A0A077Z997_TRITR Loading...

Miro domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z997, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 203 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
1M35.9Very low66.3Low241 Ų24181 Ų81100%1.18747%0.469SS*.  01050-73.7175.3-164.400106.2L3M1-L3 PolarHBondContact O-N 2.91Å
2S35.2Very low68.7Low102 Ų10274.3 Ų74.371%0.71343%0.43SS*.  trans-69.4121.2171.744.60000107.8P4S2-P4 VanDerWaalsContact O-CD 3.28Å; S2-P4 WeakPolarHBondContact O-CD 3.25Å
3L44.5Very low70.8Confident128 Ų12869.6 Ų69.667%0.6740%0.401SS*.  trans-64.3116170.3-80.4162.3000107.5M1 N5 A6M1-L3 PolarHBondContact O-N 2.91Å; L3-N5 PolarHBondContact O-N 3.06Å; L3-A6 HydrophobicContact CB-CB 4.33Å
4P41.5Very low72.6Confident110 Ų11064.6 Ų64.671%0.71437%0.372SS*.THydrogen-bonded Turntrans-68.7121-179.627.3-29.3000108.2S2S2-P4 VanDerWaalsContact O-CD 3.28Å; S2-P4 WeakPolarHBondContact O-CD 3.25Å
5N53.7Low74Confident160 Ų16061.8 Ų61.886%0.85636%0.355SS*.THydrogen-bonded Turntrans68.330.8168.8-53.4-28000117.9L3 S7L3-N5 PolarHBondContact O-N 3.06Å; N5-S7 PolarHBondContact O-N 2.8Å
6A68.5Low75.2Confident53 Ų5364.2 Ų64.244%0.43836%0.357SS..  trans-7096.6173.300000111.3L3L3-A6 HydrophobicContact CB-CB 4.33Å
7S80.7Confident76.3Confident56 Ų5663.3 Ų63.339%0.39235%0.351SS..  trans-83.1137.8167.556.90000110.5N5 K59N5-S7 PolarHBondContact O-N 2.8Å; S7-K59 CarbonylContact C-O 3.58Å; S7-K59 WeakPolarHBondContact CA-O 3.09Å
8V88Confident77.4Confident4 Ų459.8 Ų59.82%0.02433%0.332CS..EExtended strand (participates in β ladder)trans-94.3115.3174.1175.90000108.9V10 V58 K59 V60 D61 N105 P194 I198V8-V10 HydrophobicContact CG1-CG2 4.03Å; V8-V58 HydrophobicContact CB-CG1 4.34Å; V8-V58 HydrophobicContact CG2-CG1 3.6Å; V8-K59 PolarHBondContact N-O 3.37Å; V8-V60 HydrophobicContact CB-CG2 4.32Å; V8-V60 CarbonylContact O-C 3.41Å; V8-V60 VanDerWaalsContact O-CA 3.29Å; V8-V60 WeakPolarHBondContact O-CA 3.35Å; V8-D61 PolarHBondContact O-N 2.82Å; V8-N105 WeakPolarHBondContact CA-OD1 3.13Å; V8-N105 HydrophobicContact CG1-CB 3.77Å; V8-P194 HydrophobicContact CG1-CB 3.93Å; V8-I198 HydrophobicContact CG2-CD1 4.13Å
9K91.6Very high78.3Confident35 Ų3557.1 Ų57.115%0.15232%0.318CS..EExtended strand (participates in β ladder)trans-86.9121.4176.3179.7176.1172.1-169.30110.6L11 D61 W63 Q102 G103 N105 A106K9-L11 HydrophobicContact CG-CD2 4.38Å; K9-D61 CarbonylContact C-O 3.5Å; K9-D61 WeakPolarHBondContact CA-O 3.11Å; K9-W63 HydrophobicContact CG-CG 4.44Å; K9-Q102 PolarHBondContact NZ-O 2.76Å; K9-G103 WeakPolarHBondContact CB-O 3.29Å; K9-N105 PolarHBondContact N-OD1 2.85Å; K9-N105 PolarHBondContact O-N 2.97Å; K9-A106 PolarHBondContact O-N 3.09Å
10V93.7Very high79.2Confident2 Ų255 Ų551%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-120.5124.3179.2179.20000109.7V8 V60 D61 I62 W63 A106 I108 L191V8-V10 HydrophobicContact CG1-CG2 4.03Å; V10-V60 HydrophobicContact CB-CG1 4.42Å; V10-V60 HydrophobicContact CG2-CG1 3.77Å; V10-D61 PolarHBondContact N-O 3.38Å; V10-I62 WeakPolarHBondContact O-CA 3.42Å; V10-W63 PolarHBondContact O-N 2.87Å; V10-A106 HydrophobicContact CG1-CB 4.29Å; V10-A106 HydrophobicContact CG2-CB 4.13Å; V10-I108 HydrophobicContact CG1-CD1 3.93Å; V10-I108 HydrophobicContact CG1-CG1 4.09Å; V10-L191 HydrophobicContact CB-CD2 4.5Å; V10-L191 HydrophobicContact CG1-CD2 4.27Å; V10-L191 HydrophobicContact CG2-CD2 3.69Å
11L95.5Very high80Confident0 Ų054 Ų540%030%0.301CS..EExtended strand (participates in β ladder)trans-91.8135.4176.5-52-176.6000110.5K9 W63 I65 I100 Y101 A104 A106 V107 I108K9-L11 HydrophobicContact CG-CD2 4.38Å; L11-W63 HydrophobicContact CD2-CB 3.7Å; L11-W63 HydrophobicContact CD2-CG 4.07Å; L11-I65 HydrophobicContact CB-CG1 4.39Å; L11-I65 HydrophobicContact CD2-CD1 4.29Å; L11-I100 HydrophobicContact CD1-CB 4.42Å; L11-I100 HydrophobicContact CD1-CG1 4.39Å; L11-I100 VanDerWaalsContact CD1-O 3.28Å; L11-I100 WeakPolarHBondContact CD1-O 3.32Å; L11-Y101 HydrophobicContact CD1-CD1 3.64Å; L11-Y101 HydrophobicContact CD1-CE1 4.13Å; L11-Y101 HydrophobicContact CD1-CG 4.49Å; L11-A104 HydrophobicContact CD1-CB 3.88Å; L11-A104 HydrophobicContact CD2-CB 4.42Å; L11-A104 HydrophobicContact CG-CB 3.87Å; L11-A106 PolarHBondContact N-O 2.57Å; L11-V107 HydrophobicContact CB-CG2 4.46Å; L11-V107 HydrophobicContact CD1-CG2 4.35Å; L11-V107 CarbonylContact O-C 3.54Å; L11-I108 PolarHBondContact O-N 2.99Å
12I95.9Very high82.8Confident0 Ų043.8 Ų43.80%025%0.253CS..EExtended strand (participates in β ladder)trans-108.8116.7166.8-52.5174.8000107.6K20 L23 M24 I62 W63 I65 I108I12-K20 HydrophobicContact CG2-CB 3.69Å; I12-K20 HydrophobicContact CG2-CD 4.11Å; I12-K20 HydrophobicContact CG2-CG 3.81Å; I12-L23 HydrophobicContact CD1-CB 4.5Å; I12-L23 HydrophobicContact CD1-CD2 3.95Å; I12-L23 HydrophobicContact CD1-CG 4.03Å; I12-L23 HydrophobicContact CG1-CD2 4.46Å; I12-L23 HydrophobicContact CG2-CD2 4.29Å; I12-M24 HydrophobicContact CD1-CB 4.24Å; I12-I62 HydrophobicContact CD1-CG2 3.35Å; I12-I62 HydrophobicContact CG1-CG2 3.92Å; I12-W63 PolarHBondContact N-O 2.59Å; I12-I65 WeakPolarHBondContact O-CB 3.42Å; I12-I65 PolarHBondContact O-N 3.05Å; I12-I108 HydrophobicContact CG1-CB 4.44Å; I12-I108 HydrophobicContact CG1-CD1 4.35Å
13R95.7Very high85.7Confident14 Ų1438.9 Ų38.95%0.05322%0.219CC..EExtended strand (participates in β ladder)trans-121.9154.2179.8-68.8-166.975.6-152.5-2.2110.4I65 D67 I100 Y101 I108 L109 M110 Y121 E125R13-I65 HydrophobicContact CG-CB 3.97Å; R13-I65 HydrophobicContact CG-CG1 4.03Å; R13-I65 HydrophobicContact CG-CG2 4.32Å; R13-D67 WeakPolarHBondContact CB-OD2 3.49Å; R13-D67 IonicContact CZ-OD1 3.39Å; R13-D67 IonicContact CZ-OD2 3.58Å; R13-D67 IonicContact NE-OD1 2.84Å; R13-D67 PolarHBondContact NE-OD1 3.33Å; R13-D67 IonicContact NE-OD2 3.95Å; R13-D67 PolarHBondContact NE-OD2 3.31Å; R13-D67 VanDerWaalsContact NH2-CG 3.31Å; R13-D67 IonicContact NH2-OD1 2.76Å; R13-D67 PolarHBondContact NH2-OD1 3.06Å; R13-D67 IonicContact NH2-OD2 3.45Å; R13-D67 PolarHBondContact NH2-OD2 3.41Å; R13-I100 HydrophobicContact CG-CD1 4.46Å; R13-Y101 PolarHBondContact NH1-OH 2.73Å; R13-I108 PolarHBondContact N-O 2.87Å; R13-L109 HydrophobicContact CB-CD2 3.77Å; R13-L109 WeakPolarHBondContact O-CA 3.43Å; R13-M110 PolarHBondContact O-N 3.07Å; R13-Y121 PolarHBondContact NH2-OH 3.15Å; R13-E125 IonicContact CZ-OE2 3.41Å; R13-E125 IonicContact NH1-OE2 3.07Å; R13-E125 PolarHBondContact NH1-OE2 2.79Å; R13-E125 VanDerWaalsContact NH1-OE2 3.07Å; R13-E125 IonicContact NH2-OE2 2.85Å; R13-E125 PolarHBondContact NH2-OE2 3.15Å
14G95.3Very high88Confident0 Ų033.2 Ų33.20%019%0.189CC..EExtended strand (participates in β ladder)trans156.2164.1-175.200000112.6K20 M110G14-K20 PolarHBondContact O-NZ 3.39Å; G14-M110 WeakPolarHBondContact CA-O 3.29Å
15D94.1Very high90.5Very high22 Ų2229 Ų2912%0.11816%0.16CC..SBendtrans-62.1168.2176.7-149.2-30.4000111.9V18 K20 T118 Y121D15-V18 HydrophobicContact CB-CG1 3.99Å; D15-V18 WeakPolarHBondContact O-CG1 3.41Å; D15-V18 VanDerWaalsContact O-CG2 3.28Å; D15-V18 WeakPolarHBondContact O-CG2 3.28Å; D15-K20 PolarHBondContact O-NZ 2.85Å; D15-T118 HydrophobicContact CB-CG2 3.92Å; D15-Y121 HydrophobicContact CB-CD2 4.29Å; D15-Y121 HydrophobicContact CB-CG 4.36Å
16R92.7Very high92.3Very high100 Ų10024.4 Ų24.438%0.37713%0.13SC..THydrogen-bonded Turntrans-62.5145.8174.5-68.3-175.2171.2-139.5-8.1110.1V18 E40R16-V18 VanDerWaalsContact C-N 3.29Å; R16-V18 PolarHBondContact O-N 2.84Å; R16-E40 IonicContact NH1-OE1 3.99Å; R16-E40 IonicContact NH2-OE2 3.74Å; R16-E40 PolarHBondContact NH2-OE2 2.92Å
17N94.3Very high93.4Very high49 Ų4922.3 Ų22.326%0.26211%0.112SC..THydrogen-bonded Turntrans56.931.6177.5-165.415.8000115.8Y36 K115 R141N17-Y36 HydrophobicContact CB-CD1 4.48Å; N17-Y36 HydrophobicContact CB-CD2 4.12Å; N17-Y36 HydrophobicContact CB-CE1 4.09Å; N17-Y36 HydrophobicContact CB-CE2 3.71Å; N17-Y36 HydrophobicContact CB-CG 4.49Å; N17-K115 PolarHBondContact O-NZ 3.06Å; N17-R141 PolarHBondContact OD1-NH2 3.44Å
18V96.2Very high93.8Very high1 Ų122.9 Ų22.91%0.00611%0.108CC..SBendtrans-90-14.2169.7-57.20000112.9D15 R16 K20 M110 D112 T118 N140D15-V18 HydrophobicContact CB-CG1 3.99Å; D15-V18 WeakPolarHBondContact O-CG1 3.41Å; D15-V18 VanDerWaalsContact O-CG2 3.28Å; D15-V18 WeakPolarHBondContact O-CG2 3.28Å; R16-V18 VanDerWaalsContact C-N 3.29Å; R16-V18 PolarHBondContact O-N 2.84Å; V18-K20 HydrophobicContact CG2-CD 4.32Å; V18-K20 HydrophobicContact CG2-CG 3.55Å; V18-M110 HydrophobicContact CG2-CB 4.05Å; V18-M110 HydrophobicContact CG2-CG 4.01Å; V18-M110 HydrophobicContact CG2-SD 4.41Å; V18-D112 HydrophobicContact CB-CB 4.46Å; V18-D112 HydrophobicContact CG1-CB 4.28Å; V18-T118 HydrophobicContact CG1-CG2 3.74Å; V18-N140 PolarHBondContact O-ND2 3.15Å
19G95.6Very high93.9Very high7 Ų725.8 Ų25.87%0.07214%0.14CC..SBendtrans10422.417900000115.8C22 L23 M110G19-C22 WeakPolarHBondContact O-CB 3.28Å; G19-C22 PolarHBondContact O-N 2.77Å; G19-L23 PolarHBondContact O-N 2.86Å; G19-M110 VanDerWaalsContact C-SD 3.55Å; G19-M110 WeakPolarHBondContact O-CE 3.47Å
20K95.4Very high94Very high16 Ų1629.8 Ų29.87%0.0715%0.154CC..Hα-helixtrans-58.6-51.7179.3-55.6-171.3-62.7-82.50112.9I12 G14 D15 V18 C22 L23 M24 D64 I65 M110I12-K20 HydrophobicContact CG2-CB 3.69Å; I12-K20 HydrophobicContact CG2-CD 4.11Å; I12-K20 HydrophobicContact CG2-CG 3.81Å; G14-K20 PolarHBondContact O-NZ 3.39Å; D15-K20 PolarHBondContact O-NZ 2.85Å; V18-K20 HydrophobicContact CG2-CD 4.32Å; V18-K20 HydrophobicContact CG2-CG 3.55Å; K20-C22 VanDerWaalsContact C-N 3.35Å; K20-C22 PolarHBondContact O-N 2.77Å; K20-L23 WeakPolarHBondContact O-CA 3.43Å; K20-L23 WeakPolarHBondContact O-CB 3.27Å; K20-L23 PolarHBondContact O-N 3.22Å; K20-M24 PolarHBondContact O-N 2.95Å; K20-D64 WeakPolarHBondContact CB-OD1 3.21Å; K20-D64 VanDerWaalsContact CE-OD1 3.23Å; K20-D64 WeakPolarHBondContact CE-OD1 3.02Å; K20-I65 VanDerWaalsContact CE-O 3.23Å; K20-I65 WeakPolarHBondContact CE-O 2.98Å; K20-M110 HydrophobicContact CG-CB 4.44Å; K20-M110 HydrophobicContact CG-SD 4.28Å
21T95.1Very high93.8Very high34 Ų3437.7 Ų37.721%0.20919%0.191CC..Hα-helixtrans-62.6-43.4177.4-42.40000111L23 M24 E25 T39 D64T21-L23 VanDerWaalsContact C-N 3.27Å; T21-L23 PolarHBondContact O-N 3.18Å; T21-M24 HydrophobicContact CG2-CE 4.21Å; T21-M24 WeakPolarHBondContact O-CB 3.31Å; T21-M24 PolarHBondContact O-N 3.21Å; T21-M24 VanDerWaalsContact O-N 3.17Å; T21-E25 WeakPolarHBondContact O-CG 3.36Å; T21-E25 PolarHBondContact O-N 2.93Å; T21-T39 PolarHBondContact OG1-OG1 3.26Å; T21-D64 VanDerWaalsContact CA-OD2 3.23Å; T21-D64 WeakPolarHBondContact CA-OD2 3.2Å; T21-D64 WeakPolarHBondContact CB-OD2 3.4Å; T21-D64 PolarHBondContact N-OD2 3.2Å; T21-D64 PolarHBondContact OG1-OD2 2.75Å
22C95.6Very high93.7Very high26 Ų2639.8 Ų39.818%0.17620%0.2CC..Hα-helixtrans-55.9-42.3172.3-56.40000111.6G19 K20 E25 R26 F32 M178G19-C22 WeakPolarHBondContact O-CB 3.28Å; G19-C22 PolarHBondContact O-N 2.77Å; K20-C22 VanDerWaalsContact C-N 3.35Å; K20-C22 PolarHBondContact O-N 2.77Å; C22-E25 PolarHBondContact O-N 3.07Å; C22-R26 WeakPolarHBondContact O-CB 3.38Å; C22-R26 WeakPolarHBondContact O-CG 3.32Å; C22-R26 PolarHBondContact O-N 2.62Å; C22-F32 HydrophobicContact CB-CE2 4.48Å; C22-M178 HydrophobicContact CB-CB 3.77Å; C22-M178 HydrophobicContact CB-CG 3.98Å
23L95.2Very high93.4Very high0 Ų046.8 Ų46.80%023%0.226CC..Hα-helixtrans-62.2-47.6176.9170.462.1000111.9I12 G19 K20 T21 E25 R26 L27 I108 M110 L138 M178 L184 L187I12-L23 HydrophobicContact CD1-CB 4.5Å; I12-L23 HydrophobicContact CD1-CD2 3.95Å; I12-L23 HydrophobicContact CD1-CG 4.03Å; I12-L23 HydrophobicContact CG1-CD2 4.46Å; I12-L23 HydrophobicContact CG2-CD2 4.29Å; G19-L23 PolarHBondContact O-N 2.86Å; K20-L23 WeakPolarHBondContact O-CA 3.43Å; K20-L23 WeakPolarHBondContact O-CB 3.27Å; K20-L23 PolarHBondContact O-N 3.22Å; T21-L23 VanDerWaalsContact C-N 3.27Å; T21-L23 PolarHBondContact O-N 3.18Å; L23-E25 VanDerWaalsContact C-N 3.32Å; L23-E25 PolarHBondContact O-N 3.15Å; L23-R26 PolarHBondContact O-N 3.22Å; L23-L27 HydrophobicContact CD1-CD1 4.07Å; L23-L27 HydrophobicContact CD1-CG 4.13Å; L23-L27 HydrophobicContact CG-CD1 4.19Å; L23-L27 WeakPolarHBondContact O-CG 3.29Å; L23-L27 PolarHBondContact O-N 3.45Å; L23-I108 HydrophobicContact CD2-CD1 4.28Å; L23-I108 HydrophobicContact CD2-CG2 4.13Å; L23-M110 HydrophobicContact CB-CE 4.15Å; L23-M110 HydrophobicContact CB-SD 4.18Å; L23-M110 HydrophobicContact CD2-SD 4.03Å; L23-L138 HydrophobicContact CD2-CD2 3.81Å; L23-M178 WeakPolarHBondContact CA-SD 3.36Å; L23-M178 HydrophobicContact CB-CG 4.28Å; L23-M178 HydrophobicContact CB-SD 3.69Å; L23-M178 HydrophobicContact CD1-CE 4Å; L23-M178 HydrophobicContact CD1-SD 3.71Å; L23-M178 HydrophobicContact CG-SD 4.31Å; L23-L184 HydrophobicContact CD1-CD2 4.14Å; L23-L187 HydrophobicContact CD1-CD1 3.4Å; L23-L187 VanDerWaalsContact CD1-CD1 3.4Å; L23-L187 HydrophobicContact CD1-CD2 4.4Å
24M94Very high93.2Very high8 Ų852.7 Ų52.74%0.03925%0.254CS..Hα-helixtrans-55.7-48174.9-178177.866.700111.2I12 K20 T21 R26 L27 Q28 Q43 A45 I62 D64I12-M24 HydrophobicContact CD1-CB 4.24Å; K20-M24 PolarHBondContact O-N 2.95Å; T21-M24 HydrophobicContact CG2-CE 4.21Å; T21-M24 WeakPolarHBondContact O-CB 3.31Å; T21-M24 PolarHBondContact O-N 3.21Å; T21-M24 VanDerWaalsContact O-N 3.17Å; M24-R26 PolarHBondContact O-N 2.76Å; M24-L27 WeakPolarHBondContact O-CB 3.37Å; M24-L27 PolarHBondContact O-N 2.85Å; M24-Q28 WeakPolarHBondContact O-CG 3.48Å; M24-Q28 PolarHBondContact O-N 2.74Å; M24-Q28 VanDerWaalsContact O-N 3.09Å; M24-Q43 HydrophobicContact CE-CB 3.81Å; M24-Q43 VanDerWaalsContact CE-OE1 3.3Å; M24-Q43 HydrophobicContact SD-CB 4.34Å; M24-A45 HydrophobicContact CG-CB 3.65Å; M24-A45 HydrophobicContact SD-CB 3.6Å; M24-I62 HydrophobicContact CB-CG2 4.11Å; M24-I62 HydrophobicContact CG-CB 4.29Å; M24-I62 HydrophobicContact CG-CG2 3.81Å; M24-I62 HydrophobicContact SD-CG2 4.35Å; M24-D64 HydrophobicContact CE-CB 4.31Å; M24-D64 HydrophobicContact SD-CB 4.04Å
25E93.8Very high93Very high21 Ų2157.9 Ų57.910%0.09829%0.286CS..Hα-helixtrans-62.8-41.4178.2-70.7-161.3128.900112.8T21 C22 L23 L27 Q28 G29 R30T21-E25 WeakPolarHBondContact O-CG 3.36Å; T21-E25 PolarHBondContact O-N 2.93Å; C22-E25 PolarHBondContact O-N 3.07Å; L23-E25 VanDerWaalsContact C-N 3.32Å; L23-E25 PolarHBondContact O-N 3.15Å; E25-L27 VanDerWaalsContact C-N 3.3Å; E25-L27 PolarHBondContact O-N 3.05Å; E25-Q28 CarbonylContact O-C 3.56Å; E25-Q28 WeakPolarHBondContact O-CB 3.38Å; E25-Q28 PolarHBondContact O-N 2.92Å; E25-Q28 VanDerWaalsContact O-N 3.14Å; E25-G29 PolarHBondContact O-N 3.33Å; E25-R30 HydrophobicContact CB-CB 4.06Å; E25-R30 HydrophobicContact CB-CG 4.47Å; E25-R30 VanDerWaalsContact O-CB 3.29Å; E25-R30 WeakPolarHBondContact O-CB 3.19Å; E25-R30 PolarHBondContact O-N 2.93Å; E25-R30 IonicContact OE1-NH1 2.95Å; E25-R30 PolarHBondContact OE1-NH1 3.04Å
26R92.3Very high92.9Very high64 Ų6461.7 Ų61.724%0.24230%0.299CS..Hα-helixtrans-64-35.8175.8-68.9-63.2-74156.2-6.6111.7C22 L23 M24 Q28 G29 R30 M178 L184C22-R26 WeakPolarHBondContact O-CB 3.38Å; C22-R26 WeakPolarHBondContact O-CG 3.32Å; C22-R26 PolarHBondContact O-N 2.62Å; L23-R26 PolarHBondContact O-N 3.22Å; M24-R26 PolarHBondContact O-N 2.76Å; R26-Q28 VanDerWaalsContact C-N 3.29Å; R26-G29 PolarHBondContact O-N 2.92Å; R26-R30 PolarHBondContact NH1-O 2.97Å; R26-M178 HydrophobicContact CB-SD 4.26Å; R26-M178 HydrophobicContact CG-CB 4.45Å; R26-M178 HydrophobicContact CG-SD 4.03Å; R26-L184 HydrophobicContact CB-CD1 4.04Å; R26-L184 HydrophobicContact CB-CD2 4.01Å
27L90.5Very high92.8Very high10 Ų1063.5 Ų63.55%0.05231%0.312CS..Hα-helixtrans-67.5-30.7174.2-70.4170.5000112.1L23 M24 E25 G29 I62 L191L23-L27 HydrophobicContact CD1-CD1 4.07Å; L23-L27 HydrophobicContact CD1-CG 4.13Å; L23-L27 HydrophobicContact CG-CD1 4.19Å; L23-L27 WeakPolarHBondContact O-CG 3.29Å; L23-L27 PolarHBondContact O-N 3.45Å; M24-L27 WeakPolarHBondContact O-CB 3.37Å; M24-L27 PolarHBondContact O-N 2.85Å; E25-L27 VanDerWaalsContact C-N 3.3Å; E25-L27 PolarHBondContact O-N 3.05Å; L27-G29 PolarHBondContact O-N 3.06Å; L27-I62 HydrophobicContact CB-CD1 3.62Å; L27-I62 HydrophobicContact CD1-CD1 3.55Å; L27-I62 HydrophobicContact CD1-CG1 4.35Å; L27-I62 HydrophobicContact CG-CD1 4.22Å; L27-L191 HydrophobicContact CD2-CD1 4.4Å
28Q90Very high92.7Very high67 Ų6764.2 Ų64.231%0.31332%0.32SS..THydrogen-bonded Turntrans-76.3-0.3170.6-63.9177.9-73.500113.7M24 E25 R26 R30 A45 V47M24-Q28 WeakPolarHBondContact O-CG 3.48Å; M24-Q28 PolarHBondContact O-N 2.74Å; M24-Q28 VanDerWaalsContact O-N 3.09Å; E25-Q28 CarbonylContact O-C 3.56Å; E25-Q28 WeakPolarHBondContact O-CB 3.38Å; E25-Q28 PolarHBondContact O-N 2.92Å; E25-Q28 VanDerWaalsContact O-N 3.14Å; R26-Q28 VanDerWaalsContact C-N 3.29Å; Q28-R30 VanDerWaalsContact C-N 3.35Å; Q28-R30 HydrophobicContact CB-CG 4.28Å; Q28-A45 HydrophobicContact CG-CB 4.11Å; Q28-V47 HydrophobicContact CB-CG1 4.29Å; Q28-V47 HydrophobicContact CG-CG1 3.65Å
29G89.8Confident92.3Very high66 Ų6665.1 Ų65.168%0.6833%0.325SS*.THydrogen-bonded Turntrans79.911.7-177.300000114.5E25 R26 L27E25-G29 PolarHBondContact O-N 3.33Å; R26-G29 PolarHBondContact O-N 2.92Å; L27-G29 PolarHBondContact O-N 3.06Å
30R92.7Very high92Very high118 Ų11870.8 Ų70.845%0.44535%0.35SS..PPolyproline II helixtrans-73.1157.6177.4-59.7-179.1177.5-176.21.8111.6E25 R26 Q28E25-R30 HydrophobicContact CB-CB 4.06Å; E25-R30 HydrophobicContact CB-CG 4.47Å; E25-R30 VanDerWaalsContact O-CB 3.29Å; E25-R30 WeakPolarHBondContact O-CB 3.19Å; E25-R30 PolarHBondContact O-N 2.93Å; E25-R30 IonicContact OE1-NH1 2.95Å; E25-R30 PolarHBondContact OE1-NH1 3.04Å; R26-R30 PolarHBondContact NH1-O 2.97Å; Q28-R30 VanDerWaalsContact C-N 3.35Å; Q28-R30 HydrophobicContact CB-CG 4.28Å
31Q90.7Very high91.6Very high169 Ų16977 Ų7779%0.7938%0.379SS*.PPolyproline II helixtrans-72.9153.5172.3-64.1-1756.200110.7
32F92.5Very high91.4Very high43 Ų4377.7 Ų77.719%0.18938%0.381CS..PPolyproline II helixtrans-71.2138.4175175-104.6000110.9C22 E34 M178 R179C22-F32 HydrophobicContact CB-CE2 4.48Å; F32-E34 HydrophobicContact CD1-CG 4.26Å; F32-E34 HydrophobicContact CE1-CB 4.47Å; F32-E34 HydrophobicContact CE1-CG 3.63Å; F32-M178 VanDerWaalsContact CD2-C 3.49Å; F32-M178 HydrophobicContact CD2-CB 4.19Å; F32-M178 VanDerWaalsContact CD2-O 3.24Å; F32-M178 WeakPolarHBondContact CD2-O 3.38Å; F32-M178 HydrophobicContact CE2-CB 4.25Å; F32-R179 HydrophobicContact CD1-CB 4.03Å; F32-R179 HydrophobicContact CD1-CG 3.81Å; F32-R179 HydrophobicContact CD2-CB 4.47Å; F32-R179 HydrophobicContact CE1-CB 3.72Å; F32-R179 HydrophobicContact CE1-CG 3.55Å; F32-R179 HydrophobicContact CE2-CB 4.22Å; F32-R179 HydrophobicContact CG-CB 4.38Å; F32-R179 HydrophobicContact CZ-CB 3.84Å; F32-R179 HydrophobicContact CZ-CG 4.16Å
33R91Very high91.3Very high147 Ų14779.9 Ų79.956%0.55539%0.388SS*.  trans-111132.7172.7-64.3177.9178.2-178.20.5109.8
34E90Very high91.2Very high138 Ų13883.6 Ų83.665%0.64541%0.411SS*.  trans-77.9-32.4178.4-77.5-173.3172.700112.7F32 Y36 R179F32-E34 HydrophobicContact CD1-CG 4.26Å; F32-E34 HydrophobicContact CE1-CB 4.47Å; F32-E34 HydrophobicContact CE1-CG 3.63Å; E34-Y36 PolarHBondContact O-N 3.42Å; E34-R179 IonicContact OE1-CZ 3.43Å; E34-R179 IonicContact OE1-NE 3.37Å; E34-R179 PolarHBondContact OE1-NE 2.75Å; E34-R179 IonicContact OE1-NH2 3.82Å; E34-R179 PolarHBondContact OE1-NH2 2.76Å
35T92.1Very high91.2Very high109 Ų10983.6 Ų83.667%0.66941%0.412SS*.SBendtrans-64127.7178-49.80000111E37T35-E37 HydrophobicContact CG2-CG 4.45Å
36Y90.9Very high91.1Very high102 Ų10285.3 Ų85.340%0.443%0.427SS..  trans-91.1117.6172.7172.7-113.5000110.4N17 E34 P38N17-Y36 HydrophobicContact CB-CD1 4.48Å; N17-Y36 HydrophobicContact CB-CD2 4.12Å; N17-Y36 HydrophobicContact CB-CE1 4.09Å; N17-Y36 HydrophobicContact CB-CE2 3.71Å; N17-Y36 HydrophobicContact CB-CG 4.49Å; E34-Y36 PolarHBondContact O-N 3.42Å; Y36-P38 HydrophobicContact CD1-CG 4.41Å; Y36-P38 HydrophobicContact CE1-CB 4.37Å; Y36-P38 HydrophobicContact CE1-CG 3.69Å
37E91.6Very high90.9Very high139 Ų13982.8 Ų82.865%0.6542%0.418SS*.  trans-111.9117.7169.8-68.3174.9-179.600107.8T35 T39T35-E37 HydrophobicContact CG2-CG 4.45Å; E37-T39 PolarHBondContact O-N 3.09Å
38P91Very high90.6Very high64 Ų6487 Ų8742%0.41645%0.449SS..  trans-59.2130.7177-23.532.3000112.6Y36 E40Y36-P38 HydrophobicContact CD1-CG 4.41Å; Y36-P38 HydrophobicContact CE1-CB 4.37Å; Y36-P38 HydrophobicContact CE1-CG 3.69Å; P38-E40 WeakPolarHBondContact CB-OE1 3.23Å; P38-E40 PolarHBondContact O-N 2.6Å
39T89.5Confident90.1Very high19 Ų1984.4 Ų84.412%0.11744%0.436CS..  trans-81114.6171.7-41.20000109.3T21 E37 E41 Q43 V66T21-T39 PolarHBondContact OG1-OG1 3.26Å; E37-T39 PolarHBondContact O-N 3.09Å; T39-E41 VanDerWaalsContact CG2-O 3.24Å; T39-E41 WeakPolarHBondContact CG2-O 3.31Å; T39-Q43 HydrophobicContact CG2-CG 3.75Å; T39-V66 HydrophobicContact CG2-CG2 3.76Å; T39-V66 WeakPolarHBondContact O-CG1 3.41Å; T39-V66 VanDerWaalsContact O-CG2 3.31Å; T39-V66 WeakPolarHBondContact O-CG2 3.33Å
40E88Confident89.4Confident127 Ų12786.6 Ų86.659%0.59343%0.432SS*.  trans-91.7-25.2-176.8-63.4-56.2153.400113.5R16 P38R16-E40 IonicContact NH1-OE1 3.99Å; R16-E40 IonicContact NH2-OE2 3.74Å; R16-E40 PolarHBondContact NH2-OE2 2.92Å; P38-E40 WeakPolarHBondContact CB-OE1 3.23Å; P38-E40 PolarHBondContact O-N 2.6Å
41E88.2Confident88.2Confident146 Ų14682.1 Ų82.168%0.68242%0.416SS*.SBendtrans-130.2162.2179.864.1-177.6-17700112.1T39 Q43 V66T39-E41 VanDerWaalsContact CG2-O 3.24Å; T39-E41 WeakPolarHBondContact CG2-O 3.31Å; E41-Q43 PolarHBondContact O-N 2.87Å; E41-V66 VanDerWaalsContact O-CG2 3.23Å; E41-V66 WeakPolarHBondContact O-CG2 3.23Å
42I91Very high87Confident49 Ų4983.9 Ų83.925%0.25142%0.42SS..  trans-61126.3176-64.6173.7000109.2V44 W63 D64 I65I42-V44 HydrophobicContact CG2-CG2 4.36Å; I42-W63 HydrophobicContact CG2-CE3 3.85Å; I42-W63 HydrophobicContact CG2-CZ3 4.38Å; I42-D64 WeakPolarHBondContact CA-O 3.48Å; I42-I65 HydrophobicContact CD1-CD1 4.12Å; I42-I65 HydrophobicContact CG1-CD1 4.29Å; I42-I65 HydrophobicContact CG2-CD1 4.04Å
43Q93Very high85.5Confident71 Ų7185.8 Ų85.833%0.33244%0.444SS..EExtended strand (participates in β ladder)trans-103.4141.9173.8-62-174.2-16.200110.4M24 T39 E41 W63 D64M24-Q43 HydrophobicContact CE-CB 3.81Å; M24-Q43 VanDerWaalsContact CE-OE1 3.3Å; M24-Q43 HydrophobicContact SD-CB 4.34Å; T39-Q43 HydrophobicContact CG2-CG 3.75Å; E41-Q43 PolarHBondContact O-N 2.87Å; Q43-W63 CarbonylContact O-C 3.57Å; Q43-W63 WeakPolarHBondContact O-CA 3.41Å; Q43-D64 HydrophobicContact CB-CB 4.25Å; Q43-D64 PolarHBondContact N-O 2.95Å; Q43-D64 VanDerWaalsContact N-O 3.15Å; Q43-D64 PolarHBondContact O-N 3.34Å
44V93.7Very high84.3Confident78 Ų7880.1 Ų80.147%0.47343%0.427SS..EExtended strand (participates in β ladder)trans-123.8131.7177.4-175.10000109.8I42 I62 W63I42-V44 HydrophobicContact CG2-CG2 4.36Å; V44-I62 CarbonylContact C-O 3.57Å; V44-I62 VanDerWaalsContact CA-O 3.32Å; V44-I62 WeakPolarHBondContact CA-O 3.31Å; V44-W63 HydrophobicContact CG2-CD2 3.68Å; V44-W63 HydrophobicContact CG2-CE3 3.92Å; V44-W63 HydrophobicContact CG2-CG 4.09Å; V44-W63 HydrophobicContact CG2-CH2 4.35Å; V44-W63 HydrophobicContact CG2-CZ2 4.16Å; V44-W63 HydrophobicContact CG2-CZ3 4.24Å
45A93.5Very high83.2Confident8 Ų881.9 Ų81.97%0.06644%0.441CS..EExtended strand (participates in β ladder)trans-132.3136.417500000110.6M24 Q28 I62M24-A45 HydrophobicContact CG-CB 3.65Å; M24-A45 HydrophobicContact SD-CB 3.6Å; Q28-A45 HydrophobicContact CG-CB 4.11Å; A45-I62 PolarHBondContact N-O 2.78Å; A45-I62 PolarHBondContact O-N 2.78Å
46S91.5Very high82.2Confident57 Ų5781 Ų8140%0.39943%0.432SS..EExtended strand (participates in β ladder)trans-98.9135172.5-56.50000110.9K59 V60 D61S46-K59 WeakPolarHBondContact OG-CE 3.41Å; S46-K59 PolarHBondContact OG-NZ 2.79Å; S46-V60 CarbonylContact C-O 3.57Å; S46-V60 WeakPolarHBondContact CA-O 3.33Å; S46-D61 WeakPolarHBondContact CB-OD1 3.24Å; S46-D61 PolarHBondContact OG-OD1 3.05Å
47V88.4Confident81.4Confident12 Ų1281.5 Ų81.57%0.07344%0.441CS..EExtended strand (participates in β ladder)trans-124.9137.9171.7-60.40000110.2Q28 V60 I62Q28-V47 HydrophobicContact CB-CG1 4.29Å; Q28-V47 HydrophobicContact CG-CG1 3.65Å; V47-V60 HydrophobicContact CG2-CB 3.78Å; V47-V60 HydrophobicContact CG2-CG1 4.37Å; V47-V60 PolarHBondContact N-O 2.83Å; V47-V60 PolarHBondContact O-N 2.99Å; V47-I62 HydrophobicContact CG1-CD1 3.91Å; V47-I62 HydrophobicContact CG2-CD1 3.8Å; V47-I62 HydrophobicContact CG2-CG1 4.45Å
48S84Confident80.8Confident98 Ų9875.5 Ų75.569%0.68541%0.414SS*.EExtended strand (participates in β ladder)trans-82.3122.4173.4-630000109.5
49W79.9Confident80.6Confident12 Ų1277.5 Ų77.55%0.04542%0.416CS..EExtended strand (participates in β ladder)trans-114.7119.1-173.7-163.1-96.3000111.8Y51 V58 V60 Y188 L191 N192W49-Y51 PolarHBondContact O-N 3.25Å; W49-V58 WeakPolarHBondContact CA-O 3.11Å; W49-V58 VanDerWaalsContact CB-O 3.29Å; W49-V58 WeakPolarHBondContact CB-O 3.4Å; W49-V58 PolarHBondContact N-O 2.92Å; W49-V58 PolarHBondContact O-N 3.21Å; W49-V60 HydrophobicContact CB-CG2 3.66Å; W49-V60 HydrophobicContact CG-CG2 4.18Å; W49-Y188 HydrophobicContact CE3-CD1 4.49Å; W49-Y188 HydrophobicContact CE3-CE1 4.16Å; W49-Y188 VanDerWaalsContact CH2-CA 3.42Å; W49-Y188 AromaticContact CH2-CD1 2.87Å; W49-Y188 HydrophobicContact CH2-CD1 2.87Å; W49-Y188 AromaticContact CH2-CD2 3.58Å; W49-Y188 HydrophobicContact CH2-CD2 3.58Å; W49-Y188 AromaticContact CH2-CE1 3.14Å; W49-Y188 HydrophobicContact CH2-CE1 3.14Å; W49-Y188 AromaticContact CH2-CE2 3.83Å; W49-Y188 HydrophobicContact CH2-CE2 3.83Å; W49-Y188 AromaticContact CH2-CG 3.08Å; W49-Y188 HydrophobicContact CH2-CG 3.08Å; W49-Y188 AromaticContact CH2-CZ 3.6Å; W49-Y188 AromaticContact CZ2-CD1 3.04Å; W49-Y188 HydrophobicContact CZ2-CD1 3.04Å; W49-Y188 HydrophobicContact CZ2-CD2 4.35Å; W49-Y188 AromaticContact CZ2-CE1 3.67Å; W49-Y188 HydrophobicContact CZ2-CE1 3.67Å; W49-Y188 AromaticContact CZ2-CG 3.42Å; W49-Y188 HydrophobicContact CZ2-CG 3.42Å; W49-Y188 VanDerWaalsContact CZ2-CG 3.42Å; W49-Y188 VanDerWaalsContact CZ2-O 3.31Å; W49-Y188 WeakPolarHBondContact CZ2-O 3.45Å; W49-Y188 AromaticContact CZ3-CD1 3.67Å; W49-Y188 HydrophobicContact CZ3-CD1 3.67Å; W49-Y188 HydrophobicContact CZ3-CD2 4.36Å; W49-Y188 AromaticContact CZ3-CE1 3.39Å; W49-Y188 HydrophobicContact CZ3-CE1 3.39Å; W49-Y188 HydrophobicContact CZ3-CE2 4.15Å; W49-Y188 HydrophobicContact CZ3-CG 4.12Å; W49-Y188 AromaticContact CZ3-CZ 3.64Å; W49-L191 HydrophobicContact CD2-CD1 4.36Å; W49-L191 HydrophobicContact CE3-CD1 4.05Å; W49-L191 HydrophobicContact CH2-CB 4.38Å; W49-L191 HydrophobicContact CH2-CD1 3.58Å; W49-L191 HydrophobicContact CH2-CG 4.49Å; W49-L191 HydrophobicContact CZ2-CB 3.98Å; W49-L191 HydrophobicContact CZ2-CD1 4.04Å; W49-L191 HydrophobicContact CZ3-CD1 3.64Å; W49-N192 PolarHBondContact NE1-OD1 3.09Å; W49-N192 VanDerWaalsContact NE1-OD1 3.09Å
50N74.7Confident80.6Confident113 Ų11376.7 Ų76.760%0.60441%0.411SS*.EExtended strand (participates in β ladder)trans-88.2107.1178-63.4-13.8000109.4K52 I57N50-K52 PolarHBondContact O-N 3.3Å; N50-I57 WeakPolarHBondContact OD1-CG1 3.21Å
51Y67.4Low80.8Confident24 Ų2471.9 Ų71.99%0.09439%0.389CS..  trans-76114.2177.5-178.9-106.1000109.9W49 A53 S54 N192 F195 L196W49-Y51 PolarHBondContact O-N 3.25Å; Y51-A53 HydrophobicContact CD1-CB 3.9Å; Y51-A53 HydrophobicContact CE1-CB 3.24Å; Y51-A53 PolarHBondContact O-N 3.15Å; Y51-S54 WeakPolarHBondContact CD1-OG 3.42Å; Y51-S54 CarbonylContact O-C 3.56Å; Y51-S54 PolarHBondContact O-N 3.21Å; Y51-S54 VanDerWaalsContact O-N 3.08Å; Y51-N192 HydrophobicContact CD2-CB 4.17Å; Y51-N192 HydrophobicContact CE2-CB 3.85Å; Y51-F195 AromaticContact CD1-CD1 3.76Å; Y51-F195 HydrophobicContact CD1-CD1 3.76Å; Y51-F195 AromaticContact CD1-CE1 3.38Å; Y51-F195 HydrophobicContact CD1-CE1 3.38Å; Y51-F195 HydrophobicContact CD1-CZ 4.24Å; Y51-F195 HydrophobicContact CD2-CB 4.41Å; Y51-F195 AromaticContact CD2-CD1 3.54Å; Y51-F195 HydrophobicContact CD2-CD1 3.54Å; Y51-F195 HydrophobicContact CD2-CE1 4.04Å; Y51-F195 HydrophobicContact CD2-CG 4.13Å; Y51-F195 AromaticContact CE1-CD1 3.71Å; Y51-F195 HydrophobicContact CE1-CD1 3.71Å; Y51-F195 AromaticContact CE1-CE1 3.49Å; Y51-F195 HydrophobicContact CE1-CE1 3.49Å; Y51-F195 VanDerWaalsContact CE1-CE1 3.49Å; Y51-F195 HydrophobicContact CE2-CB 4.45Å; Y51-F195 AromaticContact CE2-CD1 3.49Å; Y51-F195 HydrophobicContact CE2-CD1 3.49Å; Y51-F195 VanDerWaalsContact CE2-CD1 3.49Å; Y51-F195 HydrophobicContact CE2-CE1 4.14Å; Y51-F195 HydrophobicContact CE2-CG 4.31Å; Y51-F195 AromaticContact CG-CD1 3.67Å; Y51-F195 HydrophobicContact CG-CD1 3.67Å; Y51-F195 AromaticContact CG-CE1 3.67Å; Y51-F195 HydrophobicContact CG-CE1 3.67Å; Y51-F195 HydrophobicContact CG-CG 4.4Å; Y51-F195 HydrophobicContact CG-CZ 4.42Å; Y51-F195 AromaticContact CZ-CD1 3.59Å; Y51-F195 AromaticContact CZ-CE1 3.89Å; Y51-L196 WeakPolarHBondContact OH-CD2 3.23Å
52K64.8Low81Confident205 Ų20565 Ų6589%0.89136%0.357SS*.THydrogen-bonded Turntrans-59.6-19.9-170.4-72.4-169.5175.2-170.80116.1N50N50-K52 PolarHBondContact O-N 3.3Å
53A61.9Low81.2Confident84 Ų8466.3 Ų66.369%0.69436%0.359SS*.THydrogen-bonded Turntrans-92.7-6.3-178.500000113.8Y51Y51-A53 HydrophobicContact CD1-CB 3.9Å; Y51-A53 HydrophobicContact CE1-CB 3.24Å; Y51-A53 PolarHBondContact O-N 3.15Å
54S64.5Low81.3Confident28 Ų2863 Ų6320%0.19634%0.343CS..SBendtrans-135.1148.6173.463.70000109.5Y51 D56Y51-S54 WeakPolarHBondContact CD1-OG 3.42Å; Y51-S54 CarbonylContact O-C 3.56Å; Y51-S54 PolarHBondContact O-N 3.21Å; Y51-S54 VanDerWaalsContact O-N 3.08Å; S54-D56 PolarHBondContact O-N 3.44Å; S54-D56 WeakPolarHBondContact OG-CB 3.4Å; S54-D56 PolarHBondContact OG-N 3.16Å
55N68Low81.3Confident175 Ų17559.3 Ų59.394%0.93632%0.321SS*.SBendtrans-72.29.9168.8-78.3-18.6000113
56D69.9Low80.9Confident89 Ų8959.7 Ų59.748%0.47632%0.323SS..PPolyproline II helixtrans-79.6135.2179.2-58.4-35.9000111.8S54S54-D56 PolarHBondContact O-N 3.44Å; S54-D56 WeakPolarHBondContact OG-CB 3.4Å; S54-D56 PolarHBondContact OG-N 3.16Å
57I74.1Confident80.2Confident114 Ų11457.4 Ų57.459%0.58531%0.306SS*.EExtended strand (participates in β ladder)trans-96.9116.8173.7-54.7-177.4000107.3N50N50-I57 WeakPolarHBondContact OD1-CG1 3.21Å
58V79.1Confident79.1Confident13 Ų1363.4 Ų63.48%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-96.1130178.3-178.70000108.7V8 W49 F195V8-V58 HydrophobicContact CB-CG1 4.34Å; V8-V58 HydrophobicContact CG2-CG1 3.6Å; W49-V58 WeakPolarHBondContact CA-O 3.11Å; W49-V58 VanDerWaalsContact CB-O 3.29Å; W49-V58 WeakPolarHBondContact CB-O 3.4Å; W49-V58 PolarHBondContact N-O 2.92Å; W49-V58 PolarHBondContact O-N 3.21Å; V58-F195 HydrophobicContact CG1-CD2 4.49Å; V58-F195 HydrophobicContact CG2-CD2 3.58Å; V58-F195 HydrophobicContact CG2-CE2 3.39Å; V58-F195 HydrophobicContact CG2-CZ 4.24Å
59K86.7Confident77.7Confident105 Ų10561.1 Ų61.146%0.45731%0.311SS..EExtended strand (participates in β ladder)trans-79.9123.5171.1-172.5-175.6177.5-156.50108.9S7 V8 S46 D61S7-K59 CarbonylContact C-O 3.58Å; S7-K59 WeakPolarHBondContact CA-O 3.09Å; V8-K59 PolarHBondContact N-O 3.37Å; S46-K59 WeakPolarHBondContact OG-CE 3.41Å; S46-K59 PolarHBondContact OG-NZ 2.79Å; K59-D61 VanDerWaalsContact CE-OD1 3.23Å; K59-D61 WeakPolarHBondContact CE-OD1 3.21Å; K59-D61 IonicContact NZ-OD1 3.53Å
60V89.3Confident76.4Confident3 Ų369.2 Ų69.22%0.01834%0.341CS..EExtended strand (participates in β ladder)trans-106.9118.5175-178.20000108.7V8 V10 S46 V47 W49 I62 L191V8-V60 HydrophobicContact CB-CG2 4.32Å; V8-V60 CarbonylContact O-C 3.41Å; V8-V60 VanDerWaalsContact O-CA 3.29Å; V8-V60 WeakPolarHBondContact O-CA 3.35Å; V10-V60 HydrophobicContact CB-CG1 4.42Å; V10-V60 HydrophobicContact CG2-CG1 3.77Å; S46-V60 CarbonylContact C-O 3.57Å; S46-V60 WeakPolarHBondContact CA-O 3.33Å; V47-V60 HydrophobicContact CG2-CB 3.78Å; V47-V60 HydrophobicContact CG2-CG1 4.37Å; V47-V60 PolarHBondContact N-O 2.83Å; V47-V60 PolarHBondContact O-N 2.99Å; W49-V60 HydrophobicContact CB-CG2 3.66Å; W49-V60 HydrophobicContact CG-CG2 4.18Å; V60-I62 HydrophobicContact CG1-CG1 4.19Å; V60-L191 HydrophobicContact CG1-CD2 4.46Å
61D92.7Very high75.4Confident25 Ų2573.3 Ų73.313%0.13435%0.348CS..EExtended strand (participates in β ladder)trans-94.7110.1174.5-69.4-26.7000108.9V8 K9 V10 S46 K59V8-D61 PolarHBondContact O-N 2.82Å; K9-D61 CarbonylContact C-O 3.5Å; K9-D61 WeakPolarHBondContact CA-O 3.11Å; V10-D61 PolarHBondContact N-O 3.38Å; S46-D61 WeakPolarHBondContact CB-OD1 3.24Å; S46-D61 PolarHBondContact OG-OD1 3.05Å; K59-D61 VanDerWaalsContact CE-OD1 3.23Å; K59-D61 WeakPolarHBondContact CE-OD1 3.21Å; K59-D61 IonicContact NZ-OD1 3.53Å
62I93.7Very high74.2Confident1 Ų181.8 Ų81.81%0.00539%0.386CS..EExtended strand (participates in β ladder)trans-92.8124.9-179.8-58.8162.5000108.3V10 I12 M24 L27 V44 A45 V47 V60V10-I62 WeakPolarHBondContact O-CA 3.42Å; I12-I62 HydrophobicContact CD1-CG2 3.35Å; I12-I62 HydrophobicContact CG1-CG2 3.92Å; M24-I62 HydrophobicContact CB-CG2 4.11Å; M24-I62 HydrophobicContact CG-CB 4.29Å; M24-I62 HydrophobicContact CG-CG2 3.81Å; M24-I62 HydrophobicContact SD-CG2 4.35Å; L27-I62 HydrophobicContact CB-CD1 3.62Å; L27-I62 HydrophobicContact CD1-CD1 3.55Å; L27-I62 HydrophobicContact CD1-CG1 4.35Å; L27-I62 HydrophobicContact CG-CD1 4.22Å; V44-I62 CarbonylContact C-O 3.57Å; V44-I62 VanDerWaalsContact CA-O 3.32Å; V44-I62 WeakPolarHBondContact CA-O 3.31Å; A45-I62 PolarHBondContact N-O 2.78Å; A45-I62 PolarHBondContact O-N 2.78Å; V47-I62 HydrophobicContact CG1-CD1 3.91Å; V47-I62 HydrophobicContact CG2-CD1 3.8Å; V47-I62 HydrophobicContact CG2-CG1 4.45Å; V60-I62 HydrophobicContact CG1-CG1 4.19Å
63W94.7Very high73.1Confident78 Ų7882.7 Ų82.730%0.29538%0.384SS..EExtended strand (participates in β ladder)trans-112.2106.7179.5-70.657.4000109.2K9 V10 L11 I12 I42 Q43 V44 I65K9-W63 HydrophobicContact CG-CG 4.44Å; V10-W63 PolarHBondContact O-N 2.87Å; L11-W63 HydrophobicContact CD2-CB 3.7Å; L11-W63 HydrophobicContact CD2-CG 4.07Å; I12-W63 PolarHBondContact N-O 2.59Å; I42-W63 HydrophobicContact CG2-CE3 3.85Å; I42-W63 HydrophobicContact CG2-CZ3 4.38Å; Q43-W63 CarbonylContact O-C 3.57Å; Q43-W63 WeakPolarHBondContact O-CA 3.41Å; V44-W63 HydrophobicContact CG2-CD2 3.68Å; V44-W63 HydrophobicContact CG2-CE3 3.92Å; V44-W63 HydrophobicContact CG2-CG 4.09Å; V44-W63 HydrophobicContact CG2-CH2 4.35Å; V44-W63 HydrophobicContact CG2-CZ2 4.16Å; V44-W63 HydrophobicContact CG2-CZ3 4.24Å; W63-I65 HydrophobicContact CB-CD1 4.01Å; W63-I65 HydrophobicContact CE3-CD1 4.48Å; W63-I65 PolarHBondContact O-N 2.99Å
64D94.9Very high72.2Confident0 Ų083.8 Ų83.80%038%0.384CS..EExtended strand (participates in β ladder)trans-80.2105.2171.4-175.39.9000109.3K20 T21 M24 I42 Q43K20-D64 WeakPolarHBondContact CB-OD1 3.21Å; K20-D64 VanDerWaalsContact CE-OD1 3.23Å; K20-D64 WeakPolarHBondContact CE-OD1 3.02Å; T21-D64 VanDerWaalsContact CA-OD2 3.23Å; T21-D64 WeakPolarHBondContact CA-OD2 3.2Å; T21-D64 WeakPolarHBondContact CB-OD2 3.4Å; T21-D64 PolarHBondContact N-OD2 3.2Å; T21-D64 PolarHBondContact OG1-OD2 2.75Å; M24-D64 HydrophobicContact CE-CB 4.31Å; M24-D64 HydrophobicContact SD-CB 4.04Å; I42-D64 WeakPolarHBondContact CA-O 3.48Å; Q43-D64 HydrophobicContact CB-CB 4.25Å; Q43-D64 PolarHBondContact N-O 2.95Å; Q43-D64 VanDerWaalsContact N-O 3.15Å; Q43-D64 PolarHBondContact O-N 3.34Å
65I93Very high71.3Confident1 Ų188 Ų881%0.00541%0.408CS..  trans-88.5126.4-173.9-54.9-58.5000110.2L11 I12 R13 K20 I42 W63 D67 A95 I100L11-I65 HydrophobicContact CB-CG1 4.39Å; L11-I65 HydrophobicContact CD2-CD1 4.29Å; I12-I65 WeakPolarHBondContact O-CB 3.42Å; I12-I65 PolarHBondContact O-N 3.05Å; R13-I65 HydrophobicContact CG-CB 3.97Å; R13-I65 HydrophobicContact CG-CG1 4.03Å; R13-I65 HydrophobicContact CG-CG2 4.32Å; K20-I65 VanDerWaalsContact CE-O 3.23Å; K20-I65 WeakPolarHBondContact CE-O 2.98Å; I42-I65 HydrophobicContact CD1-CD1 4.12Å; I42-I65 HydrophobicContact CG1-CD1 4.29Å; I42-I65 HydrophobicContact CG2-CD1 4.04Å; W63-I65 HydrophobicContact CB-CD1 4.01Å; W63-I65 HydrophobicContact CE3-CD1 4.48Å; W63-I65 PolarHBondContact O-N 2.99Å; I65-D67 PolarHBondContact O-N 3.2Å; I65-A95 HydrophobicContact CG2-CB 4.19Å; I65-I100 HydrophobicContact CG2-CD1 4.15Å
66V86.7Confident70.1Confident17 Ų1783.8 Ų83.810%0.10339%0.392CS..  trans-85.891.5172.3-176.90000109.4T39 E41 R68T39-V66 HydrophobicContact CG2-CG2 3.76Å; T39-V66 WeakPolarHBondContact O-CG1 3.41Å; T39-V66 VanDerWaalsContact O-CG2 3.31Å; T39-V66 WeakPolarHBondContact O-CG2 3.33Å; E41-V66 VanDerWaalsContact O-CG2 3.23Å; E41-V66 WeakPolarHBondContact O-CG2 3.23Å; V66-R68 PolarHBondContact O-N 3.23Å
67D75.3Confident68.4Low8 Ų887 Ų874%0.04341%0.409CS..  trans-78.9117.3173.3-71.1-56.6000110.3R13 I65 S69 Y121R13-D67 WeakPolarHBondContact CB-OD2 3.49Å; R13-D67 IonicContact CZ-OD1 3.39Å; R13-D67 IonicContact CZ-OD2 3.58Å; R13-D67 IonicContact NE-OD1 2.84Å; R13-D67 PolarHBondContact NE-OD1 3.33Å; R13-D67 IonicContact NE-OD2 3.95Å; R13-D67 PolarHBondContact NE-OD2 3.31Å; R13-D67 VanDerWaalsContact NH2-CG 3.31Å; R13-D67 IonicContact NH2-OD1 2.76Å; R13-D67 PolarHBondContact NH2-OD1 3.06Å; R13-D67 IonicContact NH2-OD2 3.45Å; R13-D67 PolarHBondContact NH2-OD2 3.41Å; I65-D67 PolarHBondContact O-N 3.2Å; D67-S69 PolarHBondContact O-N 3.23Å; D67-S69 VanDerWaalsContact O-N 3.16Å; D67-Y121 HydrophobicContact CB-CE2 4.02Å; D67-Y121 WeakPolarHBondContact CB-OH 3.41Å; D67-Y121 PolarHBondContact OD2-OH 3.04Å
68R66.2Low67Low139 Ų13987.8 Ų87.853%0.52541%0.413SS..  trans-73.7104.8168.4-66.9-173-179.7-160-5107.6V66 R70 S92 D94V66-R68 PolarHBondContact O-N 3.23Å; R68-R70 PolarHBondContact O-N 3.02Å; R68-S92 VanDerWaalsContact CZ-CB 3.42Å; R68-S92 VanDerWaalsContact NH1-CB 3.31Å; R68-D94 HydrophobicContact CG-CB 4.36Å
69S54.1Low65.2Low49 Ų4994.2 Ų94.234%0.34345%0.446SS..  trans-57.6104.1173.7-174.30000109D67 R71D67-S69 PolarHBondContact O-N 3.23Å; D67-S69 VanDerWaalsContact O-N 3.16Å; S69-R71 PolarHBondContact O-N 3.26Å
70R53.2Low63Low182 Ų18298.4 Ų98.469%0.68747%0.465SS*.  trans-68.372.6169.5-69.2-176177.5-164.1-1107.7R68 K72 S96R68-R70 PolarHBondContact O-N 3.02Å; R70-K72 VanDerWaalsContact C-N 3.32Å; R70-K72 PolarHBondContact O-N 3.41Å; R70-S96 PolarHBondContact NH2-OG 3.46Å
71R52.3Low60.7Low199 Ų199106.5 Ų106.575%0.75151%0.507SS*.  trans-57109.8155.3-75.8-164.7179.1-1711104.7S69 R73S69-R71 PolarHBondContact O-N 3.26Å; R71-R73 PolarHBondContact O-N 3.17Å
72K43.5Very low58.2Low203 Ų203113.4 Ų113.488%0.88354%0.538SS*.  trans-5396.5167.1-70.6-178176.1-178.30105.8R70R70-K72 VanDerWaalsContact C-N 3.32Å; R70-K72 PolarHBondContact O-N 3.41Å
73R42Very low55.7Low223 Ų223120.1 Ų120.184%0.84258%0.575SS**  trans-59.8125.4158.1-71.4-172.5179.9-172.81.1104.1R71 V75R71-R73 PolarHBondContact O-N 3.17Å; R73-V75 PolarHBondContact O-N 2.89Å
74P43Very low53.4Low108 Ų108122 Ų12270%0.70159%0.594SS**  trans-57.5120.9169.123.9-28.7000106S76P74-S76 PolarHBondContact O-N 2.96Å
75V45.7Very low50.7Low117 Ų117130.7 Ų130.771%0.70964%0.635SS**  trans-71.881.3170.8-178.10000106.1R73 I78R73-V75 PolarHBondContact O-N 2.89Å; V75-I78 HydrophobicContact CG1-CD1 3.6Å; V75-I78 HydrophobicContact CG1-CG1 3.58Å
76S41.5Very low47.8Very low85 Ų85134.6 Ų134.659%0.59468%0.675SS**  trans-107.5122.9162.153.40000106.7P74P74-S76 PolarHBondContact O-N 2.96Å
77N35.3Very low45.5Very low157 Ų157142.5 Ų142.584%0.8471%0.711SS**  trans88.853.7-175.8-47.9-11000114.7
78I44.6Very low43.7Very low130 Ų130151.4 Ų151.467%0.66775%0.752SS**  trans-63.1138.4136.4-66.5160.2000105.9V75V75-I78 HydrophobicContact CG1-CD1 3.6Å; V75-I78 HydrophobicContact CG1-CG1 3.58Å
79L41Very low42.2Very low148 Ų148151 Ų15178%0.77577%0.766SS**  trans104.7118.3176.3-54.3172.9000114.1
80K41Very low41.5Very low193 Ų193157.1 Ų157.184%0.83979%0.789SS**  trans93.393.5169.7-52.6176.1-175-178.20113.9
81L41.2Very low40.6Very low174 Ų174154.6 Ų154.691%0.91179%0.793SS**  -170.9126.8100.3-88.7152.1000108.7
82E39.8Very low40Very low169 Ų169147 Ų14779%0.7977%0.771SS**  trans-73.5147.2171.4-65.2172.8141.200109.7
83N40.1Very low40Very low143 Ų143144 Ų14477%0.76576%0.763SS**  trans78143.7151-57.7-25.5000120.1
84V47.2Very low40.3Very low116 Ų116134.3 Ų134.370%0.70373%0.728SS**  trans98.491152.8-158.70000116.1
85E37.7Very low40.6Very low184 Ų184130.2 Ų130.286%0.8670%0.704SS**  trans66.7109.1133.8-59.5173.2177.100119.9
86G32.3Very low41.1Very low82 Ų82127.2 Ų127.285%0.84569%0.688SS**  75.369.4128.800000117.8
87E38.3Very low41.5Very low184 Ų184131 Ų13186%0.8669%0.694SS**  trans-115.5124.3155.1-90.7-180161.200109.8T89E87-T89 PolarHBondContact O-N 3.07Å
88Q38Very low42.8Very low194 Ų194127.3 Ų127.391%0.90767%0.673SS**  trans-57.4110.1174.5-66.1173.63.600108.4E90Q88-E90 VanDerWaalsContact C-N 3.34Å; Q88-E90 PolarHBondContact O-N 3.18Å
89T33.8Very low44.5Very low132 Ų132125.9 Ų125.981%0.8167%0.667SS**  trans-66.296.5169.9-31.20000107.4E87 V91E87-T89 PolarHBondContact O-N 3.07Å; T89-V91 PolarHBondContact O-N 3.24Å
90E39.1Very low46.7Very low177 Ų177119.3 Ų119.383%0.82763%0.633SS**  trans-53.3112.3163.7-87.4-168.3159.600107.2Q88 S92Q88-E90 VanDerWaalsContact C-N 3.34Å; Q88-E90 PolarHBondContact O-N 3.18Å; E90-S92 VanDerWaalsContact C-N 3.25Å; E90-S92 PolarHBondContact O-N 3.03Å
91V34.5Very low49.1Very low128 Ų128111.6 Ų111.678%0.77660%0.598SS**  trans-62.793.7173.2179.30000106.4T89 L93T89-V91 PolarHBondContact O-N 3.24Å; V91-L93 PolarHBondContact O-N 2.87Å; V91-L93 VanDerWaalsContact O-N 3.15Å
92S41Very low51.4Low40 Ų40110.1 Ų110.128%0.2859%0.587SS.*  trans-66.8114.5170.858.80000108R68 E90 D94R68-S92 VanDerWaalsContact CZ-CB 3.42Å; R68-S92 VanDerWaalsContact NH1-CB 3.31Å; E90-S92 VanDerWaalsContact C-N 3.25Å; E90-S92 PolarHBondContact O-N 3.03Å; S92-D94 PolarHBondContact O-N 3.1Å; S92-D94 VanDerWaalsContact O-OD1 3.05Å; S92-D94 PolarHBondContact OG-OD1 2.9Å; S92-D94 VanDerWaalsContact OG-OD1 3.09Å
93L43.1Very low53.7Low140 Ų140104.8 Ų104.873%0.73358%0.577SS**  trans-71.457.1161.6-67.6166.2000108.9V91 I98V91-L93 PolarHBondContact O-N 2.87Å; V91-L93 VanDerWaalsContact O-N 3.15Å; L93-I98 HydrophobicContact CD2-CD1 4.27Å
94D47.8Very low56.2Low20 Ų2098.4 Ų98.411%0.10754%0.544CS..  trans-77.7143.2176.664.7-52000109.9R68 S92 S96 F97R68-D94 HydrophobicContact CG-CB 4.36Å; S92-D94 PolarHBondContact O-N 3.1Å; S92-D94 VanDerWaalsContact O-OD1 3.05Å; S92-D94 PolarHBondContact OG-OD1 2.9Å; S92-D94 VanDerWaalsContact OG-OD1 3.09Å; D94-S96 PolarHBondContact O-N 2.58Å; D94-S96 WeakPolarHBondContact OD2-CB 3.41Å; D94-S96 PolarHBondContact OD2-OG 3.48Å; D94-F97 PolarHBondContact O-N 3.4Å; D94-F97 VanDerWaalsContact O-N 3.07Å; D94-F97 WeakPolarHBondContact OD1-CD2 3.33Å; D94-F97 VanDerWaalsContact OD1-CE2 3.25Å; D94-F97 WeakPolarHBondContact OD1-CE2 3.23Å
95A50.5Low58.4Low22 Ų2294.9 Ų94.918%0.18252%0.522CS..THydrogen-bonded Turntrans-56-0.4179.200000114.6I65 I100I65-A95 HydrophobicContact CG2-CB 4.19Å; A95-I100 HydrophobicContact CB-CD1 4.35Å; A95-I100 HydrophobicContact CB-CG2 4.1Å
96S55.3Low61Low54 Ų5486.1 Ų86.138%0.37848%0.481SS..THydrogen-bonded Turntrans-83.4-13.7174.685.70000114.7R70 D94R70-S96 PolarHBondContact NH2-OG 3.46Å; D94-S96 PolarHBondContact O-N 2.58Å; D94-S96 WeakPolarHBondContact OD2-CB 3.41Å; D94-S96 PolarHBondContact OD2-OG 3.48Å
97F49.1Very low64Low165 Ų16582.2 Ų82.272%0.72444%0.441SS*.THydrogen-bonded Turntrans-110.8-11.5176.2-64.5-83.5000114.6D94D94-F97 PolarHBondContact O-N 3.4Å; D94-F97 VanDerWaalsContact O-N 3.07Å; D94-F97 WeakPolarHBondContact OD1-CD2 3.33Å; D94-F97 VanDerWaalsContact OD1-CE2 3.25Å; D94-F97 WeakPolarHBondContact OD1-CE2 3.23Å
98I63.4Low66.8Low78 Ų7873.5 Ų73.540%0.440%0.4SS..SBendtrans-109128.1-179.3-59.5173000107.5L93 I100L93-I98 HydrophobicContact CD2-CD1 4.27Å; I98-I100 HydrophobicContact CB-CG2 4.28Å; I98-I100 HydrophobicContact CG2-CG2 4.16Å; I98-I100 PolarHBondContact O-N 3.23Å
99D80.8Confident69.6Low100 Ų10064.3 Ų64.354%0.53536%0.357SS..  trans-69.581.9165.2-175.63.8000109Y101 Q102D99-Y101 PolarHBondContact O-N 2.83Å; D99-Y101 VanDerWaalsContact O-N 3.15Å; D99-Y101 PolarHBondContact OD1-N 2.56Å; D99-Q102 HydrophobicContact CB-CB 4.34Å; D99-Q102 VanDerWaalsContact O-CB 3.29Å; D99-Q102 WeakPolarHBondContact O-CB 3.29Å; D99-Q102 PolarHBondContact O-N 2.83Å; D99-Q102 PolarHBondContact OD1-N 2.91Å
100I87Confident72.6Confident11 Ų1158 Ų586%0.05632%0.318CS..THydrogen-bonded Turntrans-60-25.5-178.857.5171.7000111.9L11 R13 I65 A95 I98 Q102L11-I100 HydrophobicContact CD1-CB 4.42Å; L11-I100 HydrophobicContact CD1-CG1 4.39Å; L11-I100 VanDerWaalsContact CD1-O 3.28Å; L11-I100 WeakPolarHBondContact CD1-O 3.32Å; R13-I100 HydrophobicContact CG-CD1 4.46Å; I65-I100 HydrophobicContact CG2-CD1 4.15Å; A95-I100 HydrophobicContact CB-CD1 4.35Å; A95-I100 HydrophobicContact CB-CG2 4.1Å; I98-I100 HydrophobicContact CB-CG2 4.28Å; I98-I100 HydrophobicContact CG2-CG2 4.16Å; I98-I100 PolarHBondContact O-N 3.23Å; I100-Q102 VanDerWaalsContact C-N 3.29Å
101Y91.3Very high75.4Confident30 Ų3049.6 Ų49.612%0.11828%0.279CS..THydrogen-bonded Turntrans-78.5-14-179.8-59.2-62.9000112.9L11 R13 D99 G103 A104 V107 S128 V129 P130 L133L11-Y101 HydrophobicContact CD1-CD1 3.64Å; L11-Y101 HydrophobicContact CD1-CE1 4.13Å; L11-Y101 HydrophobicContact CD1-CG 4.49Å; R13-Y101 PolarHBondContact NH1-OH 2.73Å; D99-Y101 PolarHBondContact O-N 2.83Å; D99-Y101 VanDerWaalsContact O-N 3.15Å; D99-Y101 PolarHBondContact OD1-N 2.56Å; Y101-G103 PolarHBondContact O-N 2.85Å; Y101-G103 VanDerWaalsContact O-N 3.15Å; Y101-A104 VanDerWaalsContact O-CB 3.27Å; Y101-A104 WeakPolarHBondContact O-CB 3.45Å; Y101-A104 PolarHBondContact O-N 2.83Å; Y101-V107 HydrophobicContact CD1-CG2 3.95Å; Y101-V107 HydrophobicContact CE1-CG1 4.44Å; Y101-V107 HydrophobicContact CE1-CG2 3.85Å; Y101-S128 PolarHBondContact OH-OG 3.41Å; Y101-V129 HydrophobicContact CE1-CB 4.47Å; Y101-V129 HydrophobicContact CE1-CG1 4.23Å; Y101-V129 HydrophobicContact CE1-CG2 4.09Å; Y101-V129 WeakPolarHBondContact OH-CG2 3.37Å; Y101-P130 HydrophobicContact CD2-CG 4.23Å; Y101-P130 HydrophobicContact CG-CG 4.11Å; Y101-L133 HydrophobicContact CD1-CD1 3.95Å; Y101-L133 HydrophobicContact CG-CD1 4.42Å
102Q88.9Confident78.4Confident143 Ų14343.6 Ų43.667%0.66824%0.242SC*.THydrogen-bonded Turntrans-57.6122.4176.6-168.1179.413.200110.5K9 D99 I100 A104K9-Q102 PolarHBondContact NZ-O 2.76Å; D99-Q102 HydrophobicContact CB-CB 4.34Å; D99-Q102 VanDerWaalsContact O-CB 3.29Å; D99-Q102 WeakPolarHBondContact O-CB 3.29Å; D99-Q102 PolarHBondContact O-N 2.83Å; D99-Q102 PolarHBondContact OD1-N 2.91Å; I100-Q102 VanDerWaalsContact C-N 3.29Å; Q102-A104 PolarHBondContact O-N 2.82Å
103G89.5Confident81.2Confident57 Ų5741.7 Ų41.759%0.58823%0.229SC*.THydrogen-bonded Turntrans68.16-177.700000114.9K9 Y101K9-G103 WeakPolarHBondContact CB-O 3.29Å; Y101-G103 PolarHBondContact O-N 2.85Å; Y101-G103 VanDerWaalsContact O-N 3.15Å
104A92.6Very high83.8Confident9 Ų936 Ų367%0.07420%0.2CC..  trans-67.2146.3171.900000110L11 Y101 Q102 L133L11-A104 HydrophobicContact CD1-CB 3.88Å; L11-A104 HydrophobicContact CD2-CB 4.42Å; L11-A104 HydrophobicContact CG-CB 3.87Å; Y101-A104 VanDerWaalsContact O-CB 3.27Å; Y101-A104 WeakPolarHBondContact O-CB 3.45Å; Y101-A104 PolarHBondContact O-N 2.83Å; Q102-A104 PolarHBondContact O-N 2.82Å; A104-L133 HydrophobicContact CB-CD1 3.98Å; A104-L133 HydrophobicContact CB-CD2 4.44Å; A104-L133 WeakPolarHBondContact O-CD2 3.38Å
105N92.2Very high86.1Confident43 Ų4336.9 Ų36.923%0.2320%0.203CC..SBendtrans-112-16.7175.4-55.4106.4000111.9V8 K9 P134 P194V8-N105 WeakPolarHBondContact CA-OD1 3.13Å; V8-N105 HydrophobicContact CG1-CB 3.77Å; K9-N105 PolarHBondContact N-OD1 2.85Å; K9-N105 PolarHBondContact O-N 2.97Å; N105-P134 WeakPolarHBondContact O-CD 3.23Å; N105-P134 WeakPolarHBondContact O-CG 3.43Å; N105-P194 HydrophobicContact CB-CB 4.07Å
106A93.6Very high88.4Confident0 Ų037.9 Ų37.90%021%0.207CC..EExtended strand (participates in β ladder)trans-157.7159.1173.400000111.8K9 V10 L11 P134 F190 P194K9-A106 PolarHBondContact O-N 3.09Å; V10-A106 HydrophobicContact CG1-CB 4.29Å; V10-A106 HydrophobicContact CG2-CB 4.13Å; L11-A106 PolarHBondContact N-O 2.57Å; A106-P134 HydrophobicContact CB-CG 4.11Å; A106-F190 HydrophobicContact CB-CE1 3.95Å; A106-F190 HydrophobicContact CB-CZ 4.12Å; A106-P194 HydrophobicContact CB-CG 3.6Å
107V95.1Very high90.3Very high0 Ų041.4 Ų41.40%021%0.213CC..EExtended strand (participates in β ladder)trans-128133.6173.7-175.20000110.1L11 Y101 L109 V129 L133 P134 I135 L136L11-V107 HydrophobicContact CB-CG2 4.46Å; L11-V107 HydrophobicContact CD1-CG2 4.35Å; L11-V107 CarbonylContact O-C 3.54Å; Y101-V107 HydrophobicContact CD1-CG2 3.95Å; Y101-V107 HydrophobicContact CE1-CG1 4.44Å; Y101-V107 HydrophobicContact CE1-CG2 3.85Å; V107-L109 HydrophobicContact CG1-CD2 4.41Å; V107-L109 HydrophobicContact CG1-CG 4.21Å; V107-V129 HydrophobicContact CB-CG1 4.25Å; V107-V129 HydrophobicContact CG1-CG2 4.38Å; V107-V129 HydrophobicContact CG2-CG1 3.81Å; V107-L133 HydrophobicContact CG2-CB 4.4Å; V107-L133 HydrophobicContact CG2-CD1 3.81Å; V107-P134 PolarHBondContact N-O 2.76Å; V107-I135 CarbonylContact O-C 3.57Å; V107-I135 VanDerWaalsContact O-CA 3.31Å; V107-I135 WeakPolarHBondContact O-CA 3.4Å; V107-L136 PolarHBondContact O-N 2.83Å
108I96.4Very high92.6Very high1 Ų133.5 Ų33.51%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-107.6116.9169.1-58175.3000107.3V10 L11 I12 R13 L23 L136 L138 L187 F190V10-I108 HydrophobicContact CG1-CD1 3.93Å; V10-I108 HydrophobicContact CG1-CG1 4.09Å; L11-I108 PolarHBondContact O-N 2.99Å; I12-I108 HydrophobicContact CG1-CB 4.44Å; I12-I108 HydrophobicContact CG1-CD1 4.35Å; R13-I108 PolarHBondContact N-O 2.87Å; L23-I108 HydrophobicContact CD2-CD1 4.28Å; L23-I108 HydrophobicContact CD2-CG2 4.13Å; I108-L136 CarbonylContact C-O 3.43Å; I108-L136 VanDerWaalsContact CA-O 3.28Å; I108-L136 WeakPolarHBondContact CA-O 3.04Å; I108-L136 HydrophobicContact CG1-CB 4.34Å; I108-L138 HydrophobicContact CG2-CB 4.11Å; I108-L138 HydrophobicContact CG2-CD2 4.35Å; I108-L187 HydrophobicContact CD1-CD2 3.73Å; I108-F190 HydrophobicContact CG1-CE1 4.16Å
109L96.8Very high94.2Very high0 Ų030.4 Ų30.40%016%0.161CC..EExtended strand (participates in β ladder)trans-100107.4172.5-71.9172000108.9R13 V107 V122 E125 L126 V129 I135 L136 V137 L138R13-L109 HydrophobicContact CB-CD2 3.77Å; R13-L109 WeakPolarHBondContact O-CA 3.43Å; V107-L109 HydrophobicContact CG1-CD2 4.41Å; V107-L109 HydrophobicContact CG1-CG 4.21Å; L109-V122 HydrophobicContact CB-CG1 4.29Å; L109-V122 HydrophobicContact CB-CG2 4.36Å; L109-V122 HydrophobicContact CD1-CG1 4.39Å; L109-E125 HydrophobicContact CD2-CB 4.24Å; L109-L126 HydrophobicContact CD1-CB 3.97Å; L109-L126 HydrophobicContact CD1-CD1 3.7Å; L109-L126 HydrophobicContact CD1-CG 4.49Å; L109-V129 HydrophobicContact CD1-CG2 4.31Å; L109-I135 HydrophobicContact CD1-CG2 3.99Å; L109-I135 HydrophobicContact CG-CG2 4.31Å; L109-L136 PolarHBondContact N-O 3.47Å; L109-V137 HydrophobicContact CB-CG2 4.36Å; L109-V137 CarbonylContact O-C 3.6Å; L109-V137 WeakPolarHBondContact O-CA 3.49Å; L109-L138 PolarHBondContact O-N 2.82Å
110M97.3Very high94.9Very high0 Ų029.2 Ų29.20%016%0.155CC..EExtended strand (participates in β ladder)trans-103.4137.3-172.7-164.8172.3-172.300111.5R13 G14 V18 G19 K20 L23 L138 N140 M178R13-M110 PolarHBondContact O-N 3.07Å; G14-M110 WeakPolarHBondContact CA-O 3.29Å; V18-M110 HydrophobicContact CG2-CB 4.05Å; V18-M110 HydrophobicContact CG2-CG 4.01Å; V18-M110 HydrophobicContact CG2-SD 4.41Å; G19-M110 VanDerWaalsContact C-SD 3.55Å; G19-M110 WeakPolarHBondContact O-CE 3.47Å; K20-M110 HydrophobicContact CG-CB 4.44Å; K20-M110 HydrophobicContact CG-SD 4.28Å; L23-M110 HydrophobicContact CB-CE 4.15Å; L23-M110 HydrophobicContact CB-SD 4.18Å; L23-M110 HydrophobicContact CD2-SD 4.03Å; M110-L138 WeakPolarHBondContact CA-O 3.33Å; M110-L138 HydrophobicContact CE-CD2 4.28Å; M110-L138 HydrophobicContact CG-CB 4.48Å; M110-L138 HydrophobicContact CG-CD2 4.46Å; M110-L138 HydrophobicContact SD-CD2 4.49Å; M110-N140 HydrophobicContact CE-CB 3.34Å; M110-N140 VanDerWaalsContact CE-ND2 3.27Å; M110-N140 WeakPolarHBondContact CE-ND2 3.28Å; M110-N140 HydrophobicContact CG-CB 4.32Å; M110-M178 HydrophobicContact CE-CG 3.94Å
111F98Very high95.4Very high0 Ų028.8 Ų28.80%015%0.153CC..EExtended strand (participates in β ladder)trans-136.7167173.474.6-80000110.8I113 T118 W119 V122 V137 L138 G139 N140 V150 Y173F111-I113 HydrophobicContact CE2-CG2 3.95Å; F111-I113 HydrophobicContact CZ-CG2 4.31Å; F111-T118 VanDerWaalsContact CB-O 3.28Å; F111-T118 WeakPolarHBondContact CB-O 3.28Å; F111-W119 AromaticContact CD1-CE3 3.83Å; F111-W119 HydrophobicContact CD1-CE3 3.83Å; F111-W119 HydrophobicContact CD1-CZ3 4.15Å; F111-W119 HydrophobicContact CD2-CB 4.12Å; F111-W119 HydrophobicContact CD2-CE3 4.16Å; F111-W119 AromaticContact CE1-CE3 3.75Å; F111-W119 HydrophobicContact CE1-CE3 3.75Å; F111-W119 AromaticContact CE1-CZ3 3.82Å; F111-W119 HydrophobicContact CE1-CZ3 3.82Å; F111-W119 HydrophobicContact CE2-CE3 4.08Å; F111-W119 HydrophobicContact CG-CE3 4.04Å; F111-W119 AromaticContact CZ-CE3 3.89Å; F111-W119 HydrophobicContact CZ-CE3 3.89Å; F111-W119 HydrophobicContact CZ-CZ3 4.19Å; F111-V122 HydrophobicContact CB-CG2 3.86Å; F111-V122 HydrophobicContact CD1-CG2 4.11Å; F111-V122 HydrophobicContact CG-CG2 4.31Å; F111-V137 HydrophobicContact CD1-CG1 4.28Å; F111-V137 HydrophobicContact CE1-CG1 4.05Å; F111-L138 PolarHBondContact N-O 2.98Å; F111-G139 VanDerWaalsContact CZ-CA 3.45Å; F111-N140 PolarHBondContact O-N 3.44Å; F111-V150 HydrophobicContact CE2-CB 4.11Å; F111-V150 HydrophobicContact CE2-CG1 3.91Å; F111-V150 HydrophobicContact CE2-CG2 4.49Å; F111-Y173 AromaticContact CE1-CE2 3.89Å; F111-Y173 HydrophobicContact CE1-CE2 3.89Å; F111-Y173 AromaticContact CZ-CE2 3.96Å; F111-Y173 HydrophobicContact CZ-CE2 3.96Å
112D97.8Very high95.6Very high2 Ų227.4 Ų27.41%0.01115%0.147CC..EExtended strand (participates in β ladder)trans-103.9120.7177.7-177.3-24.1000108.6V18 T114 K115 T118 R141V18-D112 HydrophobicContact CB-CB 4.46Å; V18-D112 HydrophobicContact CG1-CB 4.28Å; D112-T114 VanDerWaalsContact CG-OG1 3.31Å; D112-T114 PolarHBondContact O-N 3Å; D112-T114 WeakPolarHBondContact OD1-CB 3.49Å; D112-T114 PolarHBondContact OD1-N 2.83Å; D112-T114 PolarHBondContact OD1-OG1 3.38Å; D112-K115 HydrophobicContact CB-CB 4.17Å; D112-K115 HydrophobicContact CB-CD 4.09Å; D112-K115 HydrophobicContact CB-CG 4.28Å; D112-K115 PolarHBondContact O-N 2.83Å; D112-K115 WeakPolarHBondContact OD2-CD 3.28Å; D112-K115 WeakPolarHBondContact OD2-CE 3.43Å; D112-K115 IonicContact OD2-NZ 3.2Å; D112-K115 PolarHBondContact OD2-NZ 2.98Å; D112-T118 HydrophobicContact CB-CG2 4.48Å; D112-T118 PolarHBondContact N-OG1 2.84Å; D112-T118 PolarHBondContact O-OG1 2.79Å; D112-R141 HydrophobicContact CB-CG 4.46Å; D112-R141 WeakPolarHBondContact OD1-CG 3.45Å
113I98.3Very high95.9Very high0 Ų024.1 Ų24.10%013%0.131CC..THydrogen-bonded Turntrans-62.9-16.1-176.566.6171000113.6F111 N140 R141 R148 E149 V150F111-I113 HydrophobicContact CE2-CG2 3.95Å; F111-I113 HydrophobicContact CZ-CG2 4.31Å; I113-N140 WeakPolarHBondContact CG1-O 3.45Å; I113-N140 WeakPolarHBondContact CG2-O 3.45Å; I113-N140 PolarHBondContact N-O 3.35Å; I113-N140 VanDerWaalsContact N-O 3.09Å; I113-R141 WeakPolarHBondContact CD1-O 3.48Å; I113-R141 HydrophobicContact CG1-CB 4.44Å; I113-R148 HydrophobicContact CD1-CB 4.5Å; I113-E149 PolarHBondContact O-N 3.16Å; I113-V150 PolarHBondContact O-N 3.06Å
114T97.8Very high96.2Very high21 Ų2127 Ų2713%0.12912%0.124CC..THydrogen-bonded Turntrans-91.2-3.717869.90000112.7D112 M144 A147D112-T114 VanDerWaalsContact CG-OG1 3.31Å; D112-T114 PolarHBondContact O-N 3Å; D112-T114 WeakPolarHBondContact OD1-CB 3.49Å; D112-T114 PolarHBondContact OD1-N 2.83Å; D112-T114 PolarHBondContact OD1-OG1 3.38Å; T114-M144 HydrophobicContact CG2-CB 3.83Å; T114-A147 WeakPolarHBondContact CB-O 3.4Å; T114-A147 HydrophobicContact CG2-CB 4.18Å; T114-A147 WeakPolarHBondContact CG2-O 3.48Å
115K97.1Very high96.2Very high39 Ų3928.1 Ų28.117%0.1713%0.127CC..  trans-130.897.1-173.3-63.7176.3-175.7134.80112N17 D112 W117 T118N17-K115 PolarHBondContact O-NZ 3.06Å; D112-K115 HydrophobicContact CB-CB 4.17Å; D112-K115 HydrophobicContact CB-CD 4.09Å; D112-K115 HydrophobicContact CB-CG 4.28Å; D112-K115 PolarHBondContact O-N 2.83Å; D112-K115 WeakPolarHBondContact OD2-CD 3.28Å; D112-K115 WeakPolarHBondContact OD2-CE 3.43Å; D112-K115 IonicContact OD2-NZ 3.2Å; D112-K115 PolarHBondContact OD2-NZ 2.98Å; K115-W117 VanDerWaalsContact C-N 3.3Å; K115-W117 HydrophobicContact CB-CD2 4.2Å; K115-W117 HydrophobicContact CB-CH2 4.09Å; K115-W117 HydrophobicContact CB-CZ2 3.7Å; K115-W117 HydrophobicContact CB-CZ3 4.49Å; K115-W117 HydrophobicContact CD-CH2 4.47Å; K115-W117 HydrophobicContact CD-CZ2 3.67Å; K115-W117 HydrophobicContact CG-CH2 3.92Å; K115-W117 HydrophobicContact CG-CZ2 3.56Å; K115-W117 PolarHBondContact O-N 3.13Å; K115-T118 HydrophobicContact CB-CG2 3.67Å; K115-T118 HydrophobicContact CD-CG2 4.17Å; K115-T118 WeakPolarHBondContact O-CB 3.34Å; K115-T118 PolarHBondContact O-N 3.5Å; K115-T118 PolarHBondContact O-OG1 2.97Å
116P97.3Very high96.3Very high42 Ų4226 Ų2627%0.27312%0.116SC..Hα-helixtrans-55.9-36.6-175.6-29.237000115.1T118 W119 D120 E149 V150P116-T118 PolarHBondContact O-N 3.02Å; P116-W119 WeakPolarHBondContact O-CA 3.45Å; P116-W119 VanDerWaalsContact O-CB 3.32Å; P116-W119 WeakPolarHBondContact O-CB 3.18Å; P116-W119 PolarHBondContact O-N 3.2Å; P116-D120 PolarHBondContact O-N 2.83Å; P116-E149 WeakPolarHBondContact CD-OE2 3.16Å; P116-E149 HydrophobicContact CG-CB 3.62Å; P116-E149 VanDerWaalsContact CG-OE2 3.23Å; P116-E149 WeakPolarHBondContact CG-OE2 3.46Å; P116-V150 HydrophobicContact CB-CG2 4.48Å; P116-V150 HydrophobicContact CG-CG2 4.48Å
117W95.9Very high96.3Very high128 Ų12830 Ų3049%0.48514%0.142SC..Hα-helixtrans-63.6-25.2178.658.386.3000113.3K115 W119 D120 Y121K115-W117 VanDerWaalsContact C-N 3.3Å; K115-W117 HydrophobicContact CB-CD2 4.2Å; K115-W117 HydrophobicContact CB-CH2 4.09Å; K115-W117 HydrophobicContact CB-CZ2 3.7Å; K115-W117 HydrophobicContact CB-CZ3 4.49Å; K115-W117 HydrophobicContact CD-CH2 4.47Å; K115-W117 HydrophobicContact CD-CZ2 3.67Å; K115-W117 HydrophobicContact CG-CH2 3.92Å; K115-W117 HydrophobicContact CG-CZ2 3.56Å; K115-W117 PolarHBondContact O-N 3.13Å; W117-W119 VanDerWaalsContact C-N 3.31Å; W117-D120 PolarHBondContact O-N 3.05Å; W117-Y121 PolarHBondContact O-N 3.38Å
118T96.8Very high96.1Very high0 Ų032.9 Ų32.90%016%0.162CC..Hα-helixtrans-75.9-23.6174.973.20000111.8D15 V18 F111 D112 K115 P116 Y121 V122D15-T118 HydrophobicContact CB-CG2 3.92Å; V18-T118 HydrophobicContact CG1-CG2 3.74Å; F111-T118 VanDerWaalsContact CB-O 3.28Å; F111-T118 WeakPolarHBondContact CB-O 3.28Å; D112-T118 HydrophobicContact CB-CG2 4.48Å; D112-T118 PolarHBondContact N-OG1 2.84Å; D112-T118 PolarHBondContact O-OG1 2.79Å; K115-T118 HydrophobicContact CB-CG2 3.67Å; K115-T118 HydrophobicContact CD-CG2 4.17Å; K115-T118 WeakPolarHBondContact O-CB 3.34Å; K115-T118 PolarHBondContact O-N 3.5Å; K115-T118 PolarHBondContact O-OG1 2.97Å; P116-T118 PolarHBondContact O-N 3.02Å; T118-Y121 WeakPolarHBondContact O-CB 3.34Å; T118-V122 PolarHBondContact O-N 2.96Å
119W97.7Very high95.9Very high13 Ų1333.1 Ų33.15%0.04916%0.164CC..Hα-helixtrans-76.6-38.3168175-117.3000111.6F111 P116 W117 Y121 V122 K123 V137 V150 C155 F158F111-W119 AromaticContact CD1-CE3 3.83Å; F111-W119 HydrophobicContact CD1-CE3 3.83Å; F111-W119 HydrophobicContact CD1-CZ3 4.15Å; F111-W119 HydrophobicContact CD2-CB 4.12Å; F111-W119 HydrophobicContact CD2-CE3 4.16Å; F111-W119 AromaticContact CE1-CE3 3.75Å; F111-W119 HydrophobicContact CE1-CE3 3.75Å; F111-W119 AromaticContact CE1-CZ3 3.82Å; F111-W119 HydrophobicContact CE1-CZ3 3.82Å; F111-W119 HydrophobicContact CE2-CE3 4.08Å; F111-W119 HydrophobicContact CG-CE3 4.04Å; F111-W119 AromaticContact CZ-CE3 3.89Å; F111-W119 HydrophobicContact CZ-CE3 3.89Å; F111-W119 HydrophobicContact CZ-CZ3 4.19Å; P116-W119 WeakPolarHBondContact O-CA 3.45Å; P116-W119 VanDerWaalsContact O-CB 3.32Å; P116-W119 WeakPolarHBondContact O-CB 3.18Å; P116-W119 PolarHBondContact O-N 3.2Å; W117-W119 VanDerWaalsContact C-N 3.31Å; W119-Y121 PolarHBondContact O-N 2.91Å; W119-V122 HydrophobicContact CE3-CB 3.97Å; W119-V122 HydrophobicContact CE3-CG1 4.21Å; W119-V122 HydrophobicContact CE3-CG2 4.33Å; W119-V122 HydrophobicContact CH2-CG1 4.43Å; W119-V122 HydrophobicContact CZ3-CB 4.09Å; W119-V122 HydrophobicContact CZ3-CG1 3.8Å; W119-V122 WeakPolarHBondContact O-CB 3.34Å; W119-V122 PolarHBondContact O-N 2.99Å; W119-K123 HydrophobicContact CD2-CG 4.49Å; W119-K123 HydrophobicContact CZ2-CG 4.14Å; W119-K123 PolarHBondContact O-N 3.27Å; W119-V137 HydrophobicContact CH2-CG1 4.42Å; W119-V137 HydrophobicContact CZ3-CG1 3.75Å; W119-V150 HydrophobicContact CB-CG1 4.05Å; W119-V150 HydrophobicContact CB-CG2 4.01Å; W119-V150 HydrophobicContact CD2-CG1 4.27Å; W119-V150 HydrophobicContact CG-CG1 3.87Å; W119-C155 HydrophobicContact CH2-CB 4.01Å; W119-C155 HydrophobicContact CZ2-CB 4.33Å; W119-C155 HydrophobicContact CZ3-CB 4.35Å; W119-F158 AromaticContact CH2-CD1 3.95Å; W119-F158 HydrophobicContact CH2-CD1 3.95Å; W119-F158 HydrophobicContact CH2-CG 4.49Å; W119-F158 HydrophobicContact CZ2-CB 3.93Å; W119-F158 AromaticContact CZ2-CD1 3.74Å; W119-F158 HydrophobicContact CZ2-CD1 3.74Å; W119-F158 AromaticContact CZ2-CG 3.89Å; W119-F158 HydrophobicContact CZ2-CG 3.89Å
120D96.5Very high95.8Very high74 Ų7435.5 Ų35.540%0.39618%0.179SC..Hα-helixtrans-59.4-33.8171.9-66.8-36.8000112.3P116 W117 K123 R124P116-D120 PolarHBondContact O-N 2.83Å; W117-D120 PolarHBondContact O-N 3.05Å; D120-K123 WeakPolarHBondContact OD1-CE 3.39Å; D120-K123 IonicContact OD1-NZ 2.74Å; D120-K123 PolarHBondContact OD1-NZ 2.84Å; D120-R124 PolarHBondContact O-N 3.38Å
121Y95.6Very high95.5Very high3 Ų337.2 Ų37.21%0.01219%0.194CC..Hα-helixtrans-55.1-53.7168.4180-80.4000111.5R13 D15 D67 W117 T118 W119 K123 R124 E125R13-Y121 PolarHBondContact NH2-OH 3.15Å; D15-Y121 HydrophobicContact CB-CD2 4.29Å; D15-Y121 HydrophobicContact CB-CG 4.36Å; D67-Y121 HydrophobicContact CB-CE2 4.02Å; D67-Y121 WeakPolarHBondContact CB-OH 3.41Å; D67-Y121 PolarHBondContact OD2-OH 3.04Å; W117-Y121 PolarHBondContact O-N 3.38Å; T118-Y121 WeakPolarHBondContact O-CB 3.34Å; W119-Y121 PolarHBondContact O-N 2.91Å; Y121-K123 PolarHBondContact O-N 3.3Å; Y121-R124 PolarHBondContact O-N 2.68Å; Y121-R124 VanDerWaalsContact O-N 3.17Å; Y121-E125 HydrophobicContact CD1-CG 4.06Å; Y121-E125 HydrophobicContact CE1-CB 4.26Å; Y121-E125 HydrophobicContact CE1-CG 3.55Å; Y121-E125 HydrophobicContact CE2-CG 4.03Å; Y121-E125 HydrophobicContact CG-CG 4.47Å; Y121-E125 VanDerWaalsContact CZ-CG 3.49Å; Y121-E125 WeakPolarHBondContact O-CG 3.01Å; Y121-E125 PolarHBondContact O-N 3.29Å
122V96.4Very high95.2Very high0 Ų042.6 Ų42.60%023%0.226CC..Hα-helixtrans-59.1-46.7-179.3175.60000111.3L109 F111 T118 W119 R124 E125 L126 V137L109-V122 HydrophobicContact CB-CG1 4.29Å; L109-V122 HydrophobicContact CB-CG2 4.36Å; L109-V122 HydrophobicContact CD1-CG1 4.39Å; F111-V122 HydrophobicContact CB-CG2 3.86Å; F111-V122 HydrophobicContact CD1-CG2 4.11Å; F111-V122 HydrophobicContact CG-CG2 4.31Å; T118-V122 PolarHBondContact O-N 2.96Å; W119-V122 HydrophobicContact CE3-CB 3.97Å; W119-V122 HydrophobicContact CE3-CG1 4.21Å; W119-V122 HydrophobicContact CE3-CG2 4.33Å; W119-V122 HydrophobicContact CH2-CG1 4.43Å; W119-V122 HydrophobicContact CZ3-CB 4.09Å; W119-V122 HydrophobicContact CZ3-CG1 3.8Å; W119-V122 WeakPolarHBondContact O-CB 3.34Å; W119-V122 PolarHBondContact O-N 2.99Å; V122-R124 PolarHBondContact O-N 3.46Å; V122-E125 PolarHBondContact O-N 2.93Å; V122-L126 WeakPolarHBondContact O-CB 3.32Å; V122-L126 PolarHBondContact O-N 3.39Å; V122-V137 HydrophobicContact CG1-CG1 3.81Å; V122-V137 HydrophobicContact CG1-CG2 4.13Å
123K96.2Very high94.9Very high75 Ų7543 Ų4333%0.32623%0.229SC..Hα-helixtrans-58.4-35.1179.3-68.6-174.3-67.7179.60112.8W119 D120 Y121 P127 F158W119-K123 HydrophobicContact CD2-CG 4.49Å; W119-K123 HydrophobicContact CZ2-CG 4.14Å; W119-K123 PolarHBondContact O-N 3.27Å; D120-K123 WeakPolarHBondContact OD1-CE 3.39Å; D120-K123 IonicContact OD1-NZ 2.74Å; D120-K123 PolarHBondContact OD1-NZ 2.84Å; Y121-K123 PolarHBondContact O-N 3.3Å; K123-P127 VanDerWaalsContact O-CD 3.29Å; K123-P127 WeakPolarHBondContact O-CD 3.45Å; K123-F158 HydrophobicContact CB-CE1 4.44Å; K123-F158 HydrophobicContact CB-CE2 4.46Å; K123-F158 HydrophobicContact CB-CZ 3.95Å; K123-F158 HydrophobicContact CD-CD2 4.32Å; K123-F158 HydrophobicContact CD-CE2 3.99Å; K123-F158 HydrophobicContact CD-CZ 4.25Å; K123-F158 HydrophobicContact CG-CD1 4.42Å; K123-F158 HydrophobicContact CG-CD2 4.41Å; K123-F158 HydrophobicContact CG-CE1 3.91Å; K123-F158 HydrophobicContact CG-CE2 3.9Å; K123-F158 HydrophobicContact CG-CZ 3.64Å
124R94.2Very high94.7Very high117 Ų11743.1 Ų43.144%0.44223%0.229SC..Hα-helixtrans-76.6-40.5179.1-176.9-176.862.3-104.2-3.4112.5D120 Y121 V122D120-R124 PolarHBondContact O-N 3.38Å; Y121-R124 PolarHBondContact O-N 2.68Å; Y121-R124 VanDerWaalsContact O-N 3.17Å; V122-R124 PolarHBondContact O-N 3.46Å
125E93.1Very high94.5Very high32 Ų3242.1 Ų42.115%0.1522%0.223CC..Hα-helixtrans-86.2-29.1-174.6-59.7-56.9128.500113.3R13 L109 Y121 V122 S128R13-E125 IonicContact CZ-OE2 3.41Å; R13-E125 IonicContact NH1-OE2 3.07Å; R13-E125 PolarHBondContact NH1-OE2 2.79Å; R13-E125 VanDerWaalsContact NH1-OE2 3.07Å; R13-E125 IonicContact NH2-OE2 2.85Å; R13-E125 PolarHBondContact NH2-OE2 3.15Å; L109-E125 HydrophobicContact CD2-CB 4.24Å; Y121-E125 HydrophobicContact CD1-CG 4.06Å; Y121-E125 HydrophobicContact CE1-CB 4.26Å; Y121-E125 HydrophobicContact CE1-CG 3.55Å; Y121-E125 HydrophobicContact CE2-CG 4.03Å; Y121-E125 HydrophobicContact CG-CG 4.47Å; Y121-E125 VanDerWaalsContact CZ-CG 3.49Å; Y121-E125 WeakPolarHBondContact O-CG 3.01Å; Y121-E125 PolarHBondContact O-N 3.29Å; V122-E125 PolarHBondContact O-N 2.93Å; E125-S128 WeakPolarHBondContact O-CB 3.49Å; E125-S128 PolarHBondContact O-N 3.16Å; E125-S128 PolarHBondContact O-OG 2.98Å
126L94.3Very high94.5Very high0 Ų040.6 Ų40.60%022%0.217CC..G310 helixtrans-52.6-44.8-178.1-178.574.4000113.1L109 V122 S128 V129 I135 V137 F158 I159 F162 V171L109-L126 HydrophobicContact CD1-CB 3.97Å; L109-L126 HydrophobicContact CD1-CD1 3.7Å; L109-L126 HydrophobicContact CD1-CG 4.49Å; V122-L126 WeakPolarHBondContact O-CB 3.32Å; V122-L126 PolarHBondContact O-N 3.39Å; L126-S128 PolarHBondContact O-N 3.5Å; L126-V129 PolarHBondContact O-N 3.29Å; L126-I135 HydrophobicContact CD1-CB 4.5Å; L126-I135 HydrophobicContact CD1-CD1 3.72Å; L126-I135 HydrophobicContact CD1-CG2 3.85Å; L126-V137 HydrophobicContact CD1-CG2 4.11Å; L126-F158 HydrophobicContact CD2-CE1 3.82Å; L126-I159 HydrophobicContact CD2-CD1 3.87Å; L126-F162 HydrophobicContact CD1-CE1 4.36Å; L126-F162 HydrophobicContact CD2-CB 4.41Å; L126-F162 HydrophobicContact CD2-CD1 3.74Å; L126-F162 HydrophobicContact CD2-CD2 3.78Å; L126-F162 HydrophobicContact CD2-CE1 3.85Å; L126-F162 HydrophobicContact CD2-CE2 3.91Å; L126-F162 HydrophobicContact CD2-CG 3.7Å; L126-F162 HydrophobicContact CD2-CZ 3.94Å; L126-F162 HydrophobicContact CG-CD1 4.17Å; L126-F162 HydrophobicContact CG-CD2 4.45Å; L126-F162 HydrophobicContact CG-CE1 3.76Å; L126-F162 HydrophobicContact CG-CE2 4.09Å; L126-F162 HydrophobicContact CG-CG 4.49Å; L126-F162 HydrophobicContact CG-CZ 3.73Å; L126-V171 HydrophobicContact CD1-CG1 4.1Å
127P93.2Very high94.5Very high83 Ų8338.6 Ų38.654%0.53920%0.204SC..G310 helixtrans-64.3-21.2175.7-20.432.8000115K123 V129 F162K123-P127 VanDerWaalsContact O-CD 3.29Å; K123-P127 WeakPolarHBondContact O-CD 3.45Å; P127-V129 VanDerWaalsContact C-N 3.34Å; P127-F162 HydrophobicContact CB-CE2 4.48Å; P127-F162 HydrophobicContact CG-CE2 4.09Å
128S91.3Very high94.6Very high60 Ų6032.5 Ų32.542%0.4218%0.181SC..G310 helixtrans-80.5-14.2-179.276.20000113.6Y101 E125 L126Y101-S128 PolarHBondContact OH-OG 3.41Å; E125-S128 WeakPolarHBondContact O-CB 3.49Å; E125-S128 PolarHBondContact O-N 3.16Å; E125-S128 PolarHBondContact O-OG 2.98Å; L126-S128 PolarHBondContact O-N 3.5Å
129V93.3Very high94.6Very high7 Ų732.5 Ų32.54%0.04218%0.181CC..SBendtrans-76.9126.4-176.8-177.90000110Y101 V107 L109 L126 P127 A131 L133 I135 R164Y101-V129 HydrophobicContact CE1-CB 4.47Å; Y101-V129 HydrophobicContact CE1-CG1 4.23Å; Y101-V129 HydrophobicContact CE1-CG2 4.09Å; Y101-V129 WeakPolarHBondContact OH-CG2 3.37Å; V107-V129 HydrophobicContact CB-CG1 4.25Å; V107-V129 HydrophobicContact CG1-CG2 4.38Å; V107-V129 HydrophobicContact CG2-CG1 3.81Å; L109-V129 HydrophobicContact CD1-CG2 4.31Å; L126-V129 PolarHBondContact O-N 3.29Å; P127-V129 VanDerWaalsContact C-N 3.34Å; V129-A131 PolarHBondContact O-N 3.42Å; V129-L133 HydrophobicContact CG1-CB 4.07Å; V129-L133 HydrophobicContact CG1-CD1 4.29Å; V129-I135 HydrophobicContact CB-CD1 3.53Å; V129-I135 HydrophobicContact CB-CG1 4.35Å; V129-I135 HydrophobicContact CG1-CD1 3.52Å; V129-I135 HydrophobicContact CG1-CG1 3.8Å; V129-I135 HydrophobicContact CG2-CD1 3.96Å; V129-R164 PolarHBondContact O-NH2 3.17Å
130P92.9Very high94.6Very high49 Ų4932 Ų3232%0.31818%0.179SC..  trans-50.8136.3179.3-28.934000113.6Y101 T132 L133 R164Y101-P130 HydrophobicContact CD2-CG 4.23Å; Y101-P130 HydrophobicContact CG-CG 4.11Å; P130-T132 PolarHBondContact O-N 3.46Å; P130-L133 HydrophobicContact CB-CD1 4.41Å; P130-L133 HydrophobicContact CB-CG 4.31Å; P130-L133 HydrophobicContact CG-CD1 4.27Å; P130-L133 PolarHBondContact O-N 3.2Å; P130-R164 PolarHBondContact O-NH2 2.9Å
131A92.5Very high94.6Very high37 Ų3730.2 Ų30.231%0.30617%0.167SC..THydrogen-bonded Turntrans-52.7-28.4-177.200000114.2V129 L133 S168 A169V129-A131 PolarHBondContact O-N 3.42Å; A131-L133 VanDerWaalsContact C-N 3.33Å; A131-S168 WeakPolarHBondContact O-CA 3.5Å; A131-S168 WeakPolarHBondContact O-CB 3.43Å; A131-A169 PolarHBondContact O-N 3.38Å
132T90.4Very high94.7Very high112 Ų11233.6 Ų33.669%0.68718%0.179SC*.THydrogen-bonded Turntrans-75.1-18.2-179.953.80000113.7P130 A169P130-T132 PolarHBondContact O-N 3.46Å; T132-A169 WeakPolarHBondContact O-CB 3.42Å
133L92.3Very high94.7Very high12 Ų1236 Ų366%0.06319%0.192CC..SBendtrans-91.7127.4-177.1-59.1-177.2000111.8Y101 A104 V107 V129 P130 A131 R164Y101-L133 HydrophobicContact CD1-CD1 3.95Å; Y101-L133 HydrophobicContact CG-CD1 4.42Å; A104-L133 HydrophobicContact CB-CD1 3.98Å; A104-L133 HydrophobicContact CB-CD2 4.44Å; A104-L133 WeakPolarHBondContact O-CD2 3.38Å; V107-L133 HydrophobicContact CG2-CB 4.4Å; V107-L133 HydrophobicContact CG2-CD1 3.81Å; V129-L133 HydrophobicContact CG1-CB 4.07Å; V129-L133 HydrophobicContact CG1-CD1 4.29Å; P130-L133 HydrophobicContact CB-CD1 4.41Å; P130-L133 HydrophobicContact CB-CG 4.31Å; P130-L133 HydrophobicContact CG-CD1 4.27Å; P130-L133 PolarHBondContact O-N 3.2Å; A131-L133 VanDerWaalsContact C-N 3.33Å; L133-R164 PolarHBondContact O-NH1 3.09Å
134P93.7Very high94.7Very high2 Ų235.6 Ų35.61%0.01319%0.192CC..  trans-66.7139.8167.628.4-33.8000109.8N105 A106 V107 A169 P170 F190 V193 P194 L197N105-P134 WeakPolarHBondContact O-CD 3.23Å; N105-P134 WeakPolarHBondContact O-CG 3.43Å; A106-P134 HydrophobicContact CB-CG 4.11Å; V107-P134 PolarHBondContact N-O 2.76Å; P134-A169 HydrophobicContact CB-CB 4.2Å; P134-A169 VanDerWaalsContact N-CB 3.33Å; P134-P170 WeakPolarHBondContact CA-O 3.32Å; P134-P170 HydrophobicContact CB-CG 4.38Å; P134-F190 HydrophobicContact CB-CE2 4.27Å; P134-F190 HydrophobicContact CB-CZ 4.34Å; P134-V193 HydrophobicContact CB-CG1 4.1Å; P134-V193 HydrophobicContact CG-CG1 4.46Å; P134-P194 HydrophobicContact CG-CG 4.02Å; P134-L197 HydrophobicContact CB-CD1 4.4Å; P134-L197 HydrophobicContact CG-CD1 3.97Å
135I94.9Very high94.7Very high0 Ų033 Ų330%019%0.187CC..EExtended strand (participates in β ladder)trans-120.8132.1-175.8-49.5177.2000109.7V107 L109 L126 V129 V137 P170 V171 R172V107-I135 CarbonylContact O-C 3.57Å; V107-I135 VanDerWaalsContact O-CA 3.31Å; V107-I135 WeakPolarHBondContact O-CA 3.4Å; L109-I135 HydrophobicContact CD1-CG2 3.99Å; L109-I135 HydrophobicContact CG-CG2 4.31Å; L126-I135 HydrophobicContact CD1-CB 4.5Å; L126-I135 HydrophobicContact CD1-CD1 3.72Å; L126-I135 HydrophobicContact CD1-CG2 3.85Å; V129-I135 HydrophobicContact CB-CD1 3.53Å; V129-I135 HydrophobicContact CB-CG1 4.35Å; V129-I135 HydrophobicContact CG1-CD1 3.52Å; V129-I135 HydrophobicContact CG1-CG1 3.8Å; V129-I135 HydrophobicContact CG2-CD1 3.96Å; I135-V137 HydrophobicContact CG2-CG2 4.26Å; I135-P170 PolarHBondContact N-O 3.06Å; I135-V171 HydrophobicContact CB-CG1 4.21Å; I135-V171 HydrophobicContact CB-CG2 4.25Å; I135-V171 HydrophobicContact CD1-CG2 4.16Å; I135-V171 HydrophobicContact CG1-CG2 4.44Å; I135-V171 HydrophobicContact CG2-CG1 4.48Å; I135-V171 CarbonylContact O-C 3.57Å; I135-V171 WeakPolarHBondContact O-CA 3.36Å; I135-R172 PolarHBondContact O-N 2.88Å
136L96Very high94.9Very high6 Ų637.6 Ų37.63%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-109.8114.5164.8179.163.8000109.7V107 I108 L109 L138 R172 A174 L187 F190V107-L136 PolarHBondContact O-N 2.83Å; I108-L136 CarbonylContact C-O 3.43Å; I108-L136 VanDerWaalsContact CA-O 3.28Å; I108-L136 WeakPolarHBondContact CA-O 3.04Å; I108-L136 HydrophobicContact CG1-CB 4.34Å; L109-L136 PolarHBondContact N-O 3.47Å; L136-L138 HydrophobicContact CD2-CD1 4.34Å; L136-R172 HydrophobicContact CD1-CB 4.09Å; L136-A174 HydrophobicContact CD1-CB 4.06Å; L136-L187 HydrophobicContact CD2-CD2 3.3Å; L136-L187 HydrophobicContact CD2-CG 4.03Å; L136-F190 HydrophobicContact CB-CD1 3.86Å; L136-F190 HydrophobicContact CB-CD2 3.83Å; L136-F190 HydrophobicContact CB-CE1 3.68Å; L136-F190 HydrophobicContact CB-CE2 3.64Å; L136-F190 HydrophobicContact CB-CG 3.93Å; L136-F190 HydrophobicContact CB-CZ 3.56Å; L136-F190 HydrophobicContact CD2-CB 4.13Å; L136-F190 HydrophobicContact CD2-CD1 3.95Å; L136-F190 HydrophobicContact CD2-CG 3.93Å; L136-F190 HydrophobicContact CG-CG 4.41Å
137V97.3Very high95.1Very high0 Ų040.1 Ų40.10%024%0.244CC..EExtended strand (participates in β ladder)trans-86.3118.9167.8178.80000108.5L109 F111 W119 V122 L126 I135 I159 V171 R172 Y173 A174L109-V137 HydrophobicContact CB-CG2 4.36Å; L109-V137 CarbonylContact O-C 3.6Å; L109-V137 WeakPolarHBondContact O-CA 3.49Å; F111-V137 HydrophobicContact CD1-CG1 4.28Å; F111-V137 HydrophobicContact CE1-CG1 4.05Å; W119-V137 HydrophobicContact CH2-CG1 4.42Å; W119-V137 HydrophobicContact CZ3-CG1 3.75Å; V122-V137 HydrophobicContact CG1-CG1 3.81Å; V122-V137 HydrophobicContact CG1-CG2 4.13Å; L126-V137 HydrophobicContact CD1-CG2 4.11Å; I135-V137 HydrophobicContact CG2-CG2 4.26Å; V137-I159 HydrophobicContact CB-CD1 4.18Å; V137-I159 HydrophobicContact CG1-CD1 4.42Å; V137-I159 HydrophobicContact CG2-CD1 3.69Å; V137-V171 HydrophobicContact CG2-CG1 4.28Å; V137-R172 PolarHBondContact N-O 3.38Å; V137-Y173 HydrophobicContact CB-CD2 4.3Å; V137-Y173 HydrophobicContact CG1-CD2 4Å; V137-Y173 HydrophobicContact CG1-CE2 4.49Å; V137-Y173 WeakPolarHBondContact O-CA 3.4Å; V137-A174 PolarHBondContact O-N 3.31Å
138L97.3Very high95.3Very high0 Ų038.8 Ų38.80%023%0.228CC..EExtended strand (participates in β ladder)trans-120.3107.1-169.8-167.870.6000111.4L23 I108 L109 M110 F111 L136 N140 A174 S176 L187L23-L138 HydrophobicContact CD2-CD2 3.81Å; I108-L138 HydrophobicContact CG2-CB 4.11Å; I108-L138 HydrophobicContact CG2-CD2 4.35Å; L109-L138 PolarHBondContact O-N 2.82Å; M110-L138 WeakPolarHBondContact CA-O 3.33Å; M110-L138 HydrophobicContact CE-CD2 4.28Å; M110-L138 HydrophobicContact CG-CB 4.48Å; M110-L138 HydrophobicContact CG-CD2 4.46Å; M110-L138 HydrophobicContact SD-CD2 4.49Å; F111-L138 PolarHBondContact N-O 2.98Å; L136-L138 HydrophobicContact CD2-CD1 4.34Å; L138-N140 PolarHBondContact O-N 2.94Å; L138-A174 WeakPolarHBondContact CA-O 3.38Å; L138-A174 HydrophobicContact CD1-CB 4.01Å; L138-S176 WeakPolarHBondContact CD2-OG 3.47Å; L138-S176 WeakPolarHBondContact CG-OG 3.47Å; L138-L187 HydrophobicContact CD2-CD1 4.05Å; L138-L187 HydrophobicContact CD2-CD2 4.29Å
139G97.9Very high95.6Very high0 Ų041.9 Ų41.90%024%0.236CC..EExtended strand (participates in β ladder)trans-80108.7171.400000110.7F111 A174 E175 S176F111-G139 VanDerWaalsContact CZ-CA 3.45Å; G139-A174 PolarHBondContact N-O 3.09Å; G139-E175 CarbonylContact O-C 3.5Å; G139-E175 WeakPolarHBondContact O-CA 3.48Å; G139-S176 PolarHBondContact O-N 3.43Å
140N98Very high95.8Very high2 Ų241.9 Ų41.91%0.01124%0.236CC..EExtended strand (participates in β ladder)trans-95172.8-180-169.834000112.2V18 M110 F111 I113 L138 S176 S177 M178V18-N140 PolarHBondContact O-ND2 3.15Å; M110-N140 HydrophobicContact CE-CB 3.34Å; M110-N140 VanDerWaalsContact CE-ND2 3.27Å; M110-N140 WeakPolarHBondContact CE-ND2 3.28Å; M110-N140 HydrophobicContact CG-CB 4.32Å; F111-N140 PolarHBondContact O-N 3.44Å; I113-N140 WeakPolarHBondContact CG1-O 3.45Å; I113-N140 WeakPolarHBondContact CG2-O 3.45Å; I113-N140 PolarHBondContact N-O 3.35Å; I113-N140 VanDerWaalsContact N-O 3.09Å; L138-N140 PolarHBondContact O-N 2.94Å; N140-S176 CarbonylContact C-O 3.5Å; N140-S176 VanDerWaalsContact CA-O 3.3Å; N140-S176 WeakPolarHBondContact CA-O 3.39Å; N140-S176 PolarHBondContact OD1-O 3.08Å; N140-S176 PolarHBondContact OD1-OG 2.96Å; N140-S177 WeakPolarHBondContact OD1-CA 3.33Å; N140-M178 PolarHBondContact OD1-N 2.96Å; N140-M178 VanDerWaalsContact OD1-N 3.07Å
141R96.5Very high96Very high38 Ų3842.1 Ų42.114%0.14324%0.239CC..  trans69.332.6-176.7-51.4-68.8-170.1167.10.2113N17 D112 I113 D143 M144 S176N17-R141 PolarHBondContact OD1-NH2 3.44Å; D112-R141 HydrophobicContact CB-CG 4.46Å; D112-R141 WeakPolarHBondContact OD1-CG 3.45Å; I113-R141 WeakPolarHBondContact CD1-O 3.48Å; I113-R141 HydrophobicContact CG1-CB 4.44Å; R141-D143 WeakPolarHBondContact CA-OD1 3.33Å; R141-D143 PolarHBondContact O-N 3.35Å; R141-D143 VanDerWaalsContact O-N 3.09Å; R141-M144 HydrophobicContact CB-CB 4.47Å; R141-M144 HydrophobicContact CB-CG 4.48Å; R141-M144 HydrophobicContact CB-SD 4.32Å; R141-M144 WeakPolarHBondContact O-CA 3.45Å; R141-M144 WeakPolarHBondContact O-CB 3.31Å; R141-M144 PolarHBondContact O-N 3.25Å; R141-S176 PolarHBondContact N-O 3.33Å; R141-S176 VanDerWaalsContact N-O 3.15Å
142R96.6Very high96.2Very high73 Ų7343 Ų4328%0.27524%0.236SC..G310 helixtrans-59.5-20175.5-172.650.9161.5115.1-23.9114.1M144 D145 R148 E175 S176 L182R142-M144 PolarHBondContact O-N 2.82Å; R142-D145 VanDerWaalsContact CZ-CG 3.5Å; R142-D145 IonicContact CZ-OD1 3.62Å; R142-D145 VanDerWaalsContact CZ-OD1 3.22Å; R142-D145 IonicContact CZ-OD2 3.59Å; R142-D145 IonicContact NE-OD1 3.49Å; R142-D145 VanDerWaalsContact NH1-CB 3.25Å; R142-D145 IonicContact NH1-OD1 3.77Å; R142-D145 PolarHBondContact NH1-OD1 3.34Å; R142-D145 IonicContact NH1-OD2 2.74Å; R142-D145 PolarHBondContact NH1-OD2 3.1Å; R142-D145 IonicContact NH2-OD1 2.95Å; R142-D145 IonicContact NH2-OD2 2.73Å; R142-R148 VanDerWaalsContact CD-NH2 3.26Å; R142-R148 VanDerWaalsContact NE-NH2 3.12Å; R142-E175 WeakPolarHBondContact CD-OE2 3.43Å; R142-E175 HydrophobicContact CG-CB 4.5Å; R142-E175 IonicContact CZ-OE2 3.24Å; R142-E175 IonicContact NE-OE2 2.72Å; R142-E175 PolarHBondContact NE-OE2 3.2Å; R142-E175 IonicContact NH2-OE2 3.16Å; R142-S176 VanDerWaalsContact CB-O 3.26Å; R142-S176 WeakPolarHBondContact CB-O 3.44Å; R142-S176 PolarHBondContact N-O 3.33Å; R142-L182 HydrophobicContact CB-CD2 3.89Å; R142-L182 HydrophobicContact CG-CD2 3.53Å
143D96.5Very high96.5Very high50 Ų5042.3 Ų42.327%0.26723%0.229SC..G310 helixtrans-65.9-17.9169.756.4-68.6000113.8R141 S177 R179 T180R141-D143 WeakPolarHBondContact CA-OD1 3.33Å; R141-D143 PolarHBondContact O-N 3.35Å; R141-D143 VanDerWaalsContact O-N 3.09Å; D143-S177 VanDerWaalsContact CG-OG 3.23Å; D143-S177 VanDerWaalsContact OD1-CB 3.28Å; D143-S177 WeakPolarHBondContact OD1-CB 3.3Å; D143-S177 PolarHBondContact OD1-OG 2.63Å; D143-R179 VanDerWaalsContact OD2-CD 3.28Å; D143-R179 WeakPolarHBondContact OD2-CD 3.34Å; D143-T180 HydrophobicContact CB-CG2 4.03Å
144M96Very high96.7Very high68 Ų6845.5 Ų45.534%0.33525%0.249SC..G310 helixtrans-103.533.1178.6-59.1-178.2171.100112.4T114 R141 R142 S146 A147T114-M144 HydrophobicContact CG2-CB 3.83Å; R141-M144 HydrophobicContact CB-CB 4.47Å; R141-M144 HydrophobicContact CB-CG 4.48Å; R141-M144 HydrophobicContact CB-SD 4.32Å; R141-M144 WeakPolarHBondContact O-CA 3.45Å; R141-M144 WeakPolarHBondContact O-CB 3.31Å; R141-M144 PolarHBondContact O-N 3.25Å; R142-M144 PolarHBondContact O-N 2.82Å; M144-S146 PolarHBondContact O-N 3.13Å; M144-S146 VanDerWaalsContact O-N 3.14Å; M144-A147 PolarHBondContact O-N 3.35Å
145D95.2Very high96.9Very high61 Ų6145.4 Ų45.433%0.32625%0.248SC..G310 helixtrans-60.1-27.3-173.5-161.457.8000114.4R142 A147 R148R142-D145 VanDerWaalsContact CZ-CG 3.5Å; R142-D145 IonicContact CZ-OD1 3.62Å; R142-D145 VanDerWaalsContact CZ-OD1 3.22Å; R142-D145 IonicContact CZ-OD2 3.59Å; R142-D145 IonicContact NE-OD1 3.49Å; R142-D145 VanDerWaalsContact NH1-CB 3.25Å; R142-D145 IonicContact NH1-OD1 3.77Å; R142-D145 PolarHBondContact NH1-OD1 3.34Å; R142-D145 IonicContact NH1-OD2 2.74Å; R142-D145 PolarHBondContact NH1-OD2 3.1Å; R142-D145 IonicContact NH2-OD1 2.95Å; R142-D145 IonicContact NH2-OD2 2.73Å; D145-A147 PolarHBondContact O-N 2.96Å; D145-R148 WeakPolarHBondContact O-CB 3.27Å; D145-R148 PolarHBondContact O-N 3.41Å; D145-R148 VanDerWaalsContact O-N 3.09Å; D145-R148 IonicContact OD1-CZ 3.46Å; D145-R148 VanDerWaalsContact OD1-CZ 3.24Å; D145-R148 IonicContact OD1-NE 2.78Å; D145-R148 PolarHBondContact OD1-NE 3.18Å; D145-R148 IonicContact OD1-NH2 3.22Å; D145-R148 PolarHBondContact OD1-NH2 3.27Å
146S97.1Very high97Very high130 Ų13050.3 Ų50.391%0.90927%0.267SS*.G310 helixtrans-63.8-2417454.30000113.4M144M144-S146 PolarHBondContact O-N 3.13Å; M144-S146 VanDerWaalsContact O-N 3.14Å
147A97.3Very high97Very high53 Ų5358.2 Ų58.244%0.43830%0.296SS..G310 helixtrans-104.219175.300000112T114 M144 D145 E149T114-A147 WeakPolarHBondContact CB-O 3.4Å; T114-A147 HydrophobicContact CG2-CB 4.18Å; T114-A147 WeakPolarHBondContact CG2-O 3.48Å; M144-A147 PolarHBondContact O-N 3.35Å; D145-A147 PolarHBondContact O-N 2.96Å; A147-E149 PolarHBondContact O-N 2.96Å
148R98.1Very high97Very high54 Ų5461.3 Ų61.320%0.20431%0.309CS..  trans-63.2129.1179.2175.8-176.1-69.1-986.4110.7I113 R142 D145 V150 E175I113-R148 HydrophobicContact CD1-CB 4.5Å; R142-R148 VanDerWaalsContact CD-NH2 3.26Å; R142-R148 VanDerWaalsContact NE-NH2 3.12Å; D145-R148 WeakPolarHBondContact O-CB 3.27Å; D145-R148 PolarHBondContact O-N 3.41Å; D145-R148 VanDerWaalsContact O-N 3.09Å; D145-R148 IonicContact OD1-CZ 3.46Å; D145-R148 VanDerWaalsContact OD1-CZ 3.24Å; D145-R148 IonicContact OD1-NE 2.78Å; D145-R148 PolarHBondContact OD1-NE 3.18Å; D145-R148 IonicContact OD1-NH2 3.22Å; D145-R148 PolarHBondContact OD1-NH2 3.27Å; R148-V150 VanDerWaalsContact CD-O 3.27Å; R148-V150 WeakPolarHBondContact CD-O 3.29Å; R148-V150 VanDerWaalsContact CG-O 3.25Å; R148-V150 WeakPolarHBondContact CG-O 3.5Å; R148-V150 PolarHBondContact NH1-O 2.71Å; R148-E175 IonicContact CZ-OE1 2.75Å; R148-E175 IonicContact CZ-OE2 3.37Å; R148-E175 IonicContact NH1-OE1 2.73Å; R148-E175 PolarHBondContact NH1-OE1 3.43Å; R148-E175 IonicContact NH1-OE2 2.75Å; R148-E175 VanDerWaalsContact NH2-CD 3.34Å; R148-E175 IonicContact NH2-OE1 2.87Å; R148-E175 PolarHBondContact NH2-OE1 3.29Å; R148-E175 VanDerWaalsContact NH2-OE1 3.13Å; R148-E175 IonicContact NH2-OE2 3.13Å; R148-E175 PolarHBondContact NH2-OE2 3.06Å
149E98Very high96.9Very high125 Ų12561.9 Ų61.958%0.58431%0.312SS*.  trans-113-17.9171.9-62.6-169.7-149.800112.4I113 P116 A147I113-E149 PolarHBondContact O-N 3.16Å; P116-E149 WeakPolarHBondContact CD-OE2 3.16Å; P116-E149 HydrophobicContact CG-CB 3.62Å; P116-E149 VanDerWaalsContact CG-OE2 3.23Å; P116-E149 WeakPolarHBondContact CG-OE2 3.46Å; A147-E149 PolarHBondContact O-N 2.96Å
150V97.6Very high96.7Very high8 Ų868.2 Ų68.25%0.04835%0.346CS..SBendtrans-109.5109.2177.3-170.20000110.3F111 I113 P116 W119 R148 C155F111-V150 HydrophobicContact CE2-CB 4.11Å; F111-V150 HydrophobicContact CE2-CG1 3.91Å; F111-V150 HydrophobicContact CE2-CG2 4.49Å; I113-V150 PolarHBondContact O-N 3.06Å; P116-V150 HydrophobicContact CB-CG2 4.48Å; P116-V150 HydrophobicContact CG-CG2 4.48Å; W119-V150 HydrophobicContact CB-CG1 4.05Å; W119-V150 HydrophobicContact CB-CG2 4.01Å; W119-V150 HydrophobicContact CD2-CG1 4.27Å; W119-V150 HydrophobicContact CG-CG1 3.87Å; R148-V150 VanDerWaalsContact CD-O 3.27Å; R148-V150 WeakPolarHBondContact CD-O 3.29Å; R148-V150 VanDerWaalsContact CG-O 3.25Å; R148-V150 WeakPolarHBondContact CG-O 3.5Å; R148-V150 PolarHBondContact NH1-O 2.71Å; V150-C155 VanDerWaalsContact CG1-SG 3.5Å
151S97Very high96.6Very high53 Ų5374.1 Ų74.137%0.37138%0.378SS..  trans-66.6133.6-179.9178.90000112.4N153 V154 C155S151-N153 PolarHBondContact O-N 2.99Å; S151-N153 PolarHBondContact OG-N 3.01Å; S151-V154 WeakPolarHBondContact O-CB 3.46Å; S151-V154 PolarHBondContact O-N 2.79Å; S151-V154 VanDerWaalsContact O-N 3.1Å; S151-C155 PolarHBondContact O-N 3.21Å; S151-C155 PolarHBondContact O-SG 2.89Å
152E96.7Very high96.4Very high55 Ų5574.6 Ų74.626%0.25738%0.381SS..Hα-helixtrans-54.1-40.9173.8-173.8-180167.400112.1V154 C155 R156 Y173E152-V154 VanDerWaalsContact C-N 3.32Å; E152-V154 PolarHBondContact O-N 2.9Å; E152-C155 WeakPolarHBondContact O-CB 3.5Å; E152-C155 PolarHBondContact O-N 2.88Å; E152-R156 HydrophobicContact CG-CG 4.37Å; E152-R156 WeakPolarHBondContact O-CG 3.48Å; E152-R156 PolarHBondContact O-N 3.47Å; E152-R156 IonicContact OE1-CZ 3.83Å; E152-R156 IonicContact OE1-NE 2.98Å; E152-R156 PolarHBondContact OE1-NE 3.04Å; E152-R156 IonicContact OE1-NH2 2.68Å; E152-R156 PolarHBondContact OE1-NH2 3.42Å; E152-Y173 HydrophobicContact CG-CE1 3.89Å
153N97.1Very high96Very high99 Ų9979.8 Ų79.853%0.52941%0.409SS..Hα-helixtrans-64.7-36.8-179.8-74-23.3000112.3S151 R157S151-N153 PolarHBondContact O-N 2.99Å; S151-N153 PolarHBondContact OG-N 3.01Å; N153-R157 WeakPolarHBondContact O-CB 3.18Å; N153-R157 VanDerWaalsContact O-CG 3.24Å; N153-R157 WeakPolarHBondContact O-CG 3.23Å; N153-R157 PolarHBondContact O-N 3.26Å
154V95.8Very high95.6Very high79 Ų7979.7 Ų79.748%0.47940%0.404SS..Hα-helixtrans-65.1-44.8176171.70000109.9S151 E152 F158S151-V154 WeakPolarHBondContact O-CB 3.46Å; S151-V154 PolarHBondContact O-N 2.79Å; S151-V154 VanDerWaalsContact O-N 3.1Å; E152-V154 VanDerWaalsContact C-N 3.32Å; E152-V154 PolarHBondContact O-N 2.9Å; V154-F158 WeakPolarHBondContact O-CB 3.32Å; V154-F158 PolarHBondContact O-N 3.42Å
155C97.5Very high95.2Very high0 Ų080.9 Ų80.90%042%0.417CS..Hα-helixtrans-61.7-50.3176.6-60.60000111.9W119 V150 S151 E152 R157 F158 I159 Y173W119-C155 HydrophobicContact CH2-CB 4.01Å; W119-C155 HydrophobicContact CZ2-CB 4.33Å; W119-C155 HydrophobicContact CZ3-CB 4.35Å; V150-C155 VanDerWaalsContact CG1-SG 3.5Å; S151-C155 PolarHBondContact O-N 3.21Å; S151-C155 PolarHBondContact O-SG 2.89Å; E152-C155 WeakPolarHBondContact O-CB 3.5Å; E152-C155 PolarHBondContact O-N 2.88Å; C155-R157 PolarHBondContact O-N 2.81Å; C155-F158 PolarHBondContact O-N 2.99Å; C155-I159 WeakPolarHBondContact O-CG1 3.4Å; C155-I159 PolarHBondContact O-N 3.01Å; C155-Y173 HydrophobicContact CB-CD2 3.9Å; C155-Y173 HydrophobicContact CB-CE1 4.29Å; C155-Y173 HydrophobicContact CB-CE2 3.33Å
156R96.9Very high94.5Very high103 Ų10383.9 Ų83.939%0.38944%0.443SS..Hα-helixtrans-61.5-44-178.6-73.2-174.3-177.6-72.6-2.5112.4E152 I159 N160 Y173E152-R156 HydrophobicContact CG-CG 4.37Å; E152-R156 WeakPolarHBondContact O-CG 3.48Å; E152-R156 PolarHBondContact O-N 3.47Å; E152-R156 IonicContact OE1-CZ 3.83Å; E152-R156 IonicContact OE1-NE 2.98Å; E152-R156 PolarHBondContact OE1-NE 3.04Å; E152-R156 IonicContact OE1-NH2 2.68Å; E152-R156 PolarHBondContact OE1-NH2 3.42Å; R156-I159 PolarHBondContact O-N 3.42Å; R156-N160 WeakPolarHBondContact O-CB 3.41Å; R156-N160 PolarHBondContact O-N 2.86Å; R156-N160 PolarHBondContact O-ND2 3.25Å; R156-N160 PolarHBondContact O-OD1 3.19Å; R156-Y173 HydrophobicContact CG-CD1 3.73Å; R156-Y173 HydrophobicContact CG-CE1 4.1Å; R156-Y173 HydrophobicContact CG-CG 4.47Å
157R96.8Very high93.7Very high171 Ų17183.1 Ų83.165%0.64544%0.444SS*.Hα-helixtrans-59.7-50.3175.4-74.2175.8-176.3175.91111N153 C155 I159 N160 D161N153-R157 WeakPolarHBondContact O-CB 3.18Å; N153-R157 VanDerWaalsContact O-CG 3.24Å; N153-R157 WeakPolarHBondContact O-CG 3.23Å; N153-R157 PolarHBondContact O-N 3.26Å; C155-R157 PolarHBondContact O-N 2.81Å; R157-I159 VanDerWaalsContact C-N 3.29Å; R157-I159 PolarHBondContact O-N 2.92Å; R157-N160 PolarHBondContact O-N 3.45Å; R157-N160 VanDerWaalsContact O-N 3.16Å; R157-D161 WeakPolarHBondContact O-CB 3.48Å; R157-D161 PolarHBondContact O-N 3.3Å
158F97Very high93.3Very high65 Ų6582.1 Ų82.129%0.28543%0.434SS..Hα-helixtrans-56.1-42.7178.4-176.7-93.2000112.8W119 K123 L126 V154 C155 F162W119-F158 AromaticContact CH2-CD1 3.95Å; W119-F158 HydrophobicContact CH2-CD1 3.95Å; W119-F158 HydrophobicContact CH2-CG 4.49Å; W119-F158 HydrophobicContact CZ2-CB 3.93Å; W119-F158 AromaticContact CZ2-CD1 3.74Å; W119-F158 HydrophobicContact CZ2-CD1 3.74Å; W119-F158 AromaticContact CZ2-CG 3.89Å; W119-F158 HydrophobicContact CZ2-CG 3.89Å; K123-F158 HydrophobicContact CB-CE1 4.44Å; K123-F158 HydrophobicContact CB-CE2 4.46Å; K123-F158 HydrophobicContact CB-CZ 3.95Å; K123-F158 HydrophobicContact CD-CD2 4.32Å; K123-F158 HydrophobicContact CD-CE2 3.99Å; K123-F158 HydrophobicContact CD-CZ 4.25Å; K123-F158 HydrophobicContact CG-CD1 4.42Å; K123-F158 HydrophobicContact CG-CD2 4.41Å; K123-F158 HydrophobicContact CG-CE1 3.91Å; K123-F158 HydrophobicContact CG-CE2 3.9Å; K123-F158 HydrophobicContact CG-CZ 3.64Å; L126-F158 HydrophobicContact CD2-CE1 3.82Å; V154-F158 WeakPolarHBondContact O-CB 3.32Å; V154-F158 PolarHBondContact O-N 3.42Å; C155-F158 PolarHBondContact O-N 2.99Å; F158-F162 WeakPolarHBondContact O-CB 3.39Å; F158-F162 PolarHBondContact O-N 3.1Å; F158-F162 VanDerWaalsContact O-N 3.1Å
159I95.7Very high92.8Very high12 Ų1280 Ų806%0.06243%0.429CS..Hα-helixtrans-72.1-36.6179.3-62.5-60.7000112.4L126 V137 C155 R156 R157 D161 F162 V171L126-I159 HydrophobicContact CD2-CD1 3.87Å; V137-I159 HydrophobicContact CB-CD1 4.18Å; V137-I159 HydrophobicContact CG1-CD1 4.42Å; V137-I159 HydrophobicContact CG2-CD1 3.69Å; C155-I159 WeakPolarHBondContact O-CG1 3.4Å; C155-I159 PolarHBondContact O-N 3.01Å; R156-I159 PolarHBondContact O-N 3.42Å; R157-I159 VanDerWaalsContact C-N 3.29Å; R157-I159 PolarHBondContact O-N 2.92Å; I159-D161 VanDerWaalsContact C-N 3.34Å; I159-F162 PolarHBondContact O-N 3.26Å; I159-V171 HydrophobicContact CD1-CG1 4.07Å; I159-V171 HydrophobicContact CG2-CB 4.29Å; I159-V171 HydrophobicContact CG2-CG1 3.76Å
160N93.7Very high92.5Very high134 Ų13476.5 Ų76.572%0.71742%0.417SS*.Hα-helixtrans-68-36.1175.8-70.5-13000112.1R156 R157 F162R156-N160 WeakPolarHBondContact O-CB 3.41Å; R156-N160 PolarHBondContact O-N 2.86Å; R156-N160 PolarHBondContact O-ND2 3.25Å; R156-N160 PolarHBondContact O-OD1 3.19Å; R157-N160 PolarHBondContact O-N 3.45Å; R157-N160 VanDerWaalsContact O-N 3.16Å; N160-F162 VanDerWaalsContact C-N 3.29Å
161D94.6Very high92.3Very high126 Ų12677.6 Ų77.667%0.67442%0.423SS*.Hα-helixtrans-82.4-9.4179.7-61.1-22.8000112.3R157 I159 Q163R157-D161 WeakPolarHBondContact O-CB 3.48Å; R157-D161 PolarHBondContact O-N 3.3Å; I159-D161 VanDerWaalsContact C-N 3.34Å; D161-Q163 PolarHBondContact O-N 3.14Å; D161-Q163 VanDerWaalsContact O-N 3.09Å
162F94Very high92.2Very high47 Ų4780.2 Ų80.221%0.20643%0.425CS..  trans-72.8103.1-179-176.1-109.7000111.3L126 P127 F158 I159 N160 R164 V171L126-F162 HydrophobicContact CD1-CE1 4.36Å; L126-F162 HydrophobicContact CD2-CB 4.41Å; L126-F162 HydrophobicContact CD2-CD1 3.74Å; L126-F162 HydrophobicContact CD2-CD2 3.78Å; L126-F162 HydrophobicContact CD2-CE1 3.85Å; L126-F162 HydrophobicContact CD2-CE2 3.91Å; L126-F162 HydrophobicContact CD2-CG 3.7Å; L126-F162 HydrophobicContact CD2-CZ 3.94Å; L126-F162 HydrophobicContact CG-CD1 4.17Å; L126-F162 HydrophobicContact CG-CD2 4.45Å; L126-F162 HydrophobicContact CG-CE1 3.76Å; L126-F162 HydrophobicContact CG-CE2 4.09Å; L126-F162 HydrophobicContact CG-CG 4.49Å; L126-F162 HydrophobicContact CG-CZ 3.73Å; P127-F162 HydrophobicContact CB-CE2 4.48Å; P127-F162 HydrophobicContact CG-CE2 4.09Å; F158-F162 WeakPolarHBondContact O-CB 3.39Å; F158-F162 PolarHBondContact O-N 3.1Å; F158-F162 VanDerWaalsContact O-N 3.1Å; I159-F162 PolarHBondContact O-N 3.26Å; N160-F162 VanDerWaalsContact C-N 3.29Å; F162-R164 HydrophobicContact CD1-CG 3.85Å; F162-R164 HydrophobicContact CE1-CG 3.48Å; F162-R164 VanDerWaalsContact CE1-CG 3.48Å; F162-R164 HydrophobicContact CZ-CG 4.34Å; F162-V171 HydrophobicContact CD1-CG2 4.09Å; F162-V171 HydrophobicContact CE1-CG2 4.27Å
163Q87.9Confident92.1Very high183 Ų18378.7 Ų78.786%0.85542%0.417SS*.  trans-78.7131.1179.2-64.8179.5-7.500111.4D161D161-Q163 PolarHBondContact O-N 3.14Å; D161-Q163 VanDerWaalsContact O-N 3.09Å
164R88.2Confident92Very high48 Ų4874.4 Ų74.418%0.18140%0.395CS..  trans-121.6157.8167.3-57.5-174.583.3175.713.8109.1V129 P130 L133 F162 S168 A169V129-R164 PolarHBondContact O-NH2 3.17Å; P130-R164 PolarHBondContact O-NH2 2.9Å; L133-R164 PolarHBondContact O-NH1 3.09Å; F162-R164 HydrophobicContact CD1-CG 3.85Å; F162-R164 HydrophobicContact CE1-CG 3.48Å; F162-R164 VanDerWaalsContact CE1-CG 3.48Å; F162-R164 HydrophobicContact CZ-CG 4.34Å; R164-S168 WeakPolarHBondContact CB-OG 3.29Å; R164-A169 PolarHBondContact NH1-O 3.35Å
165P88.2Confident92Very high93 Ų9371.8 Ų71.860%0.60438%0.378SS*.  trans-50.7151.9174.6-2734.4000112.8S168P165-S168 WeakPolarHBondContact CD-OG 3.15Å; P165-S168 WeakPolarHBondContact O-CB 3.24Å; P165-S168 PolarHBondContact O-N 3.07Å; P165-S168 PolarHBondContact O-OG 2.78Å
166S79.5Confident92Very high124 Ų12471.8 Ų71.887%0.86738%0.378SS*.THydrogen-bonded Turntrans-52.4142.6172.8-59.20000111S168S166-S168 PolarHBondContact O-N 3.36Å
167A80.8Confident92Very high113 Ų11366.9 Ų66.993%0.93436%0.359SS*.THydrogen-bonded Turntrans65.413.5-173.500000116.1
168S87.6Confident91.9Very high32 Ų3258.8 Ų58.822%0.22433%0.329CS..PPolyproline II helixtrans-65.8149.3169.6-62.80000112.1A131 R164 P165 S166A131-S168 WeakPolarHBondContact O-CA 3.5Å; A131-S168 WeakPolarHBondContact O-CB 3.43Å; R164-S168 WeakPolarHBondContact CB-OG 3.29Å; P165-S168 WeakPolarHBondContact CD-OG 3.15Å; P165-S168 WeakPolarHBondContact O-CB 3.24Å; P165-S168 PolarHBondContact O-N 3.07Å; P165-S168 PolarHBondContact O-OG 2.78Å; S166-S168 PolarHBondContact O-N 3.36Å
169A89.2Confident91.9Very high11 Ų1161.4 Ų61.49%0.09134%0.337CS..PPolyproline II helixtrans-65.1150.117200000111.5A131 T132 P134 R164 L197A131-A169 PolarHBondContact O-N 3.38Å; T132-A169 WeakPolarHBondContact O-CB 3.42Å; P134-A169 HydrophobicContact CB-CB 4.2Å; P134-A169 VanDerWaalsContact N-CB 3.33Å; R164-A169 PolarHBondContact NH1-O 3.35Å; A169-L197 HydrophobicContact CB-CD1 4.31Å
170P91.3Very high91.8Very high51 Ų5165.2 Ų65.233%0.33136%0.361SS..PPolyproline II helixtrans-68.6148.8-170.127.7-36.2000112.8P134 I135 V193P134-P170 WeakPolarHBondContact CA-O 3.32Å; P134-P170 HydrophobicContact CB-CG 4.38Å; I135-P170 PolarHBondContact N-O 3.06Å; P170-V193 HydrophobicContact CG-CG1 4.19Å
171V93.9Very high91.6Very high31 Ų3159.7 Ų59.719%0.18834%0.336CS..EExtended strand (participates in β ladder)trans-105.6127.9165.4-173.20000108L126 I135 V137 I159 F162L126-V171 HydrophobicContact CD1-CG1 4.1Å; I135-V171 HydrophobicContact CB-CG1 4.21Å; I135-V171 HydrophobicContact CB-CG2 4.25Å; I135-V171 HydrophobicContact CD1-CG2 4.16Å; I135-V171 HydrophobicContact CG1-CG2 4.44Å; I135-V171 HydrophobicContact CG2-CG1 4.48Å; I135-V171 CarbonylContact O-C 3.57Å; I135-V171 WeakPolarHBondContact O-CA 3.36Å; V137-V171 HydrophobicContact CG2-CG1 4.28Å; I159-V171 HydrophobicContact CD1-CG1 4.07Å; I159-V171 HydrophobicContact CG2-CB 4.29Å; I159-V171 HydrophobicContact CG2-CG1 3.76Å; F162-V171 HydrophobicContact CD1-CG2 4.09Å; F162-V171 HydrophobicContact CE1-CG2 4.27Å
172R93.2Very high91.5Very high107 Ų10758.1 Ų58.140%0.40433%0.326SS..EExtended strand (participates in β ladder)trans-121.5151.3178.7-66.7-175.7179.2169.22.4110.4I135 L136 V137 V193I135-R172 PolarHBondContact O-N 2.88Å; L136-R172 HydrophobicContact CD1-CB 4.09Å; V137-R172 PolarHBondContact N-O 3.38Å; R172-V193 VanDerWaalsContact NH1-CG2 3.29Å
173Y95.3Very high91.1Very high24 Ų2456.4 Ų56.49%0.09432%0.323CS..EExtended strand (participates in β ladder)trans-116.8136.4173.3176.1-97.1000110.5F111 V137 E152 C155 R156 E175F111-Y173 AromaticContact CE1-CE2 3.89Å; F111-Y173 HydrophobicContact CE1-CE2 3.89Å; F111-Y173 AromaticContact CZ-CE2 3.96Å; F111-Y173 HydrophobicContact CZ-CE2 3.96Å; V137-Y173 HydrophobicContact CB-CD2 4.3Å; V137-Y173 HydrophobicContact CG1-CD2 4Å; V137-Y173 HydrophobicContact CG1-CE2 4.49Å; V137-Y173 WeakPolarHBondContact O-CA 3.4Å; E152-Y173 HydrophobicContact CG-CE1 3.89Å; C155-Y173 HydrophobicContact CB-CD2 3.9Å; C155-Y173 HydrophobicContact CB-CE1 4.29Å; C155-Y173 HydrophobicContact CB-CE2 3.33Å; R156-Y173 HydrophobicContact CG-CD1 3.73Å; R156-Y173 HydrophobicContact CG-CE1 4.1Å; R156-Y173 HydrophobicContact CG-CG 4.47Å; Y173-E175 HydrophobicContact CE1-CG 3.87Å; Y173-E175 VanDerWaalsContact OH-CG 3.32Å; Y173-E175 WeakPolarHBondContact OH-CG 3.41Å; Y173-E175 PolarHBondContact OH-OE1 3.07Å
174A95.5Very high90.9Very high9 Ų948.7 Ų48.77%0.07429%0.287CS..EExtended strand (participates in β ladder)trans-145.5162.1170.600000111.2L136 V137 L138 G139 L186L136-A174 HydrophobicContact CD1-CB 4.06Å; V137-A174 PolarHBondContact O-N 3.31Å; L138-A174 WeakPolarHBondContact CA-O 3.38Å; L138-A174 HydrophobicContact CD1-CB 4.01Å; G139-A174 PolarHBondContact N-O 3.09Å; A174-L186 HydrophobicContact CB-CD1 4.2Å
175E96.3Very high90.4Very high23 Ų2355 Ų5511%0.10732%0.315CS..EExtended strand (participates in β ladder)trans-111.4152.4169.8-61.9-166.5158.600110.8G139 R142 R148 Y173G139-E175 CarbonylContact O-C 3.5Å; G139-E175 WeakPolarHBondContact O-CA 3.48Å; R142-E175 WeakPolarHBondContact CD-OE2 3.43Å; R142-E175 HydrophobicContact CG-CB 4.5Å; R142-E175 IonicContact CZ-OE2 3.24Å; R142-E175 IonicContact NE-OE2 2.72Å; R142-E175 PolarHBondContact NE-OE2 3.2Å; R142-E175 IonicContact NH2-OE2 3.16Å; R148-E175 IonicContact CZ-OE1 2.75Å; R148-E175 IonicContact CZ-OE2 3.37Å; R148-E175 IonicContact NH1-OE1 2.73Å; R148-E175 PolarHBondContact NH1-OE1 3.43Å; R148-E175 IonicContact NH1-OE2 2.75Å; R148-E175 VanDerWaalsContact NH2-CD 3.34Å; R148-E175 IonicContact NH2-OE1 2.87Å; R148-E175 PolarHBondContact NH2-OE1 3.29Å; R148-E175 VanDerWaalsContact NH2-OE1 3.13Å; R148-E175 IonicContact NH2-OE2 3.13Å; R148-E175 PolarHBondContact NH2-OE2 3.06Å; Y173-E175 HydrophobicContact CE1-CG 3.87Å; Y173-E175 VanDerWaalsContact OH-CG 3.32Å; Y173-E175 WeakPolarHBondContact OH-CG 3.41Å; Y173-E175 PolarHBondContact OH-OE1 3.07Å
176S96.8Very high89.9Confident0 Ų055.4 Ų55.40%031%0.312CS..  trans-148163.2-177.4650000112.6L138 G139 N140 R141 R142 M178 L182L138-S176 WeakPolarHBondContact CD2-OG 3.47Å; L138-S176 WeakPolarHBondContact CG-OG 3.47Å; G139-S176 PolarHBondContact O-N 3.43Å; N140-S176 CarbonylContact C-O 3.5Å; N140-S176 VanDerWaalsContact CA-O 3.3Å; N140-S176 WeakPolarHBondContact CA-O 3.39Å; N140-S176 PolarHBondContact OD1-O 3.08Å; N140-S176 PolarHBondContact OD1-OG 2.96Å; R141-S176 PolarHBondContact N-O 3.33Å; R141-S176 VanDerWaalsContact N-O 3.15Å; R142-S176 VanDerWaalsContact CB-O 3.26Å; R142-S176 WeakPolarHBondContact CB-O 3.44Å; R142-S176 PolarHBondContact N-O 3.33Å; S176-M178 WeakPolarHBondContact OG-CE 3.44Å; S176-L182 CarbonylContact C-O 3.56Å; S176-L182 WeakPolarHBondContact CA-O 3.47Å; S176-L182 VanDerWaalsContact CB-O 3.3Å; S176-L182 WeakPolarHBondContact CB-O 3.43Å
177S96.9Very high89.8Confident0 Ų049.5 Ų49.50%027%0.271CS..BIsolated β-bridgetrans-135.2111164.5170.30000107.9N140 D143 R179 T180 G181 L182N140-S177 WeakPolarHBondContact OD1-CA 3.33Å; D143-S177 VanDerWaalsContact CG-OG 3.23Å; D143-S177 VanDerWaalsContact OD1-CB 3.28Å; D143-S177 WeakPolarHBondContact OD1-CB 3.3Å; D143-S177 PolarHBondContact OD1-OG 2.63Å; S177-R179 PolarHBondContact O-N 3.15Å; S177-R179 PolarHBondContact OG-N 2.97Å; S177-T180 VanDerWaalsContact CB-OG1 3.28Å; S177-T180 WeakPolarHBondContact CB-OG1 3.47Å; S177-T180 PolarHBondContact O-N 3.02Å; S177-T180 PolarHBondContact OG-N 3.37Å; S177-T180 VanDerWaalsContact OG-N 3.13Å; S177-T180 PolarHBondContact OG-OG1 3.09Å; S177-G181 CarbonylContact O-C 3.56Å; S177-G181 WeakPolarHBondContact O-CA 3.44Å; S177-G181 PolarHBondContact O-N 2.94Å; S177-L182 PolarHBondContact N-O 2.75Å; S177-L182 PolarHBondContact O-N 2.84Å
178M95.3Very high89.4Confident2 Ų249.7 Ų49.71%0.0125%0.248CC..THydrogen-bonded Turntrans-64.2-22.8173.3-64.1-53.1107.300112.1C22 L23 R26 F32 M110 N140 S176 L184C22-M178 HydrophobicContact CB-CB 3.77Å; C22-M178 HydrophobicContact CB-CG 3.98Å; L23-M178 WeakPolarHBondContact CA-SD 3.36Å; L23-M178 HydrophobicContact CB-CG 4.28Å; L23-M178 HydrophobicContact CB-SD 3.69Å; L23-M178 HydrophobicContact CD1-CE 4Å; L23-M178 HydrophobicContact CD1-SD 3.71Å; L23-M178 HydrophobicContact CG-SD 4.31Å; R26-M178 HydrophobicContact CB-SD 4.26Å; R26-M178 HydrophobicContact CG-CB 4.45Å; R26-M178 HydrophobicContact CG-SD 4.03Å; F32-M178 VanDerWaalsContact CD2-C 3.49Å; F32-M178 HydrophobicContact CD2-CB 4.19Å; F32-M178 VanDerWaalsContact CD2-O 3.24Å; F32-M178 WeakPolarHBondContact CD2-O 3.38Å; F32-M178 HydrophobicContact CE2-CB 4.25Å; M110-M178 HydrophobicContact CE-CG 3.94Å; N140-M178 PolarHBondContact OD1-N 2.96Å; N140-M178 VanDerWaalsContact OD1-N 3.07Å; S176-M178 WeakPolarHBondContact OG-CE 3.44Å; M178-L184 HydrophobicContact CE-CD2 3.9Å; M178-L184 HydrophobicContact SD-CD2 4.03Å
179R95.4Very high88.8Confident120 Ų12052 Ų5245%0.45326%0.261SS..THydrogen-bonded Turntrans-68.6-50.6175.5-173.7175.1-163-1653.8112.4F32 E34 D143 S177F32-R179 HydrophobicContact CD1-CB 4.03Å; F32-R179 HydrophobicContact CD1-CG 3.81Å; F32-R179 HydrophobicContact CD2-CB 4.47Å; F32-R179 HydrophobicContact CE1-CB 3.72Å; F32-R179 HydrophobicContact CE1-CG 3.55Å; F32-R179 HydrophobicContact CE2-CB 4.22Å; F32-R179 HydrophobicContact CG-CB 4.38Å; F32-R179 HydrophobicContact CZ-CB 3.84Å; F32-R179 HydrophobicContact CZ-CG 4.16Å; E34-R179 IonicContact OE1-CZ 3.43Å; E34-R179 IonicContact OE1-NE 3.37Å; E34-R179 PolarHBondContact OE1-NE 2.75Å; E34-R179 IonicContact OE1-NH2 3.82Å; E34-R179 PolarHBondContact OE1-NH2 2.76Å; D143-R179 VanDerWaalsContact OD2-CD 3.28Å; D143-R179 WeakPolarHBondContact OD2-CD 3.34Å; S177-R179 PolarHBondContact O-N 3.15Å; S177-R179 PolarHBondContact OG-N 2.97Å
180T93.6Very high88.4Confident92 Ų9251.6 Ų51.656%0.56426%0.257SS*.THydrogen-bonded Turntrans-94.6-14.1-175.6670000113.4D143 S177 L182D143-T180 HydrophobicContact CB-CG2 4.03Å; S177-T180 VanDerWaalsContact CB-OG1 3.28Å; S177-T180 WeakPolarHBondContact CB-OG1 3.47Å; S177-T180 PolarHBondContact O-N 3.02Å; S177-T180 PolarHBondContact OG-N 3.37Å; S177-T180 VanDerWaalsContact OG-N 3.13Å; S177-T180 PolarHBondContact OG-OG1 3.09Å; T180-L182 VanDerWaalsContact C-N 3.32Å; T180-L182 WeakPolarHBondContact OG1-CB 3.47Å; T180-L182 PolarHBondContact OG1-N 2.74Å
181G90.8Very high87.8Confident18 Ų1849.5 Ų49.519%0.18624%0.243CC..THydrogen-bonded Turntrans82.94.6-171.200000114.4S177 G183 L184S177-G181 CarbonylContact O-C 3.56Å; S177-G181 WeakPolarHBondContact O-CA 3.44Å; S177-G181 PolarHBondContact O-N 2.94Å; G181-G183 PolarHBondContact O-N 2.94Å; G181-L184 WeakPolarHBondContact O-CB 3.3Å; G181-L184 WeakPolarHBondContact O-CG 3.19Å; G181-L184 PolarHBondContact O-N 3.13Å
182L91.9Very high86.9Confident92 Ų9249.7 Ų49.748%0.48224%0.243SC..BIsolated β-bridgetrans-57.4138.3174.3-174.872.2000110.4R142 S176 S177 T180 L184R142-L182 HydrophobicContact CB-CD2 3.89Å; R142-L182 HydrophobicContact CG-CD2 3.53Å; S176-L182 CarbonylContact C-O 3.56Å; S176-L182 WeakPolarHBondContact CA-O 3.47Å; S176-L182 VanDerWaalsContact CB-O 3.3Å; S176-L182 WeakPolarHBondContact CB-O 3.43Å; S177-L182 PolarHBondContact N-O 2.75Å; S177-L182 PolarHBondContact O-N 2.84Å; T180-L182 VanDerWaalsContact C-N 3.32Å; T180-L182 WeakPolarHBondContact OG1-CB 3.47Å; T180-L182 PolarHBondContact OG1-N 2.74Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 2.93Å
183G85.4Confident85.8Confident12 Ų1245.4 Ų45.412%0.12423%0.229CC..THydrogen-bonded Turntrans83.1-12.317700000114.9G181 K185 L186 L187G181-G183 PolarHBondContact O-N 2.94Å; G183-K185 VanDerWaalsContact C-N 3.29Å; G183-K185 PolarHBondContact O-N 2.75Å; G183-L186 WeakPolarHBondContact O-CB 3.44Å; G183-L186 PolarHBondContact O-N 2.98Å; G183-L187 PolarHBondContact O-N 3.41Å
184L84Confident84.3Confident21 Ų2144.3 Ų44.311%0.1123%0.225CC..Hα-helixtrans-58.5-40.8177.5-67.9178000111.6L23 R26 M178 G181 L182 L186 L187 Y188L23-L184 HydrophobicContact CD1-CD2 4.14Å; R26-L184 HydrophobicContact CB-CD1 4.04Å; R26-L184 HydrophobicContact CB-CD2 4.01Å; M178-L184 HydrophobicContact CE-CD2 3.9Å; M178-L184 HydrophobicContact SD-CD2 4.03Å; G181-L184 WeakPolarHBondContact O-CB 3.3Å; G181-L184 WeakPolarHBondContact O-CG 3.19Å; G181-L184 PolarHBondContact O-N 3.13Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 2.93Å; L184-L186 PolarHBondContact O-N 3.39Å; L184-L187 HydrophobicContact CD2-CD1 3.92Å; L184-L187 WeakPolarHBondContact O-CA 3.25Å; L184-L187 VanDerWaalsContact O-CB 3.29Å; L184-L187 WeakPolarHBondContact O-CB 3.11Å; L184-L187 PolarHBondContact O-N 2.72Å; L184-Y188 VanDerWaalsContact O-CD2 3.3Å; L184-Y188 WeakPolarHBondContact O-CD2 3.26Å; L184-Y188 PolarHBondContact O-N 2.57Å
185K78.5Confident82.9Confident179 Ų17945.1 Ų45.178%0.77823%0.227SC*.Hα-helixtrans-59.4-31.3176.1-170.6177.8179.3-178.20113.6G183 Y188 V189G183-K185 VanDerWaalsContact C-N 3.29Å; G183-K185 PolarHBondContact O-N 2.75Å; K185-Y188 WeakPolarHBondContact O-CB 3.27Å; K185-Y188 PolarHBondContact O-N 3.3Å; K185-V189 PolarHBondContact O-N 3.36Å
186L75.9Confident81.3Confident103 Ų10347.8 Ų47.854%0.53924%0.241SC..Hα-helixtrans-73.7-37.2176-73.2166.6000111.4A174 G183 L184 Y188 V189 F190A174-L186 HydrophobicContact CB-CD1 4.2Å; G183-L186 WeakPolarHBondContact O-CB 3.44Å; G183-L186 PolarHBondContact O-N 2.98Å; L184-L186 PolarHBondContact O-N 3.39Å; L186-Y188 PolarHBondContact O-N 2.93Å; L186-V189 PolarHBondContact O-N 3.29Å; L186-V189 VanDerWaalsContact O-N 3.1Å; L186-F190 PolarHBondContact O-N 3.13Å
187L77.3Confident79.7Confident0 Ų050.7 Ų50.70%026%0.256CS..Hα-helixtrans-59.3-38.6169.5-75.6151.4000110.8L23 I108 L136 L138 G183 L184 V189 F190 L191L23-L187 HydrophobicContact CD1-CD1 3.4Å; L23-L187 VanDerWaalsContact CD1-CD1 3.4Å; L23-L187 HydrophobicContact CD1-CD2 4.4Å; I108-L187 HydrophobicContact CD1-CD2 3.73Å; L136-L187 HydrophobicContact CD2-CD2 3.3Å; L136-L187 HydrophobicContact CD2-CG 4.03Å; L138-L187 HydrophobicContact CD2-CD1 4.05Å; L138-L187 HydrophobicContact CD2-CD2 4.29Å; G183-L187 PolarHBondContact O-N 3.41Å; L184-L187 HydrophobicContact CD2-CD1 3.92Å; L184-L187 WeakPolarHBondContact O-CA 3.25Å; L184-L187 VanDerWaalsContact O-CB 3.29Å; L184-L187 WeakPolarHBondContact O-CB 3.11Å; L184-L187 PolarHBondContact O-N 2.72Å; L187-V189 VanDerWaalsContact C-N 3.28Å; L187-V189 PolarHBondContact O-N 3.33Å; L187-F190 PolarHBondContact O-N 3.27Å; L187-F190 VanDerWaalsContact O-N 3.13Å; L187-L191 WeakPolarHBondContact O-CG 3.24Å; L187-L191 PolarHBondContact O-N 3.48Å
188Y73.9Confident78.1Confident116 Ų11653.3 Ų53.346%0.45527%0.27SS..Hα-helixtrans-58.6-40.6174-86.7-102000112.6W49 L184 K185 L186W49-Y188 HydrophobicContact CE3-CD1 4.49Å; W49-Y188 HydrophobicContact CE3-CE1 4.16Å; W49-Y188 VanDerWaalsContact CH2-CA 3.42Å; W49-Y188 AromaticContact CH2-CD1 2.87Å; W49-Y188 HydrophobicContact CH2-CD1 2.87Å; W49-Y188 AromaticContact CH2-CD2 3.58Å; W49-Y188 HydrophobicContact CH2-CD2 3.58Å; W49-Y188 AromaticContact CH2-CE1 3.14Å; W49-Y188 HydrophobicContact CH2-CE1 3.14Å; W49-Y188 AromaticContact CH2-CE2 3.83Å; W49-Y188 HydrophobicContact CH2-CE2 3.83Å; W49-Y188 AromaticContact CH2-CG 3.08Å; W49-Y188 HydrophobicContact CH2-CG 3.08Å; W49-Y188 AromaticContact CH2-CZ 3.6Å; W49-Y188 AromaticContact CZ2-CD1 3.04Å; W49-Y188 HydrophobicContact CZ2-CD1 3.04Å; W49-Y188 HydrophobicContact CZ2-CD2 4.35Å; W49-Y188 AromaticContact CZ2-CE1 3.67Å; W49-Y188 HydrophobicContact CZ2-CE1 3.67Å; W49-Y188 AromaticContact CZ2-CG 3.42Å; W49-Y188 HydrophobicContact CZ2-CG 3.42Å; W49-Y188 VanDerWaalsContact CZ2-CG 3.42Å; W49-Y188 VanDerWaalsContact CZ2-O 3.31Å; W49-Y188 WeakPolarHBondContact CZ2-O 3.45Å; W49-Y188 AromaticContact CZ3-CD1 3.67Å; W49-Y188 HydrophobicContact CZ3-CD1 3.67Å; W49-Y188 HydrophobicContact CZ3-CD2 4.36Å; W49-Y188 AromaticContact CZ3-CE1 3.39Å; W49-Y188 HydrophobicContact CZ3-CE1 3.39Å; W49-Y188 HydrophobicContact CZ3-CE2 4.15Å; W49-Y188 HydrophobicContact CZ3-CG 4.12Å; W49-Y188 AromaticContact CZ3-CZ 3.64Å; L184-Y188 VanDerWaalsContact O-CD2 3.3Å; L184-Y188 WeakPolarHBondContact O-CD2 3.26Å; L184-Y188 PolarHBondContact O-N 2.57Å; K185-Y188 WeakPolarHBondContact O-CB 3.27Å; K185-Y188 PolarHBondContact O-N 3.3Å; L186-Y188 PolarHBondContact O-N 2.93Å
189V74.9Confident76.4Confident80 Ų8058 Ų5849%0.48529%0.292SS..Hα-helixtrans-73.6-33.8176.9177.70000111.7K185 L186 L187 N192K185-V189 PolarHBondContact O-N 3.36Å; L186-V189 PolarHBondContact O-N 3.29Å; L186-V189 VanDerWaalsContact O-N 3.1Å; L187-V189 VanDerWaalsContact C-N 3.28Å; L187-V189 PolarHBondContact O-N 3.33Å; V189-N192 WeakPolarHBondContact O-CB 3.28Å; V189-N192 PolarHBondContact O-N 2.82Å
190F80Confident74.7Confident4 Ų457.5 Ų57.52%0.01830%0.301CS..Hα-helixtrans-65.8-42.1177.8176.8-103.2000112.2A106 I108 P134 L136 L186 L187 N192 V193 P194A106-F190 HydrophobicContact CB-CE1 3.95Å; A106-F190 HydrophobicContact CB-CZ 4.12Å; I108-F190 HydrophobicContact CG1-CE1 4.16Å; P134-F190 HydrophobicContact CB-CE2 4.27Å; P134-F190 HydrophobicContact CB-CZ 4.34Å; L136-F190 HydrophobicContact CB-CD1 3.86Å; L136-F190 HydrophobicContact CB-CD2 3.83Å; L136-F190 HydrophobicContact CB-CE1 3.68Å; L136-F190 HydrophobicContact CB-CE2 3.64Å; L136-F190 HydrophobicContact CB-CG 3.93Å; L136-F190 HydrophobicContact CB-CZ 3.56Å; L136-F190 HydrophobicContact CD2-CB 4.13Å; L136-F190 HydrophobicContact CD2-CD1 3.95Å; L136-F190 HydrophobicContact CD2-CG 3.93Å; L136-F190 HydrophobicContact CG-CG 4.41Å; L186-F190 PolarHBondContact O-N 3.13Å; L187-F190 PolarHBondContact O-N 3.27Å; L187-F190 VanDerWaalsContact O-N 3.13Å; F190-N192 PolarHBondContact O-N 2.84Å; F190-N192 VanDerWaalsContact O-N 3.13Å; F190-V193 WeakPolarHBondContact O-CB 3.28Å; F190-V193 PolarHBondContact O-N 3.37Å; F190-P194 WeakPolarHBondContact O-CD 3.28Å
191L78.8Confident72.7Confident6 Ų659.1 Ų59.13%0.03131%0.306CS..Hα-helixtrans-64.3-16.3179-69.4178.6000113.8V10 L27 W49 V60 L187 P194V10-L191 HydrophobicContact CB-CD2 4.5Å; V10-L191 HydrophobicContact CG1-CD2 4.27Å; V10-L191 HydrophobicContact CG2-CD2 3.69Å; L27-L191 HydrophobicContact CD2-CD1 4.4Å; W49-L191 HydrophobicContact CD2-CD1 4.36Å; W49-L191 HydrophobicContact CE3-CD1 4.05Å; W49-L191 HydrophobicContact CH2-CB 4.38Å; W49-L191 HydrophobicContact CH2-CD1 3.58Å; W49-L191 HydrophobicContact CH2-CG 4.49Å; W49-L191 HydrophobicContact CZ2-CB 3.98Å; W49-L191 HydrophobicContact CZ2-CD1 4.04Å; W49-L191 HydrophobicContact CZ3-CD1 3.64Å; V60-L191 HydrophobicContact CG1-CD2 4.46Å; L187-L191 WeakPolarHBondContact O-CG 3.24Å; L187-L191 PolarHBondContact O-N 3.48Å; L191-P194 WeakPolarHBondContact O-CD 3.47Å
192N75Confident70.6Confident36 Ų3663 Ų6319%0.19333%0.328CS..Hα-helixtrans-76.2-20170.8-68.5-12.1000113.3W49 Y51 V189 F190 L196W49-N192 PolarHBondContact NE1-OD1 3.09Å; W49-N192 VanDerWaalsContact NE1-OD1 3.09Å; Y51-N192 HydrophobicContact CD2-CB 4.17Å; Y51-N192 HydrophobicContact CE2-CB 3.85Å; V189-N192 WeakPolarHBondContact O-CB 3.28Å; V189-N192 PolarHBondContact O-N 2.82Å; F190-N192 PolarHBondContact O-N 2.84Å; F190-N192 VanDerWaalsContact O-N 3.13Å; N192-L196 PolarHBondContact O-N 2.93Å
193V71Confident68.6Low16 Ų1668.4 Ų68.410%0.09737%0.369CS..Hα-helixtrans-68.1-48.3-178.7176.40000112.3P134 P170 R172 F190 F195 L196 L197P134-V193 HydrophobicContact CB-CG1 4.1Å; P134-V193 HydrophobicContact CG-CG1 4.46Å; P170-V193 HydrophobicContact CG-CG1 4.19Å; R172-V193 VanDerWaalsContact NH1-CG2 3.29Å; F190-V193 WeakPolarHBondContact O-CB 3.28Å; F190-V193 PolarHBondContact O-N 3.37Å; V193-F195 PolarHBondContact O-N 3.09Å; V193-L196 PolarHBondContact O-N 2.73Å; V193-L197 HydrophobicContact CG1-CD1 4.22Å; V193-L197 WeakPolarHBondContact O-CG 3.32Å; V193-L197 PolarHBondContact O-N 2.87Å; V193-L197 VanDerWaalsContact O-N 3.07Å
194P63.1Low67.7Low2 Ų271.2 Ų71.21%0.01338%0.381CS..Hα-helixtrans-56.9-38.4175.1-26.435.3000113V8 N105 A106 P134 F190 L191 L197 I198V8-P194 HydrophobicContact CG1-CB 3.93Å; N105-P194 HydrophobicContact CB-CB 4.07Å; A106-P194 HydrophobicContact CB-CG 3.6Å; P134-P194 HydrophobicContact CG-CG 4.02Å; F190-P194 WeakPolarHBondContact O-CD 3.28Å; L191-P194 WeakPolarHBondContact O-CD 3.47Å; P194-L197 PolarHBondContact O-N 3.09Å; P194-I198 VanDerWaalsContact O-CG1 3.31Å; P194-I198 WeakPolarHBondContact O-CG1 3.49Å; P194-I198 PolarHBondContact O-N 3.14Å
195F66.4Low66.9Low26 Ų2673.8 Ų73.811%0.11440%0.395CS..Hα-helixtrans-61.9-47.3177.8-174.4-101.1000111.7Y51 V58 V193 L197 I198 E199Y51-F195 AromaticContact CD1-CD1 3.76Å; Y51-F195 HydrophobicContact CD1-CD1 3.76Å; Y51-F195 AromaticContact CD1-CE1 3.38Å; Y51-F195 HydrophobicContact CD1-CE1 3.38Å; Y51-F195 HydrophobicContact CD1-CZ 4.24Å; Y51-F195 HydrophobicContact CD2-CB 4.41Å; Y51-F195 AromaticContact CD2-CD1 3.54Å; Y51-F195 HydrophobicContact CD2-CD1 3.54Å; Y51-F195 HydrophobicContact CD2-CE1 4.04Å; Y51-F195 HydrophobicContact CD2-CG 4.13Å; Y51-F195 AromaticContact CE1-CD1 3.71Å; Y51-F195 HydrophobicContact CE1-CD1 3.71Å; Y51-F195 AromaticContact CE1-CE1 3.49Å; Y51-F195 HydrophobicContact CE1-CE1 3.49Å; Y51-F195 VanDerWaalsContact CE1-CE1 3.49Å; Y51-F195 HydrophobicContact CE2-CB 4.45Å; Y51-F195 AromaticContact CE2-CD1 3.49Å; Y51-F195 HydrophobicContact CE2-CD1 3.49Å; Y51-F195 VanDerWaalsContact CE2-CD1 3.49Å; Y51-F195 HydrophobicContact CE2-CE1 4.14Å; Y51-F195 HydrophobicContact CE2-CG 4.31Å; Y51-F195 AromaticContact CG-CD1 3.67Å; Y51-F195 HydrophobicContact CG-CD1 3.67Å; Y51-F195 AromaticContact CG-CE1 3.67Å; Y51-F195 HydrophobicContact CG-CE1 3.67Å; Y51-F195 HydrophobicContact CG-CG 4.4Å; Y51-F195 HydrophobicContact CG-CZ 4.42Å; Y51-F195 AromaticContact CZ-CD1 3.59Å; Y51-F195 AromaticContact CZ-CE1 3.89Å; V58-F195 HydrophobicContact CG1-CD2 4.49Å; V58-F195 HydrophobicContact CG2-CD2 3.58Å; V58-F195 HydrophobicContact CG2-CE2 3.39Å; V58-F195 HydrophobicContact CG2-CZ 4.24Å; V193-F195 PolarHBondContact O-N 3.09Å; F195-L197 VanDerWaalsContact C-N 3.28Å; F195-L197 PolarHBondContact O-N 3.3Å; F195-I198 PolarHBondContact O-N 2.73Å; F195-I198 VanDerWaalsContact O-N 3.15Å; F195-E199 HydrophobicContact CD1-CG 4.29Å; F195-E199 HydrophobicContact CE1-CG 3.9Å; F195-E199 WeakPolarHBondContact CE1-OE1 3.45Å; F195-E199 WeakPolarHBondContact CE1-OE2 3.5Å; F195-E199 HydrophobicContact CE2-CG 4.46Å; F195-E199 VanDerWaalsContact CZ-CD 3.46Å; F195-E199 HydrophobicContact CZ-CG 4Å; F195-E199 WeakPolarHBondContact CZ-OE1 3.3Å; F195-E199 PolarHBondContact O-N 2.74Å
196L62.5Low66.2Low78 Ų7868 Ų6841%0.40837%0.374SS..Hα-helixtrans-59.6-37.3174.6-74.6170.4000112.8Y51 N192 V193 I198 V200Y51-L196 WeakPolarHBondContact OH-CD2 3.23Å; N192-L196 PolarHBondContact O-N 2.93Å; V193-L196 PolarHBondContact O-N 2.73Å; L196-I198 VanDerWaalsContact C-N 3.34Å; L196-V200 WeakPolarHBondContact O-CB 3.41Å; L196-V200 WeakPolarHBondContact O-CG2 3.2Å; L196-V200 PolarHBondContact O-N 3.37Å; L196-V200 VanDerWaalsContact O-N 3.09Å
197L63.6Low65.6Low62 Ų6265.9 Ų65.933%0.32536%0.364SS..Hα-helixtrans-68.7-33.4178.1-69.4173.1000112.4P134 A169 V193 P194 F195 L201P134-L197 HydrophobicContact CB-CD1 4.4Å; P134-L197 HydrophobicContact CG-CD1 3.97Å; A169-L197 HydrophobicContact CB-CD1 4.31Å; V193-L197 HydrophobicContact CG1-CD1 4.22Å; V193-L197 WeakPolarHBondContact O-CG 3.32Å; V193-L197 PolarHBondContact O-N 2.87Å; V193-L197 VanDerWaalsContact O-N 3.07Å; P194-L197 PolarHBondContact O-N 3.09Å; F195-L197 VanDerWaalsContact C-N 3.28Å; F195-L197 PolarHBondContact O-N 3.3Å; L197-L201 PolarHBondContact O-N 2.95Å
198I62.9Low64.9Low55 Ų5570.1 Ų70.128%0.28239%0.387SS..Hα-helixtrans-74.8-38.3176.9-65.7162.7000111.1V8 P194 F195 L196V8-I198 HydrophobicContact CG2-CD1 4.13Å; P194-I198 VanDerWaalsContact O-CG1 3.31Å; P194-I198 WeakPolarHBondContact O-CG1 3.49Å; P194-I198 PolarHBondContact O-N 3.14Å; F195-I198 PolarHBondContact O-N 2.73Å; F195-I198 VanDerWaalsContact O-N 3.15Å; L196-I198 VanDerWaalsContact C-N 3.34Å
199E60.3Low64.3Low100 Ų10067 Ų6747%0.46738%0.382SS..Hα-helixtrans-73.3-36.8-179.9-72.8-166.6143.900113.4F195F195-E199 HydrophobicContact CD1-CG 4.29Å; F195-E199 HydrophobicContact CE1-CG 3.9Å; F195-E199 WeakPolarHBondContact CE1-OE1 3.45Å; F195-E199 WeakPolarHBondContact CE1-OE2 3.5Å; F195-E199 HydrophobicContact CE2-CG 4.46Å; F195-E199 VanDerWaalsContact CZ-CD 3.46Å; F195-E199 HydrophobicContact CZ-CG 4Å; F195-E199 WeakPolarHBondContact CZ-OE1 3.3Å; F195-E199 PolarHBondContact O-N 2.74Å
200V58.8Low63.6Low109 Ų10966.1 Ų66.166%0.66138%0.375SS*.Hα-helixtrans-84.1-22.3-173.9178.10000112.3L196 P202L196-V200 WeakPolarHBondContact O-CB 3.41Å; L196-V200 WeakPolarHBondContact O-CG2 3.2Å; L196-V200 PolarHBondContact O-N 3.37Å; L196-V200 VanDerWaalsContact O-N 3.09Å; V200-P202 WeakPolarHBondContact O-CD 3.17Å
201L51.1Low62.3Low126 Ų12670.8 Ų70.866%0.6640%0.402SS*.  trans-117.487.1177.2-62.2172.8000109.1L197L197-L201 PolarHBondContact O-N 2.95Å
202P46.7Very low60.9Low101 Ų10176.3 Ų76.366%0.65643%0.433SS*.  trans-57.9152.516226.4-31.5000109.1V200V200-P202 WeakPolarHBondContact O-CD 3.17Å
203P49.7Very low59.7Low204 Ų20479.9 Ų79.9100%1.32546%0.455SS*.  trans-54.90-178.124.3-34.7000113.5

Retrieved 203 of 203 residues in 172.9 ms (Link to these results)

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