A0A077ZEB5_TRITR Loading...

[histone H4]-N-methyl-L-lysine(20) N-methyltransferase

AlphaFold DB , UniProt , Accession A0A077ZEB5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 298 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
1M86.9Confident95.3Very high73 Ų7328.5 Ų28.536%0.3615%0.146SC..  01300-174.4-168.9-83.200107.5A5 L6 V9 Q82M1-A5 HydrophobicContact CG-CB 3.53Å; M1-A5 HydrophobicContact SD-CB 4.41Å; M1-L6 HydrophobicContact CG-CB 4.12Å; M1-L6 WeakPolarHBondContact SD-CA 3.43Å; M1-L6 HydrophobicContact SD-CB 3.48Å; M1-L6 WeakPolarHBondContact SD-CB 3.41Å; M1-L6 HydrophobicContact SD-CD1 3.52Å; M1-L6 VanDerWaalsContact SD-CD1 3.52Å; M1-L6 HydrophobicContact SD-CG 4.09Å; M1-L6 PolarHBondContact SD-N 2.79Å; M1-V9 HydrophobicContact CE-CB 4.24Å; M1-V9 HydrophobicContact CE-CG1 4.41Å; M1-V9 HydrophobicContact CE-CG2 3.85Å; M1-Q82 HydrophobicContact CE-CB 3.45Å; M1-Q82 VanDerWaalsContact CE-CB 3.45Å; M1-Q82 HydrophobicContact CE-CG 3.9Å
2D92.7Very high95.6Very high80 Ų8026.1 Ų26.143%0.42813%0.133SC..  trans-80.8176.6176.173.2-7.5000111.5L4 A5 L6D2-L4 VanDerWaalsContact C-N 3.32Å; D2-L4 PolarHBondContact O-N 3.19Å; D2-L4 PolarHBondContact OD1-N 2.83Å; D2-A5 WeakPolarHBondContact OD1-CB 3.5Å; D2-A5 PolarHBondContact OD1-N 2.84Å; D2-L6 VanDerWaalsContact O-CB 3.27Å; D2-L6 WeakPolarHBondContact O-CB 3.46Å; D2-L6 PolarHBondContact O-N 2.71Å
3A93.5Very high95.8Very high0 Ų024.1 Ų24.10%012%0.123CC..Hα-helixtrans-61.8-37.4-178.100000113.1S7 A138 L140 L148 L169A3-S7 WeakPolarHBondContact O-CB 3.32Å; A3-S7 PolarHBondContact O-N 3.26Å; A3-S7 PolarHBondContact O-OG 3.41Å; A3-A138 HydrophobicContact CB-CB 4.21Å; A3-L140 HydrophobicContact CB-CD2 3.61Å; A3-L140 HydrophobicContact CB-CG 4.46Å; A3-L148 HydrophobicContact CB-CD1 4.09Å; A3-L169 HydrophobicContact CB-CD1 4.02Å
4L95.3Very high96Very high54 Ų5422.6 Ų22.628%0.28312%0.116SC..Hα-helixtrans-70.2-49.6-179.5175.956.7000111.3D2 L6 S7 R8 L148D2-L4 VanDerWaalsContact C-N 3.32Å; D2-L4 PolarHBondContact O-N 3.19Å; D2-L4 PolarHBondContact OD1-N 2.83Å; L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 3.15Å; L4-S7 PolarHBondContact O-N 3.13Å; L4-S7 PolarHBondContact O-OG 3.4Å; L4-R8 HydrophobicContact CD1-CG 4.28Å; L4-R8 WeakPolarHBondContact O-CG 3.48Å; L4-R8 PolarHBondContact O-N 3.23Å; L4-R8 VanDerWaalsContact O-N 3.1Å; L4-L148 HydrophobicContact CB-CD1 4.19Å; L4-L148 HydrophobicContact CB-CD2 4.44Å; L4-L148 HydrophobicContact CD1-CD2 3.71Å
5A96Very high96.1Very high20 Ų2021.3 Ų21.317%0.16511%0.109CC..Hα-helixtrans-60.6-40.4175.700000111M1 D2 S7 R8 V9 L78M1-A5 HydrophobicContact CG-CB 3.53Å; M1-A5 HydrophobicContact SD-CB 4.41Å; D2-A5 WeakPolarHBondContact OD1-CB 3.5Å; D2-A5 PolarHBondContact OD1-N 2.84Å; A5-S7 PolarHBondContact O-N 2.99Å; A5-R8 PolarHBondContact O-N 3.43Å; A5-V9 WeakPolarHBondContact O-CB 3.42Å; A5-V9 VanDerWaalsContact O-CG2 3.29Å; A5-V9 WeakPolarHBondContact O-CG2 3.42Å; A5-V9 PolarHBondContact O-N 3.44Å; A5-L78 HydrophobicContact CB-CD2 4.22Å
6L96.1Very high96.3Very high2 Ų219.9 Ų19.91%0.0110%0.102CC..Hα-helixtrans-61.9-45.3176.5-174.363000112.5M1 D2 L4 R8 V9 D10 K136 A138 L171M1-L6 HydrophobicContact CG-CB 4.12Å; M1-L6 WeakPolarHBondContact SD-CA 3.43Å; M1-L6 HydrophobicContact SD-CB 3.48Å; M1-L6 WeakPolarHBondContact SD-CB 3.41Å; M1-L6 HydrophobicContact SD-CD1 3.52Å; M1-L6 VanDerWaalsContact SD-CD1 3.52Å; M1-L6 HydrophobicContact SD-CG 4.09Å; M1-L6 PolarHBondContact SD-N 2.79Å; D2-L6 VanDerWaalsContact O-CB 3.27Å; D2-L6 WeakPolarHBondContact O-CB 3.46Å; D2-L6 PolarHBondContact O-N 2.71Å; L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 3.15Å; L6-R8 VanDerWaalsContact C-N 3.31Å; L6-R8 PolarHBondContact O-N 3.01Å; L6-V9 PolarHBondContact O-N 3.26Å; L6-D10 VanDerWaalsContact O-CB 3.31Å; L6-D10 WeakPolarHBondContact O-CB 3.32Å; L6-D10 PolarHBondContact O-N 3.21Å; L6-K136 HydrophobicContact CD1-CB 3.85Å; L6-K136 HydrophobicContact CD1-CD 4.18Å; L6-K136 HydrophobicContact CD2-CB 4.07Å; L6-A138 HydrophobicContact CB-CB 4.45Å; L6-A138 HydrophobicContact CD2-CB 3.64Å; L6-L171 HydrophobicContact CB-CD1 4.4Å; L6-L171 HydrophobicContact CD1-CB 4.35Å; L6-L171 HydrophobicContact CD2-CB 4.04Å; L6-L171 HydrophobicContact CD2-CD1 4.1Å; L6-L171 HydrophobicContact CD2-CG 4.39Å; L6-L171 HydrophobicContact CG-CB 3.97Å; L6-L171 HydrophobicContact CG-CD1 3.74Å; L6-L171 HydrophobicContact CG-CG 4.37Å
7S96.9Very high96.4Very high6 Ų618.8 Ų18.84%0.04210%0.096CC..Hα-helixtrans-58.6-42.717774.10000112.4A3 L4 A5 D10 D11A3-S7 WeakPolarHBondContact O-CB 3.32Å; A3-S7 PolarHBondContact O-N 3.26Å; A3-S7 PolarHBondContact O-OG 3.41Å; L4-S7 PolarHBondContact O-N 3.13Å; L4-S7 PolarHBondContact O-OG 3.4Å; A5-S7 PolarHBondContact O-N 2.99Å; S7-D10 PolarHBondContact O-N 3.12Å; S7-D11 WeakPolarHBondContact O-CB 3.44Å; S7-D11 VanDerWaalsContact O-CG 3.31Å; S7-D11 PolarHBondContact O-N 2.97Å
8R97.5Very high96.4Very high66 Ų6617.8 Ų17.825%0.2499%0.091CC..Hα-helixtrans-70.6-42-178.7-68.1173.7176.31781.6112.1L4 A5 L6 L12 Y72 H76 L78L4-R8 HydrophobicContact CD1-CG 4.28Å; L4-R8 WeakPolarHBondContact O-CG 3.48Å; L4-R8 PolarHBondContact O-N 3.23Å; L4-R8 VanDerWaalsContact O-N 3.1Å; A5-R8 PolarHBondContact O-N 3.43Å; L6-R8 VanDerWaalsContact C-N 3.31Å; L6-R8 PolarHBondContact O-N 3.01Å; R8-L12 PolarHBondContact O-N 2.66Å; R8-Y72 HydrophobicContact CB-CE1 4.3Å; R8-Y72 VanDerWaalsContact O-CE1 3.25Å; R8-Y72 WeakPolarHBondContact O-CE1 3.47Å; R8-Y72 PolarHBondContact O-OH 2.81Å; R8-Y72 VanDerWaalsContact O-OH 3.08Å; R8-H76 PolarHBondContact NH1-O 2.92Å; R8-L78 HydrophobicContact CB-CD1 4.06Å; R8-L78 HydrophobicContact CB-CD2 4.04Å
9V97.9Very high96.5Very high1 Ų118.6 Ų18.61%0.00610%0.096CC..Hα-helixtrans-66.9-39.4177.3173.80000110.7M1 A5 L6 L12 A13 L78 I83 H86M1-V9 HydrophobicContact CE-CB 4.24Å; M1-V9 HydrophobicContact CE-CG1 4.41Å; M1-V9 HydrophobicContact CE-CG2 3.85Å; A5-V9 WeakPolarHBondContact O-CB 3.42Å; A5-V9 VanDerWaalsContact O-CG2 3.29Å; A5-V9 WeakPolarHBondContact O-CG2 3.42Å; A5-V9 PolarHBondContact O-N 3.44Å; L6-V9 PolarHBondContact O-N 3.26Å; V9-L12 WeakPolarHBondContact O-CB 3.45Å; V9-L12 PolarHBondContact O-N 2.98Å; V9-A13 WeakPolarHBondContact O-CB 3.4Å; V9-A13 PolarHBondContact O-N 3.33Å; V9-L78 HydrophobicContact CG2-CD1 3.95Å; V9-L78 HydrophobicContact CG2-CD2 4.12Å; V9-L78 HydrophobicContact CG2-CG 4.43Å; V9-I83 HydrophobicContact CG2-CG1 4.01Å; V9-H86 HydrophobicContact CG1-CB 3.31Å
10D98Very high96.5Very high9 Ų918.1 Ų18.15%0.0489%0.093CC..Hα-helixtrans-69.2-39.7177.7-164.570.3000112.5L6 S7 L12 A13 T14 H86 Y90 L171 G172L6-D10 VanDerWaalsContact O-CB 3.31Å; L6-D10 WeakPolarHBondContact O-CB 3.32Å; L6-D10 PolarHBondContact O-N 3.21Å; S7-D10 PolarHBondContact O-N 3.12Å; D10-L12 VanDerWaalsContact C-N 3.29Å; D10-L12 PolarHBondContact O-N 3.27Å; D10-A13 PolarHBondContact O-N 3.04Å; D10-A13 VanDerWaalsContact O-N 3.17Å; D10-T14 WeakPolarHBondContact O-CB 3.48Å; D10-T14 WeakPolarHBondContact O-CG2 3.34Å; D10-T14 PolarHBondContact O-N 3.09Å; D10-T14 PolarHBondContact O-OG1 3.4Å; D10-H86 IonicContact OD1-CD2 2.98Å; D10-H86 IonicContact OD1-CE1 2.95Å; D10-H86 IonicContact OD1-NE2 2.67Å; D10-H86 PolarHBondContact OD1-NE2 2.81Å; D10-Y90 VanDerWaalsContact OD1-CE2 3.28Å; D10-Y90 WeakPolarHBondContact OD1-CE2 3.4Å; D10-Y90 PolarHBondContact OD1-OH 3.19Å; D10-Y90 PolarHBondContact OD2-OH 3.26Å; D10-L171 HydrophobicContact CB-CB 3.99Å; D10-L171 HydrophobicContact CB-CD1 4.09Å; D10-L171 HydrophobicContact CB-CD2 4.49Å; D10-L171 HydrophobicContact CB-CG 4.41Å; D10-G172 VanDerWaalsContact OD1-CA 3.3Å; D10-G172 WeakPolarHBondContact OD1-CA 3.17Å; D10-G172 PolarHBondContact OD1-N 2.86Å
11D98Very high96.4Very high2 Ų220.3 Ų20.31%0.01111%0.105CC..Hα-helixtrans-59-41.4172.9-79-18.6000112.2S7 T14 H15 K27 M28 N29 F32S7-D11 WeakPolarHBondContact O-CB 3.44Å; S7-D11 VanDerWaalsContact O-CG 3.31Å; S7-D11 PolarHBondContact O-N 2.97Å; D11-T14 WeakPolarHBondContact CA-OG1 3.48Å; D11-T14 PolarHBondContact O-OG1 3.42Å; D11-T14 VanDerWaalsContact O-OG1 3.07Å; D11-H15 VanDerWaalsContact O-CB 3.27Å; D11-H15 WeakPolarHBondContact O-CB 3.2Å; D11-H15 PolarHBondContact O-N 2.79Å; D11-K27 HydrophobicContact CB-CD 4.18Å; D11-K27 VanDerWaalsContact OD1-CA 3.23Å; D11-K27 WeakPolarHBondContact OD1-CA 3.26Å; D11-K27 WeakPolarHBondContact OD1-CB 3.48Å; D11-K27 WeakPolarHBondContact OD1-CD 3.43Å; D11-M28 PolarHBondContact OD1-N 3.39Å; D11-M28 PolarHBondContact OD2-N 3.05Å; D11-N29 WeakPolarHBondContact OD2-CB 3.1Å; D11-N29 PolarHBondContact OD2-N 3.02Å; D11-F32 HydrophobicContact CB-CD2 3.72Å; D11-F32 HydrophobicContact CB-CE2 3.9Å
12L98.5Very high96.7Very high0 Ų019.3 Ų19.30%011%0.108CC..Hα-helixtrans-61.5-49.1173.6175.761.8000111.1R8 V9 D10 H15 L16 F68 V69 Y72 I83R8-L12 PolarHBondContact O-N 2.66Å; V9-L12 WeakPolarHBondContact O-CB 3.45Å; V9-L12 PolarHBondContact O-N 2.98Å; D10-L12 VanDerWaalsContact C-N 3.29Å; D10-L12 PolarHBondContact O-N 3.27Å; L12-H15 WeakPolarHBondContact O-CB 3.44Å; L12-H15 PolarHBondContact O-N 2.97Å; L12-L16 HydrophobicContact CD1-CD1 4.27Å; L12-L16 HydrophobicContact CD1-CG 4.48Å; L12-L16 HydrophobicContact CG-CD1 4.45Å; L12-L16 WeakPolarHBondContact O-CG 3.47Å; L12-L16 PolarHBondContact O-N 3.46Å; L12-L16 VanDerWaalsContact O-N 3.11Å; L12-F68 HydrophobicContact CD1-CD1 3.95Å; L12-F68 HydrophobicContact CD1-CE1 3.52Å; L12-F68 HydrophobicContact CD1-CZ 4.49Å; L12-V69 HydrophobicContact CD1-CG2 4.19Å; L12-V69 HydrophobicContact CD2-CG1 4.21Å; L12-Y72 HydrophobicContact CB-CD1 4.09Å; L12-Y72 HydrophobicContact CB-CE1 3.91Å; L12-Y72 HydrophobicContact CD1-CD1 4.32Å; L12-Y72 HydrophobicContact CD1-CG 4.27Å; L12-Y72 HydrophobicContact CD2-CD1 3.98Å; L12-Y72 HydrophobicContact CG-CD1 4.36Å; L12-I83 HydrophobicContact CD2-CG2 3.94Å
13A98.4Very high96.8Very high0 Ų015.9 Ų15.90%09%0.09CC..Hα-helixtrans-66.3-49.1-177.600000112.1V9 D10 H15 L16 F17 L87 Y90V9-A13 WeakPolarHBondContact O-CB 3.4Å; V9-A13 PolarHBondContact O-N 3.33Å; D10-A13 PolarHBondContact O-N 3.04Å; D10-A13 VanDerWaalsContact O-N 3.17Å; A13-H15 PolarHBondContact O-N 3.27Å; A13-L16 PolarHBondContact O-N 2.92Å; A13-L16 VanDerWaalsContact O-N 3.09Å; A13-F17 HydrophobicContact CB-CD2 4.5Å; A13-F17 WeakPolarHBondContact O-CB 3.45Å; A13-F17 VanDerWaalsContact O-CD2 3.29Å; A13-F17 WeakPolarHBondContact O-CD2 3.5Å; A13-F17 PolarHBondContact O-N 3.42Å; A13-L87 HydrophobicContact CB-CD2 3.94Å; A13-Y90 HydrophobicContact CB-CD2 3.43Å; A13-Y90 VanDerWaalsContact CB-CD2 3.43Å; A13-Y90 HydrophobicContact CB-CE2 3.56Å; A13-Y90 HydrophobicContact CB-CG 4.14Å
14T97.9Very high96.8Very high4 Ų421.9 Ų21.93%0.02512%0.115CC..Hα-helixtrans-59.7-32.4175.355.40000111.9D10 D11 V18 D19 K27 Y90 F176D10-T14 WeakPolarHBondContact O-CB 3.48Å; D10-T14 WeakPolarHBondContact O-CG2 3.34Å; D10-T14 PolarHBondContact O-N 3.09Å; D10-T14 PolarHBondContact O-OG1 3.4Å; D11-T14 WeakPolarHBondContact CA-OG1 3.48Å; D11-T14 PolarHBondContact O-OG1 3.42Å; D11-T14 VanDerWaalsContact O-OG1 3.07Å; T14-V18 VanDerWaalsContact O-CA 3.32Å; T14-V18 WeakPolarHBondContact O-CA 3Å; T14-V18 VanDerWaalsContact O-CB 3.25Å; T14-V18 WeakPolarHBondContact O-CB 3.39Å; T14-V18 PolarHBondContact O-N 2.9Å; T14-D19 PolarHBondContact O-N 3.1Å; T14-K27 PolarHBondContact OG1-NZ 2.89Å; T14-Y90 HydrophobicContact CG2-CE1 4.02Å; T14-Y90 WeakPolarHBondContact CG2-OH 3.37Å; T14-F176 HydrophobicContact CG2-CE2 4.03Å; T14-F176 HydrophobicContact CG2-CZ 4.07Å
15H98.3Very high96.7Very high2 Ų219.6 Ų19.61%0.00910%0.104CC..Iπ-helixtrans-63.8-49.9173-175.255.1000112.1D11 L12 A13 D19 I20 F32 C35 F68D11-H15 VanDerWaalsContact O-CB 3.27Å; D11-H15 WeakPolarHBondContact O-CB 3.2Å; D11-H15 PolarHBondContact O-N 2.79Å; L12-H15 WeakPolarHBondContact O-CB 3.44Å; L12-H15 PolarHBondContact O-N 2.97Å; A13-H15 PolarHBondContact O-N 3.27Å; H15-D19 WeakPolarHBondContact CA-OD2 3.28Å; H15-D19 IonicContact CG-OD2 3.67Å; H15-D19 IonicContact ND1-OD2 2.87Å; H15-D19 PolarHBondContact ND1-OD2 3.29Å; H15-I20 VanDerWaalsContact O-CG1 3.29Å; H15-I20 WeakPolarHBondContact O-CG1 3.39Å; H15-I20 PolarHBondContact O-N 3.17Å; H15-F32 HydrophobicContact CB-CE1 3.7Å; H15-F32 HydrophobicContact CB-CZ 3.48Å; H15-F32 VanDerWaalsContact CB-CZ 3.48Å; H15-F32 AromaticContact CG-CE1 3.59Å; H15-F32 AromaticContact CG-CZ 3.69Å; H15-F32 AromaticContact ND1-CE1 3.81Å; H15-C35 PolarHBondContact NE2-N 3.06Å; H15-C35 PolarHBondContact NE2-SG 3.38Å; H15-F68 AromaticContact CD2-CE1 3.73Å; H15-F68 AromaticContact CD2-CZ 4Å
16L98.4Very high96.5Very high0 Ų020.9 Ų20.90%011%0.107CC..Iπ-helixtrans-67.1-41-178.2-64.9176.8000112.6L12 A13 I20 C43 L66 V69 L87L12-L16 HydrophobicContact CD1-CD1 4.27Å; L12-L16 HydrophobicContact CD1-CG 4.48Å; L12-L16 HydrophobicContact CG-CD1 4.45Å; L12-L16 WeakPolarHBondContact O-CG 3.47Å; L12-L16 PolarHBondContact O-N 3.46Å; L12-L16 VanDerWaalsContact O-N 3.11Å; A13-L16 PolarHBondContact O-N 2.92Å; A13-L16 VanDerWaalsContact O-N 3.09Å; L16-I20 HydrophobicContact CD2-CD1 4.16Å; L16-C43 PolarHBondContact O-SG 2.95Å; L16-C43 VanDerWaalsContact O-SG 3.4Å; L16-L66 HydrophobicContact CD2-CD1 4.27Å; L16-V69 HydrophobicContact CD1-CG2 3.74Å; L16-L87 HydrophobicContact CD1-CD2 3.93Å
17F98Very high96.4Very high0 Ų021.9 Ų21.90%011%0.111CC..Iπ-helixtrans-100.6-21.5-169.8-70.8-78.5000114.3A13 L21 L47 L63 L87 Y90 L91 Y94A13-F17 HydrophobicContact CB-CD2 4.5Å; A13-F17 WeakPolarHBondContact O-CB 3.45Å; A13-F17 VanDerWaalsContact O-CD2 3.29Å; A13-F17 WeakPolarHBondContact O-CD2 3.5Å; A13-F17 PolarHBondContact O-N 3.42Å; F17-L21 WeakPolarHBondContact O-CD1 3.46Å; F17-L47 HydrophobicContact CD1-CD1 3.99Å; F17-L47 HydrophobicContact CD1-CD2 4.08Å; F17-L47 HydrophobicContact CE1-CD1 4.15Å; F17-L47 HydrophobicContact CE1-CD2 3.44Å; F17-L47 VanDerWaalsContact CE1-CD2 3.44Å; F17-L47 HydrophobicContact CE1-CG 4.46Å; F17-L47 HydrophobicContact CZ-CD2 4.27Å; F17-L63 HydrophobicContact CE1-CD1 4.18Å; F17-L63 HydrophobicContact CE2-CD1 4.18Å; F17-L63 HydrophobicContact CZ-CD1 3.45Å; F17-L63 VanDerWaalsContact CZ-CD1 3.45Å; F17-L87 HydrophobicContact CD2-CD2 4.49Å; F17-L87 HydrophobicContact CE2-CB 4.12Å; F17-L87 HydrophobicContact CE2-CD2 3.84Å; F17-L87 WeakPolarHBondContact CE2-O 3.42Å; F17-L87 WeakPolarHBondContact CZ-O 3.45Å; F17-Y90 HydrophobicContact CB-CD1 3.98Å; F17-Y90 HydrophobicContact CB-CG 4.29Å; F17-Y90 HydrophobicContact CD2-CG 4.05Å; F17-Y90 HydrophobicContact CG-CD1 4.5Å; F17-Y90 HydrophobicContact CG-CG 4.32Å; F17-L91 HydrophobicContact CE1-CB 3.92Å; F17-L91 HydrophobicContact CE1-CD1 3.79Å; F17-L91 HydrophobicContact CE1-CG 4.5Å; F17-L91 HydrophobicContact CZ-CB 3.87Å; F17-L91 HydrophobicContact CZ-CD1 4.2Å; F17-Y94 HydrophobicContact CB-CE2 4Å; F17-Y94 AromaticContact CD1-CD2 3.85Å; F17-Y94 HydrophobicContact CD1-CD2 3.85Å; F17-Y94 AromaticContact CD1-CE2 3.84Å; F17-Y94 HydrophobicContact CD1-CE2 3.84Å; F17-Y94 HydrophobicContact CE1-CD2 4.5Å; F17-Y94 HydrophobicContact CG-CE2 4.39Å; F17-Y94 VanDerWaalsContact O-CZ 3.28Å; F17-Y94 PolarHBondContact O-OH 2.93Å
18V97.2Very high96.3Very high1 Ų122.1 Ų22.11%0.00611%0.111CC..Iπ-helixtrans-115.9-55.7-176.5-172.80000110.7T14 I20 L21 A22 F23 C25 Y90 F176T14-V18 VanDerWaalsContact O-CA 3.32Å; T14-V18 WeakPolarHBondContact O-CA 3Å; T14-V18 VanDerWaalsContact O-CB 3.25Å; T14-V18 WeakPolarHBondContact O-CB 3.39Å; T14-V18 PolarHBondContact O-N 2.9Å; V18-I20 VanDerWaalsContact C-N 3.3Å; V18-I20 PolarHBondContact O-N 2.93Å; V18-L21 PolarHBondContact O-N 3.32Å; V18-A22 PolarHBondContact O-N 3.21Å; V18-F23 CarbonylContact C-O 3.22Å; V18-F23 HydrophobicContact CG1-CD1 4.32Å; V18-F23 HydrophobicContact CG1-CD2 4.32Å; V18-F23 HydrophobicContact CG1-CE1 3.85Å; V18-F23 HydrophobicContact CG1-CE2 3.86Å; V18-F23 HydrophobicContact CG1-CZ 3.57Å; V18-F23 PolarHBondContact O-N 3.38Å; V18-C25 HydrophobicContact CG1-CB 4.39Å; V18-Y90 HydrophobicContact CG2-CE1 4.33Å; V18-F176 HydrophobicContact CB-CZ 4.35Å; V18-F176 HydrophobicContact CG1-CE1 4.16Å; V18-F176 HydrophobicContact CG1-CZ 4.12Å; V18-F176 HydrophobicContact CG2-CE2 4.08Å; V18-F176 HydrophobicContact CG2-CZ 3.78Å
19D97.1Very high96.1Very high34 Ų3421.4 Ų21.418%0.18211%0.113CC..Iπ-helixtrans-60.6-39.1-177.5-62.1-19.5000112.7T14 H15 F23 C25 K27T14-D19 PolarHBondContact O-N 3.1Å; H15-D19 WeakPolarHBondContact CA-OD2 3.28Å; H15-D19 IonicContact CG-OD2 3.67Å; H15-D19 IonicContact ND1-OD2 2.87Å; H15-D19 PolarHBondContact ND1-OD2 3.29Å; D19-F23 VanDerWaalsContact CA-O 3.3Å; D19-F23 WeakPolarHBondContact CA-O 3.32Å; D19-C25 PolarHBondContact OD1-N 3.31Å; D19-C25 PolarHBondContact OD1-SG 3.14Å; D19-K27 IonicContact OD1-NZ 3.56Å; D19-K27 PolarHBondContact OD1-NZ 3Å; D19-K27 WeakPolarHBondContact OD2-CE 3.39Å; D19-K27 IonicContact OD2-NZ 2.78Å; D19-K27 PolarHBondContact OD2-NZ 3.02Å
20I97.2Very high95.8Very high7 Ų724 Ų244%0.03613%0.126CC..THydrogen-bonded Turntrans-75.2-27.4-177.1-69.5173.9000112.1H15 L16 V18 K40 C43 R44H15-I20 VanDerWaalsContact O-CG1 3.29Å; H15-I20 WeakPolarHBondContact O-CG1 3.39Å; H15-I20 PolarHBondContact O-N 3.17Å; L16-I20 HydrophobicContact CD2-CD1 4.16Å; V18-I20 VanDerWaalsContact C-N 3.3Å; V18-I20 PolarHBondContact O-N 2.93Å; I20-K40 HydrophobicContact CD1-CB 4.28Å; I20-K40 HydrophobicContact CD1-CG 3.92Å; I20-K40 HydrophobicContact CG1-CB 4.37Å; I20-K40 HydrophobicContact CG1-CD 4.27Å; I20-K40 HydrophobicContact CG1-CG 3.92Å; I20-K40 HydrophobicContact CG2-CB 4.35Å; I20-C43 HydrophobicContact CD1-CB 4.11Å; I20-R44 HydrophobicContact CG2-CG 3.71Å; I20-R44 PolarHBondContact O-NE 2.83Å; I20-R44 PolarHBondContact O-NH2 2.96Å
21L95.3Very high95.6Very high65 Ų6529.4 Ų29.434%0.3416%0.155SC..THydrogen-bonded Turntrans-114.6-28.7-164.8-57.3175.9000114.3F17 V18 R44 L47 Y94F17-L21 WeakPolarHBondContact O-CD1 3.46Å; V18-L21 PolarHBondContact O-N 3.32Å; L21-R44 HydrophobicContact CD2-CG 3.91Å; L21-L47 HydrophobicContact CD1-CD1 3.28Å; L21-L47 HydrophobicContact CD2-CD1 4.19Å; L21-L47 HydrophobicContact CG-CD1 4.18Å; L21-Y94 HydrophobicContact CD1-CD1 4.33Å; L21-Y94 HydrophobicContact CD1-CE1 3.71Å; L21-Y94 HydrophobicContact CD1-CE2 4.19Å
22A92.2Very high95.5Very high52 Ų5230.5 Ų30.543%0.4316%0.16SC..THydrogen-bonded Turntrans-128.8-73.1-169.100000112V18V18-A22 PolarHBondContact O-N 3.21Å
23F94.4Very high95.4Very high9 Ų936.8 Ų36.84%0.03919%0.189CC..  trans-157.2157.6-175.857.1-86.5000109.6V18 D19 C25 V102 A103 A104 Q114 G115 F176V18-F23 CarbonylContact C-O 3.22Å; V18-F23 HydrophobicContact CG1-CD1 4.32Å; V18-F23 HydrophobicContact CG1-CD2 4.32Å; V18-F23 HydrophobicContact CG1-CE1 3.85Å; V18-F23 HydrophobicContact CG1-CE2 3.86Å; V18-F23 HydrophobicContact CG1-CZ 3.57Å; V18-F23 PolarHBondContact O-N 3.38Å; D19-F23 VanDerWaalsContact CA-O 3.3Å; D19-F23 WeakPolarHBondContact CA-O 3.32Å; F23-C25 HydrophobicContact CD2-CB 4.35Å; F23-C25 HydrophobicContact CE2-CB 3.92Å; F23-C25 PolarHBondContact O-N 3.15Å; F23-V102 HydrophobicContact CE1-CG2 4.03Å; F23-V102 HydrophobicContact CZ-CG2 4.14Å; F23-A103 VanDerWaalsContact CE1-C 3.4Å; F23-A103 WeakPolarHBondContact CE1-O 3.1Å; F23-A104 HydrophobicContact CB-CB 4.05Å; F23-A104 HydrophobicContact CD1-CB 3.67Å; F23-A104 HydrophobicContact CE1-CB 4.38Å; F23-A104 HydrophobicContact CG-CB 3.89Å; F23-Q114 HydrophobicContact CB-CB 4.3Å; F23-Q114 HydrophobicContact CD2-CB 3.96Å; F23-Q114 WeakPolarHBondContact CD2-O 3.39Å; F23-Q114 WeakPolarHBondContact CE2-O 3.25Å; F23-Q114 HydrophobicContact CG-CB 4.39Å; F23-G115 WeakPolarHBondContact CE2-O 3.25Å; F23-F176 HydrophobicContact CE2-CE1 4.18Å; F23-F176 HydrophobicContact CZ-CD1 4.21Å; F23-F176 AromaticContact CZ-CE1 3.9Å; F23-F176 HydrophobicContact CZ-CE1 3.9Å
24K94.4Very high95.3Very high125 Ų12540.4 Ų40.454%0.54321%0.212SC..  trans-75.8112.3175.9-174.4-178.8175.5-1600109.8F112 W113 Q114K24-F112 WeakPolarHBondContact CD-O 3.22Å; K24-F112 PolarHBondContact NZ-O 2.92Å; K24-W113 WeakPolarHBondContact O-CA 3.28Å; K24-Q114 PolarHBondContact O-N 3.31Å
25C93.2Very high95.3Very high7 Ų740.5 Ų40.55%0.04721%0.213CC..  trans-90.8171.1177.472.50000111.7V18 D19 F23 K27 F176V18-C25 HydrophobicContact CG1-CB 4.39Å; D19-C25 PolarHBondContact OD1-N 3.31Å; D19-C25 PolarHBondContact OD1-SG 3.14Å; F23-C25 HydrophobicContact CD2-CB 4.35Å; F23-C25 HydrophobicContact CE2-CB 3.92Å; F23-C25 PolarHBondContact O-N 3.15Å; C25-K27 PolarHBondContact SG-NZ 3.17Å; C25-F176 HydrophobicContact CB-CE1 4.2Å; C25-F176 HydrophobicContact CB-CZ 4.36Å
26H91.1Very high95.2Very high46 Ų4643.5 Ų43.521%0.21323%0.233CC..  trans-70.1164.816969.3-89.7000110.6W113 F156H26-W113 HydrophobicContact CB-CD2 3.87Å; H26-W113 HydrophobicContact CB-CE3 4.28Å; H26-W113 HydrophobicContact CB-CG 4Å; H26-F156 AromaticContact CD2-CD2 3.65Å; H26-F156 AromaticContact CE1-CD2 3.69Å; H26-F156 AromaticContact CE1-CG 3.97Å; H26-F156 AromaticContact CG-CD2 3.82Å; H26-F156 AromaticContact ND1-CD2 3.84Å; H26-F156 AromaticContact NE2-CD2 3.57Å
27K94.5Very high95.1Very high23 Ų2352.3 Ų52.310%0.127%0.267CS..  trans-128.9150.9179.1-60.2-61.1177.9-158.60109.8D11 T14 D19 C25 N29 F32D11-K27 HydrophobicContact CB-CD 4.18Å; D11-K27 VanDerWaalsContact OD1-CA 3.23Å; D11-K27 WeakPolarHBondContact OD1-CA 3.26Å; D11-K27 WeakPolarHBondContact OD1-CB 3.48Å; D11-K27 WeakPolarHBondContact OD1-CD 3.43Å; T14-K27 PolarHBondContact OG1-NZ 2.89Å; D19-K27 IonicContact OD1-NZ 3.56Å; D19-K27 PolarHBondContact OD1-NZ 3Å; D19-K27 WeakPolarHBondContact OD2-CE 3.39Å; D19-K27 IonicContact OD2-NZ 2.78Å; D19-K27 PolarHBondContact OD2-NZ 3.02Å; C25-K27 PolarHBondContact SG-NZ 3.17Å; K27-N29 WeakPolarHBondContact CB-O 3.33Å; K27-F32 HydrophobicContact CB-CB 4.06Å; K27-F32 HydrophobicContact CD-CD1 4.31Å; K27-F32 HydrophobicContact CD-CG 4.32Å; K27-F32 HydrophobicContact CG-CB 3.88Å; K27-F32 HydrophobicContact CG-CD1 4.19Å; K27-F32 HydrophobicContact CG-CG 4.08Å
28M94.6Very high95.1Very high11 Ų1158.6 Ų58.65%0.05429%0.294CS..SBendtrans-69.7-44.8171-66.3-56.3-56.600110.6D11 L30 I149 N154 L169 L171D11-M28 PolarHBondContact OD1-N 3.39Å; D11-M28 PolarHBondContact OD2-N 3.05Å; M28-L30 PolarHBondContact O-N 3.19Å; M28-I149 HydrophobicContact CE-CD1 3.64Å; M28-N154 HydrophobicContact CE-CB 4.31Å; M28-N154 WeakPolarHBondContact CE-O 3.38Å; M28-N154 PolarHBondContact O-ND2 3.39Å; M28-N154 HydrophobicContact SD-CB 4.23Å; M28-L169 HydrophobicContact CE-CD1 4.03Å; M28-L169 HydrophobicContact CE-CD2 3.82Å; M28-L171 HydrophobicContact CG-CD1 4.27Å; M28-L171 HydrophobicContact CG-CD2 4.23Å; M28-L171 HydrophobicContact SD-CD2 4.32Å
29N94.5Very high95.1Very high51 Ų5159.3 Ų59.327%0.27330%0.299SS..SBendtrans-79.9106.6169.2-177.61.1000109.9D11 K27 N31 F32D11-N29 WeakPolarHBondContact OD2-CB 3.1Å; D11-N29 PolarHBondContact OD2-N 3.02Å; K27-N29 WeakPolarHBondContact CB-O 3.33Å; N29-N31 PolarHBondContact O-N 3.33Å; N29-N31 VanDerWaalsContact O-N 3.08Å; N29-N31 PolarHBondContact OD1-N 3.38Å; N29-F32 HydrophobicContact CB-CB 4.41Å; N29-F32 VanDerWaalsContact O-CB 3.25Å; N29-F32 WeakPolarHBondContact O-CB 3.49Å; N29-F32 PolarHBondContact O-N 3.4Å
30L91.7Very high95.2Very high57 Ų5760.9 Ų60.930%0.29830%0.304SS..THydrogen-bonded Turntrans-63-17.6179.9-59.8172.9000113.6M28 V150 R153 N154M28-L30 PolarHBondContact O-N 3.19Å; L30-V150 HydrophobicContact CD1-CB 4.11Å; L30-V150 HydrophobicContact CD1-CG2 3.78Å; L30-R153 HydrophobicContact CD1-CB 4.4Å; L30-R153 HydrophobicContact CD2-CB 3.89Å; L30-N154 HydrophobicContact CD2-CB 4.24Å
31N93.2Very high95.2Very high121 Ų12170 Ų7065%0.64734%0.338SS*.THydrogen-bonded Turntrans-107.729.5174.9-61.9-32.9000111.5N29 H33N29-N31 PolarHBondContact O-N 3.33Å; N29-N31 VanDerWaalsContact O-N 3.08Å; N29-N31 PolarHBondContact OD1-N 3.38Å; N31-H33 PolarHBondContact O-CE1 3.47Å; N31-H33 VanDerWaalsContact O-CE1 3.26Å; N31-H33 PolarHBondContact O-N 2.81Å; N31-H33 PolarHBondContact O-ND1 3.38Å
32F95.9Very high95.4Very high25 Ų2574.9 Ų74.911%0.1135%0.352CS..  trans-61.4130175.5-179.3-93.1000111D11 H15 K27 N29 P34 F68 Y72D11-F32 HydrophobicContact CB-CD2 3.72Å; D11-F32 HydrophobicContact CB-CE2 3.9Å; H15-F32 HydrophobicContact CB-CE1 3.7Å; H15-F32 HydrophobicContact CB-CZ 3.48Å; H15-F32 VanDerWaalsContact CB-CZ 3.48Å; H15-F32 AromaticContact CG-CE1 3.59Å; H15-F32 AromaticContact CG-CZ 3.69Å; H15-F32 AromaticContact ND1-CE1 3.81Å; K27-F32 HydrophobicContact CB-CB 4.06Å; K27-F32 HydrophobicContact CD-CD1 4.31Å; K27-F32 HydrophobicContact CD-CG 4.32Å; K27-F32 HydrophobicContact CG-CB 3.88Å; K27-F32 HydrophobicContact CG-CD1 4.19Å; K27-F32 HydrophobicContact CG-CG 4.08Å; N29-F32 HydrophobicContact CB-CB 4.41Å; N29-F32 VanDerWaalsContact O-CB 3.25Å; N29-F32 WeakPolarHBondContact O-CB 3.49Å; N29-F32 PolarHBondContact O-N 3.4Å; F32-P34 HydrophobicContact CD1-CG 4.47Å; F32-P34 HydrophobicContact CE1-CG 4.49Å; F32-P34 WeakPolarHBondContact O-CD 3.27Å; F32-F68 HydrophobicContact CZ-CZ 4.05Å; F32-Y72 AromaticContact CD2-CE2 3.97Å; F32-Y72 HydrophobicContact CD2-CE2 3.97Å; F32-Y72 HydrophobicContact CE2-CD2 4.42Å; F32-Y72 AromaticContact CE2-CE2 3.57Å; F32-Y72 HydrophobicContact CE2-CE2 3.57Å; F32-Y72 AromaticContact CE2-CZ 3.91Å
33H95.8Very high95.7Very high132 Ų13272.4 Ų72.461%0.61133%0.331SS*.  trans-104.1112.6179.9-71.673.9000110.4N31N31-H33 PolarHBondContact O-CE1 3.47Å; N31-H33 VanDerWaalsContact O-CE1 3.26Å; N31-H33 PolarHBondContact O-N 2.81Å; N31-H33 PolarHBondContact O-ND1 3.38Å
34P96.4Very high95.9Very high76 Ų7677.9 Ų77.949%0.49435%0.352SS..PPolyproline II helixtrans-61.9154.7178.1-26.737.3000113.9F32F32-P34 HydrophobicContact CD1-CG 4.47Å; F32-P34 HydrophobicContact CE1-CG 4.49Å; F32-P34 WeakPolarHBondContact O-CD 3.27Å
35C97Very high96.1Very high7 Ų774.2 Ų74.25%0.04735%0.345CS..PPolyproline II helixtrans-71160.5173.675.90000113H15 T39 K40 F68H15-C35 PolarHBondContact NE2-N 3.06Å; H15-C35 PolarHBondContact NE2-SG 3.38Å; C35-T39 HydrophobicContact CB-CG2 3.72Å; C35-T39 VanDerWaalsContact SG-CG2 3.57Å; C35-K40 VanDerWaalsContact O-CE 3.27Å; C35-K40 WeakPolarHBondContact O-CE 3.06Å; C35-K40 WeakPolarHBondContact SG-CG 3.5Å; C35-F68 HydrophobicContact CB-CB 3.95Å; C35-F68 HydrophobicContact CB-CD1 3.67Å; C35-F68 HydrophobicContact CB-CD2 3.37Å; C35-F68 HydrophobicContact CB-CE1 3.93Å; C35-F68 HydrophobicContact CB-CE2 3.66Å; C35-F68 HydrophobicContact CB-CG 3.36Å; C35-F68 HydrophobicContact CB-CZ 3.93Å
36C97Very high96.3Very high64 Ų6474.6 Ų74.643%0.43235%0.346SS..PPolyproline II helixtrans-71.4164.717674.60000112.4K38 T39 K40C36-K38 PolarHBondContact O-N 3.5Å; C36-T39 PolarHBondContact O-N 3.41Å; C36-T39 VanDerWaalsContact O-N 3.12Å; C36-K40 PolarHBondContact O-N 3.11Å; C36-K40 VanDerWaalsContact O-N 3.11Å
37W97Very high96.7Very high185 Ų18572.7 Ų72.770%0.70134%0.338SS*.Hα-helixtrans-59.6-31-176.974.596.3000113.7K40 R41W37-K40 PolarHBondContact O-N 3.44Å; W37-R41 PolarHBondContact O-N 2.99Å
38K97.8Very high96.8Very high132 Ų13277.1 Ų77.157%0.57436%0.357SS*.Hα-helixtrans-63.2-45.2177.2-63.6-178-177.5176.40110.8C36 R41 R42C36-K38 PolarHBondContact O-N 3.5Å; K38-R41 PolarHBondContact O-N 2.91Å; K38-R42 PolarHBondContact O-N 3.37Å; K38-R42 VanDerWaalsContact O-N 3.07Å
39T97.8Very high97Very high16 Ų1679.4 Ų79.410%0.09837%0.369CS..Hα-helixtrans-63.4-43.2174.2-58.60000110.9C35 C36 R41 R42 C43 L66 F68C35-T39 HydrophobicContact CB-CG2 3.72Å; C35-T39 VanDerWaalsContact SG-CG2 3.57Å; C36-T39 PolarHBondContact O-N 3.41Å; C36-T39 VanDerWaalsContact O-N 3.12Å; T39-R41 VanDerWaalsContact C-N 3.32Å; T39-R41 PolarHBondContact O-N 3.02Å; T39-R42 PolarHBondContact O-N 2.92Å; T39-C43 WeakPolarHBondContact O-CB 3.47Å; T39-C43 PolarHBondContact O-N 3.13Å; T39-L66 HydrophobicContact CG2-CB 4.46Å; T39-L66 HydrophobicContact CG2-CD1 4.17Å; T39-F68 HydrophobicContact CG2-CB 3.67Å; T39-F68 HydrophobicContact CG2-CG 4.35Å
40K98.3Very high97.2Very high67 Ų6777 Ų7729%0.29136%0.357SS..Hα-helixtrans-58.4-43.1176-59.9-174.1-177.8177.40112.4I20 C35 C36 W37 C43 R44I20-K40 HydrophobicContact CD1-CB 4.28Å; I20-K40 HydrophobicContact CD1-CG 3.92Å; I20-K40 HydrophobicContact CG1-CB 4.37Å; I20-K40 HydrophobicContact CG1-CD 4.27Å; I20-K40 HydrophobicContact CG1-CG 3.92Å; I20-K40 HydrophobicContact CG2-CB 4.35Å; C35-K40 VanDerWaalsContact O-CE 3.27Å; C35-K40 WeakPolarHBondContact O-CE 3.06Å; C35-K40 WeakPolarHBondContact SG-CG 3.5Å; C36-K40 PolarHBondContact O-N 3.11Å; C36-K40 VanDerWaalsContact O-N 3.11Å; W37-K40 PolarHBondContact O-N 3.44Å; K40-C43 PolarHBondContact O-N 3Å; K40-R44 WeakPolarHBondContact O-CG 3.38Å; K40-R44 PolarHBondContact O-N 2.98Å
41R98.2Very high97.5Very high200 Ų20077.4 Ų77.476%0.75536%0.361SS*.Hα-helixtrans-62.5-44.5176.9-176.1178.3177.3-179.6-1.1111.7W37 K38 T39 R44 A45W37-R41 PolarHBondContact O-N 2.99Å; K38-R41 PolarHBondContact O-N 2.91Å; T39-R41 VanDerWaalsContact C-N 3.32Å; T39-R41 PolarHBondContact O-N 3.02Å; R41-R44 PolarHBondContact O-N 3.14Å; R41-A45 PolarHBondContact O-N 3.36Å; R41-A45 VanDerWaalsContact O-N 3.12Å
42R98.4Very high97.6Very high166 Ų16678 Ų7863%0.62636%0.36SS*.Hα-helixtrans-64.3-46.2176.8-72-177.9177.1-178.9-1.2111.8K38 T39 R44 A45 I46 L66K38-R42 PolarHBondContact O-N 3.37Å; K38-R42 VanDerWaalsContact O-N 3.07Å; T39-R42 PolarHBondContact O-N 2.92Å; R42-R44 VanDerWaalsContact C-N 3.34Å; R42-R44 PolarHBondContact O-N 3.1Å; R42-A45 WeakPolarHBondContact O-CB 3.43Å; R42-A45 PolarHBondContact O-N 3.13Å; R42-A45 VanDerWaalsContact O-N 3.08Å; R42-I46 WeakPolarHBondContact O-CG1 3.06Å; R42-I46 PolarHBondContact O-N 2.85Å; R42-L66 HydrophobicContact CB-CD2 3.71Å
43C98.6Very high97.7Very high0 Ų080.2 Ų80.20%037%0.373CS..Hα-helixtrans-55.2-48.1175.6178.20000111.6L16 I20 T39 K40 A45 I46 L47 L66L16-C43 PolarHBondContact O-SG 2.95Å; L16-C43 VanDerWaalsContact O-SG 3.4Å; I20-C43 HydrophobicContact CD1-CB 4.11Å; T39-C43 WeakPolarHBondContact O-CB 3.47Å; T39-C43 PolarHBondContact O-N 3.13Å; K40-C43 PolarHBondContact O-N 3Å; C43-A45 VanDerWaalsContact C-N 3.3Å; C43-A45 PolarHBondContact O-N 2.7Å; C43-I46 PolarHBondContact O-N 3.18Å; C43-L47 WeakPolarHBondContact O-CG 3.46Å; C43-L47 PolarHBondContact O-N 3.24Å; C43-L66 HydrophobicContact CB-CD1 4.21Å
44R98.4Very high97.7Very high125 Ų12575.2 Ų75.247%0.47236%0.357SS..Hα-helixtrans-59.9-37.8175.4-71.7-175.3-172.4120.6-0.2113.5I20 L21 K40 R41 R42 K48I20-R44 HydrophobicContact CG2-CG 3.71Å; I20-R44 PolarHBondContact O-NE 2.83Å; I20-R44 PolarHBondContact O-NH2 2.96Å; L21-R44 HydrophobicContact CD2-CG 3.91Å; K40-R44 WeakPolarHBondContact O-CG 3.38Å; K40-R44 PolarHBondContact O-N 2.98Å; R41-R44 PolarHBondContact O-N 3.14Å; R42-R44 VanDerWaalsContact C-N 3.34Å; R42-R44 PolarHBondContact O-N 3.1Å; R44-K48 VanDerWaalsContact O-CB 3.26Å; R44-K48 WeakPolarHBondContact O-CB 3.42Å; R44-K48 PolarHBondContact O-N 3.38Å
45A98.4Very high97.8Very high48 Ų4874.4 Ų74.440%0.39735%0.348SS..Hα-helixtrans-66.5-45177.200000111.6R41 R42 C43 L47 K48 N49R41-A45 PolarHBondContact O-N 3.36Å; R41-A45 VanDerWaalsContact O-N 3.12Å; R42-A45 WeakPolarHBondContact O-CB 3.43Å; R42-A45 PolarHBondContact O-N 3.13Å; R42-A45 VanDerWaalsContact O-N 3.08Å; C43-A45 VanDerWaalsContact C-N 3.3Å; C43-A45 PolarHBondContact O-N 2.7Å; A45-L47 VanDerWaalsContact C-N 3.34Å; A45-L47 PolarHBondContact O-N 2.55Å; A45-K48 PolarHBondContact O-N 2.75Å; A45-N49 VanDerWaalsContact O-CG 3.26Å; A45-N49 PolarHBondContact O-N 2.83Å; A45-N49 PolarHBondContact O-OD1 3.15Å
46I98.7Very high97.8Very high14 Ų1476.8 Ų76.87%0.07236%0.359CS..Hα-helixtrans-58.5-48.1176.9-62.8161.8000110.4R42 C43 K48 N49 F50 A59 Q62 L63 L66R42-I46 WeakPolarHBondContact O-CG1 3.06Å; R42-I46 PolarHBondContact O-N 2.85Å; C43-I46 PolarHBondContact O-N 3.18Å; I46-K48 PolarHBondContact O-N 3.32Å; I46-N49 PolarHBondContact O-N 3.17Å; I46-F50 PolarHBondContact O-N 3.2Å; I46-A59 HydrophobicContact CG2-CB 4.31Å; I46-Q62 HydrophobicContact CD1-CB 3.79Å; I46-Q62 HydrophobicContact CG1-CB 3.87Å; I46-Q62 HydrophobicContact CG2-CB 3.92Å; I46-L63 HydrophobicContact CB-CD2 4.49Å; I46-L63 HydrophobicContact CD1-CD2 4.15Å; I46-L63 HydrophobicContact CG2-CD2 4.24Å; I46-L63 HydrophobicContact CG2-CG 4.01Å; I46-L66 HydrophobicContact CD1-CD1 4.37Å; I46-L66 HydrophobicContact CD1-CD2 3.98Å; I46-L66 HydrophobicContact CD1-CG 4.23Å
47L98Very high97.9Very high7 Ų777.3 Ų77.34%0.03737%0.368CS..Hα-helixtrans-70.7-31.7-178.5-62.2-180000113F17 L21 C43 A45 F50 V51 L63 L91F17-L47 HydrophobicContact CD1-CD1 3.99Å; F17-L47 HydrophobicContact CD1-CD2 4.08Å; F17-L47 HydrophobicContact CE1-CD1 4.15Å; F17-L47 HydrophobicContact CE1-CD2 3.44Å; F17-L47 VanDerWaalsContact CE1-CD2 3.44Å; F17-L47 HydrophobicContact CE1-CG 4.46Å; F17-L47 HydrophobicContact CZ-CD2 4.27Å; L21-L47 HydrophobicContact CD1-CD1 3.28Å; L21-L47 HydrophobicContact CD2-CD1 4.19Å; L21-L47 HydrophobicContact CG-CD1 4.18Å; C43-L47 WeakPolarHBondContact O-CG 3.46Å; C43-L47 PolarHBondContact O-N 3.24Å; A45-L47 VanDerWaalsContact C-N 3.34Å; A45-L47 PolarHBondContact O-N 2.55Å; L47-F50 PolarHBondContact O-N 2.97Å; L47-V51 VanDerWaalsContact O-CG2 3.27Å; L47-V51 WeakPolarHBondContact O-CG2 3.23Å; L47-V51 PolarHBondContact O-N 3.31Å; L47-V51 VanDerWaalsContact O-N 3.07Å; L47-L63 HydrophobicContact CD2-CD1 4.26Å; L47-L91 HydrophobicContact CD2-CD1 3.52Å
48K98Very high97.9Very high115 Ų11572.1 Ų72.150%0.535%0.348SS..Hα-helixtrans-61.5-46170.8-177.9177.7178.2-65.70111R44 A45 I46 V51 E52R44-K48 VanDerWaalsContact O-CB 3.26Å; R44-K48 WeakPolarHBondContact O-CB 3.42Å; R44-K48 PolarHBondContact O-N 3.38Å; A45-K48 PolarHBondContact O-N 2.75Å; I46-K48 PolarHBondContact O-N 3.32Å; K48-V51 PolarHBondContact O-N 3.45Å; K48-E52 IonicContact NZ-OE1 3.82Å; K48-E52 PolarHBondContact NZ-OE1 2.98Å; K48-E52 IonicContact NZ-OE2 2.82Å; K48-E52 WeakPolarHBondContact O-CG 3.39Å; K48-E52 PolarHBondContact O-N 3.22Å
49N98.2Very high98Very high60 Ų6066 Ų6632%0.32132%0.322SS..Hα-helixtrans-64.3-43.7178.6-63.4-9000111A45 I46 V51 E52 D53A45-N49 VanDerWaalsContact O-CG 3.26Å; A45-N49 PolarHBondContact O-N 2.83Å; A45-N49 PolarHBondContact O-OD1 3.15Å; I46-N49 PolarHBondContact O-N 3.17Å; N49-V51 VanDerWaalsContact C-N 3.29Å; N49-V51 PolarHBondContact O-N 3.27Å; N49-E52 WeakPolarHBondContact O-CA 3.49Å; N49-E52 WeakPolarHBondContact O-CB 3.27Å; N49-E52 PolarHBondContact O-N 3.08Å; N49-D53 PolarHBondContact O-N 3.28Å
50F98.4Very high98Very high1 Ų166 Ų660%0.00432%0.322CS..Hα-helixtrans-57.2-40.1175.6171.9-107.6000113.1I46 L47 E52 G54 E56 A59 L91 H95I46-F50 PolarHBondContact O-N 3.2Å; L47-F50 PolarHBondContact O-N 2.97Å; F50-E52 PolarHBondContact O-N 3.18Å; F50-G54 VanDerWaalsContact O-CA 3.32Å; F50-G54 WeakPolarHBondContact O-CA 3.39Å; F50-G54 PolarHBondContact O-N 3.21Å; F50-E56 HydrophobicContact CE2-CB 4.43Å; F50-E56 HydrophobicContact CE2-CG 3.8Å; F50-E56 HydrophobicContact CZ-CG 4.25Å; F50-A59 HydrophobicContact CB-CB 3.92Å; F50-A59 HydrophobicContact CD2-CB 3.92Å; F50-A59 HydrophobicContact CG-CB 4.14Å; F50-L91 HydrophobicContact CB-CD1 4.25Å; F50-L91 HydrophobicContact CD1-CD1 3.41Å; F50-L91 VanDerWaalsContact CD1-CD1 3.41Å; F50-L91 HydrophobicContact CD1-CG 3.91Å; F50-L91 HydrophobicContact CD2-CD1 4.1Å; F50-L91 HydrophobicContact CD2-CD2 4.01Å; F50-L91 HydrophobicContact CD2-CG 4.15Å; F50-L91 HydrophobicContact CE1-CD1 3.69Å; F50-L91 HydrophobicContact CE1-CD2 4.5Å; F50-L91 HydrophobicContact CE1-CG 3.67Å; F50-L91 WeakPolarHBondContact CE1-O 3.4Å; F50-L91 HydrophobicContact CE2-CD1 4.35Å; F50-L91 HydrophobicContact CE2-CD2 3.88Å; F50-L91 HydrophobicContact CE2-CG 3.93Å; F50-L91 HydrophobicContact CG-CD1 3.63Å; F50-L91 HydrophobicContact CG-CD2 4.39Å; F50-L91 HydrophobicContact CG-CG 4.14Å; F50-L91 HydrophobicContact CZ-CD1 4.16Å; F50-L91 HydrophobicContact CZ-CD2 4.13Å; F50-L91 HydrophobicContact CZ-CG 3.69Å; F50-H95 HydrophobicContact CE1-CB 4.27Å; F50-H95 HydrophobicContact CZ-CB 4.14Å
51V97.2Very high98Very high65 Ų6569.5 Ų69.539%0.39434%0.34SS..Hα-helixtrans-65.2-27.4176.2170.30000111.6L47 K48 N49 P96L47-V51 VanDerWaalsContact O-CG2 3.27Å; L47-V51 WeakPolarHBondContact O-CG2 3.23Å; L47-V51 PolarHBondContact O-N 3.31Å; L47-V51 VanDerWaalsContact O-N 3.07Å; K48-V51 PolarHBondContact O-N 3.45Å; N49-V51 VanDerWaalsContact C-N 3.29Å; N49-V51 PolarHBondContact O-N 3.27Å; V51-P96 HydrophobicContact CG1-CG 4.27Å
52E97.2Very high98.1Very high132 Ų13263.5 Ų63.562%0.61732%0.32SS*.Hα-helixtrans-84.4-32.2-179.3-69.6169.5177.800113K48 N49 F50K48-E52 IonicContact NZ-OE1 3.82Å; K48-E52 PolarHBondContact NZ-OE1 2.98Å; K48-E52 IonicContact NZ-OE2 2.82Å; K48-E52 WeakPolarHBondContact O-CG 3.39Å; K48-E52 PolarHBondContact O-N 3.22Å; N49-E52 WeakPolarHBondContact O-CA 3.49Å; N49-E52 WeakPolarHBondContact O-CB 3.27Å; N49-E52 PolarHBondContact O-N 3.08Å; F50-E52 PolarHBondContact O-N 3.18Å
53D97Very high98.1Very high72 Ų7255.6 Ų55.639%0.38529%0.29SS..Hα-helixtrans-122.8-11.5-173.957.441.9000116.7N49 D55 R58N49-D53 PolarHBondContact O-N 3.28Å; D53-D55 PolarHBondContact O-N 2.75Å; D53-D55 WeakPolarHBondContact OD1-CB 3.41Å; D53-D55 PolarHBondContact OD1-N 3.15Å; D53-R58 VanDerWaalsContact CG-NH1 3.35Å; D53-R58 IonicContact OD1-CZ 3.89Å; D53-R58 IonicContact OD1-NH1 3.34Å; D53-R58 IonicContact OD1-NH2 2.83Å; D53-R58 IonicContact OD2-CZ 2.9Å; D53-R58 IonicContact OD2-NH1 3.85Å; D53-R58 PolarHBondContact OD2-NH1 3.3Å; D53-R58 IonicContact OD2-NH2 3.74Å; D53-R58 PolarHBondContact OD2-NH2 3.43Å
54G96.2Very high98.1Very high27 Ų2757.3 Ų57.328%0.27830%0.299SS..  trans68.311.3179.200000115.4F50 E56F50-G54 VanDerWaalsContact O-CA 3.32Å; F50-G54 WeakPolarHBondContact O-CA 3.39Å; F50-G54 PolarHBondContact O-N 3.21Å; G54-E56 PolarHBondContact O-N 3.22Å
55D97.8Very high98.1Very high59 Ų5953.3 Ų53.332%0.31630%0.297SS..  trans-7785.7-175-171.8-16.3000111.7D53 A57 R58 A59D53-D55 PolarHBondContact O-N 2.75Å; D53-D55 WeakPolarHBondContact OD1-CB 3.41Å; D53-D55 PolarHBondContact OD1-N 3.15Å; D55-A57 VanDerWaalsContact C-N 3.32Å; D55-A57 PolarHBondContact O-N 3.1Å; D55-A57 PolarHBondContact OD1-N 3.49Å; D55-R58 HydrophobicContact CB-CB 4.16Å; D55-R58 VanDerWaalsContact OD1-CB 3.28Å; D55-R58 WeakPolarHBondContact OD1-CB 3.48Å; D55-R58 PolarHBondContact OD1-N 2.49Å; D55-R58 WeakPolarHBondContact OD2-CB 3.26Å; D55-R58 IonicContact OD2-CZ 3.27Å; D55-R58 IonicContact OD2-NE 3.99Å; D55-R58 PolarHBondContact OD2-NE 2.76Å; D55-R58 IonicContact OD2-NH1 3.87Å; D55-R58 PolarHBondContact OD2-NH1 3.43Å; D55-A59 VanDerWaalsContact O-CB 3.27Å; D55-A59 WeakPolarHBondContact O-CB 3.47Å; D55-A59 PolarHBondContact O-N 3.32Å
56E97.6Very high98.1Very high57 Ų5751.4 Ų51.427%0.26628%0.279SS..Hα-helixtrans-56-45.3-179.9-73.8-170.8-170.800112.1F50 G54 A59 V60 N88 L91 R92F50-E56 HydrophobicContact CE2-CB 4.43Å; F50-E56 HydrophobicContact CE2-CG 3.8Å; F50-E56 HydrophobicContact CZ-CG 4.25Å; G54-E56 PolarHBondContact O-N 3.22Å; E56-A59 PolarHBondContact O-N 3.47Å; E56-V60 WeakPolarHBondContact O-CB 3.44Å; E56-V60 VanDerWaalsContact O-CG2 3.28Å; E56-V60 WeakPolarHBondContact O-CG2 3.23Å; E56-V60 PolarHBondContact O-N 2.8Å; E56-N88 PolarHBondContact OE2-ND2 3.1Å; E56-N88 PolarHBondContact OE2-OD1 3.3Å; E56-L91 HydrophobicContact CB-CD2 4.32Å; E56-L91 HydrophobicContact CG-CD2 4.39Å; E56-R92 VanDerWaalsContact CD-NE 3.35Å; E56-R92 WeakPolarHBondContact OE1-CG 3.39Å; E56-R92 IonicContact OE1-CZ 3.41Å; E56-R92 IonicContact OE1-NE 2.93Å; E56-R92 PolarHBondContact OE1-NE 2.93Å; E56-R92 IonicContact OE1-NH2 3.11Å; E56-R92 IonicContact OE2-CZ 3.28Å; E56-R92 IonicContact OE2-NE 3.74Å; E56-R92 PolarHBondContact OE2-NE 3.26Å; E56-R92 IonicContact OE2-NH2 2.86Å; E56-R92 PolarHBondContact OE2-NH2 2.67Å
57A98.1Very high98Very high76 Ų7653.1 Ų53.163%0.62830%0.296SS*.Hα-helixtrans-64.1-50-173.800000110.9D55 V60 E61D55-A57 VanDerWaalsContact C-N 3.32Å; D55-A57 PolarHBondContact O-N 3.1Å; D55-A57 PolarHBondContact OD1-N 3.49Å; A57-V60 PolarHBondContact O-N 3.29Å; A57-E61 WeakPolarHBondContact O-CB 3.22Å; A57-E61 PolarHBondContact O-N 2.89Å
58R98.5Very high98.1Very high76 Ų7654 Ų5429%0.28730%0.3SS..Hα-helixtrans-65.6-40.4178.1-168.5-138.2-46165.2166.6112D53 D55 E61 Q62D53-R58 VanDerWaalsContact CG-NH1 3.35Å; D53-R58 IonicContact OD1-CZ 3.89Å; D53-R58 IonicContact OD1-NH1 3.34Å; D53-R58 IonicContact OD1-NH2 2.83Å; D53-R58 IonicContact OD2-CZ 2.9Å; D53-R58 IonicContact OD2-NH1 3.85Å; D53-R58 PolarHBondContact OD2-NH1 3.3Å; D53-R58 IonicContact OD2-NH2 3.74Å; D53-R58 PolarHBondContact OD2-NH2 3.43Å; D55-R58 HydrophobicContact CB-CB 4.16Å; D55-R58 VanDerWaalsContact OD1-CB 3.28Å; D55-R58 WeakPolarHBondContact OD1-CB 3.48Å; D55-R58 PolarHBondContact OD1-N 2.49Å; D55-R58 WeakPolarHBondContact OD2-CB 3.26Å; D55-R58 IonicContact OD2-CZ 3.27Å; D55-R58 IonicContact OD2-NE 3.99Å; D55-R58 PolarHBondContact OD2-NE 2.76Å; D55-R58 IonicContact OD2-NH1 3.87Å; D55-R58 PolarHBondContact OD2-NH1 3.43Å; R58-E61 PolarHBondContact O-N 3.4Å; R58-Q62 WeakPolarHBondContact O-CB 3.36Å; R58-Q62 VanDerWaalsContact O-CG 3.29Å; R58-Q62 WeakPolarHBondContact O-CG 3.49Å; R58-Q62 PolarHBondContact O-N 2.88Å
59A98.7Very high98.1Very high2 Ų248.6 Ų48.62%0.01728%0.276CS..Hα-helixtrans-62.8-44.9178.100000111.5I46 F50 D55 E56 Q62 L63 L91I46-A59 HydrophobicContact CG2-CB 4.31Å; F50-A59 HydrophobicContact CB-CB 3.92Å; F50-A59 HydrophobicContact CD2-CB 3.92Å; F50-A59 HydrophobicContact CG-CB 4.14Å; D55-A59 VanDerWaalsContact O-CB 3.27Å; D55-A59 WeakPolarHBondContact O-CB 3.47Å; D55-A59 PolarHBondContact O-N 3.32Å; E56-A59 PolarHBondContact O-N 3.47Å; A59-Q62 PolarHBondContact O-N 2.86Å; A59-L63 WeakPolarHBondContact O-CB 3.25Å; A59-L63 WeakPolarHBondContact O-CG 3.43Å; A59-L63 PolarHBondContact O-N 3.44Å; A59-L91 HydrophobicContact CB-CD1 4.14Å; A59-L91 HydrophobicContact CB-CD2 3.65Å
60V98.7Very high98.1Very high18 Ų1851.8 Ų51.811%0.10929%0.287CS..Hα-helixtrans-63.3-44.4175.4172.40000111.1E56 A57 Q62 L63 M64 A84 N88 L91E56-V60 WeakPolarHBondContact O-CB 3.44Å; E56-V60 VanDerWaalsContact O-CG2 3.28Å; E56-V60 WeakPolarHBondContact O-CG2 3.23Å; E56-V60 PolarHBondContact O-N 2.8Å; A57-V60 PolarHBondContact O-N 3.29Å; V60-Q62 PolarHBondContact O-N 2.78Å; V60-L63 PolarHBondContact O-N 2.64Å; V60-M64 HydrophobicContact CG1-CG 4.24Å; V60-M64 WeakPolarHBondContact O-CB 3.44Å; V60-M64 VanDerWaalsContact O-CG 3.25Å; V60-M64 WeakPolarHBondContact O-CG 3.41Å; V60-M64 PolarHBondContact O-N 3.39Å; V60-A84 HydrophobicContact CG1-CB 3.82Å; V60-N88 HydrophobicContact CG2-CB 3.91Å; V60-L91 HydrophobicContact CG2-CD2 3.89Å
61E98.7Very high98.1Very high140 Ų14057.8 Ų57.865%0.65432%0.315SS*.Hα-helixtrans-57.8-48176.5-177.2-177.4-152.100111.7A57 R58 L63 M64 G65A57-E61 WeakPolarHBondContact O-CB 3.22Å; A57-E61 PolarHBondContact O-N 2.89Å; R58-E61 PolarHBondContact O-N 3.4Å; E61-L63 PolarHBondContact O-N 2.67Å; E61-M64 PolarHBondContact O-N 2.55Å; E61-G65 PolarHBondContact O-N 2.88Å
62Q98.8Very high98.1Very high73 Ų7355.4 Ų55.434%0.34130%0.299SS..Hα-helixtrans-65.2-37.6178.8-71.2-179.50.200112.5I46 R58 A59 V60 G65 L66I46-Q62 HydrophobicContact CD1-CB 3.79Å; I46-Q62 HydrophobicContact CG1-CB 3.87Å; I46-Q62 HydrophobicContact CG2-CB 3.92Å; R58-Q62 WeakPolarHBondContact O-CB 3.36Å; R58-Q62 VanDerWaalsContact O-CG 3.29Å; R58-Q62 WeakPolarHBondContact O-CG 3.49Å; R58-Q62 PolarHBondContact O-N 2.88Å; A59-Q62 PolarHBondContact O-N 2.86Å; V60-Q62 PolarHBondContact O-N 2.78Å; Q62-G65 PolarHBondContact O-N 3.48Å; Q62-L66 PolarHBondContact O-N 3.09Å
63L98.8Very high98.2Very high0 Ų049.6 Ų49.60%027%0.274CS..Hα-helixtrans-65-46.2174.3-71.8168.8000111.2F17 I46 L47 A59 V60 E61 G65 L66 V69 L87F17-L63 HydrophobicContact CE1-CD1 4.18Å; F17-L63 HydrophobicContact CE2-CD1 4.18Å; F17-L63 HydrophobicContact CZ-CD1 3.45Å; F17-L63 VanDerWaalsContact CZ-CD1 3.45Å; I46-L63 HydrophobicContact CB-CD2 4.49Å; I46-L63 HydrophobicContact CD1-CD2 4.15Å; I46-L63 HydrophobicContact CG2-CD2 4.24Å; I46-L63 HydrophobicContact CG2-CG 4.01Å; L47-L63 HydrophobicContact CD2-CD1 4.26Å; A59-L63 WeakPolarHBondContact O-CB 3.25Å; A59-L63 WeakPolarHBondContact O-CG 3.43Å; A59-L63 PolarHBondContact O-N 3.44Å; V60-L63 PolarHBondContact O-N 2.64Å; E61-L63 PolarHBondContact O-N 2.67Å; L63-G65 PolarHBondContact O-N 3.47Å; L63-L66 HydrophobicContact CD2-CD1 4.05Å; L63-L66 VanDerWaalsContact O-CB 3.31Å; L63-L66 WeakPolarHBondContact O-CB 3.37Å; L63-L66 WeakPolarHBondContact O-CG 3.18Å; L63-L66 PolarHBondContact O-N 2.87Å; L63-V69 WeakPolarHBondContact O-CG2 3.48Å; L63-L87 HydrophobicContact CB-CD1 4.15Å
64M98.5Very high98.2Very high37 Ų3753.3 Ų53.318%0.18229%0.289CS..Hα-helixtrans-60-29.3173-70.7-63.5-68.900112.1V60 E61 L66 V69 K70 S80 I83 A84 L87V60-M64 HydrophobicContact CG1-CG 4.24Å; V60-M64 WeakPolarHBondContact O-CB 3.44Å; V60-M64 VanDerWaalsContact O-CG 3.25Å; V60-M64 WeakPolarHBondContact O-CG 3.41Å; V60-M64 PolarHBondContact O-N 3.39Å; E61-M64 PolarHBondContact O-N 2.55Å; M64-L66 VanDerWaalsContact C-N 3.29Å; M64-L66 PolarHBondContact O-N 3.27Å; M64-V69 HydrophobicContact SD-CG1 4Å; M64-K70 WeakPolarHBondContact O-CG 2.82Å; M64-S80 WeakPolarHBondContact CE-O 3.23Å; M64-I83 HydrophobicContact CE-CB 4.21Å; M64-I83 HydrophobicContact CE-CG2 4.25Å; M64-I83 HydrophobicContact SD-CB 4.01Å; M64-I83 HydrophobicContact SD-CG2 3.47Å; M64-I83 WeakPolarHBondContact SD-CG2 3.37Å; M64-A84 HydrophobicContact CG-CB 4.32Å; M64-A84 HydrophobicContact SD-CB 4.28Å; M64-L87 HydrophobicContact CG-CD1 4.33Å; M64-L87 HydrophobicContact SD-CD1 3.83Å
65G98.2Very high98.3Very high41 Ų4158.8 Ų58.842%0.42331%0.305SS..THydrogen-bonded Turntrans-69.7-16.6174.800000115.2E61 Q62 L63 A67E61-G65 PolarHBondContact O-N 2.88Å; Q62-G65 PolarHBondContact O-N 3.48Å; L63-G65 PolarHBondContact O-N 3.47Å; G65-A67 PolarHBondContact O-N 3.08Å
66L98.6Very high98.2Very high7 Ų757 Ų574%0.03729%0.294CS..SBendtrans-64.7130179.9-64.6175000110.7L16 T39 R42 C43 I46 Q62 L63 M64 F68 V69 K70L16-L66 HydrophobicContact CD2-CD1 4.27Å; T39-L66 HydrophobicContact CG2-CB 4.46Å; T39-L66 HydrophobicContact CG2-CD1 4.17Å; R42-L66 HydrophobicContact CB-CD2 3.71Å; C43-L66 HydrophobicContact CB-CD1 4.21Å; I46-L66 HydrophobicContact CD1-CD1 4.37Å; I46-L66 HydrophobicContact CD1-CD2 3.98Å; I46-L66 HydrophobicContact CD1-CG 4.23Å; Q62-L66 PolarHBondContact O-N 3.09Å; L63-L66 HydrophobicContact CD2-CD1 4.05Å; L63-L66 VanDerWaalsContact O-CB 3.31Å; L63-L66 WeakPolarHBondContact O-CB 3.37Å; L63-L66 WeakPolarHBondContact O-CG 3.18Å; L63-L66 PolarHBondContact O-N 2.87Å; M64-L66 VanDerWaalsContact C-N 3.29Å; M64-L66 PolarHBondContact O-N 3.27Å; L66-F68 PolarHBondContact O-N 2.98Å; L66-F68 VanDerWaalsContact O-N 3.1Å; L66-V69 HydrophobicContact CB-CB 4.34Å; L66-V69 HydrophobicContact CB-CG2 4.05Å; L66-V69 HydrophobicContact CD1-CG2 4.47Å; L66-V69 WeakPolarHBondContact O-CB 3.24Å; L66-V69 PolarHBondContact O-N 3.32Å; L66-K70 PolarHBondContact O-N 2.63Å; L66-K70 VanDerWaalsContact O-N 3.1Å
67A97.7Very high98.2Very high51 Ų5162.5 Ų62.542%0.42132%0.32SS..Hα-helixtrans-52.7-37.6178.900000112.9G65 K70 Q71G65-A67 PolarHBondContact O-N 3.08Å; A67-K70 PolarHBondContact O-N 2.8Å; A67-Q71 WeakPolarHBondContact O-CB 3.41Å; A67-Q71 WeakPolarHBondContact O-CG 3.37Å; A67-Q71 PolarHBondContact O-N 2.78Å
68F98.4Very high98.2Very high25 Ų2559.6 Ų59.611%0.1129%0.294CS..Hα-helixtrans-61.2-42.7174.6178-105.7000113L12 H15 F32 C35 T39 L66 Y72L12-F68 HydrophobicContact CD1-CD1 3.95Å; L12-F68 HydrophobicContact CD1-CE1 3.52Å; L12-F68 HydrophobicContact CD1-CZ 4.49Å; H15-F68 AromaticContact CD2-CE1 3.73Å; H15-F68 AromaticContact CD2-CZ 4Å; F32-F68 HydrophobicContact CZ-CZ 4.05Å; C35-F68 HydrophobicContact CB-CB 3.95Å; C35-F68 HydrophobicContact CB-CD1 3.67Å; C35-F68 HydrophobicContact CB-CD2 3.37Å; C35-F68 HydrophobicContact CB-CE1 3.93Å; C35-F68 HydrophobicContact CB-CE2 3.66Å; C35-F68 HydrophobicContact CB-CG 3.36Å; C35-F68 HydrophobicContact CB-CZ 3.93Å; T39-F68 HydrophobicContact CG2-CB 3.67Å; T39-F68 HydrophobicContact CG2-CG 4.35Å; L66-F68 PolarHBondContact O-N 2.98Å; L66-F68 VanDerWaalsContact O-N 3.1Å; F68-Y72 HydrophobicContact CZ-CD2 4.41Å; F68-Y72 WeakPolarHBondContact O-CB 3.11Å; F68-Y72 PolarHBondContact O-N 3.47Å
69V98.6Very high98.1Very high1 Ų159.8 Ų59.81%0.00630%0.3CS..Hα-helixtrans-66.1-45.8179.2172.40000110.2L12 L16 L63 M64 L66 Y72 A73 I83L12-V69 HydrophobicContact CD1-CG2 4.19Å; L12-V69 HydrophobicContact CD2-CG1 4.21Å; L16-V69 HydrophobicContact CD1-CG2 3.74Å; L63-V69 WeakPolarHBondContact O-CG2 3.48Å; M64-V69 HydrophobicContact SD-CG1 4Å; L66-V69 HydrophobicContact CB-CB 4.34Å; L66-V69 HydrophobicContact CB-CG2 4.05Å; L66-V69 HydrophobicContact CD1-CG2 4.47Å; L66-V69 WeakPolarHBondContact O-CB 3.24Å; L66-V69 PolarHBondContact O-N 3.32Å; V69-Y72 PolarHBondContact O-N 2.8Å; V69-A73 WeakPolarHBondContact O-CB 3.48Å; V69-A73 PolarHBondContact O-N 2.95Å; V69-I83 HydrophobicContact CG1-CG2 4.38Å
70K98.3Very high98Very high127 Ų12763.2 Ų63.255%0.55232%0.324SS*.Hα-helixtrans-59.7-49.9177.3-63.6-173.7178.5-174.80112.2M64 L66 A67 Y72 A73 E74M64-K70 WeakPolarHBondContact O-CG 2.82Å; L66-K70 PolarHBondContact O-N 2.63Å; L66-K70 VanDerWaalsContact O-N 3.1Å; A67-K70 PolarHBondContact O-N 2.8Å; K70-Y72 VanDerWaalsContact C-N 3.34Å; K70-Y72 PolarHBondContact O-N 2.94Å; K70-A73 PolarHBondContact O-N 2.86Å; K70-E74 WeakPolarHBondContact O-CB 3.38Å; K70-E74 PolarHBondContact O-N 2.97Å
71Q98.1Very high98Very high127 Ų12765.7 Ų65.759%0.59335%0.347SS*.Hα-helixtrans-62.5-40178.2-72.4170.94.900112.2A67 K75A67-Q71 WeakPolarHBondContact O-CB 3.41Å; A67-Q71 WeakPolarHBondContact O-CG 3.37Å; A67-Q71 PolarHBondContact O-N 2.78Å; Q71-K75 WeakPolarHBondContact O-CB 3.46Å; Q71-K75 PolarHBondContact O-N 3.09Å
72Y98.3Very high97.8Very high15 Ų1561.6 Ų61.66%0.05933%0.328CS..Hα-helixtrans-67.4-42177.9-168-84.8000111.5R8 L12 F32 F68 V69 K70 H76 L78R8-Y72 HydrophobicContact CB-CE1 4.3Å; R8-Y72 VanDerWaalsContact O-CE1 3.25Å; R8-Y72 WeakPolarHBondContact O-CE1 3.47Å; R8-Y72 PolarHBondContact O-OH 2.81Å; R8-Y72 VanDerWaalsContact O-OH 3.08Å; L12-Y72 HydrophobicContact CB-CD1 4.09Å; L12-Y72 HydrophobicContact CB-CE1 3.91Å; L12-Y72 HydrophobicContact CD1-CD1 4.32Å; L12-Y72 HydrophobicContact CD1-CG 4.27Å; L12-Y72 HydrophobicContact CD2-CD1 3.98Å; L12-Y72 HydrophobicContact CG-CD1 4.36Å; F32-Y72 AromaticContact CD2-CE2 3.97Å; F32-Y72 HydrophobicContact CD2-CE2 3.97Å; F32-Y72 HydrophobicContact CE2-CD2 4.42Å; F32-Y72 AromaticContact CE2-CE2 3.57Å; F32-Y72 HydrophobicContact CE2-CE2 3.57Å; F32-Y72 AromaticContact CE2-CZ 3.91Å; F68-Y72 HydrophobicContact CZ-CD2 4.41Å; F68-Y72 WeakPolarHBondContact O-CB 3.11Å; F68-Y72 PolarHBondContact O-N 3.47Å; V69-Y72 PolarHBondContact O-N 2.8Å; K70-Y72 VanDerWaalsContact C-N 3.34Å; K70-Y72 PolarHBondContact O-N 2.94Å; Y72-H76 AromaticContact CD1-CD2 3.8Å; Y72-H76 AromaticContact CD2-CD2 3.87Å; Y72-H76 AromaticContact CE1-CD2 3.62Å; Y72-H76 AromaticContact CE2-CD2 3.68Å; Y72-H76 AromaticContact CE2-NE2 3.7Å; Y72-H76 AromaticContact CG-CD2 3.93Å; Y72-H76 AromaticContact CZ-CD2 3.57Å; Y72-H76 AromaticContact CZ-NE2 3.86Å; Y72-H76 WeakPolarHBondContact O-CB 3.49Å; Y72-H76 PolarHBondContact O-CD2 2.86Å; Y72-H76 PolarHBondContact O-N 3.38Å; Y72-L78 HydrophobicContact CD1-CD1 3.87Å; Y72-L78 HydrophobicContact CE1-CD1 3.79Å
73A98Very high97.8Very high10 Ų1058.1 Ų58.18%0.08331%0.312CS..Hα-helixtrans-60.6-47.5176.600000111.7V69 K70 H76 H77 L78 I83V69-A73 WeakPolarHBondContact O-CB 3.48Å; V69-A73 PolarHBondContact O-N 2.95Å; K70-A73 PolarHBondContact O-N 2.86Å; A73-H76 PolarHBondContact O-N 2.83Å; A73-H77 WeakPolarHBondContact O-CA 3.42Å; A73-H77 PolarHBondContact O-N 2.86Å; A73-L78 PolarHBondContact O-N 3.39Å; A73-I83 HydrophobicContact CB-CD1 3.45Å; A73-I83 VanDerWaalsContact CB-CD1 3.45Å
74E98Very high97.8Very high151 Ų15159.3 Ų59.371%0.70632%0.321SS*.Hα-helixtrans-62.8-52.7177.9-176.2179.2-176.500111.9K70 H76 H77K70-E74 WeakPolarHBondContact O-CB 3.38Å; K70-E74 PolarHBondContact O-N 2.97Å; E74-H76 PolarHBondContact O-N 3.15Å; E74-H76 VanDerWaalsContact O-N 3.09Å; E74-H77 PolarHBondContact O-N 3.13Å; E74-H77 VanDerWaalsContact O-N 3.15Å
75K97.6Very high97.7Very high141 Ų14162.7 Ų62.761%0.61334%0.336SS*.Hα-helixtrans-54.1-33.9179.8176.2176.8178.7176.30113.1Q71Q71-K75 WeakPolarHBondContact O-CB 3.46Å; Q71-K75 PolarHBondContact O-N 3.09Å
76H96.8Very high97.7Very high21 Ų2160.7 Ų60.710%0.09732%0.316CS..THydrogen-bonded Turntrans-107.75.3-173.5-72.3-59000113.9R8 Y72 A73 E74 L78R8-H76 PolarHBondContact NH1-O 2.92Å; Y72-H76 AromaticContact CD1-CD2 3.8Å; Y72-H76 AromaticContact CD2-CD2 3.87Å; Y72-H76 AromaticContact CE1-CD2 3.62Å; Y72-H76 AromaticContact CE2-CD2 3.68Å; Y72-H76 AromaticContact CE2-NE2 3.7Å; Y72-H76 AromaticContact CG-CD2 3.93Å; Y72-H76 AromaticContact CZ-CD2 3.57Å; Y72-H76 AromaticContact CZ-NE2 3.86Å; Y72-H76 WeakPolarHBondContact O-CB 3.49Å; Y72-H76 PolarHBondContact O-CD2 2.86Å; Y72-H76 PolarHBondContact O-N 3.38Å; A73-H76 PolarHBondContact O-N 2.83Å; E74-H76 PolarHBondContact O-N 3.15Å; E74-H76 VanDerWaalsContact O-N 3.09Å; H76-L78 VanDerWaalsContact C-N 3.27Å; H76-L78 HydrophobicContact CB-CD1 3.9Å; H76-L78 HydrophobicContact CB-CD2 4.24Å; H76-L78 HydrophobicContact CB-CG 3.7Å; H76-L78 PolarHBondContact O-N 3.33Å
77H97Very high97.6Very high173 Ų17360.4 Ų60.480%0.80132%0.315SS*.THydrogen-bonded Turntrans50.146-177.4-50.5-67.8000112.7A73 E74A73-H77 WeakPolarHBondContact O-CA 3.42Å; A73-H77 PolarHBondContact O-N 2.86Å; E74-H77 PolarHBondContact O-N 3.13Å; E74-H77 VanDerWaalsContact O-N 3.15Å
78L97.2Very high97.6Very high15 Ų1559.3 Ų59.38%0.07930%0.302CS..  trans-89.7138.7-177.2-60.4175.6000110.8A5 R8 V9 Y72 A73 H76 S80 I83A5-L78 HydrophobicContact CB-CD2 4.22Å; R8-L78 HydrophobicContact CB-CD1 4.06Å; R8-L78 HydrophobicContact CB-CD2 4.04Å; V9-L78 HydrophobicContact CG2-CD1 3.95Å; V9-L78 HydrophobicContact CG2-CD2 4.12Å; V9-L78 HydrophobicContact CG2-CG 4.43Å; Y72-L78 HydrophobicContact CD1-CD1 3.87Å; Y72-L78 HydrophobicContact CE1-CD1 3.79Å; A73-L78 PolarHBondContact O-N 3.39Å; H76-L78 VanDerWaalsContact C-N 3.27Å; H76-L78 HydrophobicContact CB-CD1 3.9Å; H76-L78 HydrophobicContact CB-CD2 4.24Å; H76-L78 HydrophobicContact CB-CG 3.7Å; H76-L78 PolarHBondContact O-N 3.33Å; L78-S80 PolarHBondContact O-N 3.16Å; L78-I83 HydrophobicContact CB-CD1 3.73Å; L78-I83 HydrophobicContact CB-CG1 4.13Å; L78-I83 HydrophobicContact CD1-CD1 4.37Å
79D97.1Very high97.6Very high80 Ų8058.9 Ų58.943%0.42830%0.3SS..  trans-69126.2175.8177.5-74000111.1A81 Q82 I83D79-A81 VanDerWaalsContact C-N 3.34Å; D79-A81 PolarHBondContact O-N 3.09Å; D79-A81 WeakPolarHBondContact OD1-CA 3.5Å; D79-A81 WeakPolarHBondContact OD1-CB 3.13Å; D79-A81 PolarHBondContact OD1-N 3.31Å; D79-Q82 HydrophobicContact CB-CB 3.95Å; D79-Q82 HydrophobicContact CB-CG 3.92Å; D79-Q82 WeakPolarHBondContact O-CB 3.43Å; D79-Q82 PolarHBondContact O-N 2.76Å; D79-Q82 PolarHBondContact OD1-N 3.49Å; D79-I83 WeakPolarHBondContact O-CG1 3.3Å; D79-I83 PolarHBondContact O-N 3.45Å
80S97.3Very high97.5Very high74 Ų7458.9 Ų58.952%0.51730%0.3SS..Hα-helixtrans-62.7-36.5-176.3-66.10000113.4M64 L78 Q82 I83 A84M64-S80 WeakPolarHBondContact CE-O 3.23Å; L78-S80 PolarHBondContact O-N 3.16Å; S80-Q82 VanDerWaalsContact C-N 3.34Å; S80-I83 PolarHBondContact O-N 3.26Å; S80-A84 WeakPolarHBondContact O-CB 3.39Å; S80-A84 PolarHBondContact O-N 2.89Å
81A97.2Very high97.5Very high70 Ų7052.8 Ų52.858%0.57927%0.274SS*.Hα-helixtrans-69.7-37.6178.800000110.7D79 A84 Q85D79-A81 VanDerWaalsContact C-N 3.34Å; D79-A81 PolarHBondContact O-N 3.09Å; D79-A81 WeakPolarHBondContact OD1-CA 3.5Å; D79-A81 WeakPolarHBondContact OD1-CB 3.13Å; D79-A81 PolarHBondContact OD1-N 3.31Å; A81-A84 PolarHBondContact O-N 2.9Å; A81-Q85 WeakPolarHBondContact O-CB 3.48Å; A81-Q85 PolarHBondContact O-N 3.05Å
82Q96Very high97.4Very high55 Ų5551.3 Ų51.326%0.25726%0.263SS..Hα-helixtrans-64.4-41.8173.5-75.7-176.817.600112.8M1 D79 S80 H86M1-Q82 HydrophobicContact CE-CB 3.45Å; M1-Q82 VanDerWaalsContact CE-CB 3.45Å; M1-Q82 HydrophobicContact CE-CG 3.9Å; D79-Q82 HydrophobicContact CB-CB 3.95Å; D79-Q82 HydrophobicContact CB-CG 3.92Å; D79-Q82 WeakPolarHBondContact O-CB 3.43Å; D79-Q82 PolarHBondContact O-N 2.76Å; D79-Q82 PolarHBondContact OD1-N 3.49Å; S80-Q82 VanDerWaalsContact C-N 3.34Å; Q82-H86 WeakPolarHBondContact O-CB 3.5Å; Q82-H86 PolarHBondContact O-N 2.97Å; Q82-H86 VanDerWaalsContact O-N 3.13Å
83I98.3Very high97.3Very high0 Ų051.1 Ų51.10%026%0.262CS..Hα-helixtrans-61.5-53.5172.9-64.5164.2000109.6V9 L12 M64 V69 A73 L78 D79 S80 Q85 H86 L87V9-I83 HydrophobicContact CG2-CG1 4.01Å; L12-I83 HydrophobicContact CD2-CG2 3.94Å; M64-I83 HydrophobicContact CE-CB 4.21Å; M64-I83 HydrophobicContact CE-CG2 4.25Å; M64-I83 HydrophobicContact SD-CB 4.01Å; M64-I83 HydrophobicContact SD-CG2 3.47Å; M64-I83 WeakPolarHBondContact SD-CG2 3.37Å; V69-I83 HydrophobicContact CG1-CG2 4.38Å; A73-I83 HydrophobicContact CB-CD1 3.45Å; A73-I83 VanDerWaalsContact CB-CD1 3.45Å; L78-I83 HydrophobicContact CB-CD1 3.73Å; L78-I83 HydrophobicContact CB-CG1 4.13Å; L78-I83 HydrophobicContact CD1-CD1 4.37Å; D79-I83 WeakPolarHBondContact O-CG1 3.3Å; D79-I83 PolarHBondContact O-N 3.45Å; S80-I83 PolarHBondContact O-N 3.26Å; I83-Q85 VanDerWaalsContact C-N 3.29Å; I83-Q85 PolarHBondContact O-N 2.85Å; I83-H86 PolarHBondContact O-N 3.3Å; I83-L87 HydrophobicContact CG2-CD1 3.8Å; I83-L87 HydrophobicContact CG2-CG 3.9Å; I83-L87 WeakPolarHBondContact O-CG 3.34Å; I83-L87 PolarHBondContact O-N 2.86Å
84A98.3Very high97.2Very high25 Ų2553.1 Ų53.121%0.20727%0.268CS..Hα-helixtrans-55.7-44.4-177.500000112V60 M64 S80 A81 H86 L87 N88V60-A84 HydrophobicContact CG1-CB 3.82Å; M64-A84 HydrophobicContact CG-CB 4.32Å; M64-A84 HydrophobicContact SD-CB 4.28Å; S80-A84 WeakPolarHBondContact O-CB 3.39Å; S80-A84 PolarHBondContact O-N 2.89Å; A81-A84 PolarHBondContact O-N 2.9Å; A84-H86 VanDerWaalsContact C-N 3.35Å; A84-H86 PolarHBondContact O-N 3.02Å; A84-L87 PolarHBondContact O-N 2.82Å; A84-N88 WeakPolarHBondContact O-CB 3.45Å; A84-N88 PolarHBondContact O-N 2.82Å
85Q96.5Very high97.1Very high107 Ų10748.5 Ų48.550%0.525%0.247SC..Hα-helixtrans-60-43.9175.7-172.3-177.130.600112A81 I83 N88 M89A81-Q85 WeakPolarHBondContact O-CB 3.48Å; A81-Q85 PolarHBondContact O-N 3.05Å; I83-Q85 VanDerWaalsContact C-N 3.29Å; I83-Q85 PolarHBondContact O-N 2.85Å; Q85-N88 PolarHBondContact O-N 2.81Å; Q85-M89 PolarHBondContact O-N 3.41Å
86H97.3Very high96.9Very high0 Ų045.6 Ų45.60%024%0.242CC..Hα-helixtrans-72.4-37.9-178.1-151.994.2000112.5V9 D10 Q82 I83 A84 N88 M89 Y90V9-H86 HydrophobicContact CG1-CB 3.31Å; D10-H86 IonicContact OD1-CD2 2.98Å; D10-H86 IonicContact OD1-CE1 2.95Å; D10-H86 IonicContact OD1-NE2 2.67Å; D10-H86 PolarHBondContact OD1-NE2 2.81Å; Q82-H86 WeakPolarHBondContact O-CB 3.5Å; Q82-H86 PolarHBondContact O-N 2.97Å; Q82-H86 VanDerWaalsContact O-N 3.13Å; I83-H86 PolarHBondContact O-N 3.3Å; A84-H86 VanDerWaalsContact C-N 3.35Å; A84-H86 PolarHBondContact O-N 3.02Å; H86-N88 VanDerWaalsContact C-N 3.28Å; H86-N88 PolarHBondContact O-N 3.33Å; H86-M89 HydrophobicContact CB-CE 4.07Å; H86-M89 VanDerWaalsContact CE1-CE 3.48Å; H86-M89 WeakPolarHBondContact CE1-CE 3.47Å; H86-M89 WeakPolarHBondContact ND1-CE 3.09Å; H86-M89 PolarHBondContact O-N 3.45Å; H86-Y90 AromaticContact CD2-CE2 3.77Å; H86-Y90 AromaticContact NE2-CE2 3.69Å; H86-Y90 PolarHBondContact O-N 2.93Å
87L98.4Very high96.8Very high0 Ų050.8 Ų50.80%027%0.27CS..Hα-helixtrans-60.2-41.1170.8-64.5-176.7000110.7A13 L16 F17 L63 M64 I83 A84 M89 Y90 L91A13-L87 HydrophobicContact CB-CD2 3.94Å; L16-L87 HydrophobicContact CD1-CD2 3.93Å; F17-L87 HydrophobicContact CD2-CD2 4.49Å; F17-L87 HydrophobicContact CE2-CB 4.12Å; F17-L87 HydrophobicContact CE2-CD2 3.84Å; F17-L87 WeakPolarHBondContact CE2-O 3.42Å; F17-L87 WeakPolarHBondContact CZ-O 3.45Å; L63-L87 HydrophobicContact CB-CD1 4.15Å; M64-L87 HydrophobicContact CG-CD1 4.33Å; M64-L87 HydrophobicContact SD-CD1 3.83Å; I83-L87 HydrophobicContact CG2-CD1 3.8Å; I83-L87 HydrophobicContact CG2-CG 3.9Å; I83-L87 WeakPolarHBondContact O-CG 3.34Å; I83-L87 PolarHBondContact O-N 2.86Å; A84-L87 PolarHBondContact O-N 2.82Å; L87-M89 VanDerWaalsContact C-N 3.33Å; L87-M89 PolarHBondContact O-N 3.4Å; L87-Y90 PolarHBondContact O-N 3.07Å; L87-Y90 VanDerWaalsContact O-N 3.16Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 PolarHBondContact O-N 2.99Å
88N97.9Very high96.8Very high28 Ų2842.9 Ų42.915%0.1524%0.235CC..Hα-helixtrans-64.4-36.4178.9-160.636.8000112.8E56 V60 A84 Q85 H86 Y90 L91 R92E56-N88 PolarHBondContact OE2-ND2 3.1Å; E56-N88 PolarHBondContact OE2-OD1 3.3Å; V60-N88 HydrophobicContact CG2-CB 3.91Å; A84-N88 WeakPolarHBondContact O-CB 3.45Å; A84-N88 PolarHBondContact O-N 2.82Å; Q85-N88 PolarHBondContact O-N 2.81Å; H86-N88 VanDerWaalsContact C-N 3.28Å; H86-N88 PolarHBondContact O-N 3.33Å; N88-Y90 VanDerWaalsContact C-N 3.3Å; N88-Y90 PolarHBondContact O-N 2.88Å; N88-L91 PolarHBondContact O-N 2.9Å; N88-R92 PolarHBondContact ND2-NH2 2.76Å; N88-R92 WeakPolarHBondContact O-CG 3.45Å; N88-R92 PolarHBondContact O-N 3.32Å; N88-R92 VanDerWaalsContact O-N 3.15Å
89M96.4Very high96.8Very high17 Ų1742.3 Ų42.38%0.08423%0.233CC..Hα-helixtrans-58.8-42173.3-66.5-169.6-64.900111.8Q85 H86 L87 K136 P173Q85-M89 PolarHBondContact O-N 3.41Å; H86-M89 HydrophobicContact CB-CE 4.07Å; H86-M89 VanDerWaalsContact CE1-CE 3.48Å; H86-M89 WeakPolarHBondContact CE1-CE 3.47Å; H86-M89 WeakPolarHBondContact ND1-CE 3.09Å; H86-M89 PolarHBondContact O-N 3.45Å; L87-M89 VanDerWaalsContact C-N 3.33Å; L87-M89 PolarHBondContact O-N 3.4Å; M89-K136 HydrophobicContact CE-CD 4.4Å; M89-K136 HydrophobicContact CE-CG 4.08Å; M89-P173 HydrophobicContact CB-CG 4.01Å; M89-P173 VanDerWaalsContact O-CG 3.29Å; M89-P173 WeakPolarHBondContact O-CG 3.4Å
90Y98Very high96.8Very high0 Ų038.8 Ų38.80%021%0.213CC..Hα-helixtrans-72.1-40.9176.2-84.1-89.3000113.1D10 A13 T14 F17 V18 H86 L87 N88 R92 Q93 G172 P173 F176D10-Y90 VanDerWaalsContact OD1-CE2 3.28Å; D10-Y90 WeakPolarHBondContact OD1-CE2 3.4Å; D10-Y90 PolarHBondContact OD1-OH 3.19Å; D10-Y90 PolarHBondContact OD2-OH 3.26Å; A13-Y90 HydrophobicContact CB-CD2 3.43Å; A13-Y90 VanDerWaalsContact CB-CD2 3.43Å; A13-Y90 HydrophobicContact CB-CE2 3.56Å; A13-Y90 HydrophobicContact CB-CG 4.14Å; T14-Y90 HydrophobicContact CG2-CE1 4.02Å; T14-Y90 WeakPolarHBondContact CG2-OH 3.37Å; F17-Y90 HydrophobicContact CB-CD1 3.98Å; F17-Y90 HydrophobicContact CB-CG 4.29Å; F17-Y90 HydrophobicContact CD2-CG 4.05Å; F17-Y90 HydrophobicContact CG-CD1 4.5Å; F17-Y90 HydrophobicContact CG-CG 4.32Å; V18-Y90 HydrophobicContact CG2-CE1 4.33Å; H86-Y90 AromaticContact CD2-CE2 3.77Å; H86-Y90 AromaticContact NE2-CE2 3.69Å; H86-Y90 PolarHBondContact O-N 2.93Å; L87-Y90 PolarHBondContact O-N 3.07Å; L87-Y90 VanDerWaalsContact O-N 3.16Å; N88-Y90 VanDerWaalsContact C-N 3.3Å; N88-Y90 PolarHBondContact O-N 2.88Å; Y90-R92 VanDerWaalsContact C-N 3.29Å; Y90-R92 PolarHBondContact O-N 3.26Å; Y90-Q93 VanDerWaalsContact CD1-NE2 3.29Å; Y90-Q93 WeakPolarHBondContact O-CB 3.39Å; Y90-Q93 PolarHBondContact O-N 3.39Å; Y90-G172 VanDerWaalsContact OH-C 3.31Å; Y90-G172 PolarHBondContact OH-O 3.11Å; Y90-P173 HydrophobicContact CD2-CG 4.45Å; Y90-P173 HydrophobicContact CG-CG 4.4Å; Y90-F176 AromaticContact CE1-CE2 3.97Å; Y90-F176 HydrophobicContact CE1-CE2 3.97Å
91L97.9Very high96.8Very high0 Ų041.4 Ų41.40%022%0.216CC..Hα-helixtrans-54.8-45180-176.567.2000111.8F17 L47 F50 E56 A59 V60 L87 N88 Q93 Y94F17-L91 HydrophobicContact CE1-CB 3.92Å; F17-L91 HydrophobicContact CE1-CD1 3.79Å; F17-L91 HydrophobicContact CE1-CG 4.5Å; F17-L91 HydrophobicContact CZ-CB 3.87Å; F17-L91 HydrophobicContact CZ-CD1 4.2Å; L47-L91 HydrophobicContact CD2-CD1 3.52Å; F50-L91 HydrophobicContact CB-CD1 4.25Å; F50-L91 HydrophobicContact CD1-CD1 3.41Å; F50-L91 VanDerWaalsContact CD1-CD1 3.41Å; F50-L91 HydrophobicContact CD1-CG 3.91Å; F50-L91 HydrophobicContact CD2-CD1 4.1Å; F50-L91 HydrophobicContact CD2-CD2 4.01Å; F50-L91 HydrophobicContact CD2-CG 4.15Å; F50-L91 HydrophobicContact CE1-CD1 3.69Å; F50-L91 HydrophobicContact CE1-CD2 4.5Å; F50-L91 HydrophobicContact CE1-CG 3.67Å; F50-L91 WeakPolarHBondContact CE1-O 3.4Å; F50-L91 HydrophobicContact CE2-CD1 4.35Å; F50-L91 HydrophobicContact CE2-CD2 3.88Å; F50-L91 HydrophobicContact CE2-CG 3.93Å; F50-L91 HydrophobicContact CG-CD1 3.63Å; F50-L91 HydrophobicContact CG-CD2 4.39Å; F50-L91 HydrophobicContact CG-CG 4.14Å; F50-L91 HydrophobicContact CZ-CD1 4.16Å; F50-L91 HydrophobicContact CZ-CD2 4.13Å; F50-L91 HydrophobicContact CZ-CG 3.69Å; E56-L91 HydrophobicContact CB-CD2 4.32Å; E56-L91 HydrophobicContact CG-CD2 4.39Å; A59-L91 HydrophobicContact CB-CD1 4.14Å; A59-L91 HydrophobicContact CB-CD2 3.65Å; V60-L91 HydrophobicContact CG2-CD2 3.89Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 PolarHBondContact O-N 2.99Å; N88-L91 PolarHBondContact O-N 2.9Å; L91-Q93 PolarHBondContact O-N 3.4Å; L91-Q93 VanDerWaalsContact O-N 3.09Å; L91-Y94 WeakPolarHBondContact O-CB 3.27Å; L91-Y94 PolarHBondContact O-N 2.75Å
92R96.9Very high96.8Very high96 Ų9638.6 Ų38.636%0.36219%0.191SC..G310 helixtrans-57.5-25.7-179.4-77.7176.9179.21653.5115.1E56 N88 Y90 Y94 H95 S98 V132E56-R92 VanDerWaalsContact CD-NE 3.35Å; E56-R92 WeakPolarHBondContact OE1-CG 3.39Å; E56-R92 IonicContact OE1-CZ 3.41Å; E56-R92 IonicContact OE1-NE 2.93Å; E56-R92 PolarHBondContact OE1-NE 2.93Å; E56-R92 IonicContact OE1-NH2 3.11Å; E56-R92 IonicContact OE2-CZ 3.28Å; E56-R92 IonicContact OE2-NE 3.74Å; E56-R92 PolarHBondContact OE2-NE 3.26Å; E56-R92 IonicContact OE2-NH2 2.86Å; E56-R92 PolarHBondContact OE2-NH2 2.67Å; N88-R92 PolarHBondContact ND2-NH2 2.76Å; N88-R92 WeakPolarHBondContact O-CG 3.45Å; N88-R92 PolarHBondContact O-N 3.32Å; N88-R92 VanDerWaalsContact O-N 3.15Å; Y90-R92 VanDerWaalsContact C-N 3.29Å; Y90-R92 PolarHBondContact O-N 3.26Å; R92-Y94 PolarHBondContact O-N 3.48Å; R92-H95 PolarHBondContact O-N 3.24Å; R92-S98 WeakPolarHBondContact O-CB 3.48Å; R92-V132 HydrophobicContact CB-CB 4.32Å; R92-V132 HydrophobicContact CB-CG1 4.08Å
93Q95.1Very high96.7Very high10 Ų1037 Ų375%0.04719%0.187CC..G310 helixtrans-66.5-25.4175.1-57.5-17873.500112.4Y90 L91 S98 I100 P173Y90-Q93 VanDerWaalsContact CD1-NE2 3.29Å; Y90-Q93 WeakPolarHBondContact O-CB 3.39Å; Y90-Q93 PolarHBondContact O-N 3.39Å; L91-Q93 PolarHBondContact O-N 3.4Å; L91-Q93 VanDerWaalsContact O-N 3.09Å; Q93-S98 WeakPolarHBondContact O-CB 3.22Å; Q93-S98 PolarHBondContact O-OG 2.79Å; Q93-I100 HydrophobicContact CB-CD1 4.5Å; Q93-I100 HydrophobicContact CG-CD1 4.2Å; Q93-P173 VanDerWaalsContact CD-CB 3.46Å; Q93-P173 HydrophobicContact CG-CB 4.07Å; Q93-P173 HydrophobicContact CG-CG 4.24Å; Q93-P173 VanDerWaalsContact NE2-CB 3.26Å; Q93-P173 VanDerWaalsContact NE2-CG 3.32Å
94Y95.7Very high96.6Very high53 Ų5338.7 Ų38.721%0.20820%0.202CC..G310 helixtrans-90-5.9-179-71.8-83.4000113.6F17 L21 L91 R92 V102F17-Y94 HydrophobicContact CB-CE2 4Å; F17-Y94 AromaticContact CD1-CD2 3.85Å; F17-Y94 HydrophobicContact CD1-CD2 3.85Å; F17-Y94 AromaticContact CD1-CE2 3.84Å; F17-Y94 HydrophobicContact CD1-CE2 3.84Å; F17-Y94 HydrophobicContact CE1-CD2 4.5Å; F17-Y94 HydrophobicContact CG-CE2 4.39Å; F17-Y94 VanDerWaalsContact O-CZ 3.28Å; F17-Y94 PolarHBondContact O-OH 2.93Å; L21-Y94 HydrophobicContact CD1-CD1 4.33Å; L21-Y94 HydrophobicContact CD1-CE1 3.71Å; L21-Y94 HydrophobicContact CD1-CE2 4.19Å; L91-Y94 WeakPolarHBondContact O-CB 3.27Å; L91-Y94 PolarHBondContact O-N 2.75Å; R92-Y94 PolarHBondContact O-N 3.48Å; Y94-V102 WeakPolarHBondContact OH-CG1 3.34Å
95H95.7Very high96.2Very high54 Ų5437.7 Ų37.725%0.2519%0.192CC..SBendtrans-61.8136.4172.2-168.3-88.7000109.4F50 R92 D97 S98F50-H95 HydrophobicContact CE1-CB 4.27Å; F50-H95 HydrophobicContact CZ-CB 4.14Å; R92-H95 PolarHBondContact O-N 3.24Å; H95-D97 IonicContact CE1-OD2 3.87Å; H95-D97 PolarHBondContact CE1-OD2 3.41Å; H95-D97 PolarHBondContact ND1-N 3.44Å; H95-D97 VanDerWaalsContact ND1-N 3.14Å; H95-D97 IonicContact ND1-OD2 2.59Å; H95-D97 PolarHBondContact O-N 3.03Å; H95-D97 VanDerWaalsContact O-N 3.11Å; H95-S98 WeakPolarHBondContact O-CB 3.21Å; H95-S98 PolarHBondContact O-N 2.85Å; H95-S98 PolarHBondContact O-OG 2.66Å
96P93.1Very high95.7Very high79 Ų7943 Ų4351%0.51321%0.208SC..G310 helixtrans-52-35.6179.8-29.536000113.9V51 S98V51-P96 HydrophobicContact CG1-CG 4.27Å; P96-S98 PolarHBondContact O-N 3.44Å
97D95.2Very high95.3Very high130 Ų13045.3 Ų45.370%0.69522%0.217SC*.G310 helixtrans-89.510.4179.8-55-37.1000114.6H95 G99H95-D97 IonicContact CE1-OD2 3.87Å; H95-D97 PolarHBondContact CE1-OD2 3.41Å; H95-D97 PolarHBondContact ND1-N 3.44Å; H95-D97 VanDerWaalsContact ND1-N 3.14Å; H95-D97 IonicContact ND1-OD2 2.59Å; H95-D97 PolarHBondContact O-N 3.03Å; H95-D97 VanDerWaalsContact O-N 3.11Å; D97-G99 PolarHBondContact O-N 2.93Å
98S96.9Very high94.5Very high8 Ų846.8 Ų46.86%0.05622%0.222CC..G310 helixtrans-59.7-24.2-177.774.80000112.9R92 Q93 H95 P96 I100 V132R92-S98 WeakPolarHBondContact O-CB 3.48Å; Q93-S98 WeakPolarHBondContact O-CB 3.22Å; Q93-S98 PolarHBondContact O-OG 2.79Å; H95-S98 WeakPolarHBondContact O-CB 3.21Å; H95-S98 PolarHBondContact O-N 2.85Å; H95-S98 PolarHBondContact O-OG 2.66Å; P96-S98 PolarHBondContact O-N 3.44Å; S98-I100 PolarHBondContact O-N 2.79Å; S98-I100 PolarHBondContact OG-N 3.48Å; S98-I100 PolarHBondContact OG-O 2.95Å; S98-V132 VanDerWaalsContact O-CG2 3.3Å; S98-V132 WeakPolarHBondContact O-CG2 3.25Å
99G97.8Very high93.7Very high3 Ų346.8 Ų46.83%0.03123%0.229CC..SBendtrans71.17.2-179.200000114.1D97 T121 W124D97-G99 PolarHBondContact O-N 2.93Å; G99-T121 WeakPolarHBondContact CA-OG1 3.44Å; G99-T121 PolarHBondContact O-N 3.07Å; G99-T121 PolarHBondContact O-OG1 3.09Å; G99-W124 PolarHBondContact O-NE1 3.31Å; G99-W124 VanDerWaalsContact O-NE1 3.14Å
100I97.9Very high93Very high5 Ų549.6 Ų49.63%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-138.8167.3177.965.2165.9000112Q93 S98 I118 V119 T121 W124 I130 V132 L133 I208Q93-I100 HydrophobicContact CB-CD1 4.5Å; Q93-I100 HydrophobicContact CG-CD1 4.2Å; S98-I100 PolarHBondContact O-N 2.79Å; S98-I100 PolarHBondContact OG-N 3.48Å; S98-I100 PolarHBondContact OG-O 2.95Å; I100-I118 HydrophobicContact CB-CG2 3.91Å; I100-I118 HydrophobicContact CD1-CG2 4.1Å; I100-I118 HydrophobicContact CG2-CG2 4.12Å; I100-V119 CarbonylContact C-O 3.6Å; I100-V119 VanDerWaalsContact CA-O 3.25Å; I100-V119 WeakPolarHBondContact CA-O 3.32Å; I100-T121 PolarHBondContact N-OG1 3.11Å; I100-T121 VanDerWaalsContact N-OG1 3.12Å; I100-W124 HydrophobicContact CG2-CZ2 4.28Å; I100-I130 HydrophobicContact CG2-CG2 3.8Å; I100-V132 HydrophobicContact CD1-CG2 3.63Å; I100-V132 HydrophobicContact CG1-CG2 3.75Å; I100-L133 HydrophobicContact CD1-CB 4.2Å; I100-L133 HydrophobicContact CD1-CD1 3.99Å; I100-I208 HydrophobicContact CG2-CD1 3.48Å; I100-I208 VanDerWaalsContact CG2-CD1 3.48Å
101K96.2Very high92.1Very high130 Ų13055.5 Ų55.557%0.56529%0.286SS*.EExtended strand (participates in β ladder)trans-147.4134.2171175.1175.7177.1-178.70110.5V119 T121K101-V119 PolarHBondContact N-O 2.94Å; K101-V119 PolarHBondContact O-N 3.14Å; K101-T121 HydrophobicContact CB-CG2 3.75Å
102V96.6Very high91.4Very high10 Ų1063 Ų636%0.06132%0.319CS..EExtended strand (participates in β ladder)trans-76.8131.516666.70000110F23 Y94 R117 I118 F176F23-V102 HydrophobicContact CE1-CG2 4.03Å; F23-V102 HydrophobicContact CZ-CG2 4.14Å; Y94-V102 WeakPolarHBondContact OH-CG1 3.34Å; V102-R117 WeakPolarHBondContact CA-O 3.29Å; V102-I118 HydrophobicContact CB-CD1 4.04Å; V102-I118 HydrophobicContact CG2-CD1 4.21Å; V102-F176 HydrophobicContact CG2-CD1 4.15Å; V102-F176 HydrophobicContact CG2-CG 4.25Å
103A95.1Very high90.9Very high21 Ų2160.2 Ų60.217%0.17431%0.308CS..EExtended strand (participates in β ladder)trans-137.4155.3-179.300000110.8F23 G116 R117 V119F23-A103 VanDerWaalsContact CE1-C 3.4Å; F23-A103 WeakPolarHBondContact CE1-O 3.1Å; A103-G116 CarbonylContact O-C 3.4Å; A103-G116 VanDerWaalsContact O-CA 3.23Å; A103-G116 WeakPolarHBondContact O-CA 3.27Å; A103-R117 HydrophobicContact CB-CG 4.17Å; A103-R117 PolarHBondContact N-O 2.93Å; A103-R117 PolarHBondContact O-N 2.53Å; A103-V119 HydrophobicContact CB-CG2 4.25Å
104A94.8Very high90.6Very high37 Ų3764 Ų6431%0.30633%0.326SS..EExtended strand (participates in β ladder)trans-66.9145.8173.200000110.7F23F23-A104 HydrophobicContact CB-CB 4.05Å; F23-A104 HydrophobicContact CD1-CB 3.67Å; F23-A104 HydrophobicContact CE1-CB 4.38Å; F23-A104 HydrophobicContact CG-CB 3.89Å
105D90.9Very high90.4Very high3 Ų361.8 Ų61.82%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-126.1130.9175.6-160.4-40.1000110.2R107 G115 R117 N178D105-R107 VanDerWaalsContact OD1-CB 3.28Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 WeakPolarHBondContact OD1-CG 3.33Å; D105-R107 PolarHBondContact OD1-N 3.18Å; D105-R107 IonicContact OD1-NE 2.58Å; D105-R107 PolarHBondContact OD1-NE 3.2Å; D105-R107 VanDerWaalsContact OD1-NE 3.15Å; D105-R107 IonicContact OD2-CZ 3.99Å; D105-R107 VanDerWaalsContact OD2-CZ 3.31Å; D105-R107 IonicContact OD2-NE 3.18Å; D105-R107 PolarHBondContact OD2-NE 2.82Å; D105-R107 VanDerWaalsContact OD2-NE 3.17Å; D105-R107 IonicContact OD2-NH2 2.67Å; D105-R107 PolarHBondContact OD2-NH2 2.95Å; D105-G115 PolarHBondContact N-O 2.82Å; D105-R117 HydrophobicContact CB-CB 4.22Å; D105-R117 HydrophobicContact CB-CG 4.27Å; D105-N178 PolarHBondContact OD2-ND2 3.09Å
106R86Confident90.3Very high218 Ų21859.5 Ų59.582%0.82331%0.31SS*.EExtended strand (participates in β ladder)trans-88.9-13.7-178.9-62.8179.9-179.4168.5-3.5112.9Y108R106-Y108 VanDerWaalsContact C-N 3.33Å
107R88.3Confident90.4Very high49 Ų4960 Ų6019%0.18530%0.301CS..EExtended strand (participates in β ladder)trans-70.9-32.6-179.2-64.2175.2-63.8175.511.3112.1D105 E207 K225D105-R107 VanDerWaalsContact OD1-CB 3.28Å; D105-R107 WeakPolarHBondContact OD1-CB 3.47Å; D105-R107 WeakPolarHBondContact OD1-CG 3.33Å; D105-R107 PolarHBondContact OD1-N 3.18Å; D105-R107 IonicContact OD1-NE 2.58Å; D105-R107 PolarHBondContact OD1-NE 3.2Å; D105-R107 VanDerWaalsContact OD1-NE 3.15Å; D105-R107 IonicContact OD2-CZ 3.99Å; D105-R107 VanDerWaalsContact OD2-CZ 3.31Å; D105-R107 IonicContact OD2-NE 3.18Å; D105-R107 PolarHBondContact OD2-NE 2.82Å; D105-R107 VanDerWaalsContact OD2-NE 3.17Å; D105-R107 IonicContact OD2-NH2 2.67Å; D105-R107 PolarHBondContact OD2-NH2 2.95Å; R107-E207 IonicContact CZ-OE1 3.15Å; R107-E207 IonicContact CZ-OE2 3.31Å; R107-E207 IonicContact NH1-OE2 3.34Å; R107-E207 PolarHBondContact NH1-OE2 2.8Å; R107-E207 IonicContact NH2-OE1 2.85Å; R107-E207 PolarHBondContact NH2-OE1 3.3Å; R107-E207 IonicContact NH2-OE2 2.76Å; R107-E207 PolarHBondContact NH2-OE2 2.93Å; R107-K225 WeakPolarHBondContact CD-O 3.35Å
108Y82.7Confident90.5Very high31 Ų3153.8 Ų53.812%0.12227%0.268CS..EExtended strand (participates in β ladder)trans-124.2112.6-174.2-48.3-65.8000107.7R106 G115 N178 K225R106-Y108 VanDerWaalsContact C-N 3.33Å; Y108-G115 WeakPolarHBondContact O-CA 3.32Å; Y108-G115 PolarHBondContact O-N 3.48Å; Y108-N178 HydrophobicContact CE2-CB 4.1Å; Y108-K225 HydrophobicContact CE1-CB 4.03Å
109G80.8Confident90.6Very high28 Ų2854.4 Ų54.429%0.28927%0.272SS..EExtended strand (participates in β ladder)trans164.5175.7-174.300000112.7
110N81.2Confident90.6Very high77 Ų7754.3 Ų54.341%0.41227%0.271SS..  trans-151.1-170.7172.462.737.8000110.4F112 W113N110-F112 PolarHBondContact O-N 3.12Å; N110-F112 VanDerWaalsContact O-N 3.1Å; N110-F112 WeakPolarHBondContact OD1-CA 3.36Å; N110-F112 WeakPolarHBondContact OD1-CB 3.25Å; N110-F112 PolarHBondContact OD1-N 3.11Å; N110-W113 PolarHBondContact N-O 3.27Å; N110-W113 PolarHBondContact ND2-NE1 3.32Å; N110-W113 PolarHBondContact OD1-N 3.23Å; N110-W113 VanDerWaalsContact OD1-N 3.14Å
111S79.5Confident90.6Very high123 Ų12357.2 Ų57.286%0.8629%0.289SS*.SBendtrans-63-15-178.8-44.30000114.6
112F82.6Confident90.7Very high158 Ų15855 Ų5569%0.69328%0.277SS*.SBendtrans-106.9-27.7-174.2-57.6-75.2000114.3K24 N110K24-F112 WeakPolarHBondContact CD-O 3.22Å; K24-F112 PolarHBondContact NZ-O 2.92Å; N110-F112 PolarHBondContact O-N 3.12Å; N110-F112 VanDerWaalsContact O-N 3.1Å; N110-F112 WeakPolarHBondContact OD1-CA 3.36Å; N110-F112 WeakPolarHBondContact OD1-CB 3.25Å; N110-F112 PolarHBondContact OD1-N 3.11Å
113W87.1Confident90.8Very high37 Ų3758.7 Ų58.714%0.1430%0.301CS..  trans-148.7152.5-179.361.9-100.2000111.6K24 H26 N110 F156K24-W113 WeakPolarHBondContact O-CA 3.28Å; H26-W113 HydrophobicContact CB-CD2 3.87Å; H26-W113 HydrophobicContact CB-CE3 4.28Å; H26-W113 HydrophobicContact CB-CG 4Å; N110-W113 PolarHBondContact N-O 3.27Å; N110-W113 PolarHBondContact ND2-NE1 3.32Å; N110-W113 PolarHBondContact OD1-N 3.23Å; N110-W113 VanDerWaalsContact OD1-N 3.14Å; W113-F156 AromaticContact CH2-CE1 3.93Å; W113-F156 HydrophobicContact CH2-CE1 3.93Å; W113-F156 HydrophobicContact CH2-CE2 4.08Å; W113-F156 AromaticContact CH2-CZ 3.64Å; W113-F156 HydrophobicContact CH2-CZ 3.64Å; W113-F156 HydrophobicContact CZ2-CE1 4.1Å; W113-F156 AromaticContact CZ2-CE2 3.72Å; W113-F156 HydrophobicContact CZ2-CE2 3.72Å; W113-F156 AromaticContact CZ2-CZ 3.36Å; W113-F156 HydrophobicContact CZ2-CZ 3.36Å
114Q88.7Confident90.9Very high91 Ų9158.2 Ų58.243%0.42530%0.295SS..EExtended strand (participates in β ladder)trans-106141.7174.4-69.717565.200109.7F23 K24F23-Q114 HydrophobicContact CB-CB 4.3Å; F23-Q114 HydrophobicContact CD2-CB 3.96Å; F23-Q114 WeakPolarHBondContact CD2-O 3.39Å; F23-Q114 WeakPolarHBondContact CE2-O 3.25Å; F23-Q114 HydrophobicContact CG-CB 4.39Å; K24-Q114 PolarHBondContact O-N 3.31Å
115G90.5Very high91.1Very high5 Ų565.9 Ų65.95%0.05232%0.316CS..EExtended strand (participates in β ladder)trans-68159.9168.300000110F23 D105 Y108F23-G115 WeakPolarHBondContact CE2-O 3.25Å; D105-G115 PolarHBondContact N-O 2.82Å; Y108-G115 WeakPolarHBondContact O-CA 3.32Å; Y108-G115 PolarHBondContact O-N 3.48Å
116G93.7Very high91.5Very high6 Ų670.2 Ų70.26%0.06234%0.342CS..EExtended strand (participates in β ladder)trans-110.3169.1170.900000111.4A103 N178A103-G116 CarbonylContact O-C 3.4Å; A103-G116 VanDerWaalsContact O-CA 3.23Å; A103-G116 WeakPolarHBondContact O-CA 3.27Å; G116-N178 PolarHBondContact O-ND2 3.01Å; G116-N178 PolarHBondContact O-OD1 2.85Å
117R96.1Very high92Very high89 Ų8961.3 Ų61.334%0.33632%0.318SS..EExtended strand (participates in β ladder)trans-142.9159.5165.364.1176.5-173.4-1253.6109.7V102 A103 D105 V119 F176 N178 E207V102-R117 WeakPolarHBondContact CA-O 3.29Å; A103-R117 HydrophobicContact CB-CG 4.17Å; A103-R117 PolarHBondContact N-O 2.93Å; A103-R117 PolarHBondContact O-N 2.53Å; D105-R117 HydrophobicContact CB-CB 4.22Å; D105-R117 HydrophobicContact CB-CG 4.27Å; R117-V119 HydrophobicContact CG-CG2 4.05Å; R117-F176 WeakPolarHBondContact CA-O 3.46Å; R117-N178 WeakPolarHBondContact CB-ND2 3.46Å; R117-E207 HydrophobicContact CB-CG 4.13Å; R117-E207 VanDerWaalsContact CB-OE1 3.27Å; R117-E207 WeakPolarHBondContact CB-OE1 3.45Å
118I97.8Very high92.4Very high0 Ų061.6 Ų61.60%032%0.321CS..EExtended strand (participates in β ladder)trans-103.6128.4171.4-58.1-59.9000108.7I100 V102 L133 F176 V177 E207 I208I100-I118 HydrophobicContact CB-CG2 3.91Å; I100-I118 HydrophobicContact CD1-CG2 4.1Å; I100-I118 HydrophobicContact CG2-CG2 4.12Å; V102-I118 HydrophobicContact CB-CD1 4.04Å; V102-I118 HydrophobicContact CG2-CD1 4.21Å; I118-L133 HydrophobicContact CD1-CD1 4.08Å; I118-L133 HydrophobicContact CG1-CD1 3.84Å; I118-L133 HydrophobicContact CG2-CD1 4.28Å; I118-L133 HydrophobicContact CG2-CD2 4.1Å; I118-F176 HydrophobicContact CD1-CB 3.7Å; I118-F176 HydrophobicContact CG1-CB 3.89Å; I118-V177 HydrophobicContact CB-CG2 4.45Å; I118-V177 HydrophobicContact CG1-CG2 3.98Å; I118-E207 CarbonylContact O-C 3.28Å; I118-E207 WeakPolarHBondContact O-CA 3.41Å; I118-E207 WeakPolarHBondContact O-CG 3.26Å; I118-I208 HydrophobicContact CB-CB 4.24Å; I118-I208 HydrophobicContact CG2-CB 4.07Å; I118-I208 HydrophobicContact CG2-CD1 3.81Å; I118-I208 HydrophobicContact CG2-CG1 4.45Å; I118-I208 PolarHBondContact O-N 2.83Å
119V97.9Very high93Very high22 Ų2262.5 Ų62.513%0.13333%0.33CS..EExtended strand (participates in β ladder)trans-117.2136.5-179.2-178.20000109.3I100 K101 A103 R117 G205 T206I100-V119 CarbonylContact C-O 3.6Å; I100-V119 VanDerWaalsContact CA-O 3.25Å; I100-V119 WeakPolarHBondContact CA-O 3.32Å; K101-V119 PolarHBondContact N-O 2.94Å; K101-V119 PolarHBondContact O-N 3.14Å; A103-V119 HydrophobicContact CB-CG2 4.25Å; R117-V119 HydrophobicContact CG-CG2 4.05Å; V119-G205 WeakPolarHBondContact CG1-O 3.36Å; V119-T206 WeakPolarHBondContact CA-O 3.25Å
120A98.5Very high93.7Very high1 Ų161.2 Ų61.21%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-71.1132.4174.700000111.5I202 G205 T206 I208A120-I202 HydrophobicContact CB-CG2 3.63Å; A120-G205 PolarHBondContact O-N 3.46Å; A120-T206 PolarHBondContact N-O 3Å; A120-I208 HydrophobicContact CB-CD1 4.4Å
121T98Very high94.3Very high66 Ų6661.8 Ų61.841%0.40533%0.327SS..SBendtrans-106-5.317458.60000112.9G99 I100 K101G99-T121 WeakPolarHBondContact CA-OG1 3.44Å; G99-T121 PolarHBondContact O-N 3.07Å; G99-T121 PolarHBondContact O-OG1 3.09Å; I100-T121 PolarHBondContact N-OG1 3.11Å; I100-T121 VanDerWaalsContact N-OG1 3.12Å; K101-T121 HydrophobicContact CB-CG2 3.75Å
122R98Very high95Very high83 Ų8356.8 Ų56.831%0.31329%0.291SS..SBendtrans-135.7159.6169.474.9173-17686.6-19.1109.7W124 E128R122-W124 HydrophobicContact CG-CZ2 4.29Å; R122-W124 VanDerWaalsContact CZ-CE3 3.49Å; R122-W124 VanDerWaalsContact CZ-CZ3 3.49Å; R122-W124 VanDerWaalsContact NH2-CH2 3.25Å; R122-W124 PolarHBondContact O-NE1 3.23Å; R122-E128 IonicContact CZ-OE1 3.95Å; R122-E128 IonicContact NH1-OE1 3.86Å; R122-E128 PolarHBondContact NH1-OE1 3.2Å; R122-E128 VanDerWaalsContact NH1-OE1 3.15Å; R122-E128 IonicContact NH1-OE2 2.76Å; R122-E128 IonicContact NH2-OE1 3.33Å; R122-E128 PolarHBondContact NH2-OE1 2.94Å
123P98.3Very high95.6Very high87 Ų8749.2 Ų49.257%0.56526%0.258SS*.  trans-65.2144.1169.728.2-34.3000110.8I202P123-I202 CarbonylContact C-O 3.52Å; P123-I202 VanDerWaalsContact CA-O 3.25Å; P123-I202 WeakPolarHBondContact CA-O 3.45Å
124W98.5Very high95.7Very high11 Ų1148.5 Ų48.54%0.04226%0.258CS..BIsolated β-bridgetrans-123.4133.6171.8-59.781.4000110.6G99 I100 R122 E128 I130 T198 P201 I202G99-W124 PolarHBondContact O-NE1 3.31Å; G99-W124 VanDerWaalsContact O-NE1 3.14Å; I100-W124 HydrophobicContact CG2-CZ2 4.28Å; R122-W124 HydrophobicContact CG-CZ2 4.29Å; R122-W124 VanDerWaalsContact CZ-CE3 3.49Å; R122-W124 VanDerWaalsContact CZ-CZ3 3.49Å; R122-W124 VanDerWaalsContact NH2-CH2 3.25Å; R122-W124 PolarHBondContact O-NE1 3.23Å; W124-E128 WeakPolarHBondContact CA-OE2 3.38Å; W124-E128 HydrophobicContact CE3-CB 3.91Å; W124-E128 HydrophobicContact CZ3-CB 4.44Å; W124-I130 HydrophobicContact CD2-CD1 4.19Å; W124-I130 HydrophobicContact CD2-CG1 4.02Å; W124-I130 HydrophobicContact CE3-CD1 4.44Å; W124-I130 HydrophobicContact CE3-CG1 3.77Å; W124-I130 HydrophobicContact CH2-CB 4.01Å; W124-I130 HydrophobicContact CH2-CG1 3.89Å; W124-I130 HydrophobicContact CH2-CG2 3.74Å; W124-I130 HydrophobicContact CZ2-CB 4.41Å; W124-I130 HydrophobicContact CZ2-CD1 4.46Å; W124-I130 HydrophobicContact CZ2-CG1 4.12Å; W124-I130 HydrophobicContact CZ2-CG2 3.82Å; W124-I130 HydrophobicContact CZ3-CB 4.15Å; W124-I130 HydrophobicContact CZ3-CG1 3.68Å; W124-I130 HydrophobicContact CZ3-CG2 4.39Å; W124-T198 HydrophobicContact CB-CG2 3.91Å; W124-T198 HydrophobicContact CG-CG2 4.44Å; W124-P201 WeakPolarHBondContact O-CA 3.48Å; W124-I202 HydrophobicContact CB-CB 4.1Å; W124-I202 HydrophobicContact CB-CD1 4.37Å; W124-I202 HydrophobicContact CB-CG1 4.34Å; W124-I202 PolarHBondContact N-O 2.77Å; W124-I202 PolarHBondContact O-N 2.87Å
125R98.4Very high95.9Very high198 Ų19844.3 Ų44.375%0.74724%0.239SC*.  trans-85.1157.4173.7-58.8-177.2-175.8-84.9-0.7110.1G127 E128 T198R125-G127 PolarHBondContact O-N 2.78Å; R125-E128 HydrophobicContact CB-CG 4.28Å; R125-E128 WeakPolarHBondContact CB-OE2 3.27Å; R125-E128 PolarHBondContact N-OE2 3.03Å; R125-E128 PolarHBondContact O-N 3.02Å; R125-T198 WeakPolarHBondContact O-CB 3.48Å; R125-T198 PolarHBondContact O-OG1 3.45Å
126V98.3Very high96Very high94 Ų9445.5 Ų45.557%0.5724%0.243SC*.THydrogen-bonded Turntrans-59.6135.4174.9-178.90000110.2E128V126-E128 VanDerWaalsContact C-N 3.33Å
127G96.8Very high95.9Very high31 Ų3147.4 Ų47.432%0.3225%0.251SS..THydrogen-bonded Turntrans89.2-12.4176.900000114.9R125 R197 T198R125-G127 PolarHBondContact O-N 2.78Å; G127-R197 PolarHBondContact O-NH1 3.33Å; G127-T198 WeakPolarHBondContact CA-O 3.48Å; G127-T198 PolarHBondContact N-O 2.88Å; G127-T198 PolarHBondContact N-OG1 2.83Å
128E97.6Very high95.7Very high55 Ų5543.5 Ų43.526%0.25724%0.238SC..  trans-61.1149.9172.6-74.8-169.575.300111.8R122 W124 R125 V126 R197 T198R122-E128 IonicContact CZ-OE1 3.95Å; R122-E128 IonicContact NH1-OE1 3.86Å; R122-E128 PolarHBondContact NH1-OE1 3.2Å; R122-E128 VanDerWaalsContact NH1-OE1 3.15Å; R122-E128 IonicContact NH1-OE2 2.76Å; R122-E128 IonicContact NH2-OE1 3.33Å; R122-E128 PolarHBondContact NH2-OE1 2.94Å; W124-E128 WeakPolarHBondContact CA-OE2 3.38Å; W124-E128 HydrophobicContact CE3-CB 3.91Å; W124-E128 HydrophobicContact CZ3-CB 4.44Å; R125-E128 HydrophobicContact CB-CG 4.28Å; R125-E128 WeakPolarHBondContact CB-OE2 3.27Å; R125-E128 PolarHBondContact N-OE2 3.03Å; R125-E128 PolarHBondContact O-N 3.02Å; V126-E128 VanDerWaalsContact C-N 3.33Å; E128-R197 WeakPolarHBondContact O-CA 3.45Å; E128-T198 PolarHBondContact N-OG1 3.45Å; E128-T198 PolarHBondContact O-N 2.95Å; E128-T198 PolarHBondContact O-OG1 3.3Å
129V94.9Very high95.3Very high51 Ų5152.3 Ų52.331%0.30927%0.271SS..BIsolated β-bridgetrans-104.4123.1174.9177.70000109.1S131 R195 V196V129-S131 PolarHBondContact O-N 3.06Å; V129-S131 VanDerWaalsContact O-N 3.14Å; V129-R195 HydrophobicContact CG1-CB 4.34Å; V129-V196 CarbonylContact C-O 3.55Å; V129-V196 VanDerWaalsContact CA-O 3.29Å; V129-V196 WeakPolarHBondContact CA-O 3.29Å
130I96.3Very high95Very high0 Ų051.5 Ų51.50%027%0.266CS..  trans-85.581174-46.7-175.2000107.8I100 W124 V132 L133 V196 T198 I208I100-I130 HydrophobicContact CG2-CG2 3.8Å; W124-I130 HydrophobicContact CD2-CD1 4.19Å; W124-I130 HydrophobicContact CD2-CG1 4.02Å; W124-I130 HydrophobicContact CE3-CD1 4.44Å; W124-I130 HydrophobicContact CE3-CG1 3.77Å; W124-I130 HydrophobicContact CH2-CB 4.01Å; W124-I130 HydrophobicContact CH2-CG1 3.89Å; W124-I130 HydrophobicContact CH2-CG2 3.74Å; W124-I130 HydrophobicContact CZ2-CB 4.41Å; W124-I130 HydrophobicContact CZ2-CD1 4.46Å; W124-I130 HydrophobicContact CZ2-CG1 4.12Å; W124-I130 HydrophobicContact CZ2-CG2 3.82Å; W124-I130 HydrophobicContact CZ3-CB 4.15Å; W124-I130 HydrophobicContact CZ3-CG1 3.68Å; W124-I130 HydrophobicContact CZ3-CG2 4.39Å; I130-V132 VanDerWaalsContact C-N 3.3Å; I130-V132 HydrophobicContact CG2-CG2 4.02Å; I130-V132 PolarHBondContact O-N 3.24Å; I130-L133 HydrophobicContact CB-CB 4.26Å; I130-L133 HydrophobicContact CG2-CB 3.75Å; I130-L133 PolarHBondContact O-N 3.49Å; I130-L133 VanDerWaalsContact O-N 3.14Å; I130-V196 HydrophobicContact CB-CB 4.25Å; I130-V196 HydrophobicContact CB-CG1 4.34Å; I130-V196 HydrophobicContact CD1-CG1 4.26Å; I130-V196 HydrophobicContact CG1-CG1 4.38Å; I130-V196 PolarHBondContact N-O 2.58Å; I130-T198 HydrophobicContact CD1-CG2 4.02Å; I130-T198 HydrophobicContact CG1-CG2 4.08Å; I130-I208 HydrophobicContact CD1-CD1 3.57Å; I130-I208 HydrophobicContact CD1-CG1 4.2Å; I130-I208 HydrophobicContact CD1-CG2 4.39Å
131S92.9Very high94.6Very high89 Ų8954.6 Ų54.662%0.62229%0.285SS*.THydrogen-bonded Turntrans-62.4-32.7-17156.40000114.1V129 L133V129-S131 PolarHBondContact O-N 3.06Å; V129-S131 VanDerWaalsContact O-N 3.14Å; S131-L133 PolarHBondContact O-N 3.4Å
132V94.8Very high94.2Very high18 Ų1856.6 Ų56.611%0.10930%0.299CS..THydrogen-bonded Turntrans-68.6-23.6178-61.60000112.8R92 S98 I100 I130 S134R92-V132 HydrophobicContact CB-CB 4.32Å; R92-V132 HydrophobicContact CB-CG1 4.08Å; S98-V132 VanDerWaalsContact O-CG2 3.3Å; S98-V132 WeakPolarHBondContact O-CG2 3.25Å; I100-V132 HydrophobicContact CD1-CG2 3.63Å; I100-V132 HydrophobicContact CG1-CG2 3.75Å; I130-V132 VanDerWaalsContact C-N 3.3Å; I130-V132 HydrophobicContact CG2-CG2 4.02Å; I130-V132 PolarHBondContact O-N 3.24Å; V132-S134 PolarHBondContact O-N 2.88Å
133L94Very high93.9Very high0 Ų059.3 Ų59.30%031%0.313CS..SBendtrans-87.755.9179.4-163.757.6000110.7I100 I118 I130 S131 P173 V177 V196 I208I100-L133 HydrophobicContact CD1-CB 4.2Å; I100-L133 HydrophobicContact CD1-CD1 3.99Å; I118-L133 HydrophobicContact CD1-CD1 4.08Å; I118-L133 HydrophobicContact CG1-CD1 3.84Å; I118-L133 HydrophobicContact CG2-CD1 4.28Å; I118-L133 HydrophobicContact CG2-CD2 4.1Å; I130-L133 HydrophobicContact CB-CB 4.26Å; I130-L133 HydrophobicContact CG2-CB 3.75Å; I130-L133 PolarHBondContact O-N 3.49Å; I130-L133 VanDerWaalsContact O-N 3.14Å; S131-L133 PolarHBondContact O-N 3.4Å; L133-P173 HydrophobicContact CD1-CB 4.11Å; L133-P173 WeakPolarHBondContact CD1-O 3.48Å; L133-V177 HydrophobicContact CD1-CG2 4Å; L133-V177 HydrophobicContact CD2-CG2 3.4Å; L133-V177 VanDerWaalsContact CD2-CG2 3.4Å; L133-V177 HydrophobicContact CG-CG2 3.93Å; L133-V196 HydrophobicContact CB-CB 4.46Å; L133-V196 HydrophobicContact CB-CG2 4.09Å; L133-V196 HydrophobicContact CD2-CB 4.47Å; L133-V196 HydrophobicContact CD2-CG1 4.21Å; L133-V196 HydrophobicContact CD2-CG2 4.15Å; L133-V196 HydrophobicContact CG-CG2 4.03Å; L133-V196 WeakPolarHBondContact O-CG2 3.42Å; L133-I208 HydrophobicContact CD2-CG2 3.85Å
134S90Very high93.7Very high21 Ų2156.9 Ų56.915%0.14729%0.294CS..  trans-91.4176.7-176.759.30000112.2V132 P173 V174V132-S134 PolarHBondContact O-N 2.88Å; S134-P173 WeakPolarHBondContact O-CB 3.27Å; S134-P173 WeakPolarHBondContact O-CD 3.38Å; S134-P173 WeakPolarHBondContact O-CG 3.2Å; S134-V174 WeakPolarHBondContact O-CB 3.41Å; S134-V174 PolarHBondContact O-N 3.35Å
135G92.6Very high93.2Very high3 Ų357.3 Ų57.33%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-177.4-178.5177.400000111.9L171 V194G135-L171 CarbonylContact C-O 3.46Å; G135-L171 WeakPolarHBondContact CA-O 3.09Å; G135-V194 VanDerWaalsContact N-CG2 3.35Å; G135-V194 WeakPolarHBondContact O-CG2 3.04Å; G135-V194 PolarHBondContact O-N 3.02Å
136K93.2Very high92.8Very high31 Ų3151.9 Ų51.914%0.13529%0.294CS..EExtended strand (participates in β ladder)trans-125.7142.5177.8-67.6-169.5175.3-1620110.7L6 M89 L171 S192L6-K136 HydrophobicContact CD1-CB 3.85Å; L6-K136 HydrophobicContact CD1-CD 4.18Å; L6-K136 HydrophobicContact CD2-CB 4.07Å; M89-K136 HydrophobicContact CE-CD 4.4Å; M89-K136 HydrophobicContact CE-CG 4.08Å; K136-L171 PolarHBondContact N-O 3.4Å; K136-L171 PolarHBondContact O-N 3.01Å; K136-S192 WeakPolarHBondContact CA-O 3.33Å
137M90.7Very high92.4Very high45 Ų4553.5 Ų53.522%0.22230%0.295CS..EExtended strand (participates in β ladder)trans-103.6129.5170.9-165.668.87500109.7V159 S168 L169 L170 S192M137-V159 HydrophobicContact CE-CB 4.3Å; M137-V159 HydrophobicContact CE-CG1 4.45Å; M137-V159 HydrophobicContact CE-CG2 4.13Å; M137-V159 HydrophobicContact SD-CB 4.43Å; M137-V159 HydrophobicContact SD-CG2 4.48Å; M137-S168 WeakPolarHBondContact SD-CB 3.45Å; M137-L169 CarbonylContact C-O 3.31Å; M137-L169 WeakPolarHBondContact CA-O 3.16Å; M137-L169 VanDerWaalsContact SD-O 3.36Å; M137-L170 HydrophobicContact CE-CB 3.9Å; M137-L170 HydrophobicContact CE-CD1 3.86Å; M137-L170 HydrophobicContact CE-CD2 4.31Å; M137-L170 HydrophobicContact CE-CG 4.24Å; M137-L170 HydrophobicContact SD-CB 3.91Å; M137-L170 HydrophobicContact SD-CD1 4.43Å; M137-S192 PolarHBondContact N-O 3.08Å
138A92Very high92.1Very high7 Ų753.6 Ų53.66%0.05829%0.288CS..EExtended strand (participates in β ladder)trans-125.2124.3171.400000110.2A3 L6 L140 S168 L169A3-A138 HydrophobicContact CB-CB 4.21Å; L6-A138 HydrophobicContact CB-CB 4.45Å; L6-A138 HydrophobicContact CD2-CB 3.64Å; A138-L140 PolarHBondContact O-N 3.17Å; A138-S168 CarbonylContact O-C 3.57Å; A138-S168 VanDerWaalsContact O-CA 3.25Å; A138-S168 WeakPolarHBondContact O-CA 3.44Å; A138-L169 PolarHBondContact N-O 3.48Å; A138-L169 PolarHBondContact O-N 3.37Å
139R90.5Very high91.8Very high186 Ų18651.9 Ų51.970%0.70228%0.28SS*.EExtended strand (participates in β ladder)trans-64.6134.9177-172.3177.2179.3-153.50.4110
140L90.3Very high91.5Very high5 Ų552.4 Ų52.43%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-90.1123.2170.4-70.9165000109A3 A138 Q144 E145 L148 I149 V158 A167 L169A3-L140 HydrophobicContact CB-CD2 3.61Å; A3-L140 HydrophobicContact CB-CG 4.46Å; A138-L140 PolarHBondContact O-N 3.17Å; L140-Q144 HydrophobicContact CD2-CB 4.05Å; L140-E145 HydrophobicContact CB-CB 4.29Å; L140-E145 HydrophobicContact CD1-CG 4.49Å; L140-L148 HydrophobicContact CD2-CD1 4.28Å; L140-I149 HydrophobicContact CD1-CD1 4.29Å; L140-I149 HydrophobicContact CD1-CG1 4.07Å; L140-V158 HydrophobicContact CD1-CG1 4.47Å; L140-V158 HydrophobicContact CD1-CG2 4.44Å; L140-A167 HydrophobicContact CB-CB 4.28Å; L140-A167 WeakPolarHBondContact CB-O 3.42Å; L140-A167 HydrophobicContact CD1-CB 4Å; L140-A167 PolarHBondContact N-O 3.3Å; L140-L169 HydrophobicContact CD1-CD2 4.22Å; L140-L169 HydrophobicContact CD1-CG 3.92Å; L140-L169 HydrophobicContact CD2-CD1 4.04Å; L140-L169 HydrophobicContact CD2-CG 4Å; L140-L169 HydrophobicContact CG-CG 4.02Å
141T91.5Very high90.9Very high66 Ų6657 Ų5741%0.40531%0.305SS..PPolyproline II helixtrans-68.8155.5160.560.70000109.6K143 Q144 E145T141-K143 PolarHBondContact O-N 2.96Å; T141-K143 VanDerWaalsContact O-N 3.15Å; T141-Q144 PolarHBondContact O-N 3.39Å; T141-Q144 VanDerWaalsContact O-N 3.09Å; T141-Q144 WeakPolarHBondContact OG1-CB 3.47Å; T141-Q144 VanDerWaalsContact OG1-CG 3.28Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.32Å; T141-Q144 PolarHBondContact OG1-N 3.18Å; T141-Q144 VanDerWaalsContact OG1-N 3.13Å; T141-Q144 PolarHBondContact OG1-OE1 2.98Å; T141-E145 WeakPolarHBondContact O-CB 3.49Å; T141-E145 PolarHBondContact O-N 3.5Å
142P89.3Confident90.2Very high107 Ų10754.7 Ų54.770%0.69530%0.296SS*.Hα-helixtrans-53.6-34.8174.8-2835.7000113.5A146P142-A146 WeakPolarHBondContact O-CB 3.49Å; P142-A146 PolarHBondContact O-N 2.82Å; P142-A146 VanDerWaalsContact O-N 3.1Å
143K91.7Very high89.7Confident141 Ų14160.3 Ų60.361%0.61332%0.315SS*.Hα-helixtrans-65.6-51.6174.6-177.8179.1177.1-179.30111.9T141 E145 A146 E147T141-K143 PolarHBondContact O-N 2.96Å; T141-K143 VanDerWaalsContact O-N 3.15Å; K143-E145 VanDerWaalsContact C-N 3.28Å; K143-E145 PolarHBondContact O-N 3.37Å; K143-A146 PolarHBondContact O-N 2.91Å; K143-E147 WeakPolarHBondContact CE-OE1 3.28Å; K143-E147 HydrophobicContact CG-CG 4.48Å; K143-E147 WeakPolarHBondContact CG-OE1 3.48Å; K143-E147 IonicContact NZ-OE1 3.15Å; K143-E147 WeakPolarHBondContact O-CB 3.25Å; K143-E147 WeakPolarHBondContact O-CG 3.46Å; K143-E147 PolarHBondContact O-N 3.05Å
144Q92.6Very high89.5Confident36 Ų3660.4 Ų60.417%0.16832%0.315CS..Hα-helixtrans-61.9-37.3177-76.3166.5-4000111.9L140 T141 E147 L148L140-Q144 HydrophobicContact CD2-CB 4.05Å; T141-Q144 PolarHBondContact O-N 3.39Å; T141-Q144 VanDerWaalsContact O-N 3.09Å; T141-Q144 WeakPolarHBondContact OG1-CB 3.47Å; T141-Q144 VanDerWaalsContact OG1-CG 3.28Å; T141-Q144 WeakPolarHBondContact OG1-CG 3.32Å; T141-Q144 PolarHBondContact OG1-N 3.18Å; T141-Q144 VanDerWaalsContact OG1-N 3.13Å; T141-Q144 PolarHBondContact OG1-OE1 2.98Å; Q144-E147 PolarHBondContact O-N 3Å; Q144-L148 HydrophobicContact CB-CD1 3.99Å; Q144-L148 HydrophobicContact CB-CG 4.44Å; Q144-L148 HydrophobicContact CG-CD1 4.32Å; Q144-L148 WeakPolarHBondContact O-CA 3.3Å; Q144-L148 WeakPolarHBondContact O-CB 3.31Å; Q144-L148 WeakPolarHBondContact O-CG 3.15Å; Q144-L148 PolarHBondContact O-N 2.83Å
145E89.5Confident89.2Confident20 Ų2060 Ų609%0.09331%0.312CS..Hα-helixtrans-60.1-47.3175.7-167.5-179.3-171.500110.9L140 T141 K143 E147 I149 K264 Y265L140-E145 HydrophobicContact CB-CB 4.29Å; L140-E145 HydrophobicContact CD1-CG 4.49Å; T141-E145 WeakPolarHBondContact O-CB 3.49Å; T141-E145 PolarHBondContact O-N 3.5Å; K143-E145 VanDerWaalsContact C-N 3.28Å; K143-E145 PolarHBondContact O-N 3.37Å; E145-E147 PolarHBondContact O-N 2.9Å; E145-I149 VanDerWaalsContact O-CB 3.27Å; E145-I149 WeakPolarHBondContact O-CB 3.19Å; E145-I149 PolarHBondContact O-N 2.73Å; E145-I149 VanDerWaalsContact O-N 3.1Å; E145-K264 WeakPolarHBondContact OE1-CD 3.28Å; E145-K264 WeakPolarHBondContact OE1-CE 3.46Å; E145-K264 IonicContact OE1-NZ 3.17Å; E145-K264 PolarHBondContact OE1-NZ 3.42Å; E145-K264 IonicContact OE2-NZ 3.51Å; E145-K264 PolarHBondContact OE2-NZ 3.4Å; E145-Y265 WeakPolarHBondContact CG-OH 3.17Å; E145-Y265 WeakPolarHBondContact OE1-CE2 3.33Å; E145-Y265 VanDerWaalsContact OE1-CZ 3.29Å; E145-Y265 PolarHBondContact OE1-OH 2.93Å
146A89.6Confident88.7Confident83 Ų8362.2 Ų62.269%0.68632%0.321SS*.Hα-helixtrans-67.8-32178.300000113.9P142 K143P142-A146 WeakPolarHBondContact O-CB 3.49Å; P142-A146 PolarHBondContact O-N 2.82Å; P142-A146 VanDerWaalsContact O-N 3.1Å; K143-A146 PolarHBondContact O-N 2.91Å
147E90.6Very high88.3Confident128 Ų12861.2 Ų61.260%0.59832%0.317SS*.Hα-helixtrans-89.1-34.1-177-71173.3176.400113.5K143 Q144 E145K143-E147 WeakPolarHBondContact CE-OE1 3.28Å; K143-E147 HydrophobicContact CG-CG 4.48Å; K143-E147 WeakPolarHBondContact CG-OE1 3.48Å; K143-E147 IonicContact NZ-OE1 3.15Å; K143-E147 WeakPolarHBondContact O-CB 3.25Å; K143-E147 WeakPolarHBondContact O-CG 3.46Å; K143-E147 PolarHBondContact O-N 3.05Å; Q144-E147 PolarHBondContact O-N 3Å; E145-E147 PolarHBondContact O-N 2.9Å
148L90.2Very high88.1Confident33 Ų3359.2 Ų59.217%0.17331%0.307CS..Hα-helixtrans-96.5-30.8-173.6-57.1179.1000112.8A3 L4 L140 Q144 N154A3-L148 HydrophobicContact CB-CD1 4.09Å; L4-L148 HydrophobicContact CB-CD1 4.19Å; L4-L148 HydrophobicContact CB-CD2 4.44Å; L4-L148 HydrophobicContact CD1-CD2 3.71Å; L140-L148 HydrophobicContact CD2-CD1 4.28Å; Q144-L148 HydrophobicContact CB-CD1 3.99Å; Q144-L148 HydrophobicContact CB-CG 4.44Å; Q144-L148 HydrophobicContact CG-CD1 4.32Å; Q144-L148 WeakPolarHBondContact O-CA 3.3Å; Q144-L148 WeakPolarHBondContact O-CB 3.31Å; Q144-L148 WeakPolarHBondContact O-CG 3.15Å; Q144-L148 PolarHBondContact O-N 2.83Å; L148-N154 PolarHBondContact O-ND2 3.5Å
149I91.5Very high87.6Confident19 Ų1961.8 Ų61.810%0.09732%0.323CS..  trans-104.5118.6-169.7-47.4-57.9000110.2M28 L140 E145 D155 V158 L169 Y265M28-I149 HydrophobicContact CE-CD1 3.64Å; L140-I149 HydrophobicContact CD1-CD1 4.29Å; L140-I149 HydrophobicContact CD1-CG1 4.07Å; E145-I149 VanDerWaalsContact O-CB 3.27Å; E145-I149 WeakPolarHBondContact O-CB 3.19Å; E145-I149 PolarHBondContact O-N 2.73Å; E145-I149 VanDerWaalsContact O-N 3.1Å; I149-D155 HydrophobicContact CG2-CB 3.62Å; I149-V158 HydrophobicContact CD1-CG2 4.06Å; I149-V158 HydrophobicContact CG1-CG2 4.29Å; I149-V158 HydrophobicContact CG2-CG2 4.11Å; I149-L169 HydrophobicContact CD1-CD2 3.84Å; I149-Y265 HydrophobicContact CG2-CE1 4.05Å
150V88.7Confident87Confident62 Ų6256.1 Ų56.138%0.37631%0.308SS..  trans-109.2110.4171.3-174.70000107.7L30 G152 R153 N154L30-V150 HydrophobicContact CD1-CB 4.11Å; L30-V150 HydrophobicContact CD1-CG2 3.78Å; V150-G152 PolarHBondContact O-N 2.96Å; V150-R153 HydrophobicContact CB-CB 4.2Å; V150-R153 HydrophobicContact CG1-CB 4.2Å; V150-R153 HydrophobicContact CG1-CG 4.09Å; V150-R153 PolarHBondContact O-N 3.4Å; V150-N154 PolarHBondContact N-OD1 3.29Å; V150-N154 PolarHBondContact O-N 3.1Å; V150-N154 PolarHBondContact O-OD1 2.91Å
151E82.2Confident86.1Confident97 Ų9759.7 Ų59.745%0.45333%0.325SS..THydrogen-bonded Turntrans-49.4131-179.8-167.1-161.5124.400111.5R153 D155 R268E151-R153 PolarHBondContact O-N 3.3Å; E151-D155 WeakPolarHBondContact CA-OD2 3.44Å; E151-R268 IonicContact OE1-CZ 3.58Å; E151-R268 IonicContact OE1-NE 3.32Å; E151-R268 PolarHBondContact OE1-NE 3.24Å; E151-R268 IonicContact OE1-NH2 2.93Å; E151-R268 PolarHBondContact OE1-NH2 2.86Å
152G79.9Confident84.9Confident41 Ų4162.6 Ų62.642%0.42334%0.343SS..THydrogen-bonded Turntrans73.91.3-179.500000115.6V150 D155V150-G152 PolarHBondContact O-N 2.96Å; G152-D155 WeakPolarHBondContact CA-OD1 3.12Å; G152-D155 PolarHBondContact N-OD1 3.34Å; G152-D155 PolarHBondContact N-OD2 2.97Å
153R84Confident83.8Confident135 Ų13569 Ų6951%0.50935%0.353SS..THydrogen-bonded Turntrans-116.6-42.8178.3-63.5-172.366.3-174.3-1.5113.6L30 V150 E151 F156L30-R153 HydrophobicContact CD1-CB 4.4Å; L30-R153 HydrophobicContact CD2-CB 3.89Å; V150-R153 HydrophobicContact CB-CB 4.2Å; V150-R153 HydrophobicContact CG1-CB 4.2Å; V150-R153 HydrophobicContact CG1-CG 4.09Å; V150-R153 PolarHBondContact O-N 3.4Å; E151-R153 PolarHBondContact O-N 3.3Å; R153-F156 WeakPolarHBondContact O-CE2 3.2Å
154N88.3Confident82.6Confident2 Ų269.1 Ų69.11%0.01135%0.353CS..SBendtrans-144.922.5-178.169.1-11.2000113.6M28 L30 L148 V150M28-N154 HydrophobicContact CE-CB 4.31Å; M28-N154 WeakPolarHBondContact CE-O 3.38Å; M28-N154 PolarHBondContact O-ND2 3.39Å; M28-N154 HydrophobicContact SD-CB 4.23Å; L30-N154 HydrophobicContact CD2-CB 4.24Å; L148-N154 PolarHBondContact O-ND2 3.5Å; V150-N154 PolarHBondContact N-OD1 3.29Å; V150-N154 PolarHBondContact O-N 3.1Å; V150-N154 PolarHBondContact O-OD1 2.91Å
155D84Confident81.6Confident13 Ų1374.3 Ų74.37%0.0738%0.382CS..  trans-90.62.1-179.259.2-21.9000114.2I149 E151 G152 S157 V158 Y265I149-D155 HydrophobicContact CG2-CB 3.62Å; E151-D155 WeakPolarHBondContact CA-OD2 3.44Å; G152-D155 WeakPolarHBondContact CA-OD1 3.12Å; G152-D155 PolarHBondContact N-OD1 3.34Å; G152-D155 PolarHBondContact N-OD2 2.97Å; D155-S157 VanDerWaalsContact C-N 3.25Å; D155-S157 PolarHBondContact O-N 2.85Å; D155-V158 HydrophobicContact CB-CG2 4.37Å; D155-V158 WeakPolarHBondContact O-CB 3.37Å; D155-V158 PolarHBondContact O-N 2.74Å; D155-V158 VanDerWaalsContact O-N 3.15Å; D155-Y265 HydrophobicContact CB-CD1 4.11Å; D155-Y265 HydrophobicContact CB-CE1 4.23Å
156F82.8Confident81.1Confident50 Ų5074 Ų7422%0.21938%0.382CS..THydrogen-bonded Turntrans-60-31.7-176.1-55.4-76.2000114.1H26 W113 R153 Y216 L267H26-F156 AromaticContact CD2-CD2 3.65Å; H26-F156 AromaticContact CE1-CD2 3.69Å; H26-F156 AromaticContact CE1-CG 3.97Å; H26-F156 AromaticContact CG-CD2 3.82Å; H26-F156 AromaticContact ND1-CD2 3.84Å; H26-F156 AromaticContact NE2-CD2 3.57Å; W113-F156 AromaticContact CH2-CE1 3.93Å; W113-F156 HydrophobicContact CH2-CE1 3.93Å; W113-F156 HydrophobicContact CH2-CE2 4.08Å; W113-F156 AromaticContact CH2-CZ 3.64Å; W113-F156 HydrophobicContact CH2-CZ 3.64Å; W113-F156 HydrophobicContact CZ2-CE1 4.1Å; W113-F156 AromaticContact CZ2-CE2 3.72Å; W113-F156 HydrophobicContact CZ2-CE2 3.72Å; W113-F156 AromaticContact CZ2-CZ 3.36Å; W113-F156 HydrophobicContact CZ2-CZ 3.36Å; R153-F156 WeakPolarHBondContact O-CE2 3.2Å; F156-Y216 PolarHBondContact O-OH 3.32Å; F156-L267 HydrophobicContact CD1-CD1 4.38Å; F156-L267 HydrophobicContact CE1-CD1 4.05Å
157S84.8Confident81Confident10 Ų1070.2 Ų70.27%0.0735%0.351CS..THydrogen-bonded Turntrans-94.98.3-177.9-75.70000113.8D155 V159 L170D155-S157 VanDerWaalsContact C-N 3.25Å; D155-S157 PolarHBondContact O-N 2.85Å; S157-V159 PolarHBondContact O-N 3.39Å; S157-L170 VanDerWaalsContact CB-O 3.24Å; S157-L170 WeakPolarHBondContact CB-O 3.29Å; S157-L170 PolarHBondContact O-N 2.58Å; S157-L170 PolarHBondContact OG-O 3Å
158V85.6Confident80.9Confident2 Ų265.2 Ų65.21%0.01233%0.331CS..EExtended strand (participates in β ladder)trans-80.3120.8179-177.80000110.4L140 I149 D155 V160 A167 L169 Y265L140-V158 HydrophobicContact CD1-CG1 4.47Å; L140-V158 HydrophobicContact CD1-CG2 4.44Å; I149-V158 HydrophobicContact CD1-CG2 4.06Å; I149-V158 HydrophobicContact CG1-CG2 4.29Å; I149-V158 HydrophobicContact CG2-CG2 4.11Å; D155-V158 HydrophobicContact CB-CG2 4.37Å; D155-V158 WeakPolarHBondContact O-CB 3.37Å; D155-V158 PolarHBondContact O-N 2.74Å; D155-V158 VanDerWaalsContact O-N 3.15Å; V158-V160 HydrophobicContact CG1-CG2 4.28Å; V158-A167 HydrophobicContact CG1-CB 3.94Å; V158-L169 HydrophobicContact CG2-CD2 3.94Å; V158-Y265 HydrophobicContact CB-CD1 4.29Å; V158-Y265 HydrophobicContact CB-CE1 4.13Å; V158-Y265 HydrophobicContact CG1-CD1 4.28Å; V158-Y265 HydrophobicContact CG1-CD2 4.1Å; V158-Y265 HydrophobicContact CG1-CE1 3.92Å; V158-Y265 HydrophobicContact CG1-CE2 3.72Å; V158-Y265 HydrophobicContact CG1-CG 4.33Å; V158-Y265 HydrophobicContact CG2-CE1 4.06Å
159V83.1Confident81Confident62 Ų6263.7 Ų63.738%0.37632%0.322SS..EExtended strand (participates in β ladder)trans-103.3123.4173-178.20000108.7M137 S157 A167 S168 L170M137-V159 HydrophobicContact CE-CB 4.3Å; M137-V159 HydrophobicContact CE-CG1 4.45Å; M137-V159 HydrophobicContact CE-CG2 4.13Å; M137-V159 HydrophobicContact SD-CB 4.43Å; M137-V159 HydrophobicContact SD-CG2 4.48Å; S157-V159 PolarHBondContact O-N 3.39Å; V159-A167 WeakPolarHBondContact O-CA 3.5Å; V159-S168 PolarHBondContact N-O 3.32Å; V159-S168 PolarHBondContact O-N 2.91Å; V159-L170 HydrophobicContact CG2-CB 3.7Å; V159-L170 HydrophobicContact CG2-CD2 4.12Å
160V77.3Confident81Confident66 Ų6663.4 Ų63.440%0.432%0.321SS..EExtended strand (participates in β ladder)trans-104.3123.7-178.2-174.50000110.3V158 Y265V158-V160 HydrophobicContact CG1-CG2 4.28Å; V160-Y265 HydrophobicContact CG2-CD2 3.33Å; V160-Y265 HydrophobicContact CG2-CE2 3.85Å; V160-Y265 HydrophobicContact CG2-CG 4.2Å
161E71.6Confident81.4Confident81 Ų8160.6 Ų60.638%0.37930%0.304SS..EExtended strand (participates in β ladder)trans-91.8101.6167.2-171.8174.7-173.100109.5R163 K164 N165 S166E161-R163 VanDerWaalsContact C-N 3.31Å; E161-R163 PolarHBondContact O-N 3.21Å; E161-K164 HydrophobicContact CG-CB 4.28Å; E161-K164 HydrophobicContact CG-CG 4.27Å; E161-K164 PolarHBondContact O-N 2.8Å; E161-K164 WeakPolarHBondContact OE1-CE 3.18Å; E161-K164 IonicContact OE1-NZ 3.62Å; E161-K164 PolarHBondContact OE1-NZ 3.46Å; E161-K164 WeakPolarHBondContact OE2-CD 3.49Å; E161-K164 IonicContact OE2-NZ 2.64Å; E161-K164 PolarHBondContact OE2-NZ 3.07Å; E161-N165 PolarHBondContact O-N 3.04Å; E161-N165 VanDerWaalsContact O-N 3.09Å; E161-S166 PolarHBondContact N-O 2.98Å; E161-S166 PolarHBondContact O-N 3.35Å
162T65.7Low82Confident126 Ų12656 Ų5677%0.77328%0.282SS*.G310 helixtrans-60-38.1-175-43.30000113K164 N165T162-K164 VanDerWaalsContact C-N 3.34Å; T162-K164 PolarHBondContact O-N 3.29Å; T162-N165 PolarHBondContact O-N 3.25Å
163R66.7Low82.7Confident243 Ų24354 Ų5492%0.91726%0.262SS*.G310 helixtrans-67.2-33.6-176.6-68.4-175.2-179.3178.2-0.2113.2E161E161-R163 VanDerWaalsContact C-N 3.31Å; E161-R163 PolarHBondContact O-N 3.21Å
164K66.9Low83.2Confident142 Ų14247.7 Ų47.762%0.61724%0.238SC*.G310 helixtrans-100.60.5-177.9-61.3-162.8-169.2105.80113.1E161 T162 S166E161-K164 HydrophobicContact CG-CB 4.28Å; E161-K164 HydrophobicContact CG-CG 4.27Å; E161-K164 PolarHBondContact O-N 2.8Å; E161-K164 WeakPolarHBondContact OE1-CE 3.18Å; E161-K164 IonicContact OE1-NZ 3.62Å; E161-K164 PolarHBondContact OE1-NZ 3.46Å; E161-K164 WeakPolarHBondContact OE2-CD 3.49Å; E161-K164 IonicContact OE2-NZ 2.64Å; E161-K164 PolarHBondContact OE2-NZ 3.07Å; T162-K164 VanDerWaalsContact C-N 3.34Å; T162-K164 PolarHBondContact O-N 3.29Å; K164-S166 PolarHBondContact O-N 3.17Å; K164-S166 VanDerWaalsContact O-N 3.16Å
165N71.8Confident83.5Confident145 Ų14549 Ų4978%0.77525%0.25SC*.THydrogen-bonded Turntrans45.542.7-171.7-165.734.9000112.2E161 T162E161-N165 PolarHBondContact O-N 3.04Å; E161-N165 VanDerWaalsContact O-N 3.09Å; T162-N165 PolarHBondContact O-N 3.25Å
166S78.6Confident84.1Confident14 Ų1449.2 Ų49.210%0.09825%0.25CC..EExtended strand (participates in β ladder)trans-121.3140.1-175.760.40000111.1E161 K164E161-S166 PolarHBondContact N-O 2.98Å; E161-S166 PolarHBondContact O-N 3.35Å; K164-S166 PolarHBondContact O-N 3.17Å; K164-S166 VanDerWaalsContact O-N 3.16Å
167A87Confident84.7Confident4 Ų446.9 Ų46.93%0.03324%0.24CC..EExtended strand (participates in β ladder)trans-103.4148.2173.100000110.4L140 V158 V159 Y265L140-A167 HydrophobicContact CB-CB 4.28Å; L140-A167 WeakPolarHBondContact CB-O 3.42Å; L140-A167 HydrophobicContact CD1-CB 4Å; L140-A167 PolarHBondContact N-O 3.3Å; V158-A167 HydrophobicContact CG1-CB 3.94Å; V159-A167 WeakPolarHBondContact O-CA 3.5Å; A167-Y265 HydrophobicContact CB-CE2 4.43Å
168S89.4Confident85.1Confident23 Ų2347.2 Ų47.216%0.16124%0.241CC..EExtended strand (participates in β ladder)trans-136.6148.3172.2-61.70000109.6M137 A138 V159M137-S168 WeakPolarHBondContact SD-CB 3.45Å; A138-S168 CarbonylContact O-C 3.57Å; A138-S168 VanDerWaalsContact O-CA 3.25Å; A138-S168 WeakPolarHBondContact O-CA 3.44Å; V159-S168 PolarHBondContact N-O 3.32Å; V159-S168 PolarHBondContact O-N 2.91Å
169L91.4Very high85.6Confident0 Ų047.2 Ų47.20%024%0.241CC..EExtended strand (participates in β ladder)trans-87.5127.6168.5-75179.3000110.3A3 M28 M137 A138 L140 I149 V158 L171A3-L169 HydrophobicContact CB-CD1 4.02Å; M28-L169 HydrophobicContact CE-CD1 4.03Å; M28-L169 HydrophobicContact CE-CD2 3.82Å; M137-L169 CarbonylContact C-O 3.31Å; M137-L169 WeakPolarHBondContact CA-O 3.16Å; M137-L169 VanDerWaalsContact SD-O 3.36Å; A138-L169 PolarHBondContact N-O 3.48Å; A138-L169 PolarHBondContact O-N 3.37Å; L140-L169 HydrophobicContact CD1-CD2 4.22Å; L140-L169 HydrophobicContact CD1-CG 3.92Å; L140-L169 HydrophobicContact CD2-CD1 4.04Å; L140-L169 HydrophobicContact CD2-CG 4Å; L140-L169 HydrophobicContact CG-CG 4.02Å; I149-L169 HydrophobicContact CD1-CD2 3.84Å; V158-L169 HydrophobicContact CG2-CD2 3.94Å; L169-L171 HydrophobicContact CB-CD1 4.35Å; L169-L171 HydrophobicContact CB-CG 4.39Å; L169-L171 HydrophobicContact CD1-CD1 4.29Å
170L92.5Very high86.2Confident14 Ų1444.6 Ų44.67%0.07323%0.225CC..EExtended strand (participates in β ladder)trans-105.6107.3169.517958000109.7M137 S157 V159 V174 L187 V194M137-L170 HydrophobicContact CE-CB 3.9Å; M137-L170 HydrophobicContact CE-CD1 3.86Å; M137-L170 HydrophobicContact CE-CD2 4.31Å; M137-L170 HydrophobicContact CE-CG 4.24Å; M137-L170 HydrophobicContact SD-CB 3.91Å; M137-L170 HydrophobicContact SD-CD1 4.43Å; S157-L170 VanDerWaalsContact CB-O 3.24Å; S157-L170 WeakPolarHBondContact CB-O 3.29Å; S157-L170 PolarHBondContact O-N 2.58Å; S157-L170 PolarHBondContact OG-O 3Å; V159-L170 HydrophobicContact CG2-CB 3.7Å; V159-L170 HydrophobicContact CG2-CD2 4.12Å; L170-V174 HydrophobicContact CD1-CG1 3.66Å; L170-V174 HydrophobicContact CD2-CG1 4.24Å; L170-V174 HydrophobicContact CG-CG1 3.88Å; L170-L187 HydrophobicContact CD2-CD1 3.77Å; L170-V194 HydrophobicContact CD1-CB 4.47Å; L170-V194 HydrophobicContact CD1-CG1 3.82Å; L170-V194 HydrophobicContact CD1-CG2 4.04Å
171L95.4Very high87.1Confident2 Ų243.7 Ų43.71%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-126163.1-175.8-65.5173.8000111.5L6 D10 M28 G135 K136 L169L6-L171 HydrophobicContact CB-CD1 4.4Å; L6-L171 HydrophobicContact CD1-CB 4.35Å; L6-L171 HydrophobicContact CD2-CB 4.04Å; L6-L171 HydrophobicContact CD2-CD1 4.1Å; L6-L171 HydrophobicContact CD2-CG 4.39Å; L6-L171 HydrophobicContact CG-CB 3.97Å; L6-L171 HydrophobicContact CG-CD1 3.74Å; L6-L171 HydrophobicContact CG-CG 4.37Å; D10-L171 HydrophobicContact CB-CB 3.99Å; D10-L171 HydrophobicContact CB-CD1 4.09Å; D10-L171 HydrophobicContact CB-CD2 4.49Å; D10-L171 HydrophobicContact CB-CG 4.41Å; M28-L171 HydrophobicContact CG-CD1 4.27Å; M28-L171 HydrophobicContact CG-CD2 4.23Å; M28-L171 HydrophobicContact SD-CD2 4.32Å; G135-L171 CarbonylContact C-O 3.46Å; G135-L171 WeakPolarHBondContact CA-O 3.09Å; K136-L171 PolarHBondContact N-O 3.4Å; K136-L171 PolarHBondContact O-N 3.01Å; L169-L171 HydrophobicContact CB-CD1 4.35Å; L169-L171 HydrophobicContact CB-CG 4.39Å; L169-L171 HydrophobicContact CD1-CD1 4.29Å
172G95.3Very high88.3Confident0 Ų047.4 Ų47.40%023%0.231CC..SBendtrans106.4-174.2-171.300000113.2D10 Y90 V174 A175D10-G172 VanDerWaalsContact OD1-CA 3.3Å; D10-G172 WeakPolarHBondContact OD1-CA 3.17Å; D10-G172 PolarHBondContact OD1-N 2.86Å; Y90-G172 VanDerWaalsContact OH-C 3.31Å; Y90-G172 PolarHBondContact OH-O 3.11Å; G172-V174 PolarHBondContact O-N 3.47Å; G172-A175 VanDerWaalsContact O-CB 3.25Å; G172-A175 WeakPolarHBondContact O-CB 3.38Å; G172-A175 PolarHBondContact O-N 3.12Å
173P95.7Very high89.8Confident0 Ų042 Ų420%020%0.199CC..G310 helixtrans-42.5-43.7178.2-31.532.4000114.9M89 Y90 Q93 L133 S134 A175 F176M89-P173 HydrophobicContact CB-CG 4.01Å; M89-P173 VanDerWaalsContact O-CG 3.29Å; M89-P173 WeakPolarHBondContact O-CG 3.4Å; Y90-P173 HydrophobicContact CD2-CG 4.45Å; Y90-P173 HydrophobicContact CG-CG 4.4Å; Q93-P173 VanDerWaalsContact CD-CB 3.46Å; Q93-P173 HydrophobicContact CG-CB 4.07Å; Q93-P173 HydrophobicContact CG-CG 4.24Å; Q93-P173 VanDerWaalsContact NE2-CB 3.26Å; Q93-P173 VanDerWaalsContact NE2-CG 3.32Å; L133-P173 HydrophobicContact CD1-CB 4.11Å; L133-P173 WeakPolarHBondContact CD1-O 3.48Å; S134-P173 WeakPolarHBondContact O-CB 3.27Å; S134-P173 WeakPolarHBondContact O-CD 3.38Å; S134-P173 WeakPolarHBondContact O-CG 3.2Å; P173-A175 PolarHBondContact O-N 3.01Å; P173-F176 PolarHBondContact O-N 2.85Å
174V94.3Very high91.3Very high2 Ų231.1 Ų31.11%0.01216%0.159CC..G310 helixtrans-62.7-21.9-177.773.60000114.2S134 L170 G172 F176 V177 L187 V194 V196 F210S134-V174 WeakPolarHBondContact O-CB 3.41Å; S134-V174 PolarHBondContact O-N 3.35Å; L170-V174 HydrophobicContact CD1-CG1 3.66Å; L170-V174 HydrophobicContact CD2-CG1 4.24Å; L170-V174 HydrophobicContact CG-CG1 3.88Å; G172-V174 PolarHBondContact O-N 3.47Å; V174-F176 PolarHBondContact O-N 3.4Å; V174-V177 HydrophobicContact CG2-CG2 4.47Å; V174-V177 WeakPolarHBondContact O-CB 3.38Å; V174-V177 WeakPolarHBondContact O-CG2 3.32Å; V174-V177 PolarHBondContact O-N 2.88Å; V174-V177 VanDerWaalsContact O-N 3.11Å; V174-L187 HydrophobicContact CG2-CD2 3.55Å; V174-V194 HydrophobicContact CB-CG2 4.36Å; V174-V194 HydrophobicContact CG1-CG2 3.83Å; V174-V194 HydrophobicContact CG2-CG2 4.43Å; V174-V196 HydrophobicContact CG2-CG2 3.82Å; V174-F210 HydrophobicContact CG2-CE2 3.69Å; V174-F210 HydrophobicContact CG2-CZ 4.07Å
175A94.6Very high92.8Very high30 Ų3024.4 Ų24.425%0.24813%0.13CC..G310 helixtrans-66.4-16.1179.200000113G172 P173 V177G172-A175 VanDerWaalsContact O-CB 3.25Å; G172-A175 WeakPolarHBondContact O-CB 3.38Å; G172-A175 PolarHBondContact O-N 3.12Å; P173-A175 PolarHBondContact O-N 3.01Å; A175-V177 VanDerWaalsContact C-N 3.33Å
176F95.1Very high93.9Very high17 Ų1723.2 Ų23.28%0.07511%0.114CC..G310 helixtrans-86.30.2175.3-70.9-84.3000113.8T14 V18 F23 C25 Y90 V102 R117 I118 P173 V174 N178T14-F176 HydrophobicContact CG2-CE2 4.03Å; T14-F176 HydrophobicContact CG2-CZ 4.07Å; V18-F176 HydrophobicContact CB-CZ 4.35Å; V18-F176 HydrophobicContact CG1-CE1 4.16Å; V18-F176 HydrophobicContact CG1-CZ 4.12Å; V18-F176 HydrophobicContact CG2-CE2 4.08Å; V18-F176 HydrophobicContact CG2-CZ 3.78Å; F23-F176 HydrophobicContact CE2-CE1 4.18Å; F23-F176 HydrophobicContact CZ-CD1 4.21Å; F23-F176 AromaticContact CZ-CE1 3.9Å; F23-F176 HydrophobicContact CZ-CE1 3.9Å; C25-F176 HydrophobicContact CB-CE1 4.2Å; C25-F176 HydrophobicContact CB-CZ 4.36Å; Y90-F176 AromaticContact CE1-CE2 3.97Å; Y90-F176 HydrophobicContact CE1-CE2 3.97Å; V102-F176 HydrophobicContact CG2-CD1 4.15Å; V102-F176 HydrophobicContact CG2-CG 4.25Å; R117-F176 WeakPolarHBondContact CA-O 3.46Å; I118-F176 HydrophobicContact CD1-CB 3.7Å; I118-F176 HydrophobicContact CG1-CB 3.89Å; P173-F176 PolarHBondContact O-N 2.85Å; V174-F176 PolarHBondContact O-N 3.4Å; F176-N178 PolarHBondContact O-N 2.93Å
177V95.2Very high94.3Very high1 Ų124.5 Ų24.51%0.00612%0.12CC..  trans-82.2110.5177.7-1800000109.5I118 L133 V174 A175 I208 F210 Y212I118-V177 HydrophobicContact CB-CG2 4.45Å; I118-V177 HydrophobicContact CG1-CG2 3.98Å; L133-V177 HydrophobicContact CD1-CG2 4Å; L133-V177 HydrophobicContact CD2-CG2 3.4Å; L133-V177 VanDerWaalsContact CD2-CG2 3.4Å; L133-V177 HydrophobicContact CG-CG2 3.93Å; V174-V177 HydrophobicContact CG2-CG2 4.47Å; V174-V177 WeakPolarHBondContact O-CB 3.38Å; V174-V177 WeakPolarHBondContact O-CG2 3.32Å; V174-V177 PolarHBondContact O-N 2.88Å; V174-V177 VanDerWaalsContact O-N 3.11Å; A175-V177 VanDerWaalsContact C-N 3.33Å; V177-I208 HydrophobicContact CG1-CG2 4.17Å; V177-I208 WeakPolarHBondContact CG1-O 3.27Å; V177-I208 HydrophobicContact CG2-CG2 4.34Å; V177-F210 HydrophobicContact CB-CD2 3.67Å; V177-F210 HydrophobicContact CB-CE2 3.46Å; V177-F210 VanDerWaalsContact CB-CE2 3.46Å; V177-F210 HydrophobicContact CB-CZ 4.2Å; V177-F210 HydrophobicContact CG1-CB 4.33Å; V177-F210 HydrophobicContact CG1-CD1 4.14Å; V177-F210 HydrophobicContact CG1-CD2 3.27Å; V177-F210 HydrophobicContact CG1-CE1 4.22Å; V177-F210 HydrophobicContact CG1-CE2 3.34Å; V177-F210 HydrophobicContact CG1-CG 3.65Å; V177-F210 HydrophobicContact CG1-CZ 3.81Å; V177-F210 HydrophobicContact CG2-CE2 3.83Å; V177-F210 HydrophobicContact CG2-CZ 4.21Å; V177-Y212 WeakPolarHBondContact O-CE1 3.39Å; V177-Y212 PolarHBondContact O-OH 3.34Å
178N95.1Very high94.2Very high18 Ų1825.6 Ų25.610%0.09613%0.125CC..EExtended strand (participates in β ladder)trans-73.5167.1-177.6-69.3-43.1000113.4D105 Y108 G116 R117 F176 E207 T209 F210 Y212D105-N178 PolarHBondContact OD2-ND2 3.09Å; Y108-N178 HydrophobicContact CE2-CB 4.1Å; G116-N178 PolarHBondContact O-ND2 3.01Å; G116-N178 PolarHBondContact O-OD1 2.85Å; R117-N178 WeakPolarHBondContact CB-ND2 3.46Å; F176-N178 PolarHBondContact O-N 2.93Å; N178-E207 WeakPolarHBondContact CB-OE1 3.33Å; N178-E207 PolarHBondContact ND2-OE1 3.49Å; N178-T209 CarbonylContact O-C 3.57Å; N178-T209 VanDerWaalsContact O-CA 3.23Å; N178-T209 WeakPolarHBondContact O-CA 3.2Å; N178-T209 WeakPolarHBondContact O-CB 3.32Å; N178-F210 PolarHBondContact O-N 2.9Å; N178-Y212 VanDerWaalsContact CA-OH 3.26Å; N178-Y212 WeakPolarHBondContact CA-OH 3.3Å
179H94.3Very high93.7Very high1 Ų132.8 Ų32.81%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-74.2139.5169.9177.953.6000112.5C181 F210 F211 Y212 F217 N221 C224 C226H179-C181 PolarHBondContact NE2-SG 3.15Å; H179-C181 VanDerWaalsContact NE2-SG 3.38Å; H179-F210 CarbonylContact C-O 3.48Å; H179-F210 VanDerWaalsContact CA-O 3.22Å; H179-F210 WeakPolarHBondContact CA-O 3.32Å; H179-F210 PolarHBondContact ND1-O 3.36Å; H179-F210 VanDerWaalsContact ND1-O 3.08Å; H179-F211 AromaticContact CE1-CD2 3.57Å; H179-F211 AromaticContact CE1-CE2 3.92Å; H179-Y212 HydrophobicContact CB-CD1 4.06Å; H179-Y212 HydrophobicContact CB-CD2 3.65Å; H179-Y212 HydrophobicContact CB-CE1 4.17Å; H179-Y212 HydrophobicContact CB-CE2 3.77Å; H179-Y212 HydrophobicContact CB-CG 3.79Å; H179-Y212 PolarHBondContact N-OH 3.17Å; H179-Y212 PolarHBondContact ND1-N 3.23Å; H179-F217 HydrophobicContact CB-CE2 3.43Å; H179-F217 VanDerWaalsContact CB-CE2 3.43Å; H179-F217 HydrophobicContact CB-CZ 3.88Å; H179-F217 AromaticContact CD2-CD2 3.55Å; H179-F217 AromaticContact CD2-CE2 3.26Å; H179-F217 WeakPolarHBondContact CD2-CE2 3.45Å; H179-F217 AromaticContact CG-CE2 3.49Å; H179-F217 VanDerWaalsContact CG-CE2 3.49Å; H179-N221 PolarHBondContact NE2-ND2 3Å; H179-C224 PolarHBondContact CD2-SG 3.29Å; H179-C226 VanDerWaalsContact O-CB 3.22Å; H179-C226 WeakPolarHBondContact O-CB 3.39Å
180D96.7Very high93Very high8 Ų836.1 Ų36.14%0.04317%0.169CC..  trans-134.7142.3154.7-162.3-68.4000111R182 P183 T209 F210 C226 A227 T228D180-R182 PolarHBondContact O-N 2.69Å; D180-R182 WeakPolarHBondContact OD1-CA 3.48Å; D180-R182 PolarHBondContact OD1-N 3.1Å; D180-P183 WeakPolarHBondContact O-CD 3.49Å; D180-T209 HydrophobicContact CB-CG2 3.93Å; D180-T209 WeakPolarHBondContact CB-OG1 3.48Å; D180-F210 PolarHBondContact N-O 3.07Å; D180-C226 HydrophobicContact CB-CB 4.06Å; D180-C226 WeakPolarHBondContact OD2-CB 3.29Å; D180-A227 PolarHBondContact OD2-N 3.26Å; D180-T228 WeakPolarHBondContact OD1-CB 3.47Å; D180-T228 PolarHBondContact OD1-OG1 3.4Å; D180-T228 PolarHBondContact OD2-N 2.85Å
181C95.9Very high92.3Very high46 Ų4643.1 Ų43.131%0.31121%0.207SC..SBendtrans-65.1-22.5176.1-780000112.5H179 C226 T228H179-C181 PolarHBondContact NE2-SG 3.15Å; H179-C181 VanDerWaalsContact NE2-SG 3.38Å; C181-C226 PolarHBondContact N-SG 2.94Å; C181-C226 VanDerWaalsContact N-SG 3.38Å; C181-T228 HydrophobicContact CB-CG2 4.08Å
182R96.5Very high91.4Very high160 Ų16046 Ų4660%0.60423%0.227SC*.SBendtrans-120.577.1167.9-169.3-176.9-178.9-172.2-1.1108.9D180 T228D180-R182 PolarHBondContact O-N 2.69Å; D180-R182 WeakPolarHBondContact OD1-CA 3.48Å; D180-R182 PolarHBondContact OD1-N 3.1Å; R182-T228 HydrophobicContact CB-CG2 4Å; R182-T228 WeakPolarHBondContact CB-OG1 3.42Å
183P97.8Very high90.6Very high13 Ų1349.5 Ų49.58%0.08425%0.251CS..  trans-67.1154.9-17032.5-42.5000113.7D180 I199 R200 T209 F210 F211D180-P183 WeakPolarHBondContact O-CD 3.49Å; P183-I199 HydrophobicContact CG-CD1 4.1Å; P183-R200 WeakPolarHBondContact O-CD 3.39Å; P183-R200 PolarHBondContact O-NH1 2.88Å; P183-T209 WeakPolarHBondContact CA-OG1 3.35Å; P183-T209 WeakPolarHBondContact CB-O 3.29Å; P183-F210 VanDerWaalsContact CB-C 3.44Å; P183-F211 HydrophobicContact CB-CB 4.35Å; P183-F211 HydrophobicContact CG-CB 3.85Å
184T98.3Very high90.1Very high14 Ų1449.7 Ų49.79%0.08625%0.253CS..SBendtrans-84.4-27.4172.652.10000113I199 R200 I202 T206 E207 I208 T209T184-I199 VanDerWaalsContact O-CG1 3.27Å; T184-I199 WeakPolarHBondContact O-CG1 3.21Å; T184-I199 PolarHBondContact O-N 3.32Å; T184-R200 PolarHBondContact O-N 3.34Å; T184-I202 HydrophobicContact CG2-CD1 4.49Å; T184-I202 HydrophobicContact CG2-CG1 4.34Å; T184-T206 HydrophobicContact CG2-CG2 4.31Å; T184-E207 PolarHBondContact OG1-O 2.99Å; T184-I208 WeakPolarHBondContact OG1-CA 3.35Å; T184-T209 PolarHBondContact N-O 2.86Å; T184-T209 PolarHBondContact N-OG1 3.15Å; T184-T209 VanDerWaalsContact N-OG1 3.09Å; T184-T209 PolarHBondContact OG1-N 2.93Å; T184-T209 PolarHBondContact OG1-OG1 3.36Å
185C97.7Very high89.6Confident1 Ų155.6 Ų55.61%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-130.2171-174.9-65.60000112.7V196 R197 I208 T209 F210C185-V196 HydrophobicContact CB-CG1 3.68Å; C185-R197 CarbonylContact C-O 3.51Å; C185-R197 VanDerWaalsContact CA-O 3.22Å; C185-R197 WeakPolarHBondContact CA-O 3.35Å; C185-R197 WeakPolarHBondContact CB-O 3.19Å; C185-I208 HydrophobicContact CB-CG2 4.38Å; C185-T209 PolarHBondContact N-O 3.2Å; C185-F210 HydrophobicContact CB-CD1 3.92Å; C185-F210 HydrophobicContact CB-CE1 3.5Å; C185-F210 WeakPolarHBondContact O-CD1 3.31Å
186R94.3Very high89.5Confident120 Ų12054.2 Ų54.245%0.45326%0.263SS..EExtended strand (participates in β ladder)trans-129.9158.8164.668.1-178.1173106.8-7.4110.5D188 R197 I199R186-D188 IonicContact CZ-OD1 2.61Å; R186-D188 VanDerWaalsContact CZ-OD1 3.27Å; R186-D188 IonicContact NE-OD1 3.93Å; R186-D188 IonicContact NH1-OD1 3.79Å; R186-D188 PolarHBondContact NH1-OD1 3.16Å; R186-D188 IonicContact NH1-OD2 3.66Å; R186-D188 IonicContact NH2-OD1 3.69Å; R186-R197 HydrophobicContact CG-CB 4.29Å; R186-R197 PolarHBondContact N-O 3.39Å; R186-R197 PolarHBondContact O-N 2.93Å; R186-I199 HydrophobicContact CB-CG2 4.26Å; R186-I199 HydrophobicContact CG-CG2 3.75Å
187L88.6Confident89.6Confident40 Ų4056.7 Ų56.721%0.20927%0.272CS..EExtended strand (participates in β ladder)trans-90126.9171.8-71.8169.3000110.1L170 V174 W189 V194 V196 F210L170-L187 HydrophobicContact CD2-CD1 3.77Å; V174-L187 HydrophobicContact CG2-CD2 3.55Å; L187-W189 HydrophobicContact CB-CE3 4.12Å; L187-W189 HydrophobicContact CB-CZ3 4.22Å; L187-V194 HydrophobicContact CD2-CB 4.46Å; L187-V196 HydrophobicContact CD2-CG2 4.05Å; L187-F210 HydrophobicContact CD1-CD2 3.93Å; L187-F210 HydrophobicContact CD1-CE2 3.87Å; L187-F210 HydrophobicContact CD1-CZ 4.4Å; L187-F210 HydrophobicContact CD2-CD2 4.32Å; L187-F210 HydrophobicContact CD2-CE1 4.09Å; L187-F210 HydrophobicContact CD2-CE2 3.47Å; L187-F210 VanDerWaalsContact CD2-CE2 3.47Å; L187-F210 HydrophobicContact CD2-CZ 3.36Å; L187-F210 HydrophobicContact CG-CD1 4.25Å; L187-F210 HydrophobicContact CG-CD2 3.92Å; L187-F210 HydrophobicContact CG-CE1 3.9Å; L187-F210 HydrophobicContact CG-CE2 3.56Å; L187-F210 HydrophobicContact CG-CG 4.29Å; L187-F210 HydrophobicContact CG-CZ 3.58Å
188D84.5Confident89.7Confident27 Ų2756.7 Ų56.714%0.14427%0.272CS..EExtended strand (participates in β ladder)trans-104136.2163.4-64.3-13.4000106.8R186 V194 R195 R197R186-D188 IonicContact CZ-OD1 2.61Å; R186-D188 VanDerWaalsContact CZ-OD1 3.27Å; R186-D188 IonicContact NE-OD1 3.93Å; R186-D188 IonicContact NH1-OD1 3.79Å; R186-D188 PolarHBondContact NH1-OD1 3.16Å; R186-D188 IonicContact NH1-OD2 3.66Å; R186-D188 IonicContact NH2-OD1 3.69Å; D188-V194 CarbonylContact O-C 3.54Å; D188-V194 WeakPolarHBondContact O-CA 3.47Å; D188-R195 HydrophobicContact CB-CB 4.35Å; D188-R195 PolarHBondContact N-O 3.14Å; D188-R195 PolarHBondContact O-N 3.32Å; D188-R195 VanDerWaalsContact O-O 3.12Å; D188-R197 IonicContact OD2-CZ 2.93Å; D188-R197 IonicContact OD2-NE 2.82Å; D188-R197 PolarHBondContact OD2-NE 3.43Å; D188-R197 IonicContact OD2-NH2 3.33Å
189W78.8Confident89.8Confident175 Ų17558.6 Ų58.666%0.66328%0.282SS*.EExtended strand (participates in β ladder)trans-130.9147.2175.557.481.4000111.5L187 S193 V194L187-W189 HydrophobicContact CB-CE3 4.12Å; L187-W189 HydrophobicContact CB-CZ3 4.22Å; W189-S193 WeakPolarHBondContact CA-O 3.33Å; W189-V194 HydrophobicContact CB-CG1 4.13Å
190T77.1Confident90Very high69 Ų6962.6 Ų62.642%0.42330%0.297SS..EExtended strand (participates in β ladder)trans-133.3119.6173.5-49.40000106.6S192 S193 R195T190-S192 PolarHBondContact O-N 3.35Å; T190-S193 PolarHBondContact N-O 3.14Å; T190-S193 PolarHBondContact O-N 3.39Å; T190-R195 PolarHBondContact OG1-NH2 2.87Å
191D77.2Confident90.1Very high162 Ų16266.9 Ų66.987%0.86633%0.325SS*.THydrogen-bonded Turntrans51.8-93.3-172.5-51.6-41.1000113.1
192S77.1Confident90.2Very high62 Ų6264.9 Ų64.943%0.43431%0.311SS..THydrogen-bonded Turntrans-119.8-6-179.754.50000114K136 M137 T190K136-S192 WeakPolarHBondContact CA-O 3.33Å; M137-S192 PolarHBondContact N-O 3.08Å; T190-S192 PolarHBondContact O-N 3.35Å
193S78.3Confident90.3Very high73 Ų7364.3 Ų64.351%0.5132%0.316SS..EExtended strand (participates in β ladder)trans-97.2134.2-178.7-64.30000110.7W189 T190W189-S193 WeakPolarHBondContact CA-O 3.33Å; T190-S193 PolarHBondContact N-O 3.14Å; T190-S193 PolarHBondContact O-N 3.39Å
194V84.7Confident90.3Very high5 Ų568 Ų683%0.0334%0.338CS..EExtended strand (participates in β ladder)trans-109.7141.4179-54.70000110.7G135 L170 V174 L187 D188 W189G135-V194 VanDerWaalsContact N-CG2 3.35Å; G135-V194 WeakPolarHBondContact O-CG2 3.04Å; G135-V194 PolarHBondContact O-N 3.02Å; L170-V194 HydrophobicContact CD1-CB 4.47Å; L170-V194 HydrophobicContact CD1-CG1 3.82Å; L170-V194 HydrophobicContact CD1-CG2 4.04Å; V174-V194 HydrophobicContact CB-CG2 4.36Å; V174-V194 HydrophobicContact CG1-CG2 3.83Å; V174-V194 HydrophobicContact CG2-CG2 4.43Å; L187-V194 HydrophobicContact CD2-CB 4.46Å; D188-V194 CarbonylContact O-C 3.54Å; D188-V194 WeakPolarHBondContact O-CA 3.47Å; W189-V194 HydrophobicContact CB-CG1 4.13Å
195R83.9Confident90.3Very high126 Ų12670 Ų7048%0.47536%0.361SS..EExtended strand (participates in β ladder)trans-125.6145.9176.1-70.6-176.3-76.9-168.2-6.7108.9V129 D188 T190V129-R195 HydrophobicContact CG1-CB 4.34Å; D188-R195 HydrophobicContact CB-CB 4.35Å; D188-R195 PolarHBondContact N-O 3.14Å; D188-R195 PolarHBondContact O-N 3.32Å; D188-R195 VanDerWaalsContact O-O 3.12Å; T190-R195 PolarHBondContact OG1-NH2 2.87Å
196V93.4Very high90.3Very high0 Ų072.4 Ų72.40%038%0.376CS..EExtended strand (participates in β ladder)trans-107.8121.8-178.6178.70000108.8V129 I130 L133 V174 C185 L187 F210V129-V196 CarbonylContact C-O 3.55Å; V129-V196 VanDerWaalsContact CA-O 3.29Å; V129-V196 WeakPolarHBondContact CA-O 3.29Å; I130-V196 HydrophobicContact CB-CB 4.25Å; I130-V196 HydrophobicContact CB-CG1 4.34Å; I130-V196 HydrophobicContact CD1-CG1 4.26Å; I130-V196 HydrophobicContact CG1-CG1 4.38Å; I130-V196 PolarHBondContact N-O 2.58Å; L133-V196 HydrophobicContact CB-CB 4.46Å; L133-V196 HydrophobicContact CB-CG2 4.09Å; L133-V196 HydrophobicContact CD2-CB 4.47Å; L133-V196 HydrophobicContact CD2-CG1 4.21Å; L133-V196 HydrophobicContact CD2-CG2 4.15Å; L133-V196 HydrophobicContact CG-CG2 4.03Å; L133-V196 WeakPolarHBondContact O-CG2 3.42Å; V174-V196 HydrophobicContact CG2-CG2 3.82Å; C185-V196 HydrophobicContact CB-CG1 3.68Å; L187-V196 HydrophobicContact CD2-CG2 4.05Å; V196-F210 HydrophobicContact CB-CZ 4.27Å; V196-F210 HydrophobicContact CG1-CE1 3.81Å; V196-F210 HydrophobicContact CG1-CZ 3.76Å; V196-F210 HydrophobicContact CG2-CE1 4.44Å; V196-F210 HydrophobicContact CG2-CZ 3.66Å
197R95.6Very high90.5Very high69 Ų6968 Ų6826%0.2636%0.36SS..EExtended strand (participates in β ladder)trans-114.1131.3178-171.3175.4-60.3-86.51.5110.8G127 E128 C185 R186 D188G127-R197 PolarHBondContact O-NH1 3.33Å; E128-R197 WeakPolarHBondContact O-CA 3.45Å; C185-R197 CarbonylContact C-O 3.51Å; C185-R197 VanDerWaalsContact CA-O 3.22Å; C185-R197 WeakPolarHBondContact CA-O 3.35Å; C185-R197 WeakPolarHBondContact CB-O 3.19Å; R186-R197 HydrophobicContact CG-CB 4.29Å; R186-R197 PolarHBondContact N-O 3.39Å; R186-R197 PolarHBondContact O-N 2.93Å; D188-R197 IonicContact OD2-CZ 2.93Å; D188-R197 IonicContact OD2-NE 2.82Å; D188-R197 PolarHBondContact OD2-NE 3.43Å; D188-R197 IonicContact OD2-NH2 3.33Å
198T97.9Very high90.9Very high1 Ų166.1 Ų66.11%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-70.6136.1173.9600000110.3W124 R125 G127 E128 I130 I202W124-T198 HydrophobicContact CB-CG2 3.91Å; W124-T198 HydrophobicContact CG-CG2 4.44Å; R125-T198 WeakPolarHBondContact O-CB 3.48Å; R125-T198 PolarHBondContact O-OG1 3.45Å; G127-T198 WeakPolarHBondContact CA-O 3.48Å; G127-T198 PolarHBondContact N-O 2.88Å; G127-T198 PolarHBondContact N-OG1 2.83Å; E128-T198 PolarHBondContact N-OG1 3.45Å; E128-T198 PolarHBondContact O-N 2.95Å; E128-T198 PolarHBondContact O-OG1 3.3Å; I130-T198 HydrophobicContact CD1-CG2 4.02Å; I130-T198 HydrophobicContact CG1-CG2 4.08Å; T198-I202 HydrophobicContact CG2-CD1 3.81Å
199I98Very high91.6Very high59 Ų5965 Ų6530%0.30334%0.344SS..SBendtrans-119.3-2.517657.3172.2000112P183 T184 R186P183-I199 HydrophobicContact CG-CD1 4.1Å; T184-I199 VanDerWaalsContact O-CG1 3.27Å; T184-I199 WeakPolarHBondContact O-CG1 3.21Å; T184-I199 PolarHBondContact O-N 3.32Å; R186-I199 HydrophobicContact CB-CG2 4.26Å; R186-I199 HydrophobicContact CG-CG2 3.75Å
200R98Very high92.3Very high84 Ų8457 Ų5732%0.31731%0.314SS..SBendtrans-140153.5175.8-67.5-177.5174744.5108.7P183 T184P183-R200 WeakPolarHBondContact O-CD 3.39Å; P183-R200 PolarHBondContact O-NH1 2.88Å; T184-R200 PolarHBondContact O-N 3.34Å
201P97.9Very high93.1Very high99 Ų9958.2 Ų58.264%0.64331%0.314SS*.  trans-60.3140.9166.627.8-33.6000109.3W124W124-P201 WeakPolarHBondContact O-CA 3.48Å
202I98.5Very high93.6Very high3 Ų354.1 Ų54.12%0.01529%0.287CS..BIsolated β-bridgetrans-124.3119.8-179.7-49.7-178.4000107.6A120 P123 W124 T184 T198 T206 I208A120-I202 HydrophobicContact CB-CG2 3.63Å; P123-I202 CarbonylContact C-O 3.52Å; P123-I202 VanDerWaalsContact CA-O 3.25Å; P123-I202 WeakPolarHBondContact CA-O 3.45Å; W124-I202 HydrophobicContact CB-CB 4.1Å; W124-I202 HydrophobicContact CB-CD1 4.37Å; W124-I202 HydrophobicContact CB-CG1 4.34Å; W124-I202 PolarHBondContact N-O 2.77Å; W124-I202 PolarHBondContact O-N 2.87Å; T184-I202 HydrophobicContact CG2-CD1 4.49Å; T184-I202 HydrophobicContact CG2-CG1 4.34Å; T198-I202 HydrophobicContact CG2-CD1 3.81Å; I202-T206 HydrophobicContact CG2-CG2 4Å; I202-I208 HydrophobicContact CD1-CG1 4.09Å
203E98.1Very high94.1Very high149 Ų14952.2 Ų52.270%0.69628%0.277SS*.  trans-84.5158.5174.5-64.6-178.4178.200111G205 T206E203-G205 PolarHBondContact O-N 3.18Å; E203-T206 WeakPolarHBondContact O-CB 3.32Å; E203-T206 PolarHBondContact O-N 2.96Å; E203-T206 PolarHBondContact O-OG1 2.94Å
204V98.3Very high94.5Very high91 Ų9156.7 Ų56.755%0.55229%0.287SS*.THydrogen-bonded Turntrans-57.1135.6174.41790000109.9T206V204-T206 VanDerWaalsContact C-N 3.26Å; V204-T206 PolarHBondContact O-N 3.09Å
205G97.7Very high94.6Very high55 Ų5558.7 Ų58.757%0.56730%0.301SS*.THydrogen-bonded Turntrans86.1-10.2-177.200000114.2V119 A120 E203V119-G205 WeakPolarHBondContact CG1-O 3.36Å; A120-G205 PolarHBondContact O-N 3.46Å; E203-G205 PolarHBondContact O-N 3.18Å
206T97.8Very high94.5Very high52 Ų5254.9 Ų54.932%0.31929%0.287SS..PPolyproline II helixtrans-74141.8176.2-55.70000111V119 A120 T184 I202 E203 V204V119-T206 WeakPolarHBondContact CA-O 3.25Å; A120-T206 PolarHBondContact N-O 3Å; T184-T206 HydrophobicContact CG2-CG2 4.31Å; I202-T206 HydrophobicContact CG2-CG2 4Å; E203-T206 WeakPolarHBondContact O-CB 3.32Å; E203-T206 PolarHBondContact O-N 2.96Å; E203-T206 PolarHBondContact O-OG1 2.94Å; V204-T206 VanDerWaalsContact C-N 3.26Å; V204-T206 PolarHBondContact O-N 3.09Å
207E98.2Very high94.2Very high27 Ų2755.3 Ų55.313%0.12629%0.289CS..EExtended strand (participates in β ladder)trans-72.7132.7173.5-168.9-177.1-17000111.7R107 R117 I118 N178 T184 T209R107-E207 IonicContact CZ-OE1 3.15Å; R107-E207 IonicContact CZ-OE2 3.31Å; R107-E207 IonicContact NH1-OE2 3.34Å; R107-E207 PolarHBondContact NH1-OE2 2.8Å; R107-E207 IonicContact NH2-OE1 2.85Å; R107-E207 PolarHBondContact NH2-OE1 3.3Å; R107-E207 IonicContact NH2-OE2 2.76Å; R107-E207 PolarHBondContact NH2-OE2 2.93Å; R117-E207 HydrophobicContact CB-CG 4.13Å; R117-E207 VanDerWaalsContact CB-OE1 3.27Å; R117-E207 WeakPolarHBondContact CB-OE1 3.45Å; I118-E207 CarbonylContact O-C 3.28Å; I118-E207 WeakPolarHBondContact O-CA 3.41Å; I118-E207 WeakPolarHBondContact O-CG 3.26Å; N178-E207 WeakPolarHBondContact CB-OE1 3.33Å; N178-E207 PolarHBondContact ND2-OE1 3.49Å; T184-E207 PolarHBondContact OG1-O 2.99Å; E207-T209 HydrophobicContact CB-CG2 4.13Å; E207-T209 HydrophobicContact CG-CG2 3.66Å
208I98.2Very high93.8Very high0 Ų053 Ų530%029%0.286CS..EExtended strand (participates in β ladder)trans-81.6126.7168.9-69.5162000108.3I100 I118 A120 I130 L133 V177 T184 C185 I202I100-I208 HydrophobicContact CG2-CD1 3.48Å; I100-I208 VanDerWaalsContact CG2-CD1 3.48Å; I118-I208 HydrophobicContact CB-CB 4.24Å; I118-I208 HydrophobicContact CG2-CB 4.07Å; I118-I208 HydrophobicContact CG2-CD1 3.81Å; I118-I208 HydrophobicContact CG2-CG1 4.45Å; I118-I208 PolarHBondContact O-N 2.83Å; A120-I208 HydrophobicContact CB-CD1 4.4Å; I130-I208 HydrophobicContact CD1-CD1 3.57Å; I130-I208 HydrophobicContact CD1-CG1 4.2Å; I130-I208 HydrophobicContact CD1-CG2 4.39Å; L133-I208 HydrophobicContact CD2-CG2 3.85Å; V177-I208 HydrophobicContact CG1-CG2 4.17Å; V177-I208 WeakPolarHBondContact CG1-O 3.27Å; V177-I208 HydrophobicContact CG2-CG2 4.34Å; T184-I208 WeakPolarHBondContact OG1-CA 3.35Å; C185-I208 HydrophobicContact CB-CG2 4.38Å; I202-I208 HydrophobicContact CD1-CG1 4.09Å
209T98Very high93.3Very high4 Ų457.4 Ų57.43%0.02532%0.317CS..EExtended strand (participates in β ladder)trans-142.6155.3-169.957.90000112.7N178 D180 P183 T184 C185 E207N178-T209 CarbonylContact O-C 3.57Å; N178-T209 VanDerWaalsContact O-CA 3.23Å; N178-T209 WeakPolarHBondContact O-CA 3.2Å; N178-T209 WeakPolarHBondContact O-CB 3.32Å; D180-T209 HydrophobicContact CB-CG2 3.93Å; D180-T209 WeakPolarHBondContact CB-OG1 3.48Å; P183-T209 WeakPolarHBondContact CA-OG1 3.35Å; P183-T209 WeakPolarHBondContact CB-O 3.29Å; T184-T209 PolarHBondContact N-O 2.86Å; T184-T209 PolarHBondContact N-OG1 3.15Å; T184-T209 VanDerWaalsContact N-OG1 3.09Å; T184-T209 PolarHBondContact OG1-N 2.93Å; T184-T209 PolarHBondContact OG1-OG1 3.36Å; C185-T209 PolarHBondContact N-O 3.2Å; E207-T209 HydrophobicContact CB-CG2 4.13Å; E207-T209 HydrophobicContact CG-CG2 3.66Å
210F95.4Very high92.9Very high8 Ų863.1 Ų63.14%0.03534%0.34CS..EExtended strand (participates in β ladder)trans-119.1163.5175.4-66.8-42000113.2V174 V177 N178 H179 D180 P183 C185 L187 V196 Y212V174-F210 HydrophobicContact CG2-CE2 3.69Å; V174-F210 HydrophobicContact CG2-CZ 4.07Å; V177-F210 HydrophobicContact CB-CD2 3.67Å; V177-F210 HydrophobicContact CB-CE2 3.46Å; V177-F210 VanDerWaalsContact CB-CE2 3.46Å; V177-F210 HydrophobicContact CB-CZ 4.2Å; V177-F210 HydrophobicContact CG1-CB 4.33Å; V177-F210 HydrophobicContact CG1-CD1 4.14Å; V177-F210 HydrophobicContact CG1-CD2 3.27Å; V177-F210 HydrophobicContact CG1-CE1 4.22Å; V177-F210 HydrophobicContact CG1-CE2 3.34Å; V177-F210 HydrophobicContact CG1-CG 3.65Å; V177-F210 HydrophobicContact CG1-CZ 3.81Å; V177-F210 HydrophobicContact CG2-CE2 3.83Å; V177-F210 HydrophobicContact CG2-CZ 4.21Å; N178-F210 PolarHBondContact O-N 2.9Å; H179-F210 CarbonylContact C-O 3.48Å; H179-F210 VanDerWaalsContact CA-O 3.22Å; H179-F210 WeakPolarHBondContact CA-O 3.32Å; H179-F210 PolarHBondContact ND1-O 3.36Å; H179-F210 VanDerWaalsContact ND1-O 3.08Å; D180-F210 PolarHBondContact N-O 3.07Å; P183-F210 VanDerWaalsContact CB-C 3.44Å; C185-F210 HydrophobicContact CB-CD1 3.92Å; C185-F210 HydrophobicContact CB-CE1 3.5Å; C185-F210 WeakPolarHBondContact O-CD1 3.31Å; L187-F210 HydrophobicContact CD1-CD2 3.93Å; L187-F210 HydrophobicContact CD1-CE2 3.87Å; L187-F210 HydrophobicContact CD1-CZ 4.4Å; L187-F210 HydrophobicContact CD2-CD2 4.32Å; L187-F210 HydrophobicContact CD2-CE1 4.09Å; L187-F210 HydrophobicContact CD2-CE2 3.47Å; L187-F210 VanDerWaalsContact CD2-CE2 3.47Å; L187-F210 HydrophobicContact CD2-CZ 3.36Å; L187-F210 HydrophobicContact CG-CD1 4.25Å; L187-F210 HydrophobicContact CG-CD2 3.92Å; L187-F210 HydrophobicContact CG-CE1 3.9Å; L187-F210 HydrophobicContact CG-CE2 3.56Å; L187-F210 HydrophobicContact CG-CG 4.29Å; L187-F210 HydrophobicContact CG-CZ 3.58Å; V196-F210 HydrophobicContact CB-CZ 4.27Å; V196-F210 HydrophobicContact CG1-CE1 3.81Å; V196-F210 HydrophobicContact CG1-CZ 3.76Å; V196-F210 HydrophobicContact CG2-CE1 4.44Å; V196-F210 HydrophobicContact CG2-CZ 3.66Å; F210-Y212 HydrophobicContact CB-CD1 4Å; F210-Y212 HydrophobicContact CB-CE1 3.99Å
211F92.3Very high92.6Very high93 Ų9359.5 Ų59.541%0.40833%0.327SS..  trans-94.4107.4164.5-173.8-101.8000109.6H179 P183 G213 K214H179-F211 AromaticContact CE1-CD2 3.57Å; H179-F211 AromaticContact CE1-CE2 3.92Å; P183-F211 HydrophobicContact CB-CB 4.35Å; P183-F211 HydrophobicContact CG-CB 3.85Å; F211-G213 VanDerWaalsContact CE1-C 3.41Å; F211-G213 VanDerWaalsContact CE1-CA 3.46Å; F211-G213 WeakPolarHBondContact CZ-O 3.21Å; F211-K214 HydrophobicContact CE1-CG 4.15Å; F211-K214 HydrophobicContact CZ-CB 4.42Å; F211-K214 HydrophobicContact CZ-CG 3.81Å
212Y89.2Confident92.3Very high77 Ų7755.9 Ų55.930%0.30231%0.307SS..  trans-75-28.1-178.8-67.4-0.2000112.6V177 N178 H179 F210 Y216 F217V177-Y212 WeakPolarHBondContact O-CE1 3.39Å; V177-Y212 PolarHBondContact O-OH 3.34Å; N178-Y212 VanDerWaalsContact CA-OH 3.26Å; N178-Y212 WeakPolarHBondContact CA-OH 3.3Å; H179-Y212 HydrophobicContact CB-CD1 4.06Å; H179-Y212 HydrophobicContact CB-CD2 3.65Å; H179-Y212 HydrophobicContact CB-CE1 4.17Å; H179-Y212 HydrophobicContact CB-CE2 3.77Å; H179-Y212 HydrophobicContact CB-CG 3.79Å; H179-Y212 PolarHBondContact N-OH 3.17Å; H179-Y212 PolarHBondContact ND1-N 3.23Å; F210-Y212 HydrophobicContact CB-CD1 4Å; F210-Y212 HydrophobicContact CB-CE1 3.99Å; Y212-Y216 AromaticContact CD2-CD1 3.76Å; Y212-Y216 HydrophobicContact CD2-CD1 3.76Å; Y212-Y216 HydrophobicContact CD2-CD2 4.12Å; Y212-Y216 AromaticContact CD2-CE1 3.65Å; Y212-Y216 HydrophobicContact CD2-CE1 3.65Å; Y212-Y216 HydrophobicContact CD2-CE2 4.02Å; Y212-Y216 AromaticContact CD2-CG 3.99Å; Y212-Y216 HydrophobicContact CD2-CG 3.99Å; Y212-Y216 AromaticContact CD2-CZ 3.79Å; Y212-Y216 HydrophobicContact CE2-CE1 4.17Å; Y212-Y216 HydrophobicContact CG-CD2 4.42Å; Y212-Y216 HydrophobicContact CG-CG 4.44Å; Y212-F217 HydrophobicContact CD2-CE2 4.07Å; Y212-F217 HydrophobicContact CD2-CZ 4.14Å; Y212-F217 HydrophobicContact CE2-CZ 4.28Å
213G86.9Confident91.9Very high21 Ų2159 Ų5922%0.21632%0.322CS..  trans152.2166.9-176.300000112F211 S215 N221F211-G213 VanDerWaalsContact CE1-C 3.41Å; F211-G213 VanDerWaalsContact CE1-CA 3.46Å; F211-G213 WeakPolarHBondContact CZ-O 3.21Å; G213-S215 VanDerWaalsContact C-N 3.31Å; G213-S215 PolarHBondContact O-N 2.85Å; G213-N221 PolarHBondContact O-ND2 2.96Å; G213-N221 PolarHBondContact O-OD1 3.25Å
214K86.6Confident91.7Very high168 Ų16851.9 Ų51.973%0.7329%0.289SS*.THydrogen-bonded Turntrans-73.3-20.9-176.1-68.5-178.8179.3-1790114.1F211 K220 N221F211-K214 HydrophobicContact CE1-CG 4.15Å; F211-K214 HydrophobicContact CZ-CB 4.42Å; F211-K214 HydrophobicContact CZ-CG 3.81Å; K214-K220 CarbonylContact O-C 3.5Å; K214-K220 VanDerWaalsContact O-C 3.28Å; K214-K220 WeakPolarHBondContact O-CA 3.2Å; K214-N221 PolarHBondContact O-N 2.92Å; K214-N221 VanDerWaalsContact O-N 3.13Å; K214-N221 PolarHBondContact O-OD1 3.25Å
215S86.1Confident91.5Very high47 Ų4750.4 Ų50.433%0.32928%0.275SS..THydrogen-bonded Turntrans-13830.6-175.8-57.60000112.5G213 G218 K220G213-S215 VanDerWaalsContact C-N 3.31Å; G213-S215 PolarHBondContact O-N 2.85Å; S215-G218 CarbonylContact C-O 2.95Å; S215-G218 VanDerWaalsContact C-O 3.31Å; S215-G218 WeakPolarHBondContact CA-O 3.42Å; S215-G218 WeakPolarHBondContact CB-O 3.43Å; S215-K220 PolarHBondContact OG-N 3.49Å
216Y83.1Confident91.4Very high45 Ų4547.8 Ų47.818%0.17625%0.248CC..THydrogen-bonded Turntrans-68.2-40.6179.6-171.3-80.9000110.6F156 Y212 G218 N221F156-Y216 PolarHBondContact O-OH 3.32Å; Y212-Y216 AromaticContact CD2-CD1 3.76Å; Y212-Y216 HydrophobicContact CD2-CD1 3.76Å; Y212-Y216 HydrophobicContact CD2-CD2 4.12Å; Y212-Y216 AromaticContact CD2-CE1 3.65Å; Y212-Y216 HydrophobicContact CD2-CE1 3.65Å; Y212-Y216 HydrophobicContact CD2-CE2 4.02Å; Y212-Y216 AromaticContact CD2-CG 3.99Å; Y212-Y216 HydrophobicContact CD2-CG 3.99Å; Y212-Y216 AromaticContact CD2-CZ 3.79Å; Y212-Y216 HydrophobicContact CE2-CE1 4.17Å; Y212-Y216 HydrophobicContact CG-CD2 4.42Å; Y212-Y216 HydrophobicContact CG-CG 4.44Å; Y216-G218 PolarHBondContact O-N 3.21Å; Y216-N221 PolarHBondContact N-OD1 3.35Å
217F87.2Confident91.3Very high10 Ų1047.5 Ų47.54%0.04425%0.25CS..THydrogen-bonded Turntrans-100.359.4175.9-58.8-84.3000110.6H179 Y212 N221 G222 E223 C224 L267H179-F217 HydrophobicContact CB-CE2 3.43Å; H179-F217 VanDerWaalsContact CB-CE2 3.43Å; H179-F217 HydrophobicContact CB-CZ 3.88Å; H179-F217 AromaticContact CD2-CD2 3.55Å; H179-F217 AromaticContact CD2-CE2 3.26Å; H179-F217 WeakPolarHBondContact CD2-CE2 3.45Å; H179-F217 AromaticContact CG-CE2 3.49Å; H179-F217 VanDerWaalsContact CG-CE2 3.49Å; Y212-F217 HydrophobicContact CD2-CE2 4.07Å; Y212-F217 HydrophobicContact CD2-CZ 4.14Å; Y212-F217 HydrophobicContact CE2-CZ 4.28Å; F217-N221 PolarHBondContact N-OD1 2.96Å; F217-N221 VanDerWaalsContact N-OD1 3.11Å; F217-N221 CarbonylContact O-C 3.56Å; F217-N221 VanDerWaalsContact O-CA 3.32Å; F217-N221 WeakPolarHBondContact O-CA 3.45Å; F217-G222 PolarHBondContact O-N 3.08Å; F217-G222 VanDerWaalsContact O-N 3.14Å; F217-E223 HydrophobicContact CB-CB 4.4Å; F217-E223 PolarHBondContact O-N 3.32Å; F217-C224 HydrophobicContact CB-CB 3.99Å; F217-C224 HydrophobicContact CD2-CB 4.2Å; F217-C224 HydrophobicContact CG-CB 4.21Å; F217-L267 HydrophobicContact CD1-CB 4.04Å; F217-L267 HydrophobicContact CD1-CD2 4.48Å; F217-L267 HydrophobicContact CE1-CB 4.47Å
218G86.5Confident91.2Very high19 Ų1947.3 Ų47.320%0.19625%0.251CS..SBendtrans74.7-177.8-17500000113.6S215 Y216 K220 N221S215-G218 CarbonylContact C-O 2.95Å; S215-G218 VanDerWaalsContact C-O 3.31Å; S215-G218 WeakPolarHBondContact CA-O 3.42Å; S215-G218 WeakPolarHBondContact CB-O 3.43Å; Y216-G218 PolarHBondContact O-N 3.21Å; G218-K220 PolarHBondContact O-N 3.31Å; G218-N221 PolarHBondContact O-N 3.45Å
219S87.3Confident91.1Very high95 Ų9547.6 Ų47.666%0.66425%0.253SS*.G310 helixtrans-55.8125.1-176.7-175.60000111.5N221 G222S219-N221 PolarHBondContact O-N 3.12Å; S219-N221 VanDerWaalsContact O-N 3.17Å; S219-G222 PolarHBondContact O-N 3.03Å
220K89.7Confident90.9Very high179 Ų17952.7 Ų52.778%0.77828%0.277SS*.G310 helixtrans52.234-177.3-59-176.6179.4-179.10113.1K214 S215 G218 G222K214-K220 CarbonylContact O-C 3.5Å; K214-K220 VanDerWaalsContact O-C 3.28Å; K214-K220 WeakPolarHBondContact O-CA 3.2Å; S215-K220 PolarHBondContact OG-N 3.49Å; G218-K220 PolarHBondContact O-N 3.31Å; K220-G222 PolarHBondContact O-N 3.33Å
221N91.5Very high90.9Very high7 Ų759 Ų594%0.03731%0.307CS..G310 helixtrans55.936.5-176.1-71.5-22.2000113.2H179 G213 K214 Y216 F217 G218 S219 E223 C224 G235H179-N221 PolarHBondContact NE2-ND2 3Å; G213-N221 PolarHBondContact O-ND2 2.96Å; G213-N221 PolarHBondContact O-OD1 3.25Å; K214-N221 PolarHBondContact O-N 2.92Å; K214-N221 VanDerWaalsContact O-N 3.13Å; K214-N221 PolarHBondContact O-OD1 3.25Å; Y216-N221 PolarHBondContact N-OD1 3.35Å; F217-N221 PolarHBondContact N-OD1 2.96Å; F217-N221 VanDerWaalsContact N-OD1 3.11Å; F217-N221 CarbonylContact O-C 3.56Å; F217-N221 VanDerWaalsContact O-CA 3.32Å; F217-N221 WeakPolarHBondContact O-CA 3.45Å; G218-N221 PolarHBondContact O-N 3.45Å; S219-N221 PolarHBondContact O-N 3.12Å; S219-N221 VanDerWaalsContact O-N 3.17Å; N221-E223 PolarHBondContact O-N 3.07Å; N221-E223 VanDerWaalsContact O-N 3.1Å; N221-C224 HydrophobicContact CB-CB 3.89Å; N221-C224 WeakPolarHBondContact O-CB 3.43Å; N221-C224 PolarHBondContact O-N 3.31Å; N221-G235 WeakPolarHBondContact O-CA 3.32Å
222G92.1Very high91Very high23 Ų2358.2 Ų58.224%0.23731%0.306CS..THydrogen-bonded Turntrans-60.3-16.2-178.800000115.4F217 S219 K220 G235 A236F217-G222 PolarHBondContact O-N 3.08Å; F217-G222 VanDerWaalsContact O-N 3.14Å; S219-G222 PolarHBondContact O-N 3.03Å; K220-G222 PolarHBondContact O-N 3.33Å; G222-G235 CarbonylContact O-C 3.58Å; G222-G235 VanDerWaalsContact O-CA 3.32Å; G222-G235 WeakPolarHBondContact O-CA 3.29Å; G222-A236 PolarHBondContact O-N 2.95Å
223E90.7Very high91.2Very high69 Ų6954.9 Ų54.932%0.32230%0.296SS..THydrogen-bonded Turntrans-113.911178.4-55.8-175168.400112.5F217 N221 S269F217-E223 HydrophobicContact CB-CB 4.4Å; F217-E223 PolarHBondContact O-N 3.32Å; N221-E223 PolarHBondContact O-N 3.07Å; N221-E223 VanDerWaalsContact O-N 3.1Å; E223-S269 PolarHBondContact OE2-N 3.46Å
224C93.5Very high91.5Very high0 Ų057.7 Ų57.70%031%0.306CS..  trans-66.3138.1-177.9179.80000112.1H179 F217 N221 C226 C229 G235 A236H179-C224 PolarHBondContact CD2-SG 3.29Å; F217-C224 HydrophobicContact CB-CB 3.99Å; F217-C224 HydrophobicContact CD2-CB 4.2Å; F217-C224 HydrophobicContact CG-CB 4.21Å; N221-C224 HydrophobicContact CB-CB 3.89Å; N221-C224 WeakPolarHBondContact O-CB 3.43Å; N221-C224 PolarHBondContact O-N 3.31Å; C224-C226 PolarHBondContact SG-N 3.11Å; C224-C226 VanDerWaalsContact SG-N 3.4Å; C224-C226 PolarHBondContact SG-SG 3.49Å; C224-C229 VanDerWaalsContact SG-SG 3.6Å; C224-G235 WeakPolarHBondContact O-CA 3.44Å; C224-A236 PolarHBondContact O-N 3.15Å
225K94.1Very high91.9Very high60 Ų6049.9 Ų49.926%0.26127%0.273SS..  trans-111.413.6179.7-61.4-176.6-177.4-179.90113.8R107 Y108 A236 Y237R107-K225 WeakPolarHBondContact CD-O 3.35Å; Y108-K225 HydrophobicContact CE1-CB 4.03Å; K225-A236 HydrophobicContact CG-CB 3.89Å; K225-Y237 HydrophobicContact CB-CE2 4.45Å; K225-Y237 PolarHBondContact O-OH 2.95Å
226C95.7Very high92.1Very high0 Ų049.9 Ų49.90%028%0.276CS..SBendtrans-66.7162.9-179.977.50000112.9H179 D180 C181 C224 T228 C229 E230H179-C226 VanDerWaalsContact O-CB 3.22Å; H179-C226 WeakPolarHBondContact O-CB 3.39Å; D180-C226 HydrophobicContact CB-CB 4.06Å; D180-C226 WeakPolarHBondContact OD2-CB 3.29Å; C181-C226 PolarHBondContact N-SG 2.94Å; C181-C226 VanDerWaalsContact N-SG 3.38Å; C224-C226 PolarHBondContact SG-N 3.11Å; C224-C226 VanDerWaalsContact SG-N 3.4Å; C224-C226 PolarHBondContact SG-SG 3.49Å; C226-T228 VanDerWaalsContact C-N 3.32Å; C226-T228 PolarHBondContact O-N 3.14Å; C226-C229 WeakPolarHBondContact O-CB 3.47Å; C226-C229 PolarHBondContact O-N 3.5Å; C226-C229 PolarHBondContact SG-N 3.1Å; C226-C229 VanDerWaalsContact SG-N 3.38Å; C226-E230 PolarHBondContact O-N 3.4Å
227A95Very high92.6Very high45 Ų4549.4 Ų49.437%0.37227%0.274SS..Hα-helixtrans-61.8-39.9-177.400000111.7D180 C229 E230 E231D180-A227 PolarHBondContact OD2-N 3.26Å; A227-C229 VanDerWaalsContact C-N 3.27Å; A227-C229 PolarHBondContact O-N 3.07Å; A227-E230 WeakPolarHBondContact O-CB 3.4Å; A227-E230 PolarHBondContact O-N 3.42Å; A227-E230 VanDerWaalsContact O-N 3.17Å; A227-E231 WeakPolarHBondContact O-CB 3.39Å; A227-E231 PolarHBondContact O-N 3.31Å
228T96.2Very high92.6Very high24 Ų2454.3 Ų54.315%0.14730%0.295CS..Hα-helixtrans-61.1-36.1174.6-65.20000112.5D180 C181 R182 C226 N232D180-T228 WeakPolarHBondContact OD1-CB 3.47Å; D180-T228 PolarHBondContact OD1-OG1 3.4Å; D180-T228 PolarHBondContact OD2-N 2.85Å; C181-T228 HydrophobicContact CB-CG2 4.08Å; R182-T228 HydrophobicContact CB-CG2 4Å; R182-T228 WeakPolarHBondContact CB-OG1 3.42Å; C226-T228 VanDerWaalsContact C-N 3.32Å; C226-T228 PolarHBondContact O-N 3.14Å; T228-N232 WeakPolarHBondContact CG2-ND2 3.42Å; T228-N232 WeakPolarHBondContact O-CB 3.37Å; T228-N232 PolarHBondContact O-N 3.28Å; T228-N232 PolarHBondContact O-ND2 3.34Å
229C95.8Very high92Very high6 Ų659.3 Ų59.34%0.04132%0.316CS..Hα-helixtrans-71.2-39176.5-77.10000111.5C224 C226 A227 G233 N234 Y237C224-C229 VanDerWaalsContact SG-SG 3.6Å; C226-C229 WeakPolarHBondContact O-CB 3.47Å; C226-C229 PolarHBondContact O-N 3.5Å; C226-C229 PolarHBondContact SG-N 3.1Å; C226-C229 VanDerWaalsContact SG-N 3.38Å; A227-C229 VanDerWaalsContact C-N 3.27Å; A227-C229 PolarHBondContact O-N 3.07Å; C229-G233 CarbonylContact O-C 3.45Å; C229-G233 WeakPolarHBondContact O-CA 3.44Å; C229-G233 PolarHBondContact O-N 2.96Å; C229-N234 HydrophobicContact CB-CB 4.28Å; C229-N234 PolarHBondContact O-N 3.45Å; C229-Y237 HydrophobicContact CB-CD2 4.02Å; C229-Y237 HydrophobicContact CB-CE2 4.19Å
230E94.9Very high90.9Very high110 Ų11059.5 Ų59.551%0.51431%0.309SS..Hα-helixtrans-61.1-53.4176.4-170.4170.5-164.500111.2C226 A227 N232 G233 Y237C226-E230 PolarHBondContact O-N 3.4Å; A227-E230 WeakPolarHBondContact O-CB 3.4Å; A227-E230 PolarHBondContact O-N 3.42Å; A227-E230 VanDerWaalsContact O-N 3.17Å; E230-N232 VanDerWaalsContact C-N 3.31Å; E230-N232 PolarHBondContact O-N 3.27Å; E230-G233 PolarHBondContact O-N 2.87Å; E230-G233 VanDerWaalsContact O-N 3.15Å; E230-Y237 HydrophobicContact CB-CD1 4.46Å; E230-Y237 HydrophobicContact CB-CD2 3.9Å; E230-Y237 HydrophobicContact CB-CE1 4.2Å; E230-Y237 HydrophobicContact CB-CE2 3.57Å; E230-Y237 HydrophobicContact CB-CG 4.32Å; E230-Y237 HydrophobicContact CG-CD1 4.21Å; E230-Y237 HydrophobicContact CG-CE1 3.96Å; E230-Y237 HydrophobicContact CG-CE2 4.25Å; E230-Y237 HydrophobicContact CG-CG 4.48Å; E230-Y237 VanDerWaalsContact N-CD2 3.32Å
231E94.7Very high89.1Confident142 Ų14256.6 Ų56.666%0.66429%0.294SS*.Hα-helixtrans-55.9-45.1178.7-175-178.5-168.700111.9A227 R241A227-E231 WeakPolarHBondContact O-CB 3.39Å; A227-E231 PolarHBondContact O-N 3.31Å; E231-R241 PolarHBondContact O-NH2 3.01Å
232N94.7Very high87.5Confident75 Ų7559.6 Ų59.640%0.40131%0.312SS..Hα-helixtrans-86.7-2.8-176.7-66.6-60000114.3T228 E230 N234 R241T228-N232 WeakPolarHBondContact CG2-ND2 3.42Å; T228-N232 WeakPolarHBondContact O-CB 3.37Å; T228-N232 PolarHBondContact O-N 3.28Å; T228-N232 PolarHBondContact O-ND2 3.34Å; E230-N232 VanDerWaalsContact C-N 3.31Å; E230-N232 PolarHBondContact O-N 3.27Å; N232-N234 VanDerWaalsContact C-N 3.26Å; N232-N234 WeakPolarHBondContact CB-ND2 3.44Å; N232-N234 PolarHBondContact O-N 3.42Å; N232-R241 VanDerWaalsContact O-CZ 3.24Å; N232-R241 PolarHBondContact O-NH2 3.13Å
233G92.7Very high85.9Confident8 Ų864.9 Ų64.98%0.08233%0.334CS..THydrogen-bonded Turntrans60.933.8-172.700000113.8C229 E230 K238C229-G233 CarbonylContact O-C 3.45Å; C229-G233 WeakPolarHBondContact O-CA 3.44Å; C229-G233 PolarHBondContact O-N 2.96Å; E230-G233 PolarHBondContact O-N 2.87Å; E230-G233 VanDerWaalsContact O-N 3.15Å; G233-K238 WeakPolarHBondContact O-CA 3.43Å
234N94.3Very high84.3Confident79 Ų7968 Ų6842%0.42235%0.353SS..  trans-100.2-179.5176.3-75.8-43.8000110.9C229 N232 A236 Y237C229-N234 HydrophobicContact CB-CB 4.28Å; C229-N234 PolarHBondContact O-N 3.45Å; N232-N234 VanDerWaalsContact C-N 3.26Å; N232-N234 WeakPolarHBondContact CB-ND2 3.44Å; N232-N234 PolarHBondContact O-N 3.42Å; N234-A236 PolarHBondContact O-N 2.98Å; N234-Y237 WeakPolarHBondContact O-CB 3.27Å; N234-Y237 WeakPolarHBondContact O-CD2 3.38Å; N234-Y237 PolarHBondContact O-N 3.22Å
235G93.5Very high82.5Confident5 Ų571.4 Ų71.45%0.05239%0.388CS..G310 helixtrans55.7-135.2179.200000112.3N221 G222 C224 Y237 K238N221-G235 WeakPolarHBondContact O-CA 3.32Å; G222-G235 CarbonylContact O-C 3.58Å; G222-G235 VanDerWaalsContact O-CA 3.32Å; G222-G235 WeakPolarHBondContact O-CA 3.29Å; C224-G235 WeakPolarHBondContact O-CA 3.44Å; G235-Y237 PolarHBondContact O-N 3.45Å; G235-Y237 VanDerWaalsContact O-N 3.09Å; G235-K238 WeakPolarHBondContact O-CG 3.42Å; G235-K238 PolarHBondContact O-N 3.44Å
236A91.9Very high80.5Confident47 Ų4777.1 Ų77.139%0.38841%0.413SS..G310 helixtrans-62.7-14.7179.100000113.8G222 C224 K225 N234G222-A236 PolarHBondContact O-N 2.95Å; C224-A236 PolarHBondContact O-N 3.15Å; K225-A236 HydrophobicContact CG-CB 3.89Å; N234-A236 PolarHBondContact O-N 2.98Å
237Y92.9Very high77.8Confident34 Ų3478.9 Ų78.913%0.13343%0.431CS..G310 helixtrans-92.72.6-175.9-49.4-79.2000113.8K225 C229 E230 N234 G235 I239 L240K225-Y237 HydrophobicContact CB-CE2 4.45Å; K225-Y237 PolarHBondContact O-OH 2.95Å; C229-Y237 HydrophobicContact CB-CD2 4.02Å; C229-Y237 HydrophobicContact CB-CE2 4.19Å; E230-Y237 HydrophobicContact CB-CD1 4.46Å; E230-Y237 HydrophobicContact CB-CD2 3.9Å; E230-Y237 HydrophobicContact CB-CE1 4.2Å; E230-Y237 HydrophobicContact CB-CE2 3.57Å; E230-Y237 HydrophobicContact CB-CG 4.32Å; E230-Y237 HydrophobicContact CG-CD1 4.21Å; E230-Y237 HydrophobicContact CG-CE1 3.96Å; E230-Y237 HydrophobicContact CG-CE2 4.25Å; E230-Y237 HydrophobicContact CG-CG 4.48Å; E230-Y237 VanDerWaalsContact N-CD2 3.32Å; N234-Y237 WeakPolarHBondContact O-CB 3.27Å; N234-Y237 WeakPolarHBondContact O-CD2 3.38Å; N234-Y237 PolarHBondContact O-N 3.22Å; G235-Y237 PolarHBondContact O-N 3.45Å; G235-Y237 VanDerWaalsContact O-N 3.09Å; Y237-I239 VanDerWaalsContact C-N 3.27Å; Y237-I239 PolarHBondContact O-N 3.34Å; Y237-L240 HydrophobicContact CD1-CD1 3.81Å; Y237-L240 PolarHBondContact O-N 2.96Å
238K86.7Confident75.2Confident113 Ų11386.1 Ų86.149%0.49146%0.455SS..THydrogen-bonded Turntrans-57.4-35.9179.4-78179.3179.51800113.9G233 G235G233-K238 WeakPolarHBondContact O-CA 3.43Å; G235-K238 WeakPolarHBondContact O-CG 3.42Å; G235-K238 PolarHBondContact O-N 3.44Å
239I74.8Confident72.4Confident124 Ų12490.3 Ų90.364%0.63648%0.483SS*.THydrogen-bonded Turntrans-73.8-33.6-178.5-64174.8000111.2Y237 R241 V242 L243Y237-I239 VanDerWaalsContact C-N 3.27Å; Y237-I239 PolarHBondContact O-N 3.34Å; I239-R241 PolarHBondContact O-N 3.44Å; I239-V242 WeakPolarHBondContact O-CB 3.25Å; I239-V242 PolarHBondContact O-N 3.17Å; I239-L243 PolarHBondContact O-N 2.94Å
240L63.6Low69.9Low99 Ų9996.6 Ų96.652%0.51852%0.515SS..Hα-helixtrans-61.2-34.4-178.4-60.6179.1000111.9Y237 V242 L243 D244Y237-L240 HydrophobicContact CD1-CD1 3.81Å; Y237-L240 PolarHBondContact O-N 2.96Å; L240-V242 VanDerWaalsContact C-N 3.33Å; L240-V242 PolarHBondContact O-N 3.29Å; L240-L243 PolarHBondContact O-N 3.41Å; L240-D244 PolarHBondContact O-N 3.24Å
241R52Low67.2Low118 Ų11899.9 Ų99.945%0.44553%0.53SS..Hα-helixtrans-70.5-24.1175.5-72.8-158174-165.94.3114.7E231 N232 I239 G247E231-R241 PolarHBondContact O-NH2 3.01Å; N232-R241 VanDerWaalsContact O-CZ 3.24Å; N232-R241 PolarHBondContact O-NH2 3.13Å; I239-R241 PolarHBondContact O-N 3.44Å; R241-G247 PolarHBondContact O-N 3.39Å
242V58.1Low64.5Low70 Ų70104.1 Ų104.142%0.42454%0.54SS..Hα-helixtrans-74.7-35.1177.3-178.80000110.4I239 L240 L250I239-V242 WeakPolarHBondContact O-CB 3.25Å; I239-V242 PolarHBondContact O-N 3.17Å; L240-V242 VanDerWaalsContact C-N 3.33Å; L240-V242 PolarHBondContact O-N 3.29Å; V242-L250 HydrophobicContact CG1-CD1 4.28Å; V242-L250 HydrophobicContact CG2-CD1 4.39Å; V242-L250 HydrophobicContact CG2-CG 4.49Å
243L57.7Low61.5Low135 Ų135110.5 Ų110.571%0.70756%0.558SS**Hα-helixtrans-74.8-35.9178.8-64.4174000112.6I239 L240 G245I239-L243 PolarHBondContact O-N 2.94Å; L240-L243 PolarHBondContact O-N 3.41Å; L243-G245 PolarHBondContact O-N 2.98Å; L243-G245 VanDerWaalsContact O-N 3.13Å
244D58.5Low58.8Low133 Ų133120 Ų12071%0.71160%0.597SS**THydrogen-bonded Turntrans-77.512.6178.9-79.9-3.9000114.6L240 K246L240-D244 PolarHBondContact O-N 3.24Å; D244-K246 PolarHBondContact O-N 2.85Å
245G54.2Low55.8Low72 Ų72120.6 Ų120.674%0.74261%0.608SS**THydrogen-bonded Turntrans673.8175.100000116L243L243-G245 PolarHBondContact O-N 2.98Å; L243-G245 VanDerWaalsContact O-N 3.13Å
246K52.2Low52.9Low180 Ų180131.5 Ų131.578%0.78365%0.648SS**  trans-96.812.5176.6-67.7-175.9-179.2174.90113.5D244D244-K246 PolarHBondContact O-N 2.85Å
247G39.8Very low50.3Low37 Ų37134.9 Ų134.938%0.38167%0.666SS.*PPolyproline II helixtrans-82.3133.9178.800000112.6R241R241-G247 PolarHBondContact O-N 3.39Å
248F40.3Very low47.3Very low197 Ų197140.3 Ų140.386%0.86470%0.697SS**PPolyproline II helixtrans-60.6145155.8-87.3-92.9000109L250F248-L250 PolarHBondContact O-N 2.9Å
249P37.6Very low44.9Very low113 Ų113140.4 Ų140.473%0.73471%0.709SS**PPolyproline II helixtrans-53.3127.4-178.5-21.530.3000110.1H251P249-H251 PolarHBondContact O-N 3.46Å
250L42.7Very low43.3Very low137 Ų137138 Ų13872%0.71771%0.708SS**  trans-54105168.4-82164.4000107.1V242 F248 R252V242-L250 HydrophobicContact CG1-CD1 4.28Å; V242-L250 HydrophobicContact CG2-CD1 4.39Å; V242-L250 HydrophobicContact CG2-CG 4.49Å; F248-L250 PolarHBondContact O-N 2.9Å; L250-R252 VanDerWaalsContact C-N 3.35Å; L250-R252 PolarHBondContact O-N 2.61Å
251H39.3Very low42.2Very low179 Ų179139.2 Ų139.283%0.82972%0.722SS**  trans-57.5106.9168.4-114.4-61.5000106.1P249 R253P249-H251 PolarHBondContact O-N 3.46Å; H251-R253 PolarHBondContact O-N 2.97Å
252R36.7Very low41.6Very low232 Ų232144.7 Ų144.788%0.87574%0.742SS**  trans-61.378.3168.1-85.2-175.6177.8179.40.1108.2L250L250-R252 VanDerWaalsContact C-N 3.35Å; L250-R252 PolarHBondContact O-N 2.61Å
253R33.2Very low41.2Very low209 Ų209144.7 Ų144.779%0.78974%0.744SS**  trans-128.385.3151.6-78-172.3178177.60.2105.4H251 S255H251-R253 PolarHBondContact O-N 2.97Å; R253-S255 PolarHBondContact O-N 2.92Å
254F34.1Very low40.9Very low206 Ų206144.5 Ų144.590%0.90474%0.737SS**  trans-63.569.3148.5-75.4-82.2000107.3R256F254-R256 PolarHBondContact O-N 3.34Å; F254-R256 VanDerWaalsContact O-N 3.15Å
255S32.9Very low40.6Very low92 Ų92139.3 Ų139.364%0.64371%0.708SS**  trans-65.7112154.5-66.10000103.9R253 P257R253-S255 PolarHBondContact O-N 2.92Å; S255-P257 VanDerWaalsContact O-N 3.15Å
256R32.6Very low40Very low234 Ų234137.1 Ų137.188%0.88369%0.685SS**  trans-38.4126169.5-78.2179161.8-175.1-5107.3F254 N258F254-R256 PolarHBondContact O-N 3.34Å; F254-R256 VanDerWaalsContact O-N 3.15Å; R256-N258 PolarHBondContact O-N 3Å
257P36.5Very low39.2Very low119 Ų119131.4 Ų131.477%0.77366%0.663SS**  trans-55.5118-18019.5-28000107S255 P259S255-P257 VanDerWaalsContact O-N 3.15Å; P257-P259 VanDerWaalsContact O-N 3.16Å
258N30.8Very low39Very low148 Ų148137.3 Ų137.379%0.79167%0.674SS**  trans-50.9124.5165.3-158.610000105R256 A260R256-N258 PolarHBondContact O-N 3Å; N258-A260 PolarHBondContact O-N 2.8Å
259P35.8Very low38.4Very low115 Ų115131.9 Ų131.975%0.74766%0.66SS**  trans-69.280.1-178.427.6-32.7000107.9P257P257-P259 VanDerWaalsContact O-N 3.16Å
260A41.6Very low37.9Very low74 Ų74131.4 Ų131.461%0.61265%0.652SS**PPolyproline II helixtrans-57132.1157.500000105.5N258 R262N258-A260 PolarHBondContact O-N 2.8Å; A260-R262 PolarHBondContact O-N 3.33Å
261P38.9Very low37Very low123 Ų123129.2 Ų129.280%0.79965%0.653SS**PPolyproline II helixtrans-49.8121.4175.4-22.429.6000108
262R41.1Very low36.3Very low234 Ų234126.7 Ų126.788%0.88365%0.645SS**PPolyproline II helixtrans-55128.9173.3-70.7-175.3179-142.20.6106.4A260 K264A260-R262 PolarHBondContact O-N 3.33Å; R262-K264 PolarHBondContact O-N 3.01Å
263P48.8Very low35.7Very low70 Ų70120.7 Ų120.746%0.45564%0.638SS.*PPolyproline II helixtrans-51.7137.2167.3-20.530.8000107.9Y265P263-Y265 CarbonylContact O-C 3.58Å; P263-Y265 PolarHBondContact O-N 3.4Å
264K52.3Low35.4Very low131 Ų131115.8 Ų115.857%0.5764%0.636SS**SBendtrans-50.8-24.8-178-168.8177.4-175.6-177.20113E145 R262E145-K264 WeakPolarHBondContact OE1-CD 3.28Å; E145-K264 WeakPolarHBondContact OE1-CE 3.46Å; E145-K264 IonicContact OE1-NZ 3.17Å; E145-K264 PolarHBondContact OE1-NZ 3.42Å; E145-K264 IonicContact OE2-NZ 3.51Å; E145-K264 PolarHBondContact OE2-NZ 3.4Å; R262-K264 PolarHBondContact O-N 3.01Å
265Y51.5Low35Very low24 Ų24109.5 Ų109.59%0.09462%0.618CS.*SBendtrans-126117.1174-59.7-81.8000109.2E145 I149 D155 V158 V160 A167 P263E145-Y265 WeakPolarHBondContact CG-OH 3.17Å; E145-Y265 WeakPolarHBondContact OE1-CE2 3.33Å; E145-Y265 VanDerWaalsContact OE1-CZ 3.29Å; E145-Y265 PolarHBondContact OE1-OH 2.93Å; I149-Y265 HydrophobicContact CG2-CE1 4.05Å; D155-Y265 HydrophobicContact CB-CD1 4.11Å; D155-Y265 HydrophobicContact CB-CE1 4.23Å; V158-Y265 HydrophobicContact CB-CD1 4.29Å; V158-Y265 HydrophobicContact CB-CE1 4.13Å; V158-Y265 HydrophobicContact CG1-CD1 4.28Å; V158-Y265 HydrophobicContact CG1-CD2 4.1Å; V158-Y265 HydrophobicContact CG1-CE1 3.92Å; V158-Y265 HydrophobicContact CG1-CE2 3.72Å; V158-Y265 HydrophobicContact CG1-CG 4.33Å; V158-Y265 HydrophobicContact CG2-CE1 4.06Å; V160-Y265 HydrophobicContact CG2-CD2 3.33Å; V160-Y265 HydrophobicContact CG2-CE2 3.85Å; V160-Y265 HydrophobicContact CG2-CG 4.2Å; A167-Y265 HydrophobicContact CB-CE2 4.43Å; P263-Y265 CarbonylContact O-C 3.58Å; P263-Y265 PolarHBondContact O-N 3.4Å
266G42.2Very low34.7Very low26 Ų26112.7 Ų112.727%0.26863%0.627SS.*  trans-154126.4172.800000108.6
267L35.4Very low34.4Very low59 Ų59108.2 Ų108.231%0.30963%0.626SS.*PPolyproline II helixtrans-58.2148.9178.8-148.299.8000110.4F156 F217F156-L267 HydrophobicContact CD1-CD1 4.38Å; F156-L267 HydrophobicContact CE1-CD1 4.05Å; F217-L267 HydrophobicContact CD1-CB 4.04Å; F217-L267 HydrophobicContact CD1-CD2 4.48Å; F217-L267 HydrophobicContact CE1-CB 4.47Å
268R34.4Very low33.9Very low161 Ų161106.8 Ų106.861%0.60862%0.624SS**PPolyproline II helixtrans-86.2150176-62.4178.6-178.5-175.9-0.1111.1E151 N270E151-R268 IonicContact OE1-CZ 3.58Å; E151-R268 IonicContact OE1-NE 3.32Å; E151-R268 PolarHBondContact OE1-NE 3.24Å; E151-R268 IonicContact OE1-NH2 2.93Å; E151-R268 PolarHBondContact OE1-NH2 2.86Å; R268-N270 PolarHBondContact O-N 3.43Å
269S27.8Very low33.7Very low84 Ų84109.2 Ų109.259%0.58763%0.63SS**PPolyproline II helixtrans-59.7118.8159.957.60000109.9E223 A271E223-S269 PolarHBondContact OE2-N 3.46Å; S269-A271 VanDerWaalsContact C-N 3.34Å; S269-A271 PolarHBondContact O-N 2.91Å
270N26.6Very low33.4Very low103 Ų103107 Ų10755%0.55163%0.629SS**  trans-68.298.3163-87.2-8.9000107.2R268 L272R268-N270 PolarHBondContact O-N 3.43Å; N270-L272 PolarHBondContact O-N 3.37Å
271A24.4Very low32.8Very low90 Ų90111.7 Ų111.774%0.74464%0.644SS**THydrogen-bonded Turntrans-69.233.116800000112.9S269S269-A271 VanDerWaalsContact C-N 3.34Å; S269-A271 PolarHBondContact O-N 2.91Å
272L24Very low32.5Very low127 Ų127110.7 Ų110.767%0.66563%0.632SS**THydrogen-bonded Turntrans-109.211.5171.6-85.5163.5000112.7N270 S274 S275N270-L272 PolarHBondContact O-N 3.37Å; L272-S274 PolarHBondContact O-N 2.95Å; L272-S274 VanDerWaalsContact O-N 3.12Å; L272-S275 PolarHBondContact O-OG 3.42Å
273S25.3Very low32Very low105 Ų105105.2 Ų105.273%0.73463%0.626SS**THydrogen-bonded Turntrans-729.4169.6-172.40000114.1
274S25.8Very low31.1Very low107 Ų107111.2 Ų111.275%0.74864%0.64SS**THydrogen-bonded Turntrans-94.310.2172.454.40000114.2L272L272-S274 PolarHBondContact O-N 2.95Å; L272-S274 VanDerWaalsContact O-N 3.12Å
275S26.7Very low30.1Very low74 Ų74110.6 Ų110.652%0.51765%0.649SS.*SBendtrans-131.514.2179.547.80000116.3L272L272-S275 PolarHBondContact O-OG 3.42Å
276L25.8Very low29.2Very low158 Ų158120 Ų12083%0.82769%0.685SS**  trans-102.130.9174.3-71.3171.7000113.9
277T25.6Very low28.5Very low141 Ų141129.7 Ų129.787%0.86571%0.713SS**  trans-100.972.7151.756.40000107.9
278A27.8Very low28.3Very low88 Ų88130.9 Ų130.973%0.72773%0.725SS**  trans-141.5118.7162.600000107
279E25.6Very low28.2Very low199 Ų199134.2 Ų134.293%0.9374%0.738SS**  trans-62.4154.3-170.9-57.5-165.9136.400113.9
280G28.6Very low28.4Very low70 Ų70135.4 Ų135.472%0.72274%0.737SS**  trans88.39414900000116
281D30.7Very low29Very low171 Ų171141.4 Ų141.491%0.91475%0.752SS**  trans-153.3119.1138.2-106.6-24.4000111.1
282D31.5Very low29.8Very low102 Ų102142 Ų14255%0.54575%0.751SS.*  trans-51.3125.8-176.5175.415.6000112.8R284D282-R284 VanDerWaalsContact C-N 3.32Å; D282-R284 PolarHBondContact O-N 2.94Å; D282-R284 IonicContact OD2-CZ 3.46Å; D282-R284 IonicContact OD2-NE 2.85Å; D282-R284 PolarHBondContact OD2-NE 2.83Å; D282-R284 IonicContact OD2-NH2 3.13Å; D282-R284 PolarHBondContact OD2-NH2 2.95Å; D282-R284 VanDerWaalsContact OD2-NH2 3.13Å
283P31.5Very low30.6Very low119 Ų119140 Ų14077%0.77375%0.746SS**  trans-8174-178.534.7-35000110.9P285P283-P285 WeakPolarHBondContact O-CD 3.28Å
284R29.3Very low31.2Very low197 Ų197143.8 Ų143.874%0.74375%0.745SS**PPolyproline II helixtrans-84.1123.2164.1-67.5-171.7-142.9-1768.8110.9D282 W286D282-R284 VanDerWaalsContact C-N 3.32Å; D282-R284 PolarHBondContact O-N 2.94Å; D282-R284 IonicContact OD2-CZ 3.46Å; D282-R284 IonicContact OD2-NE 2.85Å; D282-R284 PolarHBondContact OD2-NE 2.83Å; D282-R284 IonicContact OD2-NH2 3.13Å; D282-R284 PolarHBondContact OD2-NH2 2.95Å; D282-R284 VanDerWaalsContact OD2-NH2 3.13Å; R284-W286 PolarHBondContact O-N 2.59Å
285P31.8Very low31.6Very low117 Ų117145.8 Ų145.876%0.7675%0.747SS**PPolyproline II helixtrans-66.3134178.823.2-29.7000111.4P283 R287P283-P285 WeakPolarHBondContact O-CD 3.28Å; P285-R287 PolarHBondContact O-N 3.09Å
286W32.3Very low32.1Very low223 Ų223147.7 Ų147.785%0.84576%0.76SS**PPolyproline II helixtrans-61.1120.5-177.4-75.371.6000111.8R284R284-W286 PolarHBondContact O-N 2.59Å
287R26.7Very low32.7Very low228 Ų228147 Ų14786%0.8676%0.762SS**PPolyproline II helixtrans-84.1129.5170.4-71.8-175.5-173-95.91.7111.1P285 R289P285-R287 PolarHBondContact O-N 3.09Å; R287-R289 PolarHBondContact O-N 2.86Å
288C31.7Very low33.3Very low84 Ų84153.8 Ų153.857%0.56878%0.78SS**PPolyproline II helixtrans-57.4130.9169.7-177.40000110.7
289R32Very low33.6Very low231 Ų231157.1 Ų157.187%0.87278%0.783SS**  trans-94.510.9-175.7-66-170-173.5-1433114.8R287R287-R289 PolarHBondContact O-N 2.86Å
290L32.9Very low34Very low109 Ų109154.9 Ų154.957%0.57178%0.775SS**  trans-82.3130.4175.3-67.7172.1000111.1S292 C293L290-S292 PolarHBondContact O-N 3.28Å; L290-C293 PolarHBondContact O-N 3.25Å
291R38.9Very low34.3Very low230 Ų230159.6 Ų159.687%0.86878%0.778SS**G310 helixtrans-58.7-29.9-179.6-90.6-174.1178.2-151.50.1113.2C293 R294R291-C293 PolarHBondContact O-N 2.9Å; R291-R294 PolarHBondContact O-N 2.98Å
292S42.1Very low34.5Very low101 Ų101158.9 Ų158.971%0.70677%0.77SS**G310 helixtrans-67.1-21.8-179.853.90000113.7L290 R294L290-S292 PolarHBondContact O-N 3.28Å; S292-R294 VanDerWaalsContact C-N 3.31Å; S292-R294 PolarHBondContact O-N 3.44Å
293C40Very low34.7Very low85 Ų85162.5 Ų162.557%0.57478%0.784SS**G310 helixtrans-86.85.2178.6-55.90000113.7L290 R291L290-C293 PolarHBondContact O-N 3.25Å; R291-C293 PolarHBondContact O-N 2.9Å
294R38Very low34.9Very low186 Ų186165.4 Ų165.470%0.70279%0.785SS**G310 helixtrans-91-1.5-176.4-71.1-169.1-179-156.7-0.2115.1R291 S292R291-R294 PolarHBondContact O-N 2.98Å; S292-R294 VanDerWaalsContact C-N 3.31Å; S292-R294 PolarHBondContact O-N 3.44Å
295N35Very low35.3Very low148 Ų148163.1 Ų163.179%0.79179%0.788SS**  trans-110.480.8-178.8-75.31.8000111.5
296S36.6Very low35.6Very low114 Ų114166.7 Ų166.780%0.79779%0.79SS**  trans-174.982.7150.8-83.50000107.5
297T37.2Very low35.9Very low143 Ų143162 Ų16288%0.87779%0.785SS**  trans-172.183.5160.516.30000105.9
298K39.6Very low36.7Very low285 Ų285156 Ų156100%1.23978%0.779SS**  trans-111.70143.5-85.6-168.9176.8-175.40106

Retrieved 298 of 298 residues in 203.3 ms (Link to these results)

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