A0A077Z4G6_TRITR Loading...

Heterogeneous nuclear ribonucleoprotein u like 1

AlphaFold DB , UniProt , Accession A0A077Z4G6, 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
1M28.2Very low47.7Very low197 Ų19765.2 Ų65.297%0.9735%0.345SS*.  0118.60-66.8-179-179.900106.6F3M1-F3 PolarHBondContact O-N 3.1Å
2H30.1Very low48.7Very low181 Ų18164.8 Ų64.884%0.83834%0.343SS*.PPolyproline II helixtrans-76.4116.1173.7-105.7111.6000108
3F34.1Very low49.5Very low69 Ų6962.8 Ų62.830%0.30334%0.336SS..PPolyproline II helixtrans-76.3135.6169.5-69.2-83.2000107.9M1 A107M1-F3 PolarHBondContact O-N 3.1Å; F3-A107 HydrophobicContact CD1-CB 3.62Å; F3-A107 HydrophobicContact CE1-CB 3.26Å; F3-A107 HydrophobicContact CZ-CB 4.15Å
4G43.1Very low50.4Low14 Ų1470.4 Ų70.414%0.14437%0.365CS..PPolyproline II helixtrans-71.2160.117600000110.3F6 S72G4-F6 PolarHBondContact O-N 3.45Å; G4-S72 WeakPolarHBondContact CA-O 3.48Å
5P51.4Low51.1Low74 Ų7469.3 Ų69.348%0.48136%0.359SS..PPolyproline II helixtrans-62.4123179.826.1-32.8000109.6
6F52.6Low51.5Low4 Ų464.9 Ų64.92%0.01834%0.337CS..EExtended strand (participates in β ladder)trans-72.6143.8168.3-74.7-93.7000108.3G4 P42 L43 P45 V69 T70 H71 A107 M110G4-F6 PolarHBondContact O-N 3.45Å; F6-P42 CarbonylContact O-C 3Å; F6-P42 WeakPolarHBondContact O-CA 3.16Å; F6-L43 HydrophobicContact CB-CB 3.82Å; F6-L43 HydrophobicContact CB-CD1 3.98Å; F6-L43 HydrophobicContact CB-CG 4.21Å; F6-L43 PolarHBondContact N-O 3Å; F6-L43 PolarHBondContact O-N 2.88Å; F6-P45 HydrophobicContact CD2-CB 4.16Å; F6-P45 HydrophobicContact CD2-CG 3.58Å; F6-P45 HydrophobicContact CE2-CB 4.13Å; F6-P45 HydrophobicContact CE2-CG 3.71Å; F6-V69 HydrophobicContact CD1-CG1 4.39Å; F6-T70 CarbonylContact C-O 3.12Å; F6-T70 WeakPolarHBondContact CA-O 3.4Å; F6-H71 HydrophobicContact CD1-CB 3.7Å; F6-H71 AromaticContact CD1-CD2 3.57Å; F6-H71 AromaticContact CD1-CG 3.97Å; F6-H71 AromaticContact CD2-CD2 3.69Å; F6-H71 HydrophobicContact CE1-CB 3.66Å; F6-H71 AromaticContact CE1-CD2 3.26Å; F6-H71 WeakPolarHBondContact CE1-CD2 3.24Å; F6-H71 AromaticContact CE1-CG 3.63Å; F6-H71 AromaticContact CE2-CD2 3.4Å; F6-H71 VanDerWaalsContact CE2-CD2 3.4Å; F6-H71 WeakPolarHBondContact CE2-CD2 3.18Å; F6-H71 AromaticContact CE2-NE2 3.85Å; F6-H71 AromaticContact CG-CD2 3.78Å; F6-H71 HydrophobicContact CZ-CB 4.46Å; F6-H71 AromaticContact CZ-CD2 3.18Å; F6-H71 WeakPolarHBondContact CZ-CD2 3.33Å; F6-H71 AromaticContact CZ-CG 3.95Å; F6-H71 AromaticContact CZ-NE2 3.75Å; F6-A107 HydrophobicContact CZ-CB 4.13Å; F6-M110 HydrophobicContact CE1-CB 4.27Å; F6-M110 HydrophobicContact CE1-CE 4.39Å; F6-M110 HydrophobicContact CE1-CG 3.9Å
7Q54.3Low52Low48 Ų4868.4 Ų68.422%0.22435%0.351CS..EExtended strand (participates in β ladder)trans-129.6119177.5-66.1-17316.800110.9I41 T70Q7-I41 CarbonylContact C-O 3.44Å; Q7-I41 VanDerWaalsContact CA-O 3.27Å; Q7-I41 WeakPolarHBondContact CA-O 3.31Å; Q7-T70 PolarHBondContact N-O 2.77Å; Q7-T70 PolarHBondContact O-N 2.77Å
8L58Low52.4Low0 Ų068.5 Ų68.50%036%0.364CS..EExtended strand (participates in β ladder)trans-80.9114.2173.2-93.4-172.5000109.5P10 L23 G40 I41 L43 L57 A60 V66 V69 L120L8-P10 WeakPolarHBondContact O-CD 3.22Å; L8-L23 HydrophobicContact CD1-CD1 4.19Å; L8-L23 HydrophobicContact CD1-CD2 3.39Å; L8-L23 HydrophobicContact CD1-CG 4.43Å; L8-G40 CarbonylContact O-C 3.21Å; L8-G40 WeakPolarHBondContact O-CA 3.26Å; L8-I41 HydrophobicContact CB-CB 3.72Å; L8-I41 HydrophobicContact CB-CG1 4.45Å; L8-I41 HydrophobicContact CB-CG2 4.44Å; L8-I41 WeakPolarHBondContact CB-O 3.26Å; L8-I41 PolarHBondContact N-O 3.39Å; L8-I41 PolarHBondContact O-N 2.54Å; L8-L43 HydrophobicContact CD1-CD1 4.5Å; L8-L43 HydrophobicContact CD1-CD2 3.62Å; L8-L43 HydrophobicContact CD1-CG 4.28Å; L8-L43 HydrophobicContact CD2-CD1 4.41Å; L8-L43 HydrophobicContact CG-CD1 3.96Å; L8-L43 HydrophobicContact CG-CD2 3.89Å; L8-L43 HydrophobicContact CG-CG 3.98Å; L8-L57 HydrophobicContact CD1-CD2 4.1Å; L8-L57 HydrophobicContact CD2-CD2 3.51Å; L8-L57 HydrophobicContact CG-CD2 4.06Å; L8-A60 HydrophobicContact CD1-CB 4.26Å; L8-V66 HydrophobicContact CB-CG1 3.67Å; L8-V66 HydrophobicContact CD1-CG1 4.09Å; L8-V66 HydrophobicContact CD1-CG2 4.42Å; L8-V66 HydrophobicContact CD2-CB 3.96Å; L8-V66 HydrophobicContact CD2-CG1 3.76Å; L8-V66 HydrophobicContact CD2-CG2 3.92Å; L8-V66 HydrophobicContact CG-CG1 4.02Å; L8-V69 HydrophobicContact CD2-CB 4.3Å; L8-V69 HydrophobicContact CD2-CG1 4.19Å; L8-V69 HydrophobicContact CD2-CG2 3.59Å; L8-L120 HydrophobicContact CD2-CD2 4.37Å
9L56.1Low52.5Low49 Ų4965 Ų6526%0.25735%0.345SS..EExtended strand (participates in β ladder)trans-82114.1-178.6-70.3170.3000110.2S11 V66 S68 T70 T79L9-S11 PolarHBondContact O-N 2.84Å; L9-S11 VanDerWaalsContact O-N 3.16Å; L9-V66 WeakPolarHBondContact O-CG1 3.19Å; L9-S68 PolarHBondContact N-O 3.31Å; L9-S68 VanDerWaalsContact N-O 3.11Å; L9-T70 WeakPolarHBondContact CD1-OG1 3.48Å; L9-T79 HydrophobicContact CD1-CG2 3.92Å
10P59.2Low52.6Low21 Ų2163.3 Ų63.314%0.13634%0.336CS..EExtended strand (participates in β ladder)trans-69.6112.818029.3-35.6000109.9L8 C16 L36 C65L8-P10 WeakPolarHBondContact O-CD 3.22Å; P10-C16 WeakPolarHBondContact CB-SG 3.1Å; P10-L36 WeakPolarHBondContact CG-O 3.44Å; P10-C65 CarbonylContact C-O 3.13Å; P10-C65 VanDerWaalsContact CA-O 3.22Å; P10-C65 WeakPolarHBondContact CA-O 3.18Å
11S57.8Low52.8Low60 Ų6065.3 Ų65.342%0.4235%0.353SS..SBendtrans-76.5-31.7171.9-60.70000111.5L9 C65 D67L9-S11 PolarHBondContact O-N 2.84Å; L9-S11 VanDerWaalsContact O-N 3.16Å; S11-C65 PolarHBondContact N-O 3.4Å; S11-D67 WeakPolarHBondContact CB-OD2 3.43Å; S11-D67 VanDerWaalsContact OG-CB 3.25Å; S11-D67 WeakPolarHBondContact OG-CB 3.39Å; S11-D67 PolarHBondContact OG-N 3.46Å; S11-D67 PolarHBondContact OG-OD2 2.9Å
12N59.6Low53.9Low61 Ų6162.8 Ų62.833%0.32633%0.333SS..SBendtrans-134.694.4172.7-169.8-15.3000110.4K14 N15 C16 C65N12-K14 PolarHBondContact O-N 3.49Å; N12-K14 VanDerWaalsContact O-N 3.14Å; N12-K14 PolarHBondContact OD1-N 3.17Å; N12-N15 HydrophobicContact CB-CB 4.18Å; N12-N15 PolarHBondContact ND2-ND2 3.39Å; N12-N15 PolarHBondContact O-N 2.89Å; N12-C16 PolarHBondContact O-N 3.46Å; N12-C16 VanDerWaalsContact O-N 3.17Å; N12-C16 PolarHBondContact O-SG 3.46Å; N12-C65 PolarHBondContact N-O 3.35Å
13P58.6Low55.1Low39 Ų3954.4 Ų54.425%0.25330%0.295SS..Hα-helixtrans-44.4-43.2176.8-37.942000115.4N15 C16 E17 L36P13-N15 VanDerWaalsContact C-N 3.3Å; P13-N15 PolarHBondContact O-N 3.19Å; P13-C16 VanDerWaalsContact O-CB 3.32Å; P13-C16 WeakPolarHBondContact O-CB 3.33Å; P13-C16 PolarHBondContact O-N 2.79Å; P13-C16 VanDerWaalsContact O-N 3.12Å; P13-E17 PolarHBondContact O-N 2.72Å; P13-L36 HydrophobicContact CB-CB 3.53Å; P13-L36 HydrophobicContact CB-CD1 4.05Å; P13-L36 HydrophobicContact CB-CG 4.42Å; P13-L36 HydrophobicContact CG-CB 3.96Å; P13-L36 WeakPolarHBondContact CG-O 3.47Å
14K62.7Low55.9Low169 Ų16951.9 Ų51.974%0.73529%0.285SS*.Hα-helixtrans-66.2-35.6-176.5-64.5-175.3178.1-176.80111.8N12 C16N12-K14 PolarHBondContact O-N 3.49Å; N12-K14 VanDerWaalsContact O-N 3.14Å; N12-K14 PolarHBondContact OD1-N 3.17Å; K14-C16 VanDerWaalsContact C-N 3.32Å
15N60.6Low56.1Low53 Ų5352.6 Ų52.628%0.28329%0.288SS..Hα-helixtrans-75.3-27.9176.8-69.1-1.6000111.8N12 P13 E17 A18 A63N12-N15 HydrophobicContact CB-CB 4.18Å; N12-N15 PolarHBondContact ND2-ND2 3.39Å; N12-N15 PolarHBondContact O-N 2.89Å; P13-N15 VanDerWaalsContact C-N 3.3Å; P13-N15 PolarHBondContact O-N 3.19Å; N15-E17 VanDerWaalsContact C-N 3.25Å; N15-E17 PolarHBondContact O-N 3.16Å; N15-A18 PolarHBondContact O-N 2.82Å; N15-A63 VanDerWaalsContact CB-O 3.24Å; N15-A63 WeakPolarHBondContact CB-O 3.34Å; N15-A63 PolarHBondContact ND2-O 2.98Å
16C57.4Low55.8Low0 Ų052.8 Ų52.80%029%0.289CS..Hα-helixtrans-62.8-34175.3-65.70000112.2P10 N12 P13 K14 A18 A19 L20 I41 C65P10-C16 WeakPolarHBondContact CB-SG 3.1Å; N12-C16 PolarHBondContact O-N 3.46Å; N12-C16 VanDerWaalsContact O-N 3.17Å; N12-C16 PolarHBondContact O-SG 3.46Å; P13-C16 VanDerWaalsContact O-CB 3.32Å; P13-C16 WeakPolarHBondContact O-CB 3.33Å; P13-C16 PolarHBondContact O-N 2.79Å; P13-C16 VanDerWaalsContact O-N 3.12Å; K14-C16 VanDerWaalsContact C-N 3.32Å; C16-A18 PolarHBondContact O-N 3.41Å; C16-A19 CarbonylContact O-C 3.44Å; C16-A19 WeakPolarHBondContact O-CA 3.1Å; C16-A19 PolarHBondContact O-N 2.86Å; C16-L20 HydrophobicContact CB-CD2 4.28Å; C16-L20 WeakPolarHBondContact O-CD2 3.17Å; C16-L20 WeakPolarHBondContact O-CG 3.04Å; C16-L20 PolarHBondContact O-N 3.48Å; C16-I41 HydrophobicContact CB-CD1 4.25Å; C16-C65 WeakPolarHBondContact CA-SG 3.4Å; C16-C65 HydrophobicContact CB-CB 3.88Å; C16-C65 WeakPolarHBondContact CB-SG 3.26Å; C16-C65 WeakPolarHBondContact SG-CA 3.49Å; C16-C65 WeakPolarHBondContact SG-CB 3.25Å; C16-C65 PolarHBondContact SG-O 3.12Å; C16-C65 CovalentContact SG-SG 2.02Å; C16-C65 PolarHBondContact SG-SG 2.95Å
17E60.3Low55.5Low124 Ų12455.2 Ų55.258%0.57931%0.307SS*.Hα-helixtrans-50.4-40.6175.9-68.6-168.1143.700113.1P13 N15 L20 L36P13-E17 PolarHBondContact O-N 2.72Å; N15-E17 VanDerWaalsContact C-N 3.25Å; N15-E17 PolarHBondContact O-N 3.16Å; E17-L20 VanDerWaalsContact CA-CG 3.48Å; E17-L20 HydrophobicContact CB-CD1 4.39Å; E17-L20 HydrophobicContact CG-CD1 4.26Å; E17-L20 WeakPolarHBondContact O-CG 3.02Å; E17-L20 PolarHBondContact O-N 2.81Å; E17-L36 HydrophobicContact CG-CD1 4.29Å
18A59.2Low55.3Low70 Ų7062.4 Ų62.458%0.57934%0.337SS*.Hα-helixtrans-73.2-27.2176.800000113.4N15 C16N15-A18 PolarHBondContact O-N 2.82Å; C16-A18 PolarHBondContact O-N 3.41Å
19A54.3Low54.8Low2 Ų270 Ų702%0.01737%0.37CS..Hα-helixtrans-87-18.9176.600000113.2C16 Y22 L23 A60 A63 C65C16-A19 CarbonylContact O-C 3.44Å; C16-A19 WeakPolarHBondContact O-CA 3.1Å; C16-A19 PolarHBondContact O-N 2.86Å; A19-Y22 WeakPolarHBondContact O-CB 3.49Å; A19-Y22 PolarHBondContact O-N 3.49Å; A19-L23 HydrophobicContact CB-CD1 4.1Å; A19-L23 HydrophobicContact CB-CG 4.39Å; A19-L23 WeakPolarHBondContact O-CG 3.1Å; A19-L23 PolarHBondContact O-N 3.12Å; A19-A60 HydrophobicContact CB-CB 4.33Å; A19-A63 HydrophobicContact CB-CB 4.05Å; A19-C65 HydrophobicContact CB-CB 4.34Å
20L55.4Low54.4Low30 Ų3068.3 Ų68.316%0.15736%0.363CS..THydrogen-bonded Turntrans-53-41.6-175.5-54-176.5000114.6C16 E17 Y22 L23 W31C16-L20 HydrophobicContact CB-CD2 4.28Å; C16-L20 WeakPolarHBondContact O-CD2 3.17Å; C16-L20 WeakPolarHBondContact O-CG 3.04Å; C16-L20 PolarHBondContact O-N 3.48Å; E17-L20 VanDerWaalsContact CA-CG 3.48Å; E17-L20 HydrophobicContact CB-CD1 4.39Å; E17-L20 HydrophobicContact CG-CD1 4.26Å; E17-L20 WeakPolarHBondContact O-CG 3.02Å; E17-L20 PolarHBondContact O-N 2.81Å; L20-Y22 PolarHBondContact O-N 2.71Å; L20-Y22 VanDerWaalsContact O-N 3.15Å; L20-L23 PolarHBondContact O-N 2.93Å; L20-W31 HydrophobicContact CB-CD2 4.36Å; L20-W31 HydrophobicContact CB-CH2 4.42Å; L20-W31 HydrophobicContact CB-CZ2 4.09Å; L20-W31 HydrophobicContact CD1-CD2 4.25Å; L20-W31 HydrophobicContact CD1-CE3 4.22Å; L20-W31 HydrophobicContact CD1-CG 4.5Å; L20-W31 HydrophobicContact CD2-CD2 3.93Å; L20-W31 HydrophobicContact CD2-CE3 3.47Å; L20-W31 VanDerWaalsContact CD2-CE3 3.47Å; L20-W31 HydrophobicContact CD2-CH2 3.24Å; L20-W31 HydrophobicContact CD2-CZ2 3.77Å; L20-W31 HydrophobicContact CD2-CZ3 3.13Å; L20-W31 HydrophobicContact CG-CD2 4.39Å; L20-W31 HydrophobicContact CG-CE3 4.32Å; L20-W31 HydrophobicContact CG-CH2 4.37Å; L20-W31 HydrophobicContact CG-CZ2 4.49Å; L20-W31 HydrophobicContact CG-CZ3 4.34Å
21P55.6Low53.9Low106 Ų10670.4 Ų70.469%0.68837%0.368SS*.THydrogen-bonded Turntrans-61.8-24.3-180-2335.1000112.6
22Y52.6Low53.4Low144 Ų14476.2 Ų76.257%0.56539%0.385SS*.THydrogen-bonded Turntrans-100.9-15.4-177.1-50.9-78.8000113.1A19 L20 A56 L59A19-Y22 WeakPolarHBondContact O-CB 3.49Å; A19-Y22 PolarHBondContact O-N 3.49Å; L20-Y22 PolarHBondContact O-N 2.71Å; L20-Y22 VanDerWaalsContact O-N 3.15Å; Y22-A56 WeakPolarHBondContact O-CB 3.42Å; Y22-L59 VanDerWaalsContact CB-CD1 3.46Å; Y22-L59 HydrophobicContact CD1-CD1 3.69Å; Y22-L59 HydrophobicContact CD2-CD1 4.3Å; Y22-L59 HydrophobicContact CE1-CD1 4.5Å; Y22-L59 HydrophobicContact CG-CD1 3.56Å
23L53.8Low52.5Low6 Ų679.9 Ų79.93%0.03141%0.405CS..SBendtrans-81.8125.8177.4-76.8175.5000109.3L8 A19 L20 C25 W31 I41 L43 A56 A60L8-L23 HydrophobicContact CD1-CD1 4.19Å; L8-L23 HydrophobicContact CD1-CD2 3.39Å; L8-L23 HydrophobicContact CD1-CG 4.43Å; A19-L23 HydrophobicContact CB-CD1 4.1Å; A19-L23 HydrophobicContact CB-CG 4.39Å; A19-L23 WeakPolarHBondContact O-CG 3.1Å; A19-L23 PolarHBondContact O-N 3.12Å; L20-L23 PolarHBondContact O-N 2.93Å; L23-C25 PolarHBondContact O-N 3.26Å; L23-W31 HydrophobicContact CB-CH2 3.94Å; L23-W31 HydrophobicContact CB-CZ2 3.77Å; L23-W31 HydrophobicContact CD1-CH2 4.12Å; L23-I41 HydrophobicContact CB-CG2 4.43Å; L23-I41 HydrophobicContact CD1-CD1 3.52Å; L23-I41 HydrophobicContact CD1-CG2 4.24Å; L23-L43 HydrophobicContact CD2-CD2 4.42Å; L23-A56 HydrophobicContact CD2-CB 4.15Å; L23-A60 HydrophobicContact CD1-CB 4Å; L23-A60 HydrophobicContact CD2-CB 3.63Å; L23-A60 HydrophobicContact CG-CB 4.14Å
24P50.4Low51.9Low15 Ų1582.1 Ų82.110%0.09741%0.409CS..  trans-60.7118.1177.124.6-34.1000108.5L43 L48 L53 A56P24-L43 HydrophobicContact CG-CB 4.33Å; P24-L43 HydrophobicContact CG-CD2 3.66Å; P24-L48 HydrophobicContact CB-CD1 3.33Å; P24-L48 HydrophobicContact CB-CD2 3.96Å; P24-L48 HydrophobicContact CB-CG 3.49Å; P24-L48 VanDerWaalsContact CB-CG 3.49Å; P24-L48 HydrophobicContact CG-CD1 3.29Å; P24-L48 HydrophobicContact CG-CG 3.98Å; P24-L53 HydrophobicContact CG-CD1 4.22Å; P24-A56 VanDerWaalsContact CD-CB 3.41Å; P24-A56 HydrophobicContact CG-CB 4.44Å
25C47.8Very low51.1Low29 Ų2981 Ų8120%0.19641%0.41CS..  trans-120.7129.6160-132.90000111.4L23 S27 C30 W31L23-C25 PolarHBondContact O-N 3.26Å; C25-S27 PolarHBondContact O-N 3.33Å; C25-C30 HydrophobicContact CB-CB 3.51Å; C25-C30 WeakPolarHBondContact CB-SG 3.32Å; C25-C30 WeakPolarHBondContact SG-CB 3.28Å; C25-C30 CovalentContact SG-SG 1.97Å; C25-C30 PolarHBondContact SG-SG 3.11Å; C25-W31 HydrophobicContact CB-CZ2 3.95Å
26P45.3Very low50.5Low78 Ų7880.2 Ų80.251%0.50641%0.406SS..SBendtrans-63.7-8.6-176.623-33.4000113A44P26-A44 HydrophobicContact CB-CB 3.88Å; P26-A44 HydrophobicContact CG-CB 3.87Å
27S47.1Very low49.8Very low56 Ų5683.2 Ų83.239%0.39244%0.437SS..SBendtrans-153.9154.8171.274.60000113.7C25 K29 C30C25-S27 PolarHBondContact O-N 3.33Å; S27-K29 PolarHBondContact O-N 3.43Å; S27-K29 PolarHBondContact OG-N 3.34Å; S27-C30 WeakPolarHBondContact O-CB 3.31Å; S27-C30 PolarHBondContact O-N 3.2Å; S27-C30 PolarHBondContact OG-N 2.99Å
28K48.7Very low48.9Very low199 Ų19988.3 Ų88.387%0.86545%0.451SS*.THydrogen-bonded Turntrans-55.3-21.6167.5-66.7-176179.4-179.50113.2
29K47.5Very low48.4Very low158 Ų15886.6 Ų86.669%0.68744%0.437SS*.Hα-helixtrans-79.8-20179.2-66.5-175.6179.61800113.4S27 W31 K32S27-K29 PolarHBondContact O-N 3.43Å; S27-K29 PolarHBondContact OG-N 3.34Å; K29-W31 PolarHBondContact O-N 3.14Å; K29-K32 PolarHBondContact O-N 2.77Å
30C49.3Very low48.2Very low15 Ų1586.5 Ų86.510%0.10144%0.436CS..Hα-helixtrans-53.9-40.3177.7161.50000112.9C25 S27C25-C30 HydrophobicContact CB-CB 3.51Å; C25-C30 WeakPolarHBondContact CB-SG 3.32Å; C25-C30 WeakPolarHBondContact SG-CB 3.28Å; C25-C30 CovalentContact SG-SG 1.97Å; C25-C30 PolarHBondContact SG-SG 3.11Å; S27-C30 WeakPolarHBondContact O-CB 3.31Å; S27-C30 PolarHBondContact O-N 3.2Å; S27-C30 PolarHBondContact OG-N 2.99Å
31W48.1Very low48.2Very low65 Ų6585.2 Ų85.225%0.24643%0.43CS..Hα-helixtrans-85.9-32.3-177.4-57.2124.8000113.2L20 L23 C25 K29 N33 I41L20-W31 HydrophobicContact CB-CD2 4.36Å; L20-W31 HydrophobicContact CB-CH2 4.42Å; L20-W31 HydrophobicContact CB-CZ2 4.09Å; L20-W31 HydrophobicContact CD1-CD2 4.25Å; L20-W31 HydrophobicContact CD1-CE3 4.22Å; L20-W31 HydrophobicContact CD1-CG 4.5Å; L20-W31 HydrophobicContact CD2-CD2 3.93Å; L20-W31 HydrophobicContact CD2-CE3 3.47Å; L20-W31 VanDerWaalsContact CD2-CE3 3.47Å; L20-W31 HydrophobicContact CD2-CH2 3.24Å; L20-W31 HydrophobicContact CD2-CZ2 3.77Å; L20-W31 HydrophobicContact CD2-CZ3 3.13Å; L20-W31 HydrophobicContact CG-CD2 4.39Å; L20-W31 HydrophobicContact CG-CE3 4.32Å; L20-W31 HydrophobicContact CG-CH2 4.37Å; L20-W31 HydrophobicContact CG-CZ2 4.49Å; L20-W31 HydrophobicContact CG-CZ3 4.34Å; L23-W31 HydrophobicContact CB-CH2 3.94Å; L23-W31 HydrophobicContact CB-CZ2 3.77Å; L23-W31 HydrophobicContact CD1-CH2 4.12Å; C25-W31 HydrophobicContact CB-CZ2 3.95Å; K29-W31 PolarHBondContact O-N 3.14Å; W31-N33 VanDerWaalsContact C-N 3.28Å; W31-N33 PolarHBondContact O-N 3.42Å; W31-I41 HydrophobicContact CH2-CB 4.08Å; W31-I41 HydrophobicContact CH2-CD1 3.81Å; W31-I41 HydrophobicContact CH2-CG1 3.91Å; W31-I41 HydrophobicContact CH2-CG2 3.2Å; W31-I41 HydrophobicContact CZ2-CG2 4.08Å; W31-I41 HydrophobicContact CZ3-CB 4.18Å; W31-I41 HydrophobicContact CZ3-CD1 3.83Å; W31-I41 HydrophobicContact CZ3-CG1 3.67Å; W31-I41 HydrophobicContact CZ3-CG2 3.74Å
32K46.3Very low48.1Very low181 Ų18181.2 Ų81.279%0.78740%0.403SS*.Hα-helixtrans-67.5-25.1-169.7-120.4-174.7-179.6-172.20114.6K29K29-K32 PolarHBondContact O-N 2.77Å
33N42.6Very low48.1Very low139 Ų13974.5 Ų74.574%0.74338%0.377SS*.THydrogen-bonded Turntrans-123.212.3-169.4-69.1-12000113.7W31W31-N33 VanDerWaalsContact C-N 3.28Å; W31-N33 PolarHBondContact O-N 3.42Å
34R45.7Very low48.1Very low86 Ų8674.5 Ų74.533%0.32538%0.378SS..  trans-104.7115.4-176.5-83.7-164.3161.5-176.1-5.9111.7L36 G40R34-L36 PolarHBondContact O-N 3.3Å; R34-G40 PolarHBondContact NH1-O 2.71Å
35D45.3Very low48.2Very low144 Ų14475.1 Ų75.177%0.7738%0.382SS*.  trans-53.197.1154.1-84.2-44.7000107.6G37 R38D35-G37 PolarHBondContact O-N 3.34Å; D35-R38 PolarHBondContact O-N 3.48Å
36L48.4Very low48.2Very low37 Ų3780.4 Ų80.419%0.19440%0.404CS..THydrogen-bonded Turntrans-56.9-8.1177.1-66.1170.8000111.8P10 P13 E17 R34P10-L36 WeakPolarHBondContact CG-O 3.44Å; P13-L36 HydrophobicContact CB-CB 3.53Å; P13-L36 HydrophobicContact CB-CD1 4.05Å; P13-L36 HydrophobicContact CB-CG 4.42Å; P13-L36 HydrophobicContact CG-CB 3.96Å; P13-L36 WeakPolarHBondContact CG-O 3.47Å; E17-L36 HydrophobicContact CG-CD1 4.29Å; R34-L36 PolarHBondContact O-N 3.3Å
37G41.8Very low48.5Very low64 Ų6481.4 Ų81.466%0.6641%0.409SS*.THydrogen-bonded Turntrans-78-17.9178.400000116.5D35D35-G37 PolarHBondContact O-N 3.34Å
38R42.6Very low48.8Very low231 Ų23180.4 Ų80.487%0.87240%0.399SS*.THydrogen-bonded Turntrans-139.9-32-175.4-71.3-170.2-175.8-167.51.8117.1D35D35-R38 PolarHBondContact O-N 3.48Å
39A47.4Very low49.1Very low34 Ų3474.6 Ų74.628%0.28138%0.38SS..SBendtrans-95.9110-175.400000110.1
40G50.8Low49.4Very low0 Ų069 Ų690%036%0.36CS..  trans-57144.3178.300000112.7L8 R34L8-G40 CarbonylContact O-C 3.21Å; L8-G40 WeakPolarHBondContact O-CA 3.26Å; R34-G40 PolarHBondContact NH1-O 2.71Å
41I55Low49.8Very low3 Ų370.2 Ų70.22%0.01537%0.368CS..EExtended strand (participates in β ladder)trans-61.8117.7-178-58173.1000109.3Q7 L8 C16 L23 W31 L43Q7-I41 CarbonylContact C-O 3.44Å; Q7-I41 VanDerWaalsContact CA-O 3.27Å; Q7-I41 WeakPolarHBondContact CA-O 3.31Å; L8-I41 HydrophobicContact CB-CB 3.72Å; L8-I41 HydrophobicContact CB-CG1 4.45Å; L8-I41 HydrophobicContact CB-CG2 4.44Å; L8-I41 WeakPolarHBondContact CB-O 3.26Å; L8-I41 PolarHBondContact N-O 3.39Å; L8-I41 PolarHBondContact O-N 2.54Å; C16-I41 HydrophobicContact CB-CD1 4.25Å; L23-I41 HydrophobicContact CB-CG2 4.43Å; L23-I41 HydrophobicContact CD1-CD1 3.52Å; L23-I41 HydrophobicContact CD1-CG2 4.24Å; W31-I41 HydrophobicContact CH2-CB 4.08Å; W31-I41 HydrophobicContact CH2-CD1 3.81Å; W31-I41 HydrophobicContact CH2-CG1 3.91Å; W31-I41 HydrophobicContact CH2-CG2 3.2Å; W31-I41 HydrophobicContact CZ2-CG2 4.08Å; W31-I41 HydrophobicContact CZ3-CB 4.18Å; W31-I41 HydrophobicContact CZ3-CD1 3.83Å; W31-I41 HydrophobicContact CZ3-CG1 3.67Å; W31-I41 HydrophobicContact CZ3-CG2 3.74Å; I41-L43 PolarHBondContact O-N 3.01Å; I41-L43 VanDerWaalsContact O-N 3.15Å
42P52.7Low50.2Low21 Ų2171.3 Ų71.314%0.13638%0.376CS..EExtended strand (participates in β ladder)trans-74.3113.8-175.126.9-16.4000108.9F6 A44F6-P42 CarbonylContact O-C 3Å; F6-P42 WeakPolarHBondContact O-CA 3.16Å; P42-A44 PolarHBondContact O-N 2.77Å
43L54.1Low50.9Low3 Ų362.8 Ų62.82%0.01634%0.339CS..EExtended strand (participates in β ladder)trans-76.5124.4165-47.3162.6000106.1F6 L8 L23 P24 I41 P45 L53 L57 V69F6-L43 HydrophobicContact CB-CB 3.82Å; F6-L43 HydrophobicContact CB-CD1 3.98Å; F6-L43 HydrophobicContact CB-CG 4.21Å; F6-L43 PolarHBondContact N-O 3Å; F6-L43 PolarHBondContact O-N 2.88Å; L8-L43 HydrophobicContact CD1-CD1 4.5Å; L8-L43 HydrophobicContact CD1-CD2 3.62Å; L8-L43 HydrophobicContact CD1-CG 4.28Å; L8-L43 HydrophobicContact CD2-CD1 4.41Å; L8-L43 HydrophobicContact CG-CD1 3.96Å; L8-L43 HydrophobicContact CG-CD2 3.89Å; L8-L43 HydrophobicContact CG-CG 3.98Å; L23-L43 HydrophobicContact CD2-CD2 4.42Å; P24-L43 HydrophobicContact CG-CB 4.33Å; P24-L43 HydrophobicContact CG-CD2 3.66Å; I41-L43 PolarHBondContact O-N 3.01Å; I41-L43 VanDerWaalsContact O-N 3.15Å; L43-P45 VanDerWaalsContact C-CD 3.43Å; L43-P45 WeakPolarHBondContact O-CD 3Å; L43-L53 HydrophobicContact CB-CD1 3.84Å; L43-L53 HydrophobicContact CD1-CD1 3.76Å; L43-L53 HydrophobicContact CD2-CD1 3.82Å; L43-L53 HydrophobicContact CG-CD1 4.01Å; L43-L57 HydrophobicContact CD1-CD2 3.76Å; L43-L57 HydrophobicContact CD1-CG 4.44Å; L43-V69 HydrophobicContact CD1-CG1 4.21Å
44A54.2Low51.7Low6 Ų656.8 Ų56.85%0.0531%0.307CS..  trans-91.984.4167.700000108.2P26 P42 E46 V47 L48P26-A44 HydrophobicContact CB-CB 3.88Å; P26-A44 HydrophobicContact CG-CB 3.87Å; P42-A44 PolarHBondContact O-N 2.77Å; A44-E46 HydrophobicContact CB-CG 4.44Å; A44-E46 PolarHBondContact O-N 2.84Å; A44-E46 VanDerWaalsContact O-N 3.13Å; A44-V47 HydrophobicContact CB-CB 4.35Å; A44-V47 HydrophobicContact CB-CG2 3.97Å; A44-V47 PolarHBondContact O-N 2.73Å; A44-V47 VanDerWaalsContact O-N 3.08Å; A44-L48 PolarHBondContact O-N 3.44Å
45P50.5Low52.5Low29 Ų2957 Ų5719%0.18831%0.311CS..THydrogen-bonded Turntrans-62.1-20.9-179.332.9-42.6000111.9F6 L43 V47 L53F6-P45 HydrophobicContact CD2-CB 4.16Å; F6-P45 HydrophobicContact CD2-CG 3.58Å; F6-P45 HydrophobicContact CE2-CB 4.13Å; F6-P45 HydrophobicContact CE2-CG 3.71Å; L43-P45 VanDerWaalsContact C-CD 3.43Å; L43-P45 WeakPolarHBondContact O-CD 3Å; P45-V47 VanDerWaalsContact C-N 3.27Å; P45-V47 PolarHBondContact O-N 2.71Å; P45-L53 HydrophobicContact CB-CD2 3.95Å
46E48.7Very low53.3Low139 Ų13950.2 Ų50.265%0.6528%0.275SS*.THydrogen-bonded Turntrans-70.8-20.3177.364.3-140.4177.100113.8A44A44-E46 HydrophobicContact CB-CG 4.44Å; A44-E46 PolarHBondContact O-N 2.84Å; A44-E46 VanDerWaalsContact O-N 3.13Å
47V52.5Low54Low100 Ų10049 Ų4961%0.60627%0.269SS*.THydrogen-bonded Turntrans-97.4-26.7179.3-175.30000111.2A44 P45A44-V47 HydrophobicContact CB-CB 4.35Å; A44-V47 HydrophobicContact CB-CG2 3.97Å; A44-V47 PolarHBondContact O-N 2.73Å; A44-V47 VanDerWaalsContact O-N 3.08Å; P45-V47 VanDerWaalsContact C-N 3.27Å; P45-V47 PolarHBondContact O-N 2.71Å
48L51.9Low54.9Low35 Ų3548.6 Ų48.618%0.18325%0.247CC..SBendtrans-98.2141.4-178.6-72-159.6000112.3P24 A44 E52 L53P24-L48 HydrophobicContact CB-CD1 3.33Å; P24-L48 HydrophobicContact CB-CD2 3.96Å; P24-L48 HydrophobicContact CB-CG 3.49Å; P24-L48 VanDerWaalsContact CB-CG 3.49Å; P24-L48 HydrophobicContact CG-CD1 3.29Å; P24-L48 HydrophobicContact CG-CG 3.98Å; A44-L48 PolarHBondContact O-N 3.44Å; L48-E52 HydrophobicContact CB-CB 4.11Å; L48-E52 HydrophobicContact CD1-CB 3.84Å; L48-E52 HydrophobicContact CD2-CB 3.88Å; L48-E52 HydrophobicContact CG-CB 4.19Å; L48-L53 HydrophobicContact CB-CB 4.26Å; L48-L53 HydrophobicContact CD1-CB 4Å; L48-L53 HydrophobicContact CD1-CD1 4.2Å
49T56Low55.7Low76 Ų7640.9 Ų40.947%0.46622%0.223SC..  trans-61.1151.8157.465.30000109.8C51 E52 L53T49-C51 PolarHBondContact O-N 3.35Å; T49-C51 VanDerWaalsContact O-N 3.13Å; T49-E52 WeakPolarHBondContact CB-OE2 3.26Å; T49-E52 WeakPolarHBondContact CG2-OE2 3.24Å; T49-E52 PolarHBondContact N-OE2 2.72Å; T49-E52 PolarHBondContact O-N 2.99Å; T49-E52 VanDerWaalsContact O-N 3.1Å; T49-E52 VanDerWaalsContact OG1-CD 3.3Å; T49-E52 VanDerWaalsContact OG1-CG 3.24Å; T49-E52 WeakPolarHBondContact OG1-CG 3.01Å; T49-E52 PolarHBondContact OG1-N 3.19Å; T49-E52 PolarHBondContact OG1-OE2 3.31Å; T49-L53 PolarHBondContact O-N 3.13Å
50P54.6Low56.3Low42 Ų4239.2 Ų39.227%0.27321%0.21SC..Hα-helixtrans-53.4-33.6175.6-31.438.6000114.4L53 L54 W104 V106P50-L53 PolarHBondContact O-N 3.02Å; P50-L54 WeakPolarHBondContact O-CB 3.48Å; P50-L54 PolarHBondContact O-N 3.36Å; P50-W104 HydrophobicContact CB-CB 3.46Å; P50-W104 VanDerWaalsContact CB-CB 3.46Å; P50-W104 HydrophobicContact CB-CD2 4.32Å; P50-W104 HydrophobicContact CB-CE3 4.1Å; P50-W104 HydrophobicContact CB-CG 4.13Å; P50-W104 HydrophobicContact CG-CB 3.54Å; P50-W104 WeakPolarHBondContact CG-O 3.49Å; P50-V106 HydrophobicContact CB-CG2 3.83Å; P50-V106 HydrophobicContact CG-CG2 4.5Å
51C56.1Low56.7Low39 Ų3939.5 Ų39.526%0.26421%0.212SC..Hα-helixtrans-67.5-46.4176.5-770000112.2T49 L53 L54 Q55 C131T49-C51 PolarHBondContact O-N 3.35Å; T49-C51 VanDerWaalsContact O-N 3.13Å; C51-L53 VanDerWaalsContact C-N 3.26Å; C51-L53 PolarHBondContact O-N 3.48Å; C51-L54 PolarHBondContact O-N 2.89Å; C51-Q55 WeakPolarHBondContact O-CG 3.24Å; C51-Q55 PolarHBondContact O-N 3.23Å; C51-C131 HydrophobicContact CB-CB 3.89Å; C51-C131 VanDerWaalsContact SG-SG 3.65Å
52E56.9Low56.9Low88 Ų8844.4 Ų44.441%0.41124%0.238SC..Hα-helixtrans-61.6-39.2175.5-69.5164.6130.800110.9L48 T49 Q55 A56L48-E52 HydrophobicContact CB-CB 4.11Å; L48-E52 HydrophobicContact CD1-CB 3.84Å; L48-E52 HydrophobicContact CD2-CB 3.88Å; L48-E52 HydrophobicContact CG-CB 4.19Å; T49-E52 WeakPolarHBondContact CB-OE2 3.26Å; T49-E52 WeakPolarHBondContact CG2-OE2 3.24Å; T49-E52 PolarHBondContact N-OE2 2.72Å; T49-E52 PolarHBondContact O-N 2.99Å; T49-E52 VanDerWaalsContact O-N 3.1Å; T49-E52 VanDerWaalsContact OG1-CD 3.3Å; T49-E52 VanDerWaalsContact OG1-CG 3.24Å; T49-E52 WeakPolarHBondContact OG1-CG 3.01Å; T49-E52 PolarHBondContact OG1-N 3.19Å; T49-E52 PolarHBondContact OG1-OE2 3.31Å; E52-Q55 PolarHBondContact O-N 3.41Å; E52-A56 VanDerWaalsContact O-CB 3.27Å; E52-A56 WeakPolarHBondContact O-CB 3.1Å; E52-A56 PolarHBondContact O-N 3.07Å
53L61.5Low57.3Low3 Ų344.9 Ų44.92%0.01624%0.243CC..Hα-helixtrans-64.9-42.3177.5-174.553.7000111.1P24 L43 P45 L48 T49 P50 C51 A56 L57 V106P24-L53 HydrophobicContact CG-CD1 4.22Å; L43-L53 HydrophobicContact CB-CD1 3.84Å; L43-L53 HydrophobicContact CD1-CD1 3.76Å; L43-L53 HydrophobicContact CD2-CD1 3.82Å; L43-L53 HydrophobicContact CG-CD1 4.01Å; P45-L53 HydrophobicContact CB-CD2 3.95Å; L48-L53 HydrophobicContact CB-CB 4.26Å; L48-L53 HydrophobicContact CD1-CB 4Å; L48-L53 HydrophobicContact CD1-CD1 4.2Å; T49-L53 PolarHBondContact O-N 3.13Å; P50-L53 PolarHBondContact O-N 3.02Å; C51-L53 VanDerWaalsContact C-N 3.26Å; C51-L53 PolarHBondContact O-N 3.48Å; L53-A56 PolarHBondContact O-N 2.76Å; L53-L57 HydrophobicContact CD1-CG 4.48Å; L53-L57 HydrophobicContact CG-CD1 4.32Å; L53-L57 WeakPolarHBondContact O-CB 3.3Å; L53-L57 WeakPolarHBondContact O-CG 3.02Å; L53-L57 PolarHBondContact O-N 2.97Å; L53-V106 HydrophobicContact CD2-CB 3.9Å; L53-V106 HydrophobicContact CD2-CG1 3.53Å; L53-V106 HydrophobicContact CD2-CG2 3.97Å; L53-V106 HydrophobicContact CG-CG1 4.26Å
54L60.1Low57.6Low13 Ų1351.5 Ų51.57%0.06827%0.272CS..Hα-helixtrans-64.1-43.5175.9-164.574.4000111.9P50 C51 L57 R58 W104 L124P50-L54 WeakPolarHBondContact O-CB 3.48Å; P50-L54 PolarHBondContact O-N 3.36Å; C51-L54 PolarHBondContact O-N 2.89Å; L54-L57 PolarHBondContact O-N 3.38Å; L54-R58 WeakPolarHBondContact O-CB 3.45Å; L54-R58 WeakPolarHBondContact O-CG 3.45Å; L54-R58 PolarHBondContact O-N 3.22Å; L54-W104 HydrophobicContact CD2-CH2 4.43Å; L54-W104 HydrophobicContact CD2-CZ3 4.23Å; L54-L124 HydrophobicContact CD1-CD2 3.31Å; L54-L124 HydrophobicContact CG-CD2 3.95Å
55Q61.8Low57.6Low90 Ų9051.2 Ų51.242%0.42127%0.27SS..Hα-helixtrans-63.6-43.2176.6-73.8-178.5-400111.6C51 E52 L57 R58 L59 C131C51-Q55 WeakPolarHBondContact O-CG 3.24Å; C51-Q55 PolarHBondContact O-N 3.23Å; E52-Q55 PolarHBondContact O-N 3.41Å; Q55-L57 PolarHBondContact O-N 3.12Å; Q55-R58 WeakPolarHBondContact O-CB 3.44Å; Q55-R58 PolarHBondContact O-N 3.24Å; Q55-L59 WeakPolarHBondContact O-CG 3.2Å; Q55-L59 PolarHBondContact O-N 3.44Å; Q55-C131 HydrophobicContact CG-CB 4.25Å
56A61.9Low57.9Low2 Ų250 Ų502%0.01726%0.262CS..Hα-helixtrans-60.3-45.4175.300000111.8Y22 L23 P24 E52 L53 L59 A60Y22-A56 WeakPolarHBondContact O-CB 3.42Å; L23-A56 HydrophobicContact CD2-CB 4.15Å; P24-A56 VanDerWaalsContact CD-CB 3.41Å; P24-A56 HydrophobicContact CG-CB 4.44Å; E52-A56 VanDerWaalsContact O-CB 3.27Å; E52-A56 WeakPolarHBondContact O-CB 3.1Å; E52-A56 PolarHBondContact O-N 3.07Å; L53-A56 PolarHBondContact O-N 2.76Å; A56-L59 PolarHBondContact O-N 2.66Å; A56-A60 WeakPolarHBondContact O-CB 3.27Å; A56-A60 PolarHBondContact O-N 2.94Å
57L63.6Low58.2Low11 Ų1148.3 Ų48.36%0.05826%0.257CS..Hα-helixtrans-61.9-43.3174.9-70.5172.3000111.5L8 L43 L53 L54 Q55 L59 A60 V61 V69 L120 L124L8-L57 HydrophobicContact CD1-CD2 4.1Å; L8-L57 HydrophobicContact CD2-CD2 3.51Å; L8-L57 HydrophobicContact CG-CD2 4.06Å; L43-L57 HydrophobicContact CD1-CD2 3.76Å; L43-L57 HydrophobicContact CD1-CG 4.44Å; L53-L57 HydrophobicContact CD1-CG 4.48Å; L53-L57 HydrophobicContact CG-CD1 4.32Å; L53-L57 WeakPolarHBondContact O-CB 3.3Å; L53-L57 WeakPolarHBondContact O-CG 3.02Å; L53-L57 PolarHBondContact O-N 2.97Å; L54-L57 PolarHBondContact O-N 3.38Å; Q55-L57 PolarHBondContact O-N 3.12Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-L59 PolarHBondContact O-N 2.82Å; L57-A60 PolarHBondContact O-N 3.29Å; L57-V61 WeakPolarHBondContact O-CB 3.45Å; L57-V61 WeakPolarHBondContact O-CG2 3.47Å; L57-V61 PolarHBondContact O-N 2.9Å; L57-V69 HydrophobicContact CD2-CG2 4.29Å; L57-L120 HydrophobicContact CD2-CD2 4.06Å; L57-L124 VanDerWaalsContact C-CD1 3.48Å; L57-L124 HydrophobicContact CB-CD1 3.89Å; L57-L124 HydrophobicContact CB-CD2 4.15Å
58R59.1Low58.1Low55 Ų5544.3 Ų44.321%0.20823%0.233CC..Hα-helixtrans-56.5-47.7175.2-82.4173.5179.9173.44.3111.1L54 Q55 V61 N62 L124 S127 I129L54-R58 WeakPolarHBondContact O-CB 3.45Å; L54-R58 WeakPolarHBondContact O-CG 3.45Å; L54-R58 PolarHBondContact O-N 3.22Å; Q55-R58 WeakPolarHBondContact O-CB 3.44Å; Q55-R58 PolarHBondContact O-N 3.24Å; R58-V61 PolarHBondContact O-N 2.93Å; R58-N62 VanDerWaalsContact O-CB 3.23Å; R58-N62 WeakPolarHBondContact O-CB 3.14Å; R58-N62 PolarHBondContact O-N 3.16Å; R58-N62 PolarHBondContact O-ND2 2.87Å; R58-L124 HydrophobicContact CG-CB 3.83Å; R58-L124 HydrophobicContact CG-CD1 4.19Å; R58-L124 HydrophobicContact CG-CD2 4.01Å; R58-L124 HydrophobicContact CG-CG 4.22Å; R58-S127 PolarHBondContact NH2-O 3.3Å; R58-S127 PolarHBondContact NH2-OG 3.3Å; R58-I129 PolarHBondContact NH1-O 3.06Å; R58-I129 PolarHBondContact NH2-O 3.25Å
59L61.2Low58.2Low69 Ų6943 Ų4336%0.36123%0.227SC..Hα-helixtrans-66.1-43.8-179.1-70.8167000111.7Y22 Q55 A56 L57 V61 N62 A63Y22-L59 VanDerWaalsContact CB-CD1 3.46Å; Y22-L59 HydrophobicContact CD1-CD1 3.69Å; Y22-L59 HydrophobicContact CD2-CD1 4.3Å; Y22-L59 HydrophobicContact CE1-CD1 4.5Å; Y22-L59 HydrophobicContact CG-CD1 3.56Å; Q55-L59 WeakPolarHBondContact O-CG 3.2Å; Q55-L59 PolarHBondContact O-N 3.44Å; A56-L59 PolarHBondContact O-N 2.66Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-L59 PolarHBondContact O-N 2.82Å; L59-V61 PolarHBondContact O-N 3.5Å; L59-N62 PolarHBondContact O-N 2.9Å; L59-A63 VanDerWaalsContact O-CB 3.25Å; L59-A63 WeakPolarHBondContact O-CB 3.07Å; L59-A63 PolarHBondContact O-N 3.49Å
60A59.5Low58Low0 Ų039.8 Ų39.80%021%0.207CC..Hα-helixtrans-66.1-39.9179.200000112.4L8 A19 L23 A56 L57 K64 C65 V66L8-A60 HydrophobicContact CD1-CB 4.26Å; A19-A60 HydrophobicContact CB-CB 4.33Å; L23-A60 HydrophobicContact CD1-CB 4Å; L23-A60 HydrophobicContact CD2-CB 3.63Å; L23-A60 HydrophobicContact CG-CB 4.14Å; A56-A60 WeakPolarHBondContact O-CB 3.27Å; A56-A60 PolarHBondContact O-N 2.94Å; L57-A60 PolarHBondContact O-N 3.29Å; A60-K64 PolarHBondContact O-N 3.05Å; A60-C65 HydrophobicContact CB-CB 4.37Å; A60-C65 WeakPolarHBondContact O-CA 2.97Å; A60-C65 VanDerWaalsContact O-CB 3.23Å; A60-C65 WeakPolarHBondContact O-CB 3.12Å; A60-C65 PolarHBondContact O-N 3.35Å; A60-V66 HydrophobicContact CB-CG2 3.46Å; A60-V66 VanDerWaalsContact CB-CG2 3.46Å
61V59Low57.6Low6 Ų639 Ų394%0.03620%0.2CC..Hα-helixtrans-64-47.6172.2159.60000112L57 R58 L59 A63 K64 V66 L120 R121 L124L57-V61 WeakPolarHBondContact O-CB 3.45Å; L57-V61 WeakPolarHBondContact O-CG2 3.47Å; L57-V61 PolarHBondContact O-N 2.9Å; R58-V61 PolarHBondContact O-N 2.93Å; L59-V61 PolarHBondContact O-N 3.5Å; V61-A63 PolarHBondContact O-N 3.19Å; V61-K64 WeakPolarHBondContact O-CA 3.04Å; V61-K64 PolarHBondContact O-N 3.46Å; V61-V66 HydrophobicContact CG2-CG2 4.12Å; V61-L120 HydrophobicContact CG2-CB 4Å; V61-L120 HydrophobicContact CG2-CD2 3.32Å; V61-L120 HydrophobicContact CG2-CG 3.59Å; V61-R121 HydrophobicContact CG1-CB 3.39Å; V61-R121 HydrophobicContact CG1-CG 3.43Å; V61-R121 VanDerWaalsContact CG1-CG 3.43Å; V61-L124 HydrophobicContact CB-CD1 4.04Å; V61-L124 HydrophobicContact CG1-CD1 4.46Å; V61-L124 HydrophobicContact CG2-CD1 3.65Å
62N58.9Low56.9Low105 Ų10538 Ų3856%0.56119%0.194SC*.Hα-helixtrans-64.8-34-178.1-75.9-19.5000111.3R58 L59 K64R58-N62 VanDerWaalsContact O-CB 3.23Å; R58-N62 WeakPolarHBondContact O-CB 3.14Å; R58-N62 PolarHBondContact O-N 3.16Å; R58-N62 PolarHBondContact O-ND2 2.87Å; L59-N62 PolarHBondContact O-N 2.9Å; N62-K64 PolarHBondContact O-N 2.89Å
63A60.7Low56Low31 Ų3140.8 Ų40.826%0.25620%0.2SC..THydrogen-bonded Turntrans-68.4-7.4170.700000113.1N15 A19 L59 V61 C65N15-A63 VanDerWaalsContact CB-O 3.24Å; N15-A63 WeakPolarHBondContact CB-O 3.34Å; N15-A63 PolarHBondContact ND2-O 2.98Å; A19-A63 HydrophobicContact CB-CB 4.05Å; L59-A63 VanDerWaalsContact O-CB 3.25Å; L59-A63 WeakPolarHBondContact O-CB 3.07Å; L59-A63 PolarHBondContact O-N 3.49Å; V61-A63 PolarHBondContact O-N 3.19Å; A63-C65 HydrophobicContact CB-CB 4.28Å; A63-C65 PolarHBondContact O-N 3.44Å
64K61.2Low54.7Low143 Ų14348.9 Ų48.962%0.62224%0.243SC*.THydrogen-bonded Turntrans54.834.3-168.7-50.7176.2-179.4178.70111.5A60 V61 N62A60-K64 PolarHBondContact O-N 3.05Å; V61-K64 WeakPolarHBondContact O-CA 3.04Å; V61-K64 PolarHBondContact O-N 3.46Å; N62-K64 PolarHBondContact O-N 2.89Å
65C54.8Low53.5Low0 Ų056.3 Ų56.30%028%0.282CS..  trans-78.4-40.9176160.40000110.3P10 S11 N12 C16 A19 A60 A63P10-C65 CarbonylContact C-O 3.13Å; P10-C65 VanDerWaalsContact CA-O 3.22Å; P10-C65 WeakPolarHBondContact CA-O 3.18Å; S11-C65 PolarHBondContact N-O 3.4Å; N12-C65 PolarHBondContact N-O 3.35Å; C16-C65 WeakPolarHBondContact CA-SG 3.4Å; C16-C65 HydrophobicContact CB-CB 3.88Å; C16-C65 WeakPolarHBondContact CB-SG 3.26Å; C16-C65 WeakPolarHBondContact SG-CA 3.49Å; C16-C65 WeakPolarHBondContact SG-CB 3.25Å; C16-C65 PolarHBondContact SG-O 3.12Å; C16-C65 CovalentContact SG-SG 2.02Å; C16-C65 PolarHBondContact SG-SG 2.95Å; A19-C65 HydrophobicContact CB-CB 4.34Å; A60-C65 HydrophobicContact CB-CB 4.37Å; A60-C65 WeakPolarHBondContact O-CA 2.97Å; A60-C65 VanDerWaalsContact O-CB 3.23Å; A60-C65 WeakPolarHBondContact O-CB 3.12Å; A60-C65 PolarHBondContact O-N 3.35Å; A63-C65 HydrophobicContact CB-CB 4.28Å; A63-C65 PolarHBondContact O-N 3.44Å
66V55.8Low52.4Low3 Ų355.4 Ų55.42%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-130.5132.1-171.6-77.90000111.9L8 L9 A60 V61 L120L8-V66 HydrophobicContact CB-CG1 3.67Å; L8-V66 HydrophobicContact CD1-CG1 4.09Å; L8-V66 HydrophobicContact CD1-CG2 4.42Å; L8-V66 HydrophobicContact CD2-CB 3.96Å; L8-V66 HydrophobicContact CD2-CG1 3.76Å; L8-V66 HydrophobicContact CD2-CG2 3.92Å; L8-V66 HydrophobicContact CG-CG1 4.02Å; L9-V66 WeakPolarHBondContact O-CG1 3.19Å; A60-V66 HydrophobicContact CB-CG2 3.46Å; A60-V66 VanDerWaalsContact CB-CG2 3.46Å; V61-V66 HydrophobicContact CG2-CG2 4.12Å; V66-L120 HydrophobicContact CG2-CD2 4.26Å
67D54.3Low51.3Low103 Ų10361.2 Ų61.255%0.55131%0.314SS*.EExtended strand (participates in β ladder)trans-105.7-12.6170-63.2-43.2000112.9S11S11-D67 WeakPolarHBondContact CB-OD2 3.43Å; S11-D67 VanDerWaalsContact OG-CB 3.25Å; S11-D67 WeakPolarHBondContact OG-CB 3.39Å; S11-D67 PolarHBondContact OG-N 3.46Å; S11-D67 PolarHBondContact OG-OD2 2.9Å
68S51.1Low50.1Low16 Ų1668.3 Ų68.311%0.11234%0.34CS..EExtended strand (participates in β ladder)trans-148.8153.6-178.360.90000113L9L9-S68 PolarHBondContact N-O 3.31Å; L9-S68 VanDerWaalsContact N-O 3.11Å
69V53.6Low49.3Very low7 Ų768.3 Ų68.34%0.04235%0.346CS..EExtended strand (participates in β ladder)trans-121.3129.8174.5-165.90000108.1F6 L8 L43 L57 F80 M110 L120F6-V69 HydrophobicContact CD1-CG1 4.39Å; L8-V69 HydrophobicContact CD2-CB 4.3Å; L8-V69 HydrophobicContact CD2-CG1 4.19Å; L8-V69 HydrophobicContact CD2-CG2 3.59Å; L43-V69 HydrophobicContact CD1-CG1 4.21Å; L57-V69 HydrophobicContact CD2-CG2 4.29Å; V69-F80 PolarHBondContact O-N 3.28Å; V69-M110 HydrophobicContact CB-CE 3.71Å; V69-M110 HydrophobicContact CG1-CE 3.78Å; V69-L120 HydrophobicContact CG2-CD1 3.87Å; V69-L120 HydrophobicContact CG2-CD2 3.55Å; V69-L120 HydrophobicContact CG2-CG 4.23Å
70T51.5Low48.4Very low9 Ų966.7 Ų66.76%0.05534%0.336CS..EExtended strand (participates in β ladder)trans-103.3138.7174.1-56.10000108.3F6 Q7 L9F6-T70 CarbonylContact C-O 3.12Å; F6-T70 WeakPolarHBondContact CA-O 3.4Å; Q7-T70 PolarHBondContact N-O 2.77Å; Q7-T70 PolarHBondContact O-N 2.77Å; L9-T70 WeakPolarHBondContact CD1-OG1 3.48Å
71H46.3Very low47.3Very low26 Ų2672 Ų7212%0.1236%0.361CS..EExtended strand (participates in β ladder)trans-118107.7168.4173.5-101.8000108.4F6 R73 R78 F80F6-H71 HydrophobicContact CD1-CB 3.7Å; F6-H71 AromaticContact CD1-CD2 3.57Å; F6-H71 AromaticContact CD1-CG 3.97Å; F6-H71 AromaticContact CD2-CD2 3.69Å; F6-H71 HydrophobicContact CE1-CB 3.66Å; F6-H71 AromaticContact CE1-CD2 3.26Å; F6-H71 WeakPolarHBondContact CE1-CD2 3.24Å; F6-H71 AromaticContact CE1-CG 3.63Å; F6-H71 AromaticContact CE2-CD2 3.4Å; F6-H71 VanDerWaalsContact CE2-CD2 3.4Å; F6-H71 WeakPolarHBondContact CE2-CD2 3.18Å; F6-H71 AromaticContact CE2-NE2 3.85Å; F6-H71 AromaticContact CG-CD2 3.78Å; F6-H71 HydrophobicContact CZ-CB 4.46Å; F6-H71 AromaticContact CZ-CD2 3.18Å; F6-H71 WeakPolarHBondContact CZ-CD2 3.33Å; F6-H71 AromaticContact CZ-CG 3.95Å; F6-H71 AromaticContact CZ-NE2 3.75Å; H71-R73 PolarHBondContact O-N 2.84Å; H71-R78 PolarHBondContact N-O 3.33Å; H71-F80 HydrophobicContact CB-CE2 3.9Å
72S42.2Very low46.2Very low19 Ų1973.5 Ų73.513%0.13337%0.369CS..EExtended strand (participates in β ladder)trans-82.498.5177.9-630000108.8G4 D77G4-S72 WeakPolarHBondContact CA-O 3.48Å; S72-D77 WeakPolarHBondContact CB-OD1 3.21Å; S72-D77 PolarHBondContact OG-OD1 2.98Å
73R38.8Very low45Very low145 Ų14574.7 Ų74.755%0.54737%0.374SS..EExtended strand (participates in β ladder)trans-86.9131.6160.5-137.1-179.7-168.8-168.22.8106.6H71 N75 T76H71-R73 PolarHBondContact O-N 2.84Å; R73-N75 PolarHBondContact O-N 3.26Å; R73-T76 CarbonylContact O-C 3.22Å; R73-T76 PolarHBondContact O-N 3.39Å
74L32.6Very low44Very low174 Ų17475.8 Ų75.891%0.91139%0.389SS*.THydrogen-bonded Turntrans-35.6112.5177.2-77156.1000110.2
75N35.8Very low43.3Very low168 Ų16872.5 Ų72.590%0.89838%0.383SS*.THydrogen-bonded Turntrans82.42.6-179.5-60-16.5000119.9R73R73-N75 PolarHBondContact O-N 3.26Å
76T37.4Very low42.9Very low72 Ų7278 Ų7844%0.44241%0.409SS..EExtended strand (participates in β ladder)trans-139.896.4163.461.80000110R73 R78R73-T76 CarbonylContact O-C 3.22Å; R73-T76 PolarHBondContact O-N 3.39Å; T76-R78 VanDerWaalsContact C-N 3.32Å; T76-R78 PolarHBondContact O-N 2.76Å
77D40.4Very low42.6Very low124 Ų12481 Ų8166%0.66343%0.434SS*.EExtended strand (participates in β ladder)trans-66.198163.2-75.6-38.5000107.7S72S72-D77 WeakPolarHBondContact CB-OD1 3.21Å; S72-D77 PolarHBondContact OG-OD1 2.98Å
78R38.4Very low42.1Very low159 Ų15979.8 Ų79.860%0.643%0.426SS*.EExtended strand (participates in β ladder)trans-9499.4170-69.4-168.8-178.6-162.8-0.4107.2H71 T76 F80H71-R78 PolarHBondContact N-O 3.33Å; T76-R78 VanDerWaalsContact C-N 3.32Å; T76-R78 PolarHBondContact O-N 2.76Å; R78-F80 HydrophobicContact CB-CD2 4.3Å; R78-F80 HydrophobicContact CB-CE1 4.42Å; R78-F80 HydrophobicContact CB-CE2 3.59Å; R78-F80 HydrophobicContact CB-CZ 3.68Å; R78-F80 WeakPolarHBondContact O-CD2 3.14Å; R78-F80 WeakPolarHBondContact O-CE2 3.24Å; R78-F80 PolarHBondContact O-N 3.3Å
79T41.6Very low41.8Very low56 Ų5679.2 Ų79.234%0.34442%0.421SS..EExtended strand (participates in β ladder)trans-73.6113.1163.6-50.40000107.4L9 H81L9-T79 HydrophobicContact CD1-CG2 3.92Å; T79-H81 WeakPolarHBondContact CG2-NE2 3.44Å; T79-H81 PolarHBondContact O-N 3.01Å; T79-H81 VanDerWaalsContact O-N 3.12Å
80F41.7Very low41.6Very low35 Ų3580.6 Ų80.615%0.15443%0.431CS..EExtended strand (participates in β ladder)trans-84.691.7179.9-64.8-93.4000108.4V69 H71 R78 L82 M110V69-F80 PolarHBondContact O-N 3.28Å; H71-F80 HydrophobicContact CB-CE2 3.9Å; R78-F80 HydrophobicContact CB-CD2 4.3Å; R78-F80 HydrophobicContact CB-CE1 4.42Å; R78-F80 HydrophobicContact CB-CE2 3.59Å; R78-F80 HydrophobicContact CB-CZ 3.68Å; R78-F80 WeakPolarHBondContact O-CD2 3.14Å; R78-F80 WeakPolarHBondContact O-CE2 3.24Å; R78-F80 PolarHBondContact O-N 3.3Å; F80-L82 PolarHBondContact O-N 3.1Å; F80-M110 HydrophobicContact CD2-CE 4.22Å
81H36.6Very low41.5Very low112 Ų11286.8 Ų86.852%0.51946%0.457SS..  trans-83.7101.9162-59.2-81.4000106.9T79 L83T79-H81 WeakPolarHBondContact CG2-NE2 3.44Å; T79-H81 PolarHBondContact O-N 3.01Å; T79-H81 VanDerWaalsContact O-N 3.12Å; H81-L83 HydrophobicContact CB-CG 4.43Å; H81-L83 PolarHBondContact O-N 3.13Å
82L37.1Very low41.4Very low37 Ų3787.5 Ų87.519%0.19446%0.462CS..  trans-78.1113.1176.8-61.6171.8000106.5F80 G117 V118F80-L82 PolarHBondContact O-N 3.1Å; L82-G117 CarbonylContact C-O 3.49Å; L82-G117 VanDerWaalsContact CA-CA 3.45Å; L82-G117 CarbonylContact O-C 3.33Å; L82-V118 WeakPolarHBondContact CB-O 3.18Å; L82-V118 VanDerWaalsContact CD1-O 3.27Å; L82-V118 WeakPolarHBondContact CD1-O 3.44Å; L82-V118 PolarHBondContact O-N 3.03Å
83L33.3Very low41.6Very low130 Ų13086.8 Ų86.868%0.68146%0.456SS*.  trans-129.1119.5179.3-59.2172.5000117.4H81 Y116 G117H81-L83 HydrophobicContact CB-CG 4.43Å; H81-L83 PolarHBondContact O-N 3.13Å; L83-Y116 CarbonylContact O-C 3.45Å; L83-G117 VanDerWaalsContact C-C 3.4Å; L83-G117 VanDerWaalsContact C-CA 3.41Å; L83-G117 CarbonylContact C-O 3.02Å; L83-G117 WeakPolarHBondContact CA-O 3.48Å; L83-G117 PolarHBondContact N-O 2.77Å; L83-G117 PolarHBondContact O-N 3.24Å
84G39.9Very low42.2Very low54 Ų5482.9 Ų82.956%0.55745%0.447SS*.SBendtrans147.7-167.1-166.900000115Y116 G117G84-Y116 CarbonylContact C-O 3.57Å; G84-Y116 WeakPolarHBondContact CA-O 3.01Å; G84-Y116 PolarHBondContact N-O 2.93Å; G84-G117 CarbonylContact C-O 3.54Å; G84-G117 VanDerWaalsContact CA-O 3.26Å; G84-G117 WeakPolarHBondContact CA-O 3.39Å; G84-G117 PolarHBondContact N-O 3.23Å
85S47Very low43Very low73 Ų7381.2 Ų81.251%0.5143%0.432SS..  trans-91.1132.6-166.471.40000114.3A87 Q88 L89 Y116S85-A87 PolarHBondContact O-N 2.89Å; S85-A87 VanDerWaalsContact O-N 3.14Å; S85-Q88 PolarHBondContact O-N 2.95Å; S85-Q88 VanDerWaalsContact O-N 3.11Å; S85-L89 PolarHBondContact O-N 3.46Å; S85-Y116 PolarHBondContact N-O 3.02Å
86E45.7Very low43.4Very low115 Ų11574.5 Ų74.554%0.53740%0.395SS..Hα-helixtrans-50-41.5-178.2-177.2165.1-148.700113.4S90 S122E86-S90 WeakPolarHBondContact O-CB 3.19Å; E86-S90 PolarHBondContact O-N 3.13Å; E86-S122 WeakPolarHBondContact OE1-CB 3.39Å; E86-S122 PolarHBondContact OE1-OG 3.39Å
87A48.9Very low43.9Very low67 Ų6771.8 Ų71.855%0.55438%0.377SS*.Hα-helixtrans-69.7-37.2-178.100000114S85 K91S85-A87 PolarHBondContact O-N 2.89Å; S85-A87 VanDerWaalsContact O-N 3.14Å; A87-K91 PolarHBondContact O-N 3.45Å
88Q44.3Very low44.4Very low78 Ų7871.9 Ų71.936%0.36438%0.378SS..Hα-helixtrans-74.7-38.8180-174.157.542.200110.7S85 K91 D92S85-Q88 PolarHBondContact O-N 2.95Å; S85-Q88 VanDerWaalsContact O-N 3.11Å; Q88-K91 PolarHBondContact O-N 2.95Å; Q88-D92 PolarHBondContact NE2-OD1 3.38Å; Q88-D92 VanDerWaalsContact NE2-OD1 3.1Å; Q88-D92 VanDerWaalsContact O-CG 3.32Å; Q88-D92 PolarHBondContact O-N 2.85Å
89L45.6Very low44.8Very low4 Ų470.2 Ų70.22%0.02138%0.38CS..Hα-helixtrans-64.4-43.1173.4-173.3102.1000111.7S85 K91 D92 L93 V118 L123S85-L89 PolarHBondContact O-N 3.46Å; L89-K91 PolarHBondContact O-N 3.43Å; L89-D92 PolarHBondContact O-N 3.23Å; L89-D92 VanDerWaalsContact O-N 3.12Å; L89-L93 WeakPolarHBondContact O-CA 3.42Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 3.37Å; L89-V118 HydrophobicContact CB-CB 3.8Å; L89-V118 HydrophobicContact CB-CG1 4.24Å; L89-V118 HydrophobicContact CB-CG2 3.31Å; L89-V118 HydrophobicContact CD1-CB 4Å; L89-V118 HydrophobicContact CD1-CG2 4.16Å; L89-V118 HydrophobicContact CD2-CB 3.37Å; L89-V118 HydrophobicContact CD2-CG1 3.4Å; L89-V118 HydrophobicContact CD2-CG2 3.96Å; L89-V118 HydrophobicContact CG-CB 3.85Å; L89-V118 HydrophobicContact CG-CG1 4.29Å; L89-V118 HydrophobicContact CG-CG2 3.95Å; L89-L123 HydrophobicContact CD2-CB 4.19Å; L89-L123 HydrophobicContact CD2-CD1 3.65Å; L89-L123 HydrophobicContact CG-CD1 4.4Å
90S47.7Very low44.8Very low35 Ų3570.6 Ų70.625%0.24538%0.378CS..Hα-helixtrans-54.4-43.4177.5-171.80000111E86 L93 D94 A126E86-S90 WeakPolarHBondContact O-CB 3.19Å; E86-S90 PolarHBondContact O-N 3.13Å; S90-L93 PolarHBondContact O-N 3.49Å; S90-D94 WeakPolarHBondContact O-CB 3.5Å; S90-D94 PolarHBondContact O-N 2.91Å; S90-A126 WeakPolarHBondContact OG-CB 3.24Å
91K49.9Very low45Very low139 Ų13971.1 Ų71.160%0.60439%0.389SS*.Hα-helixtrans-65.7-44.9174.5-69.8178.1-178.7178.80113.7A87 Q88 L89 L93 D94 K95A87-K91 PolarHBondContact O-N 3.45Å; Q88-K91 PolarHBondContact O-N 2.95Å; L89-K91 PolarHBondContact O-N 3.43Å; K91-L93 VanDerWaalsContact C-N 3.29Å; K91-D94 PolarHBondContact O-N 3.35Å; K91-K95 VanDerWaalsContact O-CB 3.24Å; K91-K95 WeakPolarHBondContact O-CB 3.42Å; K91-K95 PolarHBondContact O-N 3.19Å
92D43.9Very low45.4Very low42 Ų4273.9 Ų73.923%0.22541%0.407CS..Hα-helixtrans-68-35.1-179.7-69.6-21000111.2Q88 L89 F96Q88-D92 PolarHBondContact NE2-OD1 3.38Å; Q88-D92 VanDerWaalsContact NE2-OD1 3.1Å; Q88-D92 VanDerWaalsContact O-CG 3.32Å; Q88-D92 PolarHBondContact O-N 2.85Å; L89-D92 PolarHBondContact O-N 3.23Å; L89-D92 VanDerWaalsContact O-N 3.12Å; D92-F96 WeakPolarHBondContact O-CB 2.92Å; D92-F96 PolarHBondContact O-N 2.77Å
93L48.3Very low45.7Very low3 Ų375 Ų752%0.01642%0.418CS..Hα-helixtrans-68.7-48.7174.2-175.965.6000110.9L89 S90 K91 K95 F96 L97 L109 L123 A126L89-L93 WeakPolarHBondContact O-CA 3.42Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 3.37Å; S90-L93 PolarHBondContact O-N 3.49Å; K91-L93 VanDerWaalsContact C-N 3.29Å; L93-K95 VanDerWaalsContact C-N 3.28Å; L93-K95 PolarHBondContact O-N 2.77Å; L93-F96 CarbonylContact O-C 3.4Å; L93-F96 WeakPolarHBondContact O-CB 3.39Å; L93-F96 PolarHBondContact O-N 3.11Å; L93-F96 VanDerWaalsContact O-N 3.16Å; L93-L97 HydrophobicContact CD1-CD1 4.04Å; L93-L97 HydrophobicContact CD1-CG 4.17Å; L93-L97 HydrophobicContact CD2-CD1 4.08Å; L93-L97 HydrophobicContact CG-CD1 3.61Å; L93-L97 HydrophobicContact CG-CG 4.19Å; L93-L97 VanDerWaalsContact O-CB 3.26Å; L93-L97 WeakPolarHBondContact O-CB 3.46Å; L93-L97 VanDerWaalsContact O-CG 3.22Å; L93-L97 WeakPolarHBondContact O-CG 3.43Å; L93-L97 PolarHBondContact O-N 3.16Å; L93-L109 HydrophobicContact CD1-CD2 3.29Å; L93-L123 HydrophobicContact CB-CD1 4.42Å; L93-L123 HydrophobicContact CD1-CD1 3.42Å; L93-L123 VanDerWaalsContact CD1-CD1 3.42Å; L93-L123 HydrophobicContact CD1-CG 4Å; L93-L123 HydrophobicContact CD2-CB 4.42Å; L93-L123 HydrophobicContact CD2-CD1 3.68Å; L93-L123 HydrophobicContact CD2-CG 3.73Å; L93-L123 WeakPolarHBondContact CD2-O 3.19Å; L93-L123 HydrophobicContact CG-CD1 3.99Å; L93-L123 HydrophobicContact CG-CG 4.45Å; L93-A126 HydrophobicContact CD2-CB 3.87Å
94D50.4Low46.3Very low64 Ų6472.1 Ų72.134%0.34240%0.398SS..Hα-helixtrans-59.8-42.3174.8-83-16.2000110.6S90 K91 F96 L97 N98S90-D94 WeakPolarHBondContact O-CB 3.5Å; S90-D94 PolarHBondContact O-N 2.91Å; K91-D94 PolarHBondContact O-N 3.35Å; D94-F96 VanDerWaalsContact C-N 3.35Å; D94-L97 PolarHBondContact O-N 2.55Å; D94-N98 WeakPolarHBondContact O-CB 3.07Å; D94-N98 PolarHBondContact O-N 3.08Å; D94-N98 PolarHBondContact O-ND2 3.48Å
95K49.5Very low46.6Very low138 Ų13872 Ų7260%0.639%0.385SS*.Hα-helixtrans-62.7-44.1175.3-172.6176.8-178.2179.90111K91 L93 N98 L99K91-K95 VanDerWaalsContact O-CB 3.24Å; K91-K95 WeakPolarHBondContact O-CB 3.42Å; K91-K95 PolarHBondContact O-N 3.19Å; L93-K95 VanDerWaalsContact C-N 3.28Å; L93-K95 PolarHBondContact O-N 2.77Å; K95-N98 PolarHBondContact O-N 3.45Å; K95-L99 HydrophobicContact CG-CD1 3.99Å; K95-L99 VanDerWaalsContact O-CB 3.31Å; K95-L99 WeakPolarHBondContact O-CB 3.27Å; K95-L99 WeakPolarHBondContact O-CD1 3.25Å; K95-L99 WeakPolarHBondContact O-CG 2.99Å; K95-L99 PolarHBondContact O-N 2.93Å
96F44.9Very low46.6Very low28 Ų2869.2 Ų69.212%0.12337%0.365CS..Hα-helixtrans-61.7-51.5176.4-178.7-81.8000111.2D92 L93 D94 N98 L99 H100 A108 L109 V112D92-F96 WeakPolarHBondContact O-CB 2.92Å; D92-F96 PolarHBondContact O-N 2.77Å; L93-F96 CarbonylContact O-C 3.4Å; L93-F96 WeakPolarHBondContact O-CB 3.39Å; L93-F96 PolarHBondContact O-N 3.11Å; L93-F96 VanDerWaalsContact O-N 3.16Å; D94-F96 VanDerWaalsContact C-N 3.35Å; F96-N98 VanDerWaalsContact C-N 3.3Å; F96-N98 PolarHBondContact O-N 3.27Å; F96-L99 PolarHBondContact O-N 3.34Å; F96-L99 VanDerWaalsContact O-N 3.17Å; F96-H100 AromaticContact CD1-CD2 3.99Å; F96-H100 AromaticContact CD2-CD2 3.53Å; F96-H100 AromaticContact CD2-NE2 3.93Å; F96-H100 HydrophobicContact CE1-CB 3.9Å; F96-H100 AromaticContact CE1-CD2 3.56Å; F96-H100 AromaticContact CE1-CG 3.91Å; F96-H100 AromaticContact CE2-CD2 3.1Å; F96-H100 WeakPolarHBondContact CE2-CD2 3.21Å; F96-H100 AromaticContact CE2-NE2 3.33Å; F96-H100 VanDerWaalsContact CE2-NE2 3.33Å; F96-H100 WeakPolarHBondContact CE2-NE2 3.23Å; F96-H100 AromaticContact CG-CD2 3.9Å; F96-H100 HydrophobicContact CZ-CB 4.05Å; F96-H100 AromaticContact CZ-CD2 3.04Å; F96-H100 WeakPolarHBondContact CZ-CD2 3.33Å; F96-H100 AromaticContact CZ-CG 3.56Å; F96-H100 AromaticContact CZ-NE2 3.63Å; F96-H100 WeakPolarHBondContact O-CB 3.27Å; F96-H100 PolarHBondContact O-CD2 2.58Å; F96-H100 PolarHBondContact O-N 3.44Å; F96-A108 HydrophobicContact CE1-CB 4.34Å; F96-A108 HydrophobicContact CE2-CB 4.18Å; F96-A108 WeakPolarHBondContact CE2-O 3.35Å; F96-A108 HydrophobicContact CZ-CB 3.42Å; F96-A108 VanDerWaalsContact CZ-CB 3.42Å; F96-A108 WeakPolarHBondContact CZ-O 3.33Å; F96-L109 HydrophobicContact CD1-CD2 3.63Å; F96-L109 HydrophobicContact CD1-CG 3.94Å; F96-L109 VanDerWaalsContact CE1-CA 3.47Å; F96-L109 HydrophobicContact CE1-CB 4.15Å; F96-L109 HydrophobicContact CE1-CD2 3.94Å; F96-L109 HydrophobicContact CE1-CG 3.69Å; F96-L109 VanDerWaalsContact CE1-N 3.32Å; F96-L109 VanDerWaalsContact CZ-N 3.28Å; F96-V112 HydrophobicContact CB-CG2 4.27Å; F96-V112 HydrophobicContact CD2-CG2 3.79Å; F96-V112 HydrophobicContact CE2-CG2 4.45Å; F96-V112 HydrophobicContact CG-CG2 3.9Å
97L47.7Very low46.5Very low14 Ų1464.2 Ų64.27%0.07334%0.343CS..Hα-helixtrans-61.2-37.8178.6-73.2167.8000111.3L93 D94 H100 A101 W104 L109 I129L93-L97 HydrophobicContact CD1-CD1 4.04Å; L93-L97 HydrophobicContact CD1-CG 4.17Å; L93-L97 HydrophobicContact CD2-CD1 4.08Å; L93-L97 HydrophobicContact CG-CD1 3.61Å; L93-L97 HydrophobicContact CG-CG 4.19Å; L93-L97 VanDerWaalsContact O-CB 3.26Å; L93-L97 WeakPolarHBondContact O-CB 3.46Å; L93-L97 VanDerWaalsContact O-CG 3.22Å; L93-L97 WeakPolarHBondContact O-CG 3.43Å; L93-L97 PolarHBondContact O-N 3.16Å; D94-L97 PolarHBondContact O-N 2.55Å; L97-H100 CarbonylContact O-C 3.56Å; L97-H100 PolarHBondContact O-N 2.87Å; L97-A101 WeakPolarHBondContact O-CA 3.41Å; L97-A101 VanDerWaalsContact O-CB 3.24Å; L97-A101 WeakPolarHBondContact O-CB 3.49Å; L97-A101 PolarHBondContact O-N 3.28Å; L97-W104 HydrophobicContact CD2-CH2 4.31Å; L97-W104 HydrophobicContact CD2-CZ3 4.29Å; L97-L109 HydrophobicContact CD2-CD1 4.06Å; L97-L109 HydrophobicContact CD2-CD2 3.69Å; L97-L109 HydrophobicContact CD2-CG 4.18Å; L97-L109 HydrophobicContact CG-CD2 4.1Å; L97-I129 HydrophobicContact CB-CD1 4.13Å; L97-I129 HydrophobicContact CD1-CD1 3.6Å; L97-I129 HydrophobicContact CD1-CG1 4.46Å; L97-I129 HydrophobicContact CD2-CD1 3.64Å; L97-I129 HydrophobicContact CG-CD1 3.98Å
98N50Low46.2Very low126 Ų12661.4 Ų61.467%0.67432%0.32SS*.Hα-helixtrans-69.5-40.9174.2-77.1-43.8000112.3D94 K95 F96 H100D94-N98 WeakPolarHBondContact O-CB 3.07Å; D94-N98 PolarHBondContact O-N 3.08Å; D94-N98 PolarHBondContact O-ND2 3.48Å; K95-N98 PolarHBondContact O-N 3.45Å; F96-N98 VanDerWaalsContact C-N 3.3Å; F96-N98 PolarHBondContact O-N 3.27Å; N98-H100 VanDerWaalsContact C-N 3.27Å; N98-H100 PolarHBondContact O-N 2.86Å
99L46.5Very low46.3Very low124 Ų12458.5 Ų58.565%0.64931%0.307SS*.Hα-helixtrans-67.3-30.7176.5-74.9168.8000112.3K95 F96K95-L99 HydrophobicContact CG-CD1 3.99Å; K95-L99 VanDerWaalsContact O-CB 3.31Å; K95-L99 WeakPolarHBondContact O-CB 3.27Å; K95-L99 WeakPolarHBondContact O-CD1 3.25Å; K95-L99 WeakPolarHBondContact O-CG 2.99Å; K95-L99 PolarHBondContact O-N 2.93Å; F96-L99 PolarHBondContact O-N 3.34Å; F96-L99 VanDerWaalsContact O-N 3.17Å
100H42.3Very low46.2Very low65 Ų6559.7 Ų59.730%0.30131%0.312SS..THydrogen-bonded Turntrans-113.818.4-175.7-63.6-70.5000112.8F96 L97 N98 N102 S103F96-H100 AromaticContact CD1-CD2 3.99Å; F96-H100 AromaticContact CD2-CD2 3.53Å; F96-H100 AromaticContact CD2-NE2 3.93Å; F96-H100 HydrophobicContact CE1-CB 3.9Å; F96-H100 AromaticContact CE1-CD2 3.56Å; F96-H100 AromaticContact CE1-CG 3.91Å; F96-H100 AromaticContact CE2-CD2 3.1Å; F96-H100 WeakPolarHBondContact CE2-CD2 3.21Å; F96-H100 AromaticContact CE2-NE2 3.33Å; F96-H100 VanDerWaalsContact CE2-NE2 3.33Å; F96-H100 WeakPolarHBondContact CE2-NE2 3.23Å; F96-H100 AromaticContact CG-CD2 3.9Å; F96-H100 HydrophobicContact CZ-CB 4.05Å; F96-H100 AromaticContact CZ-CD2 3.04Å; F96-H100 WeakPolarHBondContact CZ-CD2 3.33Å; F96-H100 AromaticContact CZ-CG 3.56Å; F96-H100 AromaticContact CZ-NE2 3.63Å; F96-H100 WeakPolarHBondContact O-CB 3.27Å; F96-H100 PolarHBondContact O-CD2 2.58Å; F96-H100 PolarHBondContact O-N 3.44Å; L97-H100 CarbonylContact O-C 3.56Å; L97-H100 PolarHBondContact O-N 2.87Å; N98-H100 VanDerWaalsContact C-N 3.27Å; N98-H100 PolarHBondContact O-N 2.86Å; H100-N102 PolarHBondContact O-N 2.96Å; H100-S103 PolarHBondContact ND1-OG 3.5Å; H100-S103 CarbonylContact O-C 3.57Å; H100-S103 WeakPolarHBondContact O-CA 3.23Å; H100-S103 PolarHBondContact O-N 2.86Å; H100-S103 VanDerWaalsContact O-O 3.06Å
101A46.2Very low45.8Very low45 Ų4565.4 Ų65.437%0.37233%0.329SS..THydrogen-bonded Turntrans-56.3-30.8-171.600000113L97 W104L97-A101 WeakPolarHBondContact O-CA 3.41Å; L97-A101 VanDerWaalsContact O-CB 3.24Å; L97-A101 WeakPolarHBondContact O-CB 3.49Å; L97-A101 PolarHBondContact O-N 3.28Å; A101-W104 VanDerWaalsContact O-CD1 3.28Å; A101-W104 PolarHBondContact O-NE1 3.48Å
102N44.6Very low45.4Very low170 Ų17059.5 Ų59.591%0.90930%0.304SS*.THydrogen-bonded Turntrans-98.3-10.9179-63.6-28.3000113.5H100H100-N102 PolarHBondContact O-N 2.96Å
103S43.8Very low45.2Very low61 Ų6161.4 Ų61.443%0.42732%0.319SS..  trans-121.775.6179.567.50000107.9H100 D105H100-S103 PolarHBondContact ND1-OG 3.5Å; H100-S103 CarbonylContact O-C 3.57Å; H100-S103 WeakPolarHBondContact O-CA 3.23Å; H100-S103 PolarHBondContact O-N 2.86Å; H100-S103 VanDerWaalsContact O-O 3.06Å; S103-D105 PolarHBondContact O-N 3.32Å
104W45.7Very low44.7Very low70 Ų7064.2 Ų64.227%0.26534%0.339SS..  trans-6960.5173.7-74.984.7000111.2P50 L54 L97 A101 V106 L109 I129P50-W104 HydrophobicContact CB-CB 3.46Å; P50-W104 VanDerWaalsContact CB-CB 3.46Å; P50-W104 HydrophobicContact CB-CD2 4.32Å; P50-W104 HydrophobicContact CB-CE3 4.1Å; P50-W104 HydrophobicContact CB-CG 4.13Å; P50-W104 HydrophobicContact CG-CB 3.54Å; P50-W104 WeakPolarHBondContact CG-O 3.49Å; L54-W104 HydrophobicContact CD2-CH2 4.43Å; L54-W104 HydrophobicContact CD2-CZ3 4.23Å; L97-W104 HydrophobicContact CD2-CH2 4.31Å; L97-W104 HydrophobicContact CD2-CZ3 4.29Å; A101-W104 VanDerWaalsContact O-CD1 3.28Å; A101-W104 PolarHBondContact O-NE1 3.48Å; W104-V106 PolarHBondContact O-N 3.37Å; W104-V106 VanDerWaalsContact O-N 3.16Å; W104-L109 HydrophobicContact CE3-CD1 4.5Å; W104-L109 HydrophobicContact CZ3-CD1 4.44Å; W104-I129 HydrophobicContact CH2-CB 4.12Å; W104-I129 HydrophobicContact CH2-CD1 3.35Å; W104-I129 HydrophobicContact CH2-CG1 4.3Å; W104-I129 HydrophobicContact CH2-CG2 3.61Å; W104-I129 HydrophobicContact CZ2-CD1 3.73Å; W104-I129 HydrophobicContact CZ2-CG2 3.71Å; W104-I129 HydrophobicContact CZ3-CD1 4.38Å
105D46.1Very low44.2Very low50 Ų5069.3 Ų69.327%0.26736%0.358SS..  trans-77.498.9163.7-171.6-2.3000105.4S103 A107 A108 L109 R111S103-D105 PolarHBondContact O-N 3.32Å; D105-A107 PolarHBondContact O-N 3.49Å; D105-A107 VanDerWaalsContact O-N 3.13Å; D105-A107 WeakPolarHBondContact OD1-CA 3.25Å; D105-A107 WeakPolarHBondContact OD1-CB 3.39Å; D105-A107 PolarHBondContact OD1-N 3.38Å; D105-A108 HydrophobicContact CB-CB 3.79Å; D105-A108 VanDerWaalsContact O-CA 3.3Å; D105-A108 WeakPolarHBondContact O-CA 3.5Å; D105-A108 VanDerWaalsContact O-CB 3.24Å; D105-A108 WeakPolarHBondContact O-CB 3.42Å; D105-A108 PolarHBondContact O-N 3.15Å; D105-L109 PolarHBondContact O-N 2.85Å; D105-R111 IonicContact OD2-NH2 3.76Å
106V46.1Very low43.5Very low16 Ų1667.7 Ų67.710%0.09735%0.349CS..Hα-helixtrans-55.2-27.8172.9172.20000110.1P50 L53 W104 A108 L109 M110P50-V106 HydrophobicContact CB-CG2 3.83Å; P50-V106 HydrophobicContact CG-CG2 4.5Å; L53-V106 HydrophobicContact CD2-CB 3.9Å; L53-V106 HydrophobicContact CD2-CG1 3.53Å; L53-V106 HydrophobicContact CD2-CG2 3.97Å; L53-V106 HydrophobicContact CG-CG1 4.26Å; W104-V106 PolarHBondContact O-N 3.37Å; W104-V106 VanDerWaalsContact O-N 3.16Å; V106-A108 PolarHBondContact O-N 2.66Å; V106-L109 WeakPolarHBondContact O-CB 2.96Å; V106-L109 PolarHBondContact O-N 2.02Å; V106-M110 WeakPolarHBondContact O-CG 3.31Å; V106-M110 PolarHBondContact O-N 3.49Å; V106-M110 VanDerWaalsContact O-N 3.07Å
107A43.9Very low43.3Very low10 Ų1066.6 Ų66.68%0.08335%0.345CS..Hα-helixtrans-64.7-30.1171.200000112.2F3 F6 D105 M110 R111F3-A107 HydrophobicContact CD1-CB 3.62Å; F3-A107 HydrophobicContact CE1-CB 3.26Å; F3-A107 HydrophobicContact CZ-CB 4.15Å; F6-A107 HydrophobicContact CZ-CB 4.13Å; D105-A107 PolarHBondContact O-N 3.49Å; D105-A107 VanDerWaalsContact O-N 3.13Å; D105-A107 WeakPolarHBondContact OD1-CA 3.25Å; D105-A107 WeakPolarHBondContact OD1-CB 3.39Å; D105-A107 PolarHBondContact OD1-N 3.38Å; A107-M110 CarbonylContact O-C 3.12Å; A107-M110 PolarHBondContact O-N 3.22Å; A107-R111 WeakPolarHBondContact O-CG 3.22Å; A107-R111 PolarHBondContact O-N 2.84Å
108A43.7Very low42.7Very low7 Ų766.3 Ų66.36%0.05834%0.344CS..Hα-helixtrans-74.9-38.3176.100000111.6F96 D105 V106 M110 R111F96-A108 HydrophobicContact CE1-CB 4.34Å; F96-A108 HydrophobicContact CE2-CB 4.18Å; F96-A108 WeakPolarHBondContact CE2-O 3.35Å; F96-A108 HydrophobicContact CZ-CB 3.42Å; F96-A108 VanDerWaalsContact CZ-CB 3.42Å; F96-A108 WeakPolarHBondContact CZ-O 3.33Å; D105-A108 HydrophobicContact CB-CB 3.79Å; D105-A108 VanDerWaalsContact O-CA 3.3Å; D105-A108 WeakPolarHBondContact O-CA 3.5Å; D105-A108 VanDerWaalsContact O-CB 3.24Å; D105-A108 WeakPolarHBondContact O-CB 3.42Å; D105-A108 PolarHBondContact O-N 3.15Å; V106-A108 PolarHBondContact O-N 2.66Å; A108-M110 PolarHBondContact O-N 2.83Å; A108-R111 WeakPolarHBondContact O-CA 3.19Å; A108-R111 VanDerWaalsContact O-CB 3.31Å; A108-R111 WeakPolarHBondContact O-CB 2.97Å; A108-R111 PolarHBondContact O-N 3.31Å
109L45.5Very low42.5Very low18 Ų1863.7 Ų63.79%0.09433%0.333CS..Hα-helixtrans-54-38.8167-90.5163.3000111.3L93 F96 L97 W104 D105 V106 R111 V112L93-L109 HydrophobicContact CD1-CD2 3.29Å; F96-L109 HydrophobicContact CD1-CD2 3.63Å; F96-L109 HydrophobicContact CD1-CG 3.94Å; F96-L109 VanDerWaalsContact CE1-CA 3.47Å; F96-L109 HydrophobicContact CE1-CB 4.15Å; F96-L109 HydrophobicContact CE1-CD2 3.94Å; F96-L109 HydrophobicContact CE1-CG 3.69Å; F96-L109 VanDerWaalsContact CE1-N 3.32Å; F96-L109 VanDerWaalsContact CZ-N 3.28Å; L97-L109 HydrophobicContact CD2-CD1 4.06Å; L97-L109 HydrophobicContact CD2-CD2 3.69Å; L97-L109 HydrophobicContact CD2-CG 4.18Å; L97-L109 HydrophobicContact CG-CD2 4.1Å; W104-L109 HydrophobicContact CE3-CD1 4.5Å; W104-L109 HydrophobicContact CZ3-CD1 4.44Å; D105-L109 PolarHBondContact O-N 2.85Å; V106-L109 WeakPolarHBondContact O-CB 2.96Å; V106-L109 PolarHBondContact O-N 2.02Å; L109-R111 VanDerWaalsContact C-N 3.3Å; L109-R111 PolarHBondContact O-N 3.29Å; L109-V112 VanDerWaalsContact O-CG2 3.26Å; L109-V112 WeakPolarHBondContact O-CG2 3.03Å; L109-V112 PolarHBondContact O-N 2.64Å
110M43.2Very low42.7Very low28 Ų2858.2 Ų58.214%0.13830%0.304CS..THydrogen-bonded Turntrans-79.8-7.3177.4-62.5-68.3-69.200113.8F6 V69 F80 V106 A107 A108 V112F6-M110 HydrophobicContact CE1-CB 4.27Å; F6-M110 HydrophobicContact CE1-CE 4.39Å; F6-M110 HydrophobicContact CE1-CG 3.9Å; V69-M110 HydrophobicContact CB-CE 3.71Å; V69-M110 HydrophobicContact CG1-CE 3.78Å; F80-M110 HydrophobicContact CD2-CE 4.22Å; V106-M110 WeakPolarHBondContact O-CG 3.31Å; V106-M110 PolarHBondContact O-N 3.49Å; V106-M110 VanDerWaalsContact O-N 3.07Å; A107-M110 CarbonylContact O-C 3.12Å; A107-M110 PolarHBondContact O-N 3.22Å; A108-M110 PolarHBondContact O-N 2.83Å; M110-V112 VanDerWaalsContact C-N 3.31Å
111R39.8Very low42.8Very low155 Ų15561.7 Ų61.759%0.58532%0.315SS*.THydrogen-bonded Turntrans-82.3-8.1170.8-75172.1-158.4-170.29.7112.6D105 A107 A108 L109 P113D105-R111 IonicContact OD2-NH2 3.76Å; A107-R111 WeakPolarHBondContact O-CG 3.22Å; A107-R111 PolarHBondContact O-N 2.84Å; A108-R111 WeakPolarHBondContact O-CA 3.19Å; A108-R111 VanDerWaalsContact O-CB 3.31Å; A108-R111 WeakPolarHBondContact O-CB 2.97Å; A108-R111 PolarHBondContact O-N 3.31Å; L109-R111 VanDerWaalsContact C-N 3.3Å; L109-R111 PolarHBondContact O-N 3.29Å; R111-P113 VanDerWaalsContact O-CD 3.28Å; R111-P113 WeakPolarHBondContact O-CD 3.43Å; R111-P113 VanDerWaalsContact O-N 3.1Å
112V40.9Very low42.6Very low16 Ų1660.4 Ų60.410%0.09730%0.303CS..SBendtrans-56.6117.6174.6177.30000107.9F96 L109 M110 S114F96-V112 HydrophobicContact CB-CG2 4.27Å; F96-V112 HydrophobicContact CD2-CG2 3.79Å; F96-V112 HydrophobicContact CE2-CG2 4.45Å; F96-V112 HydrophobicContact CG-CG2 3.9Å; L109-V112 VanDerWaalsContact O-CG2 3.26Å; L109-V112 WeakPolarHBondContact O-CG2 3.03Å; L109-V112 PolarHBondContact O-N 2.64Å; M110-V112 VanDerWaalsContact C-N 3.31Å; V112-S114 PolarHBondContact O-N 3.26Å
113P39.5Very low42.8Very low81 Ų8153.2 Ų53.253%0.52626%0.264SS..  trans-56.8131.7-174.2-24.532.5000110.9R111 K115R111-P113 VanDerWaalsContact O-CD 3.28Å; R111-P113 WeakPolarHBondContact O-CD 3.43Å; R111-P113 VanDerWaalsContact O-N 3.1Å; P113-K115 PolarHBondContact O-N 3.15Å
114S39.4Very low43.1Very low62 Ų6250.7 Ų50.743%0.43425%0.246SC..G310 helixtrans-6313.8-179.860.20000115.2V112 Y116V112-S114 PolarHBondContact O-N 3.26Å; S114-Y116 VanDerWaalsContact C-N 3.3Å; S114-Y116 PolarHBondContact O-N 2.96Å
115K38.2Very low43.2Very low172 Ų17252.2 Ų52.275%0.74826%0.258SS*.G310 helixtrans-75.4-11.3-176.9-72.4-169.9176-174.90114.6P113P113-K115 PolarHBondContact O-N 3.15Å
116Y35.6Very low43.1Very low104 Ų10450.5 Ų50.541%0.40825%0.251SS..G310 helixtrans-126.63.3-166.7-60.5-69.5000115.3L83 G84 S85 S114 V118L83-Y116 CarbonylContact O-C 3.45Å; G84-Y116 CarbonylContact C-O 3.57Å; G84-Y116 WeakPolarHBondContact CA-O 3.01Å; G84-Y116 PolarHBondContact N-O 2.93Å; S85-Y116 PolarHBondContact N-O 3.02Å; S114-Y116 VanDerWaalsContact C-N 3.3Å; S114-Y116 PolarHBondContact O-N 2.96Å; Y116-V118 WeakPolarHBondContact O-CG2 3.37Å
117G40.5Very low43.3Very low4 Ų450.1 Ų50.14%0.04125%0.249CC..  trans-79.1175.2-143.100000122.1L82 L83 G84L82-G117 CarbonylContact C-O 3.49Å; L82-G117 VanDerWaalsContact CA-CA 3.45Å; L82-G117 CarbonylContact O-C 3.33Å; L83-G117 VanDerWaalsContact C-C 3.4Å; L83-G117 VanDerWaalsContact C-CA 3.41Å; L83-G117 CarbonylContact C-O 3.02Å; L83-G117 WeakPolarHBondContact CA-O 3.48Å; L83-G117 PolarHBondContact N-O 2.77Å; L83-G117 PolarHBondContact O-N 3.24Å; G84-G117 CarbonylContact C-O 3.54Å; G84-G117 VanDerWaalsContact CA-O 3.26Å; G84-G117 WeakPolarHBondContact CA-O 3.39Å; G84-G117 PolarHBondContact N-O 3.23Å
118V36.2Very low43.3Very low8 Ų854.8 Ų54.85%0.04828%0.281CS..  trans-156.1136.9-147166.60000101.7L82 L89 Y116 L120L82-V118 WeakPolarHBondContact CB-O 3.18Å; L82-V118 VanDerWaalsContact CD1-O 3.27Å; L82-V118 WeakPolarHBondContact CD1-O 3.44Å; L82-V118 PolarHBondContact O-N 3.03Å; L89-V118 HydrophobicContact CB-CB 3.8Å; L89-V118 HydrophobicContact CB-CG1 4.24Å; L89-V118 HydrophobicContact CB-CG2 3.31Å; L89-V118 HydrophobicContact CD1-CB 4Å; L89-V118 HydrophobicContact CD1-CG2 4.16Å; L89-V118 HydrophobicContact CD2-CB 3.37Å; L89-V118 HydrophobicContact CD2-CG1 3.4Å; L89-V118 HydrophobicContact CD2-CG2 3.96Å; L89-V118 HydrophobicContact CG-CB 3.85Å; L89-V118 HydrophobicContact CG-CG1 4.29Å; L89-V118 HydrophobicContact CG-CG2 3.95Å; Y116-V118 WeakPolarHBondContact O-CG2 3.37Å; V118-L120 PolarHBondContact O-N 2.83Å
119T44.9Very low43.5Very low72 Ų7256.6 Ų56.644%0.44229%0.289SS..  trans-50.7145.7-177.8620000110.3R121 S122 L123T119-R121 PolarHBondContact O-N 2.84Å; T119-R121 WeakPolarHBondContact OG1-CB 2.76Å; T119-S122 PolarHBondContact O-N 3.5Å; T119-S122 PolarHBondContact OG1-N 3.48Å; T119-L123 PolarHBondContact O-N 3.38Å; T119-L123 VanDerWaalsContact O-N 3.12Å
120L50Low43.6Very low8 Ų862.2 Ų62.24%0.04232%0.324CS..Hα-helixtrans-47.6-31.7171.4-179.670.4000110.8L8 L57 V61 V66 V69 V118 L123 L124L8-L120 HydrophobicContact CD2-CD2 4.37Å; L57-L120 HydrophobicContact CD2-CD2 4.06Å; V61-L120 HydrophobicContact CG2-CB 4Å; V61-L120 HydrophobicContact CG2-CD2 3.32Å; V61-L120 HydrophobicContact CG2-CG 3.59Å; V66-L120 HydrophobicContact CG2-CD2 4.26Å; V69-L120 HydrophobicContact CG2-CD1 3.87Å; V69-L120 HydrophobicContact CG2-CD2 3.55Å; V69-L120 HydrophobicContact CG2-CG 4.23Å; V118-L120 PolarHBondContact O-N 2.83Å; L120-L123 HydrophobicContact CD1-CD2 4.08Å; L120-L123 WeakPolarHBondContact O-CB 3.18Å; L120-L123 PolarHBondContact O-N 3.12Å; L120-L124 HydrophobicContact CD1-CD1 4.23Å; L120-L124 HydrophobicContact CD1-CG 4.42Å; L120-L124 HydrophobicContact CD2-CD1 4.35Å; L120-L124 HydrophobicContact CG-CD1 3.8Å; L120-L124 HydrophobicContact CG-CG 4.39Å; L120-L124 WeakPolarHBondContact O-CB 3.42Å; L120-L124 WeakPolarHBondContact O-CD1 3.32Å; L120-L124 WeakPolarHBondContact O-CG 3.12Å; L120-L124 PolarHBondContact O-N 3.4Å
121R45.1Very low43.9Very low139 Ų13964.5 Ų64.553%0.52534%0.342SS..Hα-helixtrans-53.3-57.3170.9-166.6165.9-179.5-130.3-2.6114.6V61 T119 L123 L124 I125V61-R121 HydrophobicContact CG1-CB 3.39Å; V61-R121 HydrophobicContact CG1-CG 3.43Å; V61-R121 VanDerWaalsContact CG1-CG 3.43Å; T119-R121 PolarHBondContact O-N 2.84Å; T119-R121 WeakPolarHBondContact OG1-CB 2.76Å; R121-L123 VanDerWaalsContact C-N 3.29Å; R121-L123 PolarHBondContact O-N 1.97Å; R121-L124 PolarHBondContact O-N 3.03Å; R121-I125 HydrophobicContact CG-CD1 3.83Å; R121-I125 VanDerWaalsContact O-CG1 3.25Å; R121-I125 WeakPolarHBondContact O-CG1 3.15Å; R121-I125 PolarHBondContact O-N 3.23Å
122S41.9Very low44.1Very low18 Ų1860 Ų6013%0.12633%0.33CS..Hα-helixtrans-67.4-31179.9-71.40000111.9E86 T119 L124 I125 A126E86-S122 WeakPolarHBondContact OE1-CB 3.39Å; E86-S122 PolarHBondContact OE1-OG 3.39Å; T119-S122 PolarHBondContact O-N 3.5Å; T119-S122 PolarHBondContact OG1-N 3.48Å; S122-L124 VanDerWaalsContact C-N 3.35Å; S122-L124 PolarHBondContact O-N 3.26Å; S122-I125 PolarHBondContact O-N 3.14Å; S122-A126 WeakPolarHBondContact O-CB 3.39Å; S122-A126 PolarHBondContact O-N 3.41Å
123L48.6Very low44.3Very low18 Ų1862.3 Ų62.39%0.09434%0.342CS..Hα-helixtrans-59.1-46.5170.6-168.491.5000111.2L89 L93 T119 L120 R121 A126 S127L89-L123 HydrophobicContact CD2-CB 4.19Å; L89-L123 HydrophobicContact CD2-CD1 3.65Å; L89-L123 HydrophobicContact CG-CD1 4.4Å; L93-L123 HydrophobicContact CB-CD1 4.42Å; L93-L123 HydrophobicContact CD1-CD1 3.42Å; L93-L123 VanDerWaalsContact CD1-CD1 3.42Å; L93-L123 HydrophobicContact CD1-CG 4Å; L93-L123 HydrophobicContact CD2-CB 4.42Å; L93-L123 HydrophobicContact CD2-CD1 3.68Å; L93-L123 HydrophobicContact CD2-CG 3.73Å; L93-L123 WeakPolarHBondContact CD2-O 3.19Å; L93-L123 HydrophobicContact CG-CD1 3.99Å; L93-L123 HydrophobicContact CG-CG 4.45Å; T119-L123 PolarHBondContact O-N 3.38Å; T119-L123 VanDerWaalsContact O-N 3.12Å; L120-L123 HydrophobicContact CD1-CD2 4.08Å; L120-L123 WeakPolarHBondContact O-CB 3.18Å; L120-L123 PolarHBondContact O-N 3.12Å; R121-L123 VanDerWaalsContact C-N 3.29Å; R121-L123 PolarHBondContact O-N 1.97Å; L123-A126 PolarHBondContact O-N 3.17Å; L123-S127 PolarHBondContact O-N 3.33Å
124L50.3Low44.5Very low9 Ų961.3 Ų61.35%0.04733%0.332CS..Hα-helixtrans-76.7-29.7-176.9-64.3166.3000112.8L54 L57 R58 V61 L120 R121 S122 S127L54-L124 HydrophobicContact CD1-CD2 3.31Å; L54-L124 HydrophobicContact CG-CD2 3.95Å; L57-L124 VanDerWaalsContact C-CD1 3.48Å; L57-L124 HydrophobicContact CB-CD1 3.89Å; L57-L124 HydrophobicContact CB-CD2 4.15Å; R58-L124 HydrophobicContact CG-CB 3.83Å; R58-L124 HydrophobicContact CG-CD1 4.19Å; R58-L124 HydrophobicContact CG-CD2 4.01Å; R58-L124 HydrophobicContact CG-CG 4.22Å; V61-L124 HydrophobicContact CB-CD1 4.04Å; V61-L124 HydrophobicContact CG1-CD1 4.46Å; V61-L124 HydrophobicContact CG2-CD1 3.65Å; L120-L124 HydrophobicContact CD1-CD1 4.23Å; L120-L124 HydrophobicContact CD1-CG 4.42Å; L120-L124 HydrophobicContact CD2-CD1 4.35Å; L120-L124 HydrophobicContact CG-CD1 3.8Å; L120-L124 HydrophobicContact CG-CG 4.39Å; L120-L124 WeakPolarHBondContact O-CB 3.42Å; L120-L124 WeakPolarHBondContact O-CD1 3.32Å; L120-L124 WeakPolarHBondContact O-CG 3.12Å; L120-L124 PolarHBondContact O-N 3.4Å; R121-L124 PolarHBondContact O-N 3.03Å; S122-L124 VanDerWaalsContact C-N 3.35Å; S122-L124 PolarHBondContact O-N 3.26Å; L124-S127 WeakPolarHBondContact CA-OG 3.45Å; L124-S127 PolarHBondContact O-OG 3.26Å
125I48.1Very low44.8Very low102 Ų10261.2 Ų61.252%0.52333%0.326SS..Hα-helixtrans-68.2-45.3170.4-67.2165.5000110.3R121 S122 S127R121-I125 HydrophobicContact CG-CD1 3.83Å; R121-I125 VanDerWaalsContact O-CG1 3.25Å; R121-I125 WeakPolarHBondContact O-CG1 3.15Å; R121-I125 PolarHBondContact O-N 3.23Å; S122-I125 PolarHBondContact O-N 3.14Å; I125-S127 PolarHBondContact O-N 3.19Å
126A44.5Very low45.2Very low13 Ų1354.3 Ų54.311%0.10730%0.3CS..Hα-helixtrans-62.9-32.1178.500000112.2S90 L93 S122 L123 S128S90-A126 WeakPolarHBondContact OG-CB 3.24Å; L93-A126 HydrophobicContact CD2-CB 3.87Å; S122-A126 WeakPolarHBondContact O-CB 3.39Å; S122-A126 PolarHBondContact O-N 3.41Å; L123-A126 PolarHBondContact O-N 3.17Å; A126-S128 PolarHBondContact O-N 3.29Å; A126-S128 PolarHBondContact O-OG 2.85Å
127S48.8Very low45.9Very low9 Ų951 Ų516%0.06329%0.293CS..  trans-6488167.672.30000109.7R58 L123 L124 I125 I129R58-S127 PolarHBondContact NH2-O 3.3Å; R58-S127 PolarHBondContact NH2-OG 3.3Å; L123-S127 PolarHBondContact O-N 3.33Å; L124-S127 WeakPolarHBondContact CA-OG 3.45Å; L124-S127 PolarHBondContact O-OG 3.26Å; I125-S127 PolarHBondContact O-N 3.19Å; S127-I129 PolarHBondContact O-N 3.04Å
128S45.5Very low46.3Very low107 Ų10754.4 Ų54.475%0.74831%0.311SS*.  trans-66.59.8167.1-51.30000111.9A126 T130A126-S128 PolarHBondContact O-N 3.29Å; A126-S128 PolarHBondContact O-OG 2.85Å; S128-T130 PolarHBondContact O-N 2.84Å
129I46.9Very low47Very low45 Ų4557.9 Ų57.923%0.23133%0.331CS..  trans-76.2114.2-171.5-56.7-177.9000108.8R58 L97 W104 S127 C131R58-I129 PolarHBondContact NH1-O 3.06Å; R58-I129 PolarHBondContact NH2-O 3.25Å; L97-I129 HydrophobicContact CB-CD1 4.13Å; L97-I129 HydrophobicContact CD1-CD1 3.6Å; L97-I129 HydrophobicContact CD1-CG1 4.46Å; L97-I129 HydrophobicContact CD2-CD1 3.64Å; L97-I129 HydrophobicContact CG-CD1 3.98Å; W104-I129 HydrophobicContact CH2-CB 4.12Å; W104-I129 HydrophobicContact CH2-CD1 3.35Å; W104-I129 HydrophobicContact CH2-CG1 4.3Å; W104-I129 HydrophobicContact CH2-CG2 3.61Å; W104-I129 HydrophobicContact CZ2-CD1 3.73Å; W104-I129 HydrophobicContact CZ2-CG2 3.71Å; W104-I129 HydrophobicContact CZ3-CD1 4.38Å; S127-I129 PolarHBondContact O-N 3.04Å; I129-C131 PolarHBondContact O-N 3.32Å
130T48.6Very low47.2Very low137 Ų13756.8 Ų56.884%0.8432%0.322SS*.  trans-66.3110.5164-27.30000106.9S128S128-T130 PolarHBondContact O-N 2.84Å
131C48.4Very low47Very low76 Ų7661.2 Ų61.251%0.51435%0.347SS..  trans-83.10164.5-66.90000108.8C51 Q55 I129C51-C131 HydrophobicContact CB-CB 3.89Å; C51-C131 VanDerWaalsContact SG-SG 3.65Å; Q55-C131 HydrophobicContact CG-CB 4.25Å; I129-C131 PolarHBondContact O-N 3.32Å

Retrieved 131 of 131 residues in 442.1 ms (Link to these results)

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