A0A077Z9V8_TRITR Loading...

UPF0172 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9V8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 147 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M54.3Low84.2Confident237 Ų23772.5 Ų72.5100%1.16740%0.395SS*.  0129.70-115162.7156.100108.3
2A71.6Confident84.9Confident45 Ų4566.4 Ų66.437%0.37236%0.362SS..  trans-76.3139.7170.300000108.5V4 G38 R39A2-V4 PolarHBondContact O-N 3.48Å; A2-G38 WeakPolarHBondContact CB-O 3.49Å; A2-R39 CarbonylContact C-O 3.44Å; A2-R39 WeakPolarHBondContact CA-O 3.22Å; A2-R39 WeakPolarHBondContact CB-O 3.34Å
3E81.4Confident85.7Confident123 Ų12361.3 Ų61.358%0.57533%0.334SS*.EExtended strand (participates in β ladder)trans-74.7123.5172.1-62.2168.8179.100107.9R39 R40 V41E3-R39 PolarHBondContact N-O 2.98Å; E3-R40 HydrophobicContact CB-CG 4.21Å; E3-R40 WeakPolarHBondContact O-CA 3.49Å; E3-R40 WeakPolarHBondContact OE2-CD 3.03Å; E3-V41 PolarHBondContact O-N 2.64Å
4V85.1Confident86.3Confident95 Ų9559.1 Ų59.158%0.57632%0.323SS*.EExtended strand (participates in β ladder)trans-110.3116.4-179.7-175.30000107.9A2 V41 I43A2-V4 PolarHBondContact O-N 3.48Å; V4-V41 CarbonylContact C-O 3.58Å; V4-V41 WeakPolarHBondContact CA-O 3.38Å; V4-I43 HydrophobicContact CG1-CD1 3.74Å; V4-I43 HydrophobicContact CG1-CG1 4.49Å
5G88Confident86.6Confident34 Ų3457.8 Ų57.835%0.35132%0.316SS..EExtended strand (participates in β ladder)trans-95.7126.2169.900000109.7V41 I43G5-V41 PolarHBondContact N-O 3.27Å; G5-I43 PolarHBondContact O-N 2.88Å
6L88.7Confident87.2Confident81 Ų8154.2 Ų54.242%0.42430%0.296SS..EExtended strand (participates in β ladder)trans-107.5121.7175.5179.264.8000109.8A10 L11 I43L6-A10 HydrophobicContact CD1-CB 3.93Å; L6-L11 HydrophobicContact CD2-CB 3.98Å; L6-L11 HydrophobicContact CD2-CD1 4.09Å; L6-L11 HydrophobicContact CD2-CD2 4.4Å; L6-L11 HydrophobicContact CD2-CG 4.38Å; L6-L11 HydrophobicContact CG-CB 4.25Å; L6-I43 HydrophobicContact CD1-CB 3.99Å; L6-I43 HydrophobicContact CD1-CD1 3.85Å; L6-I43 HydrophobicContact CD1-CG2 3.79Å
7S90.6Very high87.7Confident42 Ų4251 Ų5129%0.29428%0.278SS..  trans-68.9143.6171.3-1780000111L9 A10 L11 I43 V44S7-L9 PolarHBondContact O-N 2.92Å; S7-L9 PolarHBondContact OG-N 2.86Å; S7-A10 PolarHBondContact O-N 3.46Å; S7-L11 PolarHBondContact O-N 3.24Å; S7-L11 VanDerWaalsContact O-N 3.09Å; S7-I43 VanDerWaalsContact CB-O 3.22Å; S7-I43 WeakPolarHBondContact CB-O 3.28Å; S7-I43 PolarHBondContact N-O 2.9Å; S7-V44 WeakPolarHBondContact CB-O 3.46Å; S7-V44 PolarHBondContact OG-O 2.83Å
8Y89.7Confident88Confident110 Ų11050.1 Ų50.143%0.43128%0.279SS..Hα-helixtrans-60.4-32.3173.4-60.3-58.8000112L11 A12 A104Y8-L11 PolarHBondContact O-N 3.03Å; Y8-A12 VanDerWaalsContact O-CB 3.26Å; Y8-A12 WeakPolarHBondContact O-CB 3.2Å; Y8-A12 PolarHBondContact O-N 2.97Å; Y8-A104 HydrophobicContact CD1-CB 3.71Å; Y8-A104 HydrophobicContact CE1-CB 3.58Å
9L92.6Very high88.2Confident10 Ų1049 Ų495%0.05228%0.277CS..Hα-helixtrans-63-49.4176.7-175.7156.4000111.5S7 L11 A12 K13 D45 N140 E144 L147S7-L9 PolarHBondContact O-N 2.92Å; S7-L9 PolarHBondContact OG-N 2.86Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 3.36Å; L9-A12 PolarHBondContact O-N 2.83Å; L9-K13 HydrophobicContact CD2-CD 4.4Å; L9-K13 PolarHBondContact O-N 2.99Å; L9-D45 HydrophobicContact CD2-CB 4.05Å; L9-D45 VanDerWaalsContact CD2-CG 3.42Å; L9-D45 WeakPolarHBondContact CD2-OD1 3.46Å; L9-N140 HydrophobicContact CD1-CB 4.04Å; L9-E144 HydrophobicContact CD1-CG 3.67Å; L9-E144 WeakPolarHBondContact CD1-OE1 3.35Å; L9-L147 HydrophobicContact CB-CD1 4.39Å
10A93.2Very high88.6Confident0 Ų049 Ų490%027%0.274CS..Hα-helixtrans-60.2-44.2177.100000111.2L6 S7 K13 V14 I43 A46L6-A10 HydrophobicContact CD1-CB 3.93Å; S7-A10 PolarHBondContact O-N 3.46Å; A10-K13 PolarHBondContact O-N 2.95Å; A10-V14 VanDerWaalsContact O-CG2 3.27Å; A10-V14 WeakPolarHBondContact O-CG2 3.34Å; A10-V14 PolarHBondContact O-N 2.93Å; A10-V14 VanDerWaalsContact O-N 3.14Å; A10-I43 HydrophobicContact CB-CG2 3.63Å; A10-A46 HydrophobicContact CB-CB 4.2Å
11L91.5Very high88.8Confident20 Ų2047.7 Ų47.711%0.10527%0.265CS..Hα-helixtrans-63.4-43.2177.1179.958.8000112.1L6 S7 Y8 L9 K13 V14 I15 L98 I108L6-L11 HydrophobicContact CD2-CB 3.98Å; L6-L11 HydrophobicContact CD2-CD1 4.09Å; L6-L11 HydrophobicContact CD2-CD2 4.4Å; L6-L11 HydrophobicContact CD2-CG 4.38Å; L6-L11 HydrophobicContact CG-CB 4.25Å; S7-L11 PolarHBondContact O-N 3.24Å; S7-L11 VanDerWaalsContact O-N 3.09Å; Y8-L11 PolarHBondContact O-N 3.03Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 3.36Å; L11-K13 PolarHBondContact O-N 2.85Å; L11-V14 PolarHBondContact O-N 3.39Å; L11-I15 HydrophobicContact CD1-CD1 3.85Å; L11-I15 HydrophobicContact CD1-CG1 4.28Å; L11-I15 HydrophobicContact CG-CD1 3.95Å; L11-I15 WeakPolarHBondContact O-CG1 3.47Å; L11-I15 PolarHBondContact O-N 2.86Å; L11-L98 HydrophobicContact CD1-CD1 4.09Å; L11-L98 HydrophobicContact CD1-CD2 3.4Å; L11-L98 HydrophobicContact CD1-CG 4.41Å; L11-L98 HydrophobicContact CD2-CD2 4.15Å; L11-L98 HydrophobicContact CG-CD2 4.43Å; L11-I108 HydrophobicContact CD2-CD1 3.75Å; L11-I108 HydrophobicContact CG-CD1 3.9Å
12A92.7Very high90.5Very high0 Ų041.3 Ų41.30%024%0.241CC..Hα-helixtrans-59.3-47.217800000110.6Y8 L9 V14 I15 L16 L143 L147Y8-A12 VanDerWaalsContact O-CB 3.26Å; Y8-A12 WeakPolarHBondContact O-CB 3.2Å; Y8-A12 PolarHBondContact O-N 2.97Å; L9-A12 PolarHBondContact O-N 2.83Å; A12-V14 PolarHBondContact O-N 3.38Å; A12-I15 PolarHBondContact O-N 3.06Å; A12-L16 WeakPolarHBondContact O-CB 3.31Å; A12-L16 WeakPolarHBondContact O-CG 3.36Å; A12-L16 PolarHBondContact O-N 3.33Å; A12-L143 HydrophobicContact CB-CD1 4.19Å; A12-L143 HydrophobicContact CB-CD2 4.18Å; A12-L147 HydrophobicContact CB-CD1 4.21Å
13K95.1Very high91.3Very high0 Ų045.9 Ų45.90%025%0.254CS..Hα-helixtrans-59.5-42.6175.7-77.1-172.5-178.4174.80113.5L9 A10 L11 I15 L16 H17 D45 A46 W135 N140 L143L9-K13 HydrophobicContact CD2-CD 4.4Å; L9-K13 PolarHBondContact O-N 2.99Å; A10-K13 PolarHBondContact O-N 2.95Å; L11-K13 PolarHBondContact O-N 2.85Å; K13-I15 VanDerWaalsContact C-N 3.32Å; K13-I15 PolarHBondContact O-N 2.79Å; K13-L16 PolarHBondContact O-N 2.76Å; K13-H17 VanDerWaalsContact O-CB 3.26Å; K13-H17 WeakPolarHBondContact O-CB 3.47Å; K13-H17 PolarHBondContact O-N 3.09Å; K13-D45 VanDerWaalsContact CD-OD1 3.28Å; K13-D45 WeakPolarHBondContact CD-OD1 3.31Å; K13-D45 WeakPolarHBondContact CE-OD1 3.41Å; K13-D45 IonicContact NZ-OD1 3.99Å; K13-D45 PolarHBondContact NZ-OD1 3.33Å; K13-D45 IonicContact NZ-OD2 3.59Å; K13-D45 PolarHBondContact NZ-OD2 2.92Å; K13-A46 HydrophobicContact CB-CB 4.13Å; K13-A46 WeakPolarHBondContact CD-O 3.28Å; K13-A46 PolarHBondContact NZ-O 2.92Å; K13-W135 PolarHBondContact NZ-O 3.06Å; K13-N140 WeakPolarHBondContact CE-OD1 3.48Å; K13-N140 PolarHBondContact NZ-ND2 3.47Å; K13-N140 PolarHBondContact NZ-OD1 3.01Å; K13-L143 HydrophobicContact CG-CD1 4.23Å
14V93.2Very high91.8Very high30 Ų3041.1 Ų41.118%0.18224%0.235CC..Hα-helixtrans-58-47.3176.81730000110.6A10 L11 A12 H17 A18 L30 A46 Y85A10-V14 VanDerWaalsContact O-CG2 3.27Å; A10-V14 WeakPolarHBondContact O-CG2 3.34Å; A10-V14 PolarHBondContact O-N 2.93Å; A10-V14 VanDerWaalsContact O-N 3.14Å; L11-V14 PolarHBondContact O-N 3.39Å; A12-V14 PolarHBondContact O-N 3.38Å; V14-H17 PolarHBondContact O-N 2.94Å; V14-A18 PolarHBondContact O-N 3.19Å; V14-L30 HydrophobicContact CG2-CD2 4.25Å; V14-A46 HydrophobicContact CG2-CB 4.05Å; V14-Y85 HydrophobicContact CB-CD2 4.42Å; V14-Y85 HydrophobicContact CB-CE2 4.36Å; V14-Y85 HydrophobicContact CG1-CD2 3.75Å; V14-Y85 HydrophobicContact CG1-CE2 4Å; V14-Y85 HydrophobicContact CG1-CG 4.18Å; V14-Y85 HydrophobicContact CG2-CD1 3.7Å; V14-Y85 HydrophobicContact CG2-CD2 4.1Å; V14-Y85 HydrophobicContact CG2-CE1 3.77Å; V14-Y85 HydrophobicContact CG2-CE2 4.16Å; V14-Y85 HydrophobicContact CG2-CG 3.86Å
15I92.1Very high92Very high40 Ų4037.5 Ų37.521%0.20521%0.213CC..Hα-helixtrans-70.7-41.4-178.7-66.4168.8000111.4L11 A12 K13 H17 A18 A19 L98 I108 L112L11-I15 HydrophobicContact CD1-CD1 3.85Å; L11-I15 HydrophobicContact CD1-CG1 4.28Å; L11-I15 HydrophobicContact CG-CD1 3.95Å; L11-I15 WeakPolarHBondContact O-CG1 3.47Å; L11-I15 PolarHBondContact O-N 2.86Å; A12-I15 PolarHBondContact O-N 3.06Å; K13-I15 VanDerWaalsContact C-N 3.32Å; K13-I15 PolarHBondContact O-N 2.79Å; I15-H17 VanDerWaalsContact C-N 3.28Å; I15-H17 PolarHBondContact O-N 3.43Å; I15-A18 PolarHBondContact O-N 3.32Å; I15-A19 WeakPolarHBondContact O-CB 3.01Å; I15-A19 PolarHBondContact O-N 2.93Å; I15-L98 HydrophobicContact CD1-CD1 3.96Å; I15-I108 HydrophobicContact CB-CG2 4.22Å; I15-I108 HydrophobicContact CD1-CD1 3.62Å; I15-I108 HydrophobicContact CD1-CG1 4.31Å; I15-I108 HydrophobicContact CD1-CG2 3.79Å; I15-I108 HydrophobicContact CG2-CG2 3.73Å; I15-L112 HydrophobicContact CG2-CD1 4.29Å; I15-L112 HydrophobicContact CG2-CD2 4.42Å
16L95.2Very high92.3Very high0 Ų035.9 Ų35.90%020%0.196CC..Hα-helixtrans-64.3-35.5176.8-69.3-178.6000111.4A12 K13 A19 K20 C111 L112 L116 Y117 L120 L143A12-L16 WeakPolarHBondContact O-CB 3.31Å; A12-L16 WeakPolarHBondContact O-CG 3.36Å; A12-L16 PolarHBondContact O-N 3.33Å; K13-L16 PolarHBondContact O-N 2.76Å; L16-A19 PolarHBondContact O-N 2.9Å; L16-K20 WeakPolarHBondContact O-CB 3Å; L16-K20 PolarHBondContact O-N 2.82Å; L16-C111 HydrophobicContact CD2-CB 4.17Å; L16-L112 HydrophobicContact CD2-CD2 3.9Å; L16-L112 HydrophobicContact CD2-CG 4.39Å; L16-L116 HydrophobicContact CD1-CB 4.03Å; L16-Y117 HydrophobicContact CD2-CD1 4.48Å; L16-Y117 VanDerWaalsContact O-CB 3.23Å; L16-Y117 WeakPolarHBondContact O-CB 3.35Å; L16-L120 HydrophobicContact CB-CD1 3.88Å; L16-L143 HydrophobicContact CD1-CD1 4.34Å; L16-L143 HydrophobicContact CD1-CD2 3.96Å
17H95.9Very high92.5Very high0 Ų032 Ų320%018%0.176CC..Hα-helixtrans-62.6-48.2175.1-170-168.9000111.1K13 V14 I15 A19 K20 Y21 N27 P48 Y85 L120 D122K13-H17 VanDerWaalsContact O-CB 3.26Å; K13-H17 WeakPolarHBondContact O-CB 3.47Å; K13-H17 PolarHBondContact O-N 3.09Å; V14-H17 PolarHBondContact O-N 2.94Å; I15-H17 VanDerWaalsContact C-N 3.28Å; I15-H17 PolarHBondContact O-N 3.43Å; H17-A19 VanDerWaalsContact C-N 3.32Å; H17-A19 PolarHBondContact O-N 3.48Å; H17-K20 WeakPolarHBondContact O-CB 3.45Å; H17-K20 PolarHBondContact O-N 3.24Å; H17-Y21 AromaticContact CD2-CD2 3.67Å; H17-Y21 AromaticContact CD2-CE2 3.83Å; H17-Y21 AromaticContact NE2-CD2 3.87Å; H17-Y21 AromaticContact NE2-CE2 3.9Å; H17-Y21 PolarHBondContact O-N 3.19Å; H17-N27 PolarHBondContact CE1-O 3.36Å; H17-N27 PolarHBondContact ND1-O 3.41Å; H17-P48 HydrophobicContact CB-CB 4.46Å; H17-Y85 AromaticContact ND1-CE2 4Å; H17-Y85 AromaticContact ND1-CZ 3.86Å; H17-Y85 PolarHBondContact ND1-OH 2.75Å; H17-L120 HydrophobicContact CB-CD1 4.38Å; H17-L120 HydrophobicContact CB-CD2 4.21Å; H17-D122 IonicContact NE2-OD2 3.83Å; H17-D122 PolarHBondContact NE2-OD2 2.84Å
18A92.5Very high92.7Very high34 Ų3430 Ų3028%0.28116%0.162SC..Hα-helixtrans-62.9-38.2175.300000112.3V14 I15 K20 Y21 P22 V26 A87V14-A18 PolarHBondContact O-N 3.19Å; I15-A18 PolarHBondContact O-N 3.32Å; A18-K20 VanDerWaalsContact C-N 3.33Å; A18-K20 PolarHBondContact O-N 2.89Å; A18-Y21 CarbonylContact O-C 3.51Å; A18-Y21 VanDerWaalsContact O-C 3.29Å; A18-Y21 PolarHBondContact O-N 3.22Å; A18-P22 WeakPolarHBondContact O-CA 3.18Å; A18-V26 HydrophobicContact CB-CG2 4Å; A18-A87 HydrophobicContact CB-CB 4.19Å
19A92.8Very high93Very high30 Ų3025.4 Ų25.425%0.24814%0.144CC..Hα-helixtrans-70-27.3176.700000113.5I15 L16 H17 L112 Y117I15-A19 WeakPolarHBondContact O-CB 3.01Å; I15-A19 PolarHBondContact O-N 2.93Å; L16-A19 PolarHBondContact O-N 2.9Å; H17-A19 VanDerWaalsContact C-N 3.32Å; H17-A19 PolarHBondContact O-N 3.48Å; A19-L112 HydrophobicContact CB-CD2 3.44Å; A19-L112 VanDerWaalsContact CB-CD2 3.44Å; A19-Y117 HydrophobicContact CB-CD1 4.2Å; A19-Y117 HydrophobicContact CB-CG 4.2Å
20K95.9Very high93.1Very high49 Ų4926 Ų2621%0.21315%0.148CC..Hα-helixtrans-70.7-40.7175.3-168.7-178.8178.7-163.80111.2L16 H17 A18 P22 Y117 L120 D125L16-K20 WeakPolarHBondContact O-CB 3Å; L16-K20 PolarHBondContact O-N 2.82Å; H17-K20 WeakPolarHBondContact O-CB 3.45Å; H17-K20 PolarHBondContact O-N 3.24Å; A18-K20 VanDerWaalsContact C-N 3.33Å; A18-K20 PolarHBondContact O-N 2.89Å; K20-P22 VanDerWaalsContact C-CD 3.42Å; K20-P22 WeakPolarHBondContact O-CD 3.38Å; K20-Y117 HydrophobicContact CB-CD2 4.29Å; K20-Y117 VanDerWaalsContact CD-O 3.26Å; K20-Y117 WeakPolarHBondContact CD-O 3.39Å; K20-Y117 WeakPolarHBondContact CG-O 3.45Å; K20-L120 HydrophobicContact CD-CB 4.5Å; K20-L120 HydrophobicContact CD-CD2 4.15Å; K20-L120 WeakPolarHBondContact CE-O 3.32Å; K20-L120 PolarHBondContact NZ-O 2.83Å; K20-D125 IonicContact NZ-OD1 3.89Å; K20-D125 IonicContact NZ-OD2 2.65Å; K20-D125 PolarHBondContact NZ-OD2 3.23Å
21Y93.8Very high93.2Very high22 Ų2226 Ų269%0.08615%0.148CC..  trans-122.866.8-179.1-50-77.5000112.3H17 A18 H23 C24 V26 H51 D122 D125H17-Y21 AromaticContact CD2-CD2 3.67Å; H17-Y21 AromaticContact CD2-CE2 3.83Å; H17-Y21 AromaticContact NE2-CD2 3.87Å; H17-Y21 AromaticContact NE2-CE2 3.9Å; H17-Y21 PolarHBondContact O-N 3.19Å; A18-Y21 CarbonylContact O-C 3.51Å; A18-Y21 VanDerWaalsContact O-C 3.29Å; A18-Y21 PolarHBondContact O-N 3.22Å; Y21-H23 PolarHBondContact O-N 2.57Å; Y21-H23 VanDerWaalsContact O-N 3.07Å; Y21-C24 PolarHBondContact O-N 3.4Å; Y21-C24 VanDerWaalsContact O-O 3.11Å; Y21-V26 HydrophobicContact CD2-CG1 3.94Å; Y21-V26 HydrophobicContact CG-CG1 4.32Å; Y21-H51 HydrophobicContact CD1-CB 4.03Å; Y21-H51 AromaticContact CD1-CD2 3.45Å; Y21-H51 VanDerWaalsContact CD1-CD2 3.45Å; Y21-H51 WeakPolarHBondContact CD1-CD2 3.15Å; Y21-H51 AromaticContact CD1-CG 3.78Å; Y21-H51 HydrophobicContact CD2-CB 3.47Å; Y21-H51 VanDerWaalsContact CD2-CB 3.47Å; Y21-H51 AromaticContact CD2-CG 3.82Å; Y21-H51 HydrophobicContact CE1-CB 4.26Å; Y21-H51 AromaticContact CE1-CD2 3.24Å; Y21-H51 WeakPolarHBondContact CE1-CD2 3.3Å; Y21-H51 AromaticContact CE1-CE1 3.76Å; Y21-H51 AromaticContact CE1-CG 3.58Å; Y21-H51 AromaticContact CE1-ND1 3.88Å; Y21-H51 AromaticContact CE1-NE2 3.41Å; Y21-H51 WeakPolarHBondContact CE1-NE2 3.46Å; Y21-H51 HydrophobicContact CE2-CB 3.74Å; Y21-H51 AromaticContact CE2-CG 3.62Å; Y21-H51 AromaticContact CE2-ND1 3.66Å; Y21-H51 HydrophobicContact CG-CB 3.63Å; Y21-H51 AromaticContact CG-CG 3.89Å; Y21-H51 AromaticContact CZ-CD2 3.63Å; Y21-H51 AromaticContact CZ-CE1 3.5Å; Y21-H51 AromaticContact CZ-CG 3.5Å; Y21-H51 VanDerWaalsContact CZ-CG 3.5Å; Y21-H51 AromaticContact CZ-ND1 3.41Å; Y21-H51 AromaticContact CZ-NE2 3.68Å; Y21-H51 PolarHBondContact OH-CE1 2.7Å; Y21-D122 VanDerWaalsContact CE2-OD2 3.27Å; Y21-D122 WeakPolarHBondContact CE2-OD2 3.42Å; Y21-D125 PolarHBondContact OH-OD1 3.33Å; Y21-D125 VanDerWaalsContact OH-OD1 3.12Å; Y21-D125 PolarHBondContact OH-OD2 3.48Å
22P89.7Confident93.4Very high103 Ų10325.1 Ų25.167%0.66914%0.143SC*.THydrogen-bonded Turntrans-71.9-5.4-174.530.9-37.7000114.1A18 K20A18-P22 WeakPolarHBondContact O-CA 3.18Å; K20-P22 VanDerWaalsContact C-CD 3.42Å; K20-P22 WeakPolarHBondContact O-CD 3.38Å
23H88.8Confident93.3Very high141 Ų14128.3 Ų28.365%0.65316%0.158SC*.THydrogen-bonded Turntrans-101.3-1.2-174.462.9-83.6000113Y21Y21-H23 PolarHBondContact O-N 2.57Å; Y21-H23 VanDerWaalsContact O-N 3.07Å
24C90Very high93Very high23 Ų2334.5 Ų34.516%0.15518%0.184CC..SBendtrans-147.7167.6-179.663.90000110.5Y21 H51 E89Y21-C24 PolarHBondContact O-N 3.4Å; Y21-C24 VanDerWaalsContact O-O 3.11Å; C24-H51 PolarHBondContact SG-O 2.93Å; C24-E89 WeakPolarHBondContact CA-OE2 3.26Å
25C90.5Very high92.4Very high18 Ų1835.1 Ų35.112%0.12219%0.193CC..  trans-67.3143.9171.9-170.20000109.8Q54 Q86 A87 E89C25-Q54 PolarHBondContact O-NE2 3.09Å; C25-Q54 PolarHBondContact SG-NE2 2.87Å; C25-Q54 PolarHBondContact SG-OE1 3.36Å; C25-Q86 VanDerWaalsContact SG-CG 3.58Å; C25-Q86 PolarHBondContact SG-NE2 3.38Å; C25-Q86 VanDerWaalsContact SG-NE2 3.36Å; C25-A87 WeakPolarHBondContact CA-O 3.43Å; C25-A87 PolarHBondContact SG-O 2.79Å; C25-E89 PolarHBondContact N-OE2 3.22Å
26V93.8Very high91.4Very high1 Ų142.9 Ų42.91%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-125.1152.5170.1-630000111.9A18 Y21 L50 H51 Q86 A87A18-V26 HydrophobicContact CB-CG2 4Å; Y21-V26 HydrophobicContact CD2-CG1 3.94Å; Y21-V26 HydrophobicContact CG-CG1 4.32Å; V26-L50 WeakPolarHBondContact CA-O 3.34Å; V26-H51 HydrophobicContact CG1-CB 4.11Å; V26-Q86 WeakPolarHBondContact O-CA 3.32Å; V26-A87 HydrophobicContact CG2-CB 3.71Å; V26-A87 PolarHBondContact N-O 3.17Å; V26-A87 PolarHBondContact O-N 2.82Å
27N93.2Very high90.2Very high0 Ų052.4 Ų52.40%027%0.27CS..EExtended strand (participates in β ladder)trans-144169177.968.624.1000114H17 L49 L50 Y84 Y85 Q86H17-N27 PolarHBondContact CE1-O 3.36Å; H17-N27 PolarHBondContact ND1-O 3.41Å; N27-L49 PolarHBondContact O-N 2.89Å; N27-L49 WeakPolarHBondContact OD1-CB 3.26Å; N27-L50 PolarHBondContact N-O 2.98Å; N27-L50 WeakPolarHBondContact OD1-CB 3.36Å; N27-L50 PolarHBondContact OD1-N 2.79Å; N27-Y84 HydrophobicContact CB-CE2 3.83Å; N27-Y84 WeakPolarHBondContact CB-OH 3.4Å; N27-Y84 PolarHBondContact ND2-OH 2.93Å; N27-Y85 VanDerWaalsContact CA-O 3.29Å; N27-Y85 WeakPolarHBondContact CA-O 3.45Å; N27-Y85 WeakPolarHBondContact CB-O 3.41Å; N27-Q86 HydrophobicContact CB-CB 4.45Å; N27-Q86 HydrophobicContact CB-CG 4.48Å
28G95Very high89Confident0 Ų053.9 Ų53.90%029%0.285CS..EExtended strand (participates in β ladder)trans-178.3178.2171.500000115.9V47 Y84 Y85G28-V47 CarbonylContact C-O 3.29Å; G28-V47 VanDerWaalsContact CA-O 3.22Å; G28-V47 WeakPolarHBondContact CA-O 3.25Å; G28-Y84 WeakPolarHBondContact O-CA 3.23Å; G28-Y84 VanDerWaalsContact O-CD2 3.3Å; G28-Y84 WeakPolarHBondContact O-CD2 3.28Å; G28-Y85 VanDerWaalsContact C-CE1 3.45Å; G28-Y85 PolarHBondContact N-O 3.38Å; G28-Y85 VanDerWaalsContact O-CD1 3.28Å; G28-Y85 WeakPolarHBondContact O-CD1 2.98Å; G28-Y85 PolarHBondContact O-N 3.37Å
29F95.6Very high88.5Confident13 Ų1360.8 Ų60.86%0.05730%0.304CS..EExtended strand (participates in β ladder)trans-94.1145.2178.3-64.5-41.5000111.6I31 A46 V47 L49 T60 A63 L64 V67 I81 Y84F29-I31 HydrophobicContact CB-CD1 4.2Å; F29-A46 CarbonylContact O-C 2.98Å; F29-A46 VanDerWaalsContact O-CA 3.3Å; F29-A46 WeakPolarHBondContact O-CA 3.26Å; F29-V47 PolarHBondContact N-O 3.06Å; F29-V47 PolarHBondContact O-N 3.36Å; F29-L49 HydrophobicContact CD1-CD1 4.01Å; F29-L49 HydrophobicContact CD2-CD1 3.56Å; F29-L49 HydrophobicContact CD2-CD2 4.12Å; F29-L49 HydrophobicContact CD2-CG 4.23Å; F29-L49 HydrophobicContact CE1-CD1 3.85Å; F29-L49 HydrophobicContact CE2-CD1 3.37Å; F29-L49 HydrophobicContact CE2-CD2 4.21Å; F29-L49 HydrophobicContact CE2-CG 4.35Å; F29-L49 HydrophobicContact CG-CD1 3.85Å; F29-L49 HydrophobicContact CZ-CD1 3.52Å; F29-T60 HydrophobicContact CZ-CG2 4.34Å; F29-A63 HydrophobicContact CE2-CB 4.13Å; F29-L64 HydrophobicContact CE1-CD1 4.34Å; F29-L64 HydrophobicContact CE2-CB 4.13Å; F29-L64 HydrophobicContact CE2-CD1 4.17Å; F29-L64 HydrophobicContact CZ-CB 3.92Å; F29-L64 HydrophobicContact CZ-CD1 3.87Å; F29-V67 HydrophobicContact CD2-CB 4.22Å; F29-V67 HydrophobicContact CD2-CG1 4.24Å; F29-V67 HydrophobicContact CD2-CG2 4.17Å; F29-I81 HydrophobicContact CB-CG2 4.11Å; F29-I81 HydrophobicContact CD1-CG2 4.11Å; F29-I81 HydrophobicContact CD2-CD1 4.08Å; F29-I81 HydrophobicContact CE2-CD1 4.42Å; F29-I81 HydrophobicContact CG-CD1 4.38Å; F29-I81 HydrophobicContact CG-CG2 4.11Å; F29-Y84 HydrophobicContact CD1-CD2 4.05Å; F29-Y84 HydrophobicContact CE1-CD2 4.04Å
30L95.7Very high88.2Confident23 Ų2367 Ų6712%0.1232%0.321CS..EExtended strand (participates in β ladder)trans-99.6123.7170.5-60.5174.6000108V14 I43 A46 V82 G83 Y85V14-L30 HydrophobicContact CG2-CD2 4.25Å; L30-I43 HydrophobicContact CB-CG1 4.37Å; L30-I43 HydrophobicContact CB-CG2 4Å; L30-I43 HydrophobicContact CD1-CD1 4Å; L30-I43 HydrophobicContact CD2-CG2 4.2Å; L30-A46 HydrophobicContact CD2-CB 3.91Å; L30-V82 HydrophobicContact CB-CG2 4.25Å; L30-V82 VanDerWaalsContact O-CG2 3.31Å; L30-V82 WeakPolarHBondContact O-CG2 3.44Å; L30-V82 PolarHBondContact O-N 2.9Å; L30-G83 PolarHBondContact N-O 3.18Å; L30-G83 PolarHBondContact O-N 3.4Å; L30-Y85 HydrophobicContact CD2-CD1 3.78Å; L30-Y85 HydrophobicContact CG-CD1 4.22Å
31I95.3Very high88Confident0 Ų065.9 Ų65.90%032%0.318CS..EExtended strand (participates in β ladder)trans-104.5136.6-177.3-50.8-56.5000109F29 I43 V44 D45 V47 V67 L79 Q80 I81 W135F29-I31 HydrophobicContact CB-CD1 4.2Å; I31-I43 CarbonylContact O-C 3.6Å; I31-I43 WeakPolarHBondContact O-CA 3.32Å; I31-V44 PolarHBondContact O-N 3.27Å; I31-D45 HydrophobicContact CB-CB 4.45Å; I31-D45 PolarHBondContact N-O 3.29Å; I31-D45 PolarHBondContact O-N 2.88Å; I31-D45 VanDerWaalsContact O-N 3.17Å; I31-D45 VanDerWaalsContact O-O 3.11Å; I31-V47 HydrophobicContact CD1-CG2 4.11Å; I31-V47 HydrophobicContact CG1-CG2 3.6Å; I31-V67 HydrophobicContact CD1-CG1 3.66Å; I31-L79 HydrophobicContact CG2-CB 3.83Å; I31-L79 HydrophobicContact CG2-CD1 4.34Å; I31-L79 HydrophobicContact CG2-CD2 4.11Å; I31-L79 HydrophobicContact CG2-CG 4.29Å; I31-Q80 WeakPolarHBondContact CA-O 3.45Å; I31-I81 HydrophobicContact CD1-CB 4.43Å; I31-I81 HydrophobicContact CD1-CG1 3.71Å; I31-W135 HydrophobicContact CG1-CZ3 4.23Å
32G94.1Very high87.9Confident0 Ų073 Ų730%035%0.345CS..EExtended strand (participates in β ladder)trans-172.8-171.7-171.700000114.3R42 Q80G32-R42 CarbonylContact C-O 3.45Å; G32-R42 WeakPolarHBondContact CA-O 3.35Å; G32-Q80 PolarHBondContact N-O 3Å; G32-Q80 PolarHBondContact O-N 2.73Å
33H91.6Very high88.1Confident68 Ų6868.7 Ų68.732%0.31532%0.316SS..EExtended strand (participates in β ladder)trans-109.8133.5177-53.483.6000109.1V41 R42 S77H33-V41 WeakPolarHBondContact O-CA 3.12Å; H33-R42 PolarHBondContact N-O 3.44Å; H33-R42 PolarHBondContact O-N 2.93Å; H33-S77 PolarHBondContact CD2-O 3.02Å; H33-S77 PolarHBondContact NE2-O 3.23Å
34K88.1Confident88.3Confident129 Ų12963.7 Ų63.756%0.56130%0.295SS*.EExtended strand (participates in β ladder)trans-102.6115.4169.6-170.4176.6-178.3178.70108.8
35A81.7Confident88.5Confident44 Ų4463.5 Ų63.536%0.36429%0.292SS..  trans-65.4146.4172.500000110.1K37 G38 R40A35-K37 PolarHBondContact O-N 3.1Å; A35-G38 PolarHBondContact O-N 3.26Å; A35-R40 HydrophobicContact CB-CB 4.05Å; A35-R40 WeakPolarHBondContact CB-O 3.38Å; A35-R40 PolarHBondContact N-O 3.31Å
36E70.3Confident88.8Confident203 Ų20362.6 Ų62.695%0.94929%0.287SS*.THydrogen-bonded Turntrans-50.5-31.9-168.2-68.2-166.9159.600115.3G38E36-G38 VanDerWaalsContact C-N 3.33Å; E36-G38 PolarHBondContact O-N 3.24Å
37K70.9Confident88.9Confident199 Ų19962.6 Ų62.687%0.86529%0.286SS*.THydrogen-bonded Turntrans-90.412.1180-67.8-172.6176.81800114.5A35 R39A35-K37 PolarHBondContact O-N 3.1Å; K37-R39 PolarHBondContact O-N 2.98Å
38G69.2Low89.1Confident31 Ų3162.6 Ų62.632%0.3229%0.286SS..SBendtrans60.25.5-178.400000114.8A2 A35 E36A2-G38 WeakPolarHBondContact CB-O 3.49Å; A35-G38 PolarHBondContact O-N 3.26Å; E36-G38 VanDerWaalsContact C-N 3.33Å; E36-G38 PolarHBondContact O-N 3.24Å
39R82.5Confident89.1Confident180 Ų18062.6 Ų62.668%0.67929%0.286SS*.SBendtrans-87.1-18.6-172-167.5172.2177.8155.2-0.7112.7A2 E3 K37A2-R39 CarbonylContact C-O 3.44Å; A2-R39 WeakPolarHBondContact CA-O 3.22Å; A2-R39 WeakPolarHBondContact CB-O 3.34Å; E3-R39 PolarHBondContact N-O 2.98Å; K37-R39 PolarHBondContact O-N 2.98Å
40R86.1Confident89Confident160 Ų16062 Ų6260%0.60428%0.284SS*.EExtended strand (participates in β ladder)trans-133.5125.8178.1-64.7-167.2-77.7-159.8-3.1109.7E3 A35E3-R40 HydrophobicContact CB-CG 4.21Å; E3-R40 WeakPolarHBondContact O-CA 3.49Å; E3-R40 WeakPolarHBondContact OE2-CD 3.03Å; A35-R40 HydrophobicContact CB-CB 4.05Å; A35-R40 WeakPolarHBondContact CB-O 3.38Å; A35-R40 PolarHBondContact N-O 3.31Å
41V91.2Very high88.8Confident25 Ų2561.9 Ų61.915%0.15228%0.283CS..EExtended strand (participates in β ladder)trans-121.1123.6176.1177.80000106.9E3 V4 G5 H33 V82E3-V41 PolarHBondContact O-N 2.64Å; V4-V41 CarbonylContact C-O 3.58Å; V4-V41 WeakPolarHBondContact CA-O 3.38Å; G5-V41 PolarHBondContact N-O 3.27Å; H33-V41 WeakPolarHBondContact O-CA 3.12Å; V41-V82 HydrophobicContact CG1-CB 3.62Å; V41-V82 HydrophobicContact CG1-CG1 3.96Å; V41-V82 HydrophobicContact CG1-CG2 3.88Å
42R92Very high88.3Confident172 Ų17266.7 Ų66.765%0.64930%0.301SS*.EExtended strand (participates in β ladder)trans-113.5106.9175.8-174.7-178.8-178-172.10.4108.8G32 H33 V44G32-R42 CarbonylContact C-O 3.45Å; G32-R42 WeakPolarHBondContact CA-O 3.35Å; H33-R42 PolarHBondContact N-O 3.44Å; H33-R42 PolarHBondContact O-N 2.93Å; R42-V44 HydrophobicContact CG-CG1 4.22Å
43I93.6Very high87.2Confident13 Ų1371.3 Ų71.37%0.06732%0.318CS..EExtended strand (participates in β ladder)trans-77121.3172.4-57.2155.3000107.2V4 G5 L6 S7 A10 L30 I31 V82V4-I43 HydrophobicContact CG1-CD1 3.74Å; V4-I43 HydrophobicContact CG1-CG1 4.49Å; G5-I43 PolarHBondContact O-N 2.88Å; L6-I43 HydrophobicContact CD1-CB 3.99Å; L6-I43 HydrophobicContact CD1-CD1 3.85Å; L6-I43 HydrophobicContact CD1-CG2 3.79Å; S7-I43 VanDerWaalsContact CB-O 3.22Å; S7-I43 WeakPolarHBondContact CB-O 3.28Å; S7-I43 PolarHBondContact N-O 2.9Å; A10-I43 HydrophobicContact CB-CG2 3.63Å; L30-I43 HydrophobicContact CB-CG1 4.37Å; L30-I43 HydrophobicContact CB-CG2 4Å; L30-I43 HydrophobicContact CD1-CD1 4Å; L30-I43 HydrophobicContact CD2-CG2 4.2Å; I31-I43 CarbonylContact O-C 3.6Å; I31-I43 WeakPolarHBondContact O-CA 3.32Å; I43-V82 HydrophobicContact CG1-CG2 3.77Å
44V93.5Very high86.1Confident35 Ų3570 Ų7021%0.21231%0.312CS..EExtended strand (participates in β ladder)trans-105.8-34.7-178.7-59.90000112S7 I31 R42 L79S7-V44 WeakPolarHBondContact CB-O 3.46Å; S7-V44 PolarHBondContact OG-O 2.83Å; I31-V44 PolarHBondContact O-N 3.27Å; R42-V44 HydrophobicContact CG-CG1 4.22Å; V44-L79 HydrophobicContact CG2-CD2 3.53Å
45D95Very high85.1Confident19 Ų1970.5 Ų70.510%0.10233%0.326CS..EExtended strand (participates in β ladder)trans-144.5164.6-178.3-159.8-4000110.5L9 K13 I31 N140L9-D45 HydrophobicContact CD2-CB 4.05Å; L9-D45 VanDerWaalsContact CD2-CG 3.42Å; L9-D45 WeakPolarHBondContact CD2-OD1 3.46Å; K13-D45 VanDerWaalsContact CD-OD1 3.28Å; K13-D45 WeakPolarHBondContact CD-OD1 3.31Å; K13-D45 WeakPolarHBondContact CE-OD1 3.41Å; K13-D45 IonicContact NZ-OD1 3.99Å; K13-D45 PolarHBondContact NZ-OD1 3.33Å; K13-D45 IonicContact NZ-OD2 3.59Å; K13-D45 PolarHBondContact NZ-OD2 2.92Å; I31-D45 HydrophobicContact CB-CB 4.45Å; I31-D45 PolarHBondContact N-O 3.29Å; I31-D45 PolarHBondContact O-N 2.88Å; I31-D45 VanDerWaalsContact O-N 3.17Å; I31-D45 VanDerWaalsContact O-O 3.11Å; D45-N140 PolarHBondContact OD2-ND2 3.34Å
46A96Very high84.4Confident0 Ų072.9 Ų72.90%033%0.332CS..EExtended strand (participates in β ladder)trans-124.7142.717000000109.8A10 K13 V14 F29 L30 Y85A10-A46 HydrophobicContact CB-CB 4.2Å; K13-A46 HydrophobicContact CB-CB 4.13Å; K13-A46 WeakPolarHBondContact CD-O 3.28Å; K13-A46 PolarHBondContact NZ-O 2.92Å; V14-A46 HydrophobicContact CG2-CB 4.05Å; F29-A46 CarbonylContact O-C 2.98Å; F29-A46 VanDerWaalsContact O-CA 3.3Å; F29-A46 WeakPolarHBondContact O-CA 3.26Å; L30-A46 HydrophobicContact CD2-CB 3.91Å; A46-Y85 HydrophobicContact CB-CE1 4.14Å
47V97Very high84.7Confident0 Ų067.4 Ų67.40%031%0.312CS..EExtended strand (participates in β ladder)trans-110107.5176.1178.50000107.8G28 F29 I31 L49 V67 F134 W135G28-V47 CarbonylContact C-O 3.29Å; G28-V47 VanDerWaalsContact CA-O 3.22Å; G28-V47 WeakPolarHBondContact CA-O 3.25Å; F29-V47 PolarHBondContact N-O 3.06Å; F29-V47 PolarHBondContact O-N 3.36Å; I31-V47 HydrophobicContact CD1-CG2 4.11Å; I31-V47 HydrophobicContact CG1-CG2 3.6Å; V47-L49 HydrophobicContact CG1-CD2 4.06Å; V47-V67 HydrophobicContact CG1-CG2 4.05Å; V47-F134 HydrophobicContact CG1-CD2 3.51Å; V47-F134 HydrophobicContact CG1-CE2 3.67Å; V47-W135 HydrophobicContact CG2-CD2 4.48Å; V47-W135 HydrophobicContact CG2-CE3 3.83Å; V47-W135 HydrophobicContact CG2-CH2 4.06Å; V47-W135 HydrophobicContact CG2-CZ3 3.61Å
48P97.1Very high85.4Confident0 Ų061.2 Ų61.20%029%0.293CS..EExtended strand (participates in β ladder)trans-62.8131.4173.2-20.234000111H17 Y85 L120 D122 F123H17-P48 HydrophobicContact CB-CB 4.46Å; P48-Y85 WeakPolarHBondContact CA-OH 2.69Å; P48-L120 HydrophobicContact CB-CD2 3.99Å; P48-L120 HydrophobicContact CG-CD1 3.94Å; P48-L120 HydrophobicContact CG-CD2 3.94Å; P48-L120 HydrophobicContact CG-CG 4.09Å; P48-D122 HydrophobicContact CB-CB 3.66Å; P48-F123 PolarHBondContact O-N 2.98Å; P48-F123 VanDerWaalsContact O-N 3.14Å
49L94.7Very high86.2Confident0 Ų062.3 Ų62.30%029%0.29CS..  trans-111.2-84.1-176.6-63.6179.2000112.5N27 F29 V47 A63 F123 D124N27-L49 PolarHBondContact O-N 2.89Å; N27-L49 WeakPolarHBondContact OD1-CB 3.26Å; F29-L49 HydrophobicContact CD1-CD1 4.01Å; F29-L49 HydrophobicContact CD2-CD1 3.56Å; F29-L49 HydrophobicContact CD2-CD2 4.12Å; F29-L49 HydrophobicContact CD2-CG 4.23Å; F29-L49 HydrophobicContact CE1-CD1 3.85Å; F29-L49 HydrophobicContact CE2-CD1 3.37Å; F29-L49 HydrophobicContact CE2-CD2 4.21Å; F29-L49 HydrophobicContact CE2-CG 4.35Å; F29-L49 HydrophobicContact CG-CD1 3.85Å; F29-L49 HydrophobicContact CZ-CD1 3.52Å; V47-L49 HydrophobicContact CG1-CD2 4.06Å; L49-A63 HydrophobicContact CD1-CB 4.2Å; L49-A63 HydrophobicContact CD2-CB 3.62Å; L49-A63 HydrophobicContact CG-CB 4.45Å; L49-F123 HydrophobicContact CB-CB 4.29Å; L49-F123 HydrophobicContact CD2-CB 3.86Å; L49-F123 HydrophobicContact CD2-CG 4.26Å; L49-F123 WeakPolarHBondContact O-CA 3.34Å; L49-F123 VanDerWaalsContact O-CB 3.23Å; L49-F123 WeakPolarHBondContact O-CB 3.49Å; L49-F123 PolarHBondContact O-N 2.96Å; L49-D124 PolarHBondContact O-N 3.07Å
50L92.5Very high86.4Confident0 Ų055.4 Ų55.40%027%0.268CS..  trans-120137-164.9-47.9175.9000111.1V26 N27 Q54 M59 T60 F123 D124V26-L50 WeakPolarHBondContact CA-O 3.34Å; N27-L50 PolarHBondContact N-O 2.98Å; N27-L50 WeakPolarHBondContact OD1-CB 3.36Å; N27-L50 PolarHBondContact OD1-N 2.79Å; L50-Q54 HydrophobicContact CB-CG 4.49Å; L50-Q54 PolarHBondContact O-NE2 3.43Å; L50-M59 HydrophobicContact CD1-CB 4.2Å; L50-M59 HydrophobicContact CD2-CB 4.06Å; L50-T60 WeakPolarHBondContact CD1-OG1 3.29Å; L50-F123 HydrophobicContact CD2-CD1 4.22Å; L50-D124 WeakPolarHBondContact CA-OD2 3.43Å; L50-D124 VanDerWaalsContact CD2-OD1 3.24Å; L50-D124 WeakPolarHBondContact CD2-OD1 3.33Å
51H93Very high86.6Confident22 Ų2253 Ų5310%0.10226%0.263CS..SBendtrans-118.7-8.816868.3-83.7000112.3Y21 C24 V26 D122 D124 D125Y21-H51 HydrophobicContact CD1-CB 4.03Å; Y21-H51 AromaticContact CD1-CD2 3.45Å; Y21-H51 VanDerWaalsContact CD1-CD2 3.45Å; Y21-H51 WeakPolarHBondContact CD1-CD2 3.15Å; Y21-H51 AromaticContact CD1-CG 3.78Å; Y21-H51 HydrophobicContact CD2-CB 3.47Å; Y21-H51 VanDerWaalsContact CD2-CB 3.47Å; Y21-H51 AromaticContact CD2-CG 3.82Å; Y21-H51 HydrophobicContact CE1-CB 4.26Å; Y21-H51 AromaticContact CE1-CD2 3.24Å; Y21-H51 WeakPolarHBondContact CE1-CD2 3.3Å; Y21-H51 AromaticContact CE1-CE1 3.76Å; Y21-H51 AromaticContact CE1-CG 3.58Å; Y21-H51 AromaticContact CE1-ND1 3.88Å; Y21-H51 AromaticContact CE1-NE2 3.41Å; Y21-H51 WeakPolarHBondContact CE1-NE2 3.46Å; Y21-H51 HydrophobicContact CE2-CB 3.74Å; Y21-H51 AromaticContact CE2-CG 3.62Å; Y21-H51 AromaticContact CE2-ND1 3.66Å; Y21-H51 HydrophobicContact CG-CB 3.63Å; Y21-H51 AromaticContact CG-CG 3.89Å; Y21-H51 AromaticContact CZ-CD2 3.63Å; Y21-H51 AromaticContact CZ-CE1 3.5Å; Y21-H51 AromaticContact CZ-CG 3.5Å; Y21-H51 VanDerWaalsContact CZ-CG 3.5Å; Y21-H51 AromaticContact CZ-ND1 3.41Å; Y21-H51 AromaticContact CZ-NE2 3.68Å; Y21-H51 PolarHBondContact OH-CE1 2.7Å; C24-H51 PolarHBondContact SG-O 2.93Å; V26-H51 HydrophobicContact CG1-CB 4.11Å; H51-D122 IonicContact CE1-OD1 3.5Å; H51-D122 IonicContact CE1-OD2 3.18Å; H51-D122 IonicContact CG-OD2 2.66Å; H51-D122 IonicContact ND1-OD1 3.58Å; H51-D122 IonicContact ND1-OD2 2.79Å; H51-D122 PolarHBondContact ND1-OD2 3.03Å; H51-D124 IonicContact CG-OD2 3.28Å; H51-D124 PolarHBondContact N-OD2 3.44Å; H51-D124 WeakPolarHBondContact ND1-CB 3.23Å; H51-D124 IonicContact ND1-OD2 3.53Å; H51-D125 IonicContact CE1-OD1 2.71Å
52R83.1Confident86.6Confident100 Ų10054.8 Ų54.838%0.37727%0.272SS..SBendtrans-119.8-43.7-177.7-61.2-179.2-69.3-179.6-3.3113.6D124 E128R52-D124 PolarHBondContact N-OD2 2.66Å; R52-D124 PolarHBondContact NH2-O 3.2Å; R52-E128 IonicContact CZ-OE1 3.14Å; R52-E128 IonicContact NH1-OE1 2.62Å; R52-E128 PolarHBondContact NH1-OE1 3.06Å; R52-E128 VanDerWaalsContact NH2-CD 3.25Å; R52-E128 IonicContact NH2-OE1 2.79Å; R52-E128 PolarHBondContact NH2-OE1 3.21Å
53W72.1Confident86.7Confident98 Ų9846.6 Ų46.637%0.37124%0.241SC..  trans-108.735.9-167.1-62.8-35.4000114.2V55 L56 M59 D124 L127W53-V55 PolarHBondContact O-N 3.4Å; W53-V55 VanDerWaalsContact O-N 3.11Å; W53-L56 HydrophobicContact CB-CB 4.35Å; W53-L56 HydrophobicContact CB-CD1 4.23Å; W53-L56 HydrophobicContact CG-CD1 4.19Å; W53-L56 PolarHBondContact O-N 3.14Å; W53-M59 HydrophobicContact CB-CG 4.4Å; W53-M59 HydrophobicContact CD2-CG 4.46Å; W53-M59 HydrophobicContact CE3-CG 3.76Å; W53-M59 HydrophobicContact CE3-SD 4.26Å; W53-M59 HydrophobicContact CZ3-CG 4.42Å; W53-M59 HydrophobicContact CZ3-SD 4.33Å; W53-D124 VanDerWaalsContact CE3-OD1 3.26Å; W53-L127 HydrophobicContact CE3-CD1 4.36Å; W53-L127 HydrophobicContact CZ3-CD1 3.94Å
54Q67.6Low86.6Confident40 Ų4049.9 Ų49.919%0.18726%0.258CS..THydrogen-bonded Turntrans-54.9-34.1-176.6-65.4-137.33.100115.2C25 L50 L56C25-Q54 PolarHBondContact O-NE2 3.09Å; C25-Q54 PolarHBondContact SG-NE2 2.87Å; C25-Q54 PolarHBondContact SG-OE1 3.36Å; L50-Q54 HydrophobicContact CB-CG 4.49Å; L50-Q54 PolarHBondContact O-NE2 3.43Å; Q54-L56 VanDerWaalsContact C-N 3.31Å
55V67.1Low86.7Confident140 Ų14053.3 Ų53.385%0.84828%0.275SS*.THydrogen-bonded Turntrans-84-10.7-175.7-167.90000111.7W53W53-V55 PolarHBondContact O-N 3.4Å; W53-V55 VanDerWaalsContact O-N 3.11Å
56L67.4Low86.6Confident94 Ų9455.9 Ų55.949%0.49229%0.286SS..  trans-95.1103.1179.5-62.8179.5000109.9W53 Q54 P58 M59W53-L56 HydrophobicContact CB-CB 4.35Å; W53-L56 HydrophobicContact CB-CD1 4.23Å; W53-L56 HydrophobicContact CG-CD1 4.19Å; W53-L56 PolarHBondContact O-N 3.14Å; Q54-L56 VanDerWaalsContact C-N 3.31Å; L56-P58 VanDerWaalsContact C-N 3.26Å; L56-M59 PolarHBondContact O-N 3.26Å
57T77Confident86.5Confident87 Ų8755.9 Ų55.953%0.53429%0.286SS..Hα-helixtrans-53.5-32.3174.869.90000114.7M59 T60 E61T57-M59 VanDerWaalsContact C-N 3.27Å; T57-M59 PolarHBondContact O-N 3.46Å; T57-T60 PolarHBondContact O-N 3.43Å; T57-E61 WeakPolarHBondContact CB-OE1 3.28Å; T57-E61 WeakPolarHBondContact O-CB 3.37Å; T57-E61 VanDerWaalsContact O-CG 3.28Å; T57-E61 WeakPolarHBondContact O-CG 3.21Å; T57-E61 PolarHBondContact O-N 3.28Å; T57-E61 PolarHBondContact OG1-OE1 3.03Å; T57-E61 VanDerWaalsContact OG1-OE1 3.1Å
58P84.8Confident86.3Confident69 Ų6958.6 Ų58.645%0.44831%0.305SS..Hα-helixtrans-59.3-35.7-176.6-2735.7000114L56 L62L56-P58 VanDerWaalsContact C-N 3.26Å; P58-L62 WeakPolarHBondContact O-CB 3.28Å; P58-L62 PolarHBondContact O-N 3.08Å
59M86.7Confident86.1Confident55 Ų5561.5 Ų61.527%0.27132%0.322SS..Hα-helixtrans-76.4-39-179.1-62.2-59.1132.800111.3L50 W53 L56 T57 E61 L62 A63 L127L50-M59 HydrophobicContact CD1-CB 4.2Å; L50-M59 HydrophobicContact CD2-CB 4.06Å; W53-M59 HydrophobicContact CB-CG 4.4Å; W53-M59 HydrophobicContact CD2-CG 4.46Å; W53-M59 HydrophobicContact CE3-CG 3.76Å; W53-M59 HydrophobicContact CE3-SD 4.26Å; W53-M59 HydrophobicContact CZ3-CG 4.42Å; W53-M59 HydrophobicContact CZ3-SD 4.33Å; L56-M59 PolarHBondContact O-N 3.26Å; T57-M59 VanDerWaalsContact C-N 3.27Å; T57-M59 PolarHBondContact O-N 3.46Å; M59-E61 VanDerWaalsContact C-N 3.34Å; M59-L62 PolarHBondContact O-N 2.8Å; M59-A63 WeakPolarHBondContact O-CB 2.9Å; M59-A63 PolarHBondContact O-N 3.31Å; M59-L127 HydrophobicContact CG-CD1 4.46Å; M59-L127 HydrophobicContact SD-CD1 3.62Å
60T87.8Confident86Confident35 Ų3563.3 Ų63.322%0.21534%0.337CS..Hα-helixtrans-64.1-39.1172.2-56.10000111.7F29 L50 T57 L64F29-T60 HydrophobicContact CZ-CG2 4.34Å; L50-T60 WeakPolarHBondContact CD1-OG1 3.29Å; T57-T60 PolarHBondContact O-N 3.43Å; T60-L64 VanDerWaalsContact O-CB 3.28Å; T60-L64 WeakPolarHBondContact O-CB 3.27Å; T60-L64 PolarHBondContact O-N 3.25Å
61E90.3Very high85.9Confident108 Ų10863.7 Ų63.751%0.50534%0.34SS..Hα-helixtrans-65.2-44.5175.4-74.2168.2-151.100111.4T57 M59 L64 I65T57-E61 WeakPolarHBondContact CB-OE1 3.28Å; T57-E61 WeakPolarHBondContact O-CB 3.37Å; T57-E61 VanDerWaalsContact O-CG 3.28Å; T57-E61 WeakPolarHBondContact O-CG 3.21Å; T57-E61 PolarHBondContact O-N 3.28Å; T57-E61 PolarHBondContact OG1-OE1 3.03Å; T57-E61 VanDerWaalsContact OG1-OE1 3.1Å; M59-E61 VanDerWaalsContact C-N 3.34Å; E61-L64 WeakPolarHBondContact O-CB 3.22Å; E61-L64 PolarHBondContact O-N 2.58Å; E61-I65 VanDerWaalsContact O-CG1 3.31Å; E61-I65 WeakPolarHBondContact O-CG1 3.3Å; E61-I65 PolarHBondContact O-N 2.9Å
62L91.3Very high85.6Confident64 Ų6466.9 Ų66.934%0.33537%0.365SS..Hα-helixtrans-60.9-48.1175.6-177.370.2000111.3P58 M59 L64 I65 Q66 F123 L127P58-L62 WeakPolarHBondContact O-CB 3.28Å; P58-L62 PolarHBondContact O-N 3.08Å; M59-L62 PolarHBondContact O-N 2.8Å; L62-L64 VanDerWaalsContact C-N 3.3Å; L62-L64 PolarHBondContact O-N 3.06Å; L62-I65 PolarHBondContact O-N 2.92Å; L62-Q66 WeakPolarHBondContact O-CG 3.3Å; L62-Q66 PolarHBondContact O-N 3Å; L62-F123 HydrophobicContact CD2-CE1 4.2Å; L62-F123 HydrophobicContact CD2-CZ 4.15Å; L62-F123 HydrophobicContact CG-CE1 4.4Å; L62-F123 HydrophobicContact CG-CZ 4.21Å; L62-L127 HydrophobicContact CD2-CD2 3.85Å
63A92.4Very high85.8Confident0 Ų069.8 Ų69.80%038%0.381CS..Hα-helixtrans-57.8-44.2175.400000111.5F29 L49 M59 I65 Q66 V67 F123F29-A63 HydrophobicContact CE2-CB 4.13Å; L49-A63 HydrophobicContact CD1-CB 4.2Å; L49-A63 HydrophobicContact CD2-CB 3.62Å; L49-A63 HydrophobicContact CG-CB 4.45Å; M59-A63 WeakPolarHBondContact O-CB 2.9Å; M59-A63 PolarHBondContact O-N 3.31Å; A63-I65 VanDerWaalsContact C-N 3.34Å; A63-I65 PolarHBondContact O-N 3.34Å; A63-Q66 PolarHBondContact O-N 3.43Å; A63-V67 WeakPolarHBondContact O-CB 3.49Å; A63-V67 VanDerWaalsContact O-CG2 3.26Å; A63-V67 WeakPolarHBondContact O-CG2 3.26Å; A63-V67 PolarHBondContact O-N 3.03Å; A63-F123 HydrophobicContact CB-CD1 3.72Å; A63-F123 HydrophobicContact CB-CE1 3.71Å; A63-F123 HydrophobicContact CB-CG 4.19Å; A63-F123 HydrophobicContact CB-CZ 4.21Å
64L93Very high86.2Confident81 Ų8168.4 Ų68.442%0.42438%0.381SS..Hα-helixtrans-59.8-46179.1-177.864000111.1F29 T60 E61 L62 S68 I81F29-L64 HydrophobicContact CE1-CD1 4.34Å; F29-L64 HydrophobicContact CE2-CB 4.13Å; F29-L64 HydrophobicContact CE2-CD1 4.17Å; F29-L64 HydrophobicContact CZ-CB 3.92Å; F29-L64 HydrophobicContact CZ-CD1 3.87Å; T60-L64 VanDerWaalsContact O-CB 3.28Å; T60-L64 WeakPolarHBondContact O-CB 3.27Å; T60-L64 PolarHBondContact O-N 3.25Å; E61-L64 WeakPolarHBondContact O-CB 3.22Å; E61-L64 PolarHBondContact O-N 2.58Å; L62-L64 VanDerWaalsContact C-N 3.3Å; L62-L64 PolarHBondContact O-N 3.06Å; L64-S68 WeakPolarHBondContact O-CB 3.4Å; L64-S68 PolarHBondContact O-N 3.06Å; L64-I81 HydrophobicContact CD1-CD1 3.55Å
65I94.1Very high86.4Confident108 Ų10872.1 Ų72.155%0.55441%0.406SS*.Hα-helixtrans-61.7-49178-67.8163.6000110.2E61 L62 A63 T69E61-I65 VanDerWaalsContact O-CG1 3.31Å; E61-I65 WeakPolarHBondContact O-CG1 3.3Å; E61-I65 PolarHBondContact O-N 2.9Å; L62-I65 PolarHBondContact O-N 2.92Å; A63-I65 VanDerWaalsContact C-N 3.34Å; A63-I65 PolarHBondContact O-N 3.34Å; I65-T69 VanDerWaalsContact O-CB 3.26Å; I65-T69 WeakPolarHBondContact O-CB 3.37Å; I65-T69 PolarHBondContact O-N 3.36Å; I65-T69 PolarHBondContact O-OG1 3.45Å
66Q93.4Very high86.8Confident72 Ų7272.7 Ų72.734%0.33640%0.404SS..Hα-helixtrans-66.5-46.8-176.3-72.3-173.9-14.800112.5L62 A63 T69 A70L62-Q66 WeakPolarHBondContact O-CG 3.3Å; L62-Q66 PolarHBondContact O-N 3Å; A63-Q66 PolarHBondContact O-N 3.43Å; Q66-T69 PolarHBondContact O-N 3.04Å; Q66-A70 WeakPolarHBondContact O-CB 3.47Å; Q66-A70 PolarHBondContact O-N 2.95Å
67V94.1Very high87.1Confident0 Ų069.8 Ų69.80%039%0.392CS..Hα-helixtrans-65.2-44.7178.2176.50000110.8F29 I31 V47 A63 T69 A70 C71 I81 F134 W135F29-V67 HydrophobicContact CD2-CB 4.22Å; F29-V67 HydrophobicContact CD2-CG1 4.24Å; F29-V67 HydrophobicContact CD2-CG2 4.17Å; I31-V67 HydrophobicContact CD1-CG1 3.66Å; V47-V67 HydrophobicContact CG1-CG2 4.05Å; A63-V67 WeakPolarHBondContact O-CB 3.49Å; A63-V67 VanDerWaalsContact O-CG2 3.26Å; A63-V67 WeakPolarHBondContact O-CG2 3.26Å; A63-V67 PolarHBondContact O-N 3.03Å; V67-T69 VanDerWaalsContact C-N 3.3Å; V67-T69 PolarHBondContact O-N 3.19Å; V67-A70 PolarHBondContact O-N 3.39Å; V67-C71 WeakPolarHBondContact O-CB 3.22Å; V67-C71 PolarHBondContact O-N 3.42Å; V67-C71 PolarHBondContact O-SG 3.07Å; V67-C71 VanDerWaalsContact O-SG 3.34Å; V67-I81 HydrophobicContact CB-CD1 4.09Å; V67-I81 HydrophobicContact CG1-CD1 3.73Å; V67-I81 HydrophobicContact CG1-CG1 3.82Å; V67-F134 HydrophobicContact CG2-CE2 3.77Å; V67-F134 HydrophobicContact CG2-CZ 4.32Å; V67-W135 HydrophobicContact CG1-CH2 3.88Å; V67-W135 HydrophobicContact CG1-CZ2 4.15Å; V67-W135 HydrophobicContact CG2-CZ2 4.48Å
68S93.1Very high87.4Confident57 Ų5773.5 Ų73.540%0.39940%0.401SS..Hα-helixtrans-61.6-40.5178.1-1800000111.9L64 S72L64-S68 WeakPolarHBondContact O-CB 3.4Å; L64-S68 PolarHBondContact O-N 3.06Å; S68-S72 WeakPolarHBondContact O-CB 3.32Å; S68-S72 PolarHBondContact O-N 3.01Å; S68-S72 PolarHBondContact O-OG 2.9Å
69T93.5Very high87.7Confident61 Ų6172 Ų7237%0.37439%0.388SS..Hα-helixtrans-67.3-46.6178.1-54.40000110.6I65 Q66 V67 C71 S72 F73I65-T69 VanDerWaalsContact O-CB 3.26Å; I65-T69 WeakPolarHBondContact O-CB 3.37Å; I65-T69 PolarHBondContact O-N 3.36Å; I65-T69 PolarHBondContact O-OG1 3.45Å; Q66-T69 PolarHBondContact O-N 3.04Å; V67-T69 VanDerWaalsContact C-N 3.3Å; V67-T69 PolarHBondContact O-N 3.19Å; T69-C71 PolarHBondContact O-N 3.38Å; T69-S72 WeakPolarHBondContact O-CB 3.35Å; T69-S72 PolarHBondContact O-N 3.19Å; T69-S72 VanDerWaalsContact O-N 3.09Å; T69-F73 HydrophobicContact CG2-CD2 3.74Å; T69-F73 HydrophobicContact CG2-CE2 3.35Å; T69-F73 HydrophobicContact CG2-CZ 4.36Å; T69-F73 WeakPolarHBondContact O-CD2 3.27Å; T69-F73 PolarHBondContact O-N 2.83Å
70A91.1Very high88Confident38 Ų3874.2 Ų74.231%0.31440%0.398SS..Hα-helixtrans-60.2-44.7177.200000112.5Q66 V67 S72 F73 D74 W135Q66-A70 WeakPolarHBondContact O-CB 3.47Å; Q66-A70 PolarHBondContact O-N 2.95Å; V67-A70 PolarHBondContact O-N 3.39Å; A70-S72 VanDerWaalsContact C-N 3.25Å; A70-S72 PolarHBondContact O-N 3.11Å; A70-F73 PolarHBondContact O-N 3.04Å; A70-D74 PolarHBondContact O-N 2.92Å; A70-W135 HydrophobicContact CB-CZ2 3.63Å
71C90.6Very high88.3Confident8 Ų875 Ų755%0.05440%0.4CS..Hα-helixtrans-59.7-35.3173.4-75.30000112.9V67 T69 L79V67-C71 WeakPolarHBondContact O-CB 3.22Å; V67-C71 PolarHBondContact O-N 3.42Å; V67-C71 PolarHBondContact O-SG 3.07Å; V67-C71 VanDerWaalsContact O-SG 3.34Å; T69-C71 PolarHBondContact O-N 3.38Å; C71-L79 HydrophobicContact CB-CB 4.46Å; C71-L79 WeakPolarHBondContact CB-O 3.36Å
72S87.8Confident88.5Confident89 Ų8971.8 Ų71.862%0.62239%0.388SS*.Hα-helixtrans-74.9-27.8178.9-57.10000112.9S68 T69 A70S68-S72 WeakPolarHBondContact O-CB 3.32Å; S68-S72 PolarHBondContact O-N 3.01Å; S68-S72 PolarHBondContact O-OG 2.9Å; T69-S72 WeakPolarHBondContact O-CB 3.35Å; T69-S72 PolarHBondContact O-N 3.19Å; T69-S72 VanDerWaalsContact O-N 3.09Å; A70-S72 VanDerWaalsContact C-N 3.25Å; A70-S72 PolarHBondContact O-N 3.11Å
73F86.1Confident88.5Confident162 Ų16270 Ų7071%0.71139%0.386SS*.Hα-helixtrans-73.9-31.1177.1-84.8-63.2000113.2T69 A70 T75T69-F73 HydrophobicContact CG2-CD2 3.74Å; T69-F73 HydrophobicContact CG2-CE2 3.35Å; T69-F73 HydrophobicContact CG2-CZ 4.36Å; T69-F73 WeakPolarHBondContact O-CD2 3.27Å; T69-F73 PolarHBondContact O-N 2.83Å; A70-F73 PolarHBondContact O-N 3.04Å; F73-T75 VanDerWaalsContact C-N 3.3Å; F73-T75 PolarHBondContact O-N 2.94Å
74D81.3Confident88.5Confident69 Ų6974.9 Ų74.937%0.36941%0.405SS..  trans-77.682.4175.3-170.4-2000111.1A70 N76 S77 K78A70-D74 PolarHBondContact O-N 2.92Å; D74-N76 PolarHBondContact O-N 3.14Å; D74-N76 PolarHBondContact OD1-N 3.46Å; D74-S77 PolarHBondContact O-N 3.33Å; D74-S77 PolarHBondContact OD1-N 3.05Å; D74-S77 PolarHBondContact OD1-OG 3.49Å; D74-S77 WeakPolarHBondContact OD2-CB 3.48Å; D74-S77 PolarHBondContact OD2-OG 2.75Å; D74-K78 PolarHBondContact O-N 2.96Å
75T71.1Confident88.5Confident117 Ų11772 Ų7272%0.71839%0.388SS*.THydrogen-bonded Turntrans-63.5-20.2179.6450000113.5F73F73-T75 VanDerWaalsContact C-N 3.3Å; F73-T75 PolarHBondContact O-N 2.94Å
76N74.9Confident88.3Confident153 Ų15371.9 Ų71.982%0.81839%0.385SS*.THydrogen-bonded Turntrans-79.8-40.5-176.8-74.3-27.1000111.9D74D74-N76 PolarHBondContact O-N 3.14Å; D74-N76 PolarHBondContact OD1-N 3.46Å
77S74.6Confident88.1Confident32 Ų3269.3 Ų69.322%0.22438%0.376CS..THydrogen-bonded Turntrans-92.9-19.3-171.965.10000114.1H33 D74 L79H33-S77 PolarHBondContact CD2-O 3.02Å; H33-S77 PolarHBondContact NE2-O 3.23Å; D74-S77 PolarHBondContact O-N 3.33Å; D74-S77 PolarHBondContact OD1-N 3.05Å; D74-S77 PolarHBondContact OD1-OG 3.49Å; D74-S77 WeakPolarHBondContact OD2-CB 3.48Å; D74-S77 PolarHBondContact OD2-OG 2.75Å; S77-L79 PolarHBondContact O-N 2.87Å; S77-L79 WeakPolarHBondContact OG-CD1 3.34Å; S77-L79 VanDerWaalsContact OG-CG 3.25Å; S77-L79 WeakPolarHBondContact OG-CG 3.37Å
78K83.9Confident87.6Confident166 Ų16672.1 Ų72.172%0.72239%0.391SS*.  trans49.740.6-175.5-64-176.4178.7179.70112.4D74D74-K78 PolarHBondContact O-N 2.96Å
79L91.3Very high87.1Confident36 Ų3675.5 Ų75.519%0.18840%0.401CS..  trans-70.5146177.9-67.4169.8000110.6I31 V44 C71 S77I31-L79 HydrophobicContact CG2-CB 3.83Å; I31-L79 HydrophobicContact CG2-CD1 4.34Å; I31-L79 HydrophobicContact CG2-CD2 4.11Å; I31-L79 HydrophobicContact CG2-CG 4.29Å; V44-L79 HydrophobicContact CG2-CD2 3.53Å; C71-L79 HydrophobicContact CB-CB 4.46Å; C71-L79 WeakPolarHBondContact CB-O 3.36Å; S77-L79 PolarHBondContact O-N 2.87Å; S77-L79 WeakPolarHBondContact OG-CD1 3.34Å; S77-L79 VanDerWaalsContact OG-CG 3.25Å; S77-L79 WeakPolarHBondContact OG-CG 3.37Å
80Q93Very high86.6Confident103 Ų10378.9 Ų78.948%0.48141%0.412SS..EExtended strand (participates in β ladder)trans-141.6154.7177-62.7-175.5-32.300109.7I31 G32 V82I31-Q80 WeakPolarHBondContact CA-O 3.45Å; G32-Q80 PolarHBondContact N-O 3Å; G32-Q80 PolarHBondContact O-N 2.73Å; Q80-V82 PolarHBondContact O-N 3.14Å
81I94.3Very high85.8Confident51 Ų5185.2 Ų85.226%0.26244%0.44SS..EExtended strand (participates in β ladder)trans-70.7114.5166.6-59.5170.3000107.3F29 I31 L64 V67F29-I81 HydrophobicContact CB-CG2 4.11Å; F29-I81 HydrophobicContact CD1-CG2 4.11Å; F29-I81 HydrophobicContact CD2-CD1 4.08Å; F29-I81 HydrophobicContact CE2-CD1 4.42Å; F29-I81 HydrophobicContact CG-CD1 4.38Å; F29-I81 HydrophobicContact CG-CG2 4.11Å; I31-I81 HydrophobicContact CD1-CB 4.43Å; I31-I81 HydrophobicContact CD1-CG1 3.71Å; L64-I81 HydrophobicContact CD1-CD1 3.55Å; V67-I81 HydrophobicContact CB-CD1 4.09Å; V67-I81 HydrophobicContact CG1-CD1 3.73Å; V67-I81 HydrophobicContact CG1-CG1 3.82Å
82V93.2Very high85.3Confident41 Ų4193.9 Ų93.925%0.24848%0.48CS..EExtended strand (participates in β ladder)trans-107.8-11-176.3-650000113.2L30 V41 I43 Q80L30-V82 HydrophobicContact CB-CG2 4.25Å; L30-V82 VanDerWaalsContact O-CG2 3.31Å; L30-V82 WeakPolarHBondContact O-CG2 3.44Å; L30-V82 PolarHBondContact O-N 2.9Å; V41-V82 HydrophobicContact CG1-CB 3.62Å; V41-V82 HydrophobicContact CG1-CG1 3.96Å; V41-V82 HydrophobicContact CG1-CG2 3.88Å; I43-V82 HydrophobicContact CG1-CG2 3.77Å; Q80-V82 PolarHBondContact O-N 3.14Å
83G92.7Very high84.8Confident27 Ų2792 Ų9228%0.27846%0.462SS..EExtended strand (participates in β ladder)trans-172-179.9179.200000113.2L30L30-G83 PolarHBondContact N-O 3.18Å; L30-G83 PolarHBondContact O-N 3.4Å
84Y92.4Very high84Confident102 Ų10292.6 Ų92.640%0.447%0.468SS..EExtended strand (participates in β ladder)trans-134.5140177.4172.5-98.4000107.7N27 G28 F29 Q86N27-Y84 HydrophobicContact CB-CE2 3.83Å; N27-Y84 WeakPolarHBondContact CB-OH 3.4Å; N27-Y84 PolarHBondContact ND2-OH 2.93Å; G28-Y84 WeakPolarHBondContact O-CA 3.23Å; G28-Y84 VanDerWaalsContact O-CD2 3.3Å; G28-Y84 WeakPolarHBondContact O-CD2 3.28Å; F29-Y84 HydrophobicContact CD1-CD2 4.05Å; F29-Y84 HydrophobicContact CE1-CD2 4.04Å; Y84-Q86 HydrophobicContact CE1-CB 3.79Å
85Y91.9Very high83.4Confident20 Ų2094.1 Ų94.18%0.07848%0.479CS..EExtended strand (participates in β ladder)trans-118.5149.8171.574.9-94.1000109.8V14 H17 N27 G28 L30 A46 P48V14-Y85 HydrophobicContact CB-CD2 4.42Å; V14-Y85 HydrophobicContact CB-CE2 4.36Å; V14-Y85 HydrophobicContact CG1-CD2 3.75Å; V14-Y85 HydrophobicContact CG1-CE2 4Å; V14-Y85 HydrophobicContact CG1-CG 4.18Å; V14-Y85 HydrophobicContact CG2-CD1 3.7Å; V14-Y85 HydrophobicContact CG2-CD2 4.1Å; V14-Y85 HydrophobicContact CG2-CE1 3.77Å; V14-Y85 HydrophobicContact CG2-CE2 4.16Å; V14-Y85 HydrophobicContact CG2-CG 3.86Å; H17-Y85 AromaticContact ND1-CE2 4Å; H17-Y85 AromaticContact ND1-CZ 3.86Å; H17-Y85 PolarHBondContact ND1-OH 2.75Å; N27-Y85 VanDerWaalsContact CA-O 3.29Å; N27-Y85 WeakPolarHBondContact CA-O 3.45Å; N27-Y85 WeakPolarHBondContact CB-O 3.41Å; G28-Y85 VanDerWaalsContact C-CE1 3.45Å; G28-Y85 PolarHBondContact N-O 3.38Å; G28-Y85 VanDerWaalsContact O-CD1 3.28Å; G28-Y85 WeakPolarHBondContact O-CD1 2.98Å; G28-Y85 PolarHBondContact O-N 3.37Å; L30-Y85 HydrophobicContact CD2-CD1 3.78Å; L30-Y85 HydrophobicContact CG-CD1 4.22Å; A46-Y85 HydrophobicContact CB-CE1 4.14Å; P48-Y85 WeakPolarHBondContact CA-OH 2.69Å
86Q90.2Very high83Confident106 Ų10693.7 Ų93.750%0.49547%0.472SS..EExtended strand (participates in β ladder)trans-141126.6171.9-176.3172.1200107.7C25 V26 N27 Y84C25-Q86 VanDerWaalsContact SG-CG 3.58Å; C25-Q86 PolarHBondContact SG-NE2 3.38Å; C25-Q86 VanDerWaalsContact SG-NE2 3.36Å; V26-Q86 WeakPolarHBondContact O-CA 3.32Å; N27-Q86 HydrophobicContact CB-CB 4.45Å; N27-Q86 HydrophobicContact CB-CG 4.48Å; Y84-Q86 HydrophobicContact CE1-CB 3.79Å
87A88.4Confident82.1Confident17 Ų1795.7 Ų95.714%0.1447%0.473CS..EExtended strand (participates in β ladder)trans-105.5111.217000000106.7A18 C25 V26A18-A87 HydrophobicContact CB-CB 4.19Å; C25-A87 WeakPolarHBondContact CA-O 3.43Å; C25-A87 PolarHBondContact SG-O 2.79Å; V26-A87 HydrophobicContact CG2-CB 3.71Å; V26-A87 PolarHBondContact N-O 3.17Å; V26-A87 PolarHBondContact O-N 2.82Å
88N84.4Confident81.5Confident59 Ų5997.8 Ų97.832%0.31648%0.482SS..  trans-72164.9179.466.464.4000111.6Q90 D93N88-Q90 VanDerWaalsContact C-N 3.33Å; N88-Q90 WeakPolarHBondContact OD1-CB 3.38Å; N88-Q90 PolarHBondContact OD1-N 3.38Å; N88-D93 PolarHBondContact ND2-OD2 3.26Å
89E82.6Confident80.4Confident128 Ų12897.3 Ų97.360%0.59849%0.487SS*.SBendtrans-89.93.9-17964.5-169.4-174.400113.5C24 C25 L91C24-E89 WeakPolarHBondContact CA-OE2 3.26Å; C25-E89 PolarHBondContact N-OE2 3.22Å; E89-L91 PolarHBondContact O-N 3.28Å
90Q82.8Confident78.8Confident132 Ų132102.4 Ų102.462%0.61752%0.515SS*.  trans-80.4109.9-175.9-59.9-175.1-92.700109.4N88 E92 D93N88-Q90 VanDerWaalsContact C-N 3.33Å; N88-Q90 WeakPolarHBondContact OD1-CB 3.38Å; N88-Q90 PolarHBondContact OD1-N 3.38Å; Q90-E92 PolarHBondContact O-N 3.13Å; Q90-E92 VanDerWaalsContact O-N 3.14Å; Q90-D93 HydrophobicContact CB-CB 3.94Å; Q90-D93 WeakPolarHBondContact O-CB 3.45Å; Q90-D93 PolarHBondContact O-N 2.78Å
91L74.9Confident77.5Confident172 Ų17299.3 Ų99.390%0.90150%0.504SS*.THydrogen-bonded Turntrans-58.6-29.4-179.7-174.764.8000113.4E89 D93E89-L91 PolarHBondContact O-N 3.28Å; L91-D93 VanDerWaalsContact C-N 3.32Å
92E78.7Confident76.4Confident189 Ų189107.1 Ų107.188%0.88353%0.531SS*.THydrogen-bonded Turntrans-85.9-3.2-178.2-60.3179.5-178.300113Q90 E94Q90-E92 PolarHBondContact O-N 3.13Å; Q90-E92 VanDerWaalsContact O-N 3.14Å; E92-E94 PolarHBondContact O-N 3.21Å
93D77.3Confident75.4Confident49 Ų49110 Ų11026%0.26255%0.548SS..  trans-86.893.5-179.4-168.3-6.3000111.8N88 Q90 L91 T95N88-D93 PolarHBondContact ND2-OD2 3.26Å; Q90-D93 HydrophobicContact CB-CB 3.94Å; Q90-D93 WeakPolarHBondContact O-CB 3.45Å; Q90-D93 PolarHBondContact O-N 2.78Å; L91-D93 VanDerWaalsContact C-N 3.32Å; D93-T95 VanDerWaalsContact C-N 3.34Å; D93-T95 WeakPolarHBondContact OD1-CB 3.5Å; D93-T95 WeakPolarHBondContact OD1-CG2 3.2Å; D93-T95 PolarHBondContact OD1-N 3.03Å; D93-T95 PolarHBondContact OD1-OG1 3.41Å; D93-T95 PolarHBondContact OD2-OG1 3.25Å
94E70.4Confident74.5Confident176 Ų176109.1 Ų109.182%0.82254%0.538SS*.  trans-9316.5173.2-59.8-172.8164.200113E92 I96E92-E94 PolarHBondContact O-N 3.21Å; E94-I96 PolarHBondContact O-N 2.85Å; E94-I96 VanDerWaalsContact O-N 3.08Å
95T69.6Low74Confident100 Ų100108.3 Ų108.361%0.61354%0.538SS*.  trans-64.9-15.7-174.258.10000114.1D93 F97D93-T95 VanDerWaalsContact C-N 3.34Å; D93-T95 WeakPolarHBondContact OD1-CB 3.5Å; D93-T95 WeakPolarHBondContact OD1-CG2 3.2Å; D93-T95 PolarHBondContact OD1-N 3.03Å; D93-T95 PolarHBondContact OD1-OG1 3.41Å; D93-T95 PolarHBondContact OD2-OG1 3.25Å; T95-F97 WeakPolarHBondContact O-CD2 3.48Å; T95-F97 PolarHBondContact O-N 3.43Å
96I62.5Low73.6Confident109 Ų109110.3 Ų110.356%0.55956%0.558SS**  trans-7895.1180-56177.9000110.2E94 L98E94-I96 PolarHBondContact O-N 2.85Å; E94-I96 VanDerWaalsContact O-N 3.08Å; I96-L98 HydrophobicContact CG2-CG 4.27Å; I96-L98 PolarHBondContact O-N 3.41Å
97F55.6Low73.2Confident194 Ų194105.9 Ų105.985%0.85154%0.54SS*.  trans-78.998.5166.5-71.3-86.6000110.1T95T95-F97 WeakPolarHBondContact O-CD2 3.48Å; T95-F97 PolarHBondContact O-N 3.43Å
98L60.7Low73.1Confident76 Ų76105.7 Ų105.740%0.39854%0.536SS..  trans-77.9132.7159-69.3170000108.1L11 I15 I96 N100L11-L98 HydrophobicContact CD1-CD1 4.09Å; L11-L98 HydrophobicContact CD1-CD2 3.4Å; L11-L98 HydrophobicContact CD1-CG 4.41Å; L11-L98 HydrophobicContact CD2-CD2 4.15Å; L11-L98 HydrophobicContact CG-CD2 4.43Å; I15-L98 HydrophobicContact CD1-CD1 3.96Å; I96-L98 HydrophobicContact CG2-CG 4.27Å; I96-L98 PolarHBondContact O-N 3.41Å; L98-N100 PolarHBondContact O-N 3.44Å
99D62.1Low73.3Confident157 Ų157110.1 Ų110.184%0.8455%0.549SS*.  trans-56.4131.7171.7-165.43.8000108.5S101D99-S101 PolarHBondContact O-N 3.47Å
100N56.2Low73.6Confident143 Ų143106.3 Ų106.377%0.76554%0.536SS*.  trans-74.646.2-166.7-75.3-39.7000112.5L98 R102L98-N100 PolarHBondContact O-N 3.44Å; N100-R102 PolarHBondContact O-N 3.49Å
101S66.7Low74Confident38 Ų38100.1 Ų100.127%0.26651%0.507SS..  trans-63.899.4169.11730000108.5D99 V103 A104 E105D99-S101 PolarHBondContact O-N 3.47Å; S101-V103 PolarHBondContact O-N 3.27Å; S101-A104 WeakPolarHBondContact O-CB 3.27Å; S101-A104 PolarHBondContact O-N 3.4Å; S101-A104 PolarHBondContact OG-N 2.84Å; S101-E105 PolarHBondContact O-N 2.93Å
102R71.2Confident74.8Confident215 Ų21594.5 Ų94.581%0.81148%0.478SS*.Hα-helixtrans-52.2-30.3175-67.5-174.6176.4-159.4-1.5112.5N100 A106N100-R102 PolarHBondContact O-N 3.49Å; R102-A106 VanDerWaalsContact O-CB 3.32Å; R102-A106 WeakPolarHBondContact O-CB 3.22Å; R102-A106 PolarHBondContact O-N 3.2Å
103V72.1Confident75.5Confident101 Ų10193.2 Ų93.261%0.61247%0.47SS*.Hα-helixtrans-69.3-49.8177.7-179.10000110.5S101 E105 A106 A107S101-V103 PolarHBondContact O-N 3.27Å; V103-E105 VanDerWaalsContact C-N 3.31Å; V103-E105 PolarHBondContact O-N 3Å; V103-A106 PolarHBondContact O-N 3.44Å; V103-A107 WeakPolarHBondContact O-CB 3.3Å; V103-A107 PolarHBondContact O-N 3.04Å
104A74.1Confident76.2Confident8 Ų896.8 Ų96.87%0.06649%0.485CS..Hα-helixtrans-58.3-47.7176.900000110.7Y8 S101 A106 A107 I108Y8-A104 HydrophobicContact CD1-CB 3.71Å; Y8-A104 HydrophobicContact CE1-CB 3.58Å; S101-A104 WeakPolarHBondContact O-CB 3.27Å; S101-A104 PolarHBondContact O-N 3.4Å; S101-A104 PolarHBondContact OG-N 2.84Å; A104-A106 PolarHBondContact O-N 3.14Å; A104-A107 PolarHBondContact O-N 2.8Å; A104-I108 HydrophobicContact CB-CD1 4.39Å; A104-I108 WeakPolarHBondContact O-CB 3.48Å; A104-I108 VanDerWaalsContact O-CD1 3.27Å; A104-I108 WeakPolarHBondContact O-CD1 3.32Å; A104-I108 VanDerWaalsContact O-CG1 3.22Å; A104-I108 WeakPolarHBondContact O-CG1 3.21Å; A104-I108 PolarHBondContact O-N 3.23Å
105E81.2Confident77.3Confident86 Ų8692.9 Ų92.940%0.40247%0.465SS..Hα-helixtrans-58.4-49180-168.7-164.7157.200111.8S101 V103 A107 I108 R109S101-E105 PolarHBondContact O-N 2.93Å; V103-E105 VanDerWaalsContact C-N 3.31Å; V103-E105 PolarHBondContact O-N 3Å; E105-A107 PolarHBondContact O-N 3.28Å; E105-I108 PolarHBondContact O-N 3.45Å; E105-R109 WeakPolarHBondContact O-CB 3.34Å; E105-R109 WeakPolarHBondContact O-CG 3.49Å; E105-R109 PolarHBondContact O-N 2.71Å; E105-R109 IonicContact OE1-CZ 2.93Å; E105-R109 IonicContact OE1-NE 3.78Å; E105-R109 PolarHBondContact OE1-NE 3.17Å; E105-R109 IonicContact OE1-NH2 2.7Å; E105-R109 PolarHBondContact OE1-NH2 2.87Å
106A83.7Confident78.5Confident61 Ų6189.2 Ų89.250%0.50444%0.442SS..Hα-helixtrans-62.3-43.1-179.700000112.2R102 V103 A104 R109 S110R102-A106 VanDerWaalsContact O-CB 3.32Å; R102-A106 WeakPolarHBondContact O-CB 3.22Å; R102-A106 PolarHBondContact O-N 3.2Å; V103-A106 PolarHBondContact O-N 3.44Å; A104-A106 PolarHBondContact O-N 3.14Å; A106-R109 PolarHBondContact O-N 2.79Å; A106-S110 PolarHBondContact O-N 3.44Å
107A82.8Confident80.1Confident14 Ų1486.6 Ų86.612%0.11643%0.425CS..Hα-helixtrans-69.2-41.1-178.800000111.5V103 A104 E105 S110 C111 L147V103-A107 WeakPolarHBondContact O-CB 3.3Å; V103-A107 PolarHBondContact O-N 3.04Å; A104-A107 PolarHBondContact O-N 2.8Å; E105-A107 PolarHBondContact O-N 3.28Å; A107-S110 VanDerWaalsContact O-CB 3.27Å; A107-S110 WeakPolarHBondContact O-CB 3.5Å; A107-S110 PolarHBondContact O-N 2.87Å; A107-S110 VanDerWaalsContact O-N 3.17Å; A107-C111 PolarHBondContact O-N 3.38Å; A107-C111 PolarHBondContact O-SG 3.43Å; A107-L147 HydrophobicContact CB-CD2 3.5Å; A107-L147 VanDerWaalsContact CB-CD2 3.5Å
108I85.7Confident82Confident12 Ų1285.3 Ų85.36%0.06242%0.415CS..Hα-helixtrans-63.9-42173.6-69.2158.1000111.2L11 I15 A104 E105 S110 C111 L112L11-I108 HydrophobicContact CD2-CD1 3.75Å; L11-I108 HydrophobicContact CG-CD1 3.9Å; I15-I108 HydrophobicContact CB-CG2 4.22Å; I15-I108 HydrophobicContact CD1-CD1 3.62Å; I15-I108 HydrophobicContact CD1-CG1 4.31Å; I15-I108 HydrophobicContact CD1-CG2 3.79Å; I15-I108 HydrophobicContact CG2-CG2 3.73Å; A104-I108 HydrophobicContact CB-CD1 4.39Å; A104-I108 WeakPolarHBondContact O-CB 3.48Å; A104-I108 VanDerWaalsContact O-CD1 3.27Å; A104-I108 WeakPolarHBondContact O-CD1 3.32Å; A104-I108 VanDerWaalsContact O-CG1 3.22Å; A104-I108 WeakPolarHBondContact O-CG1 3.21Å; A104-I108 PolarHBondContact O-N 3.23Å; E105-I108 PolarHBondContact O-N 3.45Å; I108-S110 PolarHBondContact O-N 3.02Å; I108-C111 WeakPolarHBondContact O-CB 3.37Å; I108-C111 PolarHBondContact O-N 3.17Å; I108-C111 VanDerWaalsContact O-N 3.14Å; I108-L112 HydrophobicContact CG2-CD1 4.16Å; I108-L112 HydrophobicContact CG2-CG 4.47Å; I108-L112 WeakPolarHBondContact O-CG 3.48Å; I108-L112 PolarHBondContact O-N 2.72Å
109R88.3Confident83.7Confident152 Ų15284.4 Ų84.457%0.57441%0.414SS*.Hα-helixtrans-58.6-38.3173.8-77.5176.5-178.1-73.3-0.2111.8E105 A106 L112 K113E105-R109 WeakPolarHBondContact O-CB 3.34Å; E105-R109 WeakPolarHBondContact O-CG 3.49Å; E105-R109 PolarHBondContact O-N 2.71Å; E105-R109 IonicContact OE1-CZ 2.93Å; E105-R109 IonicContact OE1-NE 3.78Å; E105-R109 PolarHBondContact OE1-NE 3.17Å; E105-R109 IonicContact OE1-NH2 2.7Å; E105-R109 PolarHBondContact OE1-NH2 2.87Å; A106-R109 PolarHBondContact O-N 2.79Å; R109-L112 PolarHBondContact O-N 2.88Å; R109-K113 WeakPolarHBondContact O-CB 3.24Å; R109-K113 PolarHBondContact O-N 3.46Å
110S89.7Confident85.4Confident49 Ų4977 Ų7734%0.34338%0.375SS..Hα-helixtrans-61.7-49.1173.3-163.50000111.2A106 A107 I108 L112 K113 E114A106-S110 PolarHBondContact O-N 3.44Å; A107-S110 VanDerWaalsContact O-CB 3.27Å; A107-S110 WeakPolarHBondContact O-CB 3.5Å; A107-S110 PolarHBondContact O-N 2.87Å; A107-S110 VanDerWaalsContact O-N 3.17Å; I108-S110 PolarHBondContact O-N 3.02Å; S110-L112 VanDerWaalsContact C-N 3.28Å; S110-L112 PolarHBondContact O-N 2.86Å; S110-K113 WeakPolarHBondContact O-CB 3.47Å; S110-K113 PolarHBondContact O-N 3.46Å; S110-K113 VanDerWaalsContact O-N 3.08Å; S110-E114 PolarHBondContact O-N 3.17Å
111C90.8Very high87.3Confident1 Ų171.2 Ų71.21%0.00735%0.345CS..Hα-helixtrans-57.7-39.9177.4-59.90000112.6L16 A107 I108 K115 L116 L143L16-C111 HydrophobicContact CD2-CB 4.17Å; A107-C111 PolarHBondContact O-N 3.38Å; A107-C111 PolarHBondContact O-SG 3.43Å; I108-C111 WeakPolarHBondContact O-CB 3.37Å; I108-C111 PolarHBondContact O-N 3.17Å; I108-C111 VanDerWaalsContact O-N 3.14Å; C111-K115 PolarHBondContact O-N 3.43Å; C111-L116 HydrophobicContact CB-CD1 3.95Å; C111-L116 HydrophobicContact CB-CG 4.49Å; C111-L116 PolarHBondContact O-N 3.07Å; C111-L143 HydrophobicContact CB-CD2 4.21Å; C111-L143 VanDerWaalsContact SG-CD2 3.53Å
112L91.5Very high88.7Confident55 Ų5569.4 Ų69.429%0.28833%0.332SS..Hα-helixtrans-67.2-41.5175.8-71.4169.6000112.1I15 L16 A19 I108 R109 S110 K115 Y117I15-L112 HydrophobicContact CG2-CD1 4.29Å; I15-L112 HydrophobicContact CG2-CD2 4.42Å; L16-L112 HydrophobicContact CD2-CD2 3.9Å; L16-L112 HydrophobicContact CD2-CG 4.39Å; A19-L112 HydrophobicContact CB-CD2 3.44Å; A19-L112 VanDerWaalsContact CB-CD2 3.44Å; I108-L112 HydrophobicContact CG2-CD1 4.16Å; I108-L112 HydrophobicContact CG2-CG 4.47Å; I108-L112 WeakPolarHBondContact O-CG 3.48Å; I108-L112 PolarHBondContact O-N 2.72Å; R109-L112 PolarHBondContact O-N 2.88Å; S110-L112 VanDerWaalsContact C-N 3.28Å; S110-L112 PolarHBondContact O-N 2.86Å; L112-K115 WeakPolarHBondContact O-CA 3.36Å; L112-K115 PolarHBondContact O-N 3.15Å; L112-Y117 HydrophobicContact CD2-CD1 4.22Å
113K92.4Very high89.9Confident162 Ų16259.1 Ų59.170%0.70429%0.293SS*.Hα-helixtrans-63.5-42.3178.4-174.4-174.6174.9-169.30111.8R109 S110 K115R109-K113 WeakPolarHBondContact O-CB 3.24Å; R109-K113 PolarHBondContact O-N 3.46Å; S110-K113 WeakPolarHBondContact O-CB 3.47Å; S110-K113 PolarHBondContact O-N 3.46Å; S110-K113 VanDerWaalsContact O-N 3.08Å; K113-K115 PolarHBondContact O-N 3.02Å
114E93Very high90.9Very high124 Ų12454.3 Ų54.358%0.57926%0.264SS*.THydrogen-bonded Turntrans-73.9-2174-62.1-49.7128.100112.8S110 L116S110-E114 PolarHBondContact O-N 3.17Å; E114-L116 HydrophobicContact CB-CD2 4.16Å; E114-L116 HydrophobicContact CB-CG 4.12Å; E114-L116 PolarHBondContact O-N 2.82Å
115K94Very high91.9Very high93 Ų9355.1 Ų55.140%0.40427%0.267SS..THydrogen-bonded Turntrans56.836.2177.9-50.5-179.7-174.9173.20112.7C111 L112 K113 Y117 R118C111-K115 PolarHBondContact O-N 3.43Å; L112-K115 WeakPolarHBondContact O-CA 3.36Å; L112-K115 PolarHBondContact O-N 3.15Å; K113-K115 PolarHBondContact O-N 3.02Å; K115-Y117 HydrophobicContact CB-CD1 4.36Å; K115-Y117 HydrophobicContact CB-CE1 3.77Å; K115-Y117 HydrophobicContact CG-CE1 4.01Å; K115-Y117 PolarHBondContact O-N 2.91Å; K115-Y117 VanDerWaalsContact O-N 3.09Å; K115-R118 HydrophobicContact CB-CG 4.17Å; K115-R118 VanDerWaalsContact CD-CZ 3.49Å; K115-R118 VanDerWaalsContact O-CB 3.29Å; K115-R118 WeakPolarHBondContact O-CB 3.36Å; K115-R118 WeakPolarHBondContact O-CG 3.27Å; K115-R118 PolarHBondContact O-N 3.13Å
116L95Very high92.6Very high24 Ų2452.5 Ų52.513%0.12626%0.255CS..G310 helixtrans-60.3-20.5177.9-60.7-173.7000112.3L16 C111 E114 R118 S119 L120 L139 L143L16-L116 HydrophobicContact CD1-CB 4.03Å; C111-L116 HydrophobicContact CB-CD1 3.95Å; C111-L116 HydrophobicContact CB-CG 4.49Å; C111-L116 PolarHBondContact O-N 3.07Å; E114-L116 HydrophobicContact CB-CD2 4.16Å; E114-L116 HydrophobicContact CB-CG 4.12Å; E114-L116 PolarHBondContact O-N 2.82Å; L116-R118 PolarHBondContact O-N 3.41Å; L116-R118 VanDerWaalsContact O-N 3.07Å; L116-S119 PolarHBondContact O-N 3.3Å; L116-S119 PolarHBondContact O-OG 3.05Å; L116-L120 PolarHBondContact O-N 2.63Å; L116-L139 HydrophobicContact CB-CD1 4.04Å; L116-L143 HydrophobicContact CD1-CD2 3.86Å
117Y95.2Very high93Very high54 Ų5452.1 Ų52.121%0.21224%0.244CC..G310 helixtrans-58.7-20170.762.6-97.8000113.2L16 A19 K20 L112 K115L16-Y117 HydrophobicContact CD2-CD1 4.48Å; L16-Y117 VanDerWaalsContact O-CB 3.23Å; L16-Y117 WeakPolarHBondContact O-CB 3.35Å; A19-Y117 HydrophobicContact CB-CD1 4.2Å; A19-Y117 HydrophobicContact CB-CG 4.2Å; K20-Y117 HydrophobicContact CB-CD2 4.29Å; K20-Y117 VanDerWaalsContact CD-O 3.26Å; K20-Y117 WeakPolarHBondContact CD-O 3.39Å; K20-Y117 WeakPolarHBondContact CG-O 3.45Å; L112-Y117 HydrophobicContact CD2-CD1 4.22Å; K115-Y117 HydrophobicContact CB-CD1 4.36Å; K115-Y117 HydrophobicContact CB-CE1 3.77Å; K115-Y117 HydrophobicContact CG-CE1 4.01Å; K115-Y117 PolarHBondContact O-N 2.91Å; K115-Y117 VanDerWaalsContact O-N 3.09Å
118R96Very high93.4Very high167 Ų16757.8 Ų57.863%0.6327%0.268SS*.G310 helixtrans-73.2-28176-67.2178172.7-169.8-8.4113.3K115 L116K115-R118 HydrophobicContact CB-CG 4.17Å; K115-R118 VanDerWaalsContact CD-CZ 3.49Å; K115-R118 VanDerWaalsContact O-CB 3.29Å; K115-R118 WeakPolarHBondContact O-CB 3.36Å; K115-R118 WeakPolarHBondContact O-CG 3.27Å; K115-R118 PolarHBondContact O-N 3.13Å; L116-R118 PolarHBondContact O-N 3.41Å; L116-R118 VanDerWaalsContact O-N 3.07Å
119S95.7Very high93.9Very high56 Ų5660.7 Ų60.739%0.39228%0.284SS..THydrogen-bonded Turntrans-90.7-8.9177.453.20000112.8L116 T121L116-S119 PolarHBondContact O-N 3.3Å; L116-S119 PolarHBondContact O-OG 3.05Å; S119-T121 PolarHBondContact O-N 3.29Å
120L97.6Very high94.2Very high1 Ų158.8 Ų58.81%0.00529%0.289CS..  trans-65.2126.3174.7-175.5139.2000110.1L16 H17 K20 P48 L116 N136 L139L16-L120 HydrophobicContact CB-CD1 3.88Å; H17-L120 HydrophobicContact CB-CD1 4.38Å; H17-L120 HydrophobicContact CB-CD2 4.21Å; K20-L120 HydrophobicContact CD-CB 4.5Å; K20-L120 HydrophobicContact CD-CD2 4.15Å; K20-L120 WeakPolarHBondContact CE-O 3.32Å; K20-L120 PolarHBondContact NZ-O 2.83Å; P48-L120 HydrophobicContact CB-CD2 3.99Å; P48-L120 HydrophobicContact CG-CD1 3.94Å; P48-L120 HydrophobicContact CG-CD2 3.94Å; P48-L120 HydrophobicContact CG-CG 4.09Å; L116-L120 PolarHBondContact O-N 2.63Å; L120-N136 VanDerWaalsContact CA-OD1 3.32Å; L120-N136 WeakPolarHBondContact CA-OD1 3.37Å; L120-L139 HydrophobicContact CB-CD2 3.8Å; L120-L139 HydrophobicContact CD1-CD2 4.18Å; L120-L139 HydrophobicContact CG-CD2 4.26Å
121T97.5Very high94.5Very high22 Ų2260.9 Ų60.914%0.13530%0.304CS..  trans-105.2127.7172.4-66.50000108.5S119 D125 L132 D133 F134 N136S119-T121 PolarHBondContact O-N 3.29Å; T121-D125 HydrophobicContact CG2-CB 3.96Å; T121-L132 HydrophobicContact CG2-CB 3.6Å; T121-D133 WeakPolarHBondContact CB-O 3.44Å; T121-F134 HydrophobicContact CG2-CB 4.3Å; T121-N136 PolarHBondContact N-OD1 3.35Å; T121-N136 PolarHBondContact O-ND2 3.44Å
122D96.2Very high94.8Very high0 Ų063.9 Ų63.90%032%0.319CS..  trans-100.5-179.4170.272.310.5000112.1H17 Y21 P48 H51 D124 D125 H126H17-D122 IonicContact NE2-OD2 3.83Å; H17-D122 PolarHBondContact NE2-OD2 2.84Å; Y21-D122 VanDerWaalsContact CE2-OD2 3.27Å; Y21-D122 WeakPolarHBondContact CE2-OD2 3.42Å; P48-D122 HydrophobicContact CB-CB 3.66Å; H51-D122 IonicContact CE1-OD1 3.5Å; H51-D122 IonicContact CE1-OD2 3.18Å; H51-D122 IonicContact CG-OD2 2.66Å; H51-D122 IonicContact ND1-OD1 3.58Å; H51-D122 IonicContact ND1-OD2 2.79Å; H51-D122 PolarHBondContact ND1-OD2 3.03Å; D122-D124 WeakPolarHBondContact OD1-CB 3.41Å; D122-D124 PolarHBondContact OD1-N 3.48Å; D122-D124 VanDerWaalsContact OD1-N 3.15Å; D122-D125 PolarHBondContact N-OD2 3.16Å; D122-D125 PolarHBondContact O-N 3.28Å; D122-D125 VanDerWaalsContact OD1-CG 3.23Å; D122-D125 PolarHBondContact OD1-N 2.74Å; D122-H126 PolarHBondContact O-N 3.21Å; D122-H126 VanDerWaalsContact O-N 3.13Å
123F95.3Very high95Very high0 Ų064 Ų640%032%0.321CS..Hα-helixtrans-68.7-35.8-179.2-166.8-113.2000112.3P48 L49 L50 L62 A63 D125 H126 L127 F134P48-F123 PolarHBondContact O-N 2.98Å; P48-F123 VanDerWaalsContact O-N 3.14Å; L49-F123 HydrophobicContact CB-CB 4.29Å; L49-F123 HydrophobicContact CD2-CB 3.86Å; L49-F123 HydrophobicContact CD2-CG 4.26Å; L49-F123 WeakPolarHBondContact O-CA 3.34Å; L49-F123 VanDerWaalsContact O-CB 3.23Å; L49-F123 WeakPolarHBondContact O-CB 3.49Å; L49-F123 PolarHBondContact O-N 2.96Å; L50-F123 HydrophobicContact CD2-CD1 4.22Å; L62-F123 HydrophobicContact CD2-CE1 4.2Å; L62-F123 HydrophobicContact CD2-CZ 4.15Å; L62-F123 HydrophobicContact CG-CE1 4.4Å; L62-F123 HydrophobicContact CG-CZ 4.21Å; A63-F123 HydrophobicContact CB-CD1 3.72Å; A63-F123 HydrophobicContact CB-CE1 3.71Å; A63-F123 HydrophobicContact CB-CG 4.19Å; A63-F123 HydrophobicContact CB-CZ 4.21Å; F123-D125 VanDerWaalsContact C-N 3.31Å; F123-D125 PolarHBondContact O-N 3.39Å; F123-H126 WeakPolarHBondContact O-CB 3.24Å; F123-H126 PolarHBondContact O-N 3.43Å; F123-H126 VanDerWaalsContact O-N 3.17Å; F123-L127 HydrophobicContact CD1-CD1 3.89Å; F123-L127 HydrophobicContact CD1-CD2 4.48Å; F123-L127 HydrophobicContact CD1-CG 4.01Å; F123-L127 HydrophobicContact CE1-CD1 3.77Å; F123-L127 HydrophobicContact CE1-CD2 3.78Å; F123-L127 HydrophobicContact CE1-CG 3.8Å; F123-L127 HydrophobicContact CZ-CD2 3.79Å; F123-L127 HydrophobicContact CZ-CG 4.18Å; F123-L127 VanDerWaalsContact O-CG 3.3Å; F123-L127 WeakPolarHBondContact O-CG 3.42Å; F123-L127 PolarHBondContact O-N 3.17Å; F123-F134 HydrophobicContact CD2-CD1 4.22Å; F123-F134 HydrophobicContact CD2-CD2 4.14Å; F123-F134 HydrophobicContact CD2-CE1 4.35Å; F123-F134 HydrophobicContact CD2-CE2 4.31Å; F123-F134 HydrophobicContact CD2-CG 4.11Å; F123-F134 HydrophobicContact CD2-CZ 4.4Å; F123-F134 HydrophobicContact CE2-CE1 4.37Å; F123-F134 HydrophobicContact CE2-CZ 4.47Å
124D93.8Very high95.2Very high0 Ų057.1 Ų57.10%029%0.291CS..Hα-helixtrans-60.1-39.9174.2-85.8-23.2000111.8L49 L50 H51 R52 W53 D122 L127 E128L49-D124 PolarHBondContact O-N 3.07Å; L50-D124 WeakPolarHBondContact CA-OD2 3.43Å; L50-D124 VanDerWaalsContact CD2-OD1 3.24Å; L50-D124 WeakPolarHBondContact CD2-OD1 3.33Å; H51-D124 IonicContact CG-OD2 3.28Å; H51-D124 PolarHBondContact N-OD2 3.44Å; H51-D124 WeakPolarHBondContact ND1-CB 3.23Å; H51-D124 IonicContact ND1-OD2 3.53Å; R52-D124 PolarHBondContact N-OD2 2.66Å; R52-D124 PolarHBondContact NH2-O 3.2Å; W53-D124 VanDerWaalsContact CE3-OD1 3.26Å; D122-D124 WeakPolarHBondContact OD1-CB 3.41Å; D122-D124 PolarHBondContact OD1-N 3.48Å; D122-D124 VanDerWaalsContact OD1-N 3.15Å; D124-L127 PolarHBondContact O-N 2.86Å; D124-E128 PolarHBondContact O-N 2.87Å
125D95.2Very high95.3Very high25 Ų2553.9 Ų53.913%0.13427%0.273CS..Hα-helixtrans-63.9-44.1173.3-64.5-34.1000111K20 Y21 H51 T121 D122 F123 L127 E128 N129 L132K20-D125 IonicContact NZ-OD1 3.89Å; K20-D125 IonicContact NZ-OD2 2.65Å; K20-D125 PolarHBondContact NZ-OD2 3.23Å; Y21-D125 PolarHBondContact OH-OD1 3.33Å; Y21-D125 VanDerWaalsContact OH-OD1 3.12Å; Y21-D125 PolarHBondContact OH-OD2 3.48Å; H51-D125 IonicContact CE1-OD1 2.71Å; T121-D125 HydrophobicContact CG2-CB 3.96Å; D122-D125 PolarHBondContact N-OD2 3.16Å; D122-D125 PolarHBondContact O-N 3.28Å; D122-D125 VanDerWaalsContact OD1-CG 3.23Å; D122-D125 PolarHBondContact OD1-N 2.74Å; F123-D125 VanDerWaalsContact C-N 3.31Å; F123-D125 PolarHBondContact O-N 3.39Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 3.26Å; D125-E128 PolarHBondContact O-N 2.88Å; D125-N129 PolarHBondContact O-N 3.45Å; D125-L132 HydrophobicContact CB-CD1 4.08Å
126H95.1Very high95.4Very high30 Ų3049.8 Ų49.814%0.13926%0.255CS..Hα-helixtrans-64.2-34.5177.8178.782.3000112.8D122 F123 E128 N129 V130 L132 F134D122-H126 PolarHBondContact O-N 3.21Å; D122-H126 VanDerWaalsContact O-N 3.13Å; F123-H126 WeakPolarHBondContact O-CB 3.24Å; F123-H126 PolarHBondContact O-N 3.43Å; F123-H126 VanDerWaalsContact O-N 3.17Å; H126-E128 VanDerWaalsContact C-N 3.27Å; H126-E128 PolarHBondContact O-N 3.19Å; H126-N129 CarbonylContact O-C 3.55Å; H126-N129 PolarHBondContact O-N 2.92Å; H126-V130 PolarHBondContact CE1-O 3.27Å; H126-V130 PolarHBondContact ND1-O 3.44Å; H126-V130 VanDerWaalsContact O-CA 3.31Å; H126-V130 WeakPolarHBondContact O-CA 3.35Å; H126-V130 PolarHBondContact O-N 3.43Å; H126-L132 PolarHBondContact ND1-O 3.34Å; H126-F134 HydrophobicContact CB-CB 4.11Å; H126-F134 HydrophobicContact CB-CD1 4.12Å; H126-F134 HydrophobicContact CB-CG 4.47Å; H126-F134 AromaticContact CD2-CD1 3.96Å; H126-F134 AromaticContact CG-CD1 3.72Å; H126-F134 AromaticContact ND1-CD1 3.86Å
127L92Very high95.4Very high54 Ų5452.4 Ų52.428%0.28327%0.273SS..Hα-helixtrans-65.5-31.3175.8-73-179.9000112.4W53 M59 L62 F123 D124 D125W53-L127 HydrophobicContact CE3-CD1 4.36Å; W53-L127 HydrophobicContact CZ3-CD1 3.94Å; M59-L127 HydrophobicContact CG-CD1 4.46Å; M59-L127 HydrophobicContact SD-CD1 3.62Å; L62-L127 HydrophobicContact CD2-CD2 3.85Å; F123-L127 HydrophobicContact CD1-CD1 3.89Å; F123-L127 HydrophobicContact CD1-CD2 4.48Å; F123-L127 HydrophobicContact CD1-CG 4.01Å; F123-L127 HydrophobicContact CE1-CD1 3.77Å; F123-L127 HydrophobicContact CE1-CD2 3.78Å; F123-L127 HydrophobicContact CE1-CG 3.8Å; F123-L127 HydrophobicContact CZ-CD2 3.79Å; F123-L127 HydrophobicContact CZ-CG 4.18Å; F123-L127 VanDerWaalsContact O-CG 3.3Å; F123-L127 WeakPolarHBondContact O-CG 3.42Å; F123-L127 PolarHBondContact O-N 3.17Å; D124-L127 PolarHBondContact O-N 2.86Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 3.26Å
128E92.2Very high95.4Very high132 Ų13256.6 Ų56.662%0.61729%0.292SS*.Hα-helixtrans-77.4-38.4172.9-65.7-169.8163.600112.5R52 D124 D125 H126R52-E128 IonicContact CZ-OE1 3.14Å; R52-E128 IonicContact NH1-OE1 2.62Å; R52-E128 PolarHBondContact NH1-OE1 3.06Å; R52-E128 VanDerWaalsContact NH2-CD 3.25Å; R52-E128 IonicContact NH2-OE1 2.79Å; R52-E128 PolarHBondContact NH2-OE1 3.21Å; D124-E128 PolarHBondContact O-N 2.87Å; D125-E128 PolarHBondContact O-N 2.88Å; H126-E128 VanDerWaalsContact C-N 3.27Å; H126-E128 PolarHBondContact O-N 3.19Å
129N95.5Very high95.5Very high73 Ų7348.9 Ų48.939%0.3926%0.263SS..  trans-139.7101.8177.3-178.97.5000111D125 H126 S131 L132D125-N129 PolarHBondContact O-N 3.45Å; H126-N129 CarbonylContact O-C 3.55Å; H126-N129 PolarHBondContact O-N 2.92Å; N129-S131 PolarHBondContact ND2-OG 3.14Å; N129-S131 VanDerWaalsContact ND2-OG 3.1Å; N129-S131 PolarHBondContact O-N 3.28Å; N129-S131 WeakPolarHBondContact OD1-CB 3.4Å; N129-S131 PolarHBondContact OD1-N 2.97Å; N129-S131 VanDerWaalsContact OD1-N 3.1Å; N129-S131 PolarHBondContact OD1-OG 3.35Å; N129-L132 HydrophobicContact CB-CD1 3.98Å; N129-L132 HydrophobicContact CB-CG 3.97Å; N129-L132 WeakPolarHBondContact O-CB 3.44Å; N129-L132 WeakPolarHBondContact O-CG 3.41Å; N129-L132 PolarHBondContact O-N 2.97Å
130V94.7Very high95.4Very high113 Ų11347.4 Ų47.469%0.68525%0.251SS*.THydrogen-bonded Turntrans-62.2-11.5-178.2-60.40000114.2H126 L132H126-V130 PolarHBondContact CE1-O 3.27Å; H126-V130 PolarHBondContact ND1-O 3.44Å; H126-V130 VanDerWaalsContact O-CA 3.31Å; H126-V130 WeakPolarHBondContact O-CA 3.35Å; H126-V130 PolarHBondContact O-N 3.43Å; V130-L132 VanDerWaalsContact C-N 3.27Å
131S96.3Very high95.3Very high93 Ų9353.8 Ų53.865%0.6528%0.281SS*.THydrogen-bonded Turntrans-76.9-13.2172.881.40000113.4N129N129-S131 PolarHBondContact ND2-OG 3.14Å; N129-S131 VanDerWaalsContact ND2-OG 3.1Å; N129-S131 PolarHBondContact O-N 3.28Å; N129-S131 WeakPolarHBondContact OD1-CB 3.4Å; N129-S131 PolarHBondContact OD1-N 2.97Å; N129-S131 VanDerWaalsContact OD1-N 3.1Å; N129-S131 PolarHBondContact OD1-OG 3.35Å
132L96.8Very high95Very high64 Ų6456 Ų5634%0.33529%0.289SS..SBendtrans-81.6131.3-178.5-60.1179.9000110.4T121 D125 H126 N129 V130 F134T121-L132 HydrophobicContact CG2-CB 3.6Å; D125-L132 HydrophobicContact CB-CD1 4.08Å; H126-L132 PolarHBondContact ND1-O 3.34Å; N129-L132 HydrophobicContact CB-CD1 3.98Å; N129-L132 HydrophobicContact CB-CG 3.97Å; N129-L132 WeakPolarHBondContact O-CB 3.44Å; N129-L132 WeakPolarHBondContact O-CG 3.41Å; N129-L132 PolarHBondContact O-N 2.97Å; V130-L132 VanDerWaalsContact C-N 3.27Å; L132-F134 PolarHBondContact O-N 3.41Å
133D95.9Very high94.8Very high58 Ų5856 Ų5631%0.3129%0.289SS..  trans-86.698.7-175.3176.128.9000112.2T121 W135 N136 T137T121-D133 WeakPolarHBondContact CB-O 3.44Å; D133-W135 PolarHBondContact O-N 3.43Å; D133-W135 VanDerWaalsContact OD1-CB 3.28Å; D133-W135 WeakPolarHBondContact OD1-CB 3.44Å; D133-W135 PolarHBondContact OD1-N 3.21Å; D133-N136 PolarHBondContact O-N 3.08Å; D133-N136 PolarHBondContact OD2-N 3Å; D133-T137 WeakPolarHBondContact OD2-CB 3.31Å; D133-T137 WeakPolarHBondContact OD2-CG2 3.41Å; D133-T137 PolarHBondContact OD2-N 3.29Å; D133-T137 PolarHBondContact OD2-OG1 3.25Å
134F96Very high94.7Very high17 Ų1761.9 Ų61.98%0.07532%0.317CS..THydrogen-bonded Turntrans-73.3-10.7176.876.5-87.8000113.6V47 V67 T121 F123 H126 L132 N136V47-F134 HydrophobicContact CG1-CD2 3.51Å; V47-F134 HydrophobicContact CG1-CE2 3.67Å; V67-F134 HydrophobicContact CG2-CE2 3.77Å; V67-F134 HydrophobicContact CG2-CZ 4.32Å; T121-F134 HydrophobicContact CG2-CB 4.3Å; F123-F134 HydrophobicContact CD2-CD1 4.22Å; F123-F134 HydrophobicContact CD2-CD2 4.14Å; F123-F134 HydrophobicContact CD2-CE1 4.35Å; F123-F134 HydrophobicContact CD2-CE2 4.31Å; F123-F134 HydrophobicContact CD2-CG 4.11Å; F123-F134 HydrophobicContact CD2-CZ 4.4Å; F123-F134 HydrophobicContact CE2-CE1 4.37Å; F123-F134 HydrophobicContact CE2-CZ 4.47Å; H126-F134 HydrophobicContact CB-CB 4.11Å; H126-F134 HydrophobicContact CB-CD1 4.12Å; H126-F134 HydrophobicContact CB-CG 4.47Å; H126-F134 AromaticContact CD2-CD1 3.96Å; H126-F134 AromaticContact CG-CD1 3.72Å; H126-F134 AromaticContact ND1-CD1 3.86Å; L132-F134 PolarHBondContact O-N 3.41Å; F134-N136 PolarHBondContact O-N 3.31Å; F134-N136 PolarHBondContact O-ND2 3.01Å
135W95.2Very high94.4Very high56 Ų5666 Ų6621%0.21235%0.351CS..THydrogen-bonded Turntrans-73.8-15.1167.3-70.791.8000112.4K13 I31 V47 V67 A70 D133 T137K13-W135 PolarHBondContact NZ-O 3.06Å; I31-W135 HydrophobicContact CG1-CZ3 4.23Å; V47-W135 HydrophobicContact CG2-CD2 4.48Å; V47-W135 HydrophobicContact CG2-CE3 3.83Å; V47-W135 HydrophobicContact CG2-CH2 4.06Å; V47-W135 HydrophobicContact CG2-CZ3 3.61Å; V67-W135 HydrophobicContact CG1-CH2 3.88Å; V67-W135 HydrophobicContact CG1-CZ2 4.15Å; V67-W135 HydrophobicContact CG2-CZ2 4.48Å; A70-W135 HydrophobicContact CB-CZ2 3.63Å; D133-W135 PolarHBondContact O-N 3.43Å; D133-W135 VanDerWaalsContact OD1-CB 3.28Å; D133-W135 WeakPolarHBondContact OD1-CB 3.44Å; D133-W135 PolarHBondContact OD1-N 3.21Å; W135-T137 VanDerWaalsContact C-N 3.28Å; W135-T137 HydrophobicContact CB-CG2 4.19Å; W135-T137 PolarHBondContact O-N 2.93Å
136N97Very high93.9Very high6 Ų668 Ų683%0.03236%0.364CS..  trans57.540.1176.7-71.9-84.5000112.2L120 T121 D133 F134 K138 L139 N140L120-N136 VanDerWaalsContact CA-OD1 3.32Å; L120-N136 WeakPolarHBondContact CA-OD1 3.37Å; T121-N136 PolarHBondContact N-OD1 3.35Å; T121-N136 PolarHBondContact O-ND2 3.44Å; D133-N136 PolarHBondContact O-N 3.08Å; D133-N136 PolarHBondContact OD2-N 3Å; F134-N136 PolarHBondContact O-N 3.31Å; F134-N136 PolarHBondContact O-ND2 3.01Å; N136-K138 PolarHBondContact O-N 2.97Å; N136-L139 HydrophobicContact CB-CB 4.1Å; N136-L139 HydrophobicContact CB-CD2 4.28Å; N136-L139 CarbonylContact O-C 3.54Å; N136-L139 PolarHBondContact O-N 3.1Å; N136-L139 VanDerWaalsContact O-N 3.13Å; N136-N140 PolarHBondContact O-N 2.97Å; N136-N140 PolarHBondContact O-OD1 3.1Å
137T95Very high93.3Very high80 Ų8070.2 Ų70.249%0.49138%0.376SS..Hα-helixtrans-55.9-47.9-175.751.20000112.6D133 W135 N140 E141D133-T137 WeakPolarHBondContact OD2-CB 3.31Å; D133-T137 WeakPolarHBondContact OD2-CG2 3.41Å; D133-T137 PolarHBondContact OD2-N 3.29Å; D133-T137 PolarHBondContact OD2-OG1 3.25Å; W135-T137 VanDerWaalsContact C-N 3.28Å; W135-T137 HydrophobicContact CB-CG2 4.19Å; W135-T137 PolarHBondContact O-N 2.93Å; T137-N140 WeakPolarHBondContact O-CB 3.45Å; T137-N140 PolarHBondContact O-N 2.66Å; T137-E141 PolarHBondContact O-N 3.12Å
138K95.5Very high93.3Very high141 Ų14171 Ų7161%0.61338%0.381SS*.Hα-helixtrans-63.7-42.5175.9-175.4-176.8174.7-170.70112.5N136 N140 E141 E142N136-K138 PolarHBondContact O-N 2.97Å; K138-N140 VanDerWaalsContact C-N 3.26Å; K138-N140 PolarHBondContact O-N 2.69Å; K138-E141 WeakPolarHBondContact O-CB 3.26Å; K138-E141 PolarHBondContact O-N 2.89Å; K138-E142 WeakPolarHBondContact CE-OE1 3.29Å; K138-E142 PolarHBondContact O-N 3.09Å; K138-E142 VanDerWaalsContact O-N 3.17Å
139L96.3Very high93.4Very high6 Ų667.8 Ų67.83%0.03137%0.369CS..Hα-helixtrans-66.5-31.7177.3172.264.3000111L116 L120 N136 E141 E142 L143L116-L139 HydrophobicContact CB-CD1 4.04Å; L120-L139 HydrophobicContact CB-CD2 3.8Å; L120-L139 HydrophobicContact CD1-CD2 4.18Å; L120-L139 HydrophobicContact CG-CD2 4.26Å; N136-L139 HydrophobicContact CB-CB 4.1Å; N136-L139 HydrophobicContact CB-CD2 4.28Å; N136-L139 CarbonylContact O-C 3.54Å; N136-L139 PolarHBondContact O-N 3.1Å; N136-L139 VanDerWaalsContact O-N 3.13Å; L139-E141 VanDerWaalsContact C-N 3.35Å; L139-E141 PolarHBondContact O-N 3.06Å; L139-E142 PolarHBondContact O-N 3.29Å; L139-L143 HydrophobicContact CD1-CD1 4.18Å; L139-L143 HydrophobicContact CD1-CD2 4.41Å; L139-L143 HydrophobicContact CD1-CG 3.95Å; L139-L143 HydrophobicContact CG-CD1 3.93Å; L139-L143 HydrophobicContact CG-CG 4.18Å; L139-L143 WeakPolarHBondContact O-CB 3.24Å; L139-L143 VanDerWaalsContact O-CG 3.24Å; L139-L143 WeakPolarHBondContact O-CG 3.45Å; L139-L143 PolarHBondContact O-N 2.65Å
140N95.4Very high93.3Very high24 Ų2467.5 Ų67.513%0.12837%0.367CS..Hα-helixtrans-58.6-47.6172.6-74.7-2.5000111L9 K13 D45 N136 T137 K138 E142 L143 E144L9-N140 HydrophobicContact CD1-CB 4.04Å; K13-N140 WeakPolarHBondContact CE-OD1 3.48Å; K13-N140 PolarHBondContact NZ-ND2 3.47Å; K13-N140 PolarHBondContact NZ-OD1 3.01Å; D45-N140 PolarHBondContact OD2-ND2 3.34Å; N136-N140 PolarHBondContact O-N 2.97Å; N136-N140 PolarHBondContact O-OD1 3.1Å; T137-N140 WeakPolarHBondContact O-CB 3.45Å; T137-N140 PolarHBondContact O-N 2.66Å; K138-N140 VanDerWaalsContact C-N 3.26Å; K138-N140 PolarHBondContact O-N 2.69Å; N140-E142 VanDerWaalsContact C-N 3.31Å; N140-E142 PolarHBondContact O-N 2.9Å; N140-L143 PolarHBondContact O-N 3.07Å; N140-E144 WeakPolarHBondContact O-CB 3.37Å; N140-E144 VanDerWaalsContact O-CG 3.3Å; N140-E144 WeakPolarHBondContact O-CG 3.36Å; N140-E144 PolarHBondContact O-N 3.43Å
141E94.7Very high93.2Very high136 Ų13664.8 Ų64.864%0.63635%0.349SS*.Hα-helixtrans-59.7-42.3177.2-62.8172.1-179.900111.6T137 K138 L139 A145T137-E141 PolarHBondContact O-N 3.12Å; K138-E141 WeakPolarHBondContact O-CB 3.26Å; K138-E141 PolarHBondContact O-N 2.89Å; L139-E141 VanDerWaalsContact C-N 3.35Å; L139-E141 PolarHBondContact O-N 3.06Å; E141-A145 PolarHBondContact O-N 2.62Å; E141-A145 VanDerWaalsContact O-N 3.17Å
142E92Very high93Very high67 Ų6763.1 Ų63.131%0.31333%0.33SS..Hα-helixtrans-65.2-39.5176.6-69177.5-163.600112.1K138 L139 N140 V146K138-E142 WeakPolarHBondContact CE-OE1 3.29Å; K138-E142 PolarHBondContact O-N 3.09Å; K138-E142 VanDerWaalsContact O-N 3.17Å; L139-E142 PolarHBondContact O-N 3.29Å; N140-E142 VanDerWaalsContact C-N 3.31Å; N140-E142 PolarHBondContact O-N 2.9Å; E142-V146 WeakPolarHBondContact O-CG2 3.34Å
143L92.1Very high92.7Very high0 Ų063 Ų630%033%0.329CS..Hα-helixtrans-70.5-43.4177.8-70.6173.7000111.8A12 K13 L16 C111 L116 L139 N140 A145 V146 L147A12-L143 HydrophobicContact CB-CD1 4.19Å; A12-L143 HydrophobicContact CB-CD2 4.18Å; K13-L143 HydrophobicContact CG-CD1 4.23Å; L16-L143 HydrophobicContact CD1-CD1 4.34Å; L16-L143 HydrophobicContact CD1-CD2 3.96Å; C111-L143 HydrophobicContact CB-CD2 4.21Å; C111-L143 VanDerWaalsContact SG-CD2 3.53Å; L116-L143 HydrophobicContact CD1-CD2 3.86Å; L139-L143 HydrophobicContact CD1-CD1 4.18Å; L139-L143 HydrophobicContact CD1-CD2 4.41Å; L139-L143 HydrophobicContact CD1-CG 3.95Å; L139-L143 HydrophobicContact CG-CD1 3.93Å; L139-L143 HydrophobicContact CG-CG 4.18Å; L139-L143 WeakPolarHBondContact O-CB 3.24Å; L139-L143 VanDerWaalsContact O-CG 3.24Å; L139-L143 WeakPolarHBondContact O-CG 3.45Å; L139-L143 PolarHBondContact O-N 2.65Å; N140-L143 PolarHBondContact O-N 3.07Å; L143-A145 PolarHBondContact O-N 3.25Å; L143-V146 PolarHBondContact O-N 3.01Å; L143-L147 HydrophobicContact CB-CD1 4.18Å; L143-L147 WeakPolarHBondContact O-CB 3.4Å; L143-L147 VanDerWaalsContact O-CG 3.22Å; L143-L147 WeakPolarHBondContact O-CG 3.41Å; L143-L147 PolarHBondContact O-N 2.79Å
144E91.3Very high92.5Very high125 Ų12563.4 Ų63.458%0.58433%0.331SS*.Hα-helixtrans-63.8-25.7177.2-71-179.6172.300112.7L9 N140 V146L9-E144 HydrophobicContact CD1-CG 3.67Å; L9-E144 WeakPolarHBondContact CD1-OE1 3.35Å; N140-E144 WeakPolarHBondContact O-CB 3.37Å; N140-E144 VanDerWaalsContact O-CG 3.3Å; N140-E144 WeakPolarHBondContact O-CG 3.36Å; N140-E144 PolarHBondContact O-N 3.43Å; E144-V146 VanDerWaalsContact C-N 3.28Å
145A88.4Confident92.2Very high87 Ų8766.9 Ų66.972%0.71935%0.351SS*.THydrogen-bonded Turntrans-73.7-19.2173.400000113.5E141 L143E141-A145 PolarHBondContact O-N 2.62Å; E141-A145 VanDerWaalsContact O-N 3.17Å; L143-A145 PolarHBondContact O-N 3.25Å
146V83.8Confident92Very high65 Ų6567.8 Ų67.839%0.39436%0.362SS..THydrogen-bonded Turntrans-104.5-31.3-176.4177.90000112.5E142 L143 E144E142-V146 WeakPolarHBondContact O-CG2 3.34Å; L143-V146 PolarHBondContact O-N 3.01Å; E144-V146 VanDerWaalsContact C-N 3.28Å
147L82.6Confident91.6Very high77 Ų7773.5 Ų73.540%0.40339%0.392SS..  trans-880-175.3-63.9175.3000112.7L9 A12 A107 L143L9-L147 HydrophobicContact CB-CD1 4.39Å; A12-L147 HydrophobicContact CB-CD1 4.21Å; A107-L147 HydrophobicContact CB-CD2 3.5Å; A107-L147 VanDerWaalsContact CB-CD2 3.5Å; L143-L147 HydrophobicContact CB-CD1 4.18Å; L143-L147 WeakPolarHBondContact O-CB 3.4Å; L143-L147 VanDerWaalsContact O-CG 3.22Å; L143-L147 WeakPolarHBondContact O-CG 3.41Å; L143-L147 PolarHBondContact O-N 2.79Å

Retrieved 147 of 147 residues in 1038.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).