WeakPolarHBondContact O-CG 2.96Å; M38-Q42 PolarHBondContact O-N 3.43Å; M38-Q42 PolarHBondContact O-NE2 3.49Å; S39-Q42 WeakPolarHBondContact O-CB 3.37Å; S39-Q42 PolarHBondContact O-N 3.3Å; Q42-L45 CarbonylContact O-C 3.54Å; Q42-L45 PolarHBondContact O-N 3.26Å; Q42-E46 PolarHBondContact O-N 3.29Å; Q42-L47 HydrophobicContact CB-CB 4.29Å; Q42-L47 HydrophobicContact CG-CB 4.48Å; Q42-L47 HydrophobicContact CG-CD1 4.17Å; Q42-L47 PolarHBondContact O-N 3.31Å; Q42-I51 PolarHBondContact NE2-O 2.87Å; Q42-I51 VanDerWaalsContact NE2-O 3.11Å; Q42-I51 VanDerWaalsContact OE1-CB 3.28Å; Q42-Y53 HydrophobicContact CG-CE2 4.4Å
43D97.2Very high96.4Very high95 Ų9567.9 Ų67.951%0.50836%0.36SS..Hα-helixtrans-58.1-50.5173.2-77.6-40.7000111.4S39 L45 E46 M50S39-D43 PolarHBondContact O-N 3.24Å; D43-L45 PolarHBondContact O-N 3.14Å; D43-E46 PolarHBondContact O-N 3.19Å; D43-M50 WeakPolarHBondContact OD1-CE 3.22Å
44Y97.2Very high96.3Very high84 Ų8467.7 Ų67.733%0.32936%0.362SS..Hα-helixtrans-58-35.9179176-97.4000113.1K20 Q21 I22 N23 A40 V41K20-Y44 WeakPolarHBondContact O-CE2 3.36Å; K20-Y44 PolarHBondContact O-OH 2.94Å; Q21-Y44 WeakPolarHBondContact CA-OH 3.37Å; Q21-Y44 PolarHBondContact O-OH 3.31Å; Q21-Y44 VanDerWaalsContact O-OH 3.14Å; I22-Y44 PolarHBondContact N-OH 3.48Å; I22-Y44 VanDerWaalsContact N-OH 3.14Å; N23-Y44 HydrophobicContact CB-CD1 3.59Å; N23-Y44 HydrophobicContact CB-CD2 3.87Å; N23-Y44 HydrophobicContact CB-CE1 3.61Å; N23-Y44 HydrophobicContact CB-CE2 3.89Å; N23-Y44 HydrophobicContact CB-CG 3.74Å; A40-Y44 VanDerWaalsContact O-CB 3.3Å; A40-Y44 WeakPolarHBondContact O-CB 3.32Å; A40-Y44 PolarHBondContact O-N 2.97Å; V41-Y44 PolarHBondContact O-N 2.9Å
45L97.9Very high96.1Very high94 Ų9474 Ų7449%0.49239%0.391SS..THydrogen-bonded Turntrans-90.61.5179.4-66.8176000113.5V41 Q42 D43 L47V41-L45 HydrophobicContact CG1-CD1 3.88Å; V41-L45 HydrophobicContact CG1-CG 4.49Å; V41-L45 WeakPolarHBondContact O-CB 3.32Å; V41-L45 VanDerWaalsContact O-CG 3.3Å; V41-L45 WeakPolarHBondContact O-CG 3.46Å; V41-L45 PolarHBondContact O-N 3.31Å; Q42-L45 CarbonylContact O-C 3.54Å; Q42-L45 PolarHBondContact O-N 3.26Å; D43-L45 PolarHBondContact O-N 3.14Å; L45-L47 HydrophobicContact CB-CD1 4.06Å; L45-L47 HydrophobicContact CB-CD2 4.3Å; L45-L47 HydrophobicContact CB-CG 3.71Å; L45-L47 HydrophobicContact CD1-CD1 4.06Å; L45-L47 PolarHBondContact O-N 2.88Å
46E97.4Very high96Very high159 Ų15975.2 Ų75.274%0.74340%0.399SS*.THydrogen-bonded Turntrans55.234.5-177.2-57.2178.2-173.200113.6Q42 D43 H48Q42-E46 PolarHBondContact O-N 3.29Å; D43-E46 PolarHBondContact O-N 3.19Å; E46-H48 PolarHBondContact O-N 3.21Å; E46-H48 PolarHBondContact O-ND1 3.38Å
47L97.3Very high96Very high81 Ų8175 Ų7542%0.42439%0.391SS..  trans-76.4125.1-175.5-64178.5000112.4Q42 L45Q42-L47 HydrophobicContact CB-CB 4.29Å; Q42-L47 HydrophobicContact CG-CB 4.48Å; Q42-L47 HydrophobicContact CG-CD1 4.17Å; Q42-L47 PolarHBondContact O-N 3.31Å; L45-L47 HydrophobicContact CB-CD1 4.06Å; L45-L47 HydrophobicContact CB-CD2 4.3Å; L45-L47 HydrophobicContact CB-CG 3.71Å; L45-L47 HydrophobicContact CD1-CD1 4.06Å; L45-L47 PolarHBondContact O-N 2.88Å
48H94.7Very high95.9Very high157 Ų15777.2 Ų77.273%0.72741%0.405SS*.SBendtrans-134.9135176.7-64.784.2000110.9E46E46-H48 PolarHBondContact O-N 3.21Å; E46-H48 PolarHBondContact O-ND1 3.38Å
49P95.2Very high95.8Very high121 Ų12180.3 Ų80.379%0.78642%0.417SS*.SBendcis-72151.3-4.532-35.5000112.1
50M95.3Very high95.7Very high94 Ų9480.8 Ų80.846%0.46342%0.416SS..PPolyproline II helixtrans-66.2135.4173-71.8-175.9176.300111.2D43D43-M50 WeakPolarHBondContact OD1-CE 3.22Å
51I94.7Very high95.5Very high78 Ų7882.2 Ų82.240%0.443%0.428SS..PPolyproline II helixtrans-83.8126.2173.7-57.8173.9000108.6Q42 Y53 L56Q42-I51 PolarHBondContact NE2-O 2.87Å; Q42-I51 VanDerWaalsContact NE2-O 3.11Å; Q42-I51 VanDerWaalsContact OE1-CB 3.28Å; I51-Y53 HydrophobicContact CB-CD2 4.26Å; I51-Y53 HydrophobicContact CB-CE2 3.87Å; I51-Y53 HydrophobicContact CG2-CD2 4.22Å; I51-Y53 HydrophobicContact CG2-CE2 4.03Å; I51-Y53 WeakPolarHBondContact O-CD2 3.42Å; I51-Y53 PolarHBondContact O-N 3.44Å; I51-L56 HydrophobicContact CG2-CD1 3.32Å; I51-L56 HydrophobicContact CG2-CG 4.43Å
52N94.3Very high95.3Very high69 Ų6990.4 Ų90.437%0.36946%0.462SS..  trans-78.389.4173.5-171.95.5000110.7N54 E55N52-N54 PolarHBondContact O-N 3.34Å; N52-N54 VanDerWaalsContact O-N 3.13Å; N52-N54 VanDerWaalsContact OD1-CB 3.27Å; N52-N54 WeakPolarHBondContact OD1-CB 3.27Å; N52-N54 PolarHBondContact OD1-N 2.03Å; N52-N54 VanDerWaalsContact OD1-N 3.16Å; N52-N54 PolarHBondContact OD1-ND2 2.75Å; N52-E55 PolarHBondContact ND2-OE1 3.21Å; N52-E55 PolarHBondContact O-N 2.99Å; N52-E55 VanDerWaalsContact O-N 3.09Å
53Y95.4Very high95Very high45 Ų4592.2 Ų92.218%0.17647%0.47CS..Hα-helixtrans-62.7-18178.2-77.6-86.6000113.4F35 M38 Q42 I51 E55 L56 L57F35-Y53 VanDerWaalsContact CD1-C 3.49Å; F35-Y53 WeakPolarHBondContact CD1-O 3.27Å; F35-Y53 WeakPolarHBondContact CE1-O 3.26Å; M38-Y53 HydrophobicContact CB-CD1 4.22Å; M38-Y53 HydrophobicContact CB-CD2 3.43Å; M38-Y53 VanDerWaalsContact CB-CD2 3.43Å; M38-Y53 HydrophobicContact CB-CE1 4.45Å; M38-Y53 HydrophobicContact CB-CE2 3.71Å; M38-Y53 HydrophobicContact CB-CG 3.71Å; M38-Y53 HydrophobicContact CE-CE1 3.73Å; M38-Y53 HydrophobicContact CE-CE2 3.85Å; M38-Y53 VanDerWaalsContact CE-OH 3.25Å; M38-Y53 WeakPolarHBondContact CE-OH 3.43Å; M38-Y53 HydrophobicContact CG-CD1 4.06Å; M38-Y53 HydrophobicContact CG-CD2 4.17Å; M38-Y53 HydrophobicContact CG-CE1 4.2Å; M38-Y53 HydrophobicContact CG-CE2 4.31Å; M38-Y53 HydrophobicContact CG-CG 4.04Å; Q42-Y53 HydrophobicContact CG-CE2 4.4Å; I51-Y53 HydrophobicContact CB-CD2 4.26Å; I51-Y53 HydrophobicContact CB-CE2 3.87Å; I51-Y53 HydrophobicContact CG2-CD2 4.22Å; I51-Y53 HydrophobicContact CG2-CE2 4.03Å; I51-Y53 WeakPolarHBondContact O-CD2 3.42Å; I51-Y53 PolarHBondContact O-N 3.44Å; Y53-E55 PolarHBondContact O-N 2.83Å; Y53-L56 PolarHBondContact O-N 3.34Å; Y53-L57 HydrophobicContact CD1-CD1 3.94Å; Y53-L57 HydrophobicContact CD1-CG 4.15Å; Y53-L57 HydrophobicContact CG-CD1 4.42Å; Y53-L57 WeakPolarHBondContact O-CB 3.28Å; Y53-L57 PolarHBondContact O-N 3.16Å
54N93.4Very high94.8Very high99 Ų9989.3 Ų89.353%0.52946%0.462SS..Hα-helixtrans-62.3-28.6174-63.2-81000112.4F35 N52F35-N54 HydrophobicContact CD1-CB 4.32Å; F35-N54 HydrophobicContact CE1-CB 4.5Å; F35-N54 WeakPolarHBondContact CG-OD1 3.39Å; N52-N54 PolarHBondContact O-N 3.34Å; N52-N54 VanDerWaalsContact O-N 3.13Å; N52-N54 VanDerWaalsContact OD1-CB 3.27Å; N52-N54 WeakPolarHBondContact OD1-CB 3.27Å; N52-N54 PolarHBondContact OD1-N 2.03Å; N52-N54 VanDerWaalsContact OD1-N 3.16Å; N52-N54 PolarHBondContact OD1-ND2 2.75Å
55E92.6Very high94.8Very high138 Ų13888.5 Ų88.565%0.64546%0.46SS*.Hα-helixtrans-87.5-23.1177.6-68.9170.7-153.900112.5N52 Y53N52-E55 PolarHBondContact ND2-OE1 3.21Å; N52-E55 PolarHBondContact O-N 2.99Å; N52-E55 VanDerWaalsContact O-N 3.09Å; Y53-E55 PolarHBondContact O-N 2.83Å
56L93.7Very high94.8Very high59 Ų5987.1 Ų87.131%0.30945%0.449SS..Hα-helixtrans-101.5-14.9-174.1-59.9-174.9000114.2I51 Y53 L68 K69I51-L56 HydrophobicContact CG2-CD1 3.32Å; I51-L56 HydrophobicContact CG2-CG 4.43Å; Y53-L56 PolarHBondContact O-N 3.34Å; L56-L68 CarbonylContact O-C 3.49Å; L56-L68 WeakPolarHBondContact O-CA 3.38Å; L56-K69 PolarHBondContact O-N 3.43Å
57L95.8Very high94.7Very high25 Ų2579.7 Ų79.713%0.13141%0.414CS..EExtended strand (participates in β ladder)trans-114.7137.1178-63.6172.4000110.6P34 F35 Y53 Y66 C67 L68P34-L57 HydrophobicContact CB-CD1 3.79Å; P34-L57 HydrophobicContact CG-CD1 3.75Å; F35-L57 HydrophobicContact CD1-CB 4.12Å; F35-L57 HydrophobicContact CD1-CD1 4.18Å; F35-L57 HydrophobicContact CE1-CB 3.52Å; F35-L57 HydrophobicContact CE1-CD1 4.38Å; F35-L57 HydrophobicContact CZ-CB 4.31Å; Y53-L57 HydrophobicContact CD1-CD1 3.94Å; Y53-L57 HydrophobicContact CD1-CG 4.15Å; Y53-L57 HydrophobicContact CG-CD1 4.42Å; Y53-L57 WeakPolarHBondContact O-CB 3.28Å; Y53-L57 PolarHBondContact O-N 3.16Å; L57-Y66 HydrophobicContact CB-CD1 4.33Å; L57-C67 WeakPolarHBondContact CA-O 3.43Å; L57-L68 HydrophobicContact CD2-CD2 3.65Å; L57-L68 HydrophobicContact CD2-CG 4.16Å
58T95.1Very high94.6Very high53 Ų5380.2 Ų80.233%0.32542%0.417SS..EExtended strand (participates in β ladder)trans-136.3141176.6-170.60000110Y66 C67 K69 T75T58-Y66 WeakPolarHBondContact O-CA 3.05Å; T58-C67 PolarHBondContact N-O 3.34Å; T58-C67 PolarHBondContact O-N 3.45Å; T58-K69 HydrophobicContact CG2-CB 4.24Å; T58-T75 HydrophobicContact CG2-CG2 3.85Å
59F95.5Very high94.6Very high109 Ų10976.8 Ų76.848%0.47840%0.4SS..EExtended strand (participates in β ladder)trans-78.1124.7178.9-173.7-103.1000110.7A61 Y66F59-A61 HydrophobicContact CE1-CB 4.29Å; F59-Y66 HydrophobicContact CB-CD1 4.15Å; F59-Y66 HydrophobicContact CB-CE1 3.95Å; F59-Y66 AromaticContact CD2-CD2 3.93Å; F59-Y66 HydrophobicContact CD2-CD2 3.93Å; F59-Y66 AromaticContact CD2-CE2 3.89Å; F59-Y66 HydrophobicContact CD2-CE2 3.89Å; F59-Y66 HydrophobicContact CD2-CG 4.32Å
60N94.1Very high94.1Very high53 Ų5373.2 Ų73.228%0.28338%0.376SS..EExtended strand (participates in β ladder)trans-100.1105.7174.2-177.1-44.6000109.4K62 K63 G64 F65 C67N60-K62 VanDerWaalsContact C-N 3.29Å; N60-K62 PolarHBondContact O-N 2.92Å; N60-K62 WeakPolarHBondContact OD1-CB 3.31Å; N60-K62 PolarHBondContact OD1-N 3.2Å; N60-K63 HydrophobicContact CB-CB 3.89Å; N60-K63 CarbonylContact O-C 3.58Å; N60-K63 PolarHBondContact O-N 3.38Å; N60-K63 VanDerWaalsContact O-N 3.09Å; N60-K63 PolarHBondContact OD1-N 2.86Å; N60-G64 PolarHBondContact O-N 3.24Å; N60-F65 PolarHBondContact N-O 3.24Å; N60-C67 VanDerWaalsContact CB-SG 3.59Å
61A93.5Very high93.5Very high85 Ų8577.3 Ų77.370%0.70240%0.399SS*.THydrogen-bonded Turntrans-60.7-34.2-177.300000113.8F59 G64F59-A61 HydrophobicContact CE1-CB 4.29Å; A61-G64 PolarHBondContact O-N 3.26Å
62K92.2Very high93Very high196 Ų19677.3 Ų77.385%0.85241%0.406SS*.THydrogen-bonded Turntrans-68.7-37.7176.1-177.9179.8178.5-1790111.5N60N60-K62 VanDerWaalsContact C-N 3.29Å; N60-K62 PolarHBondContact O-N 2.92Å; N60-K62 WeakPolarHBondContact OD1-CB 3.31Å; N60-K62 PolarHBondContact OD1-N 3.2Å
63K92.3Very high92.3Very high43 Ų4379.4 Ų79.419%0.18742%0.417CS..THydrogen-bonded Turntrans-76.6-33.2176.6-175.764.1-174.6-170.90111.6N60 F65 C77 L78 G79 K82N60-K63 HydrophobicContact CB-CB 3.89Å; N60-K63 CarbonylContact O-C 3.58Å; N60-K63 PolarHBondContact O-N 3.38Å; N60-K63 VanDerWaalsContact O-N 3.09Å; N60-K63 PolarHBondContact OD1-N 2.86Å; K63-F65 VanDerWaalsContact C-N 3.34Å; K63-F65 HydrophobicContact CG-CB 4.21Å; K63-F65 HydrophobicContact CG-CD2 4.21Å; K63-F65 VanDerWaalsContact O-CD2 3.25Å; K63-F65 WeakPolarHBondContact O-CD2 3.23Å; K63-C77 HydrophobicContact CG-CB 4.34Å; K63-L78 WeakPolarHBondContact CE-O 3.4Å; K63-L78 PolarHBondContact NZ-O 3.09Å; K63-G79 PolarHBondContact NZ-O 2.92Å; K63-K82 VanDerWaalsContact CE-O 3.26Å; K63-K82 WeakPolarHBondContact CE-O 3.26Å; K63-K82 PolarHBondContact NZ-O 3.26Å
64G94Very high91.9Very high33 Ų3382.7 Ų82.734%0.3443%0.434SS..THydrogen-bonded Turntrans79.113.3-172.700000114.3N60 A61N60-G64 PolarHBondContact O-N 3.24Å; A61-G64 PolarHBondContact O-N 3.26Å
65F96.4Very high91.9Very high67 Ų6781.2 Ų81.229%0.29443%0.428SS..EExtended strand (participates in β ladder)trans-142.2162.1-176.3-65.2-89.8000111.4K31 N60 K63K31-F65 HydrophobicContact CD-CE1 4.09Å; K31-F65 HydrophobicContact CG-CD1 4.12Å; K31-F65 HydrophobicContact CG-CE1 3.91Å; N60-F65 PolarHBondContact N-O 3.24Å; K63-F65 VanDerWaalsContact C-N 3.34Å; K63-F65 HydrophobicContact CG-CB 4.21Å; K63-F65 HydrophobicContact CG-CD2 4.21Å; K63-F65 VanDerWaalsContact O-CD2 3.25Å; K63-F65 WeakPolarHBondContact O-CD2 3.23Å
66Y96.9Very high91.9Very high65 Ų6581.2 Ų81.226%0.25542%0.423SS..EExtended strand (participates in β ladder)trans-69.8143.4168.5-71.7-94.4000111.6H32 P34 F35 L57 T58 F59H32-Y66 WeakPolarHBondContact O-CE2 3.01Å; H32-Y66 PolarHBondContact O-OH 3.26Å; P34-Y66 VanDerWaalsContact CD-CD2 3.46Å; P34-Y66 VanDerWaalsContact CD-CE2 3.46Å; P34-Y66 HydrophobicContact CG-CD1 3.91Å; P34-Y66 HydrophobicContact CG-CD2 3.63Å; P34-Y66 HydrophobicContact CG-CE1 4.35Å; P34-Y66 HydrophobicContact CG-CE2 4.09Å; P34-Y66 HydrophobicContact CG-CG 3.52Å; F35-Y66 HydrophobicContact CE1-CE1 4.42Å; F35-Y66 HydrophobicContact CE2-CD1 4.32Å; F35-Y66 AromaticContact CE2-CE1 3.52Å; F35-Y66 HydrophobicContact CE2-CE1 3.52Å; F35-Y66 AromaticContact CE2-CZ 3.91Å; F35-Y66 AromaticContact CZ-CD1 3.88Å; F35-Y66 HydrophobicContact CZ-CD1 3.88Å; F35-Y66 AromaticContact CZ-CE1 3.38Å; F35-Y66 HydrophobicContact CZ-CE1 3.38Å; L57-Y66 HydrophobicContact CB-CD1 4.33Å; T58-Y66 WeakPolarHBondContact O-CA 3.05Å; F59-Y66 HydrophobicContact CB-CD1 4.15Å; F59-Y66 HydrophobicContact CB-CE1 3.95Å; F59-Y66 AromaticContact CD2-CD2 3.93Å; F59-Y66 HydrophobicContact CD2-CD2 3.93Å; F59-Y66 AromaticContact CD2-CE2 3.89Å; F59-Y66 HydrophobicContact CD2-CE2 3.89Å; F59-Y66 HydrophobicContact CD2-CG 4.32Å
67C96.4Very high92Very high4 Ų480.6 Ų80.63%0.02742%0.423CS..EExtended strand (participates in β ladder)trans-131.7158-179.5-56.20000110L57 T58 N60 T75 C77L57-C67 WeakPolarHBondContact CA-O 3.43Å; T58-C67 PolarHBondContact N-O 3.34Å; T58-C67 PolarHBondContact O-N 3.45Å; N60-C67 VanDerWaalsContact CB-SG 3.59Å; C67-T75 HydrophobicContact CB-CG2 3.4Å; C67-T75 VanDerWaalsContact CB-CG2 3.4Å; C67-C77 HydrophobicContact CB-CB 3.9Å; C67-C77 WeakPolarHBondContact CB-SG 3.25Å; C67-C77 WeakPolarHBondContact SG-CA 3.4Å; C67-C77 WeakPolarHBondContact SG-CB 3.45Å; C67-C77 CovalentContact SG-SG 2.03Å; C67-C77 PolarHBondContact SG-SG 3.48Å
68L95.5Very high92Very high92 Ų9285.2 Ų85.248%0.48245%0.448SS..EExtended strand (participates in β ladder)trans-76.7128.1177-72.7165.9000110.6L56 L57 T75 Y76L56-L68 CarbonylContact O-C 3.49Å; L56-L68 WeakPolarHBondContact O-CA 3.38Å; L57-L68 HydrophobicContact CD2-CD2 3.65Å; L57-L68 HydrophobicContact CD2-CG 4.16Å; L68-T75 CarbonylContact O-C 3.53Å; L68-T75 WeakPolarHBondContact O-CA 3.33Å; L68-Y76 PolarHBondContact N-O 2.78Å; L68-Y76 PolarHBondContact O-N 3.01Å
69K93.3Very high91.9Very high85 Ų8585 Ų8537%0.3746%0.456SS..EExtended strand (participates in β ladder)trans-93.2127.2169.9-175.9-178.3179.5-177.50108.7L56 T58 N73L56-K69 PolarHBondContact O-N 3.43Å; T58-K69 HydrophobicContact CG2-CB 4.24Å; K69-N73 WeakPolarHBondContact CE-OD1 3.44Å; K69-N73 PolarHBondContact NZ-OD1 3.26Å
70T85.7Confident91.7Very high45 Ų4588.6 Ų88.628%0.27647%0.474SS..PPolyproline II helixtrans-90.7164.6174.254.20000112.1S72 N73 H74 Y76T70-S72 PolarHBondContact O-N 2.86Å; T70-S72 PolarHBondContact OG1-OG 3.42Å; T70-N73 WeakPolarHBondContact O-CA 3.42Å; T70-N73 PolarHBondContact O-N 3.01Å; T70-H74 PolarHBondContact N-O 3.25Å; T70-H74 WeakPolarHBondContact OG1-CB 3.33Å; T70-H74 PolarHBondContact OG1-N 3.03Å; T70-H74 PolarHBondContact OG1-O 3.33Å; T70-Y76 HydrophobicContact CG2-CD2 3.43Å; T70-Y76 VanDerWaalsContact CG2-CD2 3.43Å; T70-Y76 HydrophobicContact CG2-CE2 3.31Å
71L81.6Confident91.7Very high181 Ų18189.4 Ų89.495%0.94848%0.484SS*.THydrogen-bonded Turntrans-59-29.8175.8-63.1173.1000112.8N73L71-N73 PolarHBondContact O-N 3.14Å
72S84.2Confident91.7Very high78 Ų7891.3 Ų91.355%0.54548%0.476SS..THydrogen-bonded Turntrans-81.411.8173.847.50000113.7T70 H74T70-S72 PolarHBondContact O-N 2.86Å; T70-S72 PolarHBondContact OG1-OG 3.42Å; S72-H74 PolarHBondContact O-N 3.1Å; S72-H74 PolarHBondContact OG-CD2 3.48Å
73N79.6Confident91.7Very high113 Ų11383.2 Ų83.260%0.60445%0.449SS*.SBendtrans62.716.3179.9-154.750.4000114.5K69 T70 L71K69-N73 WeakPolarHBondContact CE-OD1 3.44Å; K69-N73 PolarHBondContact NZ-OD1 3.26Å; T70-N73 WeakPolarHBondContact O-CA 3.42Å; T70-N73 PolarHBondContact O-N 3.01Å; L71-N73 PolarHBondContact O-N 3.14Å
74H88.5Confident91.7Very high114 Ų11488.1 Ų88.153%0.52847%0.466SS..  trans-82.5141.4167.9-64.2-66.4000110.5T70 S72 Y76T70-H74 PolarHBondContact N-O 3.25Å; T70-H74 WeakPolarHBondContact OG1-CB 3.33Å; T70-H74 PolarHBondContact OG1-N 3.03Å; T70-H74 PolarHBondContact OG1-O 3.33Å; S72-H74 PolarHBondContact O-N 3.1Å; S72-H74 PolarHBondContact OG-CD2 3.48Å; H74-Y76 HydrophobicContact CB-CD2 4.47Å; H74-Y76 HydrophobicContact CB-CE2 3.77Å
75T92Very high91.5Very high67 Ų6794.7 Ų94.741%0.41149%0.488SS..EExtended strand (participates in β ladder)trans-103.3124.6178.8-57.70000110.5T58 C67 L68T58-T75 HydrophobicContact CG2-CG2 3.85Å; C67-T75 HydrophobicContact CB-CG2 3.4Å; C67-T75 VanDerWaalsContact CB-CG2 3.4Å; L68-T75 CarbonylContact O-C 3.53Å; L68-T75 WeakPolarHBondContact O-CA 3.33Å
76Y94.1Very high91.3Very high138 Ų13899.4 Ų99.454%0.54151%0.505SS..EExtended strand (participates in β ladder)trans-110.7105.2177.9-67.9-96.1000109.7L68 T70 H74L68-Y76 PolarHBondContact N-O 2.78Å; L68-Y76 PolarHBondContact O-N 3.01Å; T70-Y76 HydrophobicContact CG2-CD2 3.43Å; T70-Y76 VanDerWaalsContact CG2-CD2 3.43Å; T70-Y76 HydrophobicContact CG2-CE2 3.31Å; H74-Y76 HydrophobicContact CB-CD2 4.47Å; H74-Y76 HydrophobicContact CB-CE2 3.77Å
77C95.2Very high91.2Very high46 Ų46104.5 Ų104.531%0.31153%0.531SS..  trans-89.9156.7175.4-63.40000111.1K63 C67K63-C77 HydrophobicContact CG-CB 4.34Å; C67-C77 HydrophobicContact CB-CB 3.9Å; C67-C77 WeakPolarHBondContact CB-SG 3.25Å; C67-C77 WeakPolarHBondContact SG-CA 3.4Å; C67-C77 WeakPolarHBondContact SG-CB 3.45Å; C67-C77 CovalentContact SG-SG 2.03Å; C67-C77 PolarHBondContact SG-SG 3.48Å
78L94.8Very high91.1Very high122 Ų122109.8 Ų109.864%0.63957%0.565SS**  trans-57142.4165.8-60.7177.5000110K63 K82K63-L78 WeakPolarHBondContact CE-O 3.4Å; K63-L78 PolarHBondContact NZ-O 3.09Å; L78-K82 HydrophobicContact CB-CB 3.71Å; L78-K82 HydrophobicContact CB-CG 4.01Å; L78-K82 HydrophobicContact CD1-CB 4.21Å; L78-K82 HydrophobicContact CD1-CG 4.38Å
79G93.5Very high91.1Very high48 Ų48110.6 Ų110.650%0.49557%0.568SS.*  trans-59.3176.5-173.500000114.8K63 S81 K82K63-G79 PolarHBondContact NZ-O 2.92Å; G79-S81 PolarHBondContact O-N 3.06Å; G79-S81 VanDerWaalsContact O-N 3.08Å; G79-K82 PolarHBondContact O-N 3.29Å
80E91.1Very high91.3Very high185 Ų185109.9 Ų109.986%0.86457%0.574SS**THydrogen-bonded Turntrans-59.9-23.6-175.1-62.5-176.2162.600113.8K82E80-K82 PolarHBondContact O-N 3.17Å
81S93.7Very high91.8Very high70 Ų70113.4 Ų113.449%0.4959%0.587SS.*THydrogen-bonded Turntrans-74.7-8.3176.664.50000114.7G79 R84G79-S81 PolarHBondContact O-N 3.06Å; G79-S81 VanDerWaalsContact O-N 3.08Å; S81-R84 PolarHBondContact O-NE 2.9Å
82K94.5Very high92.6Very high125 Ų125111.9 Ų111.954%0.54358%0.575SS.*SBendtrans-113130.2-178.8-59.6-61-176.4176.90110.6K63 L78 G79 E80K63-K82 VanDerWaalsContact CE-O 3.26Å; K63-K82 WeakPolarHBondContact CE-O 3.26Å; K63-K82 PolarHBondContact NZ-O 3.26Å; L78-K82 HydrophobicContact CB-CB 3.71Å; L78-K82 HydrophobicContact CB-CG 4.01Å; L78-K82 HydrophobicContact CD1-CB 4.21Å; L78-K82 HydrophobicContact CD1-CG 4.38Å; G79-K82 PolarHBondContact O-N 3.29Å; E80-K82 PolarHBondContact O-N 3.17Å
83G91.5Very high93.2Very high27 Ų27110 Ų11028%0.27856%0.563SS.*SBendtrans69.340-176.200000112.9
84R93Very high94Very high145 Ų145108.9 Ų108.955%0.54755%0.551SS.*  trans-64.5151179-54.6167.4173.1155.5-1.7109.8S81 Y86S81-R84 PolarHBondContact O-NE 2.9Å; R84-Y86 HydrophobicContact CB-CD1 4.25Å; R84-Y86 HydrophobicContact CB-CE1 3.48Å; R84-Y86 VanDerWaalsContact CB-CE1 3.48Å; R84-Y86 HydrophobicContact CB-CE2 4.4Å; R84-Y86 HydrophobicContact CG-CE1 4.28Å; R84-Y86 WeakPolarHBondContact O-CD2 3.12Å; R84-Y86 WeakPolarHBondContact O-CE2 3.45Å
85H90Very high94.3Very high172 Ų172111 Ų11180%0.79656%0.555SS**  trans-80.9130.8169.9-66.6-76.1000109.4
86Y92.3Very high94.5Very high165 Ų165115.4 Ų115.465%0.64756%0.563SS**  trans-130.6152.4172.9-32-80.5000107.3R84R84-Y86 HydrophobicContact CB-CD1 4.25Å; R84-Y86 HydrophobicContact CB-CE1 3.48Å; R84-Y86 VanDerWaalsContact CB-CE1 3.48Å; R84-Y86 HydrophobicContact CB-CE2 4.4Å; R84-Y86 HydrophobicContact CG-CE1 4.28Å; R84-Y86 WeakPolarHBondContact O-CD2 3.12Å; R84-Y86 WeakPolarHBondContact O-CE2 3.45Å
87E95Very high94.7Very high173 Ų173111.4 Ų111.481%0.80855%0.551SS**PPolyproline II helixtrans-56.9138.2166.6-66.3-55137.300109.7M89E87-M89 PolarHBondContact O-N 3.4Å
88P94.1Very high94.7Very high114 Ų114110.1 Ų110.174%0.7454%0.541SS*.PPolyproline II helixtrans-53.8141.4174.6-25.434.4000111.4S90P88-S90 PolarHBondContact O-N 2.76Å
89M96Very high94.8Very high110 Ų110109.4 Ų109.454%0.54254%0.538SS..PPolyproline II helixtrans-59.5135.5174-179.5-174.3-63.900109.9E87 A93 R94 L97E87-M89 PolarHBondContact O-N 3.4Å; M89-A93 HydrophobicContact CG-CB 3.82Å; M89-A93 HydrophobicContact SD-CB 4.26Å; M89-R94 VanDerWaalsContact SD-CA 3.57Å; M89-R94 HydrophobicContact SD-CB 3.93Å; M89-L97 HydrophobicContact CE-CD1 3.53Å; M89-L97 HydrophobicContact SD-CD1 3.61Å
90S97.3Very high94.9Very high70 Ų70110.9 Ų110.949%0.4953%0.529SS..PPolyproline II helixtrans-59.8144.6174.266.60000111.3P88 E92 A93 R94P88-S90 PolarHBondContact O-N 2.76Å; S90-E92 PolarHBondContact O-N 2.75Å; S90-E92 VanDerWaalsContact O-N 3.15Å; S90-A93 PolarHBondContact O-N 3.18Å; S90-A93 VanDerWaalsContact O-N 3.1Å; S90-A93 VanDerWaalsContact OG-CB 3.24Å; S90-A93 WeakPolarHBondContact OG-CB 3.2Å; S90-A93 PolarHBondContact OG-N 3.41Å; S90-R94 PolarHBondContact O-N 3.19Å
91E96.5Very high95.2Very high119 Ų119104.5 Ų104.556%0.55650%0.498SS*.Hα-helixtrans-57.7-29.7176.6-71.3-55.8122.900113.8R95E91-R95 WeakPolarHBondContact O-CB 3.48Å; E91-R95 WeakPolarHBondContact O-CG 3.41Å; E91-R95 PolarHBondContact O-N 3.16Å; E91-R95 PolarHBondContact O-NE 2.92Å; E91-R95 VanDerWaalsContact O-NE 3.08Å
92E96.9Very high95.3Very high149 Ų149104.8 Ų104.870%0.69649%0.49SS*.Hα-helixtrans-66-51.8174.5-176.6179.9175.400111.3S90 R94 R95 W96S90-E92 PolarHBondContact O-N 2.75Å; S90-E92 VanDerWaalsContact O-N 3.15Å; E92-R94 VanDerWaalsContact C-N 3.32Å; E92-R94 PolarHBondContact O-N 3.26Å; E92-R95 PolarHBondContact O-N 3.46Å; E92-W96 PolarHBondContact O-N 3.21Å
93A97.3Very high95.4Very high37 Ų37102.7 Ų102.731%0.30649%0.491SS..Hα-helixtrans-60.1-40.9175.500000112.1M89 S90 W96 L97M89-A93 HydrophobicContact CG-CB 3.82Å; M89-A93 HydrophobicContact SD-CB 4.26Å; S90-A93 PolarHBondContact O-N 3.18Å; S90-A93 VanDerWaalsContact O-N 3.1Å; S90-A93 VanDerWaalsContact OG-CB 3.24Å; S90-A93 WeakPolarHBondContact OG-CB 3.2Å; S90-A93 PolarHBondContact OG-N 3.41Å; A93-W96 PolarHBondContact O-N 2.78Å; A93-L97 WeakPolarHBondContact O-CB 3.4Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 3Å
94R96.1Very high95.7Very high91 Ų91103.8 Ų103.834%0.34349%0.489SS..Hα-helixtrans-58.2-51.6175.1-178.8-175.4170.493.32.2110.8M89 S90 E92 W96 L97 L98 E129M89-R94 VanDerWaalsContact SD-CA 3.57Å; M89-R94 HydrophobicContact SD-CB 3.93Å; S90-R94 PolarHBondContact O-N 3.19Å; E92-R94 VanDerWaalsContact C-N 3.32Å; E92-R94 PolarHBondContact O-N 3.26Å; R94-W96 VanDerWaalsContact C-N 3.34Å; R94-W96 PolarHBondContact O-N 2.9Å; R94-L97 PolarHBondContact O-N 3.39Å; R94-L98 HydrophobicContact CG-CD1 4.04Å; R94-L98 HydrophobicContact CG-CG 4.39Å; R94-L98 WeakPolarHBondContact O-CG 3.48Å; R94-L98 PolarHBondContact O-N 3.11Å; R94-E129 IonicContact CZ-OE2 3.29Å; R94-E129 IonicContact NH2-OE1 2.75Å; R94-E129 IonicContact NH2-OE2 3.82Å; R94-E129 PolarHBondContact NH2-OE2 3.49Å
95R95.8Very high96Very high159 Ų15997.1 Ų97.160%0.646%0.464SS*.Hα-helixtrans-59.5-43.5178.5-80.2179-82.1144.6-7.9112.3E91 E92 L98 N99E91-R95 WeakPolarHBondContact O-CB 3.48Å; E91-R95 WeakPolarHBondContact O-CG 3.41Å; E91-R95 PolarHBondContact O-N 3.16Å; E91-R95 PolarHBondContact O-NE 2.92Å; E91-R95 VanDerWaalsContact O-NE 3.08Å; E92-R95 PolarHBondContact O-N 3.46Å; R95-L98 PolarHBondContact O-N 3.17Å; R95-N99 PolarHBondContact O-N 3.01Å; R95-N99 VanDerWaalsContact O-N 3.09Å
96W96.6Very high96.3Very high158 Ų15891.1 Ų91.160%0.59844%0.444SS*.Hα-helixtrans-60.9-45.8176.6-173.693.6000111.7E92 A93 R94 N99 Y100E92-W96 PolarHBondContact O-N 3.21Å; A93-W96 PolarHBondContact O-N 2.78Å; R94-W96 VanDerWaalsContact C-N 3.34Å; R94-W96 PolarHBondContact O-N 2.9Å; W96-N99 PolarHBondContact O-N 3.41Å; W96-Y100 AromaticContact CH2-CD2 3.86Å; W96-Y100 HydrophobicContact CH2-CD2 3.86Å; W96-Y100 HydrophobicContact CH2-CE2 4.48Å; W96-Y100 HydrophobicContact CH2-CG 4.01Å; W96-Y100 HydrophobicContact CZ2-CD2 4.36Å; W96-Y100 HydrophobicContact CZ3-CD2 4.36Å; W96-Y100 HydrophobicContact CZ3-CG 4.03Å; W96-Y100 WeakPolarHBondContact O-CB 3.42Å; W96-Y100 PolarHBondContact O-N 3.37Å
97L96.7Very high96.6Very high54 Ų5485.1 Ų85.128%0.28343%0.429SS..Hα-helixtrans-67-41.5179.5-72.5168000112.5M89 A93 R94 N99 Y100 Y101M89-L97 HydrophobicContact CE-CD1 3.53Å; M89-L97 HydrophobicContact SD-CD1 3.61Å; A93-L97 WeakPolarHBondContact O-CB 3.4Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 3Å; R94-L97 PolarHBondContact O-N 3.39Å; L97-N99 VanDerWaalsContact C-N 3.31Å; L97-N99 PolarHBondContact O-N 3.12Å; L97-Y100 PolarHBondContact O-N 3Å; L97-Y101 HydrophobicContact CB-CD2 4.45Å; L97-Y101 HydrophobicContact CD2-CD2 4.4Å; L97-Y101 HydrophobicContact CD2-CE2 3.9Å; L97-Y101 WeakPolarHBondContact O-CD2 3.49Å; L97-Y101 PolarHBondContact O-N 3.11Å
98L96.5Very high96.8Very high20 Ų2077.4 Ų77.411%0.10539%0.393CS..Hα-helixtrans-57.8-45.1174.7-75.1173.5000111.1R94 R95 K102 E126R94-L98 HydrophobicContact CG-CD1 4.04Å; R94-L98 HydrophobicContact CG-CG 4.39Å; R94-L98 WeakPolarHBondContact O-CG 3.48Å; R94-L98 PolarHBondContact O-N 3.11Å; R95-L98 PolarHBondContact O-N 3.17Å; L98-K102 PolarHBondContact O-N 3.45Å; L98-K102 VanDerWaalsContact O-N 3.09Å; L98-E126 HydrophobicContact CD2-CB 3.95Å; L98-E126 HydrophobicContact CD2-CG 3.74Å
99N95.8Very high96.9Very high106 Ų10674.2 Ų74.257%0.56737%0.369SS*.Hα-helixtrans-67.1-43.2176.4-175.150.9000112.2R95 W96 L97 Y101 K102R95-N99 PolarHBondContact O-N 3.01Å; R95-N99 VanDerWaalsContact O-N 3.09Å; W96-N99 PolarHBondContact O-N 3.41Å; L97-N99 VanDerWaalsContact C-N 3.31Å; L97-N99 PolarHBondContact O-N 3.12Å; N99-Y101 PolarHBondContact O-N 3.27Å; N99-K102 WeakPolarHBondContact O-CB 3.48Å; N99-K102 PolarHBondContact O-N 2.96Å
100Y96.6Very high97Very high79 Ų7975.9 Ų75.931%0.3138%0.376SS..Hα-helixtrans-60.2-45.3178.2175.5-96000112.4H5 W96 L97H5-Y100 PolarHBondContact CE1-OH 3.35Å; H5-Y100 AromaticContact NE2-CE1 3.78Å; H5-Y100 AromaticContact NE2-CZ 3.77Å; H5-Y100 PolarHBondContact NE2-OH 2.87Å; H5-Y100 VanDerWaalsContact NE2-OH 3.11Å; W96-Y100 AromaticContact CH2-CD2 3.86Å; W96-Y100 HydrophobicContact CH2-CD2 3.86Å; W96-Y100 HydrophobicContact CH2-CE2 4.48Å; W96-Y100 HydrophobicContact CH2-CG 4.01Å; W96-Y100 HydrophobicContact CZ2-CD2 4.36Å; W96-Y100 HydrophobicContact CZ3-CD2 4.36Å; W96-Y100 HydrophobicContact CZ3-CG 4.03Å; W96-Y100 WeakPolarHBondContact O-CB 3.42Å; W96-Y100 PolarHBondContact O-N 3.37Å; L97-Y100 PolarHBondContact O-N 3Å
101Y97.5Very high97.1Very high52 Ų5272.8 Ų72.820%0.20435%0.354CS..Hα-helixtrans-84-9.2-177.8-75.4-68.8000114.1V2 H5 L97 N99 S103 H104 N105V2-Y101 WeakPolarHBondContact CG1-OH 3.41Å; H5-Y101 AromaticContact CD2-CE1 3.93Å; L97-Y101 HydrophobicContact CB-CD2 4.45Å; L97-Y101 HydrophobicContact CD2-CD2 4.4Å; L97-Y101 HydrophobicContact CD2-CE2 3.9Å; L97-Y101 WeakPolarHBondContact O-CD2 3.49Å; L97-Y101 PolarHBondContact O-N 3.11Å; N99-Y101 PolarHBondContact O-N 3.27Å; Y101-S103 PolarHBondContact O-N 3.01Å; Y101-H104 HydrophobicContact CD1-CB 4.34Å; Y101-H104 CarbonylContact O-C 3.57Å; Y101-H104 WeakPolarHBondContact O-CA 3.32Å; Y101-H104 WeakPolarHBondContact O-CB 3.44Å; Y101-H104 PolarHBondContact O-N 3.29Å; Y101-N105 WeakPolarHBondContact O-CB 3.48Å; Y101-N105 PolarHBondContact O-N 2.88Å
102K96.5Very high97.2Very high76 Ų7667.2 Ų67.233%0.3333%0.328SS..Hα-helixtrans-47.4-52.1-176.6-173.4177.2-175.4165.40113.5L98 N99 A106 A130 V131L98-K102 PolarHBondContact O-N 3.45Å; L98-K102 VanDerWaalsContact O-N 3.09Å; N99-K102 WeakPolarHBondContact O-CB 3.48Å; N99-K102 PolarHBondContact O-N 2.96Å; K102-A106 WeakPolarHBondContact O-CB 3.41Å; K102-A106 PolarHBondContact O-N 3.39Å; K102-A130 HydrophobicContact CB-CB 4.18Å; K102-A130 HydrophobicContact CD-CB 3.84Å; K102-A130 WeakPolarHBondContact CE-O 3.4Å; K102-A130 HydrophobicContact CG-CB 3.85Å; K102-A130 PolarHBondContact NZ-O 2.83Å; K102-V131 PolarHBondContact NZ-OXT 2.85Å
103S96.6Very high97.2Very high81 Ų8165 Ų6557%0.56632%0.321SS*.Hα-helixtrans-68.9-36.918059.90000112.7Y101 A106 A107Y101-S103 PolarHBondContact O-N 3.01Å; S103-A106 PolarHBondContact O-N 3.46Å; S103-A107 WeakPolarHBondContact O-CB 3.38Å; S103-A107 PolarHBondContact O-N 3.48Å
104H97.5Very high97.2Very high49 Ų4971.3 Ų71.323%0.22734%0.337CS..Hα-helixtrans-67.7-40.5177.1-65.1-67.1000112H5 Y101 A107 L108H5-H104 AromaticContact CD2-CD2 3.75Å; H5-H104 AromaticContact CD2-CE1 3.7Å; H5-H104 AromaticContact CD2-CG 3.8Å; H5-H104 AromaticContact CD2-ND1 3.77Å; H5-H104 AromaticContact CD2-NE2 3.68Å; H5-H104 AromaticContact CE1-CE1 3.55Å; H5-H104 AromaticContact CE1-NE2 3.59Å; H5-H104 AromaticContact CG-CE1 3.94Å; H5-H104 AromaticContact CG-ND1 3.99Å; H5-H104 AromaticContact ND1-CE1 3.89Å; H5-H104 AromaticContact NE2-CD2 3.6Å; H5-H104 AromaticContact NE2-CE1 3.46Å; H5-H104 PolarHBondContact NE2-CE1 3.01Å; H5-H104 AromaticContact NE2-ND1 3.99Å; H5-H104 AromaticContact NE2-NE2 3.16Å; H5-H104 PolarHBondContact NE2-NE2 3.34Å; H5-H104 VanDerWaalsContact NE2-NE2 3.16Å; Y101-H104 HydrophobicContact CD1-CB 4.34Å; Y101-H104 CarbonylContact O-C 3.57Å; Y101-H104 WeakPolarHBondContact O-CA 3.32Å; Y101-H104 WeakPolarHBondContact O-CB 3.44Å; Y101-H104 PolarHBondContact O-N 3.29Å; H104-A107 PolarHBondContact O-N 2.88Å; H104-L108 PolarHBondContact O-N 3.25Å
105N97.8Very high97.2Very high5 Ų569.4 Ų69.43%0.02733%0.333CS..Hα-helixtrans-68.1-38.4175.4-78.90.6000111.3Y101 L108 L109 L123 E126 L127Y101-N105 WeakPolarHBondContact O-CB 3.48Å; Y101-N105 PolarHBondContact O-N 2.88Å; N105-L108 PolarHBondContact O-N 3.43Å; N105-L109 PolarHBondContact O-N 2.87Å; N105-L123 HydrophobicContact CB-CD1 3.5Å; N105-E126 PolarHBondContact ND2-OE2 2.92Å; N105-L127 HydrophobicContact CB-CD2 3.82Å; N105-L127 HydrophobicContact CB-CG 4.15Å
106A97.8Very high97.2Very high47 Ų4765.1 Ų65.139%0.38834%0.338SS..Hα-helixtrans-63.9-42.717400000111.6K102 S103 L108 L109 Q110 L127K102-A106 WeakPolarHBondContact O-CB 3.41Å; K102-A106 PolarHBondContact O-N 3.39Å; S103-A106 PolarHBondContact O-N 3.46Å; A106-L108 VanDerWaalsContact C-N 3.35Å; A106-L109 PolarHBondContact O-N 3.26Å; A106-Q110 PolarHBondContact O-N 2.99Å; A106-L127 HydrophobicContact CB-CD2 4.18Å
107A98Very high97.2Very high38 Ų3859.6 Ų59.631%0.31432%0.318SS..Hα-helixtrans-63.6-38.9173.900000112.1S103 H104 L111S103-A107 WeakPolarHBondContact O-CB 3.38Å; S103-A107 PolarHBondContact O-N 3.48Å; H104-A107 PolarHBondContact O-N 2.88Å; A107-L111 WeakPolarHBondContact O-CB 3.37Å; A107-L111 PolarHBondContact O-N 3.48Å
108L98.3Very high97.1Very high11 Ų1165.8 Ų65.86%0.05835%0.345CS..Hα-helixtrans-62.3-49.2173.5178.465.3000111.2Y6 H104 N105 A106 Q110 L111 L112 W122 L123Y6-L108 HydrophobicContact CD2-CD2 3.8Å; Y6-L108 HydrophobicContact CG-CD2 4.28Å; H104-L108 PolarHBondContact O-N 3.25Å; N105-L108 PolarHBondContact O-N 3.43Å; A106-L108 VanDerWaalsContact C-N 3.35Å; L108-Q110 VanDerWaalsContact C-N 3.31Å; L108-Q110 PolarHBondContact O-N 3.4Å; L108-L111 WeakPolarHBondContact O-CB 3.45Å; L108-L111 PolarHBondContact O-N 2.93Å; L108-L111 VanDerWaalsContact O-N 3.11Å; L108-L112 HydrophobicContact CD1-CD1 4.15Å; L108-L112 HydrophobicContact CD1-CD2 4.21Å; L108-L112 HydrophobicContact CD1-CG 3.95Å; L108-L112 HydrophobicContact CD2-CD1 4.48Å; L108-L112 HydrophobicContact CG-CD1 3.99Å; L108-L112 HydrophobicContact CG-CG 4.18Å; L108-L112 WeakPolarHBondContact O-CG 3.41Å; L108-L112 PolarHBondContact O-N 3.31Å; L108-W122 HydrophobicContact CD2-CH2 4.31Å; L108-L123 HydrophobicContact CB-CD2 4.45Å; L108-L123 HydrophobicContact CD2-CD1 4.2Å; L108-L123 HydrophobicContact CD2-CD2 3.79Å; L108-L123 HydrophobicContact CG-CD2 3.95Å
109L98Very high97Very high47 Ų4765.2 Ų65.225%0.24634%0.344CS..Hα-helixtrans-58-44.9179-179.463.4000111.4N105 A106 L111 L112 N113 A119 L123 L127N105-L109 PolarHBondContact O-N 2.87Å; A106-L109 PolarHBondContact O-N 3.26Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L109-L111 PolarHBondContact O-N 3.48Å; L109-L112 PolarHBondContact O-N 3.17Å; L109-N113 WeakPolarHBondContact O-CB 3.35Å; L109-N113 PolarHBondContact O-N 3.34Å; L109-N113 PolarHBondContact O-ND2 3.22Å; L109-A119 HydrophobicContact CD1-CB 3.43Å; L109-A119 VanDerWaalsContact CD1-CB 3.43Å; L109-L123 HydrophobicContact CB-CD2 4.12Å; L109-L123 HydrophobicContact CD1-CD2 4.34Å; L109-L127 HydrophobicContact CB-CD1 3.97Å; L109-L127 HydrophobicContact CD2-CD1 3.6Å; L109-L127 HydrophobicContact CG-CD1 4.37Å
110Q97.9Very high97Very high145 Ų14560.9 Ų60.968%0.67832%0.321SS*.Hα-helixtrans-60.7-42.7175.9-174.1-178.67.200112A106 L108 R114A106-Q110 PolarHBondContact O-N 2.99Å; L108-Q110 VanDerWaalsContact C-N 3.31Å; L108-Q110 PolarHBondContact O-N 3.4Å; Q110-R114 WeakPolarHBondContact O-CB 3.5Å; Q110-R114 PolarHBondContact O-N 3.07Å
111L98.2Very high96.8Very high6 Ų660.6 Ų60.63%0.03133%0.33CS..Hα-helixtrans-63.7-48.6178179.161.3000111.6L10 E11 L14 A107 L108 L109 N113 R114 L115L10-L111 HydrophobicContact CB-CD2 4.09Å; L10-L111 HydrophobicContact CD2-CD2 3.8Å; L10-L111 HydrophobicContact CD2-CG 4.37Å; L10-L111 HydrophobicContact CG-CD2 4.05Å; E11-L111 HydrophobicContact CG-CD1 4.19Å; E11-L111 HydrophobicContact CG-CD2 3.84Å; L14-L111 HydrophobicContact CD1-CD1 4.22Å; A107-L111 WeakPolarHBondContact O-CB 3.37Å; A107-L111 PolarHBondContact O-N 3.48Å; L108-L111 WeakPolarHBondContact O-CB 3.45Å; L108-L111 PolarHBondContact O-N 2.93Å; L108-L111 VanDerWaalsContact O-N 3.11Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L109-L111 PolarHBondContact O-N 3.48Å; L111-N113 PolarHBondContact O-N 3.44Å; L111-R114 PolarHBondContact O-N 3.1Å; L111-L115 HydrophobicContact CD1-CD1 3.73Å; L111-L115 HydrophobicContact CD1-CG 4.18Å; L111-L115 HydrophobicContact CG-CD1 3.89Å; L111-L115 VanDerWaalsContact O-CG 3.23Å; L111-L115 WeakPolarHBondContact O-CG 3.35Å; L111-L115 PolarHBondContact O-N 2.94Å; L111-L115 VanDerWaalsContact O-N 3.1Å
112L98Very high96.7Very high2 Ų260.6 Ų60.61%0.0133%0.33CS..Hα-helixtrans-60-46.7179.3-66.3-179.3000111.2L10 I24 L108 L109 R114 L115 G116 Y117 L123L10-L112 HydrophobicContact CD2-CD2 4.23Å; I24-L112 HydrophobicContact CD1-CD2 3.41Å; I24-L112 VanDerWaalsContact CD1-CD2 3.41Å; L108-L112 HydrophobicContact CD1-CD1 4.15Å; L108-L112 HydrophobicContact CD1-CD2 4.21Å; L108-L112 HydrophobicContact CD1-CG 3.95Å; L108-L112 HydrophobicContact CD2-CD1 4.48Å; L108-L112 HydrophobicContact CG-CD1 3.99Å; L108-L112 HydrophobicContact CG-CG 4.18Å; L108-L112 WeakPolarHBondContact O-CG 3.41Å; L108-L112 PolarHBondContact O-N 3.31Å; L109-L112 PolarHBondContact O-N 3.17Å; L112-R114 PolarHBondContact O-N 3.15Å; L112-L115 CarbonylContact O-C 3.59Å; L112-L115 PolarHBondContact O-N 3.23Å; L112-L115 VanDerWaalsContact O-N 3.14Å; L112-G116 PolarHBondContact O-N 3.36Å; L112-Y117 HydrophobicContact CD2-CD2 3.98Å; L112-Y117 HydrophobicContact CD2-CG 4.26Å; L112-Y117 PolarHBondContact O-N 3.43Å; L112-L123 HydrophobicContact CD1-CD2 4.01Å
113N97.3Very high96.7Very high102 Ų10257 Ų5755%0.54532%0.315SS..Hα-helixtrans-59.4-44176.5-72-14.8000112.2L109 L111 L115 G116L109-N113 WeakPolarHBondContact O-CB 3.35Å; L109-N113 PolarHBondContact O-N 3.34Å; L109-N113 PolarHBondContact O-ND2 3.22Å; L111-N113 PolarHBondContact O-N 3.44Å; N113-L115 PolarHBondContact O-N 2.93Å; N113-G116 PolarHBondContact O-N 3.22Å
114R97.2Very high96.5Very high170 Ų17057 Ų5764%0.64231%0.306SS*.Hα-helixtrans-60.9-34.3177.7-179.7179.167.1172.1-3.3112.3E11 Q110 L111 L112E11-R114 IonicContact OE1-NH2 3.99Å; Q110-R114 WeakPolarHBondContact O-CB 3.5Å; Q110-R114 PolarHBondContact O-N 3.07Å; L111-R114 PolarHBondContact O-N 3.1Å; L112-R114 PolarHBondContact O-N 3.15Å
115L96.8Very high96.3Very high50 Ų5059.3 Ų59.326%0.26232%0.316SS..Hα-helixtrans-90.2-6.9-177.4-61.5172.5000113.2L14 A19 L111 L112 N113 Y117L14-L115 HydrophobicContact CD1-CD1 3.41Å; L14-L115 VanDerWaalsContact CD1-CD1 3.41Å; L14-L115 HydrophobicContact CD1-CD2 4.38Å; L14-L115 HydrophobicContact CD2-CD1 4.25Å; L14-L115 HydrophobicContact CG-CD1 4.49Å; A19-L115 HydrophobicContact CB-CB 4.42Å; A19-L115 HydrophobicContact CB-CD2 4.01Å; L111-L115 HydrophobicContact CD1-CD1 3.73Å; L111-L115 HydrophobicContact CD1-CG 4.18Å; L111-L115 HydrophobicContact CG-CD1 3.89Å; L111-L115 VanDerWaalsContact O-CG 3.23Å; L111-L115 WeakPolarHBondContact O-CG 3.35Å; L111-L115 PolarHBondContact O-N 2.94Å; L111-L115 VanDerWaalsContact O-N 3.1Å; L112-L115 CarbonylContact O-C 3.59Å; L112-L115 PolarHBondContact O-N 3.23Å; L112-L115 VanDerWaalsContact O-N 3.14Å; N113-L115 PolarHBondContact O-N 2.93Å; L115-Y117 HydrophobicContact CB-CD2 3.56Å; L115-Y117 HydrophobicContact CB-CE2 3.62Å; L115-Y117 HydrophobicContact CD1-CD2 4.17Å; L115-Y117 HydrophobicContact CD1-CE2 3.84Å; L115-Y117 HydrophobicContact CG-CE2 4.38Å
116G96.3Very high96.2Very high69 Ų6961.7 Ų61.771%0.71133%0.328SS*.THydrogen-bonded Turntrans80.418.5-179.400000114.8L112 N113L112-G116 PolarHBondContact O-N 3.36Å; N113-G116 PolarHBondContact O-N 3.22Å
117Y96.1Very high96.1Very high43 Ų4361.6 Ų61.617%0.16932%0.32CS..PPolyproline II helixtrans-81.8145.8171.6-64.8-75.3000111.1A19 I22 I24 L112 L115A19-Y117 HydrophobicContact CB-CE2 4.38Å; A19-Y117 PolarHBondContact O-OH 2.92Å; I22-Y117 WeakPolarHBondContact O-CE1 3.5Å; I22-Y117 PolarHBondContact O-OH 2.87Å; I24-Y117 HydrophobicContact CB-CD1 4.42Å; I24-Y117 HydrophobicContact CD1-CD1 4.17Å; I24-Y117 HydrophobicContact CD1-CD2 3.78Å; I24-Y117 HydrophobicContact CD1-CE1 4.15Å; I24-Y117 HydrophobicContact CD1-CE2 3.77Å; I24-Y117 HydrophobicContact CD1-CG 3.99Å; I24-Y117 HydrophobicContact CG1-CD1 4.32Å; I24-Y117 HydrophobicContact CG1-CE1 4.1Å; L112-Y117 HydrophobicContact CD2-CD2 3.98Å; L112-Y117 HydrophobicContact CD2-CG 4.26Å; L112-Y117 PolarHBondContact O-N 3.43Å; L115-Y117 HydrophobicContact CB-CD2 3.56Å; L115-Y117 HydrophobicContact CB-CE2 3.62Å; L115-Y117 HydrophobicContact CD1-CD2 4.17Å; L115-Y117 HydrophobicContact CD1-CE2 3.84Å; L115-Y117 HydrophobicContact CG-CE2 4.38Å
118E94.1Very high95.8Very high183 Ų18367.9 Ų67.986%0.85534%0.336SS*.PPolyproline II helixtrans-69.7132165.6-172.3173.4-178.900110
119A94.8Very high95.4Very high9 Ų971 Ų717%0.07435%0.35CS..PPolyproline II helixtrans-78127.5-18000000110.8L109 L123 Q124L109-A119 HydrophobicContact CD1-CB 3.43Å; L109-A119 VanDerWaalsContact CD1-CB 3.43Å; A119-L123 HydrophobicContact CB-CD2 4.5Å; A119-Q124 HydrophobicContact CB-CG 4.29Å; A119-Q124 PolarHBondContact O-NE2 3.37Å; A119-Q124 VanDerWaalsContact O-NE2 3.17Å
120P95.4Very high94.4Very high15 Ų1569.3 Ų69.310%0.09734%0.343CS..PPolyproline II helixtrans-51145.7176.3-30.336.8000113.5D26 W122 L123 Q124D26-P120 HydrophobicContact CB-CB 4.22Å; D26-P120 HydrophobicContact CB-CG 4.45Å; D26-P120 WeakPolarHBondContact OD2-CA 3.15Å; D26-P120 WeakPolarHBondContact OD2-CB 3.39Å; P120-W122 VanDerWaalsContact C-N 3.33Å; P120-W122 VanDerWaalsContact CB-CD1 3.49Å; P120-W122 HydrophobicContact CB-CG 4.34Å; P120-W122 PolarHBondContact O-N 3.01Å; P120-L123 HydrophobicContact CB-CB 4.43Å; P120-L123 WeakPolarHBondContact O-CB 3.24Å; P120-L123 PolarHBondContact O-N 2.94Å; P120-L123 VanDerWaalsContact O-N 3.12Å; P120-Q124 PolarHBondContact O-N 3.29Å
121S91.8Very high92.5Very high72 Ų7270.8 Ų70.850%0.50336%0.361SS..Hα-helixtrans-59.7-42.1-175.958.10000112.8D26 L123 Q124 Q125D26-S121 PolarHBondContact OD2-N 2.99Å; S121-L123 VanDerWaalsContact C-N 3.29Å; S121-L123 PolarHBondContact O-N 3.38Å; S121-Q124 PolarHBondContact O-N 3.09Å; S121-Q125 PolarHBondContact O-N 2.76Å; S121-Q125 VanDerWaalsContact O-N 3.07Å
122W95.2Very high92.2Very high53 Ų5374 Ų7420%0.20138%0.378CS..Hα-helixtrans-59.8-38.2177.770-97.1000112Y6 E28 L108 P120 Q124 Q125 E126Y6-W122 AromaticContact CD2-CH2 3.99Å; Y6-W122 HydrophobicContact CD2-CH2 3.99Å; Y6-W122 HydrophobicContact CD2-CZ2 4.45Å; Y6-W122 AromaticContact CE2-CH2 3.62Å; Y6-W122 HydrophobicContact CE2-CH2 3.62Å; Y6-W122 HydrophobicContact CE2-CZ2 4.06Å; E28-W122 HydrophobicContact CG-CB 4.29Å; L108-W122 HydrophobicContact CD2-CH2 4.31Å; P120-W122 VanDerWaalsContact C-N 3.33Å; P120-W122 VanDerWaalsContact CB-CD1 3.49Å; P120-W122 HydrophobicContact CB-CG 4.34Å; P120-W122 PolarHBondContact O-N 3.01Å; W122-Q124 PolarHBondContact O-N 2.88Å; W122-Q125 PolarHBondContact O-N 3.42Å; W122-E126 HydrophobicContact CE3-CG 4.36Å; W122-E126 WeakPolarHBondContact CZ3-OE2 3.5Å; W122-E126 WeakPolarHBondContact O-CB 3.37Å; W122-E126 WeakPolarHBondContact O-CG 3.19Å; W122-E126 PolarHBondContact O-N 2.75Å
123L96.9Very high91.9Very high0 Ų077.8 Ų77.80%040%0.397CS..Hα-helixtrans-65.5-43.7-178.1177.662000110.7N105 L108 L109 L112 A119 P120 S121 Q125 L127N105-L123 HydrophobicContact CB-CD1 3.5Å; L108-L123 HydrophobicContact CB-CD2 4.45Å; L108-L123 HydrophobicContact CD2-CD1 4.2Å; L108-L123 HydrophobicContact CD2-CD2 3.79Å; L108-L123 HydrophobicContact CG-CD2 3.95Å; L109-L123 HydrophobicContact CB-CD2 4.12Å; L109-L123 HydrophobicContact CD1-CD2 4.34Å; L112-L123 HydrophobicContact CD1-CD2 4.01Å; A119-L123 HydrophobicContact CB-CD2 4.5Å; P120-L123 HydrophobicContact CB-CB 4.43Å; P120-L123 WeakPolarHBondContact O-CB 3.24Å; P120-L123 PolarHBondContact O-N 2.94Å; P120-L123 VanDerWaalsContact O-N 3.12Å; S121-L123 VanDerWaalsContact C-N 3.29Å; S121-L123 PolarHBondContact O-N 3.38Å; L123-Q125 VanDerWaalsContact C-N 3.33Å; L123-L127 HydrophobicContact CD1-CD1 4.21Å; L123-L127 HydrophobicContact CG-CD1 4.3Å; L123-L127 WeakPolarHBondContact O-CB 3.42Å; L123-L127 WeakPolarHBondContact O-CG 3.15Å; L123-L127 PolarHBondContact O-N 3.09Å
124Q93.1Very high91.6Very high82 Ų8276.4 Ų76.438%0.38339%0.389SS..Hα-helixtrans-66.7-37.6177.5-56.8-177.420.500111.5A119 P120 S121 W122 R128A119-Q124 HydrophobicContact CB-CG 4.29Å; A119-Q124 PolarHBondContact O-NE2 3.37Å; A119-Q124 VanDerWaalsContact O-NE2 3.17Å; P120-Q124 PolarHBondContact O-N 3.29Å; S121-Q124 PolarHBondContact O-N 3.09Å; W122-Q124 PolarHBondContact O-N 2.88Å; Q124-R128 WeakPolarHBondContact O-CG 3.42Å; Q124-R128 PolarHBondContact O-N 3.01Å; Q124-R128 PolarHBondContact O-NH1 3.48Å
125Q94.1Very high91.3Very high96 Ų9670.9 Ų70.945%0.44937%0.374SS..Hα-helixtrans-66.3-50.4177.2178.4175.7-5.100111.8S121 W122 L123 L127 R128 E129S121-Q125 PolarHBondContact O-N 2.76Å; S121-Q125 VanDerWaalsContact O-N 3.07Å; W122-Q125 PolarHBondContact O-N 3.42Å; L123-Q125 VanDerWaalsContact C-N 3.33Å; Q125-L127 VanDerWaalsContact C-N 3.29Å; Q125-L127 PolarHBondContact O-N 3.21Å; Q125-R128 WeakPolarHBondContact O-CB 3.36Å; Q125-R128 PolarHBondContact O-N 3.33Å; Q125-E129 HydrophobicContact CG-CG 4.43Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.44Å; Q125-E129 PolarHBondContact NE2-OE1 3.28Å; Q125-E129 PolarHBondContact O-N 3.36Å
126E95.1Very high91Very high56 Ų5672.3 Ų72.326%0.26238%0.381SS..Hα-helixtrans-61.8-37.1-178.9-72.8-173.2174.500112.5L98 N105 W122 R128 E129 A130L98-E126 HydrophobicContact CD2-CB 3.95Å; L98-E126 HydrophobicContact CD2-CG 3.74Å; N105-E126 PolarHBondContact ND2-OE2 2.92Å; W122-E126 HydrophobicContact CE3-CG 4.36Å; W122-E126 WeakPolarHBondContact CZ3-OE2 3.5Å; W122-E126 WeakPolarHBondContact O-CB 3.37Å; W122-E126 WeakPolarHBondContact O-CG 3.19Å; W122-E126 PolarHBondContact O-N 2.75Å; E126-R128 PolarHBondContact O-N 2.73Å; E126-E129 PolarHBondContact O-N 3.01Å; E126-A130 WeakPolarHBondContact O-CB 3.35Å; E126-A130 PolarHBondContact O-N 3.08Å
127L94.8Very high90.6Very high44 Ų4472.5 Ų72.523%0.2336%0.359CS..Hα-helixtrans-66.9-24.9175.6-74.5171.8000113.3N105 A106 L109 L123 Q125N105-L127 HydrophobicContact CB-CD2 3.82Å; N105-L127 HydrophobicContact CB-CG 4.15Å; A106-L127 HydrophobicContact CB-CD2 4.18Å; L109-L127 HydrophobicContact CB-CD1 3.97Å; L109-L127 HydrophobicContact CD2-CD1 3.6Å; L109-L127 HydrophobicContact CG-CD1 4.37Å; L123-L127 HydrophobicContact CD1-CD1 4.21Å; L123-L127 HydrophobicContact CG-CD1 4.3Å; L123-L127 WeakPolarHBondContact O-CB 3.42Å; L123-L127 WeakPolarHBondContact O-CG 3.15Å; L123-L127 PolarHBondContact O-N 3.09Å; Q125-L127 VanDerWaalsContact C-N 3.29Å; Q125-L127 PolarHBondContact O-N 3.21Å
128R91.5Very high90.2Very high171 Ų17174.6 Ų74.665%0.64537%0.373SS*.Hα-helixtrans-80.8-33.1171.5-68.9-175.2-63.1-97.43.9112.5Q124 Q125 E126Q124-R128 WeakPolarHBondContact O-CG 3.42Å; Q124-R128 PolarHBondContact O-N 3.01Å; Q124-R128 PolarHBondContact O-NH1 3.48Å; Q125-R128 WeakPolarHBondContact O-CB 3.36Å; Q125-R128 PolarHBondContact O-N 3.33Å; E126-R128 PolarHBondContact O-N 2.73Å
129E89.8Confident89.9Confident75 Ų7566.2 Ų66.235%0.3534%0.336SS..Hα-helixtrans-80.2-25.8-178.9-72.1-179.4-161.800113.7R94 Q125 E126 V131R94-E129 IonicContact CZ-OE2 3.29Å; R94-E129 IonicContact NH2-OE1 2.75Å; R94-E129 IonicContact NH2-OE2 3.82Å; R94-E129 PolarHBondContact NH2-OE2 3.49Å; Q125-E129 HydrophobicContact CG-CG 4.43Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.44Å; Q125-E129 PolarHBondContact NE2-OE1 3.28Å; Q125-E129 PolarHBondContact O-N 3.36Å; E126-E129 PolarHBondContact O-N 3.01Å; E129-V131 VanDerWaalsContact C-N 3.26Å; E129-V131 PolarHBondContact O-N 3.4Å
130A77Confident89.5Confident13 Ų1371 Ų7111%0.10736%0.357CS..  trans-72.380.817900000110.5K102 E126K102-A130 HydrophobicContact CB-CB 4.18Å; K102-A130 HydrophobicContact CD-CB 3.84Å; K102-A130 WeakPolarHBondContact CE-O 3.4Å; K102-A130 HydrophobicContact CG-CB 3.85Å; K102-A130 PolarHBondContact NZ-O 2.83Å; E126-A130 WeakPolarHBondContact O-CB 3.35Å; E126-A130 PolarHBondContact O-N 3.08Å
131V59.3Low89Confident175 Ų17576.1 Ų76.1100%1.06138%0.381SS*.  trans-73.20169.1-178.80000109.1K102 E129K102-V131 PolarHBondContact NZ-OXT 2.85Å; E129-V131 VanDerWaalsContact C-N 3.26Å; E129-V131 PolarHBondContact O-N 3.4Å

Retrieved 131 of 131 residues in 917.6 ms (Link to these results)

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