A0A077ZFS5_TRITR Loading...

40S ribosomal protein S12

AlphaFold DB , UniProt , Accession A0A077ZFS5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 129 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
1M42.3Very low77Confident237 Ų237108.2 Ų108.2100%1.16756%0.561SS**  0113.30-67.2176.2178.500104.9S3M1-S3 PolarHBondContact O-N 2.73Å
2E52.5Low78.4Confident192 Ų192101.7 Ų101.790%0.89753%0.527SS*.  trans-56.3109.6-170.4-75.2148.2145.500109.8S4E2-S4 PolarHBondContact O-N 3.32Å
3S58.4Low79.7Confident109 Ų109102.8 Ų102.876%0.76253%0.534SS*.  trans-67.578164.6-62.90000106.8M1 K5M1-S3 PolarHBondContact O-N 2.73Å; S3-K5 PolarHBondContact O-N 2.98Å
4S73.6Confident80.7Confident99 Ų9996.7 Ų96.769%0.69250%0.502SS*.  trans-56.3112.3171.953.60000106.8E2 P6E2-S4 PolarHBondContact O-N 3.32Å; S4-P6 WeakPolarHBondContact O-CD 3.39Å; S4-P6 VanDerWaalsContact O-N 3.11Å
5K80.6Confident81.7Confident122 Ų12290.3 Ų90.353%0.5347%0.469SS..PPolyproline II helixtrans-50.4120.1176.1172.5170.5178.3153.80108S3 S127S3-K5 PolarHBondContact O-N 2.98Å; K5-S127 WeakPolarHBondContact CD-OG 3.43Å; K5-S127 WeakPolarHBondContact CE-OG 3.36Å; K5-S127 WeakPolarHBondContact CG-OG 3.25Å; K5-S127 PolarHBondContact NZ-O 3.48Å; K5-S127 PolarHBondContact NZ-OG 3.29Å
6P84.6Confident82.4Confident9 Ų990.3 Ų90.36%0.05846%0.461CS..PPolyproline II helixtrans-59.3145.217920.6-29.6000110.1S4 I120 R123 Y124S4-P6 WeakPolarHBondContact O-CD 3.39Å; S4-P6 VanDerWaalsContact O-N 3.11Å; P6-I120 HydrophobicContact CB-CG2 3.83Å; P6-I120 HydrophobicContact CG-CG2 4.28Å; P6-R123 HydrophobicContact CG-CB 4.18Å; P6-Y124 HydrophobicContact CG-CD2 4.07Å; P6-Y124 HydrophobicContact CG-CG 4.41Å; P6-Y124 WeakPolarHBondContact O-CD2 3.44Å
7T90.7Very high83.1Confident83 Ų8389.5 Ų89.551%0.50946%0.455SS..PPolyproline II helixtrans-69.1159.2179.263.40000110.4E9 E10 Y11T7-E9 PolarHBondContact O-N 3.32Å; T7-E10 PolarHBondContact N-OE2 3.05Å; T7-E10 PolarHBondContact O-N 3.14Å; T7-E10 VanDerWaalsContact OG1-CB 3.25Å; T7-E10 WeakPolarHBondContact OG1-CB 3.27Å; T7-E10 PolarHBondContact OG1-N 3.37Å; T7-Y11 WeakPolarHBondContact O-CB 3.42Å; T7-Y11 PolarHBondContact O-N 3Å
8K88.4Confident83.8Confident93 Ų9384.6 Ų84.640%0.40443%0.43SS..Hα-helixtrans-59-36.1175.6-173.2170.8-177.5168.10111.3L12 E51K8-L12 HydrophobicContact CG-CD1 4.36Å; K8-L12 VanDerWaalsContact O-CG 3.26Å; K8-L12 WeakPolarHBondContact O-CG 3.27Å; K8-L12 PolarHBondContact O-N 2.92Å; K8-E51 IonicContact NZ-OE2 3.63Å
9E91.3Very high84.4Confident162 Ų16280.1 Ų80.176%0.75741%0.407SS*.Hα-helixtrans-66.3-47.7178-64.3179.1-17800111.9T7 Y11 L12 L13T7-E9 PolarHBondContact O-N 3.32Å; E9-Y11 VanDerWaalsContact C-N 3.35Å; E9-Y11 PolarHBondContact O-N 3.26Å; E9-L12 PolarHBondContact O-N 3.46Å; E9-L13 PolarHBondContact O-N 3.24Å
10E92.1Very high84.8Confident80 Ų8081.2 Ų81.237%0.37441%0.409SS..Hα-helixtrans-61.7-43.3176.6-173.7-177.2-170.200111.3T7 L12 L13 N14 I120T7-E10 PolarHBondContact N-OE2 3.05Å; T7-E10 PolarHBondContact O-N 3.14Å; T7-E10 VanDerWaalsContact OG1-CB 3.25Å; T7-E10 WeakPolarHBondContact OG1-CB 3.27Å; T7-E10 PolarHBondContact OG1-N 3.37Å; E10-L12 PolarHBondContact O-N 3.42Å; E10-L13 PolarHBondContact O-N 2.88Å; E10-N14 WeakPolarHBondContact O-CB 3.46Å; E10-N14 PolarHBondContact O-N 3.11Å; E10-N14 PolarHBondContact O-ND2 3.14Å; E10-I120 HydrophobicContact CG-CG2 3.98Å
11Y92.7Very high85.2Confident4 Ų478.3 Ų78.32%0.01640%0.396CS..Hα-helixtrans-56.8-48.2174.1161.3-104.3000112.4T7 E9 L13 N14 L15 A74 R75 V121 Y124 L125T7-Y11 WeakPolarHBondContact O-CB 3.42Å; T7-Y11 PolarHBondContact O-N 3Å; E9-Y11 VanDerWaalsContact C-N 3.35Å; E9-Y11 PolarHBondContact O-N 3.26Å; Y11-L13 PolarHBondContact O-N 3.41Å; Y11-N14 PolarHBondContact O-N 3.36Å; Y11-L15 HydrophobicContact CE1-CD2 4.24Å; Y11-L15 HydrophobicContact CE2-CD2 4.4Å; Y11-L15 VanDerWaalsContact O-CB 3.24Å; Y11-L15 WeakPolarHBondContact O-CB 3.45Å; Y11-L15 PolarHBondContact O-N 2.85Å; Y11-A74 WeakPolarHBondContact OH-CB 3.46Å; Y11-R75 WeakPolarHBondContact CE1-O 3.5Å; Y11-R75 PolarHBondContact OH-N 2.83Å; Y11-R75 PolarHBondContact OH-O 3.38Å; Y11-V121 HydrophobicContact CD2-CG2 4.44Å; Y11-V121 HydrophobicContact CE2-CG1 4.15Å; Y11-Y124 AromaticContact CD1-CD1 3.72Å; Y11-Y124 HydrophobicContact CD1-CD1 3.72Å; Y11-Y124 AromaticContact CD1-CE1 3.6Å; Y11-Y124 HydrophobicContact CD1-CE1 3.6Å; Y11-Y124 HydrophobicContact CD1-CG 4.24Å; Y11-Y124 VanDerWaalsContact CD2-CB 3.46Å; Y11-Y124 AromaticContact CD2-CD1 3.27Å; Y11-Y124 HydrophobicContact CD2-CD1 3.27Å; Y11-Y124 HydrophobicContact CD2-CD2 4.35Å; Y11-Y124 HydrophobicContact CD2-CE1 4.06Å; Y11-Y124 AromaticContact CD2-CG 3.44Å; Y11-Y124 HydrophobicContact CD2-CG 3.44Å; Y11-Y124 VanDerWaalsContact CD2-CG 3.44Å; Y11-Y124 AromaticContact CE1-CD1 3.98Å; Y11-Y124 HydrophobicContact CE1-CD1 3.98Å; Y11-Y124 AromaticContact CE1-CE1 3.83Å; Y11-Y124 HydrophobicContact CE1-CE1 3.83Å; Y11-Y124 AromaticContact CE2-CD1 3.53Å; Y11-Y124 HydrophobicContact CE2-CD1 3.53Å; Y11-Y124 HydrophobicContact CE2-CE1 4.23Å; Y11-Y124 HydrophobicContact CE2-CG 4.14Å; Y11-Y124 AromaticContact CG-CD1 3.34Å; Y11-Y124 HydrophobicContact CG-CD1 3.34Å; Y11-Y124 AromaticContact CG-CD2 3.96Å; Y11-Y124 HydrophobicContact CG-CD2 3.96Å; Y11-Y124 AromaticContact CG-CE1 3.71Å; Y11-Y124 HydrophobicContact CG-CE1 3.71Å; Y11-Y124 HydrophobicContact CG-CE2 4.3Å; Y11-Y124 AromaticContact CG-CG 3.47Å; Y11-Y124 HydrophobicContact CG-CG 3.47Å; Y11-Y124 VanDerWaalsContact CG-CG 3.47Å; Y11-Y124 AromaticContact CZ-CD1 3.88Å; Y11-L125 HydrophobicContact CE2-CD2 4.18Å; Y11-L125 HydrophobicContact CE2-CG 4.46Å
12L94Very high87.7Confident30 Ų3067 Ų6716%0.15734%0.341CS..Hα-helixtrans-65.8-39.2-178.6-69.1174.9000112.2K8 E9 E10 R16 P77 W85K8-L12 HydrophobicContact CG-CD1 4.36Å; K8-L12 VanDerWaalsContact O-CG 3.26Å; K8-L12 WeakPolarHBondContact O-CG 3.27Å; K8-L12 PolarHBondContact O-N 2.92Å; E9-L12 PolarHBondContact O-N 3.46Å; E10-L12 PolarHBondContact O-N 3.42Å; L12-R16 WeakPolarHBondContact O-CB 3.22Å; L12-R16 PolarHBondContact O-N 3.22Å; L12-P77 HydrophobicContact CD1-CG 4.18Å; L12-W85 HydrophobicContact CB-CH2 4.04Å; L12-W85 HydrophobicContact CD2-CH2 3.97Å; L12-W85 HydrophobicContact CD2-CZ3 4.32Å; L12-W85 HydrophobicContact CG-CH2 4.47Å
13L94.5Very high89.7Confident117 Ų11760 Ų6061%0.61331%0.308SS*.Hα-helixtrans-62.5-46.3176.5-178.766.4000111.6E9 E10 Y11 R16 E17E9-L13 PolarHBondContact O-N 3.24Å; E10-L13 PolarHBondContact O-N 2.88Å; Y11-L13 PolarHBondContact O-N 3.41Å; L13-R16 WeakPolarHBondContact O-CB 3.26Å; L13-R16 PolarHBondContact O-N 3.48Å; L13-E17 PolarHBondContact O-N 2.8Å
14N94.7Very high91.4Very high17 Ų1761.6 Ų61.69%0.09131%0.307CS..Hα-helixtrans-70.7-38.5179.3-75.7-79.5000111.8E10 Y11 R16 E17 V18 A117 I120 V121E10-N14 WeakPolarHBondContact O-CB 3.46Å; E10-N14 PolarHBondContact O-N 3.11Å; E10-N14 PolarHBondContact O-ND2 3.14Å; Y11-N14 PolarHBondContact O-N 3.36Å; N14-R16 VanDerWaalsContact C-N 3.26Å; N14-R16 PolarHBondContact O-N 3.09Å; N14-E17 WeakPolarHBondContact O-CB 3.36Å; N14-E17 PolarHBondContact O-N 3.4Å; N14-V18 WeakPolarHBondContact O-CG2 3.26Å; N14-V18 PolarHBondContact O-N 3.19Å; N14-A117 HydrophobicContact CB-CB 3.89Å; N14-A117 WeakPolarHBondContact OD1-CA 3.22Å; N14-A117 WeakPolarHBondContact OD1-CB 3.47Å; N14-I120 HydrophobicContact CB-CB 4.27Å; N14-I120 HydrophobicContact CB-CG2 4.19Å; N14-I120 WeakPolarHBondContact OD1-CD1 3.28Å; N14-V121 HydrophobicContact CB-CG2 4Å
15L94.7Very high92.3Very high0 Ų064.7 Ų64.70%030%0.304CS..Hα-helixtrans-60.4-38.7174.4-175.665.8000111.6Y11 E17 V18 L19 L46 I48 V76 W85 V121Y11-L15 HydrophobicContact CE1-CD2 4.24Å; Y11-L15 HydrophobicContact CE2-CD2 4.4Å; Y11-L15 VanDerWaalsContact O-CB 3.24Å; Y11-L15 WeakPolarHBondContact O-CB 3.45Å; Y11-L15 PolarHBondContact O-N 2.85Å; L15-E17 VanDerWaalsContact C-N 3.32Å; L15-E17 PolarHBondContact O-N 3.28Å; L15-V18 PolarHBondContact O-N 3.33Å; L15-L19 HydrophobicContact CG-CD1 4.43Å; L15-L19 WeakPolarHBondContact O-CB 3.28Å; L15-L19 WeakPolarHBondContact O-CG 3.36Å; L15-L19 PolarHBondContact O-N 3.26Å; L15-L46 HydrophobicContact CD1-CD2 4.21Å; L15-I48 HydrophobicContact CD1-CD1 4.06Å; L15-I48 HydrophobicContact CD1-CG1 4.44Å; L15-V76 HydrophobicContact CD2-CG2 3.51Å; L15-W85 HydrophobicContact CD2-CZ3 4.48Å; L15-V121 HydrophobicContact CB-CG2 4.08Å; L15-V121 HydrophobicContact CD1-CG1 4.1Å; L15-V121 HydrophobicContact CD1-CG2 4.35Å
16R93.9Very high92.9Very high91 Ų9165.6 Ų65.634%0.34331%0.314SS..Hα-helixtrans-63.2-37.6174-176.5-176.6178.7-165.73.7112L12 L13 N14 K20 W85L12-R16 WeakPolarHBondContact O-CB 3.22Å; L12-R16 PolarHBondContact O-N 3.22Å; L13-R16 WeakPolarHBondContact O-CB 3.26Å; L13-R16 PolarHBondContact O-N 3.48Å; N14-R16 VanDerWaalsContact C-N 3.26Å; N14-R16 PolarHBondContact O-N 3.09Å; R16-K20 WeakPolarHBondContact O-CG 3.34Å; R16-K20 PolarHBondContact O-N 3.41Å; R16-K20 VanDerWaalsContact O-N 3.1Å; R16-W85 HydrophobicContact CB-CD2 4.08Å; R16-W85 HydrophobicContact CB-CE3 4.26Å; R16-W85 HydrophobicContact CB-CG 4.43Å; R16-W85 HydrophobicContact CG-CB 4.43Å; R16-W85 HydrophobicContact CG-CD2 4.03Å; R16-W85 HydrophobicContact CG-CG 3.89Å
17E94.2Very high93.4Very high76 Ų7665.3 Ų65.336%0.35531%0.313SS..Hα-helixtrans-66.2-48.4175.8-169.9-178.2141.500111.7L13 N14 L15 L19 K20 C21 T115 A117L13-E17 PolarHBondContact O-N 2.8Å; N14-E17 WeakPolarHBondContact O-CB 3.36Å; N14-E17 PolarHBondContact O-N 3.4Å; L15-E17 VanDerWaalsContact C-N 3.32Å; L15-E17 PolarHBondContact O-N 3.28Å; E17-L19 VanDerWaalsContact C-N 3.27Å; E17-L19 PolarHBondContact O-N 3.46Å; E17-K20 WeakPolarHBondContact O-CB 3.49Å; E17-K20 PolarHBondContact O-N 3.03Å; E17-C21 PolarHBondContact O-N 3.39Å; E17-C21 VanDerWaalsContact O-N 3.08Å; E17-T115 PolarHBondContact OE1-OG1 3.4Å; E17-A117 HydrophobicContact CB-CB 4.1Å; E17-A117 HydrophobicContact CG-CB 4.32Å
18V94.6Very high93.6Very high1 Ų161.7 Ų61.71%0.00629%0.291CS..Hα-helixtrans-54.6-44.9175.1171.10000111.2N14 L15 K20 C21 A22 I108 Y111 A117 V121N14-V18 WeakPolarHBondContact O-CG2 3.26Å; N14-V18 PolarHBondContact O-N 3.19Å; L15-V18 PolarHBondContact O-N 3.33Å; V18-K20 PolarHBondContact O-N 3.16Å; V18-C21 PolarHBondContact O-N 2.77Å; V18-A22 PolarHBondContact O-N 3.03Å; V18-A22 VanDerWaalsContact O-N 3.08Å; V18-I108 HydrophobicContact CG1-CD1 3.99Å; V18-Y111 HydrophobicContact CG1-CD1 3.48Å; V18-Y111 VanDerWaalsContact CG1-CD1 3.48Å; V18-Y111 HydrophobicContact CG1-CE1 3.42Å; V18-Y111 VanDerWaalsContact CG1-CE1 3.42Å; V18-A117 HydrophobicContact CG2-CB 3.84Å; V18-V121 HydrophobicContact CG2-CG2 4.17Å
19L94.9Very high93.9Very high0 Ų058.3 Ų58.30%028%0.278CS..Hα-helixtrans-61.6-40.7175.7-78.7171.9000112.5L15 E17 A22 I23 L28 I48 L82 W85 V86 V106 I108L15-L19 HydrophobicContact CG-CD1 4.43Å; L15-L19 WeakPolarHBondContact O-CB 3.28Å; L15-L19 WeakPolarHBondContact O-CG 3.36Å; L15-L19 PolarHBondContact O-N 3.26Å; E17-L19 VanDerWaalsContact C-N 3.27Å; E17-L19 PolarHBondContact O-N 3.46Å; L19-A22 PolarHBondContact O-N 2.82Å; L19-I23 WeakPolarHBondContact O-CD1 3.44Å; L19-I23 WeakPolarHBondContact O-CG1 3.03Å; L19-I23 PolarHBondContact O-N 2.8Å; L19-L28 HydrophobicContact CD2-CD1 3.75Å; L19-L28 HydrophobicContact CD2-CD2 3.91Å; L19-I48 HydrophobicContact CD1-CD1 4.13Å; L19-I48 HydrophobicContact CD2-CD1 3.51Å; L19-I48 HydrophobicContact CG-CD1 4Å; L19-L82 HydrophobicContact CD1-CD1 4.15Å; L19-W85 HydrophobicContact CD1-CB 4.09Å; L19-W85 HydrophobicContact CD1-CE3 3.99Å; L19-V86 HydrophobicContact CD1-CG1 4.46Å; L19-V86 HydrophobicContact CD2-CG1 4.14Å; L19-V106 HydrophobicContact CD2-CG1 4.22Å; L19-I108 HydrophobicContact CD2-CD1 3.95Å; L19-I108 HydrophobicContact CD2-CG1 4.37Å
20K93.4Very high94Very high102 Ų10255 Ų5544%0.44326%0.258SS..Hα-helixtrans-62.8-45.3177.7-73.9171.2178.7-178.80111.9R16 E17 V18 A22 I23 I24R16-K20 WeakPolarHBondContact O-CG 3.34Å; R16-K20 PolarHBondContact O-N 3.41Å; R16-K20 VanDerWaalsContact O-N 3.1Å; E17-K20 WeakPolarHBondContact O-CB 3.49Å; E17-K20 PolarHBondContact O-N 3.03Å; V18-K20 PolarHBondContact O-N 3.16Å; K20-A22 VanDerWaalsContact C-N 3.32Å; K20-A22 PolarHBondContact O-N 2.85Å; K20-I23 PolarHBondContact O-N 2.86Å; K20-I24 WeakPolarHBondContact O-CG1 3.33Å; K20-I24 PolarHBondContact O-N 3.45Å; K20-I24 VanDerWaalsContact O-N 3.12Å
21C93.7Very high94Very high21 Ų2152.4 Ų52.414%0.14225%0.253CS..Hα-helixtrans-59.7-45.1176.4-64.90000111.3E17 V18 I23 I24 R25 Y111E17-C21 PolarHBondContact O-N 3.39Å; E17-C21 VanDerWaalsContact O-N 3.08Å; V18-C21 PolarHBondContact O-N 2.77Å; C21-I23 VanDerWaalsContact C-N 3.32Å; C21-I23 PolarHBondContact O-N 2.83Å; C21-I24 PolarHBondContact O-N 3.13Å; C21-R25 PolarHBondContact O-N 2.89Å; C21-Y111 CarbonylContact C-O 3.35Å; C21-Y111 WeakPolarHBondContact CB-O 3.33Å
22A95Very high94Very high0 Ų054.8 Ų54.80%027%0.265CS..Hα-helixtrans-63-35.4177.500000113V18 L19 K20 R25 D26 G27 L28 I108 D110 Y111V18-A22 PolarHBondContact O-N 3.03Å; V18-A22 VanDerWaalsContact O-N 3.08Å; L19-A22 PolarHBondContact O-N 2.82Å; K20-A22 VanDerWaalsContact C-N 3.32Å; K20-A22 PolarHBondContact O-N 2.85Å; A22-R25 PolarHBondContact O-N 2.99Å; A22-D26 PolarHBondContact O-N 3.29Å; A22-G27 PolarHBondContact O-N 3.44Å; A22-L28 HydrophobicContact CB-CD2 3.49Å; A22-L28 VanDerWaalsContact CB-CD2 3.49Å; A22-L28 HydrophobicContact CB-CG 3.74Å; A22-I108 HydrophobicContact CB-CG2 3.91Å; A22-D110 WeakPolarHBondContact CB-O 3.34Å; A22-Y111 PolarHBondContact N-O 3.44Å
23I93.9Very high94Very high43 Ų4360 Ų6022%0.22129%0.289CS..Hα-helixtrans-64.8-45.8175-68.3161000111.1L19 K20 C21 R25 D26 L28 W85L19-I23 WeakPolarHBondContact O-CD1 3.44Å; L19-I23 WeakPolarHBondContact O-CG1 3.03Å; L19-I23 PolarHBondContact O-N 2.8Å; K20-I23 PolarHBondContact O-N 2.86Å; C21-I23 VanDerWaalsContact C-N 3.32Å; C21-I23 PolarHBondContact O-N 2.83Å; I23-R25 PolarHBondContact O-N 2.83Å; I23-D26 PolarHBondContact O-N 3Å; I23-L28 HydrophobicContact CD1-CD1 4.03Å; I23-L28 HydrophobicContact CG1-CD1 3.32Å; I23-L28 HydrophobicContact CG1-CG 4.04Å; I23-W85 WeakPolarHBondContact CD1-O 3.4Å
24I93.2Very high94Very high144 Ų14458.5 Ų58.574%0.73828%0.279SS*.Hα-helixtrans-59.5-30.1-179-67.4164.4000110.8K20 C21K20-I24 WeakPolarHBondContact O-CG1 3.33Å; K20-I24 PolarHBondContact O-N 3.45Å; K20-I24 VanDerWaalsContact O-N 3.12Å; C21-I24 PolarHBondContact O-N 3.13Å
25R93Very high94Very high163 Ų16357.7 Ų57.762%0.61527%0.274SS*.THydrogen-bonded Turntrans-92.55179.1-167.451.3175.8-177.21.3114.6C21 A22 I23 G27 D110C21-R25 PolarHBondContact O-N 2.89Å; A22-R25 PolarHBondContact O-N 2.99Å; I23-R25 PolarHBondContact O-N 2.83Å; R25-G27 PolarHBondContact O-N 3.49Å; R25-G27 VanDerWaalsContact O-N 3.16Å; R25-D110 VanDerWaalsContact CG-OD2 3.28Å; R25-D110 WeakPolarHBondContact CG-OD2 3.46Å; R25-D110 IonicContact NE-OD2 3.92Å
26D93.2Very high94Very high141 Ų14158.5 Ų58.575%0.75428%0.281SS*.THydrogen-bonded Turntrans55.524.7-171.1-67.5-51.3000113.8A22 I23 L28A22-D26 PolarHBondContact O-N 3.29Å; I23-D26 PolarHBondContact O-N 3Å; D26-L28 VanDerWaalsContact C-N 3.31Å; D26-L28 PolarHBondContact O-N 3.39Å
27G94.6Very high94.1Very high4 Ų458.6 Ų58.64%0.04128%0.284CS..  trans-83.31.3-178.100000114.7A22 R25 K109 D110A22-G27 PolarHBondContact O-N 3.44Å; R25-G27 PolarHBondContact O-N 3.49Å; R25-G27 VanDerWaalsContact O-N 3.16Å; G27-K109 PolarHBondContact O-N 2.95Å; G27-D110 WeakPolarHBondContact CA-O 3.46Å; G27-D110 PolarHBondContact O-N 3.39Å
28L95.1Very high94.2Very high7 Ų755 Ų554%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-101.1130.7-178.9-70.2-163.6000114L19 A22 I23 D26 R30 V86 V106 I108L19-L28 HydrophobicContact CD2-CD1 3.75Å; L19-L28 HydrophobicContact CD2-CD2 3.91Å; A22-L28 HydrophobicContact CB-CD2 3.49Å; A22-L28 VanDerWaalsContact CB-CD2 3.49Å; A22-L28 HydrophobicContact CB-CG 3.74Å; I23-L28 HydrophobicContact CD1-CD1 4.03Å; I23-L28 HydrophobicContact CG1-CD1 3.32Å; I23-L28 HydrophobicContact CG1-CG 4.04Å; D26-L28 VanDerWaalsContact C-N 3.31Å; D26-L28 PolarHBondContact O-N 3.39Å; L28-R30 PolarHBondContact O-NH1 2.97Å; L28-V86 HydrophobicContact CD1-CB 4.22Å; L28-V86 HydrophobicContact CD1-CG1 3.87Å; L28-V106 HydrophobicContact CD1-CG1 4.19Å; L28-V106 HydrophobicContact CD2-CG1 4.08Å; L28-I108 HydrophobicContact CD2-CB 4.05Å; L28-I108 HydrophobicContact CD2-CD1 4.15Å; L28-I108 HydrophobicContact CD2-CG1 3.55Å; L28-I108 HydrophobicContact CD2-CG2 4.13Å
29V95.9Very high94.2Very high21 Ų2155 Ų5513%0.12727%0.267CS..EExtended strand (participates in β ladder)trans-104.1131.5166.7174.60000110E34 V106 V107 K109V29-E34 HydrophobicContact CG1-CB 3.32Å; V29-V106 CarbonylContact O-C 3.55Å; V29-V106 WeakPolarHBondContact O-CA 3.36Å; V29-V107 HydrophobicContact CB-CB 4.25Å; V29-V107 PolarHBondContact N-O 2.81Å; V29-V107 PolarHBondContact O-N 3.45Å; V29-K109 HydrophobicContact CG2-CD 3.76Å; V29-K109 VanDerWaalsContact CG2-CE 3.45Å; V29-K109 HydrophobicContact CG2-CG 4.15Å
30R93.4Very high94.1Very high93 Ų9359.3 Ų59.335%0.35129%0.29SS..EExtended strand (participates in β ladder)trans-116.9137.3-176.4-56.985.3159.8-175.7-7.2110.5L28 V86 L88L28-R30 PolarHBondContact O-NH1 2.97Å; R30-V86 HydrophobicContact CG-CB 4.39Å; R30-V86 HydrophobicContact CG-CG2 4.18Å; R30-L88 HydrophobicContact CB-CD1 4.44Å; R30-L88 HydrophobicContact CG-CD1 4.47Å
31G92.5Very high94.2Very high25 Ų2560.2 Ų60.226%0.25829%0.294SS..SBendtrans88.1160174.700000114.6H33 A35 C105G31-H33 PolarHBondContact O-N 2.92Å; G31-A35 WeakPolarHBondContact O-CB 3.33Å; G31-A35 PolarHBondContact O-N 3.41Å; G31-C105 PolarHBondContact N-O 2.75Å
32L92.4Very high94.1Very high54 Ų5467.5 Ų67.528%0.28332%0.319SS..Hα-helixtrans-60.4-47.5-168.8-170.863.1000114.3A35 A36 Y58 L61 V62L32-A35 PolarHBondContact O-N 3.16Å; L32-A36 VanDerWaalsContact O-CB 3.26Å; L32-A36 WeakPolarHBondContact O-CB 3.19Å; L32-A36 PolarHBondContact O-N 2.92Å; L32-Y58 HydrophobicContact CB-CD2 4.23Å; L32-Y58 HydrophobicContact CB-CE2 3.48Å; L32-Y58 VanDerWaalsContact CB-CE2 3.48Å; L32-Y58 HydrophobicContact CD1-CD1 3.93Å; L32-Y58 HydrophobicContact CD1-CD2 4.02Å; L32-Y58 HydrophobicContact CD1-CE1 3.72Å; L32-Y58 HydrophobicContact CD1-CE2 3.85Å; L32-Y58 HydrophobicContact CD1-CG 4.03Å; L32-Y58 HydrophobicContact CD2-CD2 3.7Å; L32-Y58 HydrophobicContact CD2-CE2 3.85Å; L32-Y58 HydrophobicContact CD2-CG 4.27Å; L32-Y58 HydrophobicContact CG-CD2 4.2Å; L32-Y58 HydrophobicContact CG-CE2 3.91Å; L32-Y58 PolarHBondContact N-OH 3.47Å; L32-L61 HydrophobicContact CD1-CD2 4.15Å; L32-V62 HydrophobicContact CD1-CG2 3.68Å
33H93.7Very high94Very high141 Ų14171.4 Ų71.465%0.65334%0.337SS*.Hα-helixtrans-63.8-52.4-170.2-174.974.9000111.4G31 K37G31-H33 PolarHBondContact O-N 2.92Å; H33-K37 WeakPolarHBondContact O-CB 3.15Å; H33-K37 PolarHBondContact O-N 3.38Å; H33-K37 VanDerWaalsContact O-N 3.14Å
34E94.4Very high94Very high84 Ų8469.9 Ų69.939%0.39333%0.331SS..Hα-helixtrans-71.7-32.7178.4-63.4-59.7149.100111.7V29 K37 A38V29-E34 HydrophobicContact CG1-CB 3.32Å; E34-K37 PolarHBondContact O-N 3.48Å; E34-K37 IonicContact OE2-NZ 2.73Å; E34-A38 WeakPolarHBondContact O-CB 3.36Å; E34-A38 PolarHBondContact O-N 2.86Å
35A95Very high94Very high0 Ų066.7 Ų66.70%032%0.315CS..Hα-helixtrans-62.5-49.5173.600000111.5G31 L32 K37 A38 L39 V107G31-A35 WeakPolarHBondContact O-CB 3.33Å; G31-A35 PolarHBondContact O-N 3.41Å; L32-A35 PolarHBondContact O-N 3.16Å; A35-K37 VanDerWaalsContact C-N 3.3Å; A35-K37 PolarHBondContact O-N 3Å; A35-A38 WeakPolarHBondContact O-CB 3.36Å; A35-A38 PolarHBondContact O-N 3.01Å; A35-A38 VanDerWaalsContact O-N 3.11Å; A35-L39 WeakPolarHBondContact O-CG 3.37Å; A35-L39 PolarHBondContact O-N 2.91Å; A35-V107 HydrophobicContact CB-CB 4.45Å; A35-V107 HydrophobicContact CB-CG2 3.64Å
36A94.7Very high94.1Very high17 Ų1759 Ų5914%0.1429%0.286CS..Hα-helixtrans-57.4-44.8177.300000111.3L32 A38 L39 D40 L61 L65L32-A36 VanDerWaalsContact O-CB 3.26Å; L32-A36 WeakPolarHBondContact O-CB 3.19Å; L32-A36 PolarHBondContact O-N 2.92Å; A36-A38 VanDerWaalsContact C-N 3.35Å; A36-A38 PolarHBondContact O-N 3.36Å; A36-L39 PolarHBondContact O-N 3.26Å; A36-D40 WeakPolarHBondContact O-CB 3.44Å; A36-D40 PolarHBondContact O-N 3.31Å; A36-L61 HydrophobicContact CB-CD2 4.09Å; A36-L65 HydrophobicContact CB-CD1 3.83Å
37K95.8Very high94.2Very high93 Ų9352.2 Ų52.240%0.40425%0.25SC..Hα-helixtrans-61.7-39.4175.7-172.9179.3-179.1-176.90113H33 E34 A35 K41H33-K37 WeakPolarHBondContact O-CB 3.15Å; H33-K37 PolarHBondContact O-N 3.38Å; H33-K37 VanDerWaalsContact O-N 3.14Å; E34-K37 PolarHBondContact O-N 3.48Å; E34-K37 IonicContact OE2-NZ 2.73Å; A35-K37 VanDerWaalsContact C-N 3.3Å; A35-K37 PolarHBondContact O-N 3Å; K37-K41 WeakPolarHBondContact O-CB 3.17Å; K37-K41 VanDerWaalsContact O-CG 3.27Å; K37-K41 WeakPolarHBondContact O-CG 3.45Å; K37-K41 PolarHBondContact O-N 3.37Å; K37-K41 VanDerWaalsContact O-N 3.14Å
38A95.4Very high94.3Very high1 Ų152 Ų521%0.00825%0.248CC..Hα-helixtrans-67.9-39.6176.300000112.2E34 A35 A36 R42 E43 V107E34-A38 WeakPolarHBondContact O-CB 3.36Å; E34-A38 PolarHBondContact O-N 2.86Å; A35-A38 WeakPolarHBondContact O-CB 3.36Å; A35-A38 PolarHBondContact O-N 3.01Å; A35-A38 VanDerWaalsContact O-N 3.11Å; A36-A38 VanDerWaalsContact C-N 3.35Å; A36-A38 PolarHBondContact O-N 3.36Å; A38-R42 PolarHBondContact O-N 3.47Å; A38-E43 PolarHBondContact O-N 3.34Å; A38-V107 HydrophobicContact CB-CG1 3.93Å
39L95Very high94.3Very high0 Ų051.9 Ų51.90%025%0.247CC..Hα-helixtrans-65.5-47.9176-66169.1000110.8A35 A36 K41 R42 A44 C47 V62 L65 H69 I71 V107A35-L39 WeakPolarHBondContact O-CG 3.37Å; A35-L39 PolarHBondContact O-N 2.91Å; A36-L39 PolarHBondContact O-N 3.26Å; L39-K41 VanDerWaalsContact C-N 3.31Å; L39-K41 PolarHBondContact O-N 3.24Å; L39-R42 PolarHBondContact O-N 3.37Å; L39-A44 HydrophobicContact CD2-CB 3.81Å; L39-C47 HydrophobicContact CD2-CB 4.06Å; L39-V62 HydrophobicContact CD1-CG1 4.42Å; L39-L65 HydrophobicContact CB-CB 4.02Å; L39-L65 HydrophobicContact CB-CD1 4.1Å; L39-L65 HydrophobicContact CD1-CB 3.86Å; L39-L65 HydrophobicContact CD1-CD1 3.98Å; L39-H69 PolarHBondContact O-CD2 2.96Å; L39-H69 VanDerWaalsContact O-CD2 3.28Å; L39-I71 HydrophobicContact CB-CD1 4.23Å; L39-I71 HydrophobicContact CD2-CB 4.36Å; L39-I71 HydrophobicContact CD2-CD1 3.55Å; L39-I71 HydrophobicContact CD2-CG2 4.01Å; L39-V107 HydrophobicContact CD2-CG2 4.21Å; L39-V107 HydrophobicContact CG-CG2 4.18Å
40D93.7Very high94.3Very high92 Ų9251 Ų5149%0.49224%0.242SC..Hα-helixtrans-59.4-40.7178.3-78.9-30.4000112.3A36 R42 L65 H69A36-D40 WeakPolarHBondContact O-CB 3.44Å; A36-D40 PolarHBondContact O-N 3.31Å; D40-R42 PolarHBondContact O-N 3.08Å; D40-L65 VanDerWaalsContact OD1-CD2 3.22Å; D40-L65 WeakPolarHBondContact OD1-CD2 3.19Å; D40-H69 IonicContact OD1-NE2 3.21Å
41K94.4Very high94.3Very high121 Ų12151.1 Ų51.153%0.52625%0.246SC..THydrogen-bonded Turntrans-75.2-5177.2-70.8-176.1177.7-167.80113.9K37 L39 E43K37-K41 WeakPolarHBondContact O-CB 3.17Å; K37-K41 VanDerWaalsContact O-CG 3.27Å; K37-K41 WeakPolarHBondContact O-CG 3.45Å; K37-K41 PolarHBondContact O-N 3.37Å; K37-K41 VanDerWaalsContact O-N 3.14Å; L39-K41 VanDerWaalsContact C-N 3.31Å; L39-K41 PolarHBondContact O-N 3.24Å; K41-E43 HydrophobicContact CB-CB 4.5Å; K41-E43 HydrophobicContact CB-CG 3.85Å; K41-E43 VanDerWaalsContact CD-OE1 3.27Å; K41-E43 WeakPolarHBondContact CD-OE1 3.2Å; K41-E43 IonicContact NZ-OE1 2.74Å; K41-E43 PolarHBondContact O-N 3.12Å
42R91.2Very high94.4Very high173 Ų17352.9 Ų52.965%0.65325%0.25SC*.THydrogen-bonded Turntrans57.129.4-174.1-51.4172.5-179.4-112.40.6112.9A38 L39 D40 A44 H69A38-R42 PolarHBondContact O-N 3.47Å; L39-R42 PolarHBondContact O-N 3.37Å; D40-R42 PolarHBondContact O-N 3.08Å; R42-A44 VanDerWaalsContact C-N 3.3Å; R42-H69 HydrophobicContact CG-CB 4.45Å
43E92.8Very high94.4Very high82 Ų8251.2 Ų51.238%0.38324%0.242SC..  trans-86.6-5.6176-70.3173.6-173.700111.9A38 K41 K109A38-E43 PolarHBondContact O-N 3.34Å; K41-E43 HydrophobicContact CB-CB 4.5Å; K41-E43 HydrophobicContact CB-CG 3.85Å; K41-E43 VanDerWaalsContact CD-OE1 3.27Å; K41-E43 WeakPolarHBondContact CD-OE1 3.2Å; K41-E43 IonicContact NZ-OE1 2.74Å; K41-E43 PolarHBondContact O-N 3.12Å; E43-K109 HydrophobicContact CB-CD 4.34Å; E43-K109 WeakPolarHBondContact OE2-CE 3.23Å; E43-K109 IonicContact OE2-NZ 3.78Å; E43-K109 PolarHBondContact OE2-NZ 3.37Å
44A95Very high94.3Very high11 Ų1150.7 Ų50.79%0.09125%0.245CC..  trans-89.3128.8-175.800000112.2L39 R42 I71 V107L39-A44 HydrophobicContact CD2-CB 3.81Å; R42-A44 VanDerWaalsContact C-N 3.3Å; A44-I71 HydrophobicContact CB-CD1 4.05Å; A44-I71 HydrophobicContact CB-CG2 4.01Å; A44-V107 HydrophobicContact CB-CG1 3.35Å
45L93.8Very high94.2Very high78 Ų7851.9 Ų51.941%0.40825%0.25SC..SBendtrans-88.9-35.3173.2-58.8178.1000112.2I108 K109 Y111L45-I108 PolarHBondContact N-O 3.02Å; L45-K109 VanDerWaalsContact CD1-O 3.28Å; L45-K109 WeakPolarHBondContact CD1-O 3.47Å; L45-Y111 HydrophobicContact CB-CD2 4.48Å; L45-Y111 HydrophobicContact CB-CE2 3.77Å; L45-Y111 HydrophobicContact CD1-CD2 3.61Å; L45-Y111 HydrophobicContact CD1-CE2 3.73Å; L45-Y111 HydrophobicContact CG-CE2 4.39Å
46L94.3Very high94.1Very high0 Ų056.1 Ų56.10%028%0.277CS..EExtended strand (participates in β ladder)trans-150.7135.1178.1-179.371.4000109.7L15 I48 R72 A74 I108 Y111 L125L15-L46 HydrophobicContact CD1-CD2 4.21Å; L46-I48 HydrophobicContact CD2-CD1 4.35Å; L46-I48 HydrophobicContact CD2-CG1 4.16Å; L46-I48 HydrophobicContact CG-CG1 4.31Å; L46-R72 HydrophobicContact CD1-CB 3.76Å; L46-A74 HydrophobicContact CD1-CB 3.96Å; L46-A74 HydrophobicContact CD2-CB 4.2Å; L46-A74 HydrophobicContact CG-CB 4.25Å; L46-I108 HydrophobicContact CB-CB 4.34Å; L46-I108 HydrophobicContact CB-CG1 4.38Å; L46-I108 HydrophobicContact CD2-CD1 4.04Å; L46-I108 PolarHBondContact N-O 3.01Å; L46-I108 PolarHBondContact O-N 3.19Å; L46-Y111 VanDerWaalsContact CB-OH 3.23Å; L46-Y111 WeakPolarHBondContact CB-OH 3.44Å; L46-L125 HydrophobicContact CD1-CD1 3.68Å
47C95.5Very high94Very high0 Ų062.6 Ų62.60%031%0.307CS..EExtended strand (participates in β ladder)trans-104.2138.2169-170.50000109.4L39 V62 C66 I71 R72 L73 A74 V107L39-C47 HydrophobicContact CD2-CB 4.06Å; C47-V62 WeakPolarHBondContact SG-CG1 3.47Å; C47-C66 WeakPolarHBondContact CB-SG 3.29Å; C47-I71 HydrophobicContact CB-CG2 4.45Å; C47-R72 PolarHBondContact N-O 3.08Å; C47-L73 HydrophobicContact CB-CD1 3.98Å; C47-L73 CarbonylContact O-C 3.55Å; C47-L73 WeakPolarHBondContact O-CA 3.27Å; C47-A74 PolarHBondContact O-N 3.07Å; C47-V107 HydrophobicContact CB-CG2 4.31Å
48I95.6Very high93.9Very high0 Ų059.2 Ų59.20%029%0.291CS..EExtended strand (participates in β ladder)trans-119.6126.5177.3-61158.3000108.1L15 L19 L46 A74 V76 L82 C105 V106 I108L15-I48 HydrophobicContact CD1-CD1 4.06Å; L15-I48 HydrophobicContact CD1-CG1 4.44Å; L19-I48 HydrophobicContact CD1-CD1 4.13Å; L19-I48 HydrophobicContact CD2-CD1 3.51Å; L19-I48 HydrophobicContact CG-CD1 4Å; L46-I48 HydrophobicContact CD2-CD1 4.35Å; L46-I48 HydrophobicContact CD2-CG1 4.16Å; L46-I48 HydrophobicContact CG-CG1 4.31Å; I48-A74 CarbonylContact C-O 3.58Å; I48-A74 WeakPolarHBondContact CA-O 3.48Å; I48-A74 HydrophobicContact CB-CB 4.47Å; I48-A74 HydrophobicContact CG1-CB 3.81Å; I48-V76 HydrophobicContact CG2-CB 4.38Å; I48-V76 HydrophobicContact CG2-CG2 3.57Å; I48-L82 HydrophobicContact CG2-CD1 3.8Å; I48-L82 HydrophobicContact CG2-CD2 3.98Å; I48-C105 VanDerWaalsContact O-CA 3.25Å; I48-C105 WeakPolarHBondContact O-CA 3.4Å; I48-V106 HydrophobicContact CB-CB 4.43Å; I48-V106 PolarHBondContact N-O 3.2Å; I48-V106 PolarHBondContact O-N 3.17Å; I48-I108 HydrophobicContact CD1-CD1 3.99Å; I48-I108 HydrophobicContact CD1-CG1 4.19Å
49L95.2Very high93.9Very high4 Ų460.5 Ų60.52%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-121.3137179.8-175.470.9000110.6Y58 V59 V62 E63 L73 A74 R75 V76 C105L49-Y58 HydrophobicContact CD1-CD1 4.23Å; L49-Y58 HydrophobicContact CD1-CE1 4.13Å; L49-V59 HydrophobicContact CD2-CB 4.38Å; L49-V59 HydrophobicContact CD2-CG1 3.95Å; L49-V59 HydrophobicContact CD2-CG2 4.3Å; L49-V62 HydrophobicContact CD1-CB 4.37Å; L49-V62 HydrophobicContact CD1-CG1 4.31Å; L49-E63 HydrophobicContact CD2-CG 4.29Å; L49-L73 HydrophobicContact CB-CD1 3.94Å; L49-A74 PolarHBondContact N-O 3.4Å; L49-R75 WeakPolarHBondContact O-CA 3.37Å; L49-V76 PolarHBondContact O-N 3.36Å; L49-C105 HydrophobicContact CD1-CB 4.24Å
50A95.7Very high93.9Very high1 Ų167.3 Ų67.31%0.00833%0.329CS..EExtended strand (participates in β ladder)trans-78.2130.8172.800000111.4D52 C53 V76 K79 S104A50-D52 VanDerWaalsContact C-N 3.32Å; A50-D52 PolarHBondContact O-N 3.24Å; A50-C53 WeakPolarHBondContact O-CB 3.25Å; A50-C53 PolarHBondContact O-N 3.35Å; A50-V76 CarbonylContact C-O 3.51Å; A50-V76 VanDerWaalsContact CA-O 3.31Å; A50-V76 WeakPolarHBondContact CA-O 3.34Å; A50-K79 HydrophobicContact CB-CB 3.69Å; A50-S104 PolarHBondContact N-O 3.46Å
51E93.8Very high94Very high97 Ų9766.5 Ų66.545%0.45332%0.324SS..THydrogen-bonded Turntrans-68.4-29.4179.4-65.8177.7168.500112.3K8 C53 R75 V76K8-E51 IonicContact NZ-OE2 3.63Å; E51-C53 PolarHBondContact O-N 3.46Å; E51-R75 HydrophobicContact CG-CB 3.95Å; E51-R75 WeakPolarHBondContact OE1-CB 3.48Å; E51-V76 PolarHBondContact N-O 2.96Å
52D95.2Very high94Very high62 Ų6260.7 Ų60.733%0.33230%0.299SS..THydrogen-bonded Turntrans-8820.6177.274.9-24.2000113.7A50 D54 K78 K79A50-D52 VanDerWaalsContact C-N 3.32Å; A50-D52 PolarHBondContact O-N 3.24Å; D52-D54 PolarHBondContact O-N 2.9Å; D52-K78 WeakPolarHBondContact OD1-CA 3.33Å; D52-K79 PolarHBondContact O-NZ 3.35Å; D52-K79 VanDerWaalsContact O-NZ 3.07Å; D52-K79 WeakPolarHBondContact OD1-CB 3.3Å; D52-K79 WeakPolarHBondContact OD1-CG 3.36Å; D52-K79 PolarHBondContact OD1-N 2.85Å; D52-K79 PolarHBondContact OD2-N 3.18Å
53C91.8Very high94.1Very high18 Ų1854.9 Ų54.912%0.12228%0.279CS..  trans-66.5116.5168.7-172.10000109.3A50 E51 E55 V59A50-C53 WeakPolarHBondContact O-CB 3.25Å; A50-C53 PolarHBondContact O-N 3.35Å; E51-C53 PolarHBondContact O-N 3.46Å; C53-E55 VanDerWaalsContact C-N 3.29Å; C53-E55 PolarHBondContact O-N 2.77Å; C53-V59 HydrophobicContact CB-CG2 3.73Å
54D91.3Very high94.3Very high131 Ų13153.8 Ų53.870%0.70128%0.284SS*.  trans-86.32-17544.6-12.6000113.3D52 P56 K79D52-D54 PolarHBondContact O-N 2.9Å; D54-P56 WeakPolarHBondContact O-CD 3.33Å; D54-K79 IonicContact OD1-NZ 3.52Å; D54-K79 PolarHBondContact OD1-NZ 3.07Å; D54-K79 IonicContact OD2-NZ 2.67Å; D54-K79 PolarHBondContact OD2-NZ 3.25Å
55E92.1Very high94.3Very high108 Ų10854.6 Ų54.651%0.50529%0.287SS..  trans-111.598.1-179.5-170168.1-162.300110.3C53 M57 Y58 V59C53-E55 VanDerWaalsContact C-N 3.29Å; C53-E55 PolarHBondContact O-N 2.77Å; E55-M57 PolarHBondContact O-N 2.96Å; E55-Y58 WeakPolarHBondContact O-CB 3.39Å; E55-Y58 PolarHBondContact O-N 3.1Å; E55-V59 PolarHBondContact O-N 3.38Å
56P92.9Very high94.3Very high89 Ų8951 Ų5158%0.57827%0.268SS*.Hα-helixtrans-59.3-31.7-176.2-27.734.5000114.3D54 Y58 K60D54-P56 WeakPolarHBondContact O-CD 3.33Å; P56-Y58 VanDerWaalsContact C-N 3.33Å; P56-K60 WeakPolarHBondContact O-CB 3.31Å; P56-K60 VanDerWaalsContact O-CG 3.24Å; P56-K60 WeakPolarHBondContact O-CG 3.41Å; P56-K60 PolarHBondContact O-N 2.97Å
57M94.4Very high94.2Very high153 Ų15356.6 Ų56.675%0.75430%0.302SS*.Hα-helixtrans-66-37.7176-75.5-179.353.700111.8E55 L61E55-M57 PolarHBondContact O-N 2.96Å; M57-L61 WeakPolarHBondContact O-CB 3.46Å; M57-L61 PolarHBondContact O-N 2.75Å
58Y93.5Very high94.1Very high22 Ų2260.9 Ų60.99%0.08633%0.333CS..Hα-helixtrans-61-52.3176.4-168.6-64.2000110.4L32 L49 E55 P56 L61 V62 C105L32-Y58 HydrophobicContact CB-CD2 4.23Å; L32-Y58 HydrophobicContact CB-CE2 3.48Å; L32-Y58 VanDerWaalsContact CB-CE2 3.48Å; L32-Y58 HydrophobicContact CD1-CD1 3.93Å; L32-Y58 HydrophobicContact CD1-CD2 4.02Å; L32-Y58 HydrophobicContact CD1-CE1 3.72Å; L32-Y58 HydrophobicContact CD1-CE2 3.85Å; L32-Y58 HydrophobicContact CD1-CG 4.03Å; L32-Y58 HydrophobicContact CD2-CD2 3.7Å; L32-Y58 HydrophobicContact CD2-CE2 3.85Å; L32-Y58 HydrophobicContact CD2-CG 4.27Å; L32-Y58 HydrophobicContact CG-CD2 4.2Å; L32-Y58 HydrophobicContact CG-CE2 3.91Å; L32-Y58 PolarHBondContact N-OH 3.47Å; L49-Y58 HydrophobicContact CD1-CD1 4.23Å; L49-Y58 HydrophobicContact CD1-CE1 4.13Å; E55-Y58 WeakPolarHBondContact O-CB 3.39Å; E55-Y58 PolarHBondContact O-N 3.1Å; P56-Y58 VanDerWaalsContact C-N 3.33Å; Y58-L61 PolarHBondContact O-N 2.87Å; Y58-V62 HydrophobicContact CD1-CG2 4.19Å; Y58-V62 HydrophobicContact CE1-CG2 4.06Å; Y58-V62 WeakPolarHBondContact O-CG2 3.44Å; Y58-V62 PolarHBondContact O-N 2.88Å; Y58-V62 VanDerWaalsContact O-N 3.16Å; Y58-C105 HydrophobicContact CE1-CB 3.6Å; Y58-C105 WeakPolarHBondContact OH-CB 3.34Å; Y58-C105 PolarHBondContact OH-N 2.9Å
59V94.6Very high94Very high29 Ų2962.8 Ų62.818%0.17634%0.341CS..Hα-helixtrans-59.1-50.5179.6170.70000110.7L49 C53 E55 L61 V62 E63L49-V59 HydrophobicContact CD2-CB 4.38Å; L49-V59 HydrophobicContact CD2-CG1 3.95Å; L49-V59 HydrophobicContact CD2-CG2 4.3Å; C53-V59 HydrophobicContact CB-CG2 3.73Å; E55-V59 PolarHBondContact O-N 3.38Å; V59-L61 VanDerWaalsContact C-N 3.34Å; V59-L61 PolarHBondContact O-N 2.75Å; V59-V62 PolarHBondContact O-N 3Å; V59-E63 HydrophobicContact CG1-CG 4.25Å; V59-E63 WeakPolarHBondContact O-CB 3.24Å; V59-E63 WeakPolarHBondContact O-CG 3.4Å; V59-E63 PolarHBondContact O-N 3.18Å
60K95.4Very high93.8Very high142 Ų14265.8 Ų65.862%0.61737%0.373SS*.Hα-helixtrans-59.4-41.8-179.8-76.2177.1-179.9-176.50112.9P56 A64P56-K60 WeakPolarHBondContact O-CB 3.31Å; P56-K60 VanDerWaalsContact O-CG 3.24Å; P56-K60 WeakPolarHBondContact O-CG 3.41Å; P56-K60 PolarHBondContact O-N 2.97Å; K60-A64 WeakPolarHBondContact O-CB 3.43Å; K60-A64 PolarHBondContact O-N 3.19Å
61L94.9Very high93.7Very high75 Ų7566.7 Ų66.739%0.39338%0.378SS..Hα-helixtrans-63.1-50179.6-175.6155.5000110.6L32 A36 M57 Y58 V59 A64 L65L32-L61 HydrophobicContact CD1-CD2 4.15Å; A36-L61 HydrophobicContact CB-CD2 4.09Å; M57-L61 WeakPolarHBondContact O-CB 3.46Å; M57-L61 PolarHBondContact O-N 2.75Å; Y58-L61 PolarHBondContact O-N 2.87Å; V59-L61 VanDerWaalsContact C-N 3.34Å; V59-L61 PolarHBondContact O-N 2.75Å; L61-A64 PolarHBondContact O-N 3Å; L61-L65 HydrophobicContact CD2-CD1 3.51Å; L61-L65 HydrophobicContact CD2-CG 4.19Å; L61-L65 HydrophobicContact CG-CD1 4.48Å; L61-L65 WeakPolarHBondContact O-CG 3.39Å; L61-L65 PolarHBondContact O-N 3.31Å
62V94.6Very high93.5Very high0 Ų067.2 Ų67.20%038%0.376CS..Hα-helixtrans-63.8-45.3-179.21750000111L32 L39 C47 L49 Y58 V59 A64 L65 C66 L73 C105L32-V62 HydrophobicContact CD1-CG2 3.68Å; L39-V62 HydrophobicContact CD1-CG1 4.42Å; C47-V62 WeakPolarHBondContact SG-CG1 3.47Å; L49-V62 HydrophobicContact CD1-CB 4.37Å; L49-V62 HydrophobicContact CD1-CG1 4.31Å; Y58-V62 HydrophobicContact CD1-CG2 4.19Å; Y58-V62 HydrophobicContact CE1-CG2 4.06Å; Y58-V62 WeakPolarHBondContact O-CG2 3.44Å; Y58-V62 PolarHBondContact O-N 2.88Å; Y58-V62 VanDerWaalsContact O-N 3.16Å; V59-V62 PolarHBondContact O-N 3Å; V62-A64 PolarHBondContact O-N 3.25Å; V62-L65 PolarHBondContact O-N 2.95Å; V62-C66 WeakPolarHBondContact O-CB 3.33Å; V62-C66 PolarHBondContact O-N 3.48Å; V62-C66 PolarHBondContact O-SG 2.99Å; V62-L73 HydrophobicContact CG1-CD1 4.31Å; V62-C105 HydrophobicContact CG2-CB 4.43Å
63E94.2Very high93.4Very high51 Ų5166.4 Ų66.424%0.23837%0.371CS..Hα-helixtrans-61.3-43177-73.6179.8161.700112L49 V59 C66 T67 L73 R75L49-E63 HydrophobicContact CD2-CG 4.29Å; V59-E63 HydrophobicContact CG1-CG 4.25Å; V59-E63 WeakPolarHBondContact O-CB 3.24Å; V59-E63 WeakPolarHBondContact O-CG 3.4Å; V59-E63 PolarHBondContact O-N 3.18Å; E63-C66 PolarHBondContact O-N 2.98Å; E63-T67 WeakPolarHBondContact O-CB 3.33Å; E63-T67 PolarHBondContact O-N 3.09Å; E63-T67 PolarHBondContact O-OG1 3.47Å; E63-L73 HydrophobicContact CG-CD2 3.78Å; E63-R75 IonicContact OE1-CZ 3.97Å; E63-R75 IonicContact OE1-NH1 3.67Å; E63-R75 IonicContact OE1-NH2 3.79Å; E63-R75 PolarHBondContact OE1-NH2 2.97Å
64A95.4Very high93.5Very high59 Ų5965.5 Ų65.549%0.48837%0.365SS..Hα-helixtrans-64.3-43.617800000112.2K60 L61 V62 T67 S68K60-A64 WeakPolarHBondContact O-CB 3.43Å; K60-A64 PolarHBondContact O-N 3.19Å; L61-A64 PolarHBondContact O-N 3Å; V62-A64 PolarHBondContact O-N 3.25Å; A64-T67 PolarHBondContact O-N 3.38Å; A64-S68 VanDerWaalsContact O-CB 3.26Å; A64-S68 WeakPolarHBondContact O-CB 3.5Å; A64-S68 PolarHBondContact O-N 2.96Å
65L95Very high93.6Very high27 Ų2764.6 Ų64.614%0.14135%0.352CS..Hα-helixtrans-64.1-44.2176.5-72.5-178.7000111.7A36 L39 D40 L61 V62 T67 S68 H69A36-L65 HydrophobicContact CB-CD1 3.83Å; L39-L65 HydrophobicContact CB-CB 4.02Å; L39-L65 HydrophobicContact CB-CD1 4.1Å; L39-L65 HydrophobicContact CD1-CB 3.86Å; L39-L65 HydrophobicContact CD1-CD1 3.98Å; D40-L65 VanDerWaalsContact OD1-CD2 3.22Å; D40-L65 WeakPolarHBondContact OD1-CD2 3.19Å; L61-L65 HydrophobicContact CD2-CD1 3.51Å; L61-L65 HydrophobicContact CD2-CG 4.19Å; L61-L65 HydrophobicContact CG-CD1 4.48Å; L61-L65 WeakPolarHBondContact O-CG 3.39Å; L61-L65 PolarHBondContact O-N 3.31Å; V62-L65 PolarHBondContact O-N 2.95Å; L65-T67 VanDerWaalsContact C-N 3.34Å; L65-T67 PolarHBondContact O-N 3.33Å; L65-S68 PolarHBondContact O-N 3.34Å; L65-H69 PolarHBondContact O-CD2 3.45Å; L65-H69 PolarHBondContact O-N 3.45Å; L65-H69 VanDerWaalsContact O-N 3.09Å
66C94.1Very high93.7Very high3 Ų359.4 Ų59.42%0.0233%0.328CS..Hα-helixtrans-61.3-44.6176.9-66.30000111.3C47 V62 E63 G70 I71 L73C47-C66 WeakPolarHBondContact CB-SG 3.29Å; V62-C66 WeakPolarHBondContact O-CB 3.33Å; V62-C66 PolarHBondContact O-N 3.48Å; V62-C66 PolarHBondContact O-SG 2.99Å; E63-C66 PolarHBondContact O-N 2.98Å; C66-G70 PolarHBondContact O-N 2.96Å; C66-I71 PolarHBondContact O-N 3.37Å; C66-L73 HydrophobicContact CB-CB 4.35Å
67T93.5Very high93.7Very high117 Ų11756.7 Ų56.772%0.71831%0.31SS*.Hα-helixtrans-66-42.8178.8-53.80000112E63 A64 L65 H69 G70E63-T67 WeakPolarHBondContact O-CB 3.33Å; E63-T67 PolarHBondContact O-N 3.09Å; E63-T67 PolarHBondContact O-OG1 3.47Å; A64-T67 PolarHBondContact O-N 3.38Å; L65-T67 VanDerWaalsContact C-N 3.34Å; L65-T67 PolarHBondContact O-N 3.33Å; T67-H69 PolarHBondContact O-N 3.1Å; T67-G70 PolarHBondContact O-N 3.48Å
68S93.4Very high93.8Very high91 Ų9154.5 Ų54.564%0.63630%0.296SS*.Hα-helixtrans-67.2-36-177.8-174.60000113.1A64 L65A64-S68 VanDerWaalsContact O-CB 3.26Å; A64-S68 WeakPolarHBondContact O-CB 3.5Å; A64-S68 PolarHBondContact O-N 2.96Å; L65-S68 PolarHBondContact O-N 3.34Å
69H92.5Very high93.8Very high40 Ų4054.4 Ų54.419%0.18530%0.296CS..Hα-helixtrans-96.6-3.4-178.9-63.5-57.2000114L39 D40 R42 L65 T67 I71L39-H69 PolarHBondContact O-CD2 2.96Å; L39-H69 VanDerWaalsContact O-CD2 3.28Å; D40-H69 IonicContact OD1-NE2 3.21Å; R42-H69 HydrophobicContact CG-CB 4.45Å; L65-H69 PolarHBondContact O-CD2 3.45Å; L65-H69 PolarHBondContact O-N 3.45Å; L65-H69 VanDerWaalsContact O-N 3.09Å; T67-H69 PolarHBondContact O-N 3.1Å; H69-I71 VanDerWaalsContact C-N 3.32Å; H69-I71 HydrophobicContact CB-CD1 3.52Å; H69-I71 HydrophobicContact CB-CG1 3.89Å
70G91.2Very high93.8Very high67 Ų6756.6 Ų56.669%0.69131%0.307SS*.THydrogen-bonded Turntrans69.529.1-177.800000113.2C66 T67C66-G70 PolarHBondContact O-N 2.96Å; T67-G70 PolarHBondContact O-N 3.48Å
71I92.8Very high93.8Very high20 Ų2052.3 Ų52.310%0.10329%0.289CS..  trans-88.3133.9-179.7-60.2157.7000108.2L39 A44 C47 C66 H69L39-I71 HydrophobicContact CB-CD1 4.23Å; L39-I71 HydrophobicContact CD2-CB 4.36Å; L39-I71 HydrophobicContact CD2-CD1 3.55Å; L39-I71 HydrophobicContact CD2-CG2 4.01Å; A44-I71 HydrophobicContact CB-CD1 4.05Å; A44-I71 HydrophobicContact CB-CG2 4.01Å; C47-I71 HydrophobicContact CB-CG2 4.45Å; C66-I71 PolarHBondContact O-N 3.37Å; H69-I71 VanDerWaalsContact C-N 3.32Å; H69-I71 HydrophobicContact CB-CD1 3.52Å; H69-I71 HydrophobicContact CB-CG1 3.89Å
72R91.3Very high93.8Very high107 Ų10748.7 Ų48.740%0.40427%0.27SS..EExtended strand (participates in β ladder)trans-65.5138.1179.5-68.1177.9-68.8178.92.1110.6L46 C47 N122L46-R72 HydrophobicContact CD1-CB 3.76Å; C47-R72 PolarHBondContact N-O 3.08Å; R72-N122 PolarHBondContact NH1-OD1 3.44Å
73L93.2Very high93.8Very high45 Ų4548.7 Ų48.724%0.23627%0.27CS..EExtended strand (participates in β ladder)trans-115.4113.5179.8-177.867000110.5C47 L49 V62 E63 C66C47-L73 HydrophobicContact CB-CD1 3.98Å; C47-L73 CarbonylContact O-C 3.55Å; C47-L73 WeakPolarHBondContact O-CA 3.27Å; L49-L73 HydrophobicContact CB-CD1 3.94Å; V62-L73 HydrophobicContact CG1-CD1 4.31Å; E63-L73 HydrophobicContact CG-CD2 3.78Å; C66-L73 HydrophobicContact CB-CB 4.35Å
74A93.7Very high93.8Very high0 Ų049.2 Ų49.20%027%0.272CS..EExtended strand (participates in β ladder)trans-91.9144.8170.600000110.8Y11 L46 C47 I48 L49 L125Y11-A74 WeakPolarHBondContact OH-CB 3.46Å; L46-A74 HydrophobicContact CD1-CB 3.96Å; L46-A74 HydrophobicContact CD2-CB 4.2Å; L46-A74 HydrophobicContact CG-CB 4.25Å; C47-A74 PolarHBondContact O-N 3.07Å; I48-A74 CarbonylContact C-O 3.58Å; I48-A74 WeakPolarHBondContact CA-O 3.48Å; I48-A74 HydrophobicContact CB-CB 4.47Å; I48-A74 HydrophobicContact CG1-CB 3.81Å; L49-A74 PolarHBondContact N-O 3.4Å; A74-L125 HydrophobicContact CB-CD1 4.44Å; A74-L125 HydrophobicContact CB-CD2 3.89Å
75R93Very high93.8Very high111 Ų11148 Ų4842%0.41926%0.255SS..EExtended strand (participates in β ladder)trans-114.5140.9176.5-63.9-174.7-175.9-129.4-6.8111Y11 L49 E51 E63Y11-R75 WeakPolarHBondContact CE1-O 3.5Å; Y11-R75 PolarHBondContact OH-N 2.83Å; Y11-R75 PolarHBondContact OH-O 3.38Å; L49-R75 WeakPolarHBondContact O-CA 3.37Å; E51-R75 HydrophobicContact CG-CB 3.95Å; E51-R75 WeakPolarHBondContact OE1-CB 3.48Å; E63-R75 IonicContact OE1-CZ 3.97Å; E63-R75 IonicContact OE1-NH1 3.67Å; E63-R75 IonicContact OE1-NH2 3.79Å; E63-R75 PolarHBondContact OE1-NH2 2.97Å
76V93.8Very high93.8Very high0 Ų046.7 Ų46.70%025%0.249CC..EExtended strand (participates in β ladder)trans-126.7137.8176.1172.30000108.3L15 I48 L49 A50 E51 K78 L82 W85L15-V76 HydrophobicContact CD2-CG2 3.51Å; I48-V76 HydrophobicContact CG2-CB 4.38Å; I48-V76 HydrophobicContact CG2-CG2 3.57Å; L49-V76 PolarHBondContact O-N 3.36Å; A50-V76 CarbonylContact C-O 3.51Å; A50-V76 VanDerWaalsContact CA-O 3.31Å; A50-V76 WeakPolarHBondContact CA-O 3.34Å; E51-V76 PolarHBondContact N-O 2.96Å; V76-K78 PolarHBondContact O-N 3.5Å; V76-L82 HydrophobicContact CG1-CB 4.25Å; V76-L82 HydrophobicContact CG2-CD1 4.5Å; V76-W85 HydrophobicContact CG1-CH2 4.3Å; V76-W85 HydrophobicContact CG1-CZ3 3.95Å; V76-W85 HydrophobicContact CG2-CZ3 4.07Å
77P93.6Very high93.6Very high32 Ų3248.4 Ų48.421%0.20827%0.266CS..SBendtrans-63.7-36.3-172.123.4-35.3000114.5L12L12-P77 HydrophobicContact CD1-CG 4.18Å
78K95.6Very high93.6Very high107 Ų10745.7 Ų45.747%0.46525%0.247SC..  trans-131.6133.3-174.7-56.5-168.1-161.4125.40113.8D52 V76 L80 E81 L82D52-K78 WeakPolarHBondContact OD1-CA 3.33Å; V76-K78 PolarHBondContact O-N 3.5Å; K78-L80 PolarHBondContact O-N 3.45Å; K78-E81 HydrophobicContact CB-CB 4.28Å; K78-E81 HydrophobicContact CB-CG 4.07Å; K78-E81 WeakPolarHBondContact CD-OE1 3.29Å; K78-E81 IonicContact NZ-OE1 2.79Å; K78-E81 PolarHBondContact NZ-OE1 3.2Å; K78-E81 PolarHBondContact O-N 2.98Å; K78-L82 PolarHBondContact O-N 3.07Å; K78-L82 VanDerWaalsContact O-N 3.08Å
79K94.9Very high93.6Very high19 Ų1942.3 Ų42.38%0.08322%0.223CC..Hα-helixtrans-65-24.5174.663.8-165.7170.2-160.20113.6A50 D52 D54 G83 K102 C103A50-K79 HydrophobicContact CB-CB 3.69Å; D52-K79 PolarHBondContact O-NZ 3.35Å; D52-K79 VanDerWaalsContact O-NZ 3.07Å; D52-K79 WeakPolarHBondContact OD1-CB 3.3Å; D52-K79 WeakPolarHBondContact OD1-CG 3.36Å; D52-K79 PolarHBondContact OD1-N 2.85Å; D52-K79 PolarHBondContact OD2-N 3.18Å; D54-K79 IonicContact OD1-NZ 3.52Å; D54-K79 PolarHBondContact OD1-NZ 3.07Å; D54-K79 IonicContact OD2-NZ 2.67Å; D54-K79 PolarHBondContact OD2-NZ 3.25Å; K79-G83 PolarHBondContact O-N 3.38Å; K79-G83 VanDerWaalsContact O-N 3.15Å; K79-K102 HydrophobicContact CD-CB 4.5Å; K79-K102 HydrophobicContact CD-CD 4.36Å; K79-K102 HydrophobicContact CG-CB 4.08Å; K79-K102 HydrophobicContact CG-CD 4.22Å; K79-K102 HydrophobicContact CG-CG 4.24Å; K79-C103 WeakPolarHBondContact CA-O 3.24Å; K79-C103 WeakPolarHBondContact CB-O 3.49Å; K79-C103 PolarHBondContact O-N 2.72Å
80L94.7Very high93.6Very high76 Ų7645.5 Ų45.540%0.39824%0.238SC..Hα-helixtrans-72.2-44.9174.1-165.272.5000111.2K78 G83 E84 I100 K102K78-L80 PolarHBondContact O-N 3.45Å; L80-G83 PolarHBondContact O-N 2.99Å; L80-E84 PolarHBondContact O-N 3.21Å; L80-E84 VanDerWaalsContact O-N 3.07Å; L80-I100 HydrophobicContact CD1-CB 3.91Å; L80-I100 HydrophobicContact CD1-CG2 3.87Å; L80-I100 HydrophobicContact CG-CB 4.38Å; L80-I100 HydrophobicContact CG-CG2 4.17Å; L80-I100 VanDerWaalsContact O-CG2 3.29Å; L80-I100 WeakPolarHBondContact O-CG2 3.47Å; L80-K102 HydrophobicContact CD1-CG 3.81Å
81E94.2Very high93.6Very high51 Ų5149.4 Ų49.424%0.23823%0.233CC..Hα-helixtrans-65.2-42.8177.8-68.2170.2-162.800110.7K78 G83 E84 W85K78-E81 HydrophobicContact CB-CB 4.28Å; K78-E81 HydrophobicContact CB-CG 4.07Å; K78-E81 WeakPolarHBondContact CD-OE1 3.29Å; K78-E81 IonicContact NZ-OE1 2.79Å; K78-E81 PolarHBondContact NZ-OE1 3.2Å; K78-E81 PolarHBondContact O-N 2.98Å; E81-G83 VanDerWaalsContact C-N 3.31Å; E81-G83 PolarHBondContact O-N 3.47Å; E81-E84 WeakPolarHBondContact O-CB 3.39Å; E81-E84 PolarHBondContact O-N 2.95Å; E81-W85 HydrophobicContact CB-CZ2 4.36Å; E81-W85 VanDerWaalsContact O-CD1 3.25Å; E81-W85 VanDerWaalsContact O-CG 3.23Å; E81-W85 PolarHBondContact O-N 3.17Å
82L95.2Very high93.6Very high0 Ų050.5 Ų50.50%024%0.239CC..Hα-helixtrans-58.4-44.1174.6-175.956.5000111.6L19 I48 V76 K78 E84 W85 V86 C103 V106L19-L82 HydrophobicContact CD1-CD1 4.15Å; I48-L82 HydrophobicContact CG2-CD1 3.8Å; I48-L82 HydrophobicContact CG2-CD2 3.98Å; V76-L82 HydrophobicContact CG1-CB 4.25Å; V76-L82 HydrophobicContact CG2-CD1 4.5Å; K78-L82 PolarHBondContact O-N 3.07Å; K78-L82 VanDerWaalsContact O-N 3.08Å; L82-E84 PolarHBondContact O-N 3.44Å; L82-W85 PolarHBondContact O-N 3.35Å; L82-V86 HydrophobicContact CD1-CG1 4.23Å; L82-V86 WeakPolarHBondContact O-CG2 3.32Å; L82-V86 PolarHBondContact O-N 2.81Å; L82-C103 WeakPolarHBondContact CD2-O 3.47Å; L82-V106 HydrophobicContact CD1-CB 4.48Å; L82-V106 HydrophobicContact CD1-CG2 3.97Å; L82-V106 HydrophobicContact CD2-CG2 3.93Å; L82-V106 HydrophobicContact CG-CG2 3.87Å
83G95.2Very high93.7Very high0 Ų057.5 Ų57.50%027%0.266CS..Hα-helixtrans-57.8-44.2175.600000113.4K79 L80 E81 V86 G87 L88 V101K79-G83 PolarHBondContact O-N 3.38Å; K79-G83 VanDerWaalsContact O-N 3.15Å; L80-G83 PolarHBondContact O-N 2.99Å; E81-G83 VanDerWaalsContact C-N 3.31Å; E81-G83 PolarHBondContact O-N 3.47Å; G83-V86 WeakPolarHBondContact O-CG2 3.43Å; G83-G87 PolarHBondContact O-N 3.15Å; G83-L88 WeakPolarHBondContact O-CA 3.36Å; G83-L88 WeakPolarHBondContact O-CB 3.34Å; G83-L88 PolarHBondContact O-N 2.98Å; G83-V101 WeakPolarHBondContact CA-O 3.41Å
84E94.5Very high93.7Very high62 Ų6261.9 Ų61.929%0.2929%0.29SS..Hα-helixtrans-61.9-46.1175.2-170.7-173.715200111.6L80 E81 L82 V86 G87 A97 I100L80-E84 PolarHBondContact O-N 3.21Å; L80-E84 VanDerWaalsContact O-N 3.07Å; E81-E84 WeakPolarHBondContact O-CB 3.39Å; E81-E84 PolarHBondContact O-N 2.95Å; L82-E84 PolarHBondContact O-N 3.44Å; E84-V86 VanDerWaalsContact C-N 3.29Å; E84-V86 PolarHBondContact O-N 3.28Å; E84-G87 PolarHBondContact O-N 3.08Å; E84-G87 VanDerWaalsContact O-N 3.1Å; E84-A97 HydrophobicContact CG-CB 3.82Å; E84-I100 HydrophobicContact CB-CD1 4.1Å; E84-I100 HydrophobicContact CB-CG1 4.38Å; E84-I100 HydrophobicContact CB-CG2 4.02Å; E84-I100 HydrophobicContact CG-CD1 4.15Å; E84-I100 HydrophobicContact CG-CG1 4.48Å
85W94.2Very high93.5Very high32 Ų3264.2 Ų64.212%0.12131%0.314CS..Hα-helixtrans-65.9-32.1-176.3-63.5-4000113L12 L15 R16 L19 I23 V76 E81 L82 G87L12-W85 HydrophobicContact CB-CH2 4.04Å; L12-W85 HydrophobicContact CD2-CH2 3.97Å; L12-W85 HydrophobicContact CD2-CZ3 4.32Å; L12-W85 HydrophobicContact CG-CH2 4.47Å; L15-W85 HydrophobicContact CD2-CZ3 4.48Å; R16-W85 HydrophobicContact CB-CD2 4.08Å; R16-W85 HydrophobicContact CB-CE3 4.26Å; R16-W85 HydrophobicContact CB-CG 4.43Å; R16-W85 HydrophobicContact CG-CB 4.43Å; R16-W85 HydrophobicContact CG-CD2 4.03Å; R16-W85 HydrophobicContact CG-CG 3.89Å; L19-W85 HydrophobicContact CD1-CB 4.09Å; L19-W85 HydrophobicContact CD1-CE3 3.99Å; I23-W85 WeakPolarHBondContact CD1-O 3.4Å; V76-W85 HydrophobicContact CG1-CH2 4.3Å; V76-W85 HydrophobicContact CG1-CZ3 3.95Å; V76-W85 HydrophobicContact CG2-CZ3 4.07Å; E81-W85 HydrophobicContact CB-CZ2 4.36Å; E81-W85 VanDerWaalsContact O-CD1 3.25Å; E81-W85 VanDerWaalsContact O-CG 3.23Å; E81-W85 PolarHBondContact O-N 3.17Å; L82-W85 PolarHBondContact O-N 3.35Å; W85-G87 PolarHBondContact O-N 3.28Å
86V94.6Very high93.5Very high1 Ų162.5 Ų62.51%0.00631%0.313CS..THydrogen-bonded Turntrans-86.17.8176.6-57.50000114.5L19 L28 R30 L82 G83 E84 L88 C103 V106L19-V86 HydrophobicContact CD1-CG1 4.46Å; L19-V86 HydrophobicContact CD2-CG1 4.14Å; L28-V86 HydrophobicContact CD1-CB 4.22Å; L28-V86 HydrophobicContact CD1-CG1 3.87Å; R30-V86 HydrophobicContact CG-CB 4.39Å; R30-V86 HydrophobicContact CG-CG2 4.18Å; L82-V86 HydrophobicContact CD1-CG1 4.23Å; L82-V86 WeakPolarHBondContact O-CG2 3.32Å; L82-V86 PolarHBondContact O-N 2.81Å; G83-V86 WeakPolarHBondContact O-CG2 3.43Å; E84-V86 VanDerWaalsContact C-N 3.29Å; E84-V86 PolarHBondContact O-N 3.28Å; V86-L88 HydrophobicContact CG2-CB 4.4Å; V86-L88 HydrophobicContact CG2-CD1 3.74Å; V86-L88 HydrophobicContact CG2-CG 3.86Å; V86-C103 HydrophobicContact CG2-CB 4.42Å; V86-V106 HydrophobicContact CB-CG2 4.44Å; V86-V106 HydrophobicContact CG1-CB 4.29Å; V86-V106 HydrophobicContact CG1-CG1 3.84Å; V86-V106 HydrophobicContact CG1-CG2 3.61Å; V86-V106 HydrophobicContact CG2-CG2 4.27Å
87G91.8Very high93.4Very high38 Ų3863.4 Ų63.439%0.39232%0.32SS..THydrogen-bonded Turntrans79.515176.100000114.3G83 E84 W85 C89G83-G87 PolarHBondContact O-N 3.15Å; E84-G87 PolarHBondContact O-N 3.08Å; E84-G87 VanDerWaalsContact O-N 3.1Å; W85-G87 PolarHBondContact O-N 3.28Å; G87-C89 PolarHBondContact O-N 2.9Å
88L92.6Very high93.4Very high61 Ų6168.2 Ų68.232%0.31933%0.334SS..  trans-81.956.2174.7-66.3171.4000110.8R30 G83 V86 V101 C103R30-L88 HydrophobicContact CB-CD1 4.44Å; R30-L88 HydrophobicContact CG-CD1 4.47Å; G83-L88 WeakPolarHBondContact O-CA 3.36Å; G83-L88 WeakPolarHBondContact O-CB 3.34Å; G83-L88 PolarHBondContact O-N 2.98Å; V86-L88 HydrophobicContact CG2-CB 4.4Å; V86-L88 HydrophobicContact CG2-CD1 3.74Å; V86-L88 HydrophobicContact CG2-CG 3.86Å; L88-V101 HydrophobicContact CB-CB 4.14Å; L88-V101 PolarHBondContact O-N 3.49Å; L88-C103 HydrophobicContact CD1-CB 3.86Å
89C92.8Very high93.3Very high20 Ų2070.7 Ų70.714%0.13535%0.345CS..SBendtrans-144.7162177.968.60000111.3G87 Y91 A97 I100G87-C89 PolarHBondContact O-N 2.9Å; C89-Y91 VanDerWaalsContact SG-CZ 3.53Å; C89-A97 HydrophobicContact CB-CB 4.16Å; C89-I100 HydrophobicContact CB-CB 4.3Å; C89-I100 HydrophobicContact CB-CG1 3.76Å
90Q93Very high93.2Very high107 Ų10771.6 Ų71.650%0.535%0.35SS..EExtended strand (participates in β ladder)trans-96.9140.1168-62.5-171.8-17.400108.5R98 K99Q90-R98 PolarHBondContact N-O 3.21Å; Q90-R98 WeakPolarHBondContact O-CA 3.37Å; Q90-R98 PolarHBondContact O-N 3.31Å; Q90-K99 HydrophobicContact CG-CB 4.48Å
91Y91.6Very high93.3Very high148 Ų14872.2 Ų72.258%0.5836%0.357SS*.EExtended strand (participates in β ladder)trans-95.1134.2172.6-63.9-79.2000110C89 N96 A97C89-Y91 VanDerWaalsContact SG-CZ 3.53Å; Y91-N96 WeakPolarHBondContact CA-O 3.32Å; Y91-A97 HydrophobicContact CE1-CB 4.46Å
92D92.8Very high93.3Very high44 Ų4476.3 Ų76.324%0.23537%0.374CS..  trans-77.2177.2167.163.325.1000111.3D94 G95 N96 R98D92-D94 PolarHBondContact O-N 3.47Å; D92-D94 PolarHBondContact OD1-N 2.67Å; D92-D94 VanDerWaalsContact OD1-N 3.17Å; D92-G95 PolarHBondContact O-N 2.97Å; D92-G95 PolarHBondContact OD1-N 3.28Å; D92-N96 PolarHBondContact N-O 2.97Å; D92-N96 WeakPolarHBondContact OD1-CB 3.44Å; D92-N96 PolarHBondContact OD1-N 2.71Å; D92-N96 PolarHBondContact OD1-ND2 3.35Å; D92-N96 WeakPolarHBondContact OD2-CB 3.31Å; D92-R98 HydrophobicContact CB-CG 4.03Å; D92-R98 IonicContact OD2-CZ 3.44Å; D92-R98 IonicContact OD2-NE 2.9Å; D92-R98 PolarHBondContact OD2-NE 2.8Å; D92-R98 IonicContact OD2-NH2 3.26Å; D92-R98 PolarHBondContact OD2-NH2 3.35Å
93R93.5Very high93.2Very high253 Ų25376.7 Ų76.796%0.95538%0.376SS*.THydrogen-bonded Turntrans-63.7-21.6-178.2-63.5-179.7-175.2176.71.1112.9G95R93-G95 VanDerWaalsContact C-N 3.31Å
94D93.2Very high93.2Very high138 Ų13877.8 Ų77.874%0.73838%0.384SS*.THydrogen-bonded Turntrans-89.90.1178.6-55-45.3000111.8D92 N96D92-D94 PolarHBondContact O-N 3.47Å; D92-D94 PolarHBondContact OD1-N 2.67Å; D92-D94 VanDerWaalsContact OD1-N 3.17Å; D94-N96 VanDerWaalsContact C-N 3.35Å; D94-N96 WeakPolarHBondContact CB-ND2 3.37Å
95G89.2Confident93.2Very high49 Ų4974.8 Ų74.851%0.50537%0.37SS..SBendtrans80.110.9-179.300000114.4D92 R93D92-G95 PolarHBondContact O-N 2.97Å; D92-G95 PolarHBondContact OD1-N 3.28Å; R93-G95 VanDerWaalsContact C-N 3.31Å
96N92.5Very high93.3Very high75 Ų7573.3 Ų73.340%0.40137%0.365SS..  trans-81.7141.8176-55.3-70.2000111Y91 D92 D94 R98Y91-N96 WeakPolarHBondContact CA-O 3.32Å; D92-N96 PolarHBondContact N-O 2.97Å; D92-N96 WeakPolarHBondContact OD1-CB 3.44Å; D92-N96 PolarHBondContact OD1-N 2.71Å; D92-N96 PolarHBondContact OD1-ND2 3.35Å; D92-N96 WeakPolarHBondContact OD2-CB 3.31Å; D94-N96 VanDerWaalsContact C-N 3.35Å; D94-N96 WeakPolarHBondContact CB-ND2 3.37Å; N96-R98 PolarHBondContact O-N 2.74Å
97A91.8Very high93.4Very high19 Ų1973.2 Ų73.216%0.15736%0.364CS..EExtended strand (participates in β ladder)trans-68.1127.6172.700000111E84 C89 Y91 I100E84-A97 HydrophobicContact CG-CB 3.82Å; C89-A97 HydrophobicContact CB-CB 4.16Å; Y91-A97 HydrophobicContact CE1-CB 4.46Å; A97-I100 HydrophobicContact CB-CD1 4.18Å; A97-I100 HydrophobicContact CB-CG1 4.16Å
98R93.2Very high93.7Very high133 Ų13371.4 Ų71.450%0.50235%0.346SS..EExtended strand (participates in β ladder)trans-132.1157.3177.5-60.7-61.9179.4-141.83.7109.7Q90 D92 N96 I100Q90-R98 PolarHBondContact N-O 3.21Å; Q90-R98 WeakPolarHBondContact O-CA 3.37Å; Q90-R98 PolarHBondContact O-N 3.31Å; D92-R98 HydrophobicContact CB-CG 4.03Å; D92-R98 IonicContact OD2-CZ 3.44Å; D92-R98 IonicContact OD2-NE 2.9Å; D92-R98 PolarHBondContact OD2-NE 2.8Å; D92-R98 IonicContact OD2-NH2 3.26Å; D92-R98 PolarHBondContact OD2-NH2 3.35Å; N96-R98 PolarHBondContact O-N 2.74Å; R98-I100 PolarHBondContact O-N 3.07Å
99K92.9Very high93.8Very high158 Ų15871.8 Ų71.869%0.68735%0.345SS*.SBendtrans45.948.3-179.6-56.7-170.8-160.9152.50112.4Q90 V101Q90-K99 HydrophobicContact CG-CB 4.48Å; K99-V101 PolarHBondContact O-N 3.23Å
100I94.6Very high93.9Very high39 Ų3974 Ų7420%0.236%0.355CS..PPolyproline II helixtrans-64124.2179.9-57.9161.5000108.3L80 E84 C89 A97 R98L80-I100 HydrophobicContact CD1-CB 3.91Å; L80-I100 HydrophobicContact CD1-CG2 3.87Å; L80-I100 HydrophobicContact CG-CB 4.38Å; L80-I100 HydrophobicContact CG-CG2 4.17Å; L80-I100 VanDerWaalsContact O-CG2 3.29Å; L80-I100 WeakPolarHBondContact O-CG2 3.47Å; E84-I100 HydrophobicContact CB-CD1 4.1Å; E84-I100 HydrophobicContact CB-CG1 4.38Å; E84-I100 HydrophobicContact CB-CG2 4.02Å; E84-I100 HydrophobicContact CG-CD1 4.15Å; E84-I100 HydrophobicContact CG-CG1 4.48Å; C89-I100 HydrophobicContact CB-CB 4.3Å; C89-I100 HydrophobicContact CB-CG1 3.76Å; A97-I100 HydrophobicContact CB-CD1 4.18Å; A97-I100 HydrophobicContact CB-CG1 4.16Å; R98-I100 PolarHBondContact O-N 3.07Å
101V95.1Very high93.9Very high89 Ų8969.5 Ų69.554%0.53933%0.333SS..PPolyproline II helixtrans-84.1127.6173.7-179.10000107.7G83 L88 K99G83-V101 WeakPolarHBondContact CA-O 3.41Å; L88-V101 HydrophobicContact CB-CB 4.14Å; L88-V101 PolarHBondContact O-N 3.49Å; K99-V101 PolarHBondContact O-N 3.23Å
102K94.3Very high93.9Very high137 Ų13764 Ų6460%0.59632%0.322SS*.PPolyproline II helixtrans-64.1136.5179.1-64.7176.1-177.4178.70110K79 L80K79-K102 HydrophobicContact CD-CB 4.5Å; K79-K102 HydrophobicContact CD-CD 4.36Å; K79-K102 HydrophobicContact CG-CB 4.08Å; K79-K102 HydrophobicContact CG-CD 4.22Å; K79-K102 HydrophobicContact CG-CG 4.24Å; L80-K102 HydrophobicContact CD1-CG 3.81Å
103C94.4Very high93.7Very high7 Ų769.2 Ų69.25%0.04735%0.345CS..  trans-128.9119.8174.9-163.90000109.4K79 L82 V86 L88 C105 V106K79-C103 WeakPolarHBondContact CA-O 3.24Å; K79-C103 WeakPolarHBondContact CB-O 3.49Å; K79-C103 PolarHBondContact O-N 2.72Å; L82-C103 WeakPolarHBondContact CD2-O 3.47Å; V86-C103 HydrophobicContact CG2-CB 4.42Å; L88-C103 HydrophobicContact CD1-CB 3.86Å; C103-C105 PolarHBondContact SG-O 3.37Å; C103-C105 VanDerWaalsContact SG-O 3.38Å; C103-V106 VanDerWaalsContact SG-CG2 3.59Å
104S94.5Very high93.3Very high23 Ų2364.8 Ų64.816%0.16134%0.335CS..SBendtrans-89-29.1-177.5-54.40000113A50A50-S104 PolarHBondContact N-O 3.46Å
105C95.1Very high93.2Very high0 Ų060.1 Ų60.10%031%0.312CS..EExtended strand (participates in β ladder)trans-144.3141.2178.11760000111.9G31 I48 L49 Y58 V62 C103G31-C105 PolarHBondContact N-O 2.75Å; I48-C105 VanDerWaalsContact O-CA 3.25Å; I48-C105 WeakPolarHBondContact O-CA 3.4Å; L49-C105 HydrophobicContact CD1-CB 4.24Å; Y58-C105 HydrophobicContact CE1-CB 3.6Å; Y58-C105 WeakPolarHBondContact OH-CB 3.34Å; Y58-C105 PolarHBondContact OH-N 2.9Å; V62-C105 HydrophobicContact CG2-CB 4.43Å; C103-C105 PolarHBondContact SG-O 3.37Å; C103-C105 VanDerWaalsContact SG-O 3.38Å
106V96.5Very high93.3Very high0 Ų061.8 Ų61.80%032%0.316CS..EExtended strand (participates in β ladder)trans-136.9138.4178.8175.90000107.7L19 L28 V29 I48 L82 V86 C103L19-V106 HydrophobicContact CD2-CG1 4.22Å; L28-V106 HydrophobicContact CD1-CG1 4.19Å; L28-V106 HydrophobicContact CD2-CG1 4.08Å; V29-V106 CarbonylContact O-C 3.55Å; V29-V106 WeakPolarHBondContact O-CA 3.36Å; I48-V106 HydrophobicContact CB-CB 4.43Å; I48-V106 PolarHBondContact N-O 3.2Å; I48-V106 PolarHBondContact O-N 3.17Å; L82-V106 HydrophobicContact CD1-CB 4.48Å; L82-V106 HydrophobicContact CD1-CG2 3.97Å; L82-V106 HydrophobicContact CD2-CG2 3.93Å; L82-V106 HydrophobicContact CG-CG2 3.87Å; V86-V106 HydrophobicContact CB-CG2 4.44Å; V86-V106 HydrophobicContact CG1-CB 4.29Å; V86-V106 HydrophobicContact CG1-CG1 3.84Å; V86-V106 HydrophobicContact CG1-CG2 3.61Å; V86-V106 HydrophobicContact CG2-CG2 4.27Å; C103-V106 VanDerWaalsContact SG-CG2 3.59Å
107V96.9Very high93.2Very high0 Ų058.2 Ų58.20%030%0.297CS..EExtended strand (participates in β ladder)trans-118.1131.8175.4166.40000109.2V29 A35 A38 L39 A44 C47 K109V29-V107 HydrophobicContact CB-CB 4.25Å; V29-V107 PolarHBondContact N-O 2.81Å; V29-V107 PolarHBondContact O-N 3.45Å; A35-V107 HydrophobicContact CB-CB 4.45Å; A35-V107 HydrophobicContact CB-CG2 3.64Å; A38-V107 HydrophobicContact CB-CG1 3.93Å; L39-V107 HydrophobicContact CD2-CG2 4.21Å; L39-V107 HydrophobicContact CG-CG2 4.18Å; A44-V107 HydrophobicContact CB-CG1 3.35Å; C47-V107 HydrophobicContact CB-CG2 4.31Å; V107-K109 HydrophobicContact CG1-CG 4.39Å
108I96.3Very high93.2Very high0 Ų057.9 Ų57.90%029%0.292CS..EExtended strand (participates in β ladder)trans-93.8120172.3-46.2-164.9000108.4V18 L19 A22 L28 L45 L46 I48 Y111V18-I108 HydrophobicContact CG1-CD1 3.99Å; L19-I108 HydrophobicContact CD2-CD1 3.95Å; L19-I108 HydrophobicContact CD2-CG1 4.37Å; A22-I108 HydrophobicContact CB-CG2 3.91Å; L28-I108 HydrophobicContact CD2-CB 4.05Å; L28-I108 HydrophobicContact CD2-CD1 4.15Å; L28-I108 HydrophobicContact CD2-CG1 3.55Å; L28-I108 HydrophobicContact CD2-CG2 4.13Å; L45-I108 PolarHBondContact N-O 3.02Å; L46-I108 HydrophobicContact CB-CB 4.34Å; L46-I108 HydrophobicContact CB-CG1 4.38Å; L46-I108 HydrophobicContact CD2-CD1 4.04Å; L46-I108 PolarHBondContact N-O 3.01Å; L46-I108 PolarHBondContact O-N 3.19Å; I48-I108 HydrophobicContact CD1-CD1 3.99Å; I48-I108 HydrophobicContact CD1-CG1 4.19Å; I108-Y111 HydrophobicContact CB-CE1 4.3Å; I108-Y111 HydrophobicContact CD1-CD1 4.21Å; I108-Y111 HydrophobicContact CD1-CE1 3.73Å; I108-Y111 HydrophobicContact CG2-CD1 3.67Å; I108-Y111 HydrophobicContact CG2-CE1 3.78Å; I108-Y111 HydrophobicContact CG2-CG 4.22Å
109K95.8Very high93.1Very high69 Ų6955.7 Ų55.730%0.329%0.29SS..SBendtrans-99.4-32.2173.4-65.5-171.3169-175.70112.8G27 V29 E43 L45 V107G27-K109 PolarHBondContact O-N 2.95Å; V29-K109 HydrophobicContact CG2-CD 3.76Å; V29-K109 VanDerWaalsContact CG2-CE 3.45Å; V29-K109 HydrophobicContact CG2-CG 4.15Å; E43-K109 HydrophobicContact CB-CD 4.34Å; E43-K109 WeakPolarHBondContact OE2-CE 3.23Å; E43-K109 IonicContact OE2-NZ 3.78Å; E43-K109 PolarHBondContact OE2-NZ 3.37Å; L45-K109 VanDerWaalsContact CD1-O 3.28Å; L45-K109 WeakPolarHBondContact CD1-O 3.47Å; V107-K109 HydrophobicContact CG1-CG 4.39Å
110D95Very high93.1Very high65 Ų6549.6 Ų49.635%0.34827%0.265SS..  trans-141.8126.7177.4-172.7-3.3000108.2A22 R25 G27 G112A22-D110 WeakPolarHBondContact CB-O 3.34Å; R25-D110 VanDerWaalsContact CG-OD2 3.28Å; R25-D110 WeakPolarHBondContact CG-OD2 3.46Å; R25-D110 IonicContact NE-OD2 3.92Å; G27-D110 WeakPolarHBondContact CA-O 3.46Å; G27-D110 PolarHBondContact O-N 3.39Å; D110-G112 VanDerWaalsContact C-N 3.3Å; D110-G112 PolarHBondContact OD1-N 3.06Å
111Y92.6Very high93Very high13 Ų1347.8 Ų47.85%0.05126%0.256CS..  trans-77-21.2175.8-72.4-65.7000112.2V18 C21 A22 L45 L46 I108 E113 H118V18-Y111 HydrophobicContact CG1-CD1 3.48Å; V18-Y111 VanDerWaalsContact CG1-CD1 3.48Å; V18-Y111 HydrophobicContact CG1-CE1 3.42Å; V18-Y111 VanDerWaalsContact CG1-CE1 3.42Å; C21-Y111 CarbonylContact C-O 3.35Å; C21-Y111 WeakPolarHBondContact CB-O 3.33Å; A22-Y111 PolarHBondContact N-O 3.44Å; L45-Y111 HydrophobicContact CB-CD2 4.48Å; L45-Y111 HydrophobicContact CB-CE2 3.77Å; L45-Y111 HydrophobicContact CD1-CD2 3.61Å; L45-Y111 HydrophobicContact CD1-CE2 3.73Å; L45-Y111 HydrophobicContact CG-CE2 4.39Å; L46-Y111 VanDerWaalsContact CB-OH 3.23Å; L46-Y111 WeakPolarHBondContact CB-OH 3.44Å; I108-Y111 HydrophobicContact CB-CE1 4.3Å; I108-Y111 HydrophobicContact CD1-CD1 4.21Å; I108-Y111 HydrophobicContact CD1-CE1 3.73Å; I108-Y111 HydrophobicContact CG2-CD1 3.67Å; I108-Y111 HydrophobicContact CG2-CE1 3.78Å; I108-Y111 HydrophobicContact CG2-CG 4.22Å; Y111-E113 PolarHBondContact O-N 3.24Å; Y111-H118 WeakPolarHBondContact CB-NE2 3.43Å; Y111-H118 AromaticContact CD1-CD2 3.57Å; Y111-H118 AromaticContact CD1-NE2 3.19Å; Y111-H118 WeakPolarHBondContact CD1-NE2 3.48Å; Y111-H118 AromaticContact CE1-CD2 3.84Å; Y111-H118 AromaticContact CE1-NE2 3.9Å; Y111-H118 AromaticContact CG-CD2 3.72Å; Y111-H118 AromaticContact CG-NE2 3.36Å
112G91Very high92.8Very high34 Ų3445.2 Ų45.235%0.35124%0.239SC..SBendtrans69.8-108.3-167.400000110.7D110D110-G112 VanDerWaalsContact C-N 3.3Å; D110-G112 PolarHBondContact OD1-N 3.06Å
113E89.9Confident92.6Very high153 Ų15344.7 Ų44.772%0.71523%0.233SC*.SBendtrans-88.5118.3179.8-67.1-176.6179.300111Y111 T115 H118Y111-E113 PolarHBondContact O-N 3.24Å; E113-T115 PolarHBondContact O-N 3.39Å; E113-H118 PolarHBondContact O-CE1 3.35Å
114E85.6Confident92.5Very high160 Ų16045.9 Ų45.975%0.74824%0.237SC*.  trans-75.9104173.3-67.2-172.4170.600110.3
115T90Very high92.2Very high39 Ų3946 Ų4624%0.23924%0.236CC..  trans-95.3169.1171.975.50000111.5E17 E113 A117 H118E17-T115 PolarHBondContact OE1-OG1 3.4Å; E113-T115 PolarHBondContact O-N 3.39Å; T115-A117 PolarHBondContact O-N 3.04Å; T115-A117 VanDerWaalsContact OG1-CB 3.31Å; T115-A117 WeakPolarHBondContact OG1-CB 3.46Å; T115-A117 PolarHBondContact OG1-N 3.39Å; T115-H118 PolarHBondContact N-CE1 2.82Å; T115-H118 PolarHBondContact N-ND1 3.04Å; T115-H118 WeakPolarHBondContact O-CB 3.48Å; T115-H118 PolarHBondContact O-N 3.43Å; T115-H118 PolarHBondContact O-ND1 3.43Å
116S90.4Very high91.9Very high85 Ų8553 Ų5359%0.59427%0.268SS*.Hα-helixtrans-55.3-17.2173.251.60000114.2H118 D119 I120S116-H118 PolarHBondContact O-N 2.93Å; S116-D119 PolarHBondContact O-N 3.28Å; S116-I120 PolarHBondContact O-N 3.05Å
117A91.2Very high91.3Very high0 Ų054.9 Ų54.90%028%0.281CS..Hα-helixtrans-62.1-31.7174.100000112.5N14 E17 V18 T115 D119 I120 V121N14-A117 HydrophobicContact CB-CB 3.89Å; N14-A117 WeakPolarHBondContact OD1-CA 3.22Å; N14-A117 WeakPolarHBondContact OD1-CB 3.47Å; E17-A117 HydrophobicContact CB-CB 4.1Å; E17-A117 HydrophobicContact CG-CB 4.32Å; V18-A117 HydrophobicContact CG2-CB 3.84Å; T115-A117 PolarHBondContact O-N 3.04Å; T115-A117 VanDerWaalsContact OG1-CB 3.31Å; T115-A117 WeakPolarHBondContact OG1-CB 3.46Å; T115-A117 PolarHBondContact OG1-N 3.39Å; A117-D119 PolarHBondContact O-N 3.07Å; A117-I120 PolarHBondContact O-N 3.49Å; A117-V121 WeakPolarHBondContact O-CB 3.26Å; A117-V121 VanDerWaalsContact O-CG2 3.29Å; A117-V121 WeakPolarHBondContact O-CG2 3.36Å; A117-V121 PolarHBondContact O-N 2.77Å
118H91.5Very high90.5Very high11 Ų1158.8 Ų58.85%0.05131%0.305CS..Hα-helixtrans-63.2-42.8177.9-65.178.3000111.3Y111 E113 T115 S116 I120 V121 N122Y111-H118 WeakPolarHBondContact CB-NE2 3.43Å; Y111-H118 AromaticContact CD1-CD2 3.57Å; Y111-H118 AromaticContact CD1-NE2 3.19Å; Y111-H118 WeakPolarHBondContact CD1-NE2 3.48Å; Y111-H118 AromaticContact CE1-CD2 3.84Å; Y111-H118 AromaticContact CE1-NE2 3.9Å; Y111-H118 AromaticContact CG-CD2 3.72Å; Y111-H118 AromaticContact CG-NE2 3.36Å; E113-H118 PolarHBondContact O-CE1 3.35Å; T115-H118 PolarHBondContact N-CE1 2.82Å; T115-H118 PolarHBondContact N-ND1 3.04Å; T115-H118 WeakPolarHBondContact O-CB 3.48Å; T115-H118 PolarHBondContact O-N 3.43Å; T115-H118 PolarHBondContact O-ND1 3.43Å; S116-H118 PolarHBondContact O-N 2.93Å; H118-I120 VanDerWaalsContact C-N 3.33Å; H118-I120 PolarHBondContact O-N 3.49Å; H118-V121 PolarHBondContact O-N 2.99Å; H118-N122 VanDerWaalsContact O-CB 3.27Å; H118-N122 WeakPolarHBondContact O-CB 3.22Å; H118-N122 PolarHBondContact O-N 3.26Å; H118-N122 PolarHBondContact O-ND2 2.9Å; H118-N122 VanDerWaalsContact O-ND2 3.07Å
119D91.5Very high88.8Confident88 Ų8864.6 Ų64.647%0.47137%0.365SS..Hα-helixtrans-62.4-42.3178.9-68.5-24.5000111.6S116 A117 N122 R123S116-D119 PolarHBondContact O-N 3.28Å; A117-D119 PolarHBondContact O-N 3.07Å; D119-N122 PolarHBondContact O-N 3.01Å; D119-R123 WeakPolarHBondContact O-CB 3.45Å; D119-R123 WeakPolarHBondContact O-CG 3.43Å; D119-R123 PolarHBondContact O-N 3.3Å
120I92.1Very high88.5Confident29 Ų2964.4 Ų64.415%0.14937%0.368CS..Hα-helixtrans-67.3-45.1179.4-64.5169.8000110.5P6 E10 N14 S116 A117 H118 N122 R123 Y124P6-I120 HydrophobicContact CB-CG2 3.83Å; P6-I120 HydrophobicContact CG-CG2 4.28Å; E10-I120 HydrophobicContact CG-CG2 3.98Å; N14-I120 HydrophobicContact CB-CB 4.27Å; N14-I120 HydrophobicContact CB-CG2 4.19Å; N14-I120 WeakPolarHBondContact OD1-CD1 3.28Å; S116-I120 PolarHBondContact O-N 3.05Å; A117-I120 PolarHBondContact O-N 3.49Å; H118-I120 VanDerWaalsContact C-N 3.33Å; H118-I120 PolarHBondContact O-N 3.49Å; I120-N122 PolarHBondContact O-N 3.23Å; I120-R123 PolarHBondContact O-N 2.86Å; I120-Y124 PolarHBondContact O-N 2.67Å
121V92.4Very high88.1Confident2 Ų264.3 Ų64.31%0.01237%0.369CS..Hα-helixtrans-59.6-47.5175.6169.90000110.3Y11 N14 L15 V18 A117 H118 R123 Y124 L125Y11-V121 HydrophobicContact CD2-CG2 4.44Å; Y11-V121 HydrophobicContact CE2-CG1 4.15Å; N14-V121 HydrophobicContact CB-CG2 4Å; L15-V121 HydrophobicContact CB-CG2 4.08Å; L15-V121 HydrophobicContact CD1-CG1 4.1Å; L15-V121 HydrophobicContact CD1-CG2 4.35Å; V18-V121 HydrophobicContact CG2-CG2 4.17Å; A117-V121 WeakPolarHBondContact O-CB 3.26Å; A117-V121 VanDerWaalsContact O-CG2 3.29Å; A117-V121 WeakPolarHBondContact O-CG2 3.36Å; A117-V121 PolarHBondContact O-N 2.77Å; H118-V121 PolarHBondContact O-N 2.99Å; V121-R123 PolarHBondContact O-N 3.35Å; V121-Y124 WeakPolarHBondContact O-CB 3.33Å; V121-Y124 PolarHBondContact O-N 3.4Å; V121-L125 HydrophobicContact CG1-CD1 3.98Å; V121-L125 HydrophobicContact CG1-CG 4.42Å; V121-L125 VanDerWaalsContact O-CG 3.3Å; V121-L125 WeakPolarHBondContact O-CG 3.43Å; V121-L125 PolarHBondContact O-N 3.23Å
122N91Very high87.9Confident35 Ų3567.2 Ų67.219%0.18739%0.387CS..Hα-helixtrans-60.1-47.9179.3-70.3-27.8000111.8R72 H118 D119 I120 Y124 L125 E126R72-N122 PolarHBondContact NH1-OD1 3.44Å; H118-N122 VanDerWaalsContact O-CB 3.27Å; H118-N122 WeakPolarHBondContact O-CB 3.22Å; H118-N122 PolarHBondContact O-N 3.26Å; H118-N122 PolarHBondContact O-ND2 2.9Å; H118-N122 VanDerWaalsContact O-ND2 3.07Å; D119-N122 PolarHBondContact O-N 3.01Å; I120-N122 PolarHBondContact O-N 3.23Å; N122-Y124 VanDerWaalsContact C-N 3.29Å; N122-Y124 PolarHBondContact O-N 3.26Å; N122-L125 PolarHBondContact O-N 3.22Å; N122-L125 VanDerWaalsContact O-N 3.17Å; N122-E126 WeakPolarHBondContact O-CG 3.43Å; N122-E126 PolarHBondContact O-N 2.99Å
123R91.4Very high87.7Confident125 Ų12569.1 Ų69.147%0.47239%0.389SS..Hα-helixtrans-60.3-37.9176.4-72.6173.9-162.1155.98.9112.6P6 D119 I120 V121 S127P6-R123 HydrophobicContact CG-CB 4.18Å; D119-R123 WeakPolarHBondContact O-CB 3.45Å; D119-R123 WeakPolarHBondContact O-CG 3.43Å; D119-R123 PolarHBondContact O-N 3.3Å; I120-R123 PolarHBondContact O-N 2.86Å; V121-R123 PolarHBondContact O-N 3.35Å; R123-S127 WeakPolarHBondContact O-CB 3.07Å; R123-S127 PolarHBondContact O-N 2.99Å
124Y91.4Very high87.5Confident33 Ų3363.9 Ų63.913%0.12937%0.369CS..Hα-helixtrans-64.1-47.5175.5-170.7-97000111.1P6 Y11 I120 V121 N122 E126 S127 V128P6-Y124 HydrophobicContact CG-CD2 4.07Å; P6-Y124 HydrophobicContact CG-CG 4.41Å; P6-Y124 WeakPolarHBondContact O-CD2 3.44Å; Y11-Y124 AromaticContact CD1-CD1 3.72Å; Y11-Y124 HydrophobicContact CD1-CD1 3.72Å; Y11-Y124 AromaticContact CD1-CE1 3.6Å; Y11-Y124 HydrophobicContact CD1-CE1 3.6Å; Y11-Y124 HydrophobicContact CD1-CG 4.24Å; Y11-Y124 VanDerWaalsContact CD2-CB 3.46Å; Y11-Y124 AromaticContact CD2-CD1 3.27Å; Y11-Y124 HydrophobicContact CD2-CD1 3.27Å; Y11-Y124 HydrophobicContact CD2-CD2 4.35Å; Y11-Y124 HydrophobicContact CD2-CE1 4.06Å; Y11-Y124 AromaticContact CD2-CG 3.44Å; Y11-Y124 HydrophobicContact CD2-CG 3.44Å; Y11-Y124 VanDerWaalsContact CD2-CG 3.44Å; Y11-Y124 AromaticContact CE1-CD1 3.98Å; Y11-Y124 HydrophobicContact CE1-CD1 3.98Å; Y11-Y124 AromaticContact CE1-CE1 3.83Å; Y11-Y124 HydrophobicContact CE1-CE1 3.83Å; Y11-Y124 AromaticContact CE2-CD1 3.53Å; Y11-Y124 HydrophobicContact CE2-CD1 3.53Å; Y11-Y124 HydrophobicContact CE2-CE1 4.23Å; Y11-Y124 HydrophobicContact CE2-CG 4.14Å; Y11-Y124 AromaticContact CG-CD1 3.34Å; Y11-Y124 HydrophobicContact CG-CD1 3.34Å; Y11-Y124 AromaticContact CG-CD2 3.96Å; Y11-Y124 HydrophobicContact CG-CD2 3.96Å; Y11-Y124 AromaticContact CG-CE1 3.71Å; Y11-Y124 HydrophobicContact CG-CE1 3.71Å; Y11-Y124 HydrophobicContact CG-CE2 4.3Å; Y11-Y124 AromaticContact CG-CG 3.47Å; Y11-Y124 HydrophobicContact CG-CG 3.47Å; Y11-Y124 VanDerWaalsContact CG-CG 3.47Å; Y11-Y124 AromaticContact CZ-CD1 3.88Å; I120-Y124 PolarHBondContact O-N 2.67Å; V121-Y124 WeakPolarHBondContact O-CB 3.33Å; V121-Y124 PolarHBondContact O-N 3.4Å; N122-Y124 VanDerWaalsContact C-N 3.29Å; N122-Y124 PolarHBondContact O-N 3.26Å; Y124-E126 VanDerWaalsContact C-N 3.34Å; Y124-E126 PolarHBondContact O-N 3.18Å; Y124-S127 WeakPolarHBondContact O-CB 3.48Å; Y124-S127 PolarHBondContact O-N 3.46Å; Y124-S127 PolarHBondContact O-OG 2.92Å; Y124-V128 HydrophobicContact CD1-CG2 4.03Å; Y124-V128 HydrophobicContact CE1-CG2 3.62Å; Y124-V128 HydrophobicContact CE2-CG2 4.36Å; Y124-V128 WeakPolarHBondContact O-CG2 3.47Å; Y124-V128 PolarHBondContact O-N 3.49Å
125L89.5Confident87.7Confident25 Ų2557.5 Ų57.513%0.13134%0.343CS..Hα-helixtrans-61.8-41.6-179.4-66175.2000111.9Y11 L46 A74 V121 N122 S127 V128 G129Y11-L125 HydrophobicContact CE2-CD2 4.18Å; Y11-L125 HydrophobicContact CE2-CG 4.46Å; L46-L125 HydrophobicContact CD1-CD1 3.68Å; A74-L125 HydrophobicContact CB-CD1 4.44Å; A74-L125 HydrophobicContact CB-CD2 3.89Å; V121-L125 HydrophobicContact CG1-CD1 3.98Å; V121-L125 HydrophobicContact CG1-CG 4.42Å; V121-L125 VanDerWaalsContact O-CG 3.3Å; V121-L125 WeakPolarHBondContact O-CG 3.43Å; V121-L125 PolarHBondContact O-N 3.23Å; N122-L125 PolarHBondContact O-N 3.22Å; N122-L125 VanDerWaalsContact O-N 3.17Å; L125-S127 PolarHBondContact O-N 3.3Å; L125-V128 PolarHBondContact O-N 2.78Å; L125-G129 PolarHBondContact O-N 2.79Å
126E88.6Confident87.5Confident146 Ų14658.8 Ų58.868%0.68235%0.351SS*.Hα-helixtrans-62.6-23.8173.8-72169.8-172.400113.3N122 Y124N122-E126 WeakPolarHBondContact O-CG 3.43Å; N122-E126 PolarHBondContact O-N 2.99Å; Y124-E126 VanDerWaalsContact C-N 3.34Å; Y124-E126 PolarHBondContact O-N 3.18Å
127S84.2Confident87.3Confident40 Ų4056.8 Ų56.828%0.2833%0.332SS..THydrogen-bonded Turntrans-92.8-9.1-17981.40000114.6K5 R123 Y124 L125K5-S127 WeakPolarHBondContact CD-OG 3.43Å; K5-S127 WeakPolarHBondContact CE-OG 3.36Å; K5-S127 WeakPolarHBondContact CG-OG 3.25Å; K5-S127 PolarHBondContact NZ-O 3.48Å; K5-S127 PolarHBondContact NZ-OG 3.29Å; R123-S127 WeakPolarHBondContact O-CB 3.07Å; R123-S127 PolarHBondContact O-N 2.99Å; Y124-S127 WeakPolarHBondContact O-CB 3.48Å; Y124-S127 PolarHBondContact O-N 3.46Å; Y124-S127 PolarHBondContact O-OG 2.92Å; L125-S127 PolarHBondContact O-N 3.3Å
128V79.2Confident86.9Confident82 Ų8261.5 Ų61.550%0.49736%0.36SS..THydrogen-bonded Turntrans-114.1-30.4-178.1178.20000111.6Y124 L125Y124-V128 HydrophobicContact CD1-CG2 4.03Å; Y124-V128 HydrophobicContact CE1-CG2 3.62Å; Y124-V128 HydrophobicContact CE2-CG2 4.36Å; Y124-V128 WeakPolarHBondContact O-CG2 3.47Å; Y124-V128 PolarHBondContact O-N 3.49Å; L125-V128 PolarHBondContact O-N 2.78Å
129G60.7Low86.5Confident122 Ų12266.1 Ų66.1100%1.25839%0.388SS*.  trans-68.10170.400000111.9L125L125-G129 PolarHBondContact O-N 2.79Å

Retrieved 129 of 129 residues in 171.4 ms (Link to these results)

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