G4V7H8_SCHMA Loading...

Putative rab-18

AlphaFold DB , UniProt , Accession G4V7H8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 211 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.7Very low54Low239 Ų239132.7 Ų132.7100%1.17767%0.673SS**  098.60-71.2-178.1173.900108.4
2H34.9Very low57.4Low178 Ų178121.7 Ų121.782%0.82462%0.617SS**  trans-128.7100.8175.3-92.225.6000107.1N4H2-N4 PolarHBondContact O-N 2.86Å
3R37Very low60.3Low252 Ų252114.1 Ų114.195%0.95158%0.577SS**  trans-81.894.5160.4-86.4-175171.1-178-2.2106.4G5R3-G5 PolarHBondContact O-N 2.89Å
4N32.7Very low62.8Low156 Ų156105.9 Ų105.983%0.83454%0.536SS*.  trans-68.578.7157.7-87.4-8.8000107.5H2 N6H2-N4 PolarHBondContact O-N 2.86Å; N4-N6 PolarHBondContact O-N 3.33Å
5G37Very low65Low60 Ų6098.9 Ų98.962%0.61950%0.5SS*.  trans-78.5100.617000000108R3 E7R3-G5 PolarHBondContact O-N 2.89Å; G5-E7 PolarHBondContact O-N 3.36Å
6N45Very low66.9Low154 Ų15492.7 Ų92.782%0.82447%0.469SS*.  trans-67.771.9162.6-15617.6000107.2N4 L8N4-N6 PolarHBondContact O-N 3.33Å; N6-L8 PolarHBondContact O-N 3.29Å
7E56.2Low68.5Low105 Ų10587.2 Ų87.249%0.49144%0.441SS..  trans-69.5100.4-177.6-154.2172.7-169.100106G5 L9 K60G5-E7 PolarHBondContact O-N 3.36Å; E7-L9 VanDerWaalsContact C-N 3.32Å; E7-L9 PolarHBondContact O-N 3.37Å; E7-K60 VanDerWaalsContact CD-CD 3.47Å; E7-K60 VanDerWaalsContact CD-CE 3.47Å; E7-K60 HydrophobicContact CG-CD 4.43Å; E7-K60 WeakPolarHBondContact OE1-CD 3.48Å; E7-K60 WeakPolarHBondContact OE1-CE 3.13Å; E7-K60 IonicContact OE1-NZ 3.98Å; E7-K60 PolarHBondContact OE1-NZ 2.96Å; E7-K60 WeakPolarHBondContact OE2-CD 3.27Å; E7-K60 WeakPolarHBondContact OE2-CE 3.48Å; E7-K60 IonicContact OE2-NZ 3.06Å; E7-K60 PolarHBondContact OE2-NZ 3.07Å
8L57.5Low70Confident149 Ų14982.4 Ų82.478%0.7842%0.417SS*.  trans-59.795.9-179.1-74165.1000108.6N6 V10N6-L8 PolarHBondContact O-N 3.29Å; L8-V10 PolarHBondContact O-N 3.28Å
9L72.4Confident71.3Confident76 Ų7679.3 Ų79.340%0.39840%0.401SS..  trans-67.6114.6174.1-66.4178.6000108.4E7 N11 K60 K62E7-L9 VanDerWaalsContact C-N 3.32Å; E7-L9 PolarHBondContact O-N 3.37Å; L9-N11 PolarHBondContact O-N 2.9Å; L9-K60 HydrophobicContact CD2-CB 3.41Å; L9-K60 VanDerWaalsContact CD2-CB 3.41Å; L9-K60 HydrophobicContact CD2-CD 4.28Å; L9-K60 HydrophobicContact CD2-CG 4.49Å; L9-K62 HydrophobicContact CB-CB 4.47Å
10V89.1Confident72.3Confident24 Ų2478.1 Ų78.115%0.14540%0.4CS..EExtended strand (participates in β ladder)trans-68.9126.1173-1770000107.8L8 F12 T59 K60 I61 K62 W180L8-V10 PolarHBondContact O-N 3.28Å; V10-F12 HydrophobicContact CB-CE1 4.47Å; V10-F12 HydrophobicContact CG1-CD1 3.89Å; V10-F12 HydrophobicContact CG1-CE1 3.34Å; V10-F12 HydrophobicContact CG1-CZ 4.16Å; V10-T59 HydrophobicContact CG2-CG2 4.02Å; V10-K60 PolarHBondContact N-O 3.3Å; V10-I61 HydrophobicContact CB-CG1 4.46Å; V10-I61 CarbonylContact O-C 3.57Å; V10-I61 VanDerWaalsContact O-CA 3.31Å; V10-I61 WeakPolarHBondContact O-CA 3.28Å; V10-K62 PolarHBondContact O-N 3.32Å; V10-W180 HydrophobicContact CB-CE3 4.31Å; V10-W180 HydrophobicContact CG1-CB 3.92Å; V10-W180 HydrophobicContact CG1-CD2 3.88Å; V10-W180 HydrophobicContact CG1-CE3 3.47Å; V10-W180 VanDerWaalsContact CG1-CE3 3.47Å; V10-W180 HydrophobicContact CG1-CG 4.11Å; V10-W180 HydrophobicContact CG1-CZ3 4.2Å; V10-W180 HydrophobicContact CG2-CE3 3.8Å; V10-W180 HydrophobicContact CG2-CZ3 3.68Å
11N92Very high73.3Confident67 Ų6776.9 Ų76.936%0.35841%0.408SS..EExtended strand (participates in β ladder)trans-95.3122.9178.9-173.1-101.8000110.7L9 K62 S64 H86L9-N11 PolarHBondContact O-N 2.9Å; N11-K62 WeakPolarHBondContact CA-O 3.31Å; N11-K62 PolarHBondContact ND2-O 2.72Å; N11-S64 PolarHBondContact ND2-OG 2.7Å; N11-S64 VanDerWaalsContact ND2-OG 3.11Å; N11-H86 PolarHBondContact O-CE1 3.27Å
12F95.5Very high76Confident0 Ų065.6 Ų65.60%035%0.352CS..EExtended strand (participates in β ladder)trans-107.9138.7169.5-68.6-7.3000109.4V10 I61 K62 L63 S64 V170 I173 Y174 W180V10-F12 HydrophobicContact CB-CE1 4.47Å; V10-F12 HydrophobicContact CG1-CD1 3.89Å; V10-F12 HydrophobicContact CG1-CE1 3.34Å; V10-F12 HydrophobicContact CG1-CZ 4.16Å; F12-I61 HydrophobicContact CB-CG2 4.14Å; F12-I61 HydrophobicContact CD1-CG2 4.4Å; F12-I61 HydrophobicContact CD2-CD1 4.23Å; F12-I61 HydrophobicContact CD2-CG2 3.55Å; F12-I61 HydrophobicContact CE2-CD1 3.61Å; F12-I61 HydrophobicContact CE2-CG1 4.26Å; F12-I61 HydrophobicContact CE2-CG2 4Å; F12-I61 HydrophobicContact CG-CG2 3.76Å; F12-I61 HydrophobicContact CZ-CD1 4.03Å; F12-I61 HydrophobicContact CZ-CG1 4.41Å; F12-K62 PolarHBondContact N-O 3.06Å; F12-L63 HydrophobicContact CB-CD1 3.84Å; F12-S64 WeakPolarHBondContact O-CB 3Å; F12-S64 PolarHBondContact O-N 2.65Å; F12-V170 HydrophobicContact CD2-CG1 4.5Å; F12-V170 HydrophobicContact CE2-CG1 4.34Å; F12-I173 HydrophobicContact CB-CD1 4.12Å; F12-I173 HydrophobicContact CD1-CG2 3.6Å; F12-I173 HydrophobicContact CD2-CB 3.77Å; F12-I173 HydrophobicContact CD2-CD1 3.94Å; F12-I173 HydrophobicContact CD2-CG2 3.65Å; F12-I173 HydrophobicContact CE1-CG2 3.58Å; F12-I173 HydrophobicContact CE2-CB 3.67Å; F12-I173 HydrophobicContact CE2-CG2 3.6Å; F12-I173 HydrophobicContact CG-CB 4.27Å; F12-I173 HydrophobicContact CG-CD1 4.17Å; F12-I173 HydrophobicContact CG-CG2 3.67Å; F12-I173 HydrophobicContact CZ-CB 4.11Å; F12-I173 HydrophobicContact CZ-CG2 3.59Å; F12-Y174 HydrophobicContact CZ-CD2 4.08Å; F12-W180 HydrophobicContact CD1-CB 4.23Å; F12-W180 HydrophobicContact CE1-CB 3.54Å; F12-W180 AromaticContact CE1-CD1 3.85Å; F12-W180 HydrophobicContact CE1-CD2 4.27Å; F12-W180 AromaticContact CE1-CG 3.62Å; F12-W180 HydrophobicContact CE1-CG 3.62Å; F12-W180 HydrophobicContact CZ-CB 4.49Å; F12-W180 AromaticContact CZ-CD1 3.98Å; F12-W180 HydrophobicContact CZ-CG 4.13Å
13K94.7Very high79Confident23 Ų2357.5 Ų57.510%0.132%0.317CS..EExtended strand (participates in β ladder)trans-114.9119.1177.6-179.1175.3175.1-175.70109.3S64 N80 V81 R83 S85 H86 A87K13-S64 WeakPolarHBondContact CA-O 3.34Å; K13-N80 PolarHBondContact NZ-O 3.42Å; K13-V81 WeakPolarHBondContact CE-O 3.48Å; K13-V81 PolarHBondContact NZ-O 3.11Å; K13-R83 PolarHBondContact NZ-O 3.16Å; K13-S85 VanDerWaalsContact CE-OG 3.27Å; K13-S85 WeakPolarHBondContact CE-OG 3.39Å; K13-H86 PolarHBondContact N-ND1 2.76Å; K13-H86 PolarHBondContact O-N 2.98Å; K13-A87 PolarHBondContact O-N 3.35Å
14L96Very high81.8Confident0 Ų046 Ų460%027%0.274CS..EExtended strand (participates in β ladder)trans-115.8133.3-179.7169.360.8000110.1L16 L63 S64 I65 W66 A87 V89 F166 V169L14-L16 HydrophobicContact CD2-CD2 4.4Å; L14-L16 HydrophobicContact CG-CD2 4.47Å; L14-L63 HydrophobicContact CB-CD1 4.08Å; L14-S64 PolarHBondContact N-O 3Å; L14-I65 HydrophobicContact CD2-CG1 4.27Å; L14-I65 HydrophobicContact CD2-CG2 4.08Å; L14-I65 HydrophobicContact CG-CG2 4.22Å; L14-I65 WeakPolarHBondContact O-CA 3.32Å; L14-W66 PolarHBondContact O-N 3.47Å; L14-A87 WeakPolarHBondContact CA-O 3.35Å; L14-A87 HydrophobicContact CD1-CB 3.94Å; L14-V89 HydrophobicContact CD1-CB 4.34Å; L14-V89 HydrophobicContact CD1-CG2 3.73Å; L14-F166 HydrophobicContact CD2-CD1 3.74Å; L14-F166 HydrophobicContact CD2-CE1 3.69Å; L14-V169 HydrophobicContact CD1-CG1 3.97Å; L14-V169 HydrophobicContact CD2-CG1 4.1Å; L14-V169 HydrophobicContact CG-CG1 4.48Å
15L95.5Very high84.8Confident0 Ų039.3 Ų39.30%024%0.24CC..EExtended strand (participates in β ladder)trans-101.2138.1169.9-54.3179.7000111.1I17 W66 V81 Y82 S85 A87 A88 V89 L110L15-I17 HydrophobicContact CB-CD1 4.12Å; L15-I17 HydrophobicContact CB-CG1 4Å; L15-I17 HydrophobicContact CD1-CD1 4.16Å; L15-W66 HydrophobicContact CD2-CB 3.75Å; L15-W66 HydrophobicContact CD2-CG 4.17Å; L15-V81 HydrophobicContact CD2-CG1 3.69Å; L15-V81 WeakPolarHBondContact CD2-O 3.39Å; L15-Y82 HydrophobicContact CD1-CD1 4.14Å; L15-Y82 HydrophobicContact CD1-CD2 4.34Å; L15-Y82 HydrophobicContact CD1-CG 4.05Å; L15-S85 WeakPolarHBondContact CD1-OG 3.44Å; L15-S85 WeakPolarHBondContact CD2-OG 3.35Å; L15-S85 VanDerWaalsContact CG-OG 3.3Å; L15-S85 WeakPolarHBondContact CG-OG 3.28Å; L15-A87 PolarHBondContact N-O 3.3Å; L15-A88 HydrophobicContact CB-CB 4.23Å; L15-A88 CarbonylContact O-C 3.55Å; L15-A88 WeakPolarHBondContact O-CA 3.27Å; L15-V89 PolarHBondContact O-N 2.96Å; L15-L110 HydrophobicContact CD1-CD1 4.32Å
16L96Very high87.7Confident0 Ų037.3 Ų37.30%022%0.216CC..EExtended strand (participates in β ladder)trans-101.4123.3161.3-53.4-178.2000108.3L14 K24 L28 I65 W66 D67 T68 V89 F166L14-L16 HydrophobicContact CD2-CD2 4.4Å; L14-L16 HydrophobicContact CG-CD2 4.47Å; L16-K24 HydrophobicContact CB-CB 4.08Å; L16-K24 HydrophobicContact CB-CD 4.16Å; L16-K24 HydrophobicContact CB-CG 4.36Å; L16-K24 HydrophobicContact CD1-CB 4.32Å; L16-K24 WeakPolarHBondContact CD1-O 3.46Å; L16-L28 HydrophobicContact CD1-CB 4.07Å; L16-I65 HydrophobicContact CD1-CG2 4.15Å; L16-I65 HydrophobicContact CD2-CG2 4.43Å; L16-I65 HydrophobicContact CG-CG2 4.02Å; L16-W66 PolarHBondContact N-O 3.44Å; L16-D67 HydrophobicContact CD1-CB 4.48Å; L16-T68 WeakPolarHBondContact O-CG2 3.4Å; L16-T68 PolarHBondContact O-N 2.85Å; L16-T68 PolarHBondContact O-OG1 2.99Å; L16-V89 HydrophobicContact CD2-CB 3.94Å; L16-V89 HydrophobicContact CD2-CG1 4.3Å; L16-F166 HydrophobicContact CD2-CE1 4.34Å; L16-F166 HydrophobicContact CD2-CZ 4.49Å
17I93.9Very high90.2Very high0 Ų030 Ų300%018%0.177CC..EExtended strand (participates in β ladder)trans-128.9144.2-173.9-56.4177.9000109.3L15 Y82 A88 V89 F90 V91 W106 L110L15-I17 HydrophobicContact CB-CD1 4.12Å; L15-I17 HydrophobicContact CB-CG1 4Å; L15-I17 HydrophobicContact CD1-CD1 4.16Å; I17-Y82 HydrophobicContact CD1-CE1 3.69Å; I17-A88 HydrophobicContact CD1-CB 3.96Å; I17-V89 PolarHBondContact N-O 3.45Å; I17-F90 HydrophobicContact CB-CD1 4.38Å; I17-F90 HydrophobicContact CG2-CD1 4.25Å; I17-F90 HydrophobicContact CG2-CE1 4.18Å; I17-F90 CarbonylContact O-C 3.58Å; I17-F90 WeakPolarHBondContact O-CA 3.45Å; I17-V91 PolarHBondContact O-N 3.49Å; I17-W106 HydrophobicContact CG2-CB 3.85Å; I17-W106 HydrophobicContact CG2-CD2 3.73Å; I17-W106 HydrophobicContact CG2-CE3 3.39Å; I17-W106 HydrophobicContact CG2-CG 3.95Å; I17-W106 HydrophobicContact CG2-CZ3 4.19Å; I17-L110 HydrophobicContact CD1-CD1 3.97Å
18G94.7Very high92.1Very high0 Ų025.1 Ų25.10%015%0.154CC..SBendtrans146.6173.6178.900000111.8K24 G70 W106G18-K24 PolarHBondContact O-NZ 3.08Å; G18-G70 VanDerWaalsContact O-CA 3.25Å; G18-G70 WeakPolarHBondContact O-CA 3.46Å; G18-W106 VanDerWaalsContact C-CE2 3.48Å; G18-W106 WeakPolarHBondContact O-CZ2 3.34Å
19D94.1Very high94Very high23 Ų2319.5 Ų19.512%0.12312%0.124CC..  trans-59.5163.5-176.4-80.610.5000113.6V22 K24 H102 W106D19-V22 HydrophobicContact CB-CG1 3.82Å; D19-V22 VanDerWaalsContact O-CG2 3.25Å; D19-V22 WeakPolarHBondContact O-CG2 3.46Å; D19-K24 PolarHBondContact O-NZ 3.04Å; D19-H102 IonicContact OD1-ND1 2.76Å; D19-H102 IonicContact OD2-CE1 3.1Å; D19-H102 IonicContact OD2-CG 2.85Å; D19-H102 IonicContact OD2-ND1 3.87Å; D19-H102 PolarHBondContact OD2-ND1 3.26Å; D19-W106 PolarHBondContact OD1-NE1 2.83Å
20S92.8Very high95.2Very high55 Ų5517.6 Ų17.639%0.38511%0.112SC..THydrogen-bonded Turntrans-61.3141.9170.8-168.60000110.2V22 G70S20-V22 VanDerWaalsContact C-N 3.28Å; S20-V22 PolarHBondContact O-N 3.43Å; S20-G70 PolarHBondContact N-O 3.49Å
21G93.6Very high95.5Very high54 Ų5417.5 Ų17.556%0.55711%0.109SC*.THydrogen-bonded Turntrans79.1-6.3175.300000116.3G23 K127G21-G23 PolarHBondContact O-N 3.39Å; G21-G23 VanDerWaalsContact O-N 3.15Å; G21-K127 WeakPolarHBondContact O-CE 3.41Å; G21-K127 PolarHBondContact O-NZ 3.46Å
22V96.3Very high95.7Very high1 Ų115.1 Ų15.11%0.00610%0.097CC..SBendtrans-67.9-12.7177.7-55.30000114D19 S20 K24 V91 D93 N126D19-V22 HydrophobicContact CB-CG1 3.82Å; D19-V22 VanDerWaalsContact O-CG2 3.25Å; D19-V22 WeakPolarHBondContact O-CG2 3.46Å; S20-V22 VanDerWaalsContact C-N 3.28Å; S20-V22 PolarHBondContact O-N 3.43Å; V22-K24 HydrophobicContact CG2-CD 4.32Å; V22-K24 HydrophobicContact CG2-CG 3.67Å; V22-V91 HydrophobicContact CB-CG1 4.32Å; V22-V91 HydrophobicContact CG2-CB 3.95Å; V22-V91 HydrophobicContact CG2-CG1 3.85Å; V22-V91 WeakPolarHBondContact CG2-O 3.22Å; V22-D93 HydrophobicContact CB-CB 4.3Å; V22-D93 HydrophobicContact CG1-CB 4.28Å; V22-N126 PolarHBondContact O-ND2 3.42Å
23G96.7Very high95.6Very high9 Ų919.7 Ų19.79%0.09312%0.121CC..SBendtrans9923.1173.200000115.7G21 S25 S26 L27G21-G23 PolarHBondContact O-N 3.39Å; G21-G23 VanDerWaalsContact O-N 3.15Å; G23-S25 PolarHBondContact O-N 3.49Å; G23-S26 PolarHBondContact O-N 3.15Å; G23-L27 WeakPolarHBondContact O-CG 3.3Å; G23-L27 PolarHBondContact O-N 3.22Å
24K96.7Very high95.7Very high9 Ų923.7 Ų23.74%0.03914%0.144CC..Hα-helixtrans-53.5-52.7175-57.2-172.7-59.5-75.50112.5L16 G18 D19 V22 S26 L27 L28 D67 T68 V91L16-K24 HydrophobicContact CB-CB 4.08Å; L16-K24 HydrophobicContact CB-CD 4.16Å; L16-K24 HydrophobicContact CB-CG 4.36Å; L16-K24 HydrophobicContact CD1-CB 4.32Å; L16-K24 WeakPolarHBondContact CD1-O 3.46Å; G18-K24 PolarHBondContact O-NZ 3.08Å; D19-K24 PolarHBondContact O-NZ 3.04Å; V22-K24 HydrophobicContact CG2-CD 4.32Å; V22-K24 HydrophobicContact CG2-CG 3.67Å; K24-S26 VanDerWaalsContact C-N 3.34Å; K24-S26 PolarHBondContact O-N 3.06Å; K24-L27 WeakPolarHBondContact O-CB 3.49Å; K24-L27 PolarHBondContact O-N 3.18Å; K24-L28 PolarHBondContact O-N 2.77Å; K24-D67 WeakPolarHBondContact CB-OD1 3.38Å; K24-T68 WeakPolarHBondContact CE-O 3.41Å; K24-T68 PolarHBondContact NZ-O 3.48Å; K24-V91 HydrophobicContact CG-CB 4.03Å; K24-V91 HydrophobicContact CG-CG2 4.1Å
25S95.7Very high95.7Very high17 Ų1726.7 Ų26.712%0.11916%0.164CC..Hα-helixtrans-62.9-39.4177.1-39.20000112.2G23 L28 M29 T43 D67G23-S25 PolarHBondContact O-N 3.49Å; S25-L28 WeakPolarHBondContact O-CB 3.4Å; S25-L28 PolarHBondContact O-N 2.92Å; S25-M29 WeakPolarHBondContact O-CG 3.45Å; S25-M29 PolarHBondContact O-N 2.81Å; S25-T43 PolarHBondContact OG-OG1 2.51Å; S25-D67 WeakPolarHBondContact CA-OD2 3.36Å; S25-D67 VanDerWaalsContact CB-OD2 3.23Å; S25-D67 WeakPolarHBondContact CB-OD2 3.38Å; S25-D67 PolarHBondContact N-OD1 3.23Å; S25-D67 PolarHBondContact OG-OD2 2.9Å
26S97.3Very high95.7Very high17 Ų1730.1 Ų30.112%0.11918%0.179CC..Hα-helixtrans-64.2-40.7175.8-50.50000112G23 K24 L28 R30G23-S26 PolarHBondContact O-N 3.15Å; K24-S26 VanDerWaalsContact C-N 3.34Å; K24-S26 PolarHBondContact O-N 3.06Å; S26-L28 VanDerWaalsContact C-N 3.35Å; S26-R30 VanDerWaalsContact O-CB 3.23Å; S26-R30 WeakPolarHBondContact O-CB 3.38Å; S26-R30 PolarHBondContact O-N 3.21Å
27L97.9Very high95.6Very high1 Ų135 Ų351%0.00520%0.202CC..Hα-helixtrans-62.6-43.5173.2-73.6170.2000111G23 K24 R30 Y31 V91 N126 T154 A156 V162G23-L27 WeakPolarHBondContact O-CG 3.3Å; G23-L27 PolarHBondContact O-N 3.22Å; K24-L27 WeakPolarHBondContact O-CB 3.49Å; K24-L27 PolarHBondContact O-N 3.18Å; L27-R30 PolarHBondContact O-N 3.41Å; L27-Y31 WeakPolarHBondContact O-CB 3.4Å; L27-Y31 PolarHBondContact O-N 3.11Å; L27-V91 HydrophobicContact CD1-CG1 3.95Å; L27-V91 HydrophobicContact CD1-CG2 4.17Å; L27-N126 HydrophobicContact CD1-CB 4.28Å; L27-T154 HydrophobicContact CD2-CG2 4.49Å; L27-A156 HydrophobicContact CD2-CB 4.04Å; L27-A156 HydrophobicContact CG-CB 4.29Å; L27-V162 HydrophobicContact CD2-CG1 4.43Å; L27-V162 HydrophobicContact CD2-CG2 3.78Å
28L96.8Very high95.3Very high2 Ų240.1 Ų40.11%0.0124%0.238CC..Hα-helixtrans-60.6-51177.5-178.655000111.5L16 K24 S25 S26 R30 Y31 T32 K49 I65 D67L16-L28 HydrophobicContact CD1-CB 4.07Å; K24-L28 PolarHBondContact O-N 2.77Å; S25-L28 WeakPolarHBondContact O-CB 3.4Å; S25-L28 PolarHBondContact O-N 2.92Å; S26-L28 VanDerWaalsContact C-N 3.35Å; L28-R30 PolarHBondContact O-N 3.22Å; L28-Y31 PolarHBondContact O-N 2.78Å; L28-T32 HydrophobicContact CD1-CG2 3.79Å; L28-T32 HydrophobicContact CG-CG2 4.49Å; L28-T32 WeakPolarHBondContact O-CG2 3.33Å; L28-T32 PolarHBondContact O-N 2.99Å; L28-T32 PolarHBondContact O-OG1 2.9Å; L28-T32 VanDerWaalsContact O-OG1 3.14Å; L28-K49 HydrophobicContact CD1-CB 4.05Å; L28-K49 HydrophobicContact CD1-CG 4.19Å; L28-K49 HydrophobicContact CD2-CB 4.19Å; L28-K49 HydrophobicContact CD2-CG 3.71Å; L28-K49 HydrophobicContact CG-CB 4.36Å; L28-K49 HydrophobicContact CG-CG 3.95Å; L28-I65 HydrophobicContact CD1-CB 3.84Å; L28-I65 HydrophobicContact CD1-CD1 3.66Å; L28-I65 HydrophobicContact CD1-CG1 4.35Å; L28-I65 HydrophobicContact CD1-CG2 3.73Å; L28-D67 HydrophobicContact CD2-CB 3.72Å
29M95.5Very high95Very high31 Ų3148.5 Ų48.515%0.15328%0.277CS..Hα-helixtrans-62.4-42.7178.3-69.3-157-53.400112.4S25 Y31 T32 N33 D34 E37 L40S25-M29 WeakPolarHBondContact O-CG 3.45Å; S25-M29 PolarHBondContact O-N 2.81Å; M29-Y31 VanDerWaalsContact C-N 3.29Å; M29-Y31 PolarHBondContact O-N 3.05Å; M29-T32 PolarHBondContact O-N 2.79Å; M29-N33 WeakPolarHBondContact O-CB 3.35Å; M29-N33 PolarHBondContact O-N 3.01Å; M29-D34 PolarHBondContact O-N 3.4Å; M29-E37 HydrophobicContact CE-CB 4.25Å; M29-E37 HydrophobicContact CE-CG 4.2Å; M29-L40 HydrophobicContact CE-CD1 3.6Å; M29-L40 HydrophobicContact CE-CD2 4.08Å; M29-L40 HydrophobicContact CE-CG 4.43Å; M29-L40 HydrophobicContact SD-CD1 4.18Å
30R97.5Very high94.6Very high37 Ų3750.4 Ų50.414%0.1429%0.287CS..Hα-helixtrans-59.7-43.1176.7176.155.773.4-173.32.9110.8S26 L27 L28 D34 C35 A156 K157 S159 V162S26-R30 VanDerWaalsContact O-CB 3.23Å; S26-R30 WeakPolarHBondContact O-CB 3.38Å; S26-R30 PolarHBondContact O-N 3.21Å; L27-R30 PolarHBondContact O-N 3.41Å; L28-R30 PolarHBondContact O-N 3.22Å; R30-D34 WeakPolarHBondContact CD-OD1 3.27Å; R30-D34 IonicContact CZ-OD1 2.98Å; R30-D34 VanDerWaalsContact NH1-C 3.25Å; R30-D34 PolarHBondContact NH1-O 3.19Å; R30-D34 IonicContact NH1-OD1 2.74Å; R30-D34 PolarHBondContact NH1-OD1 3.03Å; R30-D34 WeakPolarHBondContact O-CA 3.27Å; R30-D34 PolarHBondContact O-N 3.49Å; R30-D34 VanDerWaalsContact O-N 3.07Å; R30-C35 WeakPolarHBondContact CA-O 3.22Å; R30-C35 PolarHBondContact N-O 3.33Å; R30-A156 HydrophobicContact CB-CB 4.46Å; R30-A156 PolarHBondContact NE-O 2.83Å; R30-K157 PolarHBondContact NH2-O 3.38Å; R30-S159 WeakPolarHBondContact CD-OG 3.16Å; R30-V162 HydrophobicContact CB-CG1 4.27Å; R30-V162 HydrophobicContact CG-CB 4.14Å; R30-V162 HydrophobicContact CG-CG1 3.9Å; R30-V162 HydrophobicContact CG-CG2 3.94Å
31Y97.3Very high94.2Very high21 Ų2152.9 Ų52.98%0.08230%0.304CS..Hα-helixtrans-71.5-41178.7178.2-118.5000113.7L27 L28 M29 K51 V53 L63 I65 F166L27-Y31 WeakPolarHBondContact O-CB 3.4Å; L27-Y31 PolarHBondContact O-N 3.11Å; L28-Y31 PolarHBondContact O-N 2.78Å; M29-Y31 VanDerWaalsContact C-N 3.29Å; M29-Y31 PolarHBondContact O-N 3.05Å; Y31-K51 HydrophobicContact CE1-CB 4.11Å; Y31-K51 HydrophobicContact CE1-CG 3.9Å; Y31-V53 WeakPolarHBondContact OH-CG1 3.43Å; Y31-L63 HydrophobicContact CE1-CD2 4.21Å; Y31-I65 HydrophobicContact CD1-CD1 3.9Å; Y31-I65 HydrophobicContact CE1-CD1 3.95Å; Y31-F166 VanDerWaalsContact CB-CE2 3.41Å; Y31-F166 HydrophobicContact CD1-CB 4.08Å; Y31-F166 AromaticContact CD1-CD1 3.84Å; Y31-F166 HydrophobicContact CD1-CD1 3.84Å; Y31-F166 AromaticContact CD1-CD2 3.71Å; Y31-F166 HydrophobicContact CD1-CD2 3.71Å; Y31-F166 HydrophobicContact CD1-CE1 4.16Å; Y31-F166 HydrophobicContact CD1-CE2 4.06Å; Y31-F166 AromaticContact CD1-CG 3.6Å; Y31-F166 HydrophobicContact CD1-CG 3.6Å; Y31-F166 HydrophobicContact CD1-CZ 4.27Å; Y31-F166 HydrophobicContact CD2-CB 3.82Å; Y31-F166 AromaticContact CD2-CD2 3.56Å; Y31-F166 HydrophobicContact CD2-CD2 3.56Å; Y31-F166 HydrophobicContact CD2-CE2 4.36Å; Y31-F166 AromaticContact CD2-CG 3.85Å; Y31-F166 HydrophobicContact CD2-CG 3.85Å; Y31-F166 HydrophobicContact CE1-CB 3.78Å; Y31-F166 AromaticContact CE1-CD1 3.98Å; Y31-F166 HydrophobicContact CE1-CD1 3.98Å; Y31-F166 HydrophobicContact CE1-CD2 4.3Å; Y31-F166 AromaticContact CE1-CG 3.77Å; Y31-F166 HydrophobicContact CE1-CG 3.77Å; Y31-F166 HydrophobicContact CE2-CB 3.51Å; Y31-F166 HydrophobicContact CE2-CD2 4.18Å; Y31-F166 HydrophobicContact CE2-CG 4.02Å; Y31-F166 HydrophobicContact CG-CB 4.1Å; Y31-F166 HydrophobicContact CG-CD1 4.29Å; Y31-F166 AromaticContact CG-CD2 3.28Å; Y31-F166 HydrophobicContact CG-CD2 3.28Å; Y31-F166 AromaticContact CG-CE2 3.7Å; Y31-F166 HydrophobicContact CG-CE2 3.7Å; Y31-F166 AromaticContact CG-CG 3.64Å; Y31-F166 HydrophobicContact CG-CG 3.64Å; Y31-F166 HydrophobicContact CG-CZ 4.34Å; Y31-F166 VanDerWaalsContact CZ-CB 3.47Å; Y31-F166 AromaticContact CZ-CG 3.97Å
32T95.2Very high93.8Very high17 Ų1752.8 Ų52.810%0.10430%0.298CS..Hα-helixtrans-80.6-40.8-174.261.10000112.5L28 M29 K49 K51L28-T32 HydrophobicContact CD1-CG2 3.79Å; L28-T32 HydrophobicContact CG-CG2 4.49Å; L28-T32 WeakPolarHBondContact O-CG2 3.33Å; L28-T32 PolarHBondContact O-N 2.99Å; L28-T32 PolarHBondContact O-OG1 2.9Å; L28-T32 VanDerWaalsContact O-OG1 3.14Å; M29-T32 PolarHBondContact O-N 2.79Å; T32-K49 HydrophobicContact CG2-CB 4.09Å; T32-K49 HydrophobicContact CG2-CG 4.42Å; T32-K51 PolarHBondContact O-NZ 2.94Å
33N94.1Very high93Very high96 Ų9654 Ų5451%0.51331%0.306SS..Hα-helixtrans-120.4-5.7-167.1-58.4-4.5000113.8M29 C35M29-N33 WeakPolarHBondContact O-CB 3.35Å; M29-N33 PolarHBondContact O-N 3.01Å; N33-C35 HydrophobicContact CB-CB 4.42Å; N33-C35 PolarHBondContact O-N 3.47Å; N33-C35 PolarHBondContact O-SG 2.83Å
34D96.1Very high92.1Very high108 Ų10860.1 Ų60.158%0.57834%0.335SS*.SBendtrans53.637.4-171.7-160.526000114.1M29 R30M29-D34 PolarHBondContact O-N 3.4Å; R30-D34 WeakPolarHBondContact CD-OD1 3.27Å; R30-D34 IonicContact CZ-OD1 2.98Å; R30-D34 VanDerWaalsContact NH1-C 3.25Å; R30-D34 PolarHBondContact NH1-O 3.19Å; R30-D34 IonicContact NH1-OD1 2.74Å; R30-D34 PolarHBondContact NH1-OD1 3.03Å; R30-D34 WeakPolarHBondContact O-CA 3.27Å; R30-D34 PolarHBondContact O-N 3.49Å; R30-D34 VanDerWaalsContact O-N 3.07Å
35C95.3Very high91.3Very high63 Ų6360 Ų6043%0.42634%0.336SS..  trans-118154.1177.7-65.30000111.5R30 N33R30-C35 WeakPolarHBondContact CA-O 3.22Å; R30-C35 PolarHBondContact N-O 3.33Å; N33-C35 HydrophobicContact CB-CB 4.42Å; N33-C35 PolarHBondContact O-N 3.47Å; N33-C35 PolarHBondContact O-SG 2.83Å
36F96.3Very high90.6Very high71 Ų7161.6 Ų61.631%0.31135%0.345SS..  trans-139.5132.7170.8175-93.9000110.1A156 K157F36-A156 HydrophobicContact CD2-CB 4.04Å; F36-A156 WeakPolarHBondContact CD2-O 3.49Å; F36-A156 HydrophobicContact CE2-CB 4.2Å; F36-K157 HydrophobicContact CD1-CB 4.35Å; F36-K157 HydrophobicContact CD1-CG 4.1Å; F36-K157 HydrophobicContact CD2-CB 4.26Å; F36-K157 HydrophobicContact CE1-CB 4.01Å; F36-K157 HydrophobicContact CE1-CG 3.72Å; F36-K157 HydrophobicContact CE2-CB 3.89Å; F36-K157 HydrophobicContact CG-CB 4.47Å; F36-K157 HydrophobicContact CZ-CB 3.76Å; F36-K157 HydrophobicContact CZ-CG 3.96Å
37E93.6Very high90.1Very high104 Ų10464 Ų6449%0.48636%0.356SS..  trans-115.9127.8175.2-66.2179-165.400108.7M29 Q39 L40M29-E37 HydrophobicContact CE-CB 4.25Å; M29-E37 HydrophobicContact CE-CG 4.2Å; E37-Q39 VanDerWaalsContact C-N 3.28Å; E37-Q39 PolarHBondContact O-N 3.41Å; E37-L40 HydrophobicContact CB-CD1 4.5Å; E37-L40 WeakPolarHBondContact OE2-CD1 3.42Å
38S88.6Confident89.7Confident106 Ų10668.1 Ų68.174%0.74137%0.374SS*.SBendtrans-70.6-25.1-178.254.30000113.2
39Q86.5Confident89.5Confident176 Ų17671.6 Ų71.682%0.82239%0.39SS*.SBendtrans-126.570-177.3-65.8-175.3-500110.3E37E37-Q39 VanDerWaalsContact C-N 3.28Å; E37-Q39 PolarHBondContact O-N 3.41Å
40L86Confident89.4Confident63 Ų6372.6 Ų72.633%0.3340%0.397SS..PPolyproline II helixtrans-81.3129.6172.9-161.172.7000110.1M29 E37M29-L40 HydrophobicContact CE-CD1 3.6Å; M29-L40 HydrophobicContact CE-CD2 4.08Å; M29-L40 HydrophobicContact CE-CG 4.43Å; M29-L40 HydrophobicContact SD-CD1 4.18Å; E37-L40 HydrophobicContact CB-CD1 4.5Å; E37-L40 WeakPolarHBondContact OE2-CD1 3.42Å
41S84.7Confident89.2Confident107 Ų10774.1 Ų74.175%0.74841%0.405SS*.PPolyproline II helixtrans-59.8148171.3-66.50000111T43S41-T43 PolarHBondContact O-N 2.86Å
42A85.8Confident89.1Confident52 Ų5278.8 Ų78.843%0.4343%0.427SS..PPolyproline II helixtrans-59132.8176.600000110.9I44A42-I44 PolarHBondContact O-N 3.19Å
43T78.6Confident89.1Confident28 Ų2879.2 Ų79.217%0.17243%0.43CS..PPolyproline II helixtrans-58.5126.6174.5-50.10000109.9S25 S41 D47 D67 A69S25-T43 PolarHBondContact OG-OG1 2.51Å; S41-T43 PolarHBondContact O-N 2.86Å; T43-D47 HydrophobicContact CG2-CB 4.39Å; T43-D67 PolarHBondContact OG1-OD2 3.3Å; T43-A69 WeakPolarHBondContact O-CB 3.44Å
44I79.1Confident89Confident137 Ų13779.1 Ų79.170%0.70343%0.433SS*.PPolyproline II helixtrans-96.7117.1173.5-62.9176.9000107.1A42 V46 F74A42-I44 PolarHBondContact O-N 3.19Å; I44-V46 PolarHBondContact O-N 3.26Å; I44-F74 HydrophobicContact CB-CZ 4.27Å; I44-F74 HydrophobicContact CG1-CZ 4.39Å; I44-F74 HydrophobicContact CG2-CE1 3.74Å; I44-F74 HydrophobicContact CG2-CZ 3.74Å
45G78.4Confident88.8Confident7 Ų774.6 Ų74.67%0.07241%0.409CS..SBendtrans70.7-108-177.200000113.1A69G45-A69 WeakPolarHBondContact O-CB 3.31Å; G45-A69 PolarHBondContact O-N 3.33Å
46V81.3Confident88.5Confident49 Ų4978.2 Ų78.230%0.29743%0.431SS..EExtended strand (participates in β ladder)trans-145.7130.3-174.5-172.60000109.7I44 W66 D67 V81I44-V46 PolarHBondContact O-N 3.26Å; V46-W66 HydrophobicContact CG1-CB 4.4Å; V46-W66 HydrophobicContact CG1-CE3 3.79Å; V46-D67 CarbonylContact C-O 3.56Å; V46-D67 VanDerWaalsContact CA-O 3.3Å; V46-D67 WeakPolarHBondContact CA-O 3.49Å; V46-D67 WeakPolarHBondContact CG1-O 3.37Å; V46-V81 HydrophobicContact CG1-CG1 4.4Å; V46-V81 HydrophobicContact CG1-CG2 4.34Å; V46-V81 HydrophobicContact CG2-CG2 3.67Å
47D87Confident88.2Confident67 Ų6779.5 Ų79.536%0.35844%0.442SS..EExtended strand (participates in β ladder)trans-97.9153.3167.8-168.120.5000110.4T43 D67T43-D47 HydrophobicContact CG2-CB 4.39Å; D47-D67 HydrophobicContact CB-CB 4.26Å; D47-D67 PolarHBondContact N-O 3.26Å; D47-D67 PolarHBondContact O-N 3.34Å
48F89Confident88.1Confident88 Ų8876.5 Ų76.539%0.38644%0.438SS..EExtended strand (participates in β ladder)trans-136.2126.2-173.6172.7-100.6000110.9V50 I65 W66F48-V50 HydrophobicContact CE1-CG2 3.57Å; F48-V50 HydrophobicContact CE2-CG2 4.37Å; F48-V50 HydrophobicContact CZ-CG2 3.4Å; F48-V50 VanDerWaalsContact CZ-CG2 3.4Å; F48-I65 WeakPolarHBondContact CA-O 3.48Å; F48-W66 AromaticContact CD2-CD2 3.88Å; F48-W66 HydrophobicContact CD2-CD2 3.88Å; F48-W66 AromaticContact CD2-CE2 3.61Å; F48-W66 HydrophobicContact CD2-CE3 4.35Å; F48-W66 HydrophobicContact CD2-CG 4.27Å; F48-W66 HydrophobicContact CD2-CH2 4.39Å; F48-W66 AromaticContact CD2-CZ2 3.91Å; F48-W66 HydrophobicContact CD2-CZ2 3.91Å; F48-W66 AromaticContact CD2-NE1 3.82Å; F48-W66 HydrophobicContact CE2-CD2 4.48Å; F48-W66 AromaticContact CE2-CE2 3.79Å; F48-W66 AromaticContact CE2-CZ2 3.95Å; F48-W66 HydrophobicContact CE2-CZ2 3.95Å; F48-W66 AromaticContact CE2-NE1 3.72Å
49K93.3Very high88.2Confident76 Ų7673.2 Ų73.233%0.3341%0.414SS..EExtended strand (participates in β ladder)trans-129.3150.8172.8-61.8-68.7-178.9-170.20111.1L28 T32 I65L28-K49 HydrophobicContact CD1-CB 4.05Å; L28-K49 HydrophobicContact CD1-CG 4.19Å; L28-K49 HydrophobicContact CD2-CB 4.19Å; L28-K49 HydrophobicContact CD2-CG 3.71Å; L28-K49 HydrophobicContact CG-CB 4.36Å; L28-K49 HydrophobicContact CG-CG 3.95Å; T32-K49 HydrophobicContact CG2-CB 4.09Å; T32-K49 HydrophobicContact CG2-CG 4.42Å; K49-I65 PolarHBondContact N-O 2.87Å; K49-I65 PolarHBondContact O-N 3.04Å
50V93.7Very high88.5Confident51 Ų5168.7 Ų68.731%0.30939%0.392SS..EExtended strand (participates in β ladder)trans-115130.9171.5175.60000109F48 K62 L63F48-V50 HydrophobicContact CE1-CG2 3.57Å; F48-V50 HydrophobicContact CE2-CG2 4.37Å; F48-V50 HydrophobicContact CZ-CG2 3.4Å; F48-V50 VanDerWaalsContact CZ-CG2 3.4Å; V50-K62 HydrophobicContact CG1-CD 4.25Å; V50-K62 HydrophobicContact CG1-CG 3.58Å; V50-L63 WeakPolarHBondContact CA-O 3.32Å
51K94.2Very high88.9Confident70 Ų7065.8 Ų65.830%0.30438%0.376SS..EExtended strand (participates in β ladder)trans-120.4129.4168.7-168.173.4166.9-172.40108.9Y31 T32 V53 L63Y31-K51 HydrophobicContact CE1-CB 4.11Å; Y31-K51 HydrophobicContact CE1-CG 3.9Å; T32-K51 PolarHBondContact O-NZ 2.94Å; K51-V53 HydrophobicContact CG-CG1 4.03Å; K51-L63 PolarHBondContact N-O 3.31Å; K51-L63 WeakPolarHBondContact O-CB 3.31Å; K51-L63 PolarHBondContact O-N 3.18Å
52H94.3Very high89.4Confident119 Ų11964.5 Ų64.555%0.55136%0.357SS*.EExtended strand (participates in β ladder)trans-85.9126.3169.9-69.4-91.1000108.8I61H52-I61 WeakPolarHBondContact CA-O 3.26Å
53V94.2Very high89.9Confident26 Ų2662 Ų6216%0.15834%0.337CS..EExtended strand (participates in β ladder)trans-128.5150.9178.9-57.40000109.2Y31 K51 I61 V170Y31-V53 WeakPolarHBondContact OH-CG1 3.43Å; K51-V53 HydrophobicContact CG-CG1 4.03Å; V53-I61 HydrophobicContact CG2-CB 3.64Å; V53-I61 HydrophobicContact CG2-CD1 4.38Å; V53-I61 HydrophobicContact CG2-CG2 3.9Å; V53-I61 PolarHBondContact N-O 2.83Å; V53-I61 PolarHBondContact O-N 3.39Å; V53-V170 HydrophobicContact CG2-CG1 3.9Å; V53-V170 HydrophobicContact CG2-CG2 4.08Å
54T92.7Very high90.7Very high94 Ų9461 Ų6158%0.57733%0.331SS*.EExtended strand (participates in β ladder)trans-121124176.2-55.10000107.7T59T54-T59 WeakPolarHBondContact CA-O 3.26Å
55V91.3Very high91.4Very high12 Ų1254.5 Ų54.57%0.07330%0.298CS..  trans-81.1164.8175.1-740000110.6D57 G58 T59 I61 V170 Y174V55-D57 WeakPolarHBondContact CG2-OD1 3.44Å; V55-D57 PolarHBondContact O-N 2.99Å; V55-G58 PolarHBondContact O-N 3.5Å; V55-T59 WeakPolarHBondContact CG2-O 3.44Å; V55-T59 PolarHBondContact N-O 3.39Å; V55-T59 VanDerWaalsContact N-O 3.11Å; V55-I61 HydrophobicContact CB-CD1 4.42Å; V55-I61 HydrophobicContact CG1-CD1 3.49Å; V55-I61 VanDerWaalsContact CG1-CD1 3.49Å; V55-I61 HydrophobicContact CG2-CD1 4.12Å; V55-V170 HydrophobicContact CG1-CG1 3.84Å; V55-Y174 HydrophobicContact CG1-CG 4.37Å; V55-Y174 HydrophobicContact CG2-CD1 4.41Å; V55-Y174 HydrophobicContact CG2-CD2 4.19Å; V55-Y174 HydrophobicContact CG2-CE1 4.15Å; V55-Y174 HydrophobicContact CG2-CE2 3.97Å; V55-Y174 HydrophobicContact CG2-CG 4.43Å
56P90Very high92.2Very high139 Ų13957.6 Ų57.690%0.90331%0.307SS*.THydrogen-bonded Turntrans-55.9-27.9-170.5-30.537.5000116.3G58P56-G58 PolarHBondContact O-N 3.05Å
57D90.3Very high92.7Very high99 Ų9955.2 Ų55.253%0.52929%0.293SS..THydrogen-bonded Turntrans-80.83177.368.213.9000114.3V55 T59 Y174V55-D57 WeakPolarHBondContact CG2-OD1 3.44Å; V55-D57 PolarHBondContact O-N 2.99Å; D57-T59 WeakPolarHBondContact OD1-CB 3.39Å; D57-T59 PolarHBondContact OD1-N 3.16Å; D57-T59 PolarHBondContact OD1-OG1 3.26Å; D57-Y174 PolarHBondContact OD1-OH 3.04Å; D57-Y174 WeakPolarHBondContact OD2-CE1 3.34Å; D57-Y174 VanDerWaalsContact OD2-CZ 3.3Å; D57-Y174 PolarHBondContact OD2-OH 3.46Å
58G91Very high92.6Very high40 Ų4052.6 Ų52.641%0.41228%0.279SS..  trans89.5-2.9-18000000114.4V55 P56 K60V55-G58 PolarHBondContact O-N 3.5Å; P56-G58 PolarHBondContact O-N 3.05Å; G58-K60 PolarHBondContact O-N 3.29Å
59T90.8Very high92.2Very high37 Ų3748.9 Ų48.923%0.22727%0.265CS..  trans-63.7125177.5-57.30000110.8V10 T54 V55 D57 Y174V10-T59 HydrophobicContact CG2-CG2 4.02Å; T54-T59 WeakPolarHBondContact CA-O 3.26Å; V55-T59 WeakPolarHBondContact CG2-O 3.44Å; V55-T59 PolarHBondContact N-O 3.39Å; V55-T59 VanDerWaalsContact N-O 3.11Å; D57-T59 WeakPolarHBondContact OD1-CB 3.39Å; D57-T59 PolarHBondContact OD1-N 3.16Å; D57-T59 PolarHBondContact OD1-OG1 3.26Å; T59-Y174 HydrophobicContact CG2-CE2 4.01Å; T59-Y174 PolarHBondContact OG1-OH 2.76Å
60K93Very high91.1Very high82 Ų8245.8 Ų45.836%0.35725%0.254SS..EExtended strand (participates in β ladder)trans-87.9126177.9-64.3-173.5-173.6167.30110.9E7 L9 V10 G58E7-K60 VanDerWaalsContact CD-CD 3.47Å; E7-K60 VanDerWaalsContact CD-CE 3.47Å; E7-K60 HydrophobicContact CG-CD 4.43Å; E7-K60 WeakPolarHBondContact OE1-CD 3.48Å; E7-K60 WeakPolarHBondContact OE1-CE 3.13Å; E7-K60 IonicContact OE1-NZ 3.98Å; E7-K60 PolarHBondContact OE1-NZ 2.96Å; E7-K60 WeakPolarHBondContact OE2-CD 3.27Å; E7-K60 WeakPolarHBondContact OE2-CE 3.48Å; E7-K60 IonicContact OE2-NZ 3.06Å; E7-K60 PolarHBondContact OE2-NZ 3.07Å; L9-K60 HydrophobicContact CD2-CB 3.41Å; L9-K60 VanDerWaalsContact CD2-CB 3.41Å; L9-K60 HydrophobicContact CD2-CD 4.28Å; L9-K60 HydrophobicContact CD2-CG 4.49Å; V10-K60 PolarHBondContact N-O 3.3Å; G58-K60 PolarHBondContact O-N 3.29Å
61I94.1Very high89.8Confident1 Ų144.9 Ų44.91%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-116131.8-177.3-62.6164.4000109V10 F12 H52 V53 V55 V170 Y174V10-I61 HydrophobicContact CB-CG1 4.46Å; V10-I61 CarbonylContact O-C 3.57Å; V10-I61 VanDerWaalsContact O-CA 3.31Å; V10-I61 WeakPolarHBondContact O-CA 3.28Å; F12-I61 HydrophobicContact CB-CG2 4.14Å; F12-I61 HydrophobicContact CD1-CG2 4.4Å; F12-I61 HydrophobicContact CD2-CD1 4.23Å; F12-I61 HydrophobicContact CD2-CG2 3.55Å; F12-I61 HydrophobicContact CE2-CD1 3.61Å; F12-I61 HydrophobicContact CE2-CG1 4.26Å; F12-I61 HydrophobicContact CE2-CG2 4Å; F12-I61 HydrophobicContact CG-CG2 3.76Å; F12-I61 HydrophobicContact CZ-CD1 4.03Å; F12-I61 HydrophobicContact CZ-CG1 4.41Å; H52-I61 WeakPolarHBondContact CA-O 3.26Å; V53-I61 HydrophobicContact CG2-CB 3.64Å; V53-I61 HydrophobicContact CG2-CD1 4.38Å; V53-I61 HydrophobicContact CG2-CG2 3.9Å; V53-I61 PolarHBondContact N-O 2.83Å; V53-I61 PolarHBondContact O-N 3.39Å; V55-I61 HydrophobicContact CB-CD1 4.42Å; V55-I61 HydrophobicContact CG1-CD1 3.49Å; V55-I61 VanDerWaalsContact CG1-CD1 3.49Å; V55-I61 HydrophobicContact CG2-CD1 4.12Å; I61-V170 HydrophobicContact CD1-CG1 3.66Å; I61-Y174 HydrophobicContact CD1-CD2 4.09Å
62K94.8Very high88.2Confident80 Ų8047 Ų4735%0.34826%0.258SS..EExtended strand (participates in β ladder)trans-93.299.7166.1-177.5-177.9176.8-1800107.9L9 V10 N11 F12 V50 S64L9-K62 HydrophobicContact CB-CB 4.47Å; V10-K62 PolarHBondContact O-N 3.32Å; N11-K62 WeakPolarHBondContact CA-O 3.31Å; N11-K62 PolarHBondContact ND2-O 2.72Å; F12-K62 PolarHBondContact N-O 3.06Å; V50-K62 HydrophobicContact CG1-CD 4.25Å; V50-K62 HydrophobicContact CG1-CG 3.58Å; K62-S64 PolarHBondContact O-N 3.03Å
63L95.9Very high86.6Confident0 Ų049.9 Ų49.90%026%0.264CS..EExtended strand (participates in β ladder)trans-85.4108.3176.3-177.865.9000109.7F12 L14 Y31 V50 K51 I65 V170F12-L63 HydrophobicContact CB-CD1 3.84Å; L14-L63 HydrophobicContact CB-CD1 4.08Å; Y31-L63 HydrophobicContact CE1-CD2 4.21Å; V50-L63 WeakPolarHBondContact CA-O 3.32Å; K51-L63 PolarHBondContact N-O 3.31Å; K51-L63 WeakPolarHBondContact O-CB 3.31Å; K51-L63 PolarHBondContact O-N 3.18Å; L63-I65 HydrophobicContact CD2-CD1 3.88Å; L63-I65 HydrophobicContact CD2-CG1 3.98Å; L63-I65 HydrophobicContact CG-CD1 4.22Å; L63-I65 HydrophobicContact CG-CG1 3.78Å; L63-V170 HydrophobicContact CD1-CG2 4.35Å; L63-V170 HydrophobicContact CD2-CG2 3.85Å
64S95.4Very high85.1Confident8 Ų851.1 Ų51.16%0.05627%0.267CS..EExtended strand (participates in β ladder)trans-89.3111173-69.50000109.4N11 F12 K13 L14 K62N11-S64 PolarHBondContact ND2-OG 2.7Å; N11-S64 VanDerWaalsContact ND2-OG 3.11Å; F12-S64 WeakPolarHBondContact O-CB 3Å; F12-S64 PolarHBondContact O-N 2.65Å; K13-S64 WeakPolarHBondContact CA-O 3.34Å; L14-S64 PolarHBondContact N-O 3Å; K62-S64 PolarHBondContact O-N 3.03Å
65I95.8Very high83.5Confident0 Ų051.6 Ų51.60%026%0.259CS..EExtended strand (participates in β ladder)trans-108.1126.2-177.9-46.9170.9000109.1L14 L16 L28 Y31 F48 K49 L63 F166L14-I65 HydrophobicContact CD2-CG1 4.27Å; L14-I65 HydrophobicContact CD2-CG2 4.08Å; L14-I65 HydrophobicContact CG-CG2 4.22Å; L14-I65 WeakPolarHBondContact O-CA 3.32Å; L16-I65 HydrophobicContact CD1-CG2 4.15Å; L16-I65 HydrophobicContact CD2-CG2 4.43Å; L16-I65 HydrophobicContact CG-CG2 4.02Å; L28-I65 HydrophobicContact CD1-CB 3.84Å; L28-I65 HydrophobicContact CD1-CD1 3.66Å; L28-I65 HydrophobicContact CD1-CG1 4.35Å; L28-I65 HydrophobicContact CD1-CG2 3.73Å; Y31-I65 HydrophobicContact CD1-CD1 3.9Å; Y31-I65 HydrophobicContact CE1-CD1 3.95Å; F48-I65 WeakPolarHBondContact CA-O 3.48Å; K49-I65 PolarHBondContact N-O 2.87Å; K49-I65 PolarHBondContact O-N 3.04Å; L63-I65 HydrophobicContact CD2-CD1 3.88Å; L63-I65 HydrophobicContact CD2-CG1 3.98Å; L63-I65 HydrophobicContact CG-CD1 4.22Å; L63-I65 HydrophobicContact CG-CG1 3.78Å; I65-F166 HydrophobicContact CD1-CD1 4.12Å; I65-F166 HydrophobicContact CD1-CE1 3.91Å; I65-F166 HydrophobicContact CG2-CE1 4.45Å
66W94.2Very high81.7Confident71 Ų7157 Ų5727%0.26929%0.292SS..EExtended strand (participates in β ladder)trans-109.9112.3-179.9-62.874.2000108.9L14 L15 L16 V46 F48 V81L14-W66 PolarHBondContact O-N 3.47Å; L15-W66 HydrophobicContact CD2-CB 3.75Å; L15-W66 HydrophobicContact CD2-CG 4.17Å; L16-W66 PolarHBondContact N-O 3.44Å; V46-W66 HydrophobicContact CG1-CB 4.4Å; V46-W66 HydrophobicContact CG1-CE3 3.79Å; F48-W66 AromaticContact CD2-CD2 3.88Å; F48-W66 HydrophobicContact CD2-CD2 3.88Å; F48-W66 AromaticContact CD2-CE2 3.61Å; F48-W66 HydrophobicContact CD2-CE3 4.35Å; F48-W66 HydrophobicContact CD2-CG 4.27Å; F48-W66 HydrophobicContact CD2-CH2 4.39Å; F48-W66 AromaticContact CD2-CZ2 3.91Å; F48-W66 HydrophobicContact CD2-CZ2 3.91Å; F48-W66 AromaticContact CD2-NE1 3.82Å; F48-W66 HydrophobicContact CE2-CD2 4.48Å; F48-W66 AromaticContact CE2-CE2 3.79Å; F48-W66 AromaticContact CE2-CZ2 3.95Å; F48-W66 HydrophobicContact CE2-CZ2 3.95Å; F48-W66 AromaticContact CE2-NE1 3.72Å; W66-V81 HydrophobicContact CB-CG1 4.1Å; W66-V81 HydrophobicContact CD2-CG1 4.44Å; W66-V81 HydrophobicContact CE3-CG1 4.15Å; W66-V81 HydrophobicContact CE3-CG2 4.46Å; W66-V81 HydrophobicContact CG-CG1 4.46Å
67D91.7Very high80.2Confident0 Ų054.9 Ų54.90%027%0.272CS..EExtended strand (participates in β ladder)trans-93110.7176.2176.142.1000109.8L16 K24 S25 L28 T43 V46 D47L16-D67 HydrophobicContact CD1-CB 4.48Å; K24-D67 WeakPolarHBondContact CB-OD1 3.38Å; S25-D67 WeakPolarHBondContact CA-OD2 3.36Å; S25-D67 VanDerWaalsContact CB-OD2 3.23Å; S25-D67 WeakPolarHBondContact CB-OD2 3.38Å; S25-D67 PolarHBondContact N-OD1 3.23Å; S25-D67 PolarHBondContact OG-OD2 2.9Å; L28-D67 HydrophobicContact CD2-CB 3.72Å; T43-D67 PolarHBondContact OG1-OD2 3.3Å; V46-D67 CarbonylContact C-O 3.56Å; V46-D67 VanDerWaalsContact CA-O 3.3Å; V46-D67 WeakPolarHBondContact CA-O 3.49Å; V46-D67 WeakPolarHBondContact CG1-O 3.37Å; D47-D67 HydrophobicContact CB-CB 4.26Å; D47-D67 PolarHBondContact N-O 3.26Å; D47-D67 PolarHBondContact O-N 3.34Å
68T85.4Confident79.1Confident11 Ų1150.8 Ų50.87%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-86.5142.9-176.163.20000111.6L16 K24 G70 V81L16-T68 WeakPolarHBondContact O-CG2 3.4Å; L16-T68 PolarHBondContact O-N 2.85Å; L16-T68 PolarHBondContact O-OG1 2.99Å; K24-T68 WeakPolarHBondContact CE-O 3.41Å; K24-T68 PolarHBondContact NZ-O 3.48Å; T68-G70 PolarHBondContact O-N 2.89Å; T68-V81 HydrophobicContact CG2-CG1 4.01Å
69A79.3Confident78.4Confident10 Ų1051.2 Ų51.28%0.08325%0.246CC..  trans-63.1128.6164.900000109.2T43 G45 Q71 F74T43-A69 WeakPolarHBondContact O-CB 3.44Å; G45-A69 WeakPolarHBondContact O-CB 3.31Å; G45-A69 PolarHBondContact O-N 3.33Å; A69-Q71 PolarHBondContact O-N 3.31Å; A69-F74 HydrophobicContact CB-CB 3.98Å; A69-F74 HydrophobicContact CB-CD2 3.64Å; A69-F74 HydrophobicContact CB-CG 4.08Å
70G70.5Confident78Confident11 Ų1155.2 Ų55.211%0.11327%0.266CS..  trans-84.715.917700000113.8G18 S20 T68G18-G70 VanDerWaalsContact O-CA 3.25Å; G18-G70 WeakPolarHBondContact O-CA 3.46Å; S20-G70 PolarHBondContact N-O 3.49Å; T68-G70 PolarHBondContact O-N 2.89Å
71Q67.2Low77.6Confident33 Ų3351.7 Ų51.715%0.15425%0.252CS..SBendtrans-100.1135.1177.7-69-17866.100110A69 R73 F74A69-Q71 PolarHBondContact O-N 3.31Å; Q71-R73 PolarHBondContact O-N 3.42Å; Q71-R73 VanDerWaalsContact O-N 3.16Å; Q71-F74 HydrophobicContact CB-CD2 3.98Å; Q71-F74 HydrophobicContact CB-CE2 4.34Å; Q71-F74 PolarHBondContact O-N 2.94Å; Q71-F74 VanDerWaalsContact O-N 3.08Å
72E61.1Low77.4Confident114 Ų11451.8 Ų51.853%0.53325%0.252SS..G310 helixtrans-50.9-36.717668.5-60.2144.700113.1F74 R75E72-F74 PolarHBondContact O-N 2.93Å; E72-F74 VanDerWaalsContact O-N 3.09Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 WeakPolarHBondContact O-CG 3.43Å; E72-R75 PolarHBondContact O-N 3.45Å; E72-R75 VanDerWaalsContact O-N 3.08Å
73R60.3Low77.1Confident179 Ų17954.6 Ų54.668%0.67526%0.261SS*.G310 helixtrans-59.8-21.6179.8-72.7-176.7-64.9-172.41.5114.3Q71Q71-R73 PolarHBondContact O-N 3.42Å; Q71-R73 VanDerWaalsContact O-N 3.16Å
74F62Low76.8Confident53 Ų5356.3 Ų56.323%0.23228%0.278CS..G310 helixtrans-102.24.5-179.7-59.4-66.3000113.8I44 A69 Q71 E72 T76 L77I44-F74 HydrophobicContact CB-CZ 4.27Å; I44-F74 HydrophobicContact CG1-CZ 4.39Å; I44-F74 HydrophobicContact CG2-CE1 3.74Å; I44-F74 HydrophobicContact CG2-CZ 3.74Å; A69-F74 HydrophobicContact CB-CB 3.98Å; A69-F74 HydrophobicContact CB-CD2 3.64Å; A69-F74 HydrophobicContact CB-CG 4.08Å; Q71-F74 HydrophobicContact CB-CD2 3.98Å; Q71-F74 HydrophobicContact CB-CE2 4.34Å; Q71-F74 PolarHBondContact O-N 2.94Å; Q71-F74 VanDerWaalsContact O-N 3.08Å; E72-F74 PolarHBondContact O-N 2.93Å; E72-F74 VanDerWaalsContact O-N 3.09Å; F74-T76 PolarHBondContact O-N 2.94Å; F74-L77 PolarHBondContact O-N 3.47Å; F74-L77 VanDerWaalsContact O-N 3.09Å
75R59.2Low76.7Confident104 Ų10456 Ų5639%0.39228%0.276SS..G310 helixtrans-60.1-12.2179.1-77.6-178.1172.1158.810114.6E72 L77 T78 E109E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 WeakPolarHBondContact O-CG 3.43Å; E72-R75 PolarHBondContact O-N 3.45Å; E72-R75 VanDerWaalsContact O-N 3.08Å; R75-L77 VanDerWaalsContact C-N 3.34Å; R75-T78 VanDerWaalsContact C-OG1 3.24Å; R75-T78 VanDerWaalsContact CA-OG1 3.22Å; R75-T78 WeakPolarHBondContact CA-OG1 3.2Å; R75-T78 WeakPolarHBondContact O-CB 3.41Å; R75-T78 PolarHBondContact O-N 3.33Å; R75-T78 PolarHBondContact O-OG1 3.35Å; R75-E109 WeakPolarHBondContact CD-OE2 3.28Å; R75-E109 IonicContact CZ-OE2 3.18Å; R75-E109 IonicContact NE-OE2 3.87Å; R75-E109 PolarHBondContact NE-OE2 3.21Å; R75-E109 IonicContact NH2-OE2 2.84Å
76T53.7Low76.7Confident126 Ų12657.3 Ų57.377%0.77328%0.282SS*.G310 helixtrans-74.6-22175.850.60000113.4F74 T78F74-T76 PolarHBondContact O-N 2.94Å; T76-T78 PolarHBondContact O-N 3.36Å
77L58.8Low76.8Confident93 Ų9353.9 Ų53.949%0.48727%0.269SS..G310 helixtrans-80.6-9.2176-64.1172.8000112.7F74 R75 V81F74-L77 PolarHBondContact O-N 3.47Å; F74-L77 VanDerWaalsContact O-N 3.09Å; R75-L77 VanDerWaalsContact C-N 3.34Å; L77-V81 WeakPolarHBondContact O-CG2 3.4Å
78T66.4Low77.1Confident13 Ų1353.9 Ų53.98%0.0827%0.269CS..Hα-helixtrans-62.1-45.5-166.7-62.20000115.4R75 T76 N80 V81 Y82 E109 Y113R75-T78 VanDerWaalsContact C-OG1 3.24Å; R75-T78 VanDerWaalsContact CA-OG1 3.22Å; R75-T78 WeakPolarHBondContact CA-OG1 3.2Å; R75-T78 WeakPolarHBondContact O-CB 3.41Å; R75-T78 PolarHBondContact O-N 3.33Å; R75-T78 PolarHBondContact O-OG1 3.35Å; T76-T78 PolarHBondContact O-N 3.36Å; T78-N80 PolarHBondContact O-N 2.91Å; T78-V81 PolarHBondContact O-N 3Å; T78-V81 VanDerWaalsContact O-N 3.11Å; T78-Y82 HydrophobicContact CG2-CD2 3.54Å; T78-Y82 HydrophobicContact CG2-CE2 3.16Å; T78-Y82 HydrophobicContact CG2-CG 4.35Å; T78-Y82 WeakPolarHBondContact O-CD2 3.35Å; T78-Y82 PolarHBondContact O-N 2.9Å; T78-E109 HydrophobicContact CG2-CG 4.07Å; T78-E109 WeakPolarHBondContact CG2-OE1 3.47Å; T78-Y113 HydrophobicContact CG2-CD2 3.35Å; T78-Y113 HydrophobicContact CG2-CE2 3.65Å; T78-Y113 HydrophobicContact CG2-CG 4.13Å
79P77.3Confident77.7Confident49 Ų4953.4 Ų53.432%0.31827%0.266SS..Hα-helixtrans-61.2-40.7-168.2-24.633.5000114.6V81 Y82 R83 Y113P79-V81 VanDerWaalsContact C-N 3.33Å; P79-V81 PolarHBondContact O-N 3.22Å; P79-Y82 PolarHBondContact O-N 3.07Å; P79-R83 PolarHBondContact O-N 3.27Å; P79-Y113 HydrophobicContact CB-CD1 3.96Å; P79-Y113 HydrophobicContact CB-CE1 4.46Å; P79-Y113 HydrophobicContact CG-CD1 3.75Å; P79-Y113 HydrophobicContact CG-CE1 3.78Å; P79-Y113 HydrophobicContact CG-CG 4.43Å
80N81.8Confident78.5Confident122 Ų12253 Ų5365%0.65226%0.262SS*.Hα-helixtrans-72.7-28.5-178.7-72.2-25.1000112.8K13 T78K13-N80 PolarHBondContact NZ-O 3.42Å; T78-N80 PolarHBondContact O-N 2.91Å
81V85.7Confident79.8Confident8 Ų852.4 Ų52.45%0.04826%0.257CS..Hα-helixtrans-68.7-41.7176.5179.80000109.3K13 L15 V46 W66 T68 L77 T78 P79 S85K13-V81 WeakPolarHBondContact CE-O 3.48Å; K13-V81 PolarHBondContact NZ-O 3.11Å; L15-V81 HydrophobicContact CD2-CG1 3.69Å; L15-V81 WeakPolarHBondContact CD2-O 3.39Å; V46-V81 HydrophobicContact CG1-CG1 4.4Å; V46-V81 HydrophobicContact CG1-CG2 4.34Å; V46-V81 HydrophobicContact CG2-CG2 3.67Å; W66-V81 HydrophobicContact CB-CG1 4.1Å; W66-V81 HydrophobicContact CD2-CG1 4.44Å; W66-V81 HydrophobicContact CE3-CG1 4.15Å; W66-V81 HydrophobicContact CE3-CG2 4.46Å; W66-V81 HydrophobicContact CG-CG1 4.46Å; T68-V81 HydrophobicContact CG2-CG1 4.01Å; L77-V81 WeakPolarHBondContact O-CG2 3.4Å; T78-V81 PolarHBondContact O-N 3Å; T78-V81 VanDerWaalsContact O-N 3.11Å; P79-V81 VanDerWaalsContact C-N 3.33Å; P79-V81 PolarHBondContact O-N 3.22Å; V81-S85 PolarHBondContact O-OG 3.3Å
82Y89.1Confident81.3Confident2 Ų250.9 Ų50.91%0.00825%0.249CC..Hα-helixtrans-71.9-40.3-173.8-78.2-120.8000112.5L15 I17 T78 P79 G84 S85 E109 L110L15-Y82 HydrophobicContact CD1-CD1 4.14Å; L15-Y82 HydrophobicContact CD1-CD2 4.34Å; L15-Y82 HydrophobicContact CD1-CG 4.05Å; I17-Y82 HydrophobicContact CD1-CE1 3.69Å; T78-Y82 HydrophobicContact CG2-CD2 3.54Å; T78-Y82 HydrophobicContact CG2-CE2 3.16Å; T78-Y82 HydrophobicContact CG2-CG 4.35Å; T78-Y82 WeakPolarHBondContact O-CD2 3.35Å; T78-Y82 PolarHBondContact O-N 2.9Å; P79-Y82 PolarHBondContact O-N 3.07Å; Y82-G84 PolarHBondContact O-N 2.85Å; Y82-S85 VanDerWaalsContact O-CB 3.29Å; Y82-S85 WeakPolarHBondContact O-CB 3.2Å; Y82-S85 PolarHBondContact O-N 3.34Å; Y82-S85 PolarHBondContact O-OG 2.92Å; Y82-E109 PolarHBondContact OH-OE1 3.3Å; Y82-L110 HydrophobicContact CD1-CB 4.3Å; Y82-L110 HydrophobicContact CD1-CD1 3.37Å; Y82-L110 HydrophobicContact CD1-CG 4.37Å; Y82-L110 VanDerWaalsContact CE1-CA 3.47Å; Y82-L110 HydrophobicContact CE1-CB 3.89Å; Y82-L110 HydrophobicContact CE1-CD1 3.56Å; Y82-L110 HydrophobicContact CE1-CG 4.33Å
83R88.8Confident83.1Confident140 Ų14046 Ų4653%0.52823%0.227SC..THydrogen-bonded Turntrans-52133.7-178.7-170.9179.1-86.8121.2-1.6113.7K13 P79 S85 D115K13-R83 PolarHBondContact NZ-O 3.16Å; P79-R83 PolarHBondContact O-N 3.27Å; R83-S85 PolarHBondContact O-N 3.33Å; R83-D115 WeakPolarHBondContact CA-OD1 3.48Å; R83-D115 WeakPolarHBondContact CG-OD2 3.17Å
84G89.8Confident84.9Confident36 Ų3637.4 Ų37.437%0.37119%0.194SC..THydrogen-bonded Turntrans69.214.6175.700000114.5Y82 H86 D115Y82-G84 PolarHBondContact O-N 2.85Å; G84-H86 PolarHBondContact O-ND1 3.36Å; G84-D115 PolarHBondContact N-OD1 3.21Å
85S93.6Very high86.6Confident0 Ų035.8 Ų35.80%019%0.19CC..  trans-74.5138175.8-56.40000110.4K13 L15 V81 Y82 R83 N116 M119K13-S85 VanDerWaalsContact CE-OG 3.27Å; K13-S85 WeakPolarHBondContact CE-OG 3.39Å; L15-S85 WeakPolarHBondContact CD1-OG 3.44Å; L15-S85 WeakPolarHBondContact CD2-OG 3.35Å; L15-S85 VanDerWaalsContact CG-OG 3.3Å; L15-S85 WeakPolarHBondContact CG-OG 3.28Å; V81-S85 PolarHBondContact O-OG 3.3Å; Y82-S85 VanDerWaalsContact O-CB 3.29Å; Y82-S85 WeakPolarHBondContact O-CB 3.2Å; Y82-S85 PolarHBondContact O-N 3.34Å; Y82-S85 PolarHBondContact O-OG 2.92Å; R83-S85 PolarHBondContact O-N 3.33Å; S85-N116 PolarHBondContact O-ND2 2.88Å; S85-M119 WeakPolarHBondContact O-CE 2.99Å
86H95.4Very high88.5Confident28 Ų2833.4 Ų33.413%0.1319%0.185CC..SBendtrans-92.9-29.4-179.7-57.279000110.8N11 K13 G84 I120 I173 L179N11-H86 PolarHBondContact O-CE1 3.27Å; K13-H86 PolarHBondContact N-ND1 2.76Å; K13-H86 PolarHBondContact O-N 2.98Å; G84-H86 PolarHBondContact O-ND1 3.36Å; H86-I120 PolarHBondContact O-N 2.85Å; H86-I173 HydrophobicContact CB-CD1 4Å; H86-I173 HydrophobicContact CB-CG1 4.15Å; H86-I173 HydrophobicContact CB-CG2 3.77Å; H86-L179 PolarHBondContact CD2-O 3.23Å; H86-L179 PolarHBondContact NE2-O 3.35Å
87A96.8Very high90.6Very high0 Ų030.4 Ų30.40%016%0.159CC..EExtended strand (participates in β ladder)trans-143.4156.3173.300000113K13 L14 L15 I120 V169 I173K13-A87 PolarHBondContact O-N 3.35Å; L14-A87 WeakPolarHBondContact CA-O 3.35Å; L14-A87 HydrophobicContact CD1-CB 3.94Å; L15-A87 PolarHBondContact N-O 3.3Å; A87-I120 CarbonylContact C-O 3.45Å; A87-I120 WeakPolarHBondContact CA-O 3.42Å; A87-I120 HydrophobicContact CB-CB 4.05Å; A87-I120 WeakPolarHBondContact CB-O 3.08Å; A87-V169 HydrophobicContact CB-CG1 3.86Å; A87-I173 HydrophobicContact CB-CD1 3.7Å; A87-I173 HydrophobicContact CB-CG1 3.93Å
88A96.3Very high92.4Very high0 Ų031.4 Ų31.40%016%0.162CC..EExtended strand (participates in β ladder)trans-129.3135.5167.300000110.2L15 I17 F90 L110 M119 I120 K121 L122L15-A88 HydrophobicContact CB-CB 4.23Å; L15-A88 CarbonylContact O-C 3.55Å; L15-A88 WeakPolarHBondContact O-CA 3.27Å; I17-A88 HydrophobicContact CD1-CB 3.96Å; A88-F90 HydrophobicContact CB-CE2 4.22Å; A88-L110 HydrophobicContact CB-CD1 4.34Å; A88-L110 HydrophobicContact CB-CD2 4.04Å; A88-M119 HydrophobicContact CB-SD 3.63Å; A88-I120 PolarHBondContact N-O 2.99Å; A88-K121 WeakPolarHBondContact O-CA 3.46Å; A88-L122 PolarHBondContact O-N 3Å
89V97.8Very high93.9Very high0 Ų030.8 Ų30.80%016%0.158CC..EExtended strand (participates in β ladder)trans-109.8114.3172.5170.40000107.9L14 L15 L16 I17 V91 L122 V124 L165 V169L14-V89 HydrophobicContact CD1-CB 4.34Å; L14-V89 HydrophobicContact CD1-CG2 3.73Å; L15-V89 PolarHBondContact O-N 2.96Å; L16-V89 HydrophobicContact CD2-CB 3.94Å; L16-V89 HydrophobicContact CD2-CG1 4.3Å; I17-V89 PolarHBondContact N-O 3.45Å; V89-V91 HydrophobicContact CG1-CG2 3.83Å; V89-L122 HydrophobicContact CG2-CB 4.3Å; V89-L122 HydrophobicContact CG2-CD1 4.33Å; V89-V124 HydrophobicContact CG1-CB 4.18Å; V89-V124 HydrophobicContact CG1-CG2 3.51Å; V89-L165 HydrophobicContact CG1-CD1 4.35Å; V89-L165 HydrophobicContact CG1-CD2 4.36Å; V89-L165 HydrophobicContact CG2-CD1 4.31Å; V89-V169 HydrophobicContact CG2-CG2 3.72Å
90F97.3Very high94.9Very high1 Ų129.1 Ų29.10%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-85.1117.7174.1-69.8-93.2000109.1I17 A88 L103 W106 M107 L110 K121 L122 L123 V124 M149I17-F90 HydrophobicContact CB-CD1 4.38Å; I17-F90 HydrophobicContact CG2-CD1 4.25Å; I17-F90 HydrophobicContact CG2-CE1 4.18Å; I17-F90 CarbonylContact O-C 3.58Å; I17-F90 WeakPolarHBondContact O-CA 3.45Å; A88-F90 HydrophobicContact CB-CE2 4.22Å; F90-L103 HydrophobicContact CB-CD2 4.02Å; F90-L103 HydrophobicContact CD1-CD2 4.41Å; F90-W106 HydrophobicContact CD1-CB 4.05Å; F90-W106 HydrophobicContact CE1-CB 3.86Å; F90-M107 HydrophobicContact CD1-CG 4.32Å; F90-M107 HydrophobicContact CE1-CB 4.46Å; F90-M107 HydrophobicContact CE1-CG 3.66Å; F90-M107 HydrophobicContact CE2-CG 4.47Å; F90-M107 HydrophobicContact CZ-CG 3.73Å; F90-L110 HydrophobicContact CE2-CD2 3.74Å; F90-L110 HydrophobicContact CZ-CB 4.14Å; F90-L110 HydrophobicContact CZ-CD2 3.44Å; F90-L110 VanDerWaalsContact CZ-CD2 3.44Å; F90-L110 HydrophobicContact CZ-CG 4.39Å; F90-K121 HydrophobicContact CE2-CB 4.23Å; F90-K121 HydrophobicContact CE2-CD 4.5Å; F90-K121 HydrophobicContact CE2-CG 4.19Å; F90-L122 PolarHBondContact N-O 3.43Å; F90-L123 HydrophobicContact CB-CD1 4.12Å; F90-L123 CarbonylContact O-C 3.46Å; F90-V124 PolarHBondContact O-N 3.03Å; F90-M149 HydrophobicContact CD2-SD 4.02Å; F90-M149 HydrophobicContact CE2-SD 4.28Å
91V98.1Very high95.6Very high0 Ų027.5 Ų27.50%014%0.137CC..EExtended strand (participates in β ladder)trans-111.7128.4-176.6-170.20000109.2I17 V22 K24 L27 V89 V124 N126I17-V91 PolarHBondContact O-N 3.49Å; V22-V91 HydrophobicContact CB-CG1 4.32Å; V22-V91 HydrophobicContact CG2-CB 3.95Å; V22-V91 HydrophobicContact CG2-CG1 3.85Å; V22-V91 WeakPolarHBondContact CG2-O 3.22Å; K24-V91 HydrophobicContact CG-CB 4.03Å; K24-V91 HydrophobicContact CG-CG2 4.1Å; L27-V91 HydrophobicContact CD1-CG1 3.95Å; L27-V91 HydrophobicContact CD1-CG2 4.17Å; V89-V91 HydrophobicContact CG1-CG2 3.83Å; V91-V124 WeakPolarHBondContact CA-O 3.36Å; V91-N126 HydrophobicContact CG1-CB 3.78Å
92F98.3Very high96.1Very high0 Ų030.3 Ų30.30%015%0.149CC..EExtended strand (participates in β ladder)trans-122.9163.7165.470.2-85.6000109.7V94 F100 L103 L123 V124 N126 I135 Y151F92-V94 HydrophobicContact CE2-CG1 4.01Å; F92-F100 HydrophobicContact CB-CB 4.42Å; F92-F100 AromaticContact CD1-CD2 3.94Å; F92-F100 HydrophobicContact CD1-CD2 3.94Å; F92-F100 HydrophobicContact CD2-CB 4.01Å; F92-F100 AromaticContact CD2-CD2 3.76Å; F92-F100 HydrophobicContact CD2-CD2 3.76Å; F92-F100 HydrophobicContact CD2-CG 4.36Å; F92-F100 AromaticContact CE1-CD2 3.85Å; F92-F100 HydrophobicContact CE1-CD2 3.85Å; F92-F100 HydrophobicContact CE1-CE2 4.12Å; F92-F100 AromaticContact CE2-CD2 3.68Å; F92-F100 HydrophobicContact CE2-CD2 3.68Å; F92-F100 HydrophobicContact CE2-CE2 4.35Å; F92-F100 HydrophobicContact CG-CB 4.3Å; F92-F100 AromaticContact CG-CD2 3.88Å; F92-F100 HydrophobicContact CG-CD2 3.88Å; F92-F100 AromaticContact CZ-CD2 3.72Å; F92-F100 HydrophobicContact CZ-CD2 3.72Å; F92-F100 AromaticContact CZ-CE2 3.99Å; F92-F100 HydrophobicContact CZ-CE2 3.99Å; F92-L103 HydrophobicContact CB-CD1 4.37Å; F92-L103 HydrophobicContact CB-CD2 4.45Å; F92-L103 HydrophobicContact CD1-CD1 3.92Å; F92-L103 HydrophobicContact CG-CD1 4.35Å; F92-L123 HydrophobicContact CD1-CD1 3.83Å; F92-L123 HydrophobicContact CD1-CG 4.37Å; F92-L123 HydrophobicContact CE1-CD1 3.9Å; F92-L123 HydrophobicContact CE1-CD2 4.21Å; F92-L123 HydrophobicContact CE1-CG 3.95Å; F92-V124 WeakPolarHBondContact CD1-O 3.42Å; F92-V124 PolarHBondContact N-O 3.3Å; F92-N126 PolarHBondContact O-N 3.46Å; F92-I135 HydrophobicContact CD2-CD1 4.3Å; F92-I135 HydrophobicContact CE2-CB 4.11Å; F92-I135 HydrophobicContact CE2-CD1 4.35Å; F92-I135 HydrophobicContact CE2-CG1 4.41Å; F92-I135 HydrophobicContact CE2-CG2 3.96Å; F92-I135 HydrophobicContact CZ-CG2 4.42Å; F92-Y151 AromaticContact CE1-CE2 3.83Å; F92-Y151 HydrophobicContact CE1-CE2 3.83Å; F92-Y151 AromaticContact CZ-CE2 3.95Å; F92-Y151 HydrophobicContact CZ-CE2 3.95Å
93D98.3Very high96.4Very high11 Ų1130.2 Ų30.26%0.05915%0.149CC..EExtended strand (participates in β ladder)trans-96.5122.4175.1176.3-10.3000109V22 S95 N96 S99 K127 I135V22-D93 HydrophobicContact CB-CB 4.3Å; V22-D93 HydrophobicContact CG1-CB 4.28Å; D93-S95 PolarHBondContact O-N 3.13Å; D93-S95 WeakPolarHBondContact OD1-CA 3.46Å; D93-S95 WeakPolarHBondContact OD1-CB 3.4Å; D93-S95 PolarHBondContact OD1-N 3.06Å; D93-S95 PolarHBondContact OD1-OG 3.46Å; D93-S95 PolarHBondContact OD2-OG 3.31Å; D93-N96 HydrophobicContact CB-CB 4.03Å; D93-N96 PolarHBondContact O-N 2.97Å; D93-S99 PolarHBondContact N-OG 3.35Å; D93-S99 PolarHBondContact O-OG 3.08Å; D93-K127 HydrophobicContact CB-CD 4.5Å; D93-K127 VanDerWaalsContact OD2-CD 3.28Å; D93-K127 WeakPolarHBondContact OD2-CD 3.29Å; D93-K127 WeakPolarHBondContact OD2-CE 3.18Å; D93-K127 IonicContact OD2-NZ 3.43Å; D93-K127 PolarHBondContact OD2-NZ 3.1Å; D93-I135 VanDerWaalsContact O-CD1 3.29Å; D93-I135 WeakPolarHBondContact O-CD1 3.39Å
94V98.7Very high96.6Very high0 Ų026.6 Ų26.60%014%0.14CC..THydrogen-bonded Turntrans-63.6-12.7-178.3-57.90000113.6F92 N126 K127 I128 R133 E134 I135F92-V94 HydrophobicContact CE2-CG1 4.01Å; V94-N126 WeakPolarHBondContact CG2-O 3.3Å; V94-N126 PolarHBondContact N-O 3.49Å; V94-K127 WeakPolarHBondContact CG2-O 3.46Å; V94-I128 HydrophobicContact CG1-CG2 4.11Å; V94-I128 HydrophobicContact CG2-CG2 4.31Å; V94-R133 HydrophobicContact CB-CG 4.31Å; V94-R133 HydrophobicContact CG2-CG 4.42Å; V94-R133 CarbonylContact O-C 3.59Å; V94-E134 PolarHBondContact O-N 2.78Å; V94-I135 WeakPolarHBondContact O-CD1 3.3Å; V94-I135 PolarHBondContact O-N 3Å
95S98.4Very high96.7Very high19 Ų1928 Ų2813%0.13314%0.144CC..THydrogen-bonded Turntrans-103.510175.863.60000114.1D93 N130 S132D93-S95 PolarHBondContact O-N 3.13Å; D93-S95 WeakPolarHBondContact OD1-CA 3.46Å; D93-S95 WeakPolarHBondContact OD1-CB 3.4Å; D93-S95 PolarHBondContact OD1-N 3.06Å; D93-S95 PolarHBondContact OD1-OG 3.46Å; D93-S95 PolarHBondContact OD2-OG 3.31Å; S95-N130 WeakPolarHBondContact CB-ND2 3.4Å; S95-N130 PolarHBondContact OG-ND2 3.28Å; S95-S132 WeakPolarHBondContact CA-O 3.23Å; S95-S132 WeakPolarHBondContact CB-O 3.43Å
96N98Very high96.6Very high54 Ų5428.2 Ų28.229%0.28915%0.145SC..  trans-137.599.9177.3178.2-10.3000110.8D93 E98 S99D93-N96 HydrophobicContact CB-CB 4.03Å; D93-N96 PolarHBondContact O-N 2.97Å; N96-E98 VanDerWaalsContact C-N 3.32Å; N96-E98 PolarHBondContact O-N 3.2Å; N96-E98 WeakPolarHBondContact OD1-CB 3.23Å; N96-E98 PolarHBondContact OD1-N 3.38Å; N96-S99 PolarHBondContact O-N 2.77Å; N96-S99 PolarHBondContact O-OG 3.39Å; N96-S99 PolarHBondContact OD1-N 2.88Å
97R98Very high96.4Very high62 Ų6227.4 Ų27.423%0.23414%0.141CC..Hα-helixtrans-53.7-43.4178.3177.85659.7179.79.5113.7S99 F100 D101 E134 I135 E139R97-S99 VanDerWaalsContact C-N 3.25Å; R97-S99 PolarHBondContact O-N 3.07Å; R97-F100 WeakPolarHBondContact O-CB 3.49Å; R97-F100 PolarHBondContact O-N 2.88Å; R97-D101 WeakPolarHBondContact CG-OD2 3.35Å; R97-D101 PolarHBondContact O-N 2.98Å; R97-E134 WeakPolarHBondContact CB-OE2 3.49Å; R97-E134 PolarHBondContact N-OE2 2.86Å; R97-E134 PolarHBondContact NH2-O 2.82Å; R97-I135 VanDerWaalsContact CZ-CG1 3.43Å; R97-E139 IonicContact CZ-OE1 2.81Å; R97-E139 IonicContact CZ-OE2 3.61Å; R97-E139 IonicContact NH1-OE1 3.34Å; R97-E139 PolarHBondContact NH1-OE1 3.23Å; R97-E139 IonicContact NH1-OE2 2.87Å; R97-E139 VanDerWaalsContact NH2-CD 3.3Å; R97-E139 IonicContact NH2-OE1 3.66Å; R97-E139 PolarHBondContact NH2-OE1 3.49Å; R97-E139 IonicContact NH2-OE2 3.92Å; R97-E139 PolarHBondContact NH2-OE2 2.92Å
98E97.4Very high96.1Very high115 Ų11532 Ų3254%0.53716%0.163SC..Hα-helixtrans-57.9-41.4-177.8-176.7178.8-167.500111.1N96 F100 D101 H102N96-E98 VanDerWaalsContact C-N 3.32Å; N96-E98 PolarHBondContact O-N 3.2Å; N96-E98 WeakPolarHBondContact OD1-CB 3.23Å; N96-E98 PolarHBondContact OD1-N 3.38Å; E98-F100 PolarHBondContact O-N 3.39Å; E98-D101 PolarHBondContact O-N 3.37Å; E98-H102 WeakPolarHBondContact CG-CE1 3.48Å; E98-H102 VanDerWaalsContact O-CG 3.31Å; E98-H102 PolarHBondContact O-N 3.31Å; E98-H102 PolarHBondContact O-ND1 2.76Å; E98-H102 IonicContact OE1-CE1 2.83Å; E98-H102 PolarHBondContact OE1-CE1 3.14Å
99S97.1Very high95.7Very high0 Ų032.8 Ų32.80%017%0.167CC..Hα-helixtrans-63.1-28.1177.7780000113.9D93 N96 R97D93-S99 PolarHBondContact N-OG 3.35Å; D93-S99 PolarHBondContact O-OG 3.08Å; N96-S99 PolarHBondContact O-N 2.77Å; N96-S99 PolarHBondContact O-OG 3.39Å; N96-S99 PolarHBondContact OD1-N 2.88Å; R97-S99 VanDerWaalsContact C-N 3.25Å; R97-S99 PolarHBondContact O-N 3.07Å
100F98.2Very high95.4Very high13 Ų1333 Ų336%0.05717%0.168CC..Hα-helixtrans-79.1-42.9174.8180-96.5000111.2F92 R97 E98 H102 L103 I135 F143F92-F100 HydrophobicContact CB-CB 4.42Å; F92-F100 AromaticContact CD1-CD2 3.94Å; F92-F100 HydrophobicContact CD1-CD2 3.94Å; F92-F100 HydrophobicContact CD2-CB 4.01Å; F92-F100 AromaticContact CD2-CD2 3.76Å; F92-F100 HydrophobicContact CD2-CD2 3.76Å; F92-F100 HydrophobicContact CD2-CG 4.36Å; F92-F100 AromaticContact CE1-CD2 3.85Å; F92-F100 HydrophobicContact CE1-CD2 3.85Å; F92-F100 HydrophobicContact CE1-CE2 4.12Å; F92-F100 AromaticContact CE2-CD2 3.68Å; F92-F100 HydrophobicContact CE2-CD2 3.68Å; F92-F100 HydrophobicContact CE2-CE2 4.35Å; F92-F100 HydrophobicContact CG-CB 4.3Å; F92-F100 AromaticContact CG-CD2 3.88Å; F92-F100 HydrophobicContact CG-CD2 3.88Å; F92-F100 AromaticContact CZ-CD2 3.72Å; F92-F100 HydrophobicContact CZ-CD2 3.72Å; F92-F100 AromaticContact CZ-CE2 3.99Å; F92-F100 HydrophobicContact CZ-CE2 3.99Å; R97-F100 WeakPolarHBondContact O-CB 3.49Å; R97-F100 PolarHBondContact O-N 2.88Å; E98-F100 PolarHBondContact O-N 3.39Å; F100-H102 VanDerWaalsContact C-N 3.26Å; F100-H102 PolarHBondContact O-N 2.88Å; F100-L103 HydrophobicContact CD2-CD1 3.64Å; F100-L103 HydrophobicContact CE2-CD1 4.05Å; F100-L103 HydrophobicContact CG-CD1 4.22Å; F100-L103 VanDerWaalsContact O-CB 3.26Å; F100-L103 WeakPolarHBondContact O-CB 3.3Å; F100-L103 WeakPolarHBondContact O-CD1 3.36Å; F100-L103 WeakPolarHBondContact O-CG 3.08Å; F100-L103 PolarHBondContact O-N 3.42Å; F100-L103 VanDerWaalsContact O-N 3.14Å; F100-I135 HydrophobicContact CB-CD1 4.24Å; F100-I135 HydrophobicContact CB-CG1 4.03Å; F100-I135 HydrophobicContact CD2-CG2 4.11Å; F100-I135 HydrophobicContact CE2-CG2 4.2Å; F100-I135 HydrophobicContact CG-CG1 4.25Å; F100-I135 HydrophobicContact CG-CG2 4.3Å; F100-I135 HydrophobicContact CZ-CG2 4.47Å; F100-F143 HydrophobicContact CE1-CD2 4.22Å; F100-F143 HydrophobicContact CE2-CB 4.11Å; F100-F143 HydrophobicContact CE2-CD2 4.4Å; F100-F143 HydrophobicContact CE2-CG 4.27Å; F100-F143 HydrophobicContact CZ-CB 3.68Å; F100-F143 AromaticContact CZ-CD2 3.85Å; F100-F143 HydrophobicContact CZ-CD2 3.85Å; F100-F143 AromaticContact CZ-CG 3.97Å; F100-F143 HydrophobicContact CZ-CG 3.97Å
101D96.9Very high95Very high88 Ų8838.7 Ų38.747%0.47119%0.192SC..Hα-helixtrans-65.4-32.1-179.4-65.3-18.9000111.8R97 E98 L103R97-D101 WeakPolarHBondContact CG-OD2 3.35Å; R97-D101 PolarHBondContact O-N 2.98Å; E98-D101 PolarHBondContact O-N 3.37Å; D101-L103 VanDerWaalsContact C-N 3.27Å; D101-L103 PolarHBondContact O-N 2.9Å
102H95.7Very high94.6Very high67 Ų6743.4 Ų43.431%0.3122%0.221SC..THydrogen-bonded Turntrans-72.8-8.8175.5-69.3161.7000115.3D19 E98 F100 N104 S105 W106D19-H102 IonicContact OD1-ND1 2.76Å; D19-H102 IonicContact OD2-CE1 3.1Å; D19-H102 IonicContact OD2-CG 2.85Å; D19-H102 IonicContact OD2-ND1 3.87Å; D19-H102 PolarHBondContact OD2-ND1 3.26Å; E98-H102 WeakPolarHBondContact CG-CE1 3.48Å; E98-H102 VanDerWaalsContact O-CG 3.31Å; E98-H102 PolarHBondContact O-N 3.31Å; E98-H102 PolarHBondContact O-ND1 2.76Å; E98-H102 IonicContact OE1-CE1 2.83Å; E98-H102 PolarHBondContact OE1-CE1 3.14Å; F100-H102 VanDerWaalsContact C-N 3.26Å; F100-H102 PolarHBondContact O-N 2.88Å; H102-N104 PolarHBondContact O-N 3.11Å; H102-N104 VanDerWaalsContact O-N 3.13Å; H102-S105 WeakPolarHBondContact O-CB 3.28Å; H102-S105 PolarHBondContact O-N 3.46Å; H102-W106 PolarHBondContact O-N 3.06Å
103L94.9Very high94.2Very high0 Ų047.7 Ų47.70%024%0.238CC..Hα-helixtrans-56-32.7178.4-71.8170.7000112.7F90 F92 F100 D101 W106 M107 L123 F143F90-L103 HydrophobicContact CB-CD2 4.02Å; F90-L103 HydrophobicContact CD1-CD2 4.41Å; F92-L103 HydrophobicContact CB-CD1 4.37Å; F92-L103 HydrophobicContact CB-CD2 4.45Å; F92-L103 HydrophobicContact CD1-CD1 3.92Å; F92-L103 HydrophobicContact CG-CD1 4.35Å; F100-L103 HydrophobicContact CD2-CD1 3.64Å; F100-L103 HydrophobicContact CE2-CD1 4.05Å; F100-L103 HydrophobicContact CG-CD1 4.22Å; F100-L103 VanDerWaalsContact O-CB 3.26Å; F100-L103 WeakPolarHBondContact O-CB 3.3Å; F100-L103 WeakPolarHBondContact O-CD1 3.36Å; F100-L103 WeakPolarHBondContact O-CG 3.08Å; F100-L103 PolarHBondContact O-N 3.42Å; F100-L103 VanDerWaalsContact O-N 3.14Å; D101-L103 VanDerWaalsContact C-N 3.27Å; D101-L103 PolarHBondContact O-N 2.9Å; L103-W106 PolarHBondContact O-N 3.43Å; L103-M107 WeakPolarHBondContact O-CG 3.44Å; L103-M107 PolarHBondContact O-N 3.24Å; L103-L123 HydrophobicContact CD1-CD1 3.58Å; L103-L123 HydrophobicContact CD2-CD1 4.14Å; L103-F143 HydrophobicContact CB-CE1 4.07Å; L103-F143 HydrophobicContact CB-CE2 4.15Å; L103-F143 HydrophobicContact CB-CZ 3.48Å; L103-F143 VanDerWaalsContact CB-CZ 3.48Å; L103-F143 HydrophobicContact CD1-CD1 4.44Å; L103-F143 HydrophobicContact CD1-CE1 4.04Å; L103-F143 HydrophobicContact CD1-CE2 4.44Å; L103-F143 HydrophobicContact CD1-CZ 4.02Å; L103-F143 HydrophobicContact CG-CZ 4.42Å
104N93.2Very high93.8Very high65 Ų6548.5 Ų48.535%0.34824%0.244SC..Hα-helixtrans-60.7-46.1175.3-69.6-40000112.1H102 W106 M107 E108 Y147H102-N104 PolarHBondContact O-N 3.11Å; H102-N104 VanDerWaalsContact O-N 3.13Å; N104-W106 VanDerWaalsContact C-N 3.3Å; N104-W106 PolarHBondContact O-N 3.27Å; N104-M107 HydrophobicContact CB-CE 4.45Å; N104-M107 PolarHBondContact O-N 3.43Å; N104-M107 VanDerWaalsContact O-N 3.16Å; N104-M107 WeakPolarHBondContact OD1-CE 3.36Å; N104-E108 PolarHBondContact O-N 3.31Å; N104-Y147 PolarHBondContact OD1-OH 2.89Å
105S92.3Very high93.4Very high65 Ų6552.9 Ų52.946%0.45527%0.268SS..Hα-helixtrans-61-40.8176.6-56.80000111.5H102 M107 E108 E109H102-S105 WeakPolarHBondContact O-CB 3.28Å; H102-S105 PolarHBondContact O-N 3.46Å; S105-M107 PolarHBondContact O-N 2.89Å; S105-E108 PolarHBondContact O-N 3.21Å; S105-E109 WeakPolarHBondContact O-CB 3.31Å; S105-E109 PolarHBondContact O-N 3.25Å
106W92.1Very high92.9Very high4 Ų453 Ų532%0.01527%0.267CS..Hα-helixtrans-65.6-35.9175.5-70.2111.9000113.1I17 G18 D19 F90 H102 L103 N104 E109 L110I17-W106 HydrophobicContact CG2-CB 3.85Å; I17-W106 HydrophobicContact CG2-CD2 3.73Å; I17-W106 HydrophobicContact CG2-CE3 3.39Å; I17-W106 HydrophobicContact CG2-CG 3.95Å; I17-W106 HydrophobicContact CG2-CZ3 4.19Å; G18-W106 VanDerWaalsContact C-CE2 3.48Å; G18-W106 WeakPolarHBondContact O-CZ2 3.34Å; D19-W106 PolarHBondContact OD1-NE1 2.83Å; F90-W106 HydrophobicContact CD1-CB 4.05Å; F90-W106 HydrophobicContact CE1-CB 3.86Å; H102-W106 PolarHBondContact O-N 3.06Å; L103-W106 PolarHBondContact O-N 3.43Å; N104-W106 VanDerWaalsContact C-N 3.3Å; N104-W106 PolarHBondContact O-N 3.27Å; W106-E109 PolarHBondContact O-N 2.89Å; W106-L110 PolarHBondContact O-N 3.1Å
107M90.5Very high92.4Very high11 Ų1155.6 Ų55.65%0.05429%0.287CS..Hα-helixtrans-68.7-39.5175.9-75.3-175.3-64.600112.2F90 L103 N104 S105 E109 L110 K111 F143 Y147 M149F90-M107 HydrophobicContact CD1-CG 4.32Å; F90-M107 HydrophobicContact CE1-CB 4.46Å; F90-M107 HydrophobicContact CE1-CG 3.66Å; F90-M107 HydrophobicContact CE2-CG 4.47Å; F90-M107 HydrophobicContact CZ-CG 3.73Å; L103-M107 WeakPolarHBondContact O-CG 3.44Å; L103-M107 PolarHBondContact O-N 3.24Å; N104-M107 HydrophobicContact CB-CE 4.45Å; N104-M107 PolarHBondContact O-N 3.43Å; N104-M107 VanDerWaalsContact O-N 3.16Å; N104-M107 WeakPolarHBondContact OD1-CE 3.36Å; S105-M107 PolarHBondContact O-N 2.89Å; M107-E109 VanDerWaalsContact C-N 3.35Å; M107-L110 PolarHBondContact O-N 3.02Å; M107-K111 VanDerWaalsContact O-CG 3.31Å; M107-K111 WeakPolarHBondContact O-CG 3.37Å; M107-K111 PolarHBondContact O-N 3.28Å; M107-F143 HydrophobicContact CE-CE1 3.81Å; M107-F143 HydrophobicContact CE-CE2 4.42Å; M107-F143 HydrophobicContact CE-CZ 3.38Å; M107-F143 HydrophobicContact SD-CE1 4.25Å; M107-F143 HydrophobicContact SD-CZ 4.4Å; M107-Y147 HydrophobicContact CE-CD1 3.75Å; M107-Y147 HydrophobicContact CE-CD2 3.79Å; M107-Y147 HydrophobicContact CE-CE1 3.38Å; M107-Y147 HydrophobicContact CE-CE2 3.45Å; M107-Y147 VanDerWaalsContact CE-CE2 3.45Å; M107-Y147 HydrophobicContact CE-CG 3.94Å; M107-Y147 HydrophobicContact SD-CD1 3.36Å; M107-Y147 WeakPolarHBondContact SD-CD1 3.48Å; M107-Y147 HydrophobicContact SD-CD2 3.95Å; M107-Y147 HydrophobicContact SD-CE1 3.62Å; M107-Y147 HydrophobicContact SD-CE2 4.2Å; M107-Y147 HydrophobicContact SD-CG 3.54Å; M107-Y147 VanDerWaalsContact SD-CG 3.54Å; M107-M149 HydrophobicContact SD-CE 3.83Å
108E90.4Very high92Very high97 Ų9757.8 Ų57.845%0.45330%0.303SS..Hα-helixtrans-66.6-37.7173.8-64.7-49.5128.600111.6N104 S105 K111 T112N104-E108 PolarHBondContact O-N 3.31Å; S105-E108 PolarHBondContact O-N 3.21Å; E108-K111 PolarHBondContact O-N 2.84Å; E108-K111 IonicContact OE1-NZ 3.43Å; E108-K111 PolarHBondContact OE1-NZ 2.82Å; E108-K111 IonicContact OE2-NZ 3.27Å; E108-T112 WeakPolarHBondContact O-CB 3.31Å; E108-T112 PolarHBondContact O-N 3Å; E108-T112 PolarHBondContact O-OG1 3.05Å
109E89Confident91.8Very high17 Ų1752.8 Ų52.88%0.07928%0.28CS..Hα-helixtrans-59.5-47.8171.5-169.3178128.500111.3R75 T78 Y82 S105 W106 M107 K111 T112 Y113R75-E109 WeakPolarHBondContact CD-OE2 3.28Å; R75-E109 IonicContact CZ-OE2 3.18Å; R75-E109 IonicContact NE-OE2 3.87Å; R75-E109 PolarHBondContact NE-OE2 3.21Å; R75-E109 IonicContact NH2-OE2 2.84Å; T78-E109 HydrophobicContact CG2-CG 4.07Å; T78-E109 WeakPolarHBondContact CG2-OE1 3.47Å; Y82-E109 PolarHBondContact OH-OE1 3.3Å; S105-E109 WeakPolarHBondContact O-CB 3.31Å; S105-E109 PolarHBondContact O-N 3.25Å; W106-E109 PolarHBondContact O-N 2.89Å; M107-E109 VanDerWaalsContact C-N 3.35Å; E109-K111 PolarHBondContact O-N 2.86Å; E109-T112 WeakPolarHBondContact O-CB 3.26Å; E109-T112 PolarHBondContact O-N 3.48Å; E109-T112 VanDerWaalsContact O-N 3.16Å; E109-Y113 HydrophobicContact CG-CD2 3.74Å; E109-Y113 HydrophobicContact CG-CE2 3.74Å; E109-Y113 VanDerWaalsContact O-CD2 3.27Å; E109-Y113 WeakPolarHBondContact O-CD2 3.45Å; E109-Y113 PolarHBondContact O-N 3.36Å; E109-Y113 VanDerWaalsContact O-N 3.14Å
110L90.3Very high91.8Very high4 Ų453.8 Ų53.82%0.02129%0.285CS..Hα-helixtrans-59.5-44.6175.9-177.869.3000112.4L15 I17 Y82 A88 F90 W106 M107 T112 Y113 S114 M119 K121L15-L110 HydrophobicContact CD1-CD1 4.32Å; I17-L110 HydrophobicContact CD1-CD1 3.97Å; Y82-L110 HydrophobicContact CD1-CB 4.3Å; Y82-L110 HydrophobicContact CD1-CD1 3.37Å; Y82-L110 HydrophobicContact CD1-CG 4.37Å; Y82-L110 VanDerWaalsContact CE1-CA 3.47Å; Y82-L110 HydrophobicContact CE1-CB 3.89Å; Y82-L110 HydrophobicContact CE1-CD1 3.56Å; Y82-L110 HydrophobicContact CE1-CG 4.33Å; A88-L110 HydrophobicContact CB-CD1 4.34Å; A88-L110 HydrophobicContact CB-CD2 4.04Å; F90-L110 HydrophobicContact CE2-CD2 3.74Å; F90-L110 HydrophobicContact CZ-CB 4.14Å; F90-L110 HydrophobicContact CZ-CD2 3.44Å; F90-L110 VanDerWaalsContact CZ-CD2 3.44Å; F90-L110 HydrophobicContact CZ-CG 4.39Å; W106-L110 PolarHBondContact O-N 3.1Å; M107-L110 PolarHBondContact O-N 3.02Å; L110-T112 VanDerWaalsContact C-N 3.26Å; L110-T112 PolarHBondContact O-N 2.89Å; L110-Y113 PolarHBondContact O-N 3.45Å; L110-S114 WeakPolarHBondContact O-CB 3.47Å; L110-S114 PolarHBondContact O-N 2.95Å; L110-M119 HydrophobicContact CD1-CE 4.01Å; L110-M119 HydrophobicContact CD1-SD 3.84Å; L110-M119 HydrophobicContact CD2-SD 4.16Å; L110-K121 HydrophobicContact CD2-CD 4.11Å; L110-K121 HydrophobicContact CD2-CG 4.16Å
111K89.9Confident91.7Very high120 Ų12056.5 Ų56.552%0.52230%0.297SS..Hα-helixtrans-62.1-35.3176.8-73.5172.1-174.6171.90112.2M107 E108 E109M107-K111 VanDerWaalsContact O-CG 3.31Å; M107-K111 WeakPolarHBondContact O-CG 3.37Å; M107-K111 PolarHBondContact O-N 3.28Å; E108-K111 PolarHBondContact O-N 2.84Å; E108-K111 IonicContact OE1-NZ 3.43Å; E108-K111 PolarHBondContact OE1-NZ 2.82Å; E108-K111 IonicContact OE2-NZ 3.27Å; E109-K111 PolarHBondContact O-N 2.86Å
112T90Very high91.8Very high99 Ų9952.5 Ų52.561%0.60728%0.275SS*.Hα-helixtrans-70.7-37.2-178.6-58.80000112.2E108 E109 L110E108-T112 WeakPolarHBondContact O-CB 3.31Å; E108-T112 PolarHBondContact O-N 3Å; E108-T112 PolarHBondContact O-OG1 3.05Å; E109-T112 WeakPolarHBondContact O-CB 3.26Å; E109-T112 PolarHBondContact O-N 3.48Å; E109-T112 VanDerWaalsContact O-N 3.16Å; L110-T112 VanDerWaalsContact C-N 3.26Å; L110-T112 PolarHBondContact O-N 2.89Å
113Y89.8Confident91.9Very high90 Ų9049.3 Ų49.335%0.35326%0.261SS..Hα-helixtrans-110.9-15.9-169.9-61.4-55000115.6T78 P79 E109 L110T78-Y113 HydrophobicContact CG2-CD2 3.35Å; T78-Y113 HydrophobicContact CG2-CE2 3.65Å; T78-Y113 HydrophobicContact CG2-CG 4.13Å; P79-Y113 HydrophobicContact CB-CD1 3.96Å; P79-Y113 HydrophobicContact CB-CE1 4.46Å; P79-Y113 HydrophobicContact CG-CD1 3.75Å; P79-Y113 HydrophobicContact CG-CE1 3.78Å; P79-Y113 HydrophobicContact CG-CG 4.43Å; E109-Y113 HydrophobicContact CG-CD2 3.74Å; E109-Y113 HydrophobicContact CG-CE2 3.74Å; E109-Y113 VanDerWaalsContact O-CD2 3.27Å; E109-Y113 WeakPolarHBondContact O-CD2 3.45Å; E109-Y113 PolarHBondContact O-N 3.36Å; E109-Y113 VanDerWaalsContact O-N 3.14Å; L110-Y113 PolarHBondContact O-N 3.45Å
114S89.7Confident92.1Very high28 Ų2849.3 Ų49.320%0.19626%0.261CS..  trans-73.8136.3174.3-178.40000111.3L110 N116 M119L110-S114 WeakPolarHBondContact O-CB 3.47Å; L110-S114 PolarHBondContact O-N 2.95Å; S114-N116 PolarHBondContact OG-N 3.49Å; S114-N116 VanDerWaalsContact OG-N 3.07Å; S114-N116 PolarHBondContact OG-O 2.9Å; S114-M119 WeakPolarHBondContact OG-CE 3.4Å
115D89.3Confident92.4Very high92 Ų9246.2 Ų46.249%0.49224%0.244SC..SBendtrans-96.4-1.5168.664.1-24.9000113R83 G84 P117R83-D115 WeakPolarHBondContact CA-OD1 3.48Å; R83-D115 WeakPolarHBondContact CG-OD2 3.17Å; G84-D115 PolarHBondContact N-OD1 3.21Å; D115-P117 WeakPolarHBondContact O-CD 3.49Å
116N89.2Confident92.7Very high22 Ų2243.2 Ų43.212%0.11822%0.223CC..  trans-110.3102.5-177.7-174.33.5000110.9S85 S114 D118 M119S85-N116 PolarHBondContact O-ND2 2.88Å; S114-N116 PolarHBondContact OG-N 3.49Å; S114-N116 VanDerWaalsContact OG-N 3.07Å; S114-N116 PolarHBondContact OG-O 2.9Å; N116-D118 VanDerWaalsContact C-N 3.27Å; N116-D118 PolarHBondContact O-N 3.25Å; N116-D118 PolarHBondContact OD1-N 2.96Å; N116-D118 VanDerWaalsContact OD1-N 3.1Å; N116-M119 HydrophobicContact CB-CB 4.32Å; N116-M119 HydrophobicContact CB-CE 4.45Å; N116-M119 WeakPolarHBondContact O-CB 3.45Å; N116-M119 PolarHBondContact O-N 3.01Å; N116-M119 PolarHBondContact OD1-N 2.84Å
117P87.3Confident93Very high108 Ų10845.9 Ų45.970%0.70124%0.235SC*.THydrogen-bonded Turntrans-68.2-27.7177.527.7-33.8000112.7D115 M119D115-P117 WeakPolarHBondContact O-CD 3.49Å; P117-M119 VanDerWaalsContact C-N 3.3Å; P117-M119 PolarHBondContact O-N 2.9Å
118D89.9Confident93.3Very high109 Ų10946.9 Ų46.958%0.58324%0.24SC*.THydrogen-bonded Turntrans-89.67.2-176.6-59.2-50.3000113.2N116 I120 L179N116-D118 VanDerWaalsContact C-N 3.27Å; N116-D118 PolarHBondContact O-N 3.25Å; N116-D118 PolarHBondContact OD1-N 2.96Å; N116-D118 VanDerWaalsContact OD1-N 3.1Å; D118-I120 PolarHBondContact O-N 3.01Å; D118-L179 HydrophobicContact CB-CD2 3.91Å
119M93.3Very high93.7Very high10 Ų1044.9 Ų44.95%0.04923%0.232CC..  trans-53.5129.9179.9-176-172.6-5700111.5S85 A88 L110 S114 N116 P117 K121S85-M119 WeakPolarHBondContact O-CE 2.99Å; A88-M119 HydrophobicContact CB-SD 3.63Å; L110-M119 HydrophobicContact CD1-CE 4.01Å; L110-M119 HydrophobicContact CD1-SD 3.84Å; L110-M119 HydrophobicContact CD2-SD 4.16Å; S114-M119 WeakPolarHBondContact OG-CE 3.4Å; N116-M119 HydrophobicContact CB-CB 4.32Å; N116-M119 HydrophobicContact CB-CE 4.45Å; N116-M119 WeakPolarHBondContact O-CB 3.45Å; N116-M119 PolarHBondContact O-N 3.01Å; N116-M119 PolarHBondContact OD1-N 2.84Å; P117-M119 VanDerWaalsContact C-N 3.3Å; P117-M119 PolarHBondContact O-N 2.9Å; M119-K121 PolarHBondContact O-N 2.9Å
120I95.9Very high94.1Very high21 Ų2146.8 Ų46.811%0.10824%0.243CC..EExtended strand (participates in β ladder)trans-69.1127.8174.2-54.6-57.8000109.4H86 A87 A88 D118 L122 R172 I173 H176 L179H86-I120 PolarHBondContact O-N 2.85Å; A87-I120 CarbonylContact C-O 3.45Å; A87-I120 WeakPolarHBondContact CA-O 3.42Å; A87-I120 HydrophobicContact CB-CB 4.05Å; A87-I120 WeakPolarHBondContact CB-O 3.08Å; A88-I120 PolarHBondContact N-O 2.99Å; D118-I120 PolarHBondContact O-N 3.01Å; I120-L122 HydrophobicContact CG2-CD1 3.72Å; I120-R172 HydrophobicContact CG1-CB 4.4Å; I120-R172 HydrophobicContact CG2-CB 3.9Å; I120-I173 HydrophobicContact CG1-CG1 4.42Å; I120-H176 HydrophobicContact CD1-CB 4.41Å; I120-H176 VanDerWaalsContact CD1-CD2 3.48Å; I120-H176 WeakPolarHBondContact CD1-CD2 3.16Å; I120-L179 HydrophobicContact CD1-CD1 4Å; I120-L179 HydrophobicContact CG1-CD1 3.63Å
121K96.5Very high94.3Very high70 Ų7054.5 Ų54.530%0.30428%0.283SS..EExtended strand (participates in β ladder)trans-118.6133.5179.1-61.3164.1-166.8159.50109.6A88 F90 L110 M119 M149 P150A88-K121 WeakPolarHBondContact O-CA 3.46Å; F90-K121 HydrophobicContact CE2-CB 4.23Å; F90-K121 HydrophobicContact CE2-CD 4.5Å; F90-K121 HydrophobicContact CE2-CG 4.19Å; L110-K121 HydrophobicContact CD2-CD 4.11Å; L110-K121 HydrophobicContact CD2-CG 4.16Å; M119-K121 PolarHBondContact O-N 2.9Å; K121-M149 HydrophobicContact CB-CG 3.82Å; K121-M149 HydrophobicContact CB-SD 3.59Å; K121-M149 VanDerWaalsContact CB-SD 3.59Å; K121-P150 VanDerWaalsContact O-CD 3.3Å; K121-P150 WeakPolarHBondContact O-CD 3.47Å
122L98Very high94.6Very high3 Ų352.5 Ų52.52%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-127146.6174.9-60.484.1000109.6A88 V89 F90 I120 P150 L165 V169A88-L122 PolarHBondContact O-N 3Å; V89-L122 HydrophobicContact CG2-CB 4.3Å; V89-L122 HydrophobicContact CG2-CD1 4.33Å; F90-L122 PolarHBondContact N-O 3.43Å; I120-L122 HydrophobicContact CG2-CD1 3.72Å; L122-P150 HydrophobicContact CD2-CB 4.49Å; L122-P150 HydrophobicContact CG-CB 4.45Å; L122-P150 HydrophobicContact CG-CG 4.45Å; L122-L165 HydrophobicContact CD2-CD1 4.29Å; L122-V169 HydrophobicContact CD1-CG2 3.77Å; L122-V169 HydrophobicContact CD2-CG2 3.85Å; L122-V169 HydrophobicContact CG-CG2 4.44Å
123L98.6Very high94.9Very high0 Ų052 Ų520%027%0.271CS..EExtended strand (participates in β ladder)trans-104.1136.6172.6-178.567.5000110F90 F92 L103 G140 F143 M149 P150 Y151 A152F90-L123 HydrophobicContact CB-CD1 4.12Å; F90-L123 CarbonylContact O-C 3.46Å; F92-L123 HydrophobicContact CD1-CD1 3.83Å; F92-L123 HydrophobicContact CD1-CG 4.37Å; F92-L123 HydrophobicContact CE1-CD1 3.9Å; F92-L123 HydrophobicContact CE1-CD2 4.21Å; F92-L123 HydrophobicContact CE1-CG 3.95Å; L103-L123 HydrophobicContact CD1-CD1 3.58Å; L103-L123 HydrophobicContact CD2-CD1 4.14Å; L123-G140 WeakPolarHBondContact CD2-O 3.46Å; L123-F143 HydrophobicContact CD2-CB 4.33Å; L123-F143 HydrophobicContact CD2-CD1 3.79Å; L123-F143 HydrophobicContact CD2-CG 4.42Å; L123-M149 HydrophobicContact CB-CE 4.46Å; L123-P150 PolarHBondContact N-O 3.25Å; L123-Y151 HydrophobicContact CB-CD2 4.05Å; L123-Y151 HydrophobicContact CD2-CD2 3.75Å; L123-Y151 HydrophobicContact CD2-CE2 4.15Å; L123-Y151 HydrophobicContact CG-CD2 3.75Å; L123-Y151 HydrophobicContact CG-CE2 4.15Å; L123-Y151 WeakPolarHBondContact O-CA 3.21Å; L123-Y151 WeakPolarHBondContact O-CD2 3.46Å; L123-A152 PolarHBondContact O-N 3.47Å
124V98.7Very high95.3Very high0 Ų052.9 Ų52.90%028%0.278CS..EExtended strand (participates in β ladder)trans-133.7120.3-178.6178.40000110.9V89 F90 V91 F92 A152 T154 L165V89-V124 HydrophobicContact CG1-CB 4.18Å; V89-V124 HydrophobicContact CG1-CG2 3.51Å; F90-V124 PolarHBondContact O-N 3.03Å; V91-V124 WeakPolarHBondContact CA-O 3.36Å; F92-V124 WeakPolarHBondContact CD1-O 3.42Å; F92-V124 PolarHBondContact N-O 3.3Å; V124-A152 VanDerWaalsContact CA-O 3.31Å; V124-A152 WeakPolarHBondContact CA-O 3.43Å; V124-T154 HydrophobicContact CG1-CG2 3.85Å; V124-T154 VanDerWaalsContact CG1-OG1 3.26Å; V124-T154 WeakPolarHBondContact CG1-OG1 3.28Å; V124-L165 HydrophobicContact CG1-CD2 4.14Å; V124-L165 HydrophobicContact CG2-CD1 3.42Å; V124-L165 VanDerWaalsContact CG2-CD1 3.42Å; V124-L165 HydrophobicContact CG2-CD2 3.74Å; V124-L165 HydrophobicContact CG2-CG 4.22Å
125G98.8Very high95.8Very high0 Ų051.6 Ų51.60%027%0.269CS..EExtended strand (participates in β ladder)trans-88.5107.3164.700000109.6A152 E153 T154G125-A152 PolarHBondContact N-O 2.93Å; G125-E153 CarbonylContact O-C 3.6Å; G125-E153 VanDerWaalsContact O-CA 3.28Å; G125-E153 WeakPolarHBondContact O-CA 3.43Å; G125-T154 PolarHBondContact O-N 3.34Å
126N98.8Very high96.2Very high2 Ų249 Ų491%0.01126%0.259CS..EExtended strand (participates in β ladder)trans-94.4166.7179.7-172.333.6000111.5V22 L27 V91 F92 V94 T154 A156V22-N126 PolarHBondContact O-ND2 3.42Å; L27-N126 HydrophobicContact CD1-CB 4.28Å; V91-N126 HydrophobicContact CG1-CB 3.78Å; F92-N126 PolarHBondContact O-N 3.46Å; V94-N126 WeakPolarHBondContact CG2-O 3.3Å; V94-N126 PolarHBondContact N-O 3.49Å; N126-T154 CarbonylContact C-O 3.57Å; N126-T154 VanDerWaalsContact CA-O 3.28Å; N126-T154 WeakPolarHBondContact CA-O 3.19Å; N126-T154 PolarHBondContact OD1-O 3.3Å; N126-T154 PolarHBondContact OD1-OG1 3.45Å; N126-A156 PolarHBondContact OD1-N 3.35Å
127K98.3Very high96.5Very high60 Ų6054.6 Ų54.626%0.26128%0.278SS..  trans65.938.3-179.7-45.5-167.4-162.4165.40113.8G21 D93 V94 D129 N130 T154G21-K127 WeakPolarHBondContact O-CE 3.41Å; G21-K127 PolarHBondContact O-NZ 3.46Å; D93-K127 HydrophobicContact CB-CD 4.5Å; D93-K127 VanDerWaalsContact OD2-CD 3.28Å; D93-K127 WeakPolarHBondContact OD2-CD 3.29Å; D93-K127 WeakPolarHBondContact OD2-CE 3.18Å; D93-K127 IonicContact OD2-NZ 3.43Å; D93-K127 PolarHBondContact OD2-NZ 3.1Å; V94-K127 WeakPolarHBondContact CG2-O 3.46Å; K127-D129 WeakPolarHBondContact CA-OD1 3.27Å; K127-D129 PolarHBondContact O-N 3.45Å; K127-N130 WeakPolarHBondContact O-CB 3.38Å; K127-N130 PolarHBondContact O-N 3.2Å; K127-T154 PolarHBondContact N-O 3.45Å
128I98.5Very high97.1Very high33 Ų3355.7 Ų55.717%0.16927%0.273CS..THydrogen-bonded Turntrans-62.7-12.4175.165.6-178.4000114.4V94 N130 E153 T154 E160V94-I128 HydrophobicContact CG1-CG2 4.11Å; V94-I128 HydrophobicContact CG2-CG2 4.31Å; I128-N130 PolarHBondContact O-N 3.07Å; I128-E153 HydrophobicContact CD1-CB 4.25Å; I128-E153 HydrophobicContact CG2-CB 3.74Å; I128-E153 HydrophobicContact CG2-CG 4.06Å; I128-T154 WeakPolarHBondContact CG1-O 3.21Å; I128-T154 PolarHBondContact N-O 2.91Å; I128-E160 HydrophobicContact CD1-CB 4.39Å; I128-E160 HydrophobicContact CD1-CG 4.04Å
129D98Very high97.4Very high54 Ų5452.6 Ų52.629%0.28926%0.256SS..THydrogen-bonded Turntrans-72.2-11.8169.863.6-80.9000113.7K127 S155 K157 T158K127-D129 WeakPolarHBondContact CA-OD1 3.27Å; K127-D129 PolarHBondContact O-N 3.45Å; D129-S155 VanDerWaalsContact CG-OG 3.3Å; D129-S155 VanDerWaalsContact OD1-CB 3.31Å; D129-S155 WeakPolarHBondContact OD1-CB 3.25Å; D129-S155 PolarHBondContact OD1-OG 3.27Å; D129-K157 WeakPolarHBondContact OD2-CD 3.5Å; D129-K157 IonicContact OD2-NZ 2.76Å; D129-T158 HydrophobicContact CB-CG2 3.88Å
130N96.5Very high97.7Very high58 Ų5852.1 Ų52.131%0.3125%0.253SS..  trans-79123.4177.5-164.9-15.9000110.9S95 K127 I128 S132S95-N130 WeakPolarHBondContact CB-ND2 3.4Å; S95-N130 PolarHBondContact OG-ND2 3.28Å; K127-N130 WeakPolarHBondContact O-CB 3.38Å; K127-N130 PolarHBondContact O-N 3.2Å; I128-N130 PolarHBondContact O-N 3.07Å; N130-S132 VanDerWaalsContact C-N 3.26Å; N130-S132 PolarHBondContact O-N 2.92Å; N130-S132 PolarHBondContact OD1-N 3.26Å
131I95.2Very high97.7Very high166 Ų16653.4 Ų53.485%0.85126%0.26SS*.SBendtrans-66.8-27.2177.961.8172000112.7R133I131-R133 PolarHBondContact O-N 2.9Å
132S95.8Very high97.8Very high78 Ų7858.2 Ų58.255%0.54528%0.276SS..SBendtrans-85.949.4-179.6-57.40000111.4S95 N130 E134S95-S132 WeakPolarHBondContact CA-O 3.23Å; S95-S132 WeakPolarHBondContact CB-O 3.43Å; N130-S132 VanDerWaalsContact C-N 3.26Å; N130-S132 PolarHBondContact O-N 2.92Å; N130-S132 PolarHBondContact OD1-N 3.26Å; S132-E134 PolarHBondContact O-N 2.83Å
133R97.8Very high97.8Very high89 Ų8959 Ų5934%0.33628%0.28SS..  trans-63.6126177.1175.5-175.4-83.4-116.613.7110V94 I131 I135 E153V94-R133 HydrophobicContact CB-CG 4.31Å; V94-R133 HydrophobicContact CG2-CG 4.42Å; V94-R133 CarbonylContact O-C 3.59Å; I131-R133 PolarHBondContact O-N 2.9Å; R133-I135 VanDerWaalsContact CD-O 3.22Å; R133-I135 WeakPolarHBondContact CD-O 3.05Å; R133-I135 WeakPolarHBondContact CG-O 3.11Å; R133-I135 PolarHBondContact NH1-O 3.2Å; R133-E153 IonicContact CZ-OE1 2.71Å; R133-E153 VanDerWaalsContact CZ-OE1 3.31Å; R133-E153 IonicContact CZ-OE2 3.99Å; R133-E153 IonicContact NH1-OE1 3.8Å; R133-E153 PolarHBondContact NH1-OE1 3.38Å; R133-E153 IonicContact NH1-OE2 4Å; R133-E153 IonicContact NH2-OE1 3.84Å; R133-E153 PolarHBondContact NH2-OE1 2.89Å; R133-E153 IonicContact NH2-OE2 3.04Å; R133-E153 PolarHBondContact NH2-OE2 3.44Å
134E98.2Very high97.7Very high107 Ų10759.3 Ų59.350%0.528%0.282SS..  trans-102.9-23.7176.3-64.7-174.1177.400112.7V94 R97 S132V94-E134 PolarHBondContact O-N 2.78Å; R97-E134 WeakPolarHBondContact CB-OE2 3.49Å; R97-E134 PolarHBondContact N-OE2 2.86Å; R97-E134 PolarHBondContact NH2-O 2.82Å; S132-E134 PolarHBondContact O-N 2.83Å
135I98.3Very high97.6Very high1 Ų168.5 Ų68.51%0.00532%0.316CS..SBendtrans-112119.4-179.6-53.399.1000110.4F92 D93 V94 R97 F100 R133 E139F92-I135 HydrophobicContact CD2-CD1 4.3Å; F92-I135 HydrophobicContact CE2-CB 4.11Å; F92-I135 HydrophobicContact CE2-CD1 4.35Å; F92-I135 HydrophobicContact CE2-CG1 4.41Å; F92-I135 HydrophobicContact CE2-CG2 3.96Å; F92-I135 HydrophobicContact CZ-CG2 4.42Å; D93-I135 VanDerWaalsContact O-CD1 3.29Å; D93-I135 WeakPolarHBondContact O-CD1 3.39Å; V94-I135 WeakPolarHBondContact O-CD1 3.3Å; V94-I135 PolarHBondContact O-N 3Å; R97-I135 VanDerWaalsContact CZ-CG1 3.43Å; F100-I135 HydrophobicContact CB-CD1 4.24Å; F100-I135 HydrophobicContact CB-CG1 4.03Å; F100-I135 HydrophobicContact CD2-CG2 4.11Å; F100-I135 HydrophobicContact CE2-CG2 4.2Å; F100-I135 HydrophobicContact CG-CG1 4.25Å; F100-I135 HydrophobicContact CG-CG2 4.3Å; F100-I135 HydrophobicContact CZ-CG2 4.47Å; R133-I135 VanDerWaalsContact CD-O 3.22Å; R133-I135 WeakPolarHBondContact CD-O 3.05Å; R133-I135 WeakPolarHBondContact CG-O 3.11Å; R133-I135 PolarHBondContact NH1-O 3.2Å; I135-E139 HydrophobicContact CG2-CB 3.92Å
136S97.7Very high97.4Very high39 Ų3974.7 Ų74.727%0.27335%0.349SS..  trans-69.315517662.80000111.9E138 E139 G140S136-E138 WeakPolarHBondContact CB-OE2 3.33Å; S136-E138 PolarHBondContact O-N 3.37Å; S136-E139 PolarHBondContact N-OE2 2.89Å; S136-E139 PolarHBondContact O-N 3.17Å; S136-E139 WeakPolarHBondContact OG-CB 3.26Å; S136-E139 WeakPolarHBondContact OG-CG 3.5Å; S136-E139 PolarHBondContact OG-N 2.55Å; S136-E139 PolarHBondContact OG-OE2 2.95Å; S136-G140 PolarHBondContact O-N 3.07Å
137R97.5Very high97.1Very high139 Ų13978.5 Ų78.553%0.52536%0.364SS..Hα-helixtrans-61.5-33.6175.6-170.4177.9179.7-127.71.6110.9G140 L141 Y151R137-G140 PolarHBondContact O-N 3.37Å; R137-L141 HydrophobicContact CG-CD1 4.27Å; R137-L141 WeakPolarHBondContact O-CB 3.43Å; R137-L141 WeakPolarHBondContact O-CG 3.48Å; R137-L141 PolarHBondContact O-N 3.27Å; R137-Y151 HydrophobicContact CG-CE1 4Å
138E98Very high96.9Very high130 Ų13082.9 Ų82.961%0.60739%0.39SS*.Hα-helixtrans-63.3-41.5177.1-67.867.6-148.900112S136 L141 R142S136-E138 WeakPolarHBondContact CB-OE2 3.33Å; S136-E138 PolarHBondContact O-N 3.37Å; E138-L141 PolarHBondContact O-N 3.3Å; E138-R142 WeakPolarHBondContact O-CB 3.22Å; E138-R142 PolarHBondContact O-N 2.86Å
139E97.8Very high96.7Very high45 Ų4581.8 Ų81.821%0.2138%0.384CS..Hα-helixtrans-64.4-44.5174.8-76.6173.190.800112R97 I135 S136 R142 F143R97-E139 IonicContact CZ-OE1 2.81Å; R97-E139 IonicContact CZ-OE2 3.61Å; R97-E139 IonicContact NH1-OE1 3.34Å; R97-E139 PolarHBondContact NH1-OE1 3.23Å; R97-E139 IonicContact NH1-OE2 2.87Å; R97-E139 VanDerWaalsContact NH2-CD 3.3Å; R97-E139 IonicContact NH2-OE1 3.66Å; R97-E139 PolarHBondContact NH2-OE1 3.49Å; R97-E139 IonicContact NH2-OE2 3.92Å; R97-E139 PolarHBondContact NH2-OE2 2.92Å; I135-E139 HydrophobicContact CG2-CB 3.92Å; S136-E139 PolarHBondContact N-OE2 2.89Å; S136-E139 PolarHBondContact O-N 3.17Å; S136-E139 WeakPolarHBondContact OG-CB 3.26Å; S136-E139 WeakPolarHBondContact OG-CG 3.5Å; S136-E139 PolarHBondContact OG-N 2.55Å; S136-E139 PolarHBondContact OG-OE2 2.95Å; E139-R142 PolarHBondContact O-N 3.49Å; E139-F143 PolarHBondContact O-N 2.87Å
140G97.9Very high96.7Very high0 Ų080.8 Ų80.80%038%0.381CS..Hα-helixtrans-58.7-47.6174.400000112.2L123 S136 R137 R142 F143 S144L123-G140 WeakPolarHBondContact CD2-O 3.46Å; S136-G140 PolarHBondContact O-N 3.07Å; R137-G140 PolarHBondContact O-N 3.37Å; G140-R142 PolarHBondContact O-N 2.77Å; G140-F143 PolarHBondContact O-N 2.82Å; G140-S144 WeakPolarHBondContact O-CB 3.16Å; G140-S144 PolarHBondContact O-N 3.24Å
141L97.9Very high96.8Very high47 Ų4779.7 Ų79.725%0.24637%0.373CS..Hα-helixtrans-61.4-40.4175.5-76.2167.3000112.7R137 E138 S144 R145 Y151R137-L141 HydrophobicContact CG-CD1 4.27Å; R137-L141 WeakPolarHBondContact O-CB 3.43Å; R137-L141 WeakPolarHBondContact O-CG 3.48Å; R137-L141 PolarHBondContact O-N 3.27Å; E138-L141 PolarHBondContact O-N 3.3Å; L141-S144 PolarHBondContact O-N 3.44Å; L141-S144 PolarHBondContact O-OG 3.46Å; L141-R145 VanDerWaalsContact O-CG 3.26Å; L141-R145 WeakPolarHBondContact O-CG 3.32Å; L141-R145 PolarHBondContact O-N 2.55Å; L141-Y151 HydrophobicContact CD2-CD1 3.75Å; L141-Y151 HydrophobicContact CD2-CG 4.44Å; L141-Y151 HydrophobicContact CG-CD1 3.75Å; L141-Y151 HydrophobicContact CG-CE1 4.27Å
142R98Very high96.9Very high172 Ų17273.3 Ų73.365%0.64934%0.344SS*.Hα-helixtrans-64-45.7177.9-177.2179.564.6-176.8-2111E138 E139 G140 R145 L146E138-R142 WeakPolarHBondContact O-CB 3.22Å; E138-R142 PolarHBondContact O-N 2.86Å; E139-R142 PolarHBondContact O-N 3.49Å; G140-R142 PolarHBondContact O-N 2.77Å; R142-R145 PolarHBondContact O-N 3.33Å; R142-L146 PolarHBondContact O-N 3.3Å; R142-L146 VanDerWaalsContact O-N 3.16Å
143F97Very high97.1Very high19 Ų1971.4 Ų71.48%0.08333%0.327CS..Hα-helixtrans-62.1-45.6176.3-171.8-77.1000111.3F100 L103 M107 L123 E139 G140 R145 L146 Y147 M149F100-F143 HydrophobicContact CE1-CD2 4.22Å; F100-F143 HydrophobicContact CE2-CB 4.11Å; F100-F143 HydrophobicContact CE2-CD2 4.4Å; F100-F143 HydrophobicContact CE2-CG 4.27Å; F100-F143 HydrophobicContact CZ-CB 3.68Å; F100-F143 AromaticContact CZ-CD2 3.85Å; F100-F143 HydrophobicContact CZ-CD2 3.85Å; F100-F143 AromaticContact CZ-CG 3.97Å; F100-F143 HydrophobicContact CZ-CG 3.97Å; L103-F143 HydrophobicContact CB-CE1 4.07Å; L103-F143 HydrophobicContact CB-CE2 4.15Å; L103-F143 HydrophobicContact CB-CZ 3.48Å; L103-F143 VanDerWaalsContact CB-CZ 3.48Å; L103-F143 HydrophobicContact CD1-CD1 4.44Å; L103-F143 HydrophobicContact CD1-CE1 4.04Å; L103-F143 HydrophobicContact CD1-CE2 4.44Å; L103-F143 HydrophobicContact CD1-CZ 4.02Å; L103-F143 HydrophobicContact CG-CZ 4.42Å; M107-F143 HydrophobicContact CE-CE1 3.81Å; M107-F143 HydrophobicContact CE-CE2 4.42Å; M107-F143 HydrophobicContact CE-CZ 3.38Å; M107-F143 HydrophobicContact SD-CE1 4.25Å; M107-F143 HydrophobicContact SD-CZ 4.4Å; L123-F143 HydrophobicContact CD2-CB 4.33Å; L123-F143 HydrophobicContact CD2-CD1 3.79Å; L123-F143 HydrophobicContact CD2-CG 4.42Å; E139-F143 PolarHBondContact O-N 2.87Å; G140-F143 PolarHBondContact O-N 2.82Å; F143-R145 VanDerWaalsContact C-N 3.3Å; F143-R145 PolarHBondContact O-N 2.87Å; F143-L146 WeakPolarHBondContact O-CB 3.39Å; F143-L146 PolarHBondContact O-N 2.72Å; F143-L146 VanDerWaalsContact O-N 3.14Å; F143-Y147 AromaticContact CD1-CD2 3.81Å; F143-Y147 HydrophobicContact CD1-CD2 3.81Å; F143-Y147 HydrophobicContact CD1-CE2 4.3Å; F143-Y147 HydrophobicContact CD2-CE2 4.36Å; F143-Y147 AromaticContact CE1-CD2 3.55Å; F143-Y147 HydrophobicContact CE1-CD2 3.55Å; F143-Y147 AromaticContact CE1-CE2 3.86Å; F143-Y147 HydrophobicContact CE1-CE2 3.86Å; F143-Y147 HydrophobicContact CE1-CG 4.44Å; F143-Y147 HydrophobicContact CE2-CD2 4.39Å; F143-Y147 AromaticContact CE2-CE2 3.92Å; F143-Y147 HydrophobicContact CE2-CE2 3.92Å; F143-Y147 HydrophobicContact CG-CD2 4.36Å; F143-Y147 AromaticContact CZ-CD2 3.88Å; F143-Y147 HydrophobicContact CZ-CD2 3.88Å; F143-Y147 AromaticContact CZ-CE2 3.67Å; F143-Y147 HydrophobicContact CZ-CE2 3.67Å; F143-Y147 WeakPolarHBondContact O-CD2 3.48Å; F143-Y147 PolarHBondContact O-N 3.49Å; F143-M149 HydrophobicContact CD1-CE 4.31Å; F143-M149 HydrophobicContact CE1-CE 3.94Å
144S96.8Very high97.1Very high7 Ų767.1 Ų67.15%0.04931%0.311CS..Hα-helixtrans-62-38.3-179.2100.10000112G140 L141 Y147 N148 M149G140-S144 WeakPolarHBondContact O-CB 3.16Å; G140-S144 PolarHBondContact O-N 3.24Å; L141-S144 PolarHBondContact O-N 3.44Å; L141-S144 PolarHBondContact O-OG 3.46Å; S144-Y147 CarbonylContact O-C 3.58Å; S144-Y147 PolarHBondContact O-N 3.44Å; S144-N148 PolarHBondContact O-N 3.24Å; S144-M149 CarbonylContact C-O 3.57Å; S144-M149 WeakPolarHBondContact CB-O 3.49Å; S144-M149 PolarHBondContact O-N 3.3Å; S144-M149 PolarHBondContact OG-O 3.21Å
145R96.6Very high97.1Very high192 Ų19262 Ų6273%0.72529%0.287SS*.Hα-helixtrans-63.6-42.1174.1-72.6172.2-170.8178.44112.4L141 R142 F143 Y147 N148L141-R145 VanDerWaalsContact O-CG 3.26Å; L141-R145 WeakPolarHBondContact O-CG 3.32Å; L141-R145 PolarHBondContact O-N 2.55Å; R142-R145 PolarHBondContact O-N 3.33Å; F143-R145 VanDerWaalsContact C-N 3.3Å; F143-R145 PolarHBondContact O-N 2.87Å; R145-Y147 PolarHBondContact O-N 2.85Å; R145-N148 PolarHBondContact O-N 2.74Å
146L94.7Very high97.1Very high131 Ų13162.2 Ų62.269%0.68629%0.288SS*.Hα-helixtrans-58.7-36.4179-179.462.4000112R142 F143R142-L146 PolarHBondContact O-N 3.3Å; R142-L146 VanDerWaalsContact O-N 3.16Å; F143-L146 WeakPolarHBondContact O-CB 3.39Å; F143-L146 PolarHBondContact O-N 2.72Å; F143-L146 VanDerWaalsContact O-N 3.14Å
147Y92.4Very high97.2Very high81 Ų8166 Ų6632%0.31830%0.3SS..THydrogen-bonded Turntrans-102.99.2-178.5-69.7-79.5000114.4N104 M107 F143 S144 R145 M149N104-Y147 PolarHBondContact OD1-OH 2.89Å; M107-Y147 HydrophobicContact CE-CD1 3.75Å; M107-Y147 HydrophobicContact CE-CD2 3.79Å; M107-Y147 HydrophobicContact CE-CE1 3.38Å; M107-Y147 HydrophobicContact CE-CE2 3.45Å; M107-Y147 VanDerWaalsContact CE-CE2 3.45Å; M107-Y147 HydrophobicContact CE-CG 3.94Å; M107-Y147 HydrophobicContact SD-CD1 3.36Å; M107-Y147 WeakPolarHBondContact SD-CD1 3.48Å; M107-Y147 HydrophobicContact SD-CD2 3.95Å; M107-Y147 HydrophobicContact SD-CE1 3.62Å; M107-Y147 HydrophobicContact SD-CE2 4.2Å; M107-Y147 HydrophobicContact SD-CG 3.54Å; M107-Y147 VanDerWaalsContact SD-CG 3.54Å; F143-Y147 AromaticContact CD1-CD2 3.81Å; F143-Y147 HydrophobicContact CD1-CD2 3.81Å; F143-Y147 HydrophobicContact CD1-CE2 4.3Å; F143-Y147 HydrophobicContact CD2-CE2 4.36Å; F143-Y147 AromaticContact CE1-CD2 3.55Å; F143-Y147 HydrophobicContact CE1-CD2 3.55Å; F143-Y147 AromaticContact CE1-CE2 3.86Å; F143-Y147 HydrophobicContact CE1-CE2 3.86Å; F143-Y147 HydrophobicContact CE1-CG 4.44Å; F143-Y147 HydrophobicContact CE2-CD2 4.39Å; F143-Y147 AromaticContact CE2-CE2 3.92Å; F143-Y147 HydrophobicContact CE2-CE2 3.92Å; F143-Y147 HydrophobicContact CG-CD2 4.36Å; F143-Y147 AromaticContact CZ-CD2 3.88Å; F143-Y147 HydrophobicContact CZ-CD2 3.88Å; F143-Y147 AromaticContact CZ-CE2 3.67Å; F143-Y147 HydrophobicContact CZ-CE2 3.67Å; F143-Y147 WeakPolarHBondContact O-CD2 3.48Å; F143-Y147 PolarHBondContact O-N 3.49Å; S144-Y147 CarbonylContact O-C 3.58Å; S144-Y147 PolarHBondContact O-N 3.44Å; R145-Y147 PolarHBondContact O-N 2.85Å; Y147-M149 VanDerWaalsContact C-N 3.3Å; Y147-M149 VanDerWaalsContact CB-CE 3.46Å; Y147-M149 HydrophobicContact CD2-CE 4.47Å; Y147-M149 HydrophobicContact CG-CE 4.12Å; Y147-M149 PolarHBondContact O-N 3.3Å
148N94Very high97.2Very high153 Ų15363.1 Ų63.182%0.81830%0.298SS*.THydrogen-bonded Turntrans51.445.7-177.2-167.337.5000113.5S144 R145S144-N148 PolarHBondContact O-N 3.24Å; R145-N148 PolarHBondContact O-N 2.74Å
149M95.7Very high97.2Very high9 Ų958.5 Ų58.54%0.04428%0.28CS..  trans-112.4135.8178-61.9-170.4-77.600110.4F90 M107 K121 L123 F143 S144 Y147F90-M149 HydrophobicContact CD2-SD 4.02Å; F90-M149 HydrophobicContact CE2-SD 4.28Å; M107-M149 HydrophobicContact SD-CE 3.83Å; K121-M149 HydrophobicContact CB-CG 3.82Å; K121-M149 HydrophobicContact CB-SD 3.59Å; K121-M149 VanDerWaalsContact CB-SD 3.59Å; L123-M149 HydrophobicContact CB-CE 4.46Å; F143-M149 HydrophobicContact CD1-CE 4.31Å; F143-M149 HydrophobicContact CE1-CE 3.94Å; S144-M149 CarbonylContact C-O 3.57Å; S144-M149 WeakPolarHBondContact CB-O 3.49Å; S144-M149 PolarHBondContact O-N 3.3Å; S144-M149 PolarHBondContact OG-O 3.21Å; Y147-M149 VanDerWaalsContact C-N 3.3Å; Y147-M149 VanDerWaalsContact CB-CE 3.46Å; Y147-M149 HydrophobicContact CD2-CE 4.47Å; Y147-M149 HydrophobicContact CG-CE 4.12Å; Y147-M149 PolarHBondContact O-N 3.3Å
150P97Very high97.2Very high34 Ų3462.1 Ų62.122%0.22130%0.297CS..  trans-56.5144.7161.9-21.233.3000110.6K121 L122 L123K121-P150 VanDerWaalsContact O-CD 3.3Å; K121-P150 WeakPolarHBondContact O-CD 3.47Å; L122-P150 HydrophobicContact CD2-CB 4.49Å; L122-P150 HydrophobicContact CG-CB 4.45Å; L122-P150 HydrophobicContact CG-CG 4.45Å; L123-P150 PolarHBondContact N-O 3.25Å
151Y98.3Very high97.2Very high35 Ų3563.4 Ų63.414%0.13731%0.311CS..EExtended strand (participates in β ladder)trans-117.4132.3177.5179.6-124.1000110.7F92 L123 R137 L141 E153F92-Y151 AromaticContact CE1-CE2 3.83Å; F92-Y151 HydrophobicContact CE1-CE2 3.83Å; F92-Y151 AromaticContact CZ-CE2 3.95Å; F92-Y151 HydrophobicContact CZ-CE2 3.95Å; L123-Y151 HydrophobicContact CB-CD2 4.05Å; L123-Y151 HydrophobicContact CD2-CD2 3.75Å; L123-Y151 HydrophobicContact CD2-CE2 4.15Å; L123-Y151 HydrophobicContact CG-CD2 3.75Å; L123-Y151 HydrophobicContact CG-CE2 4.15Å; L123-Y151 WeakPolarHBondContact O-CA 3.21Å; L123-Y151 WeakPolarHBondContact O-CD2 3.46Å; R137-Y151 HydrophobicContact CG-CE1 4Å; L141-Y151 HydrophobicContact CD2-CD1 3.75Å; L141-Y151 HydrophobicContact CD2-CG 4.44Å; L141-Y151 HydrophobicContact CG-CD1 3.75Å; L141-Y151 HydrophobicContact CG-CE1 4.27Å; Y151-E153 HydrophobicContact CE1-CG 3.95Å; Y151-E153 WeakPolarHBondContact OH-CG 3.05Å; Y151-E153 PolarHBondContact OH-OE1 3.04Å; Y151-E153 VanDerWaalsContact OH-OE1 3.11Å
152A98.3Very high97.3Very high31 Ų3161.2 Ų61.226%0.25630%0.299SS..EExtended strand (participates in β ladder)trans-128.4157.6171.200000110.4L123 V124 G125L123-A152 PolarHBondContact O-N 3.47Å; V124-A152 VanDerWaalsContact CA-O 3.31Å; V124-A152 WeakPolarHBondContact CA-O 3.43Å; G125-A152 PolarHBondContact N-O 2.93Å
153E98.6Very high97.2Very high38 Ų3857.5 Ų57.518%0.17829%0.292CS..EExtended strand (participates in β ladder)trans-116.6141.6170.2-79.7-167.216700109.1G125 I128 R133 Y151G125-E153 CarbonylContact O-C 3.6Å; G125-E153 VanDerWaalsContact O-CA 3.28Å; G125-E153 WeakPolarHBondContact O-CA 3.43Å; I128-E153 HydrophobicContact CD1-CB 4.25Å; I128-E153 HydrophobicContact CG2-CB 3.74Å; I128-E153 HydrophobicContact CG2-CG 4.06Å; R133-E153 IonicContact CZ-OE1 2.71Å; R133-E153 VanDerWaalsContact CZ-OE1 3.31Å; R133-E153 IonicContact CZ-OE2 3.99Å; R133-E153 IonicContact NH1-OE1 3.8Å; R133-E153 PolarHBondContact NH1-OE1 3.38Å; R133-E153 IonicContact NH1-OE2 4Å; R133-E153 IonicContact NH2-OE1 3.84Å; R133-E153 PolarHBondContact NH2-OE1 2.89Å; R133-E153 IonicContact NH2-OE2 3.04Å; R133-E153 PolarHBondContact NH2-OE2 3.44Å; Y151-E153 HydrophobicContact CE1-CG 3.95Å; Y151-E153 WeakPolarHBondContact OH-CG 3.05Å; Y151-E153 PolarHBondContact OH-OE1 3.04Å; Y151-E153 VanDerWaalsContact OH-OE1 3.11Å
154T98.8Very high97.3Very high0 Ų063 Ų630%032%0.318CS..EExtended strand (participates in β ladder)trans-141.2157.4-175.559.70000112.7L27 V124 G125 N126 K127 I128 E160 L165L27-T154 HydrophobicContact CD2-CG2 4.49Å; V124-T154 HydrophobicContact CG1-CG2 3.85Å; V124-T154 VanDerWaalsContact CG1-OG1 3.26Å; V124-T154 WeakPolarHBondContact CG1-OG1 3.28Å; G125-T154 PolarHBondContact O-N 3.34Å; N126-T154 CarbonylContact C-O 3.57Å; N126-T154 VanDerWaalsContact CA-O 3.28Å; N126-T154 WeakPolarHBondContact CA-O 3.19Å; N126-T154 PolarHBondContact OD1-O 3.3Å; N126-T154 PolarHBondContact OD1-OG1 3.45Å; K127-T154 PolarHBondContact N-O 3.45Å; I128-T154 WeakPolarHBondContact CG1-O 3.21Å; I128-T154 PolarHBondContact N-O 2.91Å; T154-E160 CarbonylContact C-O 3.55Å; T154-E160 VanDerWaalsContact CA-O 3.28Å; T154-E160 WeakPolarHBondContact CA-O 3.08Å; T154-L165 HydrophobicContact CG2-CB 4.23Å; T154-L165 HydrophobicContact CG2-CD2 4.02Å
155S98.6Very high97.4Very high0 Ų062.8 Ų62.80%032%0.317CS..  trans-132.9113.2161.1171.80000109.4D129 K157 T158 S159 E160D129-S155 VanDerWaalsContact CG-OG 3.3Å; D129-S155 VanDerWaalsContact OD1-CB 3.31Å; D129-S155 WeakPolarHBondContact OD1-CB 3.25Å; D129-S155 PolarHBondContact OD1-OG 3.27Å; S155-K157 PolarHBondContact O-N 3.35Å; S155-K157 PolarHBondContact OG-N 3Å; S155-T158 WeakPolarHBondContact CB-OG1 2.82Å; S155-T158 PolarHBondContact OG-N 3.26Å; S155-T158 PolarHBondContact OG-OG1 3.14Å; S155-S159 CarbonylContact O-C 3.35Å; S155-S159 VanDerWaalsContact O-CA 3.27Å; S155-S159 WeakPolarHBondContact O-CA 3.42Å; S155-S159 PolarHBondContact O-N 2.98Å; S155-E160 PolarHBondContact N-O 3.39Å; S155-E160 PolarHBondContact O-N 3.04Å
156A98.4Very high97.4Very high4 Ų453.7 Ų53.73%0.03328%0.282CS..THydrogen-bonded Turntrans-60.6-29.2169.100000112.4L27 R30 F36 N126L27-A156 HydrophobicContact CD2-CB 4.04Å; L27-A156 HydrophobicContact CG-CB 4.29Å; R30-A156 HydrophobicContact CB-CB 4.46Å; R30-A156 PolarHBondContact NE-O 2.83Å; F36-A156 HydrophobicContact CD2-CB 4.04Å; F36-A156 WeakPolarHBondContact CD2-O 3.49Å; F36-A156 HydrophobicContact CE2-CB 4.2Å; N126-A156 PolarHBondContact OD1-N 3.35Å
157K98.1Very high97.5Very high118 Ų11850.2 Ų50.251%0.51327%0.269SS..THydrogen-bonded Turntrans-69.2-51.1-179-173.3-171.8-174.4-179.50111.4R30 F36 D129 S155R30-K157 PolarHBondContact NH2-O 3.38Å; F36-K157 HydrophobicContact CD1-CB 4.35Å; F36-K157 HydrophobicContact CD1-CG 4.1Å; F36-K157 HydrophobicContact CD2-CB 4.26Å; F36-K157 HydrophobicContact CE1-CB 4.01Å; F36-K157 HydrophobicContact CE1-CG 3.72Å; F36-K157 HydrophobicContact CE2-CB 3.89Å; F36-K157 HydrophobicContact CG-CB 4.47Å; F36-K157 HydrophobicContact CZ-CB 3.76Å; F36-K157 HydrophobicContact CZ-CG 3.96Å; D129-K157 WeakPolarHBondContact OD2-CD 3.5Å; D129-K157 IonicContact OD2-NZ 2.76Å; S155-K157 PolarHBondContact O-N 3.35Å; S155-K157 PolarHBondContact OG-N 3Å
158T98Very high97.7Very high79 Ų7948.3 Ų48.349%0.48526%0.264SS..THydrogen-bonded Turntrans-91.5-4.7-177.967.20000113.5D129 S155 E160D129-T158 HydrophobicContact CB-CG2 3.88Å; S155-T158 WeakPolarHBondContact CB-OG1 2.82Å; S155-T158 PolarHBondContact OG-N 3.26Å; S155-T158 PolarHBondContact OG-OG1 3.14Å; T158-E160 PolarHBondContact O-N 3.03Å; T158-E160 WeakPolarHBondContact OG1-CB 3.08Å; T158-E160 PolarHBondContact OG1-N 3.16Å
159S98.2Very high97.9Very high34 Ų3441 Ų4124%0.23823%0.225CC..  trans70.51-172.3-158.30000114.5R30 S155 G161 V162R30-S159 WeakPolarHBondContact CD-OG 3.16Å; S155-S159 CarbonylContact O-C 3.35Å; S155-S159 VanDerWaalsContact O-CA 3.27Å; S155-S159 WeakPolarHBondContact O-CA 3.42Å; S155-S159 PolarHBondContact O-N 2.98Å; S159-G161 PolarHBondContact O-N 2.74Å; S159-V162 PolarHBondContact O-N 3.11Å
160E98.6Very high97.9Very high120 Ų12041 Ų4156%0.56123%0.225SC*.THydrogen-bonded Turntrans-61.1130.2-178.9-170.2175.1160.900111.6I128 T154 S155 T158 V162I128-E160 HydrophobicContact CD1-CB 4.39Å; I128-E160 HydrophobicContact CD1-CG 4.04Å; T154-E160 CarbonylContact C-O 3.55Å; T154-E160 VanDerWaalsContact CA-O 3.28Å; T154-E160 WeakPolarHBondContact CA-O 3.08Å; S155-E160 PolarHBondContact N-O 3.39Å; S155-E160 PolarHBondContact O-N 3.04Å; T158-E160 PolarHBondContact O-N 3.03Å; T158-E160 WeakPolarHBondContact OG1-CB 3.08Å; T158-E160 PolarHBondContact OG1-N 3.16Å; E160-V162 PolarHBondContact O-N 2.92Å
161G98.3Very high97.8Very high28 Ų2842 Ų4229%0.28923%0.231SC..THydrogen-bonded Turntrans71-10.6177.900000115.9S159 Q164 L165S159-G161 PolarHBondContact O-N 2.74Å; G161-Q164 PolarHBondContact O-N 2.84Å; G161-L165 WeakPolarHBondContact O-CB 3.35Å; G161-L165 PolarHBondContact O-N 2.99Å
162V98.5Very high97.7Very high0 Ų044.4 Ų44.40%024%0.24CC..Hα-helixtrans-65-53.7-170.2-178.60000112.2L27 R30 S159 E160 Q164 L165 F166L27-V162 HydrophobicContact CD2-CG1 4.43Å; L27-V162 HydrophobicContact CD2-CG2 3.78Å; R30-V162 HydrophobicContact CB-CG1 4.27Å; R30-V162 HydrophobicContact CG-CB 4.14Å; R30-V162 HydrophobicContact CG-CG1 3.9Å; R30-V162 HydrophobicContact CG-CG2 3.94Å; S159-V162 PolarHBondContact O-N 3.11Å; E160-V162 PolarHBondContact O-N 2.92Å; V162-Q164 VanDerWaalsContact C-N 3.28Å; V162-Q164 PolarHBondContact O-N 2.6Å; V162-L165 WeakPolarHBondContact O-CB 3.2Å; V162-L165 PolarHBondContact O-N 3.06Å; V162-F166 HydrophobicContact CG1-CD2 4.11Å; V162-F166 HydrophobicContact CG1-CE2 3.96Å; V162-F166 VanDerWaalsContact O-CD2 3.28Å; V162-F166 WeakPolarHBondContact O-CD2 3.5Å; V162-F166 PolarHBondContact O-N 2.99Å
163N97.3Very high97.5Very high95 Ų9542.9 Ų42.951%0.50823%0.228SC..Hα-helixtrans-62.6-37.3178.5-76.3-57.4000112.2F166 S167N163-F166 PolarHBondContact O-N 2.81Å; N163-S167 VanDerWaalsContact O-CB 3.26Å; N163-S167 WeakPolarHBondContact O-CB 3.36Å; N163-S167 PolarHBondContact O-N 3.4Å
164Q97.8Very high97.2Very high133 Ų13343.1 Ų43.162%0.62123%0.227SC*.Hα-helixtrans-64.9-40.9178.9-172.958.656.100111.7G161 V162 S167 D168G161-Q164 PolarHBondContact O-N 2.84Å; V162-Q164 VanDerWaalsContact C-N 3.28Å; V162-Q164 PolarHBondContact O-N 2.6Å; Q164-S167 PolarHBondContact O-N 2.84Å; Q164-D168 WeakPolarHBondContact O-CB 3.42Å; Q164-D168 PolarHBondContact O-N 2.88Å
165L98.3Very high96.9Very high4 Ų448.6 Ų48.62%0.02126%0.257CS..Hα-helixtrans-57.1-55.6175.2168.361.9000111.4V89 L122 V124 T154 G161 V162 S167 D168 V169V89-L165 HydrophobicContact CG1-CD1 4.35Å; V89-L165 HydrophobicContact CG1-CD2 4.36Å; V89-L165 HydrophobicContact CG2-CD1 4.31Å; L122-L165 HydrophobicContact CD2-CD1 4.29Å; V124-L165 HydrophobicContact CG1-CD2 4.14Å; V124-L165 HydrophobicContact CG2-CD1 3.42Å; V124-L165 VanDerWaalsContact CG2-CD1 3.42Å; V124-L165 HydrophobicContact CG2-CD2 3.74Å; V124-L165 HydrophobicContact CG2-CG 4.22Å; T154-L165 HydrophobicContact CG2-CB 4.23Å; T154-L165 HydrophobicContact CG2-CD2 4.02Å; G161-L165 WeakPolarHBondContact O-CB 3.35Å; G161-L165 PolarHBondContact O-N 2.99Å; V162-L165 WeakPolarHBondContact O-CB 3.2Å; V162-L165 PolarHBondContact O-N 3.06Å; L165-S167 VanDerWaalsContact C-N 3.34Å; L165-S167 PolarHBondContact O-N 3.43Å; L165-D168 PolarHBondContact O-N 2.68Å; L165-V169 HydrophobicContact CD1-CG2 4.42Å; L165-V169 WeakPolarHBondContact O-CG2 3.43Å; L165-V169 PolarHBondContact O-N 2.64Å
166F97.8Very high96.5Very high0 Ų053.6 Ų53.60%028%0.28CS..Hα-helixtrans-69-33-176.7-71.8-79.4000112.3L14 L16 Y31 I65 V162 N163 V170L14-F166 HydrophobicContact CD2-CD1 3.74Å; L14-F166 HydrophobicContact CD2-CE1 3.69Å; L16-F166 HydrophobicContact CD2-CE1 4.34Å; L16-F166 HydrophobicContact CD2-CZ 4.49Å; Y31-F166 VanDerWaalsContact CB-CE2 3.41Å; Y31-F166 HydrophobicContact CD1-CB 4.08Å; Y31-F166 AromaticContact CD1-CD1 3.84Å; Y31-F166 HydrophobicContact CD1-CD1 3.84Å; Y31-F166 AromaticContact CD1-CD2 3.71Å; Y31-F166 HydrophobicContact CD1-CD2 3.71Å; Y31-F166 HydrophobicContact CD1-CE1 4.16Å; Y31-F166 HydrophobicContact CD1-CE2 4.06Å; Y31-F166 AromaticContact CD1-CG 3.6Å; Y31-F166 HydrophobicContact CD1-CG 3.6Å; Y31-F166 HydrophobicContact CD1-CZ 4.27Å; Y31-F166 HydrophobicContact CD2-CB 3.82Å; Y31-F166 AromaticContact CD2-CD2 3.56Å; Y31-F166 HydrophobicContact CD2-CD2 3.56Å; Y31-F166 HydrophobicContact CD2-CE2 4.36Å; Y31-F166 AromaticContact CD2-CG 3.85Å; Y31-F166 HydrophobicContact CD2-CG 3.85Å; Y31-F166 HydrophobicContact CE1-CB 3.78Å; Y31-F166 AromaticContact CE1-CD1 3.98Å; Y31-F166 HydrophobicContact CE1-CD1 3.98Å; Y31-F166 HydrophobicContact CE1-CD2 4.3Å; Y31-F166 AromaticContact CE1-CG 3.77Å; Y31-F166 HydrophobicContact CE1-CG 3.77Å; Y31-F166 HydrophobicContact CE2-CB 3.51Å; Y31-F166 HydrophobicContact CE2-CD2 4.18Å; Y31-F166 HydrophobicContact CE2-CG 4.02Å; Y31-F166 HydrophobicContact CG-CB 4.1Å; Y31-F166 HydrophobicContact CG-CD1 4.29Å; Y31-F166 AromaticContact CG-CD2 3.28Å; Y31-F166 HydrophobicContact CG-CD2 3.28Å; Y31-F166 AromaticContact CG-CE2 3.7Å; Y31-F166 HydrophobicContact CG-CE2 3.7Å; Y31-F166 AromaticContact CG-CG 3.64Å; Y31-F166 HydrophobicContact CG-CG 3.64Å; Y31-F166 HydrophobicContact CG-CZ 4.34Å; Y31-F166 VanDerWaalsContact CZ-CB 3.47Å; Y31-F166 AromaticContact CZ-CG 3.97Å; I65-F166 HydrophobicContact CD1-CD1 4.12Å; I65-F166 HydrophobicContact CD1-CE1 3.91Å; I65-F166 HydrophobicContact CG2-CE1 4.45Å; V162-F166 HydrophobicContact CG1-CD2 4.11Å; V162-F166 HydrophobicContact CG1-CE2 3.96Å; V162-F166 VanDerWaalsContact O-CD2 3.28Å; V162-F166 WeakPolarHBondContact O-CD2 3.5Å; V162-F166 PolarHBondContact O-N 2.99Å; N163-F166 PolarHBondContact O-N 2.81Å; F166-V170 VanDerWaalsContact O-CG2 3.31Å; F166-V170 WeakPolarHBondContact O-CG2 3.35Å; F166-V170 PolarHBondContact O-N 3.43Å; F166-V170 VanDerWaalsContact O-N 3.08Å
167S96.4Very high95.4Very high59 Ų5955.9 Ų55.941%0.41330%0.295SS..Hα-helixtrans-65.2-41.8172.9-175.70000112.4N163 Q164 L165 V170 T171N163-S167 VanDerWaalsContact O-CB 3.26Å; N163-S167 WeakPolarHBondContact O-CB 3.36Å; N163-S167 PolarHBondContact O-N 3.4Å; Q164-S167 PolarHBondContact O-N 2.84Å; L165-S167 VanDerWaalsContact C-N 3.34Å; L165-S167 PolarHBondContact O-N 3.43Å; S167-V170 PolarHBondContact O-N 3.39Å; S167-T171 WeakPolarHBondContact O-CB 3.19Å; S167-T171 PolarHBondContact O-N 3.34Å; S167-T171 PolarHBondContact O-OG1 3.4Å
168D97.1Very high94.3Very high40 Ų4056.7 Ų56.721%0.21430%0.301CS..Hα-helixtrans-63.1-44176.3-172.835000111.1Q164 L165 V170 T171 R172Q164-D168 WeakPolarHBondContact O-CB 3.42Å; Q164-D168 PolarHBondContact O-N 2.88Å; L165-D168 PolarHBondContact O-N 2.68Å; D168-V170 PolarHBondContact O-N 2.74Å; D168-T171 PolarHBondContact O-N 2.89Å; D168-R172 WeakPolarHBondContact O-CB 3.34Å; D168-R172 VanDerWaalsContact O-CG 3.26Å; D168-R172 WeakPolarHBondContact O-CG 3.29Å; D168-R172 PolarHBondContact O-N 3.19Å; D168-R172 IonicContact OD1-CZ 3.7Å; D168-R172 IonicContact OD1-NE 3.31Å; D168-R172 PolarHBondContact OD1-NE 3.15Å; D168-R172 IonicContact OD1-NH2 2.93Å; D168-R172 PolarHBondContact OD1-NH2 3.21Å; D168-R172 IonicContact OD2-CZ 2.65Å; D168-R172 IonicContact OD2-NE 2.68Å; D168-R172 PolarHBondContact OD2-NE 3.25Å; D168-R172 IonicContact OD2-NH2 3.76Å; D168-R172 PolarHBondContact OD2-NH2 3.28Å; D168-R172 VanDerWaalsContact OD2-NH2 3.1Å
169V97Very high93.2Very high0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-55.4-52.5173.91720000111.4L14 A87 V89 L122 L165 T171 R172 I173L14-V169 HydrophobicContact CD1-CG1 3.97Å; L14-V169 HydrophobicContact CD2-CG1 4.1Å; L14-V169 HydrophobicContact CG-CG1 4.48Å; A87-V169 HydrophobicContact CB-CG1 3.86Å; V89-V169 HydrophobicContact CG2-CG2 3.72Å; L122-V169 HydrophobicContact CD1-CG2 3.77Å; L122-V169 HydrophobicContact CD2-CG2 3.85Å; L122-V169 HydrophobicContact CG-CG2 4.44Å; L165-V169 HydrophobicContact CD1-CG2 4.42Å; L165-V169 WeakPolarHBondContact O-CG2 3.43Å; L165-V169 PolarHBondContact O-N 2.64Å; V169-T171 VanDerWaalsContact C-N 3.32Å; V169-T171 PolarHBondContact O-N 2.85Å; V169-R172 PolarHBondContact O-N 3.49Å; V169-I173 HydrophobicContact CG1-CD1 3.78Å; V169-I173 HydrophobicContact CG1-CG1 4.47Å; V169-I173 VanDerWaalsContact O-CG1 3.32Å; V169-I173 WeakPolarHBondContact O-CG1 3.37Å; V169-I173 PolarHBondContact O-N 2.87Å
170V96.4Very high92Very high8 Ų853.2 Ų53.25%0.04827%0.274CS..Hα-helixtrans-59.7-45.6-178.9170.20000110.6F12 V53 V55 I61 L63 F166 S167 D168 R172 I173 Y174F12-V170 HydrophobicContact CD2-CG1 4.5Å; F12-V170 HydrophobicContact CE2-CG1 4.34Å; V53-V170 HydrophobicContact CG2-CG1 3.9Å; V53-V170 HydrophobicContact CG2-CG2 4.08Å; V55-V170 HydrophobicContact CG1-CG1 3.84Å; I61-V170 HydrophobicContact CD1-CG1 3.66Å; L63-V170 HydrophobicContact CD1-CG2 4.35Å; L63-V170 HydrophobicContact CD2-CG2 3.85Å; F166-V170 VanDerWaalsContact O-CG2 3.31Å; F166-V170 WeakPolarHBondContact O-CG2 3.35Å; F166-V170 PolarHBondContact O-N 3.43Å; F166-V170 VanDerWaalsContact O-N 3.08Å; S167-V170 PolarHBondContact O-N 3.39Å; D168-V170 PolarHBondContact O-N 2.74Å; V170-R172 PolarHBondContact O-N 3.11Å; V170-I173 PolarHBondContact O-N 3.04Å; V170-Y174 VanDerWaalsContact O-CB 3.27Å; V170-Y174 WeakPolarHBondContact O-CB 3.26Å; V170-Y174 PolarHBondContact O-N 3.04Å
171T95.1Very high90.6Very high55 Ų5549.8 Ų49.834%0.33726%0.26SS..Hα-helixtrans-63.2-42.9-179.3-58.30000111.6S167 D168 V169 Y174 N175S167-T171 WeakPolarHBondContact O-CB 3.19Å; S167-T171 PolarHBondContact O-N 3.34Å; S167-T171 PolarHBondContact O-OG1 3.4Å; D168-T171 PolarHBondContact O-N 2.89Å; V169-T171 VanDerWaalsContact C-N 3.32Å; V169-T171 PolarHBondContact O-N 2.85Å; T171-Y174 PolarHBondContact O-N 3.22Å; T171-N175 WeakPolarHBondContact O-CB 3.19Å; T171-N175 VanDerWaalsContact O-CG 3.23Å; T171-N175 PolarHBondContact O-N 3.35Å; T171-N175 PolarHBondContact O-ND2 2.88Å
172R95.3Very high88.6Confident86 Ų8654.3 Ų54.333%0.32527%0.274SS..Hα-helixtrans-63.9-48.6176.9-71.1174.2-172.3-74.6-8.4111.8I120 D168 V169 V170 Y174 N175 H176I120-R172 HydrophobicContact CG1-CB 4.4Å; I120-R172 HydrophobicContact CG2-CB 3.9Å; D168-R172 WeakPolarHBondContact O-CB 3.34Å; D168-R172 VanDerWaalsContact O-CG 3.26Å; D168-R172 WeakPolarHBondContact O-CG 3.29Å; D168-R172 PolarHBondContact O-N 3.19Å; D168-R172 IonicContact OD1-CZ 3.7Å; D168-R172 IonicContact OD1-NE 3.31Å; D168-R172 PolarHBondContact OD1-NE 3.15Å; D168-R172 IonicContact OD1-NH2 2.93Å; D168-R172 PolarHBondContact OD1-NH2 3.21Å; D168-R172 IonicContact OD2-CZ 2.65Å; D168-R172 IonicContact OD2-NE 2.68Å; D168-R172 PolarHBondContact OD2-NE 3.25Å; D168-R172 IonicContact OD2-NH2 3.76Å; D168-R172 PolarHBondContact OD2-NH2 3.28Å; D168-R172 VanDerWaalsContact OD2-NH2 3.1Å; V169-R172 PolarHBondContact O-N 3.49Å; V170-R172 PolarHBondContact O-N 3.11Å; R172-Y174 VanDerWaalsContact C-N 3.26Å; R172-Y174 PolarHBondContact O-N 2.98Å; R172-N175 PolarHBondContact O-N 3.14Å; R172-H176 PolarHBondContact O-CD2 3.36Å; R172-H176 VanDerWaalsContact O-CD2 3.22Å; R172-H176 PolarHBondContact O-N 3.2Å; R172-H176 VanDerWaalsContact O-N 3.11Å
173I94.9Very high86.4Confident0 Ų056.6 Ų56.60%030%0.297CS..Hα-helixtrans-59.3-43.3176.8-59.8163.5000109.9F12 H86 A87 I120 V169 V170 N175 H176 L179 W180F12-I173 HydrophobicContact CB-CD1 4.12Å; F12-I173 HydrophobicContact CD1-CG2 3.6Å; F12-I173 HydrophobicContact CD2-CB 3.77Å; F12-I173 HydrophobicContact CD2-CD1 3.94Å; F12-I173 HydrophobicContact CD2-CG2 3.65Å; F12-I173 HydrophobicContact CE1-CG2 3.58Å; F12-I173 HydrophobicContact CE2-CB 3.67Å; F12-I173 HydrophobicContact CE2-CG2 3.6Å; F12-I173 HydrophobicContact CG-CB 4.27Å; F12-I173 HydrophobicContact CG-CD1 4.17Å; F12-I173 HydrophobicContact CG-CG2 3.67Å; F12-I173 HydrophobicContact CZ-CB 4.11Å; F12-I173 HydrophobicContact CZ-CG2 3.59Å; H86-I173 HydrophobicContact CB-CD1 4Å; H86-I173 HydrophobicContact CB-CG1 4.15Å; H86-I173 HydrophobicContact CB-CG2 3.77Å; A87-I173 HydrophobicContact CB-CD1 3.7Å; A87-I173 HydrophobicContact CB-CG1 3.93Å; I120-I173 HydrophobicContact CG1-CG1 4.42Å; V169-I173 HydrophobicContact CG1-CD1 3.78Å; V169-I173 HydrophobicContact CG1-CG1 4.47Å; V169-I173 VanDerWaalsContact O-CG1 3.32Å; V169-I173 WeakPolarHBondContact O-CG1 3.37Å; V169-I173 PolarHBondContact O-N 2.87Å; V170-I173 PolarHBondContact O-N 3.04Å; I173-N175 PolarHBondContact O-N 2.71Å; I173-H176 CarbonylContact O-C 3.59Å; I173-H176 PolarHBondContact O-N 3.43Å; I173-L179 HydrophobicContact CG2-CB 4.4Å; I173-L179 HydrophobicContact CG2-CD1 4.39Å; I173-W180 VanDerWaalsContact O-CD1 3.27Å
174Y93.3Very high84Confident43 Ų4358 Ų5817%0.16930%0.299CS..Hα-helixtrans-60.7-44.9-179.6-169.5-106.3000112.7F12 V55 D57 T59 I61 V170 T171 R172 H176 W180F12-Y174 HydrophobicContact CZ-CD2 4.08Å; V55-Y174 HydrophobicContact CG1-CG 4.37Å; V55-Y174 HydrophobicContact CG2-CD1 4.41Å; V55-Y174 HydrophobicContact CG2-CD2 4.19Å; V55-Y174 HydrophobicContact CG2-CE1 4.15Å; V55-Y174 HydrophobicContact CG2-CE2 3.97Å; V55-Y174 HydrophobicContact CG2-CG 4.43Å; D57-Y174 PolarHBondContact OD1-OH 3.04Å; D57-Y174 WeakPolarHBondContact OD2-CE1 3.34Å; D57-Y174 VanDerWaalsContact OD2-CZ 3.3Å; D57-Y174 PolarHBondContact OD2-OH 3.46Å; T59-Y174 HydrophobicContact CG2-CE2 4.01Å; T59-Y174 PolarHBondContact OG1-OH 2.76Å; I61-Y174 HydrophobicContact CD1-CD2 4.09Å; V170-Y174 VanDerWaalsContact O-CB 3.27Å; V170-Y174 WeakPolarHBondContact O-CB 3.26Å; V170-Y174 PolarHBondContact O-N 3.04Å; T171-Y174 PolarHBondContact O-N 3.22Å; R172-Y174 VanDerWaalsContact C-N 3.26Å; R172-Y174 PolarHBondContact O-N 2.98Å; Y174-H176 VanDerWaalsContact C-N 3.29Å; Y174-H176 PolarHBondContact O-N 3.36Å; Y174-W180 HydrophobicContact CD2-CH2 4.48Å; Y174-W180 AromaticContact CD2-CZ2 3.82Å; Y174-W180 HydrophobicContact CD2-CZ2 3.82Å; Y174-W180 AromaticContact CE2-CH2 3.8Å; Y174-W180 HydrophobicContact CE2-CH2 3.8Å; Y174-W180 AromaticContact CE2-CZ2 3.48Å; Y174-W180 HydrophobicContact CE2-CZ2 3.48Å; Y174-W180 VanDerWaalsContact CE2-CZ2 3.48Å; Y174-W180 PolarHBondContact O-NE1 2.8Å
175N91.7Very high81.3Confident115 Ų11559.4 Ų59.462%0.61530%0.303SS*.Hα-helixtrans-72-21.9-179.8-68.3-19.1000113.3T171 R172 I173 S177T171-N175 WeakPolarHBondContact O-CB 3.19Å; T171-N175 VanDerWaalsContact O-CG 3.23Å; T171-N175 PolarHBondContact O-N 3.35Å; T171-N175 PolarHBondContact O-ND2 2.88Å; R172-N175 PolarHBondContact O-N 3.14Å; I173-N175 PolarHBondContact O-N 2.71Å; N175-S177 PolarHBondContact O-N 3.07Å
176H89.2Confident78.8Confident105 Ų10568.5 Ų68.549%0.48634%0.337SS..  trans-91.375.6172.8-77.7-82.6000110.5I120 R172 I173 Y174 E178 L179I120-H176 HydrophobicContact CD1-CB 4.41Å; I120-H176 VanDerWaalsContact CD1-CD2 3.48Å; I120-H176 WeakPolarHBondContact CD1-CD2 3.16Å; R172-H176 PolarHBondContact O-CD2 3.36Å; R172-H176 VanDerWaalsContact O-CD2 3.22Å; R172-H176 PolarHBondContact O-N 3.2Å; R172-H176 VanDerWaalsContact O-N 3.11Å; I173-H176 CarbonylContact O-C 3.59Å; I173-H176 PolarHBondContact O-N 3.43Å; Y174-H176 VanDerWaalsContact C-N 3.29Å; Y174-H176 PolarHBondContact O-N 3.36Å; H176-E178 PolarHBondContact O-N 2.98Å; H176-L179 HydrophobicContact CB-CD1 3.57Å; H176-L179 HydrophobicContact CB-CG 3.95Å; H176-L179 VanDerWaalsContact O-CB 3.27Å; H176-L179 WeakPolarHBondContact O-CB 3.43Å; H176-L179 PolarHBondContact O-N 3.03Å
177S75.3Confident76.6Confident51 Ų5171.4 Ų71.436%0.35736%0.361SS..G310 helixtrans-56.9-28.8-171.286.30000114.6N175 L179 W180 N181N175-S177 PolarHBondContact O-N 3.07Å; S177-L179 PolarHBondContact O-N 2.72Å; S177-L179 VanDerWaalsContact O-N 3.16Å; S177-W180 PolarHBondContact O-N 3.49Å; S177-N181 WeakPolarHBondContact CB-ND2 3.31Å; S177-N181 WeakPolarHBondContact O-CB 3.44Å; S177-N181 VanDerWaalsContact O-CG 3.26Å; S177-N181 PolarHBondContact O-N 3.24Å; S177-N181 PolarHBondContact O-ND2 3.16Å; S177-N181 PolarHBondContact OG-ND2 3.5Å
178E76.2Confident74.3Confident136 Ų13674.2 Ų74.264%0.63637%0.371SS*.G310 helixtrans-53.2-30.8172.3-62.5-75.8169.800112.8H176 Q182H176-E178 PolarHBondContact O-N 2.98Å; E178-Q182 WeakPolarHBondContact O-CG 3.24Å; E178-Q182 PolarHBondContact O-NE2 3Å
179L74.3Confident72Confident8 Ų876.2 Ų76.24%0.04239%0.385CS..G310 helixtrans-73.4-33.4-177.1-64176.7000112.7H86 D118 I120 I173 H176 S177H86-L179 PolarHBondContact CD2-O 3.23Å; H86-L179 PolarHBondContact NE2-O 3.35Å; D118-L179 HydrophobicContact CB-CD2 3.91Å; I120-L179 HydrophobicContact CD1-CD1 4Å; I120-L179 HydrophobicContact CG1-CD1 3.63Å; I173-L179 HydrophobicContact CG2-CB 4.4Å; I173-L179 HydrophobicContact CG2-CD1 4.39Å; H176-L179 HydrophobicContact CB-CD1 3.57Å; H176-L179 HydrophobicContact CB-CG 3.95Å; H176-L179 VanDerWaalsContact O-CB 3.27Å; H176-L179 WeakPolarHBondContact O-CB 3.43Å; H176-L179 PolarHBondContact O-N 3.03Å; S177-L179 PolarHBondContact O-N 2.72Å; S177-L179 VanDerWaalsContact O-N 3.16Å
180W74Confident69.8Low31 Ų3182 Ų8212%0.11742%0.416CS..THydrogen-bonded Turntrans-122.6-8-172.564.1-88.9000114.6V10 F12 I173 Y174 S177 Q182V10-W180 HydrophobicContact CB-CE3 4.31Å; V10-W180 HydrophobicContact CG1-CB 3.92Å; V10-W180 HydrophobicContact CG1-CD2 3.88Å; V10-W180 HydrophobicContact CG1-CE3 3.47Å; V10-W180 VanDerWaalsContact CG1-CE3 3.47Å; V10-W180 HydrophobicContact CG1-CG 4.11Å; V10-W180 HydrophobicContact CG1-CZ3 4.2Å; V10-W180 HydrophobicContact CG2-CE3 3.8Å; V10-W180 HydrophobicContact CG2-CZ3 3.68Å; F12-W180 HydrophobicContact CD1-CB 4.23Å; F12-W180 HydrophobicContact CE1-CB 3.54Å; F12-W180 AromaticContact CE1-CD1 3.85Å; F12-W180 HydrophobicContact CE1-CD2 4.27Å; F12-W180 AromaticContact CE1-CG 3.62Å; F12-W180 HydrophobicContact CE1-CG 3.62Å; F12-W180 HydrophobicContact CZ-CB 4.49Å; F12-W180 AromaticContact CZ-CD1 3.98Å; F12-W180 HydrophobicContact CZ-CG 4.13Å; I173-W180 VanDerWaalsContact O-CD1 3.27Å; Y174-W180 HydrophobicContact CD2-CH2 4.48Å; Y174-W180 AromaticContact CD2-CZ2 3.82Å; Y174-W180 HydrophobicContact CD2-CZ2 3.82Å; Y174-W180 AromaticContact CE2-CH2 3.8Å; Y174-W180 HydrophobicContact CE2-CH2 3.8Å; Y174-W180 AromaticContact CE2-CZ2 3.48Å; Y174-W180 HydrophobicContact CE2-CZ2 3.48Å; Y174-W180 VanDerWaalsContact CE2-CZ2 3.48Å; Y174-W180 PolarHBondContact O-NE1 2.8Å; S177-W180 PolarHBondContact O-N 3.49Å; W180-Q182 VanDerWaalsContact C-N 3.27Å; W180-Q182 PolarHBondContact O-N 3.29Å
181N68Low67.9Low49 Ų4984.6 Ų84.626%0.26244%0.435SS..THydrogen-bonded Turntrans-75.4-12.3171.2-78.6-30.4000113.6S177 G183 K184 K185S177-N181 WeakPolarHBondContact CB-ND2 3.31Å; S177-N181 WeakPolarHBondContact O-CB 3.44Å; S177-N181 VanDerWaalsContact O-CG 3.26Å; S177-N181 PolarHBondContact O-N 3.24Å; S177-N181 PolarHBondContact O-ND2 3.16Å; S177-N181 PolarHBondContact OG-ND2 3.5Å; N181-G183 PolarHBondContact O-N 3.34Å; N181-K184 PolarHBondContact O-N 2.95Å; N181-K185 PolarHBondContact O-N 3.44Å
182Q57.6Low66Low123 Ų12385.2 Ų85.258%0.57544%0.441SS*.Hα-helixtrans-60.2-28.1175.3-63-175.230.200112.1E178 W180 R186E178-Q182 WeakPolarHBondContact O-CG 3.24Å; E178-Q182 PolarHBondContact O-NE2 3Å; W180-Q182 VanDerWaalsContact C-N 3.27Å; W180-Q182 PolarHBondContact O-N 3.29Å; Q182-R186 PolarHBondContact O-N 3.39Å
183G51.6Low64Low48 Ų4883.9 Ų83.950%0.49545%0.445SS..Hα-helixtrans-69.1-35.5171.300000114N181 R186 A187N181-G183 PolarHBondContact O-N 3.34Å; G183-R186 PolarHBondContact O-N 3.41Å; G183-A187 PolarHBondContact O-N 3.36Å
184K46.6Very low62.1Low124 Ų12493 Ų9354%0.53948%0.479SS..Hα-helixtrans-70.3-36.7177-72-176.2179.91690111.9N181 A187 N188N181-K184 PolarHBondContact O-N 2.95Å; K184-A187 PolarHBondContact O-N 2.94Å; K184-N188 PolarHBondContact O-N 3.21Å
185K41.1Very low60.3Low162 Ų16293.3 Ų93.370%0.70449%0.49SS*.Hα-helixtrans-64-38.6174.8-78-175.1177.6173.90112.5N181 T189N181-K185 PolarHBondContact O-N 3.44Å; K185-T189 PolarHBondContact O-N 3.35Å; K185-T189 VanDerWaalsContact O-N 3.16Å; K185-T189 PolarHBondContact O-OG1 2.96Å
186R47.1Very low58.5Low195 Ų19593.3 Ų93.374%0.73649%0.486SS*.Hα-helixtrans-71.1-36.1174.7-82-176.5169.8177.2-1.3113.5Q182 G183 T189 N190Q182-R186 PolarHBondContact O-N 3.39Å; G183-R186 PolarHBondContact O-N 3.41Å; R186-T189 WeakPolarHBondContact CA-OG1 3.44Å; R186-T189 PolarHBondContact O-OG1 3.03Å; R186-N190 PolarHBondContact O-N 2.78Å
187A50.6Low56.8Low61 Ų6193.1 Ų93.150%0.50449%0.489SS..Hα-helixtrans-66-39.1173.500000111.9G183 K184 S191G183-A187 PolarHBondContact O-N 3.36Å; K184-A187 PolarHBondContact O-N 2.94Å; A187-S191 WeakPolarHBondContact O-CB 3.38Å; A187-S191 PolarHBondContact O-N 2.94Å
188N47.9Very low55.8Low118 Ų11894.5 Ų94.563%0.63150%0.495SS*.Hα-helixtrans-68.1-38.7177-101.414.3000113.1K184 N190 S191 S192K184-N188 PolarHBondContact O-N 3.21Å; N188-N190 PolarHBondContact O-N 2.7Å; N188-S191 WeakPolarHBondContact CA-OG 3.46Å; N188-S191 PolarHBondContact O-N 2.97Å; N188-S191 PolarHBondContact O-OG 2.75Å; N188-S192 PolarHBondContact O-N 2.87Å; N188-S192 PolarHBondContact O-OG 3.16Å
189T49.9Very low54.9Low83 Ų8393.6 Ų93.651%0.50949%0.491SS..Hα-helixtrans-68.3-33.5178.917.30000113.1K185 R186 S192 S193K185-T189 PolarHBondContact O-N 3.35Å; K185-T189 VanDerWaalsContact O-N 3.16Å; K185-T189 PolarHBondContact O-OG1 2.96Å; R186-T189 WeakPolarHBondContact CA-OG1 3.44Å; R186-T189 PolarHBondContact O-OG1 3.03Å; T189-S192 PolarHBondContact O-OG 3.14Å; T189-S193 PolarHBondContact O-N 3.3Å; T189-S193 PolarHBondContact O-OG 3.44Å
190N50.8Low53.9Low120 Ų12097.8 Ų97.864%0.64251%0.512SS*.Hα-helixtrans-76.5-28.8173.3-76.8-6.7000112.5R186 N188 S193 R194R186-N190 PolarHBondContact O-N 2.78Å; N188-N190 PolarHBondContact O-N 2.7Å; N190-S193 WeakPolarHBondContact CA-OG 3.25Å; N190-S193 PolarHBondContact O-OG 3.18Å; N190-R194 WeakPolarHBondContact O-CB 3.22Å; N190-R194 PolarHBondContact O-N 2.84Å
191S55.4Low52.9Low64 Ų64102.4 Ų102.445%0.44854%0.535SS..Hα-helixtrans-72.6-36.5174.474.90000112.6A187 N188 R194 A195A187-S191 WeakPolarHBondContact O-CB 3.38Å; A187-S191 PolarHBondContact O-N 2.94Å; N188-S191 WeakPolarHBondContact CA-OG 3.46Å; N188-S191 PolarHBondContact O-N 2.97Å; N188-S191 PolarHBondContact O-OG 2.75Å; S191-R194 PolarHBondContact O-N 3.45Å; S191-A195 VanDerWaalsContact O-CB 3.3Å; S191-A195 WeakPolarHBondContact O-CB 3.06Å; S191-A195 PolarHBondContact O-N 3.48Å
192S54.5Low52.2Low68 Ų68103.9 Ų103.948%0.47654%0.543SS..Hα-helixtrans-73-3517960.70000112.6N188 T189 H196N188-S192 PolarHBondContact O-N 2.87Å; N188-S192 PolarHBondContact O-OG 3.16Å; T189-S192 PolarHBondContact O-OG 3.14Å; S192-H196 WeakPolarHBondContact O-CB 3.15Å; S192-H196 PolarHBondContact O-N 2.76Å
193S54.7Low52.1Low57 Ų57105.6 Ų105.640%0.39955%0.549SS..Hα-helixtrans-72.5-34.8174.537.30000112T189 N190 H196 L197T189-S193 PolarHBondContact O-N 3.3Å; T189-S193 PolarHBondContact O-OG 3.44Å; N190-S193 WeakPolarHBondContact CA-OG 3.25Å; N190-S193 PolarHBondContact O-OG 3.18Å; S193-H196 PolarHBondContact O-N 2.98Å; S193-L197 WeakPolarHBondContact O-CD1 3.49Å; S193-L197 WeakPolarHBondContact O-CG 3.27Å; S193-L197 PolarHBondContact O-N 3.08Å
194R53.6Low52.1Low193 Ų193110.6 Ų110.673%0.72856%0.56SS**Hα-helixtrans-71.6-37.1173.7-150.6173-168.8167.82.7112.7N190 S191 H196 L197 T198N190-R194 WeakPolarHBondContact O-CB 3.22Å; N190-R194 PolarHBondContact O-N 2.84Å; S191-R194 PolarHBondContact O-N 3.45Å; R194-H196 VanDerWaalsContact C-N 3.34Å; R194-L197 PolarHBondContact O-N 3.08Å; R194-T198 PolarHBondContact O-N 3.16Å; R194-T198 PolarHBondContact O-OG1 2.84Å
195A55.3Low52.3Low48 Ų48109.2 Ų109.240%0.39756%0.561SS.*Hα-helixtrans-63.1-39.9172.400000111.8S191 T198 E199S191-A195 VanDerWaalsContact O-CB 3.3Å; S191-A195 WeakPolarHBondContact O-CB 3.06Å; S191-A195 PolarHBondContact O-N 3.48Å; A195-T198 VanDerWaalsContact CA-OG1 3.32Å; A195-T198 WeakPolarHBondContact CA-OG1 3.38Å; A195-T198 PolarHBondContact O-N 3.09Å; A195-T198 PolarHBondContact O-OG1 2.83Å; A195-E199 PolarHBondContact O-N 2.88Å
196H54Low52.9Low115 Ų115110.6 Ų110.653%0.53256%0.562SS.*Hα-helixtrans-71.1-33.7177.8-153.336.3000112.8S192 S193 R194 E199 L200S192-H196 WeakPolarHBondContact O-CB 3.15Å; S192-H196 PolarHBondContact O-N 2.76Å; S193-H196 PolarHBondContact O-N 2.98Å; R194-H196 VanDerWaalsContact C-N 3.34Å; H196-E199 IonicContact ND1-OE2 3.62Å; H196-E199 PolarHBondContact O-N 3.28Å; H196-L200 WeakPolarHBondContact O-CD1 3.34Å; H196-L200 VanDerWaalsContact O-CG 3.27Å; H196-L200 WeakPolarHBondContact O-CG 3.44Å; H196-L200 PolarHBondContact O-N 3.45Å; H196-L200 VanDerWaalsContact O-N 3.15Å
197L53.5Low53.2Low102 Ų102106.1 Ų106.153%0.53456%0.561SS.*Hα-helixtrans-66.4-43.5171.7-75.8159.3000111.8S193 R194 E199 L200 E201S193-L197 WeakPolarHBondContact O-CD1 3.49Å; S193-L197 WeakPolarHBondContact O-CG 3.27Å; S193-L197 PolarHBondContact O-N 3.08Å; R194-L197 PolarHBondContact O-N 3.08Å; L197-E199 VanDerWaalsContact C-N 3.33Å; L197-E199 PolarHBondContact O-N 3.31Å; L197-L200 PolarHBondContact O-N 3Å; L197-E201 WeakPolarHBondContact O-CG 3.25Å; L197-E201 PolarHBondContact O-N 3.06Å
198T55.7Low53.1Low79 Ų79107.9 Ų107.949%0.48557%0.57SS.*Hα-helixtrans-65.7-32.9175.342.30000112.9R194 A195 L200 D202R194-T198 PolarHBondContact O-N 3.16Å; R194-T198 PolarHBondContact O-OG1 2.84Å; A195-T198 VanDerWaalsContact CA-OG1 3.32Å; A195-T198 WeakPolarHBondContact CA-OG1 3.38Å; A195-T198 PolarHBondContact O-N 3.09Å; A195-T198 PolarHBondContact O-OG1 2.83Å; T198-L200 VanDerWaalsContact C-N 3.35Å; T198-D202 WeakPolarHBondContact O-CB 3.36Å; T198-D202 PolarHBondContact O-N 2.76Å; T198-D202 VanDerWaalsContact O-N 3.08Å
199E55.9Low52.9Low117 Ų117107.6 Ų107.655%0.54758%0.575SS.*Hα-helixtrans-71.2-27.4174.2-80.5-176.7158.100113.5A195 H196 L197 K203A195-E199 PolarHBondContact O-N 2.88Å; H196-E199 IonicContact ND1-OE2 3.62Å; H196-E199 PolarHBondContact O-N 3.28Å; L197-E199 VanDerWaalsContact C-N 3.33Å; L197-E199 PolarHBondContact O-N 3.31Å; E199-K203 WeakPolarHBondContact O-CG 3.49Å; E199-K203 PolarHBondContact O-N 3.01Å
200L54.5Low52.7Low96 Ų96110 Ų11050%0.50360%0.595SS.*Hα-helixtrans-78.7-36.9176.2-73162.8000111.5H196 L197 T198 Q204H196-L200 WeakPolarHBondContact O-CD1 3.34Å; H196-L200 VanDerWaalsContact O-CG 3.27Å; H196-L200 WeakPolarHBondContact O-CG 3.44Å; H196-L200 PolarHBondContact O-N 3.45Å; H196-L200 VanDerWaalsContact O-N 3.15Å; L197-L200 PolarHBondContact O-N 3Å; T198-L200 VanDerWaalsContact C-N 3.35Å; L200-Q204 PolarHBondContact O-N 3.18Å
201E53.3Low52.1Low128 Ų128113.7 Ų113.760%0.59863%0.63SS**Hα-helixtrans-70.8-36175.7-71176.9155.400112.4L197 K203 T205L197-E201 WeakPolarHBondContact O-CG 3.25Å; L197-E201 PolarHBondContact O-N 3.06Å; E201-K203 VanDerWaalsContact C-N 3.33Å; E201-K203 PolarHBondContact O-N 3.01Å; E201-T205 PolarHBondContact O-N 3.13Å; E201-T205 PolarHBondContact O-OG1 3.34Å
202D53.7Low51.9Low81 Ų81116.2 Ų116.243%0.43364%0.639SS.*Hα-helixtrans-77.1-19.3178.5-137.140.7000112.8T198 T205 R206T198-D202 WeakPolarHBondContact O-CB 3.36Å; T198-D202 PolarHBondContact O-N 2.76Å; T198-D202 VanDerWaalsContact O-N 3.08Å; D202-T205 WeakPolarHBondContact CA-OG1 3.34Å; D202-T205 PolarHBondContact O-OG1 2.81Å; D202-R206 VanDerWaalsContact O-CG 3.31Å; D202-R206 WeakPolarHBondContact O-CG 3.47Å; D202-R206 IonicContact OD2-CZ 3.59Å; D202-R206 IonicContact OD2-NE 3.66Å; D202-R206 IonicContact OD2-NH2 2.86Å; D202-R206 PolarHBondContact OD2-NH2 3.09Å
203K55Low51.8Low158 Ų158118.7 Ų118.769%0.68765%0.647SS**Hα-helixtrans-84-31.7172.3-81.2-179.5178.5176.80113.3E199 E201E199-K203 WeakPolarHBondContact O-CG 3.49Å; E199-K203 PolarHBondContact O-N 3.01Å; E201-K203 VanDerWaalsContact C-N 3.33Å; E201-K203 PolarHBondContact O-N 3.01Å
204Q51.7Low51.6Low154 Ų154122.2 Ų122.272%0.7266%0.661SS**Hα-helixtrans-75-29.8175.6-85.9-176.3-12.600113.1L200L200-Q204 PolarHBondContact O-N 3.18Å
205T50.4Low51.5Low94 Ų94118 Ų11858%0.57766%0.657SS**Hα-helixtrans-77.7-23.7177.645.30000113.2E201 D202E201-T205 PolarHBondContact O-N 3.13Å; E201-T205 PolarHBondContact O-OG1 3.34Å; D202-T205 WeakPolarHBondContact CA-OG1 3.34Å; D202-T205 PolarHBondContact O-OG1 2.81Å
206R52.6Low51.3Low191 Ų191122.4 Ų122.472%0.72167%0.673SS**THydrogen-bonded Turntrans-88.5-8.9179.5-68-177.6-165.4-161.58.6115.3D202D202-R206 VanDerWaalsContact O-CG 3.31Å; D202-R206 WeakPolarHBondContact O-CG 3.47Å; D202-R206 IonicContact OD2-CZ 3.59Å; D202-R206 IonicContact OD2-NE 3.66Å; D202-R206 IonicContact OD2-NH2 2.86Å; D202-R206 PolarHBondContact OD2-NH2 3.09Å
207S54.1Low51.1Low102 Ų102122.9 Ų122.971%0.71368%0.683SS**THydrogen-bonded Turntrans-99.26.3178.465.50000114.6
208S49.2Very low50.9Low98 Ų98124.4 Ų124.469%0.68569%0.693SS**SBendtrans-1084.6-174.9-179.30000114.7
209C42.9Very low50.5Low111 Ų111127.8 Ų127.875%0.7571%0.709SS**  trans-130.683178.5-78.20000110.7
210C46.3Very low50.1Low135 Ų135128.8 Ų128.891%0.91272%0.723SS**  trans-149.9126.4153-870000107.6
211S37.4Very low49.7Very low197 Ų197131.7 Ų131.7100%1.37874%0.743SS**  trans-60.70168.5-56.70000112.7

Retrieved 211 of 211 residues in 680.5 ms (Link to these results)

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